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 1n1y_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASLAPGSSR VELFKRKNST VPFEESNGTI RERVVHSFRI PTIVNVDGVM DATA SEQUENCE VAIADARYET SFDNSFIETA VKYSVDDGAT WNTQIAIKNS RASSVSRVMD DATA SEQUENCE ATVIVKGNKL YILVGSFNKT RNSWTQHRDG SDWEPLLVVG EVTKSAANGK DATA SEQUENCE TTATISWGKP VSLKPLFPAE FDGILTKEFV GGVGAAIVAS NGNLVYPVQI DATA SEQUENCE ADMGGRVFTK IMYSEDDGNT WKFAEGRSKF GCSEPAVLEW EGKLIINNRV DATA SEQUENCE DGNRRLVYES SDMGKTWVEA LGTLSHVWTN SPTSNQQDCQ SSFVAVTIEG DATA SEQUENCE KRVMLFTHPL NLKGRWMRDR LHLWMTDNQR IFDVGQISIG DENSGYSSVL DATA SEQUENCE YKDDKLYSLH EINTNDVYSL VFVRLIGELQ LMKSVVRTWK EEDNHLASIc DATA SEQUENCE TPVVPAXXXX XXGcGAAVPT AGLVGFLSHS ANGSVWEDVY RCVDANVANA DATA SEQUENCE ERVPNGLKFN GVGGGAVWPV ARQGQTRRYQ FANYRFTLVA TVTIDELPKG DATA SEQUENCE TSPLLGAGLE GPGDAKLLGL SYDKNRQWRP LYGAAPASPT GSWELHKKYH DATA SEQUENCE VVLTMADRQG SVYVDGQPLA GSGNTVVRGA TLPDISHFYI GGPRSKGAPT DATA SEQUENCE DSRVTVTNVV LYNRRLNSSE IRTLFLSQDM IGTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.536 177.584 -0.081 0.000 1.274 1 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 2 A N 0.467 123.255 122.820 -0.052 0.000 2.238 2 A HA 0.568 4.921 4.320 0.054 0.000 0.208 2 A C 1.034 178.571 177.584 -0.078 0.000 1.177 2 A CA 1.528 53.534 52.037 -0.051 0.000 0.804 2 A CB -0.212 18.782 19.000 -0.010 0.000 0.823 2 A HN 1.989 nan 8.150 nan 0.000 0.482 3 S N -1.756 113.895 115.700 -0.081 0.000 2.638 3 S HA 0.494 4.997 4.470 0.054 0.000 0.274 3 S C -0.989 173.567 174.600 -0.075 0.000 1.157 3 S CA -0.739 57.417 58.200 -0.073 0.000 0.826 3 S CB 0.658 63.834 63.200 -0.040 0.000 1.139 3 S HN 0.629 nan 8.310 nan 0.000 0.474 4 L N 3.347 124.535 121.223 -0.058 0.000 2.747 4 L HA 0.298 4.670 4.340 0.054 0.000 0.286 4 L C 0.606 177.452 176.870 -0.040 0.000 1.216 4 L CA 0.878 55.691 54.840 -0.044 0.000 0.930 4 L CB -0.699 41.351 42.059 -0.016 0.000 1.216 4 L HN 0.751 nan 8.230 nan 0.000 0.486 5 A N 7.252 130.045 122.820 -0.045 0.000 2.531 5 A HA 0.383 4.736 4.320 0.054 0.000 0.236 5 A C -2.089 175.478 177.584 -0.027 0.000 1.062 5 A CA -0.921 51.094 52.037 -0.036 0.000 0.760 5 A CB -0.838 18.140 19.000 -0.037 0.000 0.995 5 A HN 0.752 nan 8.150 nan 0.000 0.501 6 P HA 0.219 nan 4.420 nan 0.000 0.264 6 P C 1.057 178.346 177.300 -0.018 0.000 1.183 6 P CA 1.905 64.995 63.100 -0.017 0.000 0.763 6 P CB 0.516 32.209 31.700 -0.013 0.000 0.807 7 G N 1.267 110.058 108.800 -0.016 0.000 2.175 7 G HA2 -0.207 3.785 3.960 0.054 0.000 0.244 7 G HA3 -0.207 3.785 3.960 0.054 0.000 0.244 7 G C 0.315 175.202 174.900 -0.022 0.000 0.982 7 G CA 0.016 45.106 45.100 -0.017 0.000 0.641 7 G HN 0.595 nan 8.290 nan 0.000 0.527 8 S N -0.146 115.539 115.700 -0.024 0.000 2.638 8 S HA 0.900 5.402 4.470 0.054 0.000 0.298 8 S C 0.197 174.783 174.600 -0.023 0.000 1.111 8 S CA 0.284 58.465 58.200 -0.031 0.000 1.027 8 S CB 2.076 65.254 63.200 -0.036 0.000 1.064 8 S HN 1.510 nan 8.310 nan 0.000 0.525 9 S N 1.028 116.710 115.700 -0.029 0.000 2.656 9 S HA 0.862 5.364 4.470 0.054 0.000 0.273 9 S C -1.132 173.447 174.600 -0.035 0.000 1.168 9 S CA -1.275 56.912 58.200 -0.021 0.000 0.817 9 S CB 1.831 65.025 63.200 -0.010 0.000 1.146 9 S HN 0.973 nan 8.310 nan 0.000 0.475 10 R N -1.136 119.352 120.500 -0.020 0.000 2.716 10 R HA 0.825 5.197 4.340 0.054 0.000 0.271 10 R C -1.661 174.644 176.300 0.008 0.000 1.028 10 R CA -1.047 55.038 56.100 -0.025 0.000 0.883 10 R CB 1.196 31.481 30.300 -0.024 0.000 1.250 10 R HN 1.184 nan 8.270 nan 0.000 0.465 11 V N -2.157 117.778 119.914 0.035 0.000 2.962 11 V HA 0.510 4.662 4.120 0.054 0.000 0.313 11 V C -0.384 175.719 176.094 0.016 0.000 1.099 11 V CA -0.940 61.384 62.300 0.039 0.000 0.971 11 V CB 1.941 33.809 31.823 0.075 0.000 1.028 11 V HN 0.993 nan 8.190 nan 0.000 0.430 12 E N 1.741 121.933 120.200 -0.014 0.000 1.852 12 E HA 0.163 4.545 4.350 0.054 0.000 0.276 12 E C 0.768 177.304 176.600 -0.106 0.000 1.163 12 E CA -0.375 56.004 56.400 -0.035 0.000 1.117 12 E CB 0.668 30.355 29.700 -0.021 0.000 1.124 12 E HN 0.748 nan 8.360 nan 0.000 0.458 13 L N 3.590 124.722 121.223 -0.152 0.000 1.970 13 L HA -0.110 4.263 4.340 0.054 0.000 0.212 13 L C 0.179 176.672 176.870 -0.627 0.000 1.071 13 L CA 1.898 56.481 54.840 -0.428 0.000 0.751 13 L CB -0.127 41.610 42.059 -0.535 0.000 0.889 13 L HN 0.363 nan 8.230 nan 0.000 0.432 14 F N 0.947 120.647 119.950 -0.417 0.000 2.351 14 F HA 0.326 4.885 4.527 0.054 0.000 0.362 14 F C 0.529 176.149 175.800 -0.301 0.000 1.131 14 F CA -0.519 57.101 58.000 -0.632 0.000 1.187 14 F CB 0.166 38.648 39.000 -0.864 0.000 1.434 14 F HN -0.102 nan 8.300 nan 0.000 0.553 15 K N 4.703 125.052 120.400 -0.085 0.000 2.276 15 K HA 0.266 4.618 4.320 0.054 0.000 0.285 15 K C 0.382 177.118 176.600 0.227 0.000 1.062 15 K CA -0.697 55.626 56.287 0.061 0.000 0.918 15 K CB 0.632 33.130 32.500 -0.004 0.000 1.055 15 K HN 0.592 nan 8.250 nan 0.000 0.477 16 R N 3.649 124.278 120.500 0.215 0.000 2.679 16 R HA 0.035 4.407 4.340 0.054 0.000 0.268 16 R C -0.547 175.794 176.300 0.067 0.000 1.044 16 R CA -0.134 56.072 56.100 0.177 0.000 1.105 16 R CB 0.192 30.553 30.300 0.102 0.000 0.989 16 R HN 0.638 nan 8.270 nan 0.000 0.447 17 K N 0.567 120.970 120.400 0.005 0.000 3.078 17 K HA -0.307 4.045 4.320 0.054 0.000 0.261 17 K C -0.002 176.607 176.600 0.014 0.000 0.947 17 K CA 1.214 57.480 56.287 -0.036 0.000 0.702 17 K CB -0.864 31.571 32.500 -0.108 0.000 1.318 17 K HN 0.880 nan 8.250 nan 0.000 0.473 18 N N -1.067 117.673 118.700 0.067 0.000 2.340 18 N HA -0.023 4.749 4.740 0.054 0.000 0.287 18 N C -0.685 174.871 175.510 0.077 0.000 0.834 18 N CA 0.045 53.128 53.050 0.055 0.000 0.906 18 N CB 0.613 39.121 38.487 0.035 0.000 1.857 18 N HN 0.069 nan 8.380 nan 0.000 1.030 19 S N 1.351 117.127 115.700 0.127 0.000 2.549 19 S HA 0.266 4.768 4.470 0.054 0.000 0.283 19 S C 0.342 175.052 174.600 0.183 0.000 1.320 19 S CA -0.087 58.178 58.200 0.108 0.000 1.058 19 S CB 1.186 64.402 63.200 0.028 0.000 0.882 19 S HN 0.458 nan 8.310 nan 0.000 0.498 20 T N -0.933 113.691 114.554 0.117 0.000 2.940 20 T HA 0.768 5.151 4.350 0.054 0.000 0.288 20 T C -0.260 174.531 174.700 0.152 0.000 1.033 20 T CA -0.908 61.276 62.100 0.140 0.000 1.033 20 T CB 1.135 70.064 68.868 0.101 0.000 1.079 20 T HN 0.622 nan 8.240 nan 0.000 0.496 21 V N -2.038 117.991 119.914 0.192 0.000 2.841 21 V HA 0.696 4.848 4.120 0.054 0.000 0.310 21 V C -2.897 173.334 176.094 0.228 0.000 1.090 21 V CA -2.974 59.445 62.300 0.199 0.000 0.930 21 V CB 1.882 33.842 31.823 0.228 0.000 1.014 21 V HN 0.801 nan 8.190 nan 0.000 0.425 22 P HA 0.101 nan 4.420 nan 0.000 0.252 22 P C -0.496 176.927 177.300 0.206 0.000 1.694 22 P CA 0.234 63.432 63.100 0.162 0.000 1.163 22 P CB -0.462 31.301 31.700 0.105 0.000 1.934 23 F N 2.255 122.283 119.950 0.129 0.000 2.471 23 F HA 0.199 4.757 4.527 0.052 0.000 0.353 23 F C 0.550 176.390 175.800 0.067 0.000 1.113 23 F CA -0.517 57.554 58.000 0.118 0.000 1.262 23 F CB 0.797 39.870 39.000 0.122 0.000 1.146 23 F HN 0.143 nan 8.300 nan 0.000 0.578 24 E N 5.661 125.323 120.200 -0.897 0.000 2.145 24 E HA 0.177 4.559 4.350 0.054 0.000 0.270 24 E C -0.688 175.341 176.600 -0.951 0.000 0.906 24 E CA -0.790 55.210 56.400 -0.666 0.000 0.761 24 E CB 0.810 30.305 29.700 -0.342 0.000 1.116 24 E HN 0.617 nan 8.360 nan 0.000 0.408 25 E N 2.309 122.219 120.200 -0.483 0.000 2.397 25 E HA 0.060 4.442 4.350 0.054 0.000 0.254 25 E C 1.201 177.709 176.600 -0.153 0.000 1.231 25 E CA 0.604 56.871 56.400 -0.222 0.000 0.954 25 E CB 0.695 30.384 29.700 -0.019 0.000 1.024 25 E HN 0.791 nan 8.360 nan 0.000 0.481 26 S N 1.671 117.339 115.700 -0.055 0.000 2.370 26 S HA -0.240 4.262 4.470 0.054 0.000 0.226 26 S C 1.415 175.991 174.600 -0.039 0.000 1.033 26 S CA 2.153 60.331 58.200 -0.036 0.000 1.011 26 S CB -0.586 62.612 63.200 -0.003 0.000 0.852 26 S HN 0.550 nan 8.310 nan 0.000 0.457 27 N N -0.043 118.638 118.700 -0.031 0.000 2.461 27 N HA 0.312 5.084 4.740 0.054 0.000 0.188 27 N C 1.095 176.586 175.510 -0.031 0.000 1.134 27 N CA 1.188 54.224 53.050 -0.024 0.000 0.878 27 N CB -0.144 38.336 38.487 -0.012 0.000 0.972 27 N HN 0.734 nan 8.380 nan 0.000 0.456 28 G N -1.412 107.357 108.800 -0.051 0.000 2.232 28 G HA2 -0.275 3.717 3.960 0.054 0.000 0.226 28 G HA3 -0.275 3.717 3.960 0.054 0.000 0.226 28 G C 0.205 175.076 174.900 -0.048 0.000 0.996 28 G CA 0.235 45.305 45.100 -0.051 0.000 0.626 28 G HN 0.706 nan 8.290 nan 0.000 0.509 29 T N 1.077 115.609 114.554 -0.036 0.000 2.932 29 T HA 0.515 4.897 4.350 0.054 0.000 0.312 29 T C 0.435 175.117 174.700 -0.030 0.000 1.071 29 T CA 0.138 62.227 62.100 -0.019 0.000 1.128 29 T CB 0.144 69.012 68.868 -0.000 0.000 0.984 29 T HN 0.465 nan 8.240 nan 0.000 0.549 30 I N 5.604 126.171 120.570 -0.005 0.000 2.406 30 I HA 0.501 4.703 4.170 0.054 0.000 0.290 30 I C 0.206 176.357 176.117 0.056 0.000 0.999 30 I CA -0.939 60.366 61.300 0.009 0.000 1.124 30 I CB 1.587 39.593 38.000 0.010 0.000 1.289 30 I HN 0.614 nan 8.210 nan 0.000 0.441 31 R N 5.875 126.439 120.500 0.107 0.000 2.575 31 R HA 0.379 4.752 4.340 0.054 0.000 0.293 31 R C -1.099 175.301 176.300 0.167 0.000 0.983 31 R CA -0.691 55.485 56.100 0.126 0.000 0.887 31 R CB 1.961 32.339 30.300 0.130 0.000 1.184 31 R HN 0.452 nan 8.270 nan 0.000 0.445 32 E N 3.506 123.782 120.200 0.126 0.000 2.417 32 E HA -0.008 4.374 4.350 0.054 0.000 0.261 32 E C -0.444 176.243 176.600 0.145 0.000 1.000 32 E CA 0.373 56.853 56.400 0.132 0.000 0.919 32 E CB 0.924 30.678 29.700 0.090 0.000 0.955 32 E HN 0.440 nan 8.360 nan 0.000 0.455 33 R N 2.128 122.738 120.500 0.183 0.000 2.575 33 R HA 0.304 4.677 4.340 0.054 0.000 0.293 33 R C -0.689 175.710 176.300 0.165 0.000 0.983 33 R CA -0.691 55.509 56.100 0.166 0.000 0.887 33 R CB 1.147 31.555 30.300 0.178 0.000 1.184 33 R HN 0.233 nan 8.270 nan 0.000 0.445 34 V N 3.283 123.265 119.914 0.113 0.000 3.032 34 V HA 0.112 4.264 4.120 0.054 0.000 0.307 34 V C 0.005 176.149 176.094 0.083 0.000 1.097 34 V CA -0.156 62.198 62.300 0.090 0.000 1.191 34 V CB 1.160 33.015 31.823 0.052 0.000 0.964 34 V HN 0.472 nan 8.190 nan 0.000 0.494 35 V N 2.697 122.611 119.914 0.000 0.000 2.525 35 V HA 0.265 4.417 4.120 0.054 0.000 0.299 35 V C 0.775 176.751 176.094 -0.197 0.000 1.034 35 V CA -0.464 61.709 62.300 -0.211 0.000 0.863 35 V CB 1.182 32.638 31.823 -0.610 0.000 0.999 35 V HN 0.990 nan 8.190 nan 0.000 0.423 36 H N 3.124 122.060 119.070 -0.223 0.000 2.253 36 H HA -0.009 4.580 4.556 0.054 0.000 0.296 36 H C 0.562 175.767 175.328 -0.205 0.000 1.074 36 H CA 1.988 57.941 56.048 -0.159 0.000 1.263 36 H CB 0.567 30.259 29.762 -0.117 0.000 1.363 36 H HN 0.594 nan 8.280 nan 0.000 0.489 37 S N -1.276 114.393 115.700 -0.052 0.000 2.595 37 S HA 0.490 4.992 4.470 0.054 0.000 0.281 37 S C -1.388 172.926 174.600 -0.478 0.000 1.117 37 S CA -0.652 57.491 58.200 -0.095 0.000 0.873 37 S CB 2.084 65.329 63.200 0.075 0.000 1.108 37 S HN 0.200 nan 8.310 nan 0.000 0.477 38 F N 1.557 121.485 119.950 -0.037 0.000 2.460 38 F HA 0.587 5.146 4.527 0.054 0.000 0.341 38 F C 0.658 176.344 175.800 -0.189 0.000 1.130 38 F CA -0.598 57.308 58.000 -0.157 0.000 0.962 38 F CB 1.448 40.362 39.000 -0.144 0.000 1.171 38 F HN 0.216 nan 8.300 nan 0.000 0.436 39 R N 2.615 123.033 120.500 -0.136 0.000 2.905 39 R HA 0.628 5.000 4.340 0.054 0.000 0.260 39 R C -0.947 175.209 176.300 -0.240 0.000 1.086 39 R CA -1.223 54.740 56.100 -0.227 0.000 0.978 39 R CB 1.950 31.994 30.300 -0.427 0.000 1.215 39 R HN 0.533 nan 8.270 nan 0.000 0.480 40 I N -0.449 119.959 120.570 -0.269 0.000 7.474 40 I HA -0.154 4.048 4.170 0.054 0.000 0.126 40 I C -2.530 173.547 176.117 -0.067 0.000 1.805 40 I CA -0.243 60.959 61.300 -0.164 0.000 2.128 40 I CB -2.275 35.603 38.000 -0.203 0.000 3.592 40 I HN 0.427 nan 8.210 nan 0.000 0.196 41 P HA 0.672 nan 4.420 nan 0.000 0.285 41 P C -0.335 176.990 177.300 0.043 0.000 1.269 41 P CA -0.100 62.976 63.100 -0.041 0.000 0.844 41 P CB 1.734 33.418 31.700 -0.026 0.000 1.094 42 T N 1.295 115.872 114.554 0.039 0.000 3.578 42 T HA 0.419 4.801 4.350 0.054 0.000 0.343 42 T C -0.942 173.824 174.700 0.110 0.000 1.126 42 T CA -0.270 61.886 62.100 0.093 0.000 1.092 42 T CB 0.339 69.268 68.868 0.101 0.000 1.160 42 T HN 0.359 nan 8.240 nan 0.000 0.469 43 I N 4.861 125.518 120.570 0.144 0.000 2.433 43 I HA 0.823 5.025 4.170 0.054 0.000 0.292 43 I C -0.600 175.624 176.117 0.178 0.000 1.001 43 I CA -0.811 60.588 61.300 0.164 0.000 1.119 43 I CB 0.877 38.991 38.000 0.190 0.000 1.289 43 I HN 0.548 nan 8.210 nan 0.000 0.438 44 V N 3.303 123.318 119.914 0.168 0.000 3.167 44 V HA 0.645 4.797 4.120 0.054 0.000 0.310 44 V C -1.275 174.898 176.094 0.133 0.000 1.207 44 V CA -0.886 61.508 62.300 0.157 0.000 1.059 44 V CB 1.930 33.843 31.823 0.150 0.000 1.079 44 V HN 0.841 nan 8.190 nan 0.000 0.446 45 N N 0.703 119.472 118.700 0.114 0.000 2.476 45 N HA 0.584 5.356 4.740 0.054 0.000 0.257 45 N C -1.275 174.269 175.510 0.056 0.000 0.970 45 N CA -0.404 52.693 53.050 0.078 0.000 0.938 45 N CB 1.681 40.212 38.487 0.075 0.000 1.144 45 N HN 0.735 nan 8.380 nan 0.000 0.500 46 V N 3.576 123.509 119.914 0.032 0.000 2.334 46 V HA 0.268 4.421 4.120 0.054 0.000 0.281 46 V C 0.238 176.319 176.094 -0.022 0.000 1.016 46 V CA -0.678 61.625 62.300 0.006 0.000 0.832 46 V CB 0.883 32.697 31.823 -0.015 0.000 0.999 46 V HN 0.880 nan 8.190 nan 0.000 0.439 47 D N 4.461 124.851 120.400 -0.016 0.000 2.702 47 D HA -0.216 4.456 4.640 0.054 0.000 0.233 47 D C 1.314 177.593 176.300 -0.034 0.000 1.164 47 D CA 1.901 55.885 54.000 -0.028 0.000 0.638 47 D CB -1.010 39.764 40.800 -0.045 0.000 1.041 47 D HN 1.405 nan 8.370 nan 0.000 0.422 48 G N -2.202 106.583 108.800 -0.024 0.000 2.176 48 G HA2 -0.269 3.723 3.960 0.054 0.000 0.253 48 G HA3 -0.269 3.723 3.960 0.054 0.000 0.253 48 G C 0.316 175.190 174.900 -0.043 0.000 0.979 48 G CA 0.271 45.353 45.100 -0.029 0.000 0.641 48 G HN 0.769 nan 8.290 nan 0.000 0.530 49 V N 2.249 122.136 119.914 -0.044 0.000 2.398 49 V HA 0.600 4.752 4.120 0.054 0.000 0.286 49 V C 0.789 176.876 176.094 -0.013 0.000 1.026 49 V CA -0.519 61.748 62.300 -0.054 0.000 0.868 49 V CB 1.639 33.408 31.823 -0.090 0.000 0.982 49 V HN 0.348 nan 8.190 nan 0.000 0.443 50 M N 4.752 124.338 119.600 -0.023 0.000 2.200 50 M HA 0.411 4.923 4.480 0.054 0.000 0.355 50 M C -0.905 175.500 176.300 0.175 0.000 1.283 50 M CA -0.097 55.230 55.300 0.045 0.000 1.124 50 M CB 1.250 33.832 32.600 -0.029 0.000 1.625 50 M HN 0.400 nan 8.290 nan 0.000 0.463 51 V N 3.052 123.091 119.914 0.208 0.000 2.447 51 V HA 0.559 4.712 4.120 0.054 0.000 0.292 51 V C -0.299 175.940 176.094 0.243 0.000 1.021 51 V CA -0.924 61.541 62.300 0.275 0.000 0.850 51 V CB 1.380 33.346 31.823 0.240 0.000 1.005 51 V HN 0.921 nan 8.190 nan 0.000 0.426 52 A N 6.240 129.209 122.820 0.248 0.000 2.260 52 A HA 0.899 5.251 4.320 0.054 0.000 0.314 52 A C -0.736 176.927 177.584 0.133 0.000 1.257 52 A CA -0.270 51.858 52.037 0.152 0.000 0.871 52 A CB 0.298 19.350 19.000 0.087 0.000 1.166 52 A HN 0.711 nan 8.150 nan 0.000 0.522 53 I N 1.773 122.377 120.570 0.056 0.000 2.441 53 I HA 0.749 4.951 4.170 0.054 0.000 0.295 53 I C 0.435 176.476 176.117 -0.128 0.000 0.994 53 I CA 0.225 61.521 61.300 -0.007 0.000 1.144 53 I CB 2.005 40.026 38.000 0.035 0.000 1.314 53 I HN 0.824 nan 8.210 nan 0.000 0.445 54 A N 3.259 125.964 122.820 -0.191 0.000 2.586 54 A HA 0.623 4.975 4.320 0.054 0.000 0.290 54 A C -1.819 175.652 177.584 -0.190 0.000 1.086 54 A CA -0.792 51.092 52.037 -0.256 0.000 0.665 54 A CB 0.881 19.565 19.000 -0.528 0.000 1.279 54 A HN 0.506 nan 8.150 nan 0.000 0.423 55 D N 1.348 121.636 120.400 -0.186 0.000 2.348 55 D HA 0.495 5.167 4.640 0.054 0.000 0.253 55 D C 0.209 176.398 176.300 -0.184 0.000 1.161 55 D CA 0.931 54.821 54.000 -0.184 0.000 0.876 55 D CB 1.395 42.065 40.800 -0.217 0.000 1.160 55 D HN 0.798 nan 8.370 nan 0.000 0.459 56 A N 4.287 126.967 122.820 -0.234 0.000 2.444 56 A HA 0.309 4.661 4.320 0.054 0.000 0.332 56 A C 0.127 177.356 177.584 -0.591 0.000 1.430 56 A CA -0.692 51.079 52.037 -0.444 0.000 0.975 56 A CB 0.134 18.884 19.000 -0.417 0.000 1.147 56 A HN 0.408 nan 8.150 nan 0.000 0.524 57 R N 2.853 123.025 120.500 -0.547 0.000 2.296 57 R HA 0.252 4.625 4.340 0.054 0.000 0.327 57 R C -0.347 175.756 176.300 -0.329 0.000 1.137 57 R CA -0.165 55.719 56.100 -0.361 0.000 1.020 57 R CB 0.259 30.372 30.300 -0.312 0.000 1.110 57 R HN 0.821 nan 8.270 nan 0.000 0.499 58 Y N 1.247 121.463 120.300 -0.140 0.000 2.114 58 Y HA -0.237 4.344 4.550 0.053 0.000 0.284 58 Y C 2.063 177.949 175.900 -0.024 0.000 1.143 58 Y CA 1.383 59.440 58.100 -0.073 0.000 1.135 58 Y CB 0.260 38.741 38.460 0.035 0.000 0.980 58 Y HN 0.448 nan 8.280 nan 0.000 0.499 59 E N -1.163 119.128 120.200 0.151 0.000 2.251 59 E HA 0.074 4.457 4.350 0.054 0.000 0.194 59 E C 0.666 177.217 176.600 -0.081 0.000 0.964 59 E CA 0.886 57.330 56.400 0.072 0.000 0.868 59 E CB 0.496 30.225 29.700 0.049 0.000 0.828 59 E HN 0.285 nan 8.360 nan 0.000 0.481 60 T N -1.282 113.093 114.554 -0.298 0.000 2.786 60 T HA 0.142 4.524 4.350 0.054 0.000 0.316 60 T C 0.326 174.639 174.700 -0.644 0.000 1.503 60 T CA 0.071 61.742 62.100 -0.714 0.000 1.019 60 T CB 1.191 69.869 68.868 -0.317 0.000 1.415 60 T HN -0.062 nan 8.240 nan 0.000 0.496 61 S N 0.946 116.183 115.700 -0.771 0.000 2.527 61 S HA 0.256 4.758 4.470 0.054 0.000 0.222 61 S C 0.578 174.905 174.600 -0.454 0.000 0.985 61 S CA -0.202 57.668 58.200 -0.551 0.000 0.921 61 S CB -0.628 62.325 63.200 -0.411 0.000 0.772 61 S HN 0.491 nan 8.310 nan 0.000 0.529 62 F N 3.364 123.160 119.950 -0.256 0.000 2.545 62 F HA 0.214 4.773 4.527 0.054 0.000 0.348 62 F C 1.416 177.094 175.800 -0.202 0.000 1.163 62 F CA -0.903 56.970 58.000 -0.211 0.000 1.331 62 F CB 0.144 39.045 39.000 -0.164 0.000 1.138 62 F HN -0.004 nan 8.300 nan 0.000 0.602 63 D N 0.174 120.600 120.400 0.044 0.000 2.178 63 D HA -0.155 4.517 4.640 0.054 0.000 0.201 63 D C 0.348 176.612 176.300 -0.060 0.000 0.980 63 D CA 1.323 55.284 54.000 -0.064 0.000 0.842 63 D CB -0.201 40.549 40.800 -0.084 0.000 0.948 63 D HN 0.406 nan 8.370 nan 0.000 0.472 64 N N 1.131 119.814 118.700 -0.028 0.000 3.083 64 N HA 0.153 4.926 4.740 0.054 0.000 0.260 64 N C -0.437 175.081 175.510 0.014 0.000 1.163 64 N CA 0.033 53.063 53.050 -0.033 0.000 1.060 64 N CB 0.780 39.231 38.487 -0.060 0.000 1.345 64 N HN 0.068 nan 8.380 nan 0.000 0.515 65 S N -0.211 115.509 115.700 0.033 0.000 2.703 65 S HA 0.353 4.855 4.470 0.054 0.000 0.273 65 S C -0.840 173.848 174.600 0.147 0.000 1.178 65 S CA -0.874 57.377 58.200 0.084 0.000 0.838 65 S CB 0.947 64.186 63.200 0.066 0.000 1.178 65 S HN 0.145 nan 8.310 nan 0.000 0.494 66 F N 1.783 121.737 119.950 0.007 0.000 2.519 66 F HA 0.571 5.130 4.527 0.053 0.000 0.375 66 F C -0.276 175.601 175.800 0.128 0.000 1.084 66 F CA -0.711 57.313 58.000 0.039 0.000 1.147 66 F CB -0.603 38.386 39.000 -0.018 0.000 1.088 66 F HN 0.377 nan 8.300 nan 0.000 0.555 67 I N 5.020 125.489 120.570 -0.168 0.000 2.769 67 I HA 0.417 4.619 4.170 0.054 0.000 0.298 67 I C -0.887 175.128 176.117 -0.170 0.000 1.128 67 I CA -0.810 60.415 61.300 -0.125 0.000 1.031 67 I CB 2.551 40.486 38.000 -0.109 0.000 1.235 67 I HN 0.415 nan 8.210 nan 0.000 0.423 68 E N 1.941 122.084 120.200 -0.095 0.000 2.390 68 E HA 0.349 4.731 4.350 0.054 0.000 0.277 68 E C -1.426 175.114 176.600 -0.101 0.000 0.939 68 E CA -0.807 55.555 56.400 -0.064 0.000 0.769 68 E CB 2.665 32.416 29.700 0.086 0.000 1.251 68 E HN 0.441 nan 8.360 nan 0.000 0.450 69 T N 1.585 116.072 114.554 -0.112 0.000 2.738 69 T HA 0.396 4.778 4.350 0.054 0.000 0.294 69 T C -0.053 174.576 174.700 -0.118 0.000 0.914 69 T CA -0.357 61.661 62.100 -0.137 0.000 1.052 69 T CB 0.470 69.231 68.868 -0.180 0.000 0.897 69 T HN 0.461 nan 8.240 nan 0.000 0.522 70 A N 3.628 126.410 122.820 -0.063 0.000 2.286 70 A HA 0.780 5.132 4.320 0.054 0.000 0.286 70 A C -0.194 177.403 177.584 0.022 0.000 1.097 70 A CA -0.536 51.514 52.037 0.022 0.000 0.821 70 A CB 0.724 19.821 19.000 0.161 0.000 1.076 70 A HN 0.647 nan 8.150 nan 0.000 0.490 71 V N 0.911 120.882 119.914 0.094 0.000 2.971 71 V HA 0.486 4.638 4.120 0.054 0.000 0.309 71 V C -0.636 175.564 176.094 0.176 0.000 1.130 71 V CA -0.718 61.675 62.300 0.156 0.000 0.964 71 V CB 2.363 34.293 31.823 0.178 0.000 1.029 71 V HN 0.909 nan 8.190 nan 0.000 0.427 72 K N 3.883 124.404 120.400 0.202 0.000 2.613 72 K HA 0.507 4.859 4.320 0.054 0.000 0.248 72 K C -1.675 175.159 176.600 0.389 0.000 0.959 72 K CA -0.568 55.770 56.287 0.085 0.000 0.855 72 K CB 2.172 34.467 32.500 -0.343 0.000 1.143 72 K HN 0.755 nan 8.250 nan 0.000 0.437 73 Y N -0.734 119.810 120.300 0.407 0.000 2.528 73 Y HA 0.777 5.359 4.550 0.053 0.000 0.335 73 Y C -0.266 175.653 175.900 0.031 0.000 1.093 73 Y CA -1.014 57.268 58.100 0.304 0.000 1.134 73 Y CB 1.972 40.525 38.460 0.155 0.000 1.253 73 Y HN 0.358 nan 8.280 nan 0.000 0.478 74 S N 0.702 116.357 115.700 -0.075 0.000 2.564 74 S HA 0.543 5.045 4.470 0.054 0.000 0.274 74 S C -0.362 174.081 174.600 -0.262 0.000 1.124 74 S CA -0.158 57.715 58.200 -0.546 0.000 0.869 74 S CB 1.570 63.787 63.200 -1.638 0.000 1.105 74 S HN 1.313 nan 8.310 nan 0.000 0.472 75 V N -0.170 119.600 119.914 -0.241 0.000 3.502 75 V HA 0.456 4.608 4.120 0.054 0.000 0.288 75 V C -0.087 175.911 176.094 -0.161 0.000 1.461 75 V CA 0.571 62.782 62.300 -0.149 0.000 1.029 75 V CB 0.049 31.823 31.823 -0.081 0.000 0.843 75 V HN 0.785 nan 8.190 nan 0.000 0.438 76 D N -0.437 119.825 120.400 -0.230 0.000 2.980 76 D HA 0.225 4.897 4.640 0.054 0.000 0.333 76 D C -0.010 176.183 176.300 -0.178 0.000 1.356 76 D CA -0.410 53.488 54.000 -0.170 0.000 0.847 76 D CB -0.345 40.369 40.800 -0.143 0.000 1.122 76 D HN 0.168 nan 8.370 nan 0.000 0.475 77 D N 0.635 120.924 120.400 -0.185 0.000 2.733 77 D HA -0.194 4.478 4.640 0.054 0.000 0.232 77 D C 1.357 177.617 176.300 -0.067 0.000 1.161 77 D CA 1.719 55.642 54.000 -0.129 0.000 0.653 77 D CB -1.151 39.650 40.800 0.002 0.000 1.052 77 D HN 0.802 nan 8.370 nan 0.000 0.424 78 G N -1.719 106.905 108.800 -0.293 0.000 2.179 78 G HA2 -0.233 3.759 3.960 0.054 0.000 0.220 78 G HA3 -0.233 3.759 3.960 0.054 0.000 0.220 78 G C 1.149 176.037 174.900 -0.019 0.000 0.990 78 G CA 0.800 45.857 45.100 -0.073 0.000 0.646 78 G HN 0.836 nan 8.290 nan 0.000 0.517 79 A N -0.253 122.484 122.820 -0.138 0.000 1.841 79 A HA 0.442 4.794 4.320 0.054 0.000 0.214 79 A C 1.727 179.260 177.584 -0.084 0.000 1.195 79 A CA 2.663 54.667 52.037 -0.055 0.000 0.611 79 A CB -0.554 18.410 19.000 -0.061 0.000 0.835 79 A HN 1.891 nan 8.150 nan 0.000 0.443 80 T N -5.371 109.037 114.554 -0.244 0.000 2.932 80 T HA 0.582 4.964 4.350 0.054 0.000 0.289 80 T C -1.027 173.417 174.700 -0.426 0.000 1.039 80 T CA -0.714 61.273 62.100 -0.188 0.000 1.024 80 T CB 1.379 70.173 68.868 -0.123 0.000 1.090 80 T HN 0.399 nan 8.240 nan 0.000 0.496 81 W N 0.435 121.646 121.300 -0.148 0.000 3.033 81 W HA 0.638 5.330 4.660 0.053 0.000 0.336 81 W C -0.602 175.747 176.519 -0.284 0.000 1.173 81 W CA -0.615 56.594 57.345 -0.228 0.000 1.185 81 W CB 2.124 31.419 29.460 -0.275 0.000 1.425 81 W HN 0.594 nan 8.180 nan 0.000 0.536 82 N N 0.469 119.064 118.700 -0.176 0.000 2.319 82 N HA 0.657 5.429 4.740 0.054 0.000 0.305 82 N C -1.202 174.117 175.510 -0.318 0.000 1.103 82 N CA -0.517 52.308 53.050 -0.375 0.000 0.815 82 N CB 2.102 40.112 38.487 -0.793 0.000 1.288 82 N HN 0.150 nan 8.380 nan 0.000 0.493 83 T N 1.470 115.917 114.554 -0.178 0.000 2.824 83 T HA 0.598 4.980 4.350 0.054 0.000 0.282 83 T C -0.618 174.088 174.700 0.011 0.000 0.993 83 T CA -0.663 61.389 62.100 -0.080 0.000 0.967 83 T CB 1.405 70.231 68.868 -0.071 0.000 0.960 83 T HN 0.371 nan 8.240 nan 0.000 0.441 84 Q N 1.467 121.311 119.800 0.075 0.000 2.615 84 Q HA 0.603 4.975 4.340 0.054 0.000 0.298 84 Q C -1.251 174.796 176.000 0.077 0.000 1.023 84 Q CA -1.174 54.699 55.803 0.116 0.000 0.768 84 Q CB 1.977 30.849 28.738 0.223 0.000 1.500 84 Q HN 0.386 nan 8.270 nan 0.000 0.441 85 I N 1.847 122.447 120.570 0.050 0.000 2.337 85 I HA 0.239 4.441 4.170 0.054 0.000 0.285 85 I C 0.675 176.705 176.117 -0.146 0.000 1.041 85 I CA -0.021 61.275 61.300 -0.007 0.000 1.199 85 I CB 0.485 38.519 38.000 0.055 0.000 1.370 85 I HN 0.942 nan 8.210 nan 0.000 0.470 86 A N 7.688 130.302 122.820 -0.343 0.000 1.858 86 A HA 0.052 4.404 4.320 0.054 0.000 0.216 86 A C 0.975 178.256 177.584 -0.506 0.000 1.190 86 A CA 1.329 52.880 52.037 -0.809 0.000 0.617 86 A CB 0.018 18.314 19.000 -1.174 0.000 0.827 86 A HN 0.615 nan 8.150 nan 0.000 0.443 87 I N -0.530 119.852 120.570 -0.313 0.000 2.499 87 I HA 0.269 4.471 4.170 0.054 0.000 0.288 87 I C -0.852 175.192 176.117 -0.121 0.000 1.048 87 I CA -0.689 60.495 61.300 -0.192 0.000 1.062 87 I CB 2.285 40.171 38.000 -0.190 0.000 1.238 87 I HN 0.053 nan 8.210 nan 0.000 0.426 88 K N 4.702 125.049 120.400 -0.088 0.000 2.098 88 K HA 0.355 4.707 4.320 0.054 0.000 0.257 88 K C -0.139 176.415 176.600 -0.077 0.000 0.999 88 K CA -0.688 55.560 56.287 -0.065 0.000 0.924 88 K CB 0.801 33.268 32.500 -0.056 0.000 1.028 88 K HN 0.682 nan 8.250 nan 0.000 0.466 89 N N -1.099 117.551 118.700 -0.084 0.000 2.448 89 N HA 0.023 4.795 4.740 0.054 0.000 0.274 89 N C 0.551 176.045 175.510 -0.027 0.000 1.239 89 N CA -0.464 52.539 53.050 -0.079 0.000 0.982 89 N CB 1.099 39.508 38.487 -0.130 0.000 1.199 89 N HN 0.545 nan 8.380 nan 0.000 0.576 90 S N -0.421 115.272 115.700 -0.010 0.000 2.447 90 S HA -0.096 4.406 4.470 0.054 0.000 0.233 90 S C 0.657 175.287 174.600 0.050 0.000 1.006 90 S CA 0.092 58.295 58.200 0.006 0.000 0.957 90 S CB -0.401 62.796 63.200 -0.005 0.000 0.773 90 S HN 0.715 nan 8.310 nan 0.000 0.507 91 R N -0.406 120.162 120.500 0.113 0.000 3.878 91 R HA -0.164 4.208 4.340 0.054 0.000 0.330 91 R C 1.042 177.409 176.300 0.113 0.000 1.186 91 R CA 0.842 57.047 56.100 0.176 0.000 0.885 91 R CB -2.664 27.719 30.300 0.139 0.000 1.377 91 R HN 0.679 nan 8.270 nan 0.000 0.523 92 A N 0.314 123.188 122.820 0.090 0.000 2.119 92 A HA 0.098 4.450 4.320 0.054 0.000 0.217 92 A C 1.045 178.661 177.584 0.053 0.000 1.153 92 A CA 1.550 53.621 52.037 0.056 0.000 0.692 92 A CB 0.128 19.153 19.000 0.043 0.000 0.799 92 A HN 0.798 nan 8.150 nan 0.000 0.458 93 S N -3.314 112.433 115.700 0.077 0.000 2.669 93 S HA 0.253 4.755 4.470 0.054 0.000 0.266 93 S C 0.746 175.376 174.600 0.049 0.000 1.149 93 S CA 0.435 58.661 58.200 0.044 0.000 0.842 93 S CB 0.046 63.267 63.200 0.035 0.000 1.160 93 S HN 0.777 nan 8.310 nan 0.000 0.487 94 S N 0.252 115.945 115.700 -0.010 0.000 2.440 94 S HA -0.089 4.413 4.470 0.054 0.000 0.238 94 S C 1.608 176.243 174.600 0.059 0.000 1.010 94 S CA 1.355 59.520 58.200 -0.058 0.000 0.972 94 S CB -1.105 62.053 63.200 -0.069 0.000 0.774 94 S HN 1.723 nan 8.310 nan 0.000 0.501 95 V N -2.222 117.757 119.914 0.108 0.000 3.528 95 V HA 0.353 4.505 4.120 0.054 0.000 0.294 95 V C 0.427 176.627 176.094 0.177 0.000 1.404 95 V CA -0.619 61.764 62.300 0.139 0.000 1.065 95 V CB -0.610 31.254 31.823 0.068 0.000 0.904 95 V HN 0.246 nan 8.190 nan 0.000 0.435 96 S N 3.121 118.950 115.700 0.215 0.000 2.558 96 S HA 0.409 4.911 4.470 0.054 0.000 0.291 96 S C 0.263 174.926 174.600 0.105 0.000 1.306 96 S CA 0.217 58.519 58.200 0.170 0.000 1.056 96 S CB 0.084 63.389 63.200 0.174 0.000 0.836 96 S HN 0.951 nan 8.310 nan 0.000 0.504 97 R N -0.800 119.746 120.500 0.076 0.000 2.690 97 R HA 0.617 4.989 4.340 0.054 0.000 0.269 97 R C -1.988 174.337 176.300 0.042 0.000 1.037 97 R CA -1.087 55.025 56.100 0.019 0.000 0.877 97 R CB 0.774 31.102 30.300 0.047 0.000 1.255 97 R HN 0.409 nan 8.270 nan 0.000 0.467 98 V N -0.258 119.640 119.914 -0.027 0.000 2.531 98 V HA 0.785 4.937 4.120 0.054 0.000 0.301 98 V C -0.086 175.978 176.094 -0.051 0.000 1.034 98 V CA -0.793 61.481 62.300 -0.044 0.000 0.865 98 V CB 1.312 33.076 31.823 -0.097 0.000 0.995 98 V HN 0.962 nan 8.190 nan 0.000 0.424 99 M N 1.311 120.895 119.600 -0.027 0.000 2.755 99 M HA 0.718 5.230 4.480 0.054 0.000 0.273 99 M C -1.221 175.036 176.300 -0.071 0.000 1.278 99 M CA -0.512 54.752 55.300 -0.060 0.000 0.819 99 M CB 2.242 34.807 32.600 -0.058 0.000 1.694 99 M HN 0.564 nan 8.290 nan 0.000 0.460 100 D N 0.423 120.770 120.400 -0.088 0.000 2.746 100 D HA -0.092 4.580 4.640 0.054 0.000 0.241 100 D C -0.168 176.101 176.300 -0.051 0.000 1.140 100 D CA 1.247 55.207 54.000 -0.067 0.000 0.707 100 D CB -1.290 39.459 40.800 -0.085 0.000 1.034 100 D HN 0.951 nan 8.370 nan 0.000 0.423 101 A N 0.661 123.454 122.820 -0.044 0.000 2.511 101 A HA 0.436 4.788 4.320 0.054 0.000 0.242 101 A C 0.824 178.426 177.584 0.029 0.000 1.069 101 A CA 0.498 52.522 52.037 -0.022 0.000 0.763 101 A CB 0.574 19.559 19.000 -0.025 0.000 1.001 101 A HN 0.173 nan 8.150 nan 0.000 0.498 102 T N 1.849 116.431 114.554 0.048 0.000 2.841 102 T HA 0.572 4.954 4.350 0.054 0.000 0.283 102 T C -0.533 174.322 174.700 0.258 0.000 1.000 102 T CA -0.405 61.776 62.100 0.136 0.000 0.977 102 T CB 1.412 70.323 68.868 0.073 0.000 0.979 102 T HN 0.530 nan 8.240 nan 0.000 0.446 103 V N 3.844 123.931 119.914 0.288 0.000 2.656 103 V HA 0.625 4.777 4.120 0.054 0.000 0.307 103 V C -0.593 175.661 176.094 0.267 0.000 1.051 103 V CA -0.879 61.598 62.300 0.295 0.000 0.893 103 V CB 1.893 33.850 31.823 0.224 0.000 0.999 103 V HN 0.810 nan 8.190 nan 0.000 0.426 104 I N 3.414 124.141 120.570 0.263 0.000 2.582 104 I HA 0.557 4.759 4.170 0.054 0.000 0.292 104 I C -1.080 175.179 176.117 0.237 0.000 1.066 104 I CA -0.944 60.456 61.300 0.166 0.000 1.053 104 I CB 2.458 40.451 38.000 -0.012 0.000 1.241 104 I HN 0.272 nan 8.210 nan 0.000 0.421 105 V N 5.871 125.888 119.914 0.172 0.000 2.378 105 V HA 0.424 4.576 4.120 0.054 0.000 0.288 105 V C -0.299 175.880 176.094 0.141 0.000 1.016 105 V CA -0.601 61.797 62.300 0.165 0.000 0.840 105 V CB 1.735 33.630 31.823 0.120 0.000 0.994 105 V HN 0.640 nan 8.190 nan 0.000 0.431 106 K N 3.632 124.141 120.400 0.181 0.000 2.507 106 K HA 0.647 4.999 4.320 0.054 0.000 0.252 106 K C 0.659 177.322 176.600 0.106 0.000 0.943 106 K CA 0.417 56.785 56.287 0.135 0.000 0.808 106 K CB 1.679 34.267 32.500 0.147 0.000 1.142 106 K HN 0.912 nan 8.250 nan 0.000 0.426 107 G N 3.592 112.427 108.800 0.057 0.000 2.561 107 G HA2 -0.383 3.609 3.960 0.054 0.000 0.289 107 G HA3 -0.383 3.609 3.960 0.054 0.000 0.289 107 G C 0.082 174.986 174.900 0.007 0.000 1.169 107 G CA 0.530 45.646 45.100 0.028 0.000 0.980 107 G HN 0.832 nan 8.290 nan 0.000 0.550 108 N N 1.167 119.856 118.700 -0.019 0.000 2.275 108 N HA 0.209 4.981 4.740 0.054 0.000 0.236 108 N C 0.127 175.578 175.510 -0.097 0.000 1.154 108 N CA 0.330 53.345 53.050 -0.058 0.000 0.866 108 N CB 0.496 38.938 38.487 -0.075 0.000 1.093 108 N HN 0.729 nan 8.380 nan 0.000 0.515 109 K N 0.487 120.843 120.400 -0.074 0.000 2.259 109 K HA 0.510 4.862 4.320 0.054 0.000 0.249 109 K C -0.874 175.645 176.600 -0.136 0.000 0.942 109 K CA -0.683 55.502 56.287 -0.169 0.000 0.816 109 K CB 2.391 34.755 32.500 -0.227 0.000 1.155 109 K HN -0.026 nan 8.250 nan 0.000 0.428 110 L N 2.867 123.960 121.223 -0.217 0.000 2.322 110 L HA 0.421 4.793 4.340 0.054 0.000 0.281 110 L C -1.198 175.621 176.870 -0.084 0.000 1.014 110 L CA -0.778 54.044 54.840 -0.029 0.000 0.815 110 L CB 0.797 42.900 42.059 0.072 0.000 1.247 110 L HN 0.516 nan 8.230 nan 0.000 0.421 111 Y N 4.213 124.637 120.300 0.207 0.000 2.356 111 Y HA 0.522 5.104 4.550 0.052 0.000 0.334 111 Y C -0.036 176.058 175.900 0.323 0.000 0.958 111 Y CA -0.456 57.804 58.100 0.268 0.000 1.196 111 Y CB 1.117 39.738 38.460 0.267 0.000 1.137 111 Y HN 0.334 nan 8.280 nan 0.000 0.485 112 I N 5.400 126.203 120.570 0.388 0.000 2.378 112 I HA 0.303 4.505 4.170 0.054 0.000 0.291 112 I C -1.074 175.134 176.117 0.152 0.000 0.992 112 I CA -0.983 60.477 61.300 0.267 0.000 1.154 112 I CB 1.759 39.864 38.000 0.174 0.000 1.315 112 I HN 0.381 nan 8.210 nan 0.000 0.448 113 L N 9.422 130.671 121.223 0.043 0.000 2.333 113 L HA 0.776 5.148 4.340 0.054 0.000 0.280 113 L C -0.590 176.185 176.870 -0.159 0.000 1.004 113 L CA -0.325 54.421 54.840 -0.156 0.000 0.820 113 L CB 1.599 43.357 42.059 -0.502 0.000 1.247 113 L HN 0.452 nan 8.230 nan 0.000 0.416 114 V N 1.399 121.208 119.914 -0.174 0.000 3.160 114 V HA 0.999 5.151 4.120 0.054 0.000 0.310 114 V C -0.033 175.930 176.094 -0.218 0.000 1.181 114 V CA -0.222 61.980 62.300 -0.164 0.000 1.047 114 V CB 1.412 33.157 31.823 -0.131 0.000 1.068 114 V HN 0.932 nan 8.190 nan 0.000 0.441 115 G N 0.355 109.056 108.800 -0.165 0.000 2.348 115 G HA2 0.571 4.563 3.960 0.054 0.000 0.312 115 G HA3 0.571 4.563 3.960 0.054 0.000 0.312 115 G C -0.624 174.116 174.900 -0.267 0.000 1.126 115 G CA -0.196 44.781 45.100 -0.204 0.000 0.865 115 G HN 1.120 nan 8.290 nan 0.000 0.474 116 S N 0.650 115.980 115.700 -0.617 0.000 2.502 116 S HA 0.821 5.323 4.470 0.054 0.000 0.304 116 S C -1.219 172.952 174.600 -0.714 0.000 1.097 116 S CA -0.629 57.295 58.200 -0.460 0.000 1.045 116 S CB 0.448 63.432 63.200 -0.361 0.000 1.019 116 S HN 0.352 nan 8.310 nan 0.000 0.481 117 F N 2.883 122.828 119.950 -0.008 0.000 2.588 117 F HA 0.555 5.115 4.527 0.056 0.000 0.314 117 F C 1.012 176.822 175.800 0.016 0.000 1.069 117 F CA -0.930 57.096 58.000 0.043 0.000 0.931 117 F CB 1.730 40.794 39.000 0.106 0.000 1.260 117 F HN 0.435 nan 8.300 nan 0.000 0.465 118 N N 0.521 119.335 118.700 0.190 0.000 2.511 118 N HA 0.117 4.889 4.740 0.054 0.000 0.190 118 N C 0.752 176.321 175.510 0.097 0.000 1.037 118 N CA 0.830 53.943 53.050 0.106 0.000 0.895 118 N CB 0.258 38.776 38.487 0.052 0.000 1.149 118 N HN 0.565 nan 8.380 nan 0.000 0.437 119 K N 0.050 120.498 120.400 0.079 0.000 2.538 119 K HA 0.137 4.489 4.320 0.054 0.000 0.215 119 K C 0.002 176.614 176.600 0.020 0.000 1.345 119 K CA 0.058 56.372 56.287 0.044 0.000 0.985 119 K CB 0.977 33.490 32.500 0.022 0.000 1.116 119 K HN 0.117 nan 8.250 nan 0.000 0.582 120 T N 0.219 114.777 114.554 0.005 0.000 2.937 120 T HA 0.117 4.499 4.350 0.054 0.000 0.316 120 T C 0.815 175.511 174.700 -0.007 0.000 1.079 120 T CA -0.089 61.989 62.100 -0.037 0.000 1.131 120 T CB 1.127 69.901 68.868 -0.157 0.000 1.000 120 T HN 0.131 nan 8.240 nan 0.000 0.549 121 R N 1.070 121.564 120.500 -0.011 0.000 2.404 121 R HA 0.149 4.522 4.340 0.054 0.000 0.237 121 R C 0.436 176.720 176.300 -0.027 0.000 0.907 121 R CA -0.339 55.746 56.100 -0.026 0.000 1.063 121 R CB 0.155 30.431 30.300 -0.039 0.000 1.134 121 R HN 0.800 nan 8.270 nan 0.000 0.529 122 N N 0.630 119.345 118.700 0.025 0.000 2.477 122 N HA 0.080 4.853 4.740 0.054 0.000 0.284 122 N C -0.301 175.253 175.510 0.073 0.000 1.182 122 N CA -0.529 52.541 53.050 0.033 0.000 0.949 122 N CB 1.032 39.548 38.487 0.049 0.000 1.204 122 N HN -0.118 nan 8.380 nan 0.000 0.526 123 S N -0.281 115.407 115.700 -0.020 0.000 2.584 123 S HA 0.029 4.531 4.470 0.054 0.000 0.270 123 S C 1.431 175.854 174.600 -0.295 0.000 1.346 123 S CA -0.819 57.337 58.200 -0.074 0.000 1.018 123 S CB 0.256 63.434 63.200 -0.035 0.000 0.899 123 S HN 0.825 nan 8.310 nan 0.000 0.542 124 W N 2.283 123.223 121.300 -0.601 0.000 2.335 124 W HA -0.206 4.481 4.660 0.045 0.000 0.311 124 W C 1.599 177.717 176.519 -0.668 0.000 1.213 124 W CA 2.420 59.233 57.345 -0.887 0.000 1.274 124 W CB -2.256 26.959 29.460 -0.409 0.000 1.148 124 W HN 0.828 nan 8.180 nan 0.000 0.498 125 T N -0.881 112.984 114.554 -1.149 0.000 3.025 125 T HA -0.007 4.375 4.350 0.054 0.000 0.270 125 T C 1.886 176.287 174.700 -0.499 0.000 1.126 125 T CA 2.382 63.890 62.100 -0.986 0.000 1.105 125 T CB -0.691 67.695 68.868 -0.804 0.000 0.884 125 T HN 0.432 nan 8.240 nan 0.000 0.522 126 Q N 0.019 119.585 119.800 -0.390 0.000 2.198 126 Q HA 0.280 4.652 4.340 0.054 0.000 0.209 126 Q C 0.341 176.322 176.000 -0.032 0.000 0.848 126 Q CA -0.394 55.302 55.803 -0.178 0.000 0.974 126 Q CB -0.476 28.193 28.738 -0.114 0.000 1.115 126 Q HN 0.769 nan 8.270 nan 0.000 0.494 127 H N -0.401 118.628 119.070 -0.068 0.000 2.757 127 H HA 0.443 5.029 4.556 0.051 0.000 0.370 127 H C 1.882 177.201 175.328 -0.016 0.000 1.172 127 H CA 0.576 56.617 56.048 -0.012 0.000 1.426 127 H CB 0.924 30.712 29.762 0.044 0.000 1.438 127 H HN 0.471 nan 8.280 nan 0.000 0.612 128 R N 1.552 122.133 120.500 0.134 0.000 2.073 128 R HA -0.039 4.333 4.340 0.054 0.000 0.229 128 R C 0.541 176.885 176.300 0.072 0.000 1.120 128 R CA 2.150 58.291 56.100 0.067 0.000 0.967 128 R CB -0.869 29.455 30.300 0.041 0.000 0.862 128 R HN 0.900 nan 8.270 nan 0.000 0.436 129 D N -5.510 114.951 120.400 0.102 0.000 3.009 129 D HA 0.416 5.088 4.640 0.054 0.000 0.318 129 D C 0.679 177.081 176.300 0.171 0.000 1.273 129 D CA 0.129 54.194 54.000 0.109 0.000 1.001 129 D CB 0.363 41.214 40.800 0.085 0.000 1.411 129 D HN 0.040 nan 8.370 nan 0.000 0.577 130 G N -1.253 107.662 108.800 0.192 0.000 3.502 130 G HA2 0.188 4.180 3.960 0.054 0.000 0.267 130 G HA3 0.188 4.180 3.960 0.054 0.000 0.267 130 G C 0.856 175.944 174.900 0.315 0.000 1.090 130 G CA 0.360 45.642 45.100 0.303 0.000 0.795 130 G HN 0.468 nan 8.290 nan 0.000 0.535 131 S N -0.298 115.513 115.700 0.186 0.000 2.469 131 S HA -0.119 4.383 4.470 0.054 0.000 0.238 131 S C 1.498 176.162 174.600 0.106 0.000 0.998 131 S CA 1.421 59.695 58.200 0.124 0.000 0.957 131 S CB 0.075 63.318 63.200 0.072 0.000 0.764 131 S HN 0.222 nan 8.310 nan 0.000 0.514 132 D N -0.241 120.244 120.400 0.142 0.000 2.367 132 D HA 0.177 4.849 4.640 0.054 0.000 0.207 132 D C -0.062 176.343 176.300 0.174 0.000 1.034 132 D CA -0.207 53.873 54.000 0.133 0.000 0.861 132 D CB 0.191 41.045 40.800 0.090 0.000 0.943 132 D HN 0.676 nan 8.370 nan 0.000 0.515 133 W N 1.074 122.351 121.300 -0.039 0.000 2.578 133 W HA 0.549 5.222 4.660 0.020 0.000 0.346 133 W C -1.073 175.257 176.519 -0.315 0.000 1.075 133 W CA -0.510 56.647 57.345 -0.312 0.000 1.233 133 W CB 1.038 30.411 29.460 -0.146 0.000 1.358 133 W HN -0.319 nan 8.180 nan 0.000 0.574 134 E N 4.176 123.400 120.200 -1.627 0.000 2.335 134 E HA 0.223 4.605 4.350 0.054 0.000 0.280 134 E C -2.636 173.006 176.600 -1.597 0.000 0.918 134 E CA -2.082 53.350 56.400 -1.613 0.000 0.765 134 E CB 2.773 32.006 29.700 -0.780 0.000 1.218 134 E HN 0.098 nan 8.360 nan 0.000 0.425 135 P HA 0.291 nan 4.420 nan 0.000 0.291 135 P C -0.816 176.178 177.300 -0.509 0.000 1.378 135 P CA -0.294 62.297 63.100 -0.848 0.000 0.853 135 P CB 0.387 31.549 31.700 -0.897 0.000 1.002 136 L N 3.991 124.980 121.223 -0.390 0.000 2.309 136 L HA 0.545 4.917 4.340 0.054 0.000 0.282 136 L C 0.087 176.865 176.870 -0.153 0.000 1.036 136 L CA -1.072 53.622 54.840 -0.243 0.000 0.806 136 L CB 1.425 43.354 42.059 -0.215 0.000 1.220 136 L HN 0.220 nan 8.230 nan 0.000 0.429 137 L N 4.104 125.287 121.223 -0.066 0.000 2.313 137 L HA 0.664 5.036 4.340 0.054 0.000 0.283 137 L C -0.813 176.114 176.870 0.095 0.000 1.013 137 L CA -0.228 54.634 54.840 0.037 0.000 0.816 137 L CB 1.817 43.939 42.059 0.105 0.000 1.236 137 L HN 0.276 nan 8.230 nan 0.000 0.419 138 V N 5.508 125.504 119.914 0.137 0.000 2.656 138 V HA 0.578 4.730 4.120 0.054 0.000 0.307 138 V C -0.620 175.608 176.094 0.223 0.000 1.051 138 V CA -0.709 61.689 62.300 0.163 0.000 0.893 138 V CB 2.174 34.071 31.823 0.123 0.000 0.999 138 V HN 0.513 nan 8.190 nan 0.000 0.426 139 V N 3.165 123.181 119.914 0.170 0.000 2.459 139 V HA 0.829 4.981 4.120 0.054 0.000 0.295 139 V C 0.569 176.663 176.094 0.000 0.000 1.029 139 V CA -0.231 62.071 62.300 0.004 0.000 0.874 139 V CB 1.785 33.541 31.823 -0.112 0.000 0.985 139 V HN 0.990 nan 8.190 nan 0.000 0.438 140 G N 2.868 111.549 108.800 -0.198 0.000 2.513 140 G HA2 0.673 4.666 3.960 0.054 0.000 0.317 140 G HA3 0.673 4.666 3.960 0.054 0.000 0.317 140 G C -1.205 173.360 174.900 -0.559 0.000 1.277 140 G CA -0.387 44.307 45.100 -0.677 0.000 0.955 140 G HN 0.663 nan 8.290 nan 0.000 0.484 141 E N 1.301 121.173 120.200 -0.546 0.000 2.176 141 E HA 0.512 4.894 4.350 0.054 0.000 0.267 141 E C -0.932 175.444 176.600 -0.372 0.000 0.893 141 E CA -0.595 55.586 56.400 -0.365 0.000 0.761 141 E CB 2.125 31.673 29.700 -0.254 0.000 1.133 141 E HN 0.232 nan 8.360 nan 0.000 0.409 142 V N 3.663 123.403 119.914 -0.290 0.000 2.427 142 V HA 0.399 4.551 4.120 0.054 0.000 0.286 142 V C -0.245 175.730 176.094 -0.199 0.000 1.034 142 V CA -0.440 61.697 62.300 -0.272 0.000 0.893 142 V CB 1.730 33.410 31.823 -0.239 0.000 0.982 142 V HN 0.735 nan 8.190 nan 0.000 0.452 143 T N 5.218 119.655 114.554 -0.195 0.000 2.841 143 T HA 0.435 4.817 4.350 0.054 0.000 0.285 143 T C -0.440 174.184 174.700 -0.126 0.000 0.991 143 T CA -0.751 61.265 62.100 -0.139 0.000 0.966 143 T CB 1.292 70.087 68.868 -0.121 0.000 0.962 143 T HN 0.525 nan 8.240 nan 0.000 0.438 144 K N 2.102 122.443 120.400 -0.098 0.000 2.159 144 K HA 0.685 5.037 4.320 0.054 0.000 0.266 144 K C 0.257 176.821 176.600 -0.061 0.000 0.975 144 K CA -0.540 55.698 56.287 -0.081 0.000 0.865 144 K CB 1.413 33.870 32.500 -0.072 0.000 1.087 144 K HN 0.761 nan 8.250 nan 0.000 0.446 145 S N 0.848 116.517 115.700 -0.052 0.000 2.921 145 S HA 0.900 5.402 4.470 0.054 0.000 0.315 145 S C -1.226 173.355 174.600 -0.032 0.000 1.087 145 S CA -0.783 57.395 58.200 -0.038 0.000 0.877 145 S CB 1.876 65.056 63.200 -0.033 0.000 1.340 145 S HN 0.656 nan 8.310 nan 0.000 0.622 146 A N -0.574 122.231 122.820 -0.025 0.000 2.573 146 A HA 0.738 5.090 4.320 0.054 0.000 0.312 146 A C -0.179 177.395 177.584 -0.017 0.000 1.041 146 A CA -0.314 51.710 52.037 -0.022 0.000 0.880 146 A CB 0.153 19.140 19.000 -0.023 0.000 1.249 146 A HN 1.698 nan 8.150 nan 0.000 0.385 147 A N 1.778 124.589 122.820 -0.015 0.000 3.054 147 A HA 0.667 5.019 4.320 0.054 0.000 0.207 147 A C 0.515 178.092 177.584 -0.012 0.000 1.942 147 A CA 0.053 52.083 52.037 -0.012 0.000 0.878 147 A CB -0.053 18.941 19.000 -0.010 0.000 1.860 147 A HN 1.241 nan 8.150 nan 0.000 0.706 148 N N -0.612 118.082 118.700 -0.010 0.000 2.482 148 N HA 0.389 5.161 4.740 0.054 0.000 0.242 148 N C 0.647 176.151 175.510 -0.011 0.000 1.100 148 N CA 0.246 53.290 53.050 -0.010 0.000 0.946 148 N CB 0.801 39.283 38.487 -0.008 0.000 1.227 148 N HN 1.208 nan 8.380 nan 0.000 0.508 149 G N 2.410 111.203 108.800 -0.012 0.000 2.812 149 G HA2 -0.310 3.682 3.960 0.054 0.000 0.219 149 G HA3 -0.310 3.682 3.960 0.054 0.000 0.219 149 G C -0.001 174.889 174.900 -0.016 0.000 1.275 149 G CA -0.138 44.954 45.100 -0.013 0.000 0.769 149 G HN 0.510 nan 8.290 nan 0.000 0.527 150 K N 2.461 122.851 120.400 -0.016 0.000 2.297 150 K HA 0.611 4.964 4.320 0.054 0.000 0.286 150 K C 0.158 176.745 176.600 -0.022 0.000 1.053 150 K CA 0.334 56.609 56.287 -0.020 0.000 0.940 150 K CB 1.201 33.690 32.500 -0.018 0.000 1.019 150 K HN 0.276 nan 8.250 nan 0.000 0.475 151 T N 2.074 116.612 114.554 -0.027 0.000 2.882 151 T HA 0.456 4.838 4.350 0.054 0.000 0.287 151 T C 0.036 174.719 174.700 -0.028 0.000 0.992 151 T CA -0.729 61.353 62.100 -0.030 0.000 1.076 151 T CB 1.063 69.909 68.868 -0.036 0.000 0.961 151 T HN 0.744 nan 8.240 nan 0.000 0.490 152 T N -1.091 113.448 114.554 -0.024 0.000 2.864 152 T HA 0.887 5.270 4.350 0.054 0.000 0.289 152 T C -1.063 173.621 174.700 -0.027 0.000 1.082 152 T CA -1.052 61.042 62.100 -0.010 0.000 1.009 152 T CB 1.948 70.818 68.868 0.003 0.000 1.234 152 T HN 0.871 nan 8.240 nan 0.000 0.526 153 A N 0.881 123.693 122.820 -0.014 0.000 2.589 153 A HA 0.826 5.178 4.320 0.054 0.000 0.296 153 A C -0.223 177.273 177.584 -0.147 0.000 1.062 153 A CA -0.695 51.279 52.037 -0.104 0.000 0.686 153 A CB 1.250 20.144 19.000 -0.177 0.000 1.282 153 A HN 1.496 nan 8.150 nan 0.000 0.404 154 T N -0.831 113.598 114.554 -0.208 0.000 2.924 154 T HA 0.824 5.206 4.350 0.054 0.000 0.291 154 T C -0.520 173.970 174.700 -0.350 0.000 1.045 154 T CA -0.604 61.377 62.100 -0.199 0.000 1.015 154 T CB 1.227 70.044 68.868 -0.085 0.000 1.103 154 T HN 0.604 nan 8.240 nan 0.000 0.496 155 I N 1.672 122.057 120.570 -0.309 0.000 2.468 155 I HA 0.399 4.602 4.170 0.054 0.000 0.285 155 I C -0.219 175.666 176.117 -0.387 0.000 1.039 155 I CA -0.824 60.224 61.300 -0.420 0.000 1.074 155 I CB 2.093 39.832 38.000 -0.434 0.000 1.228 155 I HN 0.702 nan 8.210 nan 0.000 0.436 156 S N 5.817 121.234 115.700 -0.473 0.000 2.437 156 S HA 0.562 5.064 4.470 0.054 0.000 0.305 156 S C -1.464 172.856 174.600 -0.468 0.000 1.109 156 S CA -0.401 57.606 58.200 -0.321 0.000 1.099 156 S CB 0.547 63.639 63.200 -0.179 0.000 1.004 156 S HN 0.423 nan 8.310 nan 0.000 0.475 157 W N 3.056 124.351 121.300 -0.009 0.000 2.475 157 W HA 0.595 5.287 4.660 0.053 0.000 0.317 157 W C 0.853 177.366 176.519 -0.011 0.000 1.046 157 W CA -0.780 56.559 57.345 -0.010 0.000 1.215 157 W CB 1.077 30.541 29.460 0.007 0.000 1.335 157 W HN 0.874 nan 8.180 nan 0.000 0.471 158 G N 1.134 110.049 108.800 0.191 0.000 2.588 158 G HA2 0.497 4.489 3.960 0.054 0.000 0.278 158 G HA3 0.497 4.489 3.960 0.054 0.000 0.278 158 G C -0.492 174.476 174.900 0.115 0.000 1.307 158 G CA -0.772 44.396 45.100 0.112 0.000 1.016 158 G HN 0.516 nan 8.290 nan 0.000 0.503 159 K N 0.453 120.896 120.400 0.072 0.000 2.249 159 K HA 0.561 4.913 4.320 0.054 0.000 0.280 159 K C -2.202 174.425 176.600 0.046 0.000 1.033 159 K CA -1.329 54.988 56.287 0.050 0.000 0.946 159 K CB -0.097 32.422 32.500 0.032 0.000 1.005 159 K HN 0.509 nan 8.250 nan 0.000 0.469 160 P HA 0.212 nan 4.420 nan 0.000 0.265 160 P C -0.898 176.402 177.300 0.000 0.000 1.193 160 P CA -0.423 62.680 63.100 0.004 0.000 0.765 160 P CB 0.831 32.509 31.700 -0.038 0.000 0.823 161 V N 2.207 122.127 119.914 0.011 0.000 2.604 161 V HA 0.383 4.535 4.120 0.054 0.000 0.305 161 V C 0.242 176.320 176.094 -0.026 0.000 1.043 161 V CA -0.561 61.748 62.300 0.016 0.000 0.888 161 V CB 1.943 33.811 31.823 0.075 0.000 0.995 161 V HN 0.569 nan 8.190 nan 0.000 0.429 162 S N 3.430 119.099 115.700 -0.053 0.000 2.554 162 S HA 0.550 5.052 4.470 0.054 0.000 0.278 162 S C 0.565 175.134 174.600 -0.052 0.000 1.242 162 S CA -0.563 57.567 58.200 -0.117 0.000 1.051 162 S CB 0.787 63.889 63.200 -0.164 0.000 0.986 162 S HN 0.606 nan 8.310 nan 0.000 0.502 163 L N 4.209 125.381 121.223 -0.085 0.000 2.640 163 L HA 0.280 4.652 4.340 0.054 0.000 0.230 163 L C 2.243 179.182 176.870 0.115 0.000 1.123 163 L CA -0.075 54.798 54.840 0.054 0.000 0.900 163 L CB -0.271 41.836 42.059 0.080 0.000 1.146 163 L HN 0.696 nan 8.230 nan 0.000 0.484 164 K N 1.719 122.087 120.400 -0.052 0.000 2.052 164 K HA -0.196 4.156 4.320 0.054 0.000 0.215 164 K C -0.693 176.012 176.600 0.175 0.000 1.053 164 K CA 1.921 58.209 56.287 0.003 0.000 0.934 164 K CB -0.724 31.670 32.500 -0.176 0.000 0.717 164 K HN 0.168 nan 8.250 nan 0.000 0.450 165 P HA -0.116 nan 4.420 nan 0.000 0.234 165 P C 0.272 177.679 177.300 0.177 0.000 1.162 165 P CA 1.074 64.251 63.100 0.129 0.000 0.759 165 P CB 0.059 31.813 31.700 0.090 0.000 0.813 166 L N -4.031 117.350 121.223 0.262 0.000 2.731 166 L HA 0.239 4.611 4.340 0.054 0.000 0.240 166 L C 0.604 177.689 176.870 0.358 0.000 1.120 166 L CA -0.397 54.629 54.840 0.310 0.000 0.913 166 L CB -0.078 42.214 42.059 0.388 0.000 1.213 166 L HN -0.107 nan 8.230 nan 0.000 0.515 167 F N 4.192 124.248 119.950 0.178 0.000 2.466 167 F HA 0.355 4.901 4.527 0.032 0.000 0.363 167 F C -1.784 173.959 175.800 -0.096 0.000 1.109 167 F CA -3.334 54.704 58.000 0.063 0.000 1.161 167 F CB 0.066 39.258 39.000 0.320 0.000 1.117 167 F HN -0.148 nan 8.300 nan 0.000 0.539 168 P HA 0.145 nan 4.420 nan 0.000 0.269 168 P C -0.191 176.619 177.300 -0.817 0.000 1.215 168 P CA 0.024 62.740 63.100 -0.641 0.000 0.780 168 P CB 0.793 31.989 31.700 -0.840 0.000 0.898 169 A N 0.090 122.613 122.820 -0.495 0.000 2.169 169 A HA 0.388 4.740 4.320 0.054 0.000 0.212 169 A C 0.909 178.246 177.584 -0.410 0.000 1.153 169 A CA 1.382 53.187 52.037 -0.386 0.000 0.756 169 A CB -0.650 18.235 19.000 -0.192 0.000 0.813 169 A HN 0.666 nan 8.150 nan 0.000 0.471 170 E N -1.210 118.674 120.200 -0.525 0.000 2.375 170 E HA 0.642 5.025 4.350 0.054 0.000 0.280 170 E C -1.465 174.825 176.600 -0.517 0.000 0.972 170 E CA -0.733 55.427 56.400 -0.399 0.000 0.782 170 E CB 0.671 30.255 29.700 -0.193 0.000 1.229 170 E HN 0.342 nan 8.360 nan 0.000 0.439 171 F N 1.504 121.400 119.950 -0.091 0.000 2.493 171 F HA 0.394 4.961 4.527 0.067 0.000 0.329 171 F C 0.472 176.229 175.800 -0.071 0.000 1.126 171 F CA -0.841 57.115 58.000 -0.074 0.000 0.937 171 F CB 2.299 41.282 39.000 -0.029 0.000 1.146 171 F HN 0.725 nan 8.300 nan 0.000 0.442 172 D N 3.291 123.766 120.400 0.125 0.000 3.025 172 D HA -0.173 4.500 4.640 0.054 0.000 0.201 172 D C 1.052 177.365 176.300 0.022 0.000 1.267 172 D CA 1.905 55.929 54.000 0.039 0.000 0.736 172 D CB -0.518 40.282 40.800 0.000 0.000 0.883 172 D HN 0.947 nan 8.370 nan 0.000 0.388 173 G N 1.482 110.290 108.800 0.013 0.000 2.640 173 G HA2 -0.355 3.637 3.960 0.054 0.000 0.226 173 G HA3 -0.355 3.637 3.960 0.054 0.000 0.226 173 G C 0.732 175.643 174.900 0.017 0.000 1.222 173 G CA 0.048 45.152 45.100 0.007 0.000 0.729 173 G HN 0.659 nan 8.290 nan 0.000 0.516 174 I N 2.699 123.300 120.570 0.052 0.000 2.752 174 I HA 0.210 4.412 4.170 0.054 0.000 0.289 174 I C 0.902 177.055 176.117 0.060 0.000 1.197 174 I CA 0.108 61.465 61.300 0.096 0.000 1.432 174 I CB 0.423 38.528 38.000 0.174 0.000 1.359 174 I HN 0.129 nan 8.210 nan 0.000 0.571 175 L N 6.597 127.848 121.223 0.047 0.000 2.290 175 L HA 0.307 4.679 4.340 0.054 0.000 0.284 175 L C 0.744 177.626 176.870 0.019 0.000 1.078 175 L CA -0.545 54.291 54.840 -0.007 0.000 0.815 175 L CB 0.950 43.006 42.059 -0.006 0.000 1.162 175 L HN 0.677 nan 8.230 nan 0.000 0.435 176 T N -0.813 113.695 114.554 -0.076 0.000 2.899 176 T HA 0.347 4.729 4.350 0.054 0.000 0.284 176 T C 0.304 175.053 174.700 0.082 0.000 1.004 176 T CA -0.586 61.498 62.100 -0.028 0.000 1.043 176 T CB 2.802 71.402 68.868 -0.448 0.000 1.013 176 T HN 0.722 nan 8.240 nan 0.000 0.518 177 K N 0.278 120.793 120.400 0.191 0.000 2.537 177 K HA 0.304 4.656 4.320 0.054 0.000 0.216 177 K C 0.021 176.631 176.600 0.017 0.000 1.349 177 K CA -0.160 56.195 56.287 0.112 0.000 0.841 177 K CB 0.846 33.339 32.500 -0.013 0.000 1.659 177 K HN 0.837 nan 8.250 nan 0.000 0.435 178 E N -0.759 119.301 120.200 -0.233 0.000 2.446 178 E HA 0.372 4.754 4.350 0.054 0.000 0.276 178 E C -1.526 174.794 176.600 -0.466 0.000 0.969 178 E CA -1.004 54.757 56.400 -1.066 0.000 0.800 178 E CB 2.322 31.346 29.700 -1.126 0.000 1.341 178 E HN 0.147 nan 8.360 nan 0.000 0.460 179 F N -1.221 118.275 119.950 -0.758 0.000 2.678 179 F HA 0.747 5.302 4.527 0.046 0.000 0.308 179 F C -2.105 173.674 175.800 -0.035 0.000 1.118 179 F CA -0.667 57.241 58.000 -0.153 0.000 0.959 179 F CB 0.827 39.707 39.000 -0.201 0.000 1.305 179 F HN 0.281 nan 8.300 nan 0.000 0.443 180 V N 1.160 121.156 119.914 0.136 0.000 3.206 180 V HA 0.833 4.985 4.120 0.054 0.000 0.305 180 V C 0.420 176.578 176.094 0.106 0.000 1.257 180 V CA -0.528 61.739 62.300 -0.056 0.000 1.057 180 V CB 1.778 33.395 31.823 -0.344 0.000 1.075 180 V HN 1.277 nan 8.190 nan 0.000 0.443 181 G N 0.046 108.830 108.800 -0.026 0.000 2.684 181 G HA2 0.420 4.412 3.960 0.054 0.000 0.255 181 G HA3 0.420 4.412 3.960 0.054 0.000 0.255 181 G C 0.986 175.900 174.900 0.023 0.000 1.219 181 G CA 0.257 45.337 45.100 -0.033 0.000 0.901 181 G HN 1.264 nan 8.290 nan 0.000 0.548 182 G N -2.054 106.791 108.800 0.076 0.000 2.920 182 G HA2 0.354 4.346 3.960 0.054 0.000 0.208 182 G HA3 0.354 4.346 3.960 0.054 0.000 0.208 182 G C 0.274 175.218 174.900 0.074 0.000 1.159 182 G CA 0.692 45.846 45.100 0.091 0.000 0.784 182 G HN 1.430 nan 8.290 nan 0.000 0.535 183 V N -1.422 118.534 119.914 0.070 0.000 3.447 183 V HA 0.248 4.400 4.120 0.054 0.000 0.494 183 V C 0.739 176.895 176.094 0.102 0.000 0.682 183 V CA 0.608 62.957 62.300 0.083 0.000 2.042 183 V CB -1.132 30.753 31.823 0.104 0.000 2.480 183 V HN 2.089 nan 8.190 nan 0.000 0.505 184 G N 2.148 111.018 108.800 0.116 0.000 2.549 184 G HA2 0.451 4.443 3.960 0.054 0.000 0.404 184 G HA3 0.451 4.443 3.960 0.054 0.000 0.404 184 G C -0.069 174.924 174.900 0.156 0.000 1.292 184 G CA -0.016 45.159 45.100 0.125 0.000 0.935 184 G HN 2.571 nan 8.290 nan 0.000 0.512 185 A N -0.258 122.654 122.820 0.155 0.000 2.409 185 A HA 0.893 5.245 4.320 0.054 0.000 0.262 185 A C 0.892 178.578 177.584 0.171 0.000 1.113 185 A CA 1.478 53.615 52.037 0.165 0.000 0.790 185 A CB 0.369 19.461 19.000 0.152 0.000 1.046 185 A HN 2.518 nan 8.150 nan 0.000 0.496 186 A N 2.142 125.066 122.820 0.173 0.000 2.624 186 A HA 0.895 5.247 4.320 0.054 0.000 0.267 186 A C 0.156 177.790 177.584 0.084 0.000 1.282 186 A CA -0.168 51.955 52.037 0.143 0.000 0.934 186 A CB 0.414 19.505 19.000 0.150 0.000 1.510 186 A HN 1.599 nan 8.150 nan 0.000 0.477 187 I N -3.707 116.885 120.570 0.038 0.000 3.322 187 I HA 0.802 5.005 4.170 0.054 0.000 0.313 187 I C -1.451 174.658 176.117 -0.013 0.000 1.129 187 I CA -1.117 60.200 61.300 0.027 0.000 0.963 187 I CB 2.083 40.107 38.000 0.040 0.000 1.273 187 I HN 0.232 nan 8.210 nan 0.000 0.473 188 V N 2.898 122.812 119.914 0.000 0.000 2.325 188 V HA 0.583 4.735 4.120 0.054 0.000 0.280 188 V C 0.587 176.676 176.094 -0.008 0.000 1.016 188 V CA -0.531 61.759 62.300 -0.016 0.000 0.818 188 V CB 0.939 32.759 31.823 -0.005 0.000 1.019 188 V HN 0.912 nan 8.190 nan 0.000 0.434 189 A N 3.685 126.495 122.820 -0.016 0.000 2.498 189 A HA 0.354 4.706 4.320 0.054 0.000 0.239 189 A C 1.726 179.300 177.584 -0.017 0.000 1.068 189 A CA 0.537 52.564 52.037 -0.016 0.000 0.766 189 A CB 0.319 19.302 19.000 -0.029 0.000 1.003 189 A HN 1.353 nan 8.150 nan 0.000 0.497 190 S N 1.798 117.489 115.700 -0.016 0.000 2.428 190 S HA -0.297 4.205 4.470 0.054 0.000 0.240 190 S C 1.167 175.756 174.600 -0.018 0.000 1.036 190 S CA 1.833 60.022 58.200 -0.017 0.000 1.009 190 S CB -0.693 62.493 63.200 -0.024 0.000 0.803 190 S HN 1.049 nan 8.310 nan 0.000 0.486 191 N N 1.168 119.855 118.700 -0.021 0.000 2.398 191 N HA 0.262 5.034 4.740 0.054 0.000 0.188 191 N C 1.239 176.738 175.510 -0.018 0.000 1.122 191 N CA 0.759 53.798 53.050 -0.019 0.000 0.866 191 N CB -0.396 38.079 38.487 -0.020 0.000 0.970 191 N HN 0.705 nan 8.380 nan 0.000 0.462 192 G N -0.643 108.145 108.800 -0.020 0.000 2.194 192 G HA2 -0.279 3.713 3.960 0.054 0.000 0.236 192 G HA3 -0.279 3.713 3.960 0.054 0.000 0.236 192 G C -0.415 174.461 174.900 -0.040 0.000 0.987 192 G CA -0.148 44.936 45.100 -0.026 0.000 0.635 192 G HN 0.472 nan 8.290 nan 0.000 0.520 193 N N 0.675 119.358 118.700 -0.029 0.000 2.492 193 N HA 0.451 5.224 4.740 0.054 0.000 0.260 193 N C 0.599 176.083 175.510 -0.043 0.000 1.215 193 N CA 0.091 53.130 53.050 -0.019 0.000 0.923 193 N CB 0.609 39.112 38.487 0.026 0.000 1.092 193 N HN 0.360 nan 8.380 nan 0.000 0.448 194 L N 1.730 122.903 121.223 -0.082 0.000 2.281 194 L HA 0.344 4.716 4.340 0.054 0.000 0.285 194 L C -0.390 176.497 176.870 0.028 0.000 1.074 194 L CA -0.707 54.065 54.840 -0.113 0.000 0.817 194 L CB 0.610 42.518 42.059 -0.250 0.000 1.168 194 L HN 0.102 nan 8.230 nan 0.000 0.434 195 V N 4.354 124.259 119.914 -0.016 0.000 2.350 195 V HA 0.318 4.470 4.120 0.054 0.000 0.285 195 V C -0.671 175.458 176.094 0.057 0.000 1.014 195 V CA -0.522 61.826 62.300 0.079 0.000 0.831 195 V CB 1.245 33.099 31.823 0.052 0.000 1.000 195 V HN 0.468 nan 8.190 nan 0.000 0.433 196 Y N 6.632 127.033 120.300 0.169 0.000 2.331 196 Y HA 0.421 5.004 4.550 0.056 0.000 0.338 196 Y C -1.981 173.972 175.900 0.089 0.000 0.976 196 Y CA -2.613 55.545 58.100 0.097 0.000 1.137 196 Y CB 2.624 41.084 38.460 0.001 0.000 1.172 196 Y HN 0.436 nan 8.280 nan 0.000 0.478 197 P HA 0.123 nan 4.420 nan 0.000 0.287 197 P C -1.069 176.344 177.300 0.190 0.000 1.281 197 P CA -0.016 63.221 63.100 0.228 0.000 0.781 197 P CB 1.564 33.389 31.700 0.209 0.000 0.903 198 V N 1.542 121.559 119.914 0.171 0.000 2.914 198 V HA 0.606 4.758 4.120 0.054 0.000 0.314 198 V C -0.577 175.614 176.094 0.162 0.000 1.084 198 V CA -1.134 61.258 62.300 0.153 0.000 0.963 198 V CB 1.953 33.844 31.823 0.113 0.000 1.025 198 V HN 0.536 nan 8.190 nan 0.000 0.432 199 Q N 3.594 123.503 119.800 0.183 0.000 2.322 199 Q HA 0.732 5.104 4.340 0.054 0.000 0.265 199 Q C -1.143 175.003 176.000 0.243 0.000 0.985 199 Q CA -0.782 55.130 55.803 0.182 0.000 0.849 199 Q CB 2.396 31.270 28.738 0.226 0.000 1.274 199 Q HN 0.719 nan 8.270 nan 0.000 0.449 200 I N 1.364 121.912 120.570 -0.036 0.000 2.441 200 I HA 0.640 4.842 4.170 0.054 0.000 0.295 200 I C -0.491 175.457 176.117 -0.280 0.000 0.994 200 I CA -0.974 60.242 61.300 -0.140 0.000 1.144 200 I CB 1.607 39.280 38.000 -0.545 0.000 1.314 200 I HN 0.796 nan 8.210 nan 0.000 0.445 201 A N 5.068 127.770 122.820 -0.197 0.000 2.303 201 A HA 0.578 4.930 4.320 0.054 0.000 0.320 201 A C -0.373 177.133 177.584 -0.130 0.000 1.192 201 A CA -0.655 51.162 52.037 -0.366 0.000 0.821 201 A CB 0.751 19.201 19.000 -0.918 0.000 1.188 201 A HN 0.767 nan 8.150 nan 0.000 0.492 202 D N 2.312 122.709 120.400 -0.005 0.000 2.423 202 D HA 0.199 4.871 4.640 0.054 0.000 0.255 202 D C 1.180 177.484 176.300 0.007 0.000 1.174 202 D CA -0.623 53.435 54.000 0.097 0.000 1.008 202 D CB 0.333 41.282 40.800 0.247 0.000 1.101 202 D HN 0.244 nan 8.370 nan 0.000 0.516 203 M N 0.291 119.906 119.600 0.025 0.000 2.080 203 M HA -0.011 4.501 4.480 0.054 0.000 0.260 203 M C 2.016 178.302 176.300 -0.024 0.000 1.068 203 M CA 1.797 57.096 55.300 -0.002 0.000 1.109 203 M CB -1.556 31.048 32.600 0.008 0.000 1.342 203 M HN 0.729 nan 8.290 nan 0.000 0.405 204 G N -1.078 107.712 108.800 -0.017 0.000 2.990 204 G HA2 0.228 4.220 3.960 0.054 0.000 0.206 204 G HA3 0.228 4.220 3.960 0.054 0.000 0.206 204 G C 1.138 176.002 174.900 -0.061 0.000 1.169 204 G CA 0.686 45.762 45.100 -0.039 0.000 0.819 204 G HN 0.744 nan 8.290 nan 0.000 0.517 205 G N -0.589 108.163 108.800 -0.081 0.000 2.179 205 G HA2 -0.284 3.708 3.960 0.054 0.000 0.260 205 G HA3 -0.284 3.708 3.960 0.054 0.000 0.260 205 G C 0.629 175.465 174.900 -0.106 0.000 0.977 205 G CA 0.200 45.222 45.100 -0.129 0.000 0.641 205 G HN 0.667 nan 8.290 nan 0.000 0.533 206 R N -0.680 119.806 120.500 -0.024 0.000 2.560 206 R HA 0.624 4.996 4.340 0.054 0.000 0.270 206 R C -0.083 176.300 176.300 0.139 0.000 1.074 206 R CA -0.293 55.858 56.100 0.085 0.000 1.140 206 R CB 1.383 31.767 30.300 0.140 0.000 1.073 206 R HN 0.103 nan 8.270 nan 0.000 0.527 207 V N 2.883 122.933 119.914 0.227 0.000 2.823 207 V HA 0.627 4.779 4.120 0.054 0.000 0.312 207 V C -0.852 175.426 176.094 0.308 0.000 1.072 207 V CA -0.603 61.780 62.300 0.137 0.000 0.937 207 V CB 1.597 33.456 31.823 0.058 0.000 1.013 207 V HN 0.760 nan 8.190 nan 0.000 0.430 208 F N 0.363 120.360 119.950 0.078 0.000 2.741 208 F HA 0.842 5.400 4.527 0.052 0.000 0.313 208 F C -0.423 175.387 175.800 0.017 0.000 1.153 208 F CA -0.762 57.225 58.000 -0.023 0.000 0.931 208 F CB 1.553 40.406 39.000 -0.246 0.000 1.335 208 F HN 0.511 nan 8.300 nan 0.000 0.460 209 T N -0.735 113.930 114.554 0.184 0.000 2.940 209 T HA 0.801 5.183 4.350 0.054 0.000 0.288 209 T C -1.038 173.739 174.700 0.129 0.000 1.033 209 T CA -0.714 61.477 62.100 0.152 0.000 1.033 209 T CB 2.349 71.361 68.868 0.240 0.000 1.079 209 T HN 1.012 nan 8.240 nan 0.000 0.496 210 K N 0.356 120.873 120.400 0.196 0.000 2.571 210 K HA 0.579 4.931 4.320 0.054 0.000 0.289 210 K C -1.453 175.351 176.600 0.340 0.000 1.028 210 K CA -0.979 55.416 56.287 0.180 0.000 0.895 210 K CB 1.912 34.427 32.500 0.025 0.000 1.534 210 K HN 0.560 nan 8.250 nan 0.000 0.421 211 I N 2.222 123.015 120.570 0.372 0.000 2.412 211 I HA 0.403 4.605 4.170 0.054 0.000 0.296 211 I C -0.438 175.785 176.117 0.177 0.000 0.987 211 I CA -0.530 60.953 61.300 0.305 0.000 1.180 211 I CB 1.512 39.716 38.000 0.340 0.000 1.340 211 I HN 0.664 nan 8.210 nan 0.000 0.455 212 M N 8.113 127.770 119.600 0.096 0.000 2.142 212 M HA 0.410 4.922 4.480 0.054 0.000 0.299 212 M C -1.768 174.708 176.300 0.294 0.000 0.960 212 M CA -0.536 54.688 55.300 -0.126 0.000 0.920 212 M CB 1.712 33.956 32.600 -0.592 0.000 1.541 212 M HN 0.546 nan 8.290 nan 0.000 0.429 213 Y N 1.392 121.799 120.300 0.180 0.000 2.665 213 Y HA 0.881 5.465 4.550 0.056 0.000 0.336 213 Y C -1.310 174.672 175.900 0.137 0.000 1.085 213 Y CA -1.476 56.765 58.100 0.236 0.000 1.096 213 Y CB 1.460 39.973 38.460 0.089 0.000 1.301 213 Y HN 0.539 nan 8.280 nan 0.000 0.493 214 S N -0.233 115.412 115.700 -0.092 0.000 2.619 214 S HA 0.364 4.866 4.470 0.054 0.000 0.280 214 S C -0.691 173.764 174.600 -0.241 0.000 1.150 214 S CA -0.631 57.270 58.200 -0.498 0.000 0.978 214 S CB 1.236 63.652 63.200 -1.307 0.000 1.041 214 S HN 0.819 nan 8.310 nan 0.000 0.485 215 E N 1.871 121.963 120.200 -0.179 0.000 2.474 215 E HA 0.055 4.437 4.350 0.054 0.000 0.194 215 E C -0.338 176.185 176.600 -0.129 0.000 1.041 215 E CA 0.294 56.645 56.400 -0.082 0.000 0.874 215 E CB 0.195 29.887 29.700 -0.013 0.000 0.914 215 E HN 0.727 nan 8.360 nan 0.000 0.498 216 D N -0.568 119.705 120.400 -0.212 0.000 2.788 216 D HA 0.049 4.721 4.640 0.054 0.000 0.289 216 D C -0.520 175.665 176.300 -0.193 0.000 1.340 216 D CA -0.470 53.428 54.000 -0.171 0.000 0.831 216 D CB 0.015 40.729 40.800 -0.143 0.000 1.103 216 D HN -0.236 nan 8.370 nan 0.000 0.476 217 D N -0.037 120.226 120.400 -0.229 0.000 2.811 217 D HA -0.159 4.514 4.640 0.054 0.000 0.231 217 D C 1.290 177.479 176.300 -0.185 0.000 1.157 217 D CA 1.842 55.725 54.000 -0.195 0.000 0.716 217 D CB -1.255 39.520 40.800 -0.042 0.000 1.077 217 D HN 0.737 nan 8.370 nan 0.000 0.428 218 G N -1.173 107.391 108.800 -0.393 0.000 2.255 218 G HA2 -0.310 3.682 3.960 0.054 0.000 0.196 218 G HA3 -0.310 3.682 3.960 0.054 0.000 0.196 218 G C 0.987 175.790 174.900 -0.162 0.000 0.998 218 G CA 0.428 45.387 45.100 -0.234 0.000 0.656 218 G HN 0.407 nan 8.290 nan 0.000 0.490 219 N N 0.558 119.141 118.700 -0.196 0.000 2.080 219 N HA 0.128 4.900 4.740 0.054 0.000 0.189 219 N C 1.433 176.865 175.510 -0.130 0.000 1.036 219 N CA 2.021 55.014 53.050 -0.094 0.000 0.846 219 N CB 0.030 38.474 38.487 -0.073 0.000 1.015 219 N HN 0.732 nan 8.380 nan 0.000 0.423 220 T N -3.290 111.082 114.554 -0.303 0.000 2.942 220 T HA 0.630 5.013 4.350 0.054 0.000 0.289 220 T C -1.264 173.122 174.700 -0.523 0.000 1.044 220 T CA -0.824 61.140 62.100 -0.227 0.000 1.023 220 T CB 1.425 70.220 68.868 -0.122 0.000 1.123 220 T HN 0.131 nan 8.240 nan 0.000 0.512 221 W N 0.314 121.599 121.300 -0.024 0.000 3.129 221 W HA 0.576 5.269 4.660 0.054 0.000 0.333 221 W C -0.504 175.940 176.519 -0.124 0.000 1.141 221 W CA -0.881 56.407 57.345 -0.096 0.000 1.224 221 W CB 2.106 31.555 29.460 -0.019 0.000 1.393 221 W HN 0.547 nan 8.180 nan 0.000 0.499 222 K N 2.197 122.520 120.400 -0.129 0.000 2.328 222 K HA 0.621 4.974 4.320 0.054 0.000 0.246 222 K C -1.439 175.096 176.600 -0.107 0.000 0.955 222 K CA -1.184 55.024 56.287 -0.131 0.000 0.817 222 K CB 2.261 34.532 32.500 -0.381 0.000 1.208 222 K HN 0.214 nan 8.250 nan 0.000 0.432 223 F N 1.328 121.355 119.950 0.130 0.000 2.411 223 F HA 0.306 4.870 4.527 0.061 0.000 0.352 223 F C 0.751 176.694 175.800 0.239 0.000 1.123 223 F CA -0.525 57.602 58.000 0.212 0.000 1.044 223 F CB 1.387 40.560 39.000 0.289 0.000 1.135 223 F HN 0.605 nan 8.300 nan 0.000 0.461 224 A N 3.390 126.461 122.820 0.419 0.000 2.448 224 A HA 0.123 4.475 4.320 0.054 0.000 0.239 224 A C 1.240 178.931 177.584 0.179 0.000 1.080 224 A CA -0.145 52.103 52.037 0.352 0.000 0.779 224 A CB 0.274 19.484 19.000 0.350 0.000 1.026 224 A HN 0.915 nan 8.150 nan 0.000 0.499 225 E N 1.251 121.525 120.200 0.123 0.000 2.158 225 E HA 0.023 4.405 4.350 0.054 0.000 0.191 225 E C 1.327 177.827 176.600 -0.166 0.000 0.982 225 E CA 0.503 56.910 56.400 0.012 0.000 0.823 225 E CB -0.138 29.590 29.700 0.046 0.000 0.766 225 E HN 0.800 nan 8.360 nan 0.000 0.468 226 G N 1.629 110.296 108.800 -0.222 0.000 2.683 226 G HA2 0.256 4.248 3.960 0.054 0.000 0.260 226 G HA3 0.256 4.248 3.960 0.054 0.000 0.260 226 G C 0.024 174.222 174.900 -1.170 0.000 1.238 226 G CA -0.247 44.435 45.100 -0.696 0.000 0.934 226 G HN 0.223 nan 8.290 nan 0.000 0.534 227 R N -2.362 117.137 120.500 -1.669 0.000 2.774 227 R HA 0.532 4.904 4.340 0.054 0.000 0.279 227 R C -0.391 175.152 176.300 -1.262 0.000 1.022 227 R CA -0.356 54.863 56.100 -1.469 0.000 0.855 227 R CB 0.370 30.172 30.300 -0.831 0.000 1.279 227 R HN 0.807 nan 8.270 nan 0.000 0.485 228 S N 0.307 115.523 115.700 -0.806 0.000 2.694 228 S HA 0.471 4.973 4.470 0.054 0.000 0.278 228 S C -0.090 174.303 174.600 -0.345 0.000 1.152 228 S CA -0.877 57.006 58.200 -0.527 0.000 1.010 228 S CB 1.008 64.107 63.200 -0.167 0.000 1.104 228 S HN 0.604 nan 8.310 nan 0.000 0.547 229 K N -0.526 119.828 120.400 -0.077 0.000 2.120 229 K HA 0.379 4.731 4.320 0.054 0.000 0.245 229 K C -0.764 175.789 176.600 -0.079 0.000 1.024 229 K CA -0.320 55.924 56.287 -0.073 0.000 0.906 229 K CB 0.132 32.715 32.500 0.139 0.000 1.051 229 K HN 0.497 nan 8.250 nan 0.000 0.491 230 F N 0.172 120.162 119.950 0.067 0.000 2.518 230 F HA 0.176 4.734 4.527 0.050 0.000 0.359 230 F C 1.613 177.485 175.800 0.120 0.000 1.118 230 F CA 1.482 59.546 58.000 0.107 0.000 1.287 230 F CB 0.897 39.934 39.000 0.063 0.000 1.132 230 F HN 0.783 nan 8.300 nan 0.000 0.587 231 G N 0.461 109.449 108.800 0.313 0.000 2.218 231 G HA2 -0.243 3.750 3.960 0.054 0.000 0.216 231 G HA3 -0.243 3.750 3.960 0.054 0.000 0.216 231 G C -0.279 174.735 174.900 0.189 0.000 0.994 231 G CA -0.413 44.816 45.100 0.215 0.000 0.637 231 G HN 0.749 nan 8.290 nan 0.000 0.505 232 C N 2.378 121.800 119.300 0.204 0.000 2.527 232 C HA 0.798 5.290 4.460 0.054 0.000 0.396 232 C C 1.047 176.147 174.990 0.183 0.000 1.289 232 C CA 0.415 59.551 59.018 0.196 0.000 2.047 232 C CB 0.432 28.305 27.740 0.223 0.000 2.568 232 C HN 1.117 nan 8.230 nan 0.000 0.573 233 S N 0.516 116.317 115.700 0.170 0.000 2.720 233 S HA 0.542 5.044 4.470 0.054 0.000 0.287 233 S C -0.799 173.884 174.600 0.140 0.000 1.168 233 S CA -0.710 57.591 58.200 0.168 0.000 0.832 233 S CB 0.434 63.745 63.200 0.184 0.000 1.166 233 S HN 0.752 nan 8.310 nan 0.000 0.493 234 E N 1.657 121.933 120.200 0.127 0.000 2.024 234 E HA -0.139 4.244 4.350 0.054 0.000 0.171 234 E C -2.220 174.430 176.600 0.084 0.000 1.417 234 E CA 0.525 56.975 56.400 0.083 0.000 0.650 234 E CB -1.140 28.577 29.700 0.028 0.000 1.044 234 E HN 0.481 nan 8.360 nan 0.000 0.308 235 P HA 0.309 nan 4.420 nan 0.000 0.281 235 P C -0.991 176.393 177.300 0.141 0.000 1.249 235 P CA -0.353 62.831 63.100 0.140 0.000 0.810 235 P CB 1.630 33.439 31.700 0.182 0.000 1.008 236 A N 1.989 124.902 122.820 0.154 0.000 2.393 236 A HA 0.630 4.982 4.320 0.054 0.000 0.306 236 A C -1.144 176.607 177.584 0.277 0.000 1.050 236 A CA -0.787 51.374 52.037 0.207 0.000 0.724 236 A CB 1.742 20.874 19.000 0.219 0.000 1.248 236 A HN 0.414 nan 8.150 nan 0.000 0.424 237 V N 3.158 123.227 119.914 0.259 0.000 2.914 237 V HA 0.892 5.044 4.120 0.054 0.000 0.314 237 V C -1.236 174.968 176.094 0.183 0.000 1.084 237 V CA -0.453 61.985 62.300 0.230 0.000 0.963 237 V CB 1.862 33.762 31.823 0.129 0.000 1.025 237 V HN 1.479 nan 8.190 nan 0.000 0.432 238 L N 2.161 123.458 121.223 0.123 0.000 2.630 238 L HA 0.765 5.137 4.340 0.054 0.000 0.258 238 L C -0.864 176.039 176.870 0.054 0.000 1.072 238 L CA -0.649 54.208 54.840 0.029 0.000 0.885 238 L CB 1.739 43.712 42.059 -0.143 0.000 1.502 238 L HN 0.716 nan 8.230 nan 0.000 0.406 239 E N 0.627 120.867 120.200 0.067 0.000 2.171 239 E HA 0.431 4.813 4.350 0.054 0.000 0.271 239 E C -2.060 174.656 176.600 0.193 0.000 0.916 239 E CA -0.687 55.768 56.400 0.092 0.000 0.774 239 E CB 1.504 31.228 29.700 0.041 0.000 1.128 239 E HN 0.689 nan 8.360 nan 0.000 0.403 240 W N 5.353 126.635 121.300 -0.030 0.000 2.968 240 W HA 0.206 4.898 4.660 0.053 0.000 0.337 240 W C -0.917 175.594 176.519 -0.014 0.000 1.060 240 W CA -0.545 56.788 57.345 -0.021 0.000 1.240 240 W CB 1.168 30.619 29.460 -0.016 0.000 1.370 240 W HN 0.824 nan 8.180 nan 0.000 0.459 241 E N 3.344 123.234 120.200 -0.516 0.000 2.202 241 E HA -0.243 4.139 4.350 0.054 0.000 0.214 241 E C 1.116 177.644 176.600 -0.119 0.000 1.303 241 E CA 1.449 57.629 56.400 -0.367 0.000 0.714 241 E CB -1.095 28.354 29.700 -0.419 0.000 1.130 241 E HN 0.981 nan 8.360 nan 0.000 0.356 242 G N -0.607 108.146 108.800 -0.079 0.000 2.234 242 G HA2 -0.333 3.660 3.960 0.054 0.000 0.235 242 G HA3 -0.333 3.660 3.960 0.054 0.000 0.235 242 G C 0.254 175.151 174.900 -0.005 0.000 0.997 242 G CA 0.576 45.654 45.100 -0.037 0.000 0.623 242 G HN 0.311 nan 8.290 nan 0.000 0.514 243 K N -0.176 120.244 120.400 0.034 0.000 2.211 243 K HA 0.824 5.176 4.320 0.054 0.000 0.237 243 K C -0.142 176.483 176.600 0.042 0.000 1.002 243 K CA -0.913 55.395 56.287 0.036 0.000 0.885 243 K CB 1.723 34.262 32.500 0.064 0.000 1.136 243 K HN 0.107 nan 8.250 nan 0.000 0.448 244 L N 2.241 123.457 121.223 -0.011 0.000 2.309 244 L HA 0.486 4.858 4.340 0.054 0.000 0.282 244 L C -0.537 176.318 176.870 -0.025 0.000 1.036 244 L CA -0.728 54.096 54.840 -0.026 0.000 0.806 244 L CB 0.914 42.912 42.059 -0.101 0.000 1.220 244 L HN 0.406 nan 8.230 nan 0.000 0.429 245 I N 4.660 125.263 120.570 0.054 0.000 2.362 245 I HA 0.387 4.589 4.170 0.054 0.000 0.289 245 I C -0.368 175.848 176.117 0.164 0.000 0.994 245 I CA -0.423 60.948 61.300 0.118 0.000 1.158 245 I CB 1.716 39.853 38.000 0.229 0.000 1.315 245 I HN 0.421 nan 8.210 nan 0.000 0.451 246 I N 5.516 126.121 120.570 0.058 0.000 2.330 246 I HA 0.308 4.510 4.170 0.054 0.000 0.289 246 I C -0.244 175.940 176.117 0.110 0.000 1.001 246 I CA -0.490 60.846 61.300 0.059 0.000 1.193 246 I CB 1.208 39.117 38.000 -0.151 0.000 1.345 246 I HN 0.520 nan 8.210 nan 0.000 0.461 247 N N 7.307 126.045 118.700 0.064 0.000 2.501 247 N HA 0.290 5.062 4.740 0.054 0.000 0.245 247 N C -1.023 174.520 175.510 0.055 0.000 0.974 247 N CA -0.298 52.717 53.050 -0.059 0.000 0.941 247 N CB 0.986 39.188 38.487 -0.475 0.000 1.122 247 N HN 0.582 nan 8.380 nan 0.000 0.507 248 N N 1.776 120.549 118.700 0.122 0.000 2.489 248 N HA 0.220 4.992 4.740 0.054 0.000 0.284 248 N C -0.071 175.518 175.510 0.132 0.000 1.158 248 N CA -0.464 52.678 53.050 0.153 0.000 0.965 248 N CB 2.113 40.733 38.487 0.223 0.000 1.195 248 N HN 0.451 nan 8.380 nan 0.000 0.506 249 R N 0.681 121.252 120.500 0.119 0.000 2.410 249 R HA 0.386 4.758 4.340 0.054 0.000 0.288 249 R C -1.314 175.062 176.300 0.127 0.000 1.051 249 R CA -0.305 55.860 56.100 0.109 0.000 1.021 249 R CB 0.586 30.924 30.300 0.064 0.000 1.032 249 R HN 0.279 nan 8.270 nan 0.000 0.481 250 V N 4.650 124.637 119.914 0.122 0.000 2.516 250 V HA 0.104 4.256 4.120 0.054 0.000 0.271 250 V C -1.079 175.073 176.094 0.097 0.000 0.992 250 V CA -0.974 61.394 62.300 0.113 0.000 0.857 250 V CB 1.243 33.127 31.823 0.101 0.000 1.047 250 V HN 0.851 nan 8.190 nan 0.000 0.455 251 D N 3.633 124.094 120.400 0.102 0.000 2.472 251 D HA 0.324 4.996 4.640 0.054 0.000 0.248 251 D C 1.330 177.675 176.300 0.075 0.000 1.174 251 D CA 1.984 56.040 54.000 0.094 0.000 0.883 251 D CB 1.243 42.102 40.800 0.098 0.000 1.149 251 D HN 0.987 nan 8.370 nan 0.000 0.488 252 G N 2.446 111.284 108.800 0.063 0.000 2.143 252 G HA2 -0.304 3.689 3.960 0.054 0.000 0.248 252 G HA3 -0.304 3.689 3.960 0.054 0.000 0.248 252 G C 0.349 175.264 174.900 0.026 0.000 0.991 252 G CA 0.292 45.419 45.100 0.045 0.000 0.689 252 G HN 0.706 nan 8.290 nan 0.000 0.522 253 N N -1.949 116.759 118.700 0.014 0.000 3.322 253 N HA 0.329 5.102 4.740 0.054 0.000 0.233 253 N C 0.071 175.532 175.510 -0.080 0.000 1.399 253 N CA -1.143 51.889 53.050 -0.029 0.000 0.894 253 N CB 0.890 39.377 38.487 -0.000 0.000 1.440 253 N HN 0.227 nan 8.380 nan 0.000 0.503 254 R N 1.047 121.416 120.500 -0.219 0.000 2.827 254 R HA 0.173 4.545 4.340 0.054 0.000 0.269 254 R C -0.147 176.023 176.300 -0.216 0.000 1.048 254 R CA 0.146 56.050 56.100 -0.327 0.000 1.173 254 R CB 0.295 30.182 30.300 -0.688 0.000 1.070 254 R HN 0.370 nan 8.270 nan 0.000 0.498 255 R N 1.506 121.934 120.500 -0.120 0.000 2.298 255 R HA 0.186 4.558 4.340 0.054 0.000 0.310 255 R C -0.278 176.056 176.300 0.057 0.000 1.068 255 R CA -0.255 55.854 56.100 0.015 0.000 0.957 255 R CB 0.404 30.750 30.300 0.075 0.000 1.003 255 R HN 0.312 nan 8.270 nan 0.000 0.454 256 L N 3.179 124.471 121.223 0.114 0.000 2.334 256 L HA 0.465 4.837 4.340 0.054 0.000 0.277 256 L C -0.395 176.501 176.870 0.043 0.000 1.075 256 L CA -0.804 54.092 54.840 0.092 0.000 0.804 256 L CB 1.617 43.772 42.059 0.161 0.000 1.174 256 L HN 0.290 nan 8.230 nan 0.000 0.438 257 V N 2.468 122.299 119.914 -0.138 0.000 2.709 257 V HA 0.492 4.645 4.120 0.054 0.000 0.308 257 V C -1.049 174.899 176.094 -0.243 0.000 1.062 257 V CA -0.745 61.507 62.300 -0.081 0.000 0.901 257 V CB 1.824 33.595 31.823 -0.086 0.000 1.003 257 V HN 0.433 nan 8.190 nan 0.000 0.425 258 Y N 1.104 121.388 120.300 -0.026 0.000 2.602 258 Y HA 0.690 5.273 4.550 0.056 0.000 0.342 258 Y C 0.246 176.065 175.900 -0.135 0.000 1.029 258 Y CA -1.028 57.040 58.100 -0.053 0.000 1.080 258 Y CB 1.804 40.267 38.460 0.006 0.000 1.284 258 Y HN 0.565 nan 8.280 nan 0.000 0.485 259 E N 0.097 120.323 120.200 0.045 0.000 2.336 259 E HA 0.676 5.058 4.350 0.054 0.000 0.267 259 E C -1.397 175.146 176.600 -0.095 0.000 0.906 259 E CA -1.032 55.348 56.400 -0.033 0.000 0.781 259 E CB 2.422 32.131 29.700 0.015 0.000 1.261 259 E HN 0.363 nan 8.360 nan 0.000 0.436 260 S N 0.117 115.751 115.700 -0.110 0.000 2.616 260 S HA 0.167 4.669 4.470 0.054 0.000 0.276 260 S C -0.432 174.141 174.600 -0.044 0.000 1.159 260 S CA -0.552 57.591 58.200 -0.095 0.000 1.000 260 S CB 0.986 64.036 63.200 -0.250 0.000 1.117 260 S HN 0.398 nan 8.310 nan 0.000 0.464 261 S N 2.476 118.175 115.700 -0.002 0.000 2.558 261 S HA 0.084 4.586 4.470 0.054 0.000 0.217 261 S C 0.049 174.644 174.600 -0.008 0.000 0.975 261 S CA 0.165 58.365 58.200 -0.001 0.000 0.912 261 S CB -0.238 62.970 63.200 0.014 0.000 0.776 261 S HN 0.852 nan 8.310 nan 0.000 0.526 262 D N 0.059 120.458 120.400 -0.002 0.000 2.943 262 D HA 0.425 5.097 4.640 0.054 0.000 0.347 262 D C 0.229 176.505 176.300 -0.041 0.000 1.305 262 D CA -0.740 53.256 54.000 -0.006 0.000 0.870 262 D CB 0.045 40.861 40.800 0.027 0.000 1.081 262 D HN -0.095 nan 8.370 nan 0.000 0.492 263 M N 1.069 120.606 119.600 -0.104 0.000 2.436 263 M HA -0.192 4.320 4.480 0.054 0.000 0.197 263 M C 1.067 177.260 176.300 -0.178 0.000 0.442 263 M CA 1.256 56.417 55.300 -0.231 0.000 0.473 263 M CB -1.393 30.964 32.600 -0.405 0.000 1.685 263 M HN 0.999 nan 8.290 nan 0.000 0.835 264 G N -1.228 107.573 108.800 0.000 0.000 2.195 264 G HA2 -0.353 3.639 3.960 0.054 0.000 0.224 264 G HA3 -0.353 3.639 3.960 0.054 0.000 0.224 264 G C 0.548 175.671 174.900 0.372 0.000 0.990 264 G CA 0.735 45.989 45.100 0.257 0.000 0.639 264 G HN 0.699 nan 8.290 nan 0.000 0.514 265 K N 0.314 120.832 120.400 0.197 0.000 2.044 265 K HA -0.005 4.347 4.320 0.054 0.000 0.210 265 K C 1.152 177.864 176.600 0.187 0.000 1.049 265 K CA 2.065 58.451 56.287 0.166 0.000 0.927 265 K CB -0.116 32.449 32.500 0.109 0.000 0.713 265 K HN 0.561 nan 8.250 nan 0.000 0.443 266 T N -0.617 114.091 114.554 0.257 0.000 2.916 266 T HA 0.420 4.802 4.350 0.054 0.000 0.298 266 T C -1.974 173.003 174.700 0.461 0.000 1.031 266 T CA -0.928 61.335 62.100 0.272 0.000 0.993 266 T CB 0.518 69.473 68.868 0.146 0.000 1.045 266 T HN 0.191 nan 8.240 nan 0.000 0.454 267 W N 3.523 124.830 121.300 0.012 0.000 2.573 267 W HA 0.714 5.407 4.660 0.055 0.000 0.326 267 W C -0.898 175.693 176.519 0.120 0.000 1.049 267 W CA -0.998 56.380 57.345 0.054 0.000 1.220 267 W CB 1.456 30.895 29.460 -0.034 0.000 1.373 267 W HN 0.465 nan 8.180 nan 0.000 0.507 268 V N 1.951 122.072 119.914 0.345 0.000 2.656 268 V HA 0.242 4.394 4.120 0.054 0.000 0.307 268 V C -0.032 176.166 176.094 0.173 0.000 1.051 268 V CA -1.475 60.958 62.300 0.222 0.000 0.893 268 V CB 1.754 33.642 31.823 0.108 0.000 0.999 268 V HN 0.505 nan 8.190 nan 0.000 0.426 269 E N 2.650 122.860 120.200 0.017 0.000 2.392 269 E HA 0.377 4.760 4.350 0.054 0.000 0.264 269 E C 0.319 176.768 176.600 -0.251 0.000 1.024 269 E CA -0.189 56.025 56.400 -0.309 0.000 0.903 269 E CB 1.148 30.601 29.700 -0.411 0.000 0.963 269 E HN 0.881 nan 8.360 nan 0.000 0.432 270 A N 6.184 128.845 122.820 -0.265 0.000 3.118 270 A HA 0.146 4.498 4.320 0.054 0.000 0.256 270 A C 0.974 178.427 177.584 -0.218 0.000 1.667 270 A CA -0.214 51.714 52.037 -0.182 0.000 1.338 270 A CB -0.519 18.408 19.000 -0.121 0.000 1.127 270 A HN 0.760 nan 8.150 nan 0.000 0.634 271 L N -0.101 120.924 121.223 -0.330 0.000 2.362 271 L HA -0.074 4.298 4.340 0.054 0.000 0.219 271 L C 2.140 178.941 176.870 -0.116 0.000 1.134 271 L CA 1.201 55.814 54.840 -0.379 0.000 0.807 271 L CB -0.011 41.549 42.059 -0.832 0.000 0.927 271 L HN 0.636 nan 8.230 nan 0.000 0.447 272 G N -1.572 107.230 108.800 0.004 0.000 3.434 272 G HA2 0.210 4.203 3.960 0.054 0.000 0.258 272 G HA3 0.210 4.203 3.960 0.054 0.000 0.258 272 G C 0.819 175.747 174.900 0.047 0.000 1.128 272 G CA 0.712 45.925 45.100 0.188 0.000 0.792 272 G HN 0.385 nan 8.290 nan 0.000 0.539 273 T N -2.308 112.243 114.554 -0.005 0.000 3.471 273 T HA 0.165 4.547 4.350 0.054 0.000 0.165 273 T C 1.617 176.258 174.700 -0.098 0.000 0.879 273 T CA -0.119 61.939 62.100 -0.069 0.000 0.931 273 T CB 0.138 68.951 68.868 -0.093 0.000 1.172 273 T HN -0.030 nan 8.240 nan 0.000 0.290 274 L N 0.968 122.107 121.223 -0.139 0.000 2.672 274 L HA 0.448 4.820 4.340 0.054 0.000 0.236 274 L C 1.097 177.820 176.870 -0.245 0.000 1.092 274 L CA -0.204 54.497 54.840 -0.233 0.000 0.887 274 L CB 0.462 42.430 42.059 -0.152 0.000 1.168 274 L HN 0.273 nan 8.230 nan 0.000 0.502 275 S N 0.011 115.603 115.700 -0.180 0.000 2.546 275 S HA 0.005 4.507 4.470 0.054 0.000 0.290 275 S C 0.920 175.476 174.600 -0.074 0.000 1.290 275 S CA 0.372 58.478 58.200 -0.157 0.000 1.069 275 S CB -0.341 62.717 63.200 -0.237 0.000 0.846 275 S HN 0.529 nan 8.310 nan 0.000 0.495 276 H N 0.590 119.533 119.070 -0.212 0.000 3.415 276 H HA -0.172 4.416 4.556 0.053 0.000 0.213 276 H C 1.006 176.167 175.328 -0.278 0.000 1.091 276 H CA 0.689 56.619 56.048 -0.196 0.000 1.182 276 H CB -1.622 28.043 29.762 -0.163 0.000 1.160 276 H HN 0.447 nan 8.280 nan 0.000 0.319 277 V N -0.271 119.436 119.914 -0.345 0.000 2.323 277 V HA -0.157 3.995 4.120 0.054 0.000 0.244 277 V C 1.391 177.057 176.094 -0.714 0.000 1.041 277 V CA 1.691 63.599 62.300 -0.654 0.000 1.025 277 V CB -0.069 31.075 31.823 -1.131 0.000 0.656 277 V HN 0.279 nan 8.190 nan 0.000 0.451 278 W N -0.666 120.392 121.300 -0.404 0.000 2.516 278 W HA 0.616 5.308 4.660 0.053 0.000 0.343 278 W C 0.322 176.635 176.519 -0.343 0.000 1.094 278 W CA -0.144 56.929 57.345 -0.454 0.000 1.250 278 W CB 1.139 30.238 29.460 -0.601 0.000 1.308 278 W HN -0.016 nan 8.180 nan 0.000 0.588 279 T N -0.162 114.319 114.554 -0.122 0.000 2.654 279 T HA 0.166 4.548 4.350 0.054 0.000 0.289 279 T C 0.847 175.439 174.700 -0.181 0.000 1.062 279 T CA -0.529 61.489 62.100 -0.137 0.000 1.041 279 T CB 0.897 69.684 68.868 -0.134 0.000 1.417 279 T HN 0.520 nan 8.240 nan 0.000 0.510 280 N N 0.207 118.872 118.700 -0.059 0.000 2.325 280 N HA 0.167 4.940 4.740 0.054 0.000 0.182 280 N C 0.066 175.593 175.510 0.030 0.000 1.088 280 N CA 0.164 53.232 53.050 0.031 0.000 0.879 280 N CB 0.371 38.910 38.487 0.087 0.000 0.983 280 N HN 0.684 nan 8.380 nan 0.000 0.471 281 S N -1.516 114.178 115.700 -0.010 0.000 2.707 281 S HA 0.193 4.695 4.470 0.054 0.000 0.270 281 S C -2.828 171.762 174.600 -0.017 0.000 1.031 281 S CA -0.821 57.380 58.200 0.001 0.000 0.866 281 S CB 1.378 64.588 63.200 0.018 0.000 1.114 281 S HN -0.275 nan 8.310 nan 0.000 0.465 282 P HA -0.128 nan 4.420 nan 0.000 0.217 282 P C 1.602 178.887 177.300 -0.024 0.000 1.151 282 P CA 2.714 65.802 63.100 -0.020 0.000 0.849 282 P CB -0.330 31.363 31.700 -0.013 0.000 0.787 283 T N -6.637 107.907 114.554 -0.017 0.000 3.065 283 T HA 0.132 4.515 4.350 0.054 0.000 0.252 283 T C 1.068 175.756 174.700 -0.020 0.000 1.099 283 T CA 0.502 62.592 62.100 -0.016 0.000 1.063 283 T CB -0.793 68.070 68.868 -0.007 0.000 0.948 283 T HN -0.062 nan 8.240 nan 0.000 0.506 284 S N 2.066 117.753 115.700 -0.021 0.000 3.476 284 S HA -0.163 4.339 4.470 0.054 0.000 0.309 284 S C 0.765 175.360 174.600 -0.009 0.000 1.222 284 S CA 0.944 59.127 58.200 -0.028 0.000 0.922 284 S CB -1.993 61.171 63.200 -0.059 0.000 1.023 284 S HN 0.954 nan 8.310 nan 0.000 0.591 285 N N -0.364 118.340 118.700 0.006 0.000 2.197 285 N HA 0.099 4.872 4.740 0.054 0.000 0.228 285 N C -0.003 175.528 175.510 0.035 0.000 1.212 285 N CA -0.357 52.704 53.050 0.019 0.000 0.883 285 N CB 0.274 38.770 38.487 0.015 0.000 1.107 285 N HN 0.291 nan 8.380 nan 0.000 0.519 286 Q N 0.524 120.348 119.800 0.041 0.000 2.185 286 Q HA 0.170 4.542 4.340 0.054 0.000 0.225 286 Q C -0.176 175.875 176.000 0.084 0.000 0.983 286 Q CA -0.482 55.358 55.803 0.061 0.000 0.950 286 Q CB 1.007 29.778 28.738 0.055 0.000 1.176 286 Q HN 0.386 nan 8.270 nan 0.000 0.510 287 Q N 1.004 120.871 119.800 0.112 0.000 2.361 287 Q HA -0.045 4.328 4.340 0.054 0.000 0.276 287 Q C -0.555 175.529 176.000 0.140 0.000 1.022 287 Q CA 0.136 56.020 55.803 0.136 0.000 0.898 287 Q CB 0.655 29.502 28.738 0.182 0.000 1.246 287 Q HN 0.414 nan 8.270 nan 0.000 0.410 288 D N 1.327 121.809 120.400 0.137 0.000 2.511 288 D HA 0.427 5.099 4.640 0.054 0.000 0.276 288 D C -1.226 175.143 176.300 0.115 0.000 1.220 288 D CA -0.543 53.546 54.000 0.149 0.000 1.077 288 D CB 1.303 42.188 40.800 0.141 0.000 1.126 288 D HN 0.598 nan 8.370 nan 0.000 0.583 289 C N 0.304 119.618 119.300 0.024 0.000 3.288 289 C HA 0.382 4.874 4.460 0.054 0.000 0.318 289 C C -0.723 174.025 174.990 -0.404 0.000 1.356 289 C CA -0.651 58.271 59.018 -0.160 0.000 1.359 289 C CB 1.364 29.013 27.740 -0.152 0.000 1.688 289 C HN 0.626 nan 8.230 nan 0.000 0.467 290 Q N 2.121 121.527 119.800 -0.658 0.000 2.454 290 Q HA 0.517 4.889 4.340 0.054 0.000 0.247 290 Q C -0.776 174.874 176.000 -0.583 0.000 1.028 290 Q CA 0.804 56.186 55.803 -0.701 0.000 0.910 290 Q CB 1.189 29.157 28.738 -1.283 0.000 1.276 290 Q HN 0.865 nan 8.270 nan 0.000 0.489 291 S N 0.646 116.099 115.700 -0.411 0.000 2.556 291 S HA 0.397 4.899 4.470 0.054 0.000 0.271 291 S C -1.392 173.065 174.600 -0.238 0.000 1.135 291 S CA -0.717 57.222 58.200 -0.435 0.000 0.858 291 S CB 1.757 64.609 63.200 -0.581 0.000 1.114 291 S HN 0.707 nan 8.310 nan 0.000 0.468 292 S N 1.194 116.759 115.700 -0.225 0.000 2.525 292 S HA 0.812 5.314 4.470 0.054 0.000 0.290 292 S C -1.171 173.509 174.600 0.133 0.000 1.152 292 S CA -0.556 57.637 58.200 -0.011 0.000 1.072 292 S CB 0.776 63.992 63.200 0.026 0.000 1.027 292 S HN 0.516 nan 8.310 nan 0.000 0.500 293 F N 2.429 122.407 119.950 0.047 0.000 2.771 293 F HA 0.588 5.147 4.527 0.053 0.000 0.365 293 F C -1.319 174.557 175.800 0.127 0.000 1.169 293 F CA -1.289 56.788 58.000 0.129 0.000 1.093 293 F CB 1.082 40.183 39.000 0.167 0.000 1.363 293 F HN 0.529 nan 8.300 nan 0.000 0.496 294 V N 4.217 124.159 119.914 0.046 0.000 2.789 294 V HA 0.816 4.968 4.120 0.054 0.000 0.311 294 V C -0.297 175.782 176.094 -0.024 0.000 1.073 294 V CA -0.929 61.379 62.300 0.014 0.000 0.921 294 V CB 1.836 33.722 31.823 0.105 0.000 1.009 294 V HN 0.821 nan 8.190 nan 0.000 0.426 295 A N 4.134 126.955 122.820 0.002 0.000 2.301 295 A HA 0.887 5.240 4.320 0.054 0.000 0.298 295 A C -0.381 177.277 177.584 0.124 0.000 1.185 295 A CA -0.292 51.787 52.037 0.071 0.000 0.830 295 A CB 1.098 20.163 19.000 0.108 0.000 1.112 295 A HN 1.581 nan 8.150 nan 0.000 0.508 296 V N -0.410 119.591 119.914 0.145 0.000 3.181 296 V HA 0.864 5.016 4.120 0.054 0.000 0.308 296 V C -0.442 175.747 176.094 0.158 0.000 1.214 296 V CA -0.595 61.805 62.300 0.166 0.000 1.053 296 V CB 1.634 33.537 31.823 0.134 0.000 1.069 296 V HN 0.706 nan 8.190 nan 0.000 0.441 297 T N 3.272 117.939 114.554 0.189 0.000 2.770 297 T HA 0.729 5.111 4.350 0.054 0.000 0.283 297 T C -0.446 174.349 174.700 0.159 0.000 0.988 297 T CA 0.015 62.211 62.100 0.160 0.000 0.957 297 T CB 0.596 69.550 68.868 0.144 0.000 0.930 297 T HN 0.637 nan 8.240 nan 0.000 0.443 298 I N 2.450 123.066 120.570 0.077 0.000 2.436 298 I HA 0.328 4.530 4.170 0.054 0.000 0.289 298 I C 0.538 176.683 176.117 0.047 0.000 1.010 298 I CA -0.776 60.540 61.300 0.027 0.000 1.098 298 I CB 1.772 39.711 38.000 -0.102 0.000 1.266 298 I HN 0.634 nan 8.210 nan 0.000 0.434 299 E N 4.571 124.805 120.200 0.058 0.000 2.328 299 E HA -0.244 4.138 4.350 0.054 0.000 0.233 299 E C 0.926 177.560 176.600 0.056 0.000 1.219 299 E CA 1.061 57.488 56.400 0.044 0.000 0.717 299 E CB -1.082 28.624 29.700 0.011 0.000 1.210 299 E HN 1.107 nan 8.360 nan 0.000 0.381 300 G N -0.226 108.616 108.800 0.070 0.000 2.153 300 G HA2 -0.399 3.593 3.960 0.054 0.000 0.252 300 G HA3 -0.399 3.593 3.960 0.054 0.000 0.252 300 G C 0.144 175.090 174.900 0.077 0.000 0.994 300 G CA 0.617 45.757 45.100 0.066 0.000 0.698 300 G HN 0.436 nan 8.290 nan 0.000 0.521 301 K N -0.326 120.132 120.400 0.097 0.000 2.426 301 K HA 0.598 4.950 4.320 0.054 0.000 0.254 301 K C 0.102 176.796 176.600 0.157 0.000 0.936 301 K CA -1.198 55.167 56.287 0.131 0.000 0.801 301 K CB 0.971 33.576 32.500 0.175 0.000 1.139 301 K HN 0.073 nan 8.250 nan 0.000 0.424 302 R N 2.773 123.366 120.500 0.156 0.000 2.316 302 R HA 0.210 4.583 4.340 0.054 0.000 0.314 302 R C -0.599 175.965 176.300 0.440 0.000 1.069 302 R CA -0.075 56.149 56.100 0.207 0.000 0.959 302 R CB 0.380 30.698 30.300 0.030 0.000 0.987 302 R HN 0.456 nan 8.270 nan 0.000 0.446 303 V N 0.810 120.964 119.914 0.400 0.000 3.156 303 V HA 0.651 4.803 4.120 0.054 0.000 0.310 303 V C -0.481 175.748 176.094 0.226 0.000 1.234 303 V CA -1.254 61.265 62.300 0.365 0.000 1.065 303 V CB 2.354 34.354 31.823 0.294 0.000 1.088 303 V HN 0.628 nan 8.190 nan 0.000 0.451 304 M N 1.682 121.346 119.600 0.107 0.000 2.321 304 M HA 0.624 5.136 4.480 0.054 0.000 0.315 304 M C -1.374 175.028 176.300 0.170 0.000 1.052 304 M CA -0.354 54.964 55.300 0.030 0.000 0.936 304 M CB 2.134 34.641 32.600 -0.156 0.000 1.639 304 M HN 0.532 nan 8.290 nan 0.000 0.433 305 L N 3.169 124.490 121.223 0.163 0.000 2.307 305 L HA 0.624 4.997 4.340 0.054 0.000 0.284 305 L C -1.229 175.872 176.870 0.384 0.000 1.023 305 L CA -0.486 54.506 54.840 0.254 0.000 0.810 305 L CB 1.285 43.443 42.059 0.164 0.000 1.231 305 L HN 0.580 nan 8.230 nan 0.000 0.423 306 F N 2.389 122.485 119.950 0.242 0.000 2.556 306 F HA 0.652 5.211 4.527 0.053 0.000 0.314 306 F C -0.136 175.766 175.800 0.171 0.000 1.106 306 F CA -0.289 57.779 58.000 0.113 0.000 0.911 306 F CB 2.061 40.877 39.000 -0.306 0.000 1.190 306 F HN 0.480 nan 8.300 nan 0.000 0.448 307 T N 2.148 116.281 114.554 -0.701 0.000 2.907 307 T HA 0.623 5.005 4.350 0.054 0.000 0.292 307 T C -1.460 172.883 174.700 -0.594 0.000 1.043 307 T CA -0.625 61.271 62.100 -0.339 0.000 1.003 307 T CB 1.848 70.620 68.868 -0.159 0.000 1.084 307 T HN 0.845 nan 8.240 nan 0.000 0.483 308 H N 0.662 119.656 119.070 -0.127 0.000 3.041 308 H HA 0.310 4.898 4.556 0.054 0.000 0.293 308 H C -3.368 172.064 175.328 0.172 0.000 1.166 308 H CA -0.874 55.124 56.048 -0.083 0.000 1.529 308 H CB 1.867 31.513 29.762 -0.193 0.000 2.050 308 H HN 0.482 nan 8.280 nan 0.000 0.505 309 P HA 0.215 nan 4.420 nan 0.000 0.277 309 P C 1.124 178.631 177.300 0.345 0.000 1.240 309 P CA -0.444 62.842 63.100 0.310 0.000 0.798 309 P CB 1.300 33.110 31.700 0.183 0.000 0.979 310 L N 0.715 122.082 121.223 0.240 0.000 2.179 310 L HA -0.027 4.345 4.340 0.054 0.000 0.208 310 L C 0.573 177.508 176.870 0.108 0.000 1.096 310 L CA 0.776 55.711 54.840 0.158 0.000 0.779 310 L CB -0.673 41.461 42.059 0.125 0.000 0.922 310 L HN 0.528 nan 8.230 nan 0.000 0.443 311 N N -0.077 118.686 118.700 0.106 0.000 2.727 311 N HA -0.215 4.557 4.740 0.054 0.000 0.251 311 N C 0.567 176.096 175.510 0.031 0.000 1.040 311 N CA 0.243 53.334 53.050 0.068 0.000 0.712 311 N CB -1.259 37.283 38.487 0.093 0.000 0.912 311 N HN 0.241 nan 8.380 nan 0.000 0.545 312 L N -0.229 121.008 121.223 0.024 0.000 2.275 312 L HA -0.126 4.246 4.340 0.054 0.000 0.215 312 L C 1.958 178.818 176.870 -0.017 0.000 1.119 312 L CA 1.129 55.973 54.840 0.007 0.000 0.790 312 L CB -0.187 41.878 42.059 0.011 0.000 0.919 312 L HN 0.331 nan 8.230 nan 0.000 0.443 313 K N -0.154 120.225 120.400 -0.036 0.000 2.365 313 K HA 0.177 4.529 4.320 0.054 0.000 0.197 313 K C 0.918 177.462 176.600 -0.093 0.000 1.042 313 K CA 0.443 56.686 56.287 -0.074 0.000 0.987 313 K CB 0.194 32.627 32.500 -0.111 0.000 0.779 313 K HN 0.325 nan 8.250 nan 0.000 0.484 314 G N 1.645 110.407 108.800 -0.064 0.000 2.795 314 G HA2 -0.281 3.711 3.960 0.054 0.000 0.664 314 G HA3 -0.281 3.711 3.960 0.054 0.000 0.664 314 G C -0.418 174.429 174.900 -0.090 0.000 1.381 314 G CA -0.303 44.767 45.100 -0.049 0.000 0.853 314 G HN 0.309 nan 8.290 nan 0.000 0.545 315 R N -2.156 118.338 120.500 -0.010 0.000 3.895 315 R HA -0.313 4.060 4.340 0.054 0.000 0.431 315 R C 1.586 177.960 176.300 0.124 0.000 0.241 315 R CA 2.747 58.885 56.100 0.064 0.000 1.369 315 R CB -1.548 28.740 30.300 -0.021 0.000 1.017 315 R HN 1.737 nan 8.270 nan 0.000 0.556 316 W N 0.585 121.940 121.300 0.092 0.000 3.256 316 W HA 0.257 4.950 4.660 0.055 0.000 0.269 316 W C 1.490 178.076 176.519 0.111 0.000 1.310 316 W CA -0.170 57.244 57.345 0.115 0.000 1.673 316 W CB 0.022 29.561 29.460 0.130 0.000 1.115 316 W HN 0.259 nan 8.180 nan 0.000 0.686 317 M N 1.752 121.094 119.600 -0.429 0.000 2.144 317 M HA -0.120 4.392 4.480 0.054 0.000 0.260 317 M C 0.934 177.204 176.300 -0.049 0.000 1.067 317 M CA 1.318 56.425 55.300 -0.322 0.000 1.095 317 M CB -1.815 30.580 32.600 -0.341 0.000 1.365 317 M HN 0.195 nan 8.290 nan 0.000 0.406 318 R N 2.682 123.195 120.500 0.021 0.000 3.022 318 R HA -0.144 4.229 4.340 0.054 0.000 0.248 318 R C -0.473 175.863 176.300 0.060 0.000 0.874 318 R CA 0.753 56.904 56.100 0.085 0.000 0.626 318 R CB -1.858 28.534 30.300 0.153 0.000 1.255 318 R HN 0.628 nan 8.270 nan 0.000 0.496 319 D N 0.622 121.044 120.400 0.036 0.000 2.332 319 D HA 0.333 5.005 4.640 0.054 0.000 0.252 319 D C -0.213 176.120 176.300 0.056 0.000 1.050 319 D CA -0.842 53.174 54.000 0.028 0.000 0.970 319 D CB 0.794 41.595 40.800 0.002 0.000 1.141 319 D HN 0.244 nan 8.370 nan 0.000 0.485 320 R N -0.642 119.882 120.500 0.040 0.000 2.994 320 R HA -0.204 4.168 4.340 0.054 0.000 0.267 320 R C -0.726 175.642 176.300 0.112 0.000 0.914 320 R CA -0.178 55.961 56.100 0.065 0.000 0.668 320 R CB -1.654 28.710 30.300 0.108 0.000 1.524 320 R HN 0.448 nan 8.270 nan 0.000 0.478 321 L N 3.404 124.628 121.223 0.003 0.000 2.315 321 L HA 0.225 4.597 4.340 0.054 0.000 0.283 321 L C 0.564 177.399 176.870 -0.059 0.000 1.089 321 L CA 0.307 55.142 54.840 -0.009 0.000 0.833 321 L CB 0.395 42.347 42.059 -0.178 0.000 1.170 321 L HN 0.245 nan 8.230 nan 0.000 0.442 322 H N 4.171 123.202 119.070 -0.066 0.000 2.585 322 H HA 0.594 5.182 4.556 0.053 0.000 0.338 322 H C -1.147 174.001 175.328 -0.301 0.000 1.295 322 H CA -0.773 55.081 56.048 -0.323 0.000 1.356 322 H CB 2.166 31.477 29.762 -0.752 0.000 1.736 322 H HN 0.553 nan 8.280 nan 0.000 0.629 323 L N 0.961 121.952 121.223 -0.388 0.000 2.470 323 L HA 0.293 4.666 4.340 0.054 0.000 0.268 323 L C -1.841 174.966 176.870 -0.104 0.000 0.964 323 L CA -0.460 54.324 54.840 -0.095 0.000 0.839 323 L CB 1.410 43.442 42.059 -0.046 0.000 1.276 323 L HN 0.490 nan 8.230 nan 0.000 0.403 324 W N 5.646 127.097 121.300 0.252 0.000 2.719 324 W HA 0.622 5.314 4.660 0.054 0.000 0.352 324 W C -0.590 176.144 176.519 0.358 0.000 1.085 324 W CA -0.925 56.639 57.345 0.365 0.000 1.187 324 W CB 2.230 31.992 29.460 0.505 0.000 1.417 324 W HN 0.483 nan 8.180 nan 0.000 0.557 325 M N 2.420 122.404 119.600 0.639 0.000 2.263 325 M HA 0.415 4.927 4.480 0.054 0.000 0.295 325 M C -1.217 175.428 176.300 0.574 0.000 1.028 325 M CA 0.143 55.742 55.300 0.497 0.000 0.921 325 M CB 2.272 35.077 32.600 0.342 0.000 1.601 325 M HN 0.335 nan 8.290 nan 0.000 0.440 326 T N 1.321 116.143 114.554 0.446 0.000 2.903 326 T HA 0.453 4.835 4.350 0.054 0.000 0.299 326 T C -0.920 173.875 174.700 0.157 0.000 1.093 326 T CA -0.511 61.790 62.100 0.334 0.000 1.002 326 T CB 1.291 70.319 68.868 0.267 0.000 1.127 326 T HN 0.807 nan 8.240 nan 0.000 0.488 327 D N 2.507 122.924 120.400 0.028 0.000 2.593 327 D HA 0.174 4.846 4.640 0.054 0.000 0.241 327 D C 0.686 176.882 176.300 -0.175 0.000 1.257 327 D CA -0.363 53.630 54.000 -0.013 0.000 0.828 327 D CB -0.643 40.208 40.800 0.085 0.000 1.049 327 D HN 0.731 nan 8.370 nan 0.000 0.490 328 N N 0.178 118.679 118.700 -0.331 0.000 2.753 328 N HA -0.248 4.525 4.740 0.054 0.000 0.251 328 N C 0.176 175.570 175.510 -0.193 0.000 1.097 328 N CA 1.335 54.193 53.050 -0.321 0.000 0.786 328 N CB -0.280 37.930 38.487 -0.462 0.000 1.137 328 N HN 0.549 nan 8.380 nan 0.000 0.566 329 Q N -1.039 118.635 119.800 -0.210 0.000 2.303 329 Q HA 0.207 4.579 4.340 0.054 0.000 0.175 329 Q C -0.052 175.785 176.000 -0.272 0.000 0.643 329 Q CA -0.239 55.399 55.803 -0.274 0.000 0.871 329 Q CB 0.415 28.978 28.738 -0.292 0.000 1.206 329 Q HN 0.086 nan 8.270 nan 0.000 0.424 330 R N 0.902 121.198 120.500 -0.341 0.000 2.573 330 R HA 0.585 4.957 4.340 0.054 0.000 0.272 330 R C -0.550 175.752 176.300 0.003 0.000 1.009 330 R CA 0.003 55.962 56.100 -0.236 0.000 1.059 330 R CB 1.090 31.054 30.300 -0.559 0.000 1.112 330 R HN 0.122 nan 8.270 nan 0.000 0.517 331 I N 1.729 122.422 120.570 0.204 0.000 2.500 331 I HA 0.292 4.494 4.170 0.054 0.000 0.286 331 I C -1.278 175.143 176.117 0.506 0.000 1.063 331 I CA -0.539 60.965 61.300 0.340 0.000 1.062 331 I CB 1.428 39.525 38.000 0.162 0.000 1.223 331 I HN 0.421 nan 8.210 nan 0.000 0.435 332 F N 5.510 125.758 119.950 0.495 0.000 2.458 332 F HA 0.417 4.976 4.527 0.053 0.000 0.336 332 F C 0.038 176.050 175.800 0.354 0.000 1.114 332 F CA -0.447 57.803 58.000 0.416 0.000 0.987 332 F CB 1.257 40.494 39.000 0.394 0.000 1.130 332 F HN 0.374 nan 8.300 nan 0.000 0.458 333 D N 5.041 125.231 120.400 -0.350 0.000 2.336 333 D HA 0.150 4.822 4.640 0.054 0.000 0.249 333 D C 0.691 176.749 176.300 -0.405 0.000 1.213 333 D CA 0.036 53.803 54.000 -0.388 0.000 0.870 333 D CB 1.398 42.009 40.800 -0.315 0.000 1.076 333 D HN 0.386 nan 8.370 nan 0.000 0.483 334 V N 3.182 123.057 119.914 -0.066 0.000 3.380 334 V HA 0.286 4.438 4.120 0.054 0.000 0.268 334 V C 1.431 177.491 176.094 -0.056 0.000 1.168 334 V CA 0.855 63.231 62.300 0.127 0.000 1.156 334 V CB -1.247 30.655 31.823 0.132 0.000 0.785 334 V HN 0.875 nan 8.190 nan 0.000 0.487 335 G N 0.058 108.743 108.800 -0.192 0.000 2.483 335 G HA2 -0.137 3.855 3.960 0.054 0.000 0.521 335 G HA3 -0.137 3.855 3.960 0.054 0.000 0.521 335 G C -0.638 173.813 174.900 -0.749 0.000 1.278 335 G CA -0.189 44.740 45.100 -0.284 0.000 0.965 335 G HN 0.381 nan 8.290 nan 0.000 0.504 336 Q N -0.356 118.968 119.800 -0.793 0.000 2.235 336 Q HA 0.667 5.039 4.340 0.054 0.000 0.250 336 Q C 1.426 177.203 176.000 -0.372 0.000 0.909 336 Q CA -0.186 55.131 55.803 -0.811 0.000 0.910 336 Q CB 0.853 29.263 28.738 -0.546 0.000 1.223 336 Q HN 0.978 nan 8.270 nan 0.000 0.432 337 I N -0.530 119.868 120.570 -0.287 0.000 4.181 337 I HA 0.238 4.441 4.170 0.054 0.000 0.331 337 I C 0.359 176.426 176.117 -0.083 0.000 1.312 337 I CA -0.412 60.799 61.300 -0.148 0.000 1.146 337 I CB 0.589 38.525 38.000 -0.107 0.000 1.074 337 I HN 0.395 nan 8.210 nan 0.000 0.402 338 S N 1.805 117.427 115.700 -0.131 0.000 2.693 338 S HA 0.606 5.108 4.470 0.054 0.000 0.276 338 S C -0.102 174.486 174.600 -0.021 0.000 1.192 338 S CA -0.698 57.469 58.200 -0.054 0.000 0.994 338 S CB 1.574 64.710 63.200 -0.107 0.000 1.012 338 S HN 0.240 nan 8.310 nan 0.000 0.550 339 I N 2.119 122.701 120.570 0.019 0.000 2.315 339 I HA 0.488 4.691 4.170 0.054 0.000 0.291 339 I C 1.429 177.546 176.117 0.001 0.000 1.006 339 I CA -0.119 61.185 61.300 0.007 0.000 1.265 339 I CB 0.132 38.145 38.000 0.021 0.000 1.387 339 I HN 1.143 nan 8.210 nan 0.000 0.475 340 G N 6.273 115.067 108.800 -0.009 0.000 2.634 340 G HA2 -0.346 3.646 3.960 0.054 0.000 0.309 340 G HA3 -0.346 3.646 3.960 0.054 0.000 0.309 340 G C 0.388 175.286 174.900 -0.004 0.000 1.265 340 G CA 0.665 45.762 45.100 -0.006 0.000 0.998 340 G HN 0.879 nan 8.290 nan 0.000 0.551 341 D N 1.727 122.125 120.400 -0.003 0.000 2.463 341 D HA 0.169 4.841 4.640 0.054 0.000 0.224 341 D C 0.974 177.269 176.300 -0.007 0.000 1.174 341 D CA 0.673 54.671 54.000 -0.004 0.000 0.829 341 D CB -0.558 40.238 40.800 -0.007 0.000 0.993 341 D HN 0.956 nan 8.370 nan 0.000 0.497 342 E N 0.440 120.640 120.200 -0.001 0.000 2.447 342 E HA 0.018 4.400 4.350 0.054 0.000 0.259 342 E C -0.473 176.125 176.600 -0.003 0.000 1.196 342 E CA -0.328 56.072 56.400 -0.000 0.000 0.995 342 E CB 0.281 29.990 29.700 0.016 0.000 0.974 342 E HN -0.145 nan 8.360 nan 0.000 0.465 343 N N 0.740 119.433 118.700 -0.011 0.000 2.426 343 N HA 0.127 4.899 4.740 0.054 0.000 0.275 343 N C -0.518 175.006 175.510 0.023 0.000 1.019 343 N CA -0.234 52.810 53.050 -0.011 0.000 0.941 343 N CB 1.723 40.183 38.487 -0.046 0.000 1.123 343 N HN 0.616 nan 8.380 nan 0.000 0.486 344 S N 1.017 116.750 115.700 0.055 0.000 3.884 344 S HA 0.904 5.407 4.470 0.054 0.000 0.212 344 S C 0.680 175.383 174.600 0.173 0.000 1.037 344 S CA 0.213 58.477 58.200 0.108 0.000 1.611 344 S CB 0.771 63.984 63.200 0.023 0.000 0.898 344 S HN 0.619 nan 8.310 nan 0.000 0.672 345 G N -0.639 108.274 108.800 0.187 0.000 2.534 345 G HA2 0.266 4.259 3.960 0.054 0.000 0.142 345 G HA3 0.266 4.259 3.960 0.054 0.000 0.142 345 G C -1.521 173.547 174.900 0.280 0.000 1.178 345 G CA -0.665 44.604 45.100 0.282 0.000 1.037 345 G HN 0.552 nan 8.290 nan 0.000 0.474 346 Y N 1.703 122.048 120.300 0.075 0.000 2.607 346 Y HA 0.460 5.041 4.550 0.053 0.000 0.348 346 Y C 1.360 177.297 175.900 0.062 0.000 1.261 346 Y CA 0.272 58.389 58.100 0.029 0.000 1.480 346 Y CB 0.851 39.323 38.460 0.019 0.000 1.358 346 Y HN 0.921 nan 8.280 nan 0.000 0.630 347 S N -0.594 115.197 115.700 0.152 0.000 2.656 347 S HA 0.787 5.289 4.470 0.054 0.000 0.273 347 S C -0.941 173.729 174.600 0.117 0.000 1.168 347 S CA -0.859 57.433 58.200 0.154 0.000 0.817 347 S CB 2.135 65.392 63.200 0.095 0.000 1.146 347 S HN 0.604 nan 8.310 nan 0.000 0.475 348 S N -0.337 115.454 115.700 0.152 0.000 2.537 348 S HA 0.767 5.269 4.470 0.054 0.000 0.270 348 S C -1.499 173.208 174.600 0.178 0.000 1.142 348 S CA -0.242 58.047 58.200 0.148 0.000 0.870 348 S CB 1.250 64.544 63.200 0.156 0.000 1.112 348 S HN 1.923 nan 8.310 nan 0.000 0.466 349 V N 1.862 121.880 119.914 0.174 0.000 2.841 349 V HA 0.970 5.122 4.120 0.054 0.000 0.310 349 V C -1.327 174.904 176.094 0.228 0.000 1.090 349 V CA -0.897 61.522 62.300 0.198 0.000 0.930 349 V CB 1.429 33.345 31.823 0.154 0.000 1.014 349 V HN 0.898 nan 8.190 nan 0.000 0.425 350 L N 3.634 125.030 121.223 0.288 0.000 2.482 350 L HA 0.708 5.080 4.340 0.054 0.000 0.263 350 L C -1.935 175.177 176.870 0.404 0.000 0.957 350 L CA -0.540 54.495 54.840 0.325 0.000 0.836 350 L CB 2.149 44.408 42.059 0.334 0.000 1.324 350 L HN 0.861 nan 8.230 nan 0.000 0.406 351 Y N 4.713 125.127 120.300 0.190 0.000 2.356 351 Y HA 0.639 5.221 4.550 0.053 0.000 0.334 351 Y C -0.900 175.103 175.900 0.172 0.000 0.958 351 Y CA -0.682 57.507 58.100 0.149 0.000 1.196 351 Y CB 0.898 39.418 38.460 0.100 0.000 1.137 351 Y HN 0.751 nan 8.280 nan 0.000 0.485 352 K N 4.967 125.369 120.400 0.005 0.000 2.482 352 K HA 0.292 4.644 4.320 0.054 0.000 0.251 352 K C -1.016 175.522 176.600 -0.105 0.000 0.936 352 K CA -0.518 55.757 56.287 -0.020 0.000 0.791 352 K CB 0.987 33.596 32.500 0.182 0.000 1.213 352 K HN 0.666 nan 8.250 nan 0.000 0.428 353 D N 3.876 124.178 120.400 -0.163 0.000 2.755 353 D HA -0.208 4.464 4.640 0.054 0.000 0.227 353 D C -0.463 175.748 176.300 -0.148 0.000 1.211 353 D CA 1.726 55.653 54.000 -0.122 0.000 0.663 353 D CB -0.733 40.052 40.800 -0.025 0.000 0.983 353 D HN 0.928 nan 8.370 nan 0.000 0.407 354 D N -0.566 119.633 120.400 -0.334 0.000 2.751 354 D HA -0.221 4.452 4.640 0.054 0.000 0.233 354 D C -0.585 175.699 176.300 -0.027 0.000 1.149 354 D CA 1.211 55.101 54.000 -0.183 0.000 0.682 354 D CB -0.339 40.445 40.800 -0.027 0.000 1.068 354 D HN 0.534 nan 8.370 nan 0.000 0.429 355 K N -0.333 120.020 120.400 -0.078 0.000 2.498 355 K HA 0.515 4.867 4.320 0.054 0.000 0.254 355 K C -0.952 175.561 176.600 -0.145 0.000 0.933 355 K CA -1.101 55.121 56.287 -0.108 0.000 0.806 355 K CB 2.107 34.505 32.500 -0.169 0.000 1.301 355 K HN -0.011 nan 8.250 nan 0.000 0.432 356 L N 2.872 123.924 121.223 -0.285 0.000 2.317 356 L HA 0.509 4.881 4.340 0.054 0.000 0.281 356 L C -1.573 175.008 176.870 -0.482 0.000 1.024 356 L CA -0.138 54.600 54.840 -0.170 0.000 0.810 356 L CB 0.640 42.670 42.059 -0.048 0.000 1.240 356 L HN 0.515 nan 8.230 nan 0.000 0.427 357 Y N 1.905 122.289 120.300 0.141 0.000 2.581 357 Y HA 0.707 5.289 4.550 0.054 0.000 0.345 357 Y C -0.134 175.853 175.900 0.145 0.000 1.036 357 Y CA -0.790 57.370 58.100 0.100 0.000 1.042 357 Y CB 2.404 40.995 38.460 0.218 0.000 1.289 357 Y HN 0.532 nan 8.280 nan 0.000 0.471 358 S N 1.835 117.712 115.700 0.295 0.000 2.546 358 S HA 0.694 5.196 4.470 0.054 0.000 0.274 358 S C -2.198 172.592 174.600 0.316 0.000 1.121 358 S CA -0.634 57.734 58.200 0.280 0.000 0.887 358 S CB 1.114 64.451 63.200 0.230 0.000 1.094 358 S HN 0.669 nan 8.310 nan 0.000 0.474 359 L N 4.844 126.242 121.223 0.292 0.000 2.406 359 L HA 0.650 5.022 4.340 0.054 0.000 0.270 359 L C -1.152 175.835 176.870 0.194 0.000 0.982 359 L CA -0.385 54.590 54.840 0.224 0.000 0.843 359 L CB 1.223 43.412 42.059 0.216 0.000 1.225 359 L HN 1.106 nan 8.230 nan 0.000 0.412 360 H N 1.328 120.477 119.070 0.133 0.000 2.943 360 H HA 0.562 5.150 4.556 0.053 0.000 0.323 360 H C -1.400 173.995 175.328 0.112 0.000 1.296 360 H CA -0.992 55.123 56.048 0.112 0.000 1.155 360 H CB 1.064 30.884 29.762 0.097 0.000 1.882 360 H HN 0.365 nan 8.280 nan 0.000 0.553 361 E N 0.493 120.914 120.200 0.369 0.000 2.283 361 E HA 0.431 4.813 4.350 0.054 0.000 0.271 361 E C -0.368 176.416 176.600 0.307 0.000 1.031 361 E CA -0.818 55.757 56.400 0.292 0.000 0.868 361 E CB 1.882 31.775 29.700 0.323 0.000 1.094 361 E HN 0.559 nan 8.360 nan 0.000 0.401 362 I N -0.481 120.191 120.570 0.170 0.000 2.533 362 I HA 0.488 4.690 4.170 0.054 0.000 0.290 362 I C -1.117 174.956 176.117 -0.073 0.000 1.056 362 I CA -0.800 60.550 61.300 0.083 0.000 1.057 362 I CB 1.968 40.014 38.000 0.076 0.000 1.240 362 I HN 0.372 nan 8.210 nan 0.000 0.423 363 N N 3.724 122.328 118.700 -0.161 0.000 2.296 363 N HA 0.600 5.372 4.740 0.054 0.000 0.294 363 N C -1.472 173.919 175.510 -0.199 0.000 1.033 363 N CA -0.296 52.523 53.050 -0.385 0.000 0.839 363 N CB 2.083 40.230 38.487 -0.566 0.000 1.395 363 N HN 0.773 nan 8.380 nan 0.000 0.479 364 T N 2.907 117.355 114.554 -0.177 0.000 3.050 364 T HA 0.298 4.680 4.350 0.054 0.000 0.310 364 T C -0.153 174.519 174.700 -0.047 0.000 0.978 364 T CA -0.521 61.533 62.100 -0.078 0.000 1.013 364 T CB 0.756 69.595 68.868 -0.048 0.000 1.000 364 T HN 0.723 nan 8.240 nan 0.000 0.447 365 N N 2.439 121.138 118.700 -0.002 0.000 2.800 365 N HA -0.155 4.617 4.740 0.054 0.000 0.250 365 N C -0.573 174.970 175.510 0.055 0.000 1.078 365 N CA 1.510 54.583 53.050 0.038 0.000 0.804 365 N CB -0.725 37.777 38.487 0.025 0.000 1.135 365 N HN 0.917 nan 8.380 nan 0.000 0.565 366 D N -2.187 118.231 120.400 0.030 0.000 2.914 366 D HA -0.124 4.548 4.640 0.054 0.000 0.226 366 D C -0.680 175.727 176.300 0.179 0.000 1.112 366 D CA 0.890 54.942 54.000 0.086 0.000 0.778 366 D CB -1.505 39.342 40.800 0.077 0.000 1.095 366 D HN 0.265 nan 8.370 nan 0.000 0.436 367 V N 0.814 120.770 119.914 0.071 0.000 2.444 367 V HA 0.481 4.633 4.120 0.054 0.000 0.294 367 V C -0.167 175.991 176.094 0.107 0.000 1.022 367 V CA -0.840 61.584 62.300 0.207 0.000 0.850 367 V CB 1.338 33.183 31.823 0.036 0.000 0.992 367 V HN -0.016 nan 8.190 nan 0.000 0.426 368 Y N 1.693 122.033 120.300 0.066 0.000 2.387 368 Y HA 0.731 5.314 4.550 0.055 0.000 0.336 368 Y C 0.687 176.654 175.900 0.112 0.000 1.067 368 Y CA -0.566 57.573 58.100 0.066 0.000 1.114 368 Y CB 2.190 40.666 38.460 0.027 0.000 1.208 368 Y HN 0.601 nan 8.280 nan 0.000 0.458 369 S N 2.176 118.016 115.700 0.233 0.000 2.677 369 S HA 0.728 5.231 4.470 0.054 0.000 0.304 369 S C -1.228 173.471 174.600 0.165 0.000 1.108 369 S CA -0.862 57.467 58.200 0.215 0.000 0.944 369 S CB 1.194 64.470 63.200 0.127 0.000 1.127 369 S HN 0.463 nan 8.310 nan 0.000 0.511 370 L N 2.388 123.692 121.223 0.135 0.000 2.372 370 L HA 0.527 4.899 4.340 0.054 0.000 0.274 370 L C -0.636 176.264 176.870 0.051 0.000 0.988 370 L CA -0.916 53.970 54.840 0.077 0.000 0.833 370 L CB 1.592 43.659 42.059 0.014 0.000 1.236 370 L HN 0.473 nan 8.230 nan 0.000 0.410 371 V N -0.031 119.841 119.914 -0.069 0.000 2.509 371 V HA 0.482 4.634 4.120 0.054 0.000 0.284 371 V C -0.611 175.479 176.094 -0.007 0.000 1.047 371 V CA -0.544 61.702 62.300 -0.091 0.000 0.952 371 V CB 1.637 33.335 31.823 -0.208 0.000 0.988 371 V HN 0.503 nan 8.190 nan 0.000 0.469 372 F N 5.179 125.071 119.950 -0.096 0.000 2.404 372 F HA 0.781 5.340 4.527 0.054 0.000 0.354 372 F C -0.291 175.531 175.800 0.038 0.000 1.122 372 F CA -1.070 56.919 58.000 -0.019 0.000 1.080 372 F CB 1.309 40.294 39.000 -0.026 0.000 1.131 372 F HN 0.488 nan 8.300 nan 0.000 0.471 373 V N 6.518 126.286 119.914 -0.243 0.000 2.815 373 V HA 0.578 4.730 4.120 0.054 0.000 0.314 373 V C -0.499 175.435 176.094 -0.267 0.000 1.064 373 V CA -1.097 61.078 62.300 -0.208 0.000 0.952 373 V CB 2.260 34.072 31.823 -0.018 0.000 1.020 373 V HN 0.578 nan 8.190 nan 0.000 0.439 374 R N 3.116 123.511 120.500 -0.174 0.000 2.320 374 R HA 0.513 4.885 4.340 0.054 0.000 0.319 374 R C -0.951 175.277 176.300 -0.120 0.000 0.969 374 R CA -0.509 55.503 56.100 -0.146 0.000 0.857 374 R CB 1.197 31.438 30.300 -0.099 0.000 1.160 374 R HN 0.589 nan 8.270 nan 0.000 0.491 375 L N 5.229 126.367 121.223 -0.142 0.000 2.423 375 L HA 0.113 4.485 4.340 0.054 0.000 0.249 375 L C 1.293 178.101 176.870 -0.103 0.000 1.276 375 L CA -0.189 54.592 54.840 -0.098 0.000 1.199 375 L CB -0.032 41.982 42.059 -0.074 0.000 1.407 375 L HN 0.685 nan 8.230 nan 0.000 0.410 376 I N 0.989 121.507 120.570 -0.086 0.000 2.193 376 I HA -0.113 4.089 4.170 0.054 0.000 0.240 376 I C 2.376 178.462 176.117 -0.052 0.000 1.084 376 I CA 1.569 62.828 61.300 -0.069 0.000 1.365 376 I CB -0.938 37.031 38.000 -0.051 0.000 1.064 376 I HN 0.526 nan 8.210 nan 0.000 0.410 377 G N 0.112 108.885 108.800 -0.045 0.000 2.430 377 G HA2 -0.176 3.817 3.960 0.054 0.000 0.216 377 G HA3 -0.176 3.817 3.960 0.054 0.000 0.216 377 G C 1.555 176.431 174.900 -0.039 0.000 1.146 377 G CA 0.291 45.369 45.100 -0.037 0.000 0.793 377 G HN 0.300 nan 8.290 nan 0.000 0.537 378 E N -0.135 120.038 120.200 -0.044 0.000 2.051 378 E HA -0.067 4.316 4.350 0.054 0.000 0.192 378 E C 2.299 178.867 176.600 -0.054 0.000 0.991 378 E CA 0.487 56.863 56.400 -0.040 0.000 0.799 378 E CB -0.306 29.370 29.700 -0.041 0.000 0.748 378 E HN 0.302 nan 8.360 nan 0.000 0.449 379 L N 1.002 122.186 121.223 -0.065 0.000 2.083 379 L HA -0.224 4.148 4.340 0.054 0.000 0.209 379 L C 2.278 179.101 176.870 -0.080 0.000 1.083 379 L CA 1.830 56.623 54.840 -0.079 0.000 0.752 379 L CB -0.495 41.529 42.059 -0.058 0.000 0.899 379 L HN 0.178 nan 8.230 nan 0.000 0.433 380 Q N -1.064 118.698 119.800 -0.063 0.000 2.002 380 Q HA -0.276 4.097 4.340 0.054 0.000 0.204 380 Q C 2.271 178.220 176.000 -0.085 0.000 0.988 380 Q CA 2.372 58.138 55.803 -0.061 0.000 0.843 380 Q CB -0.374 28.337 28.738 -0.045 0.000 0.908 380 Q HN 0.486 nan 8.270 nan 0.000 0.420 381 L N 0.457 121.633 121.223 -0.078 0.000 2.012 381 L HA -0.219 4.153 4.340 0.054 0.000 0.210 381 L C 2.259 179.004 176.870 -0.210 0.000 1.073 381 L CA 1.956 56.736 54.840 -0.099 0.000 0.748 381 L CB -0.506 41.541 42.059 -0.021 0.000 0.891 381 L HN 0.376 nan 8.230 nan 0.000 0.431 382 M N -0.830 118.653 119.600 -0.195 0.000 2.082 382 M HA -0.274 4.238 4.480 0.054 0.000 0.258 382 M C 2.224 178.346 176.300 -0.297 0.000 1.069 382 M CA 1.995 57.130 55.300 -0.275 0.000 1.102 382 M CB -0.450 32.038 32.600 -0.186 0.000 1.336 382 M HN 0.152 nan 8.290 nan 0.000 0.404 383 K N -0.578 119.700 120.400 -0.202 0.000 2.103 383 K HA -0.157 4.195 4.320 0.054 0.000 0.207 383 K C 2.294 178.777 176.600 -0.194 0.000 1.048 383 K CA 1.691 57.878 56.287 -0.167 0.000 0.930 383 K CB -0.386 32.055 32.500 -0.098 0.000 0.716 383 K HN 0.283 nan 8.250 nan 0.000 0.444 384 S N 0.742 116.319 115.700 -0.205 0.000 2.348 384 S HA -0.111 4.391 4.470 0.054 0.000 0.221 384 S C 2.062 176.479 174.600 -0.306 0.000 1.033 384 S CA 1.143 59.222 58.200 -0.202 0.000 1.010 384 S CB -0.174 62.930 63.200 -0.160 0.000 0.891 384 S HN 0.075 nan 8.310 nan 0.000 0.442 385 V N 1.709 121.337 119.914 -0.477 0.000 2.392 385 V HA -0.131 4.021 4.120 0.054 0.000 0.249 385 V C 2.465 178.002 176.094 -0.928 0.000 1.059 385 V CA 1.775 63.623 62.300 -0.753 0.000 1.051 385 V CB -0.685 30.442 31.823 -1.160 0.000 0.658 385 V HN 0.439 nan 8.190 nan 0.000 0.455 386 V N -0.343 119.160 119.914 -0.685 0.000 2.358 386 V HA -0.217 3.935 4.120 0.054 0.000 0.246 386 V C 2.545 178.519 176.094 -0.200 0.000 1.047 386 V CA 1.846 63.868 62.300 -0.463 0.000 1.035 386 V CB -0.780 30.903 31.823 -0.233 0.000 0.658 386 V HN 0.447 nan 8.190 nan 0.000 0.452 387 R N -0.266 120.130 120.500 -0.173 0.000 2.127 387 R HA -0.162 4.210 4.340 0.054 0.000 0.238 387 R C 2.364 178.634 176.300 -0.051 0.000 1.134 387 R CA 1.903 57.956 56.100 -0.079 0.000 0.975 387 R CB -0.597 29.655 30.300 -0.080 0.000 0.865 387 R HN 0.522 nan 8.270 nan 0.000 0.447 388 T N -0.156 114.329 114.554 -0.114 0.000 2.732 388 T HA -0.131 4.251 4.350 0.054 0.000 0.261 388 T C 1.299 176.061 174.700 0.103 0.000 1.040 388 T CA 1.064 63.134 62.100 -0.050 0.000 1.145 388 T CB -0.172 68.639 68.868 -0.095 0.000 0.866 388 T HN 0.322 nan 8.240 nan 0.000 0.427 389 W N 2.082 123.393 121.300 0.018 0.000 2.318 389 W HA -0.015 4.677 4.660 0.053 0.000 0.313 389 W C 2.324 178.918 176.519 0.125 0.000 1.221 389 W CA 0.478 57.905 57.345 0.137 0.000 1.266 389 W CB -1.137 28.449 29.460 0.209 0.000 1.150 389 W HN 0.310 nan 8.180 nan 0.000 0.496 390 K N 0.078 120.665 120.400 0.312 0.000 2.009 390 K HA -0.208 4.145 4.320 0.054 0.000 0.210 390 K C 1.906 178.598 176.600 0.154 0.000 1.049 390 K CA 2.022 58.431 56.287 0.202 0.000 0.929 390 K CB -0.412 32.167 32.500 0.132 0.000 0.714 390 K HN 0.152 nan 8.250 nan 0.000 0.440 391 E N 0.294 120.559 120.200 0.109 0.000 2.051 391 E HA -0.230 4.152 4.350 0.054 0.000 0.192 391 E C 2.064 178.728 176.600 0.106 0.000 0.991 391 E CA 1.275 57.724 56.400 0.080 0.000 0.799 391 E CB 0.024 29.741 29.700 0.029 0.000 0.748 391 E HN 0.199 nan 8.360 nan 0.000 0.449 392 E N 1.073 121.322 120.200 0.083 0.000 2.072 392 E HA -0.187 4.195 4.350 0.054 0.000 0.191 392 E C 1.482 178.217 176.600 0.223 0.000 0.985 392 E CA 1.430 57.890 56.400 0.101 0.000 0.801 392 E CB -0.103 29.532 29.700 -0.109 0.000 0.750 392 E HN 0.115 nan 8.360 nan 0.000 0.452 393 D N -0.524 120.023 120.400 0.246 0.000 2.092 393 D HA -0.207 4.465 4.640 0.054 0.000 0.193 393 D C 1.941 178.343 176.300 0.170 0.000 0.994 393 D CA 1.947 56.092 54.000 0.242 0.000 0.828 393 D CB -0.972 39.969 40.800 0.234 0.000 0.963 393 D HN 0.417 nan 8.370 nan 0.000 0.450 394 N N -0.269 118.523 118.700 0.154 0.000 2.120 394 N HA -0.244 4.528 4.740 0.054 0.000 0.188 394 N C 1.801 177.382 175.510 0.118 0.000 1.024 394 N CA 2.023 55.143 53.050 0.116 0.000 0.852 394 N CB -1.156 37.394 38.487 0.105 0.000 1.003 394 N HN 0.461 nan 8.380 nan 0.000 0.424 395 H N 0.301 119.413 119.070 0.069 0.000 2.289 395 H HA 0.037 4.625 4.556 0.054 0.000 0.296 395 H C 2.058 177.427 175.328 0.068 0.000 1.091 395 H CA 1.928 58.013 56.048 0.062 0.000 1.274 395 H CB -0.358 29.442 29.762 0.065 0.000 1.364 395 H HN 0.409 nan 8.280 nan 0.000 0.490 396 L N -0.272 120.950 121.223 -0.001 0.000 2.131 396 L HA -0.097 4.275 4.340 0.054 0.000 0.210 396 L C 2.434 179.269 176.870 -0.058 0.000 1.092 396 L CA 0.932 55.740 54.840 -0.054 0.000 0.759 396 L CB -0.486 41.629 42.059 0.093 0.000 0.903 396 L HN 0.479 nan 8.230 nan 0.000 0.435 397 A N -1.878 120.935 122.820 -0.011 0.000 2.278 397 A HA 0.058 4.410 4.320 0.054 0.000 0.212 397 A C 2.043 179.611 177.584 -0.027 0.000 1.213 397 A CA 0.610 52.642 52.037 -0.007 0.000 0.840 397 A CB -0.085 18.930 19.000 0.024 0.000 0.866 397 A HN 0.293 nan 8.150 nan 0.000 0.489 398 S N -0.538 115.125 115.700 -0.063 0.000 2.526 398 S HA 0.300 4.802 4.470 0.054 0.000 0.220 398 S C 0.498 175.054 174.600 -0.074 0.000 1.017 398 S CA -0.388 57.779 58.200 -0.054 0.000 0.930 398 S CB -0.044 63.134 63.200 -0.036 0.000 0.856 398 S HN 0.513 nan 8.310 nan 0.000 0.497 399 I N 1.809 122.312 120.570 -0.112 0.000 2.618 399 I HA 0.021 4.223 4.170 0.054 0.000 0.284 399 I C 0.393 176.473 176.117 -0.060 0.000 1.146 399 I CA -0.253 60.989 61.300 -0.096 0.000 1.425 399 I CB 0.320 38.250 38.000 -0.116 0.000 1.383 399 I HN 0.168 nan 8.210 nan 0.000 0.562 400 c N 7.222 125.793 118.600 -0.048 0.000 2.442 400 c HA 0.341 4.943 4.570 0.054 0.000 0.362 400 c C 0.999 175.063 174.090 -0.044 0.000 1.242 400 c CA -0.397 55.909 56.329 -0.039 0.000 1.741 400 c CB -1.004 41.488 42.510 -0.031 0.000 2.378 400 c HN 0.872 nan 8.230 nan 0.000 0.549 401 T N 4.998 119.524 114.554 -0.047 0.000 2.934 401 T HA 0.579 4.961 4.350 0.054 0.000 0.283 401 T C -2.647 172.021 174.700 -0.054 0.000 1.005 401 T CA -1.603 60.464 62.100 -0.056 0.000 1.041 401 T CB 1.155 69.987 68.868 -0.060 0.000 1.042 401 T HN 0.484 nan 8.240 nan 0.000 0.505 402 P HA 0.176 nan 4.420 nan 0.000 0.267 402 P C -0.637 176.634 177.300 -0.048 0.000 1.201 402 P CA -0.420 62.644 63.100 -0.060 0.000 0.775 402 P CB 0.243 31.893 31.700 -0.083 0.000 0.854 403 V N 3.029 122.920 119.914 -0.037 0.000 2.509 403 V HA 0.180 4.332 4.120 0.054 0.000 0.284 403 V C 0.386 176.465 176.094 -0.025 0.000 1.047 403 V CA -0.467 61.816 62.300 -0.029 0.000 0.952 403 V CB 1.388 33.197 31.823 -0.022 0.000 0.988 403 V HN 0.212 nan 8.190 nan 0.000 0.469 404 V N 5.373 125.275 119.914 -0.020 0.000 2.481 404 V HA 0.332 4.484 4.120 0.054 0.000 0.286 404 V C -2.057 174.033 176.094 -0.007 0.000 1.042 404 V CA -1.838 60.455 62.300 -0.012 0.000 0.928 404 V CB 1.029 32.847 31.823 -0.008 0.000 0.986 404 V HN 0.823 nan 8.190 nan 0.000 0.462 405 P HA 0.271 nan 4.420 nan 0.000 0.258 405 P C -0.185 177.115 177.300 -0.000 0.000 1.187 405 P CA 0.474 63.574 63.100 -0.000 0.000 0.767 405 P CB 0.341 32.044 31.700 0.004 0.000 0.770 414 c N 0.672 119.261 118.600 -0.019 0.000 2.973 414 c HA 0.903 5.505 4.570 0.054 0.000 0.329 414 c C 1.093 175.168 174.090 -0.025 0.000 1.327 414 c CA -0.008 56.306 56.329 -0.024 0.000 1.632 414 c CB 1.191 43.685 42.510 -0.025 0.000 2.098 414 c HN 0.694 nan 8.230 nan 0.000 0.469 415 G N -0.039 108.743 108.800 -0.031 0.000 2.532 415 G HA2 0.583 4.575 3.960 0.054 0.000 0.291 415 G HA3 0.583 4.575 3.960 0.054 0.000 0.291 415 G C -0.138 174.742 174.900 -0.033 0.000 1.349 415 G CA 0.043 45.124 45.100 -0.032 0.000 1.038 415 G HN 1.242 nan 8.290 nan 0.000 0.518 416 A N -0.881 121.918 122.820 -0.034 0.000 2.555 416 A HA 0.510 4.862 4.320 0.054 0.000 0.233 416 A C 1.019 178.580 177.584 -0.037 0.000 1.060 416 A CA 0.613 52.629 52.037 -0.035 0.000 0.759 416 A CB -0.367 18.609 19.000 -0.039 0.000 0.995 416 A HN 1.784 nan 8.150 nan 0.000 0.506 417 A N 1.718 124.517 122.820 -0.034 0.000 2.366 417 A HA 0.497 4.849 4.320 0.054 0.000 0.249 417 A C 0.315 177.879 177.584 -0.032 0.000 1.084 417 A CA -0.359 51.659 52.037 -0.032 0.000 0.794 417 A CB 0.035 19.021 19.000 -0.024 0.000 1.034 417 A HN 1.216 nan 8.150 nan 0.000 0.491 418 V N 3.140 123.038 119.914 -0.028 0.000 2.479 418 V HA 0.146 4.298 4.120 0.054 0.000 0.281 418 V C -1.984 174.110 176.094 0.001 0.000 1.031 418 V CA -0.712 61.578 62.300 -0.017 0.000 1.038 418 V CB 0.301 32.116 31.823 -0.014 0.000 0.981 418 V HN 0.732 nan 8.190 nan 0.000 0.478 419 P HA 0.149 nan 4.420 nan 0.000 0.267 419 P C 0.662 178.031 177.300 0.115 0.000 1.205 419 P CA 0.149 63.255 63.100 0.011 0.000 0.765 419 P CB 0.552 32.195 31.700 -0.095 0.000 0.828 420 T N -1.153 113.454 114.554 0.088 0.000 2.986 420 T HA 0.339 4.722 4.350 0.054 0.000 0.264 420 T C 0.721 175.451 174.700 0.050 0.000 0.964 420 T CA -0.158 61.990 62.100 0.080 0.000 0.895 420 T CB 0.043 68.949 68.868 0.063 0.000 1.163 420 T HN 0.347 nan 8.240 nan 0.000 0.517 421 A N 1.042 123.892 122.820 0.051 0.000 2.395 421 A HA 0.624 4.976 4.320 0.054 0.000 0.286 421 A C 1.575 179.181 177.584 0.038 0.000 1.193 421 A CA 0.236 52.285 52.037 0.020 0.000 0.852 421 A CB -1.146 17.856 19.000 0.003 0.000 1.118 421 A HN 1.472 nan 8.150 nan 0.000 0.524 422 G N 1.644 110.429 108.800 -0.024 0.000 2.179 422 G HA2 -0.178 3.814 3.960 0.054 0.000 0.220 422 G HA3 -0.178 3.814 3.960 0.054 0.000 0.220 422 G C 0.161 174.977 174.900 -0.140 0.000 0.990 422 G CA 0.042 45.107 45.100 -0.059 0.000 0.646 422 G HN 0.923 nan 8.290 nan 0.000 0.517 423 L N 1.744 122.826 121.223 -0.236 0.000 2.456 423 L HA 0.412 4.784 4.340 0.054 0.000 0.277 423 L C 1.686 178.172 176.870 -0.640 0.000 1.124 423 L CA -0.228 54.242 54.840 -0.616 0.000 0.880 423 L CB 1.022 42.756 42.059 -0.542 0.000 1.192 423 L HN 0.020 nan 8.230 nan 0.000 0.463 424 V N 4.038 123.592 119.914 -0.599 0.000 2.672 424 V HA 0.292 4.444 4.120 0.054 0.000 0.242 424 V C 0.980 176.877 176.094 -0.329 0.000 1.059 424 V CA 0.915 62.940 62.300 -0.460 0.000 1.081 424 V CB 0.469 32.064 31.823 -0.380 0.000 0.752 424 V HN 0.823 nan 8.190 nan 0.000 0.472 425 G N -1.446 107.207 108.800 -0.244 0.000 2.660 425 G HA2 0.627 4.619 3.960 0.054 0.000 0.294 425 G HA3 0.627 4.619 3.960 0.054 0.000 0.294 425 G C -1.916 173.210 174.900 0.377 0.000 1.369 425 G CA -0.387 44.814 45.100 0.168 0.000 0.912 425 G HN 0.009 nan 8.290 nan 0.000 0.479 426 F N 1.360 121.521 119.950 0.350 0.000 2.607 426 F HA 0.521 5.080 4.527 0.054 0.000 0.322 426 F C -1.256 174.546 175.800 0.003 0.000 1.176 426 F CA -1.093 57.025 58.000 0.196 0.000 0.977 426 F CB 1.525 40.703 39.000 0.296 0.000 1.242 426 F HN 0.235 nan 8.300 nan 0.000 0.465 427 L N 5.830 126.972 121.223 -0.135 0.000 2.305 427 L HA 0.522 4.894 4.340 0.054 0.000 0.284 427 L C -0.083 176.471 176.870 -0.525 0.000 1.013 427 L CA -0.167 54.242 54.840 -0.717 0.000 0.819 427 L CB 1.693 42.794 42.059 -1.597 0.000 1.227 427 L HN 0.606 nan 8.230 nan 0.000 0.417 428 S N -0.040 115.475 115.700 -0.308 0.000 4.344 428 S HA 0.156 4.659 4.470 0.054 0.000 0.236 428 S C 0.980 175.720 174.600 0.233 0.000 1.105 428 S CA -0.051 58.091 58.200 -0.096 0.000 1.634 428 S CB 0.271 63.200 63.200 -0.452 0.000 1.220 428 S HN 0.814 nan 8.310 nan 0.000 0.740 429 H N 1.382 120.465 119.070 0.022 0.000 2.321 429 H HA 0.289 4.877 4.556 0.054 0.000 0.300 429 H C 0.877 176.223 175.328 0.030 0.000 1.087 429 H CA 1.933 57.994 56.048 0.023 0.000 1.319 429 H CB -0.465 29.287 29.762 -0.017 0.000 1.379 429 H HN 0.263 nan 8.280 nan 0.000 0.501 430 S N -0.026 115.739 115.700 0.108 0.000 2.525 430 S HA 0.458 4.960 4.470 0.054 0.000 0.285 430 S C -0.851 173.788 174.600 0.065 0.000 1.283 430 S CA 0.161 58.396 58.200 0.059 0.000 1.072 430 S CB -0.280 62.970 63.200 0.084 0.000 0.867 430 S HN 0.648 nan 8.310 nan 0.000 0.492 431 A N 4.374 127.170 122.820 -0.040 0.000 2.547 431 A HA 0.588 4.940 4.320 0.054 0.000 0.298 431 A C -1.171 176.364 177.584 -0.081 0.000 1.062 431 A CA -1.110 50.893 52.037 -0.057 0.000 0.748 431 A CB 1.067 19.898 19.000 -0.281 0.000 1.288 431 A HN 0.896 nan 8.150 nan 0.000 0.396 432 N N 0.862 119.543 118.700 -0.033 0.000 2.331 432 N HA 0.747 5.519 4.740 0.054 0.000 0.280 432 N C 0.581 176.081 175.510 -0.016 0.000 1.155 432 N CA 0.494 53.524 53.050 -0.032 0.000 0.822 432 N CB 1.466 39.946 38.487 -0.012 0.000 1.619 432 N HN 2.150 nan 8.380 nan 0.000 0.476 433 G N 1.226 110.012 108.800 -0.024 0.000 2.629 433 G HA2 -0.338 3.654 3.960 0.054 0.000 0.313 433 G HA3 -0.338 3.654 3.960 0.054 0.000 0.313 433 G C 0.454 175.350 174.900 -0.006 0.000 1.217 433 G CA 1.010 46.103 45.100 -0.011 0.000 0.994 433 G HN 1.767 nan 8.290 nan 0.000 0.549 434 S N -0.458 115.250 115.700 0.014 0.000 2.583 434 S HA 0.602 5.104 4.470 0.054 0.000 0.239 434 S C -0.041 174.593 174.600 0.056 0.000 0.966 434 S CA 0.436 58.654 58.200 0.029 0.000 0.973 434 S CB 0.763 63.980 63.200 0.029 0.000 0.794 434 S HN 1.161 nan 8.310 nan 0.000 0.463 435 V N 2.016 121.965 119.914 0.058 0.000 2.588 435 V HA 0.454 4.606 4.120 0.054 0.000 0.304 435 V C -1.180 175.006 176.094 0.153 0.000 1.042 435 V CA -0.769 61.593 62.300 0.103 0.000 0.877 435 V CB 1.580 33.455 31.823 0.088 0.000 0.996 435 V HN 0.604 nan 8.190 nan 0.000 0.425 436 W N 4.368 125.651 121.300 -0.028 0.000 2.314 436 W HA 0.504 5.196 4.660 0.054 0.000 0.310 436 W C 0.166 176.647 176.519 -0.063 0.000 1.075 436 W CA -1.259 56.045 57.345 -0.068 0.000 1.253 436 W CB 0.874 30.271 29.460 -0.105 0.000 1.238 436 W HN 0.640 nan 8.180 nan 0.000 0.440 437 E N 2.967 123.354 120.200 0.311 0.000 2.338 437 E HA -0.042 4.340 4.350 0.054 0.000 0.272 437 E C -0.534 176.092 176.600 0.043 0.000 1.029 437 E CA -0.145 56.341 56.400 0.144 0.000 0.872 437 E CB 0.992 30.770 29.700 0.130 0.000 1.015 437 E HN 0.180 nan 8.360 nan 0.000 0.417 438 D N 3.058 123.522 120.400 0.107 0.000 2.336 438 D HA -0.003 4.669 4.640 0.054 0.000 0.249 438 D C 0.804 177.227 176.300 0.205 0.000 1.213 438 D CA -0.174 53.937 54.000 0.185 0.000 0.870 438 D CB 1.135 42.141 40.800 0.344 0.000 1.076 438 D HN 0.128 nan 8.370 nan 0.000 0.483 439 V N 4.349 124.350 119.914 0.145 0.000 2.439 439 V HA -0.288 3.864 4.120 0.054 0.000 0.253 439 V C 1.258 177.414 176.094 0.102 0.000 1.074 439 V CA 1.615 63.956 62.300 0.069 0.000 1.076 439 V CB -0.833 30.972 31.823 -0.029 0.000 0.664 439 V HN 0.643 nan 8.190 nan 0.000 0.461 440 Y N -0.544 119.936 120.300 0.301 0.000 2.461 440 Y HA 0.290 4.873 4.550 0.054 0.000 0.277 440 Y C 1.365 177.580 175.900 0.525 0.000 1.182 440 Y CA -0.285 58.065 58.100 0.417 0.000 1.276 440 Y CB -0.269 38.364 38.460 0.289 0.000 1.087 440 Y HN 0.190 nan 8.280 nan 0.000 0.519 441 R N -2.466 118.319 120.500 0.475 0.000 3.651 441 R HA -0.261 4.111 4.340 0.054 0.000 0.292 441 R C 0.351 176.985 176.300 0.556 0.000 1.161 441 R CA 0.667 57.034 56.100 0.444 0.000 0.787 441 R CB -2.355 28.167 30.300 0.369 0.000 1.249 441 R HN 0.448 nan 8.270 nan 0.000 0.476 442 C N -1.878 117.717 119.300 0.492 0.000 2.403 442 C HA 0.239 4.731 4.460 0.054 0.000 0.380 442 C C 0.706 175.829 174.990 0.220 0.000 1.490 442 C CA 0.251 59.504 59.018 0.391 0.000 2.457 442 C CB 0.870 28.871 27.740 0.435 0.000 2.341 442 C HN 0.248 nan 8.230 nan 0.000 0.626 443 V N 2.923 123.002 119.914 0.275 0.000 2.357 443 V HA 0.343 4.495 4.120 0.054 0.000 0.281 443 V C -1.224 175.124 176.094 0.423 0.000 1.015 443 V CA -0.346 62.090 62.300 0.226 0.000 0.827 443 V CB 0.911 32.717 31.823 -0.028 0.000 1.018 443 V HN 0.371 nan 8.190 nan 0.000 0.432 444 D N 2.998 123.561 120.400 0.271 0.000 2.377 444 D HA 0.631 5.303 4.640 0.054 0.000 0.245 444 D C 0.263 176.693 176.300 0.217 0.000 1.196 444 D CA 0.109 54.236 54.000 0.213 0.000 0.962 444 D CB 1.844 42.735 40.800 0.151 0.000 1.127 444 D HN 0.679 nan 8.370 nan 0.000 0.471 445 A N 1.161 124.029 122.820 0.081 0.000 2.342 445 A HA 0.384 4.736 4.320 0.054 0.000 0.323 445 A C -0.198 177.479 177.584 0.156 0.000 1.125 445 A CA -0.848 51.241 52.037 0.087 0.000 0.785 445 A CB 0.731 19.613 19.000 -0.197 0.000 1.221 445 A HN 0.415 nan 8.150 nan 0.000 0.463 446 N N 0.816 119.605 118.700 0.149 0.000 2.530 446 N HA 0.422 5.194 4.740 0.054 0.000 0.273 446 N C -0.448 175.143 175.510 0.136 0.000 1.173 446 N CA 0.098 53.221 53.050 0.121 0.000 0.967 446 N CB 1.614 40.150 38.487 0.081 0.000 1.109 446 N HN 0.355 nan 8.380 nan 0.000 0.453 447 V N 0.039 120.023 119.914 0.116 0.000 3.046 447 V HA 0.914 5.066 4.120 0.054 0.000 0.316 447 V C -0.270 175.871 176.094 0.078 0.000 1.104 447 V CA -0.862 61.511 62.300 0.122 0.000 1.006 447 V CB 1.860 33.750 31.823 0.111 0.000 1.058 447 V HN 0.851 nan 8.190 nan 0.000 0.440 448 A N 1.299 124.174 122.820 0.091 0.000 2.577 448 A HA 0.681 5.033 4.320 0.054 0.000 0.297 448 A C -0.288 177.359 177.584 0.104 0.000 1.060 448 A CA -0.556 51.519 52.037 0.064 0.000 0.697 448 A CB 1.148 20.166 19.000 0.029 0.000 1.281 448 A HN 0.911 nan 8.150 nan 0.000 0.402 449 N N -0.905 117.841 118.700 0.077 0.000 2.688 449 N HA -0.155 4.617 4.740 0.054 0.000 0.258 449 N C -0.091 175.508 175.510 0.149 0.000 1.016 449 N CA 1.408 54.513 53.050 0.091 0.000 0.747 449 N CB -0.803 37.736 38.487 0.086 0.000 0.895 449 N HN 1.578 nan 8.380 nan 0.000 0.543 450 A N 0.087 122.952 122.820 0.076 0.000 2.435 450 A HA 0.784 5.136 4.320 0.054 0.000 0.296 450 A C -0.281 177.230 177.584 -0.123 0.000 1.147 450 A CA -0.606 51.414 52.037 -0.028 0.000 0.775 450 A CB 2.067 21.017 19.000 -0.084 0.000 1.340 450 A HN 0.250 nan 8.150 nan 0.000 0.427 451 E N 0.915 120.983 120.200 -0.219 0.000 2.274 451 E HA 0.353 4.735 4.350 0.054 0.000 0.269 451 E C -0.921 175.521 176.600 -0.263 0.000 0.891 451 E CA -0.618 55.668 56.400 -0.190 0.000 0.784 451 E CB 1.181 30.802 29.700 -0.132 0.000 1.225 451 E HN 0.656 nan 8.360 nan 0.000 0.412 452 R N 1.475 121.828 120.500 -0.246 0.000 2.623 452 R HA 0.245 4.617 4.340 0.054 0.000 0.271 452 R C 0.163 176.327 176.300 -0.227 0.000 1.043 452 R CA 0.154 56.081 56.100 -0.289 0.000 1.083 452 R CB 0.762 30.899 30.300 -0.273 0.000 0.974 452 R HN 0.411 nan 8.270 nan 0.000 0.436 453 V N -0.098 119.673 119.914 -0.239 0.000 3.159 453 V HA 0.487 4.639 4.120 0.054 0.000 0.308 453 V C -2.706 173.342 176.094 -0.077 0.000 1.190 453 V CA -3.072 59.148 62.300 -0.133 0.000 1.037 453 V CB 2.123 33.874 31.823 -0.120 0.000 1.060 453 V HN 0.533 nan 8.190 nan 0.000 0.437 454 P HA 0.234 nan 4.420 nan 0.000 0.258 454 P C -0.043 177.359 177.300 0.170 0.000 1.187 454 P CA 0.885 64.098 63.100 0.188 0.000 0.767 454 P CB -0.203 31.563 31.700 0.110 0.000 0.770 455 N N 1.156 120.027 118.700 0.285 0.000 2.878 455 N HA -0.146 4.626 4.740 0.054 0.000 0.247 455 N C 0.565 176.178 175.510 0.171 0.000 1.021 455 N CA 1.714 54.885 53.050 0.201 0.000 0.873 455 N CB -1.514 37.075 38.487 0.170 0.000 1.128 455 N HN 0.661 nan 8.380 nan 0.000 0.571 456 G N -1.008 107.813 108.800 0.035 0.000 2.411 456 G HA2 0.606 4.598 3.960 0.054 0.000 0.269 456 G HA3 0.606 4.598 3.960 0.054 0.000 0.269 456 G C -1.822 172.815 174.900 -0.438 0.000 1.220 456 G CA -0.612 44.461 45.100 -0.044 0.000 0.908 456 G HN 0.091 nan 8.290 nan 0.000 0.483 457 L N -0.087 120.771 121.223 -0.608 0.000 2.393 457 L HA 0.681 5.053 4.340 0.054 0.000 0.260 457 L C -0.463 175.927 176.870 -0.800 0.000 1.002 457 L CA -0.903 53.460 54.840 -0.795 0.000 0.818 457 L CB 2.729 44.097 42.059 -1.151 0.000 1.369 457 L HN 0.647 nan 8.230 nan 0.000 0.412 458 K N 1.353 121.339 120.400 -0.690 0.000 2.244 458 K HA 0.625 4.977 4.320 0.054 0.000 0.260 458 K C -1.618 174.649 176.600 -0.554 0.000 0.951 458 K CA -0.353 55.623 56.287 -0.518 0.000 0.826 458 K CB 1.109 33.467 32.500 -0.237 0.000 1.108 458 K HN 0.338 nan 8.250 nan 0.000 0.433 459 F N 2.519 122.452 119.950 -0.029 0.000 2.422 459 F HA 0.417 4.976 4.527 0.054 0.000 0.333 459 F C 0.497 176.301 175.800 0.008 0.000 1.095 459 F CA -0.824 57.169 58.000 -0.012 0.000 1.038 459 F CB 1.577 40.586 39.000 0.015 0.000 1.156 459 F HN 0.491 nan 8.300 nan 0.000 0.483 460 N N 1.720 120.544 118.700 0.207 0.000 2.648 460 N HA 0.480 5.252 4.740 0.054 0.000 0.272 460 N C -0.843 174.724 175.510 0.095 0.000 1.118 460 N CA 0.121 53.243 53.050 0.121 0.000 0.973 460 N CB 1.788 40.317 38.487 0.070 0.000 1.565 460 N HN 0.960 nan 8.380 nan 0.000 0.542 461 G N 0.554 109.402 108.800 0.080 0.000 2.392 461 G HA2 -0.078 3.914 3.960 0.054 0.000 0.677 461 G HA3 -0.078 3.914 3.960 0.054 0.000 0.677 461 G C -1.132 173.793 174.900 0.042 0.000 1.334 461 G CA -0.658 44.474 45.100 0.054 0.000 0.961 461 G HN 0.402 nan 8.290 nan 0.000 0.616 462 V N 1.728 121.658 119.914 0.026 0.000 2.475 462 V HA 0.353 4.505 4.120 0.054 0.000 0.292 462 V C 1.917 178.015 176.094 0.005 0.000 1.003 462 V CA 2.407 64.715 62.300 0.013 0.000 1.120 462 V CB 0.248 32.075 31.823 0.008 0.000 0.937 462 V HN 2.784 nan 8.190 nan 0.000 0.476 463 G N 3.972 112.767 108.800 -0.008 0.000 2.176 463 G HA2 -0.161 3.832 3.960 0.054 0.000 0.253 463 G HA3 -0.161 3.832 3.960 0.054 0.000 0.253 463 G C 0.606 175.474 174.900 -0.052 0.000 0.979 463 G CA -0.137 44.946 45.100 -0.028 0.000 0.641 463 G HN 1.460 nan 8.290 nan 0.000 0.530 464 G N 0.198 108.980 108.800 -0.030 0.000 2.150 464 G HA2 0.622 4.614 3.960 0.054 0.000 0.250 464 G HA3 0.622 4.614 3.960 0.054 0.000 0.250 464 G C 0.755 175.402 174.900 -0.422 0.000 1.179 464 G CA 1.460 46.530 45.100 -0.051 0.000 0.934 464 G HN 1.813 nan 8.290 nan 0.000 0.453 465 G N -0.010 108.349 108.800 -0.735 0.000 2.341 465 G HA2 0.675 4.667 3.960 0.054 0.000 0.293 465 G HA3 0.675 4.667 3.960 0.054 0.000 0.293 465 G C -1.104 173.562 174.900 -0.390 0.000 1.298 465 G CA -0.001 44.451 45.100 -1.081 0.000 0.868 465 G HN 1.811 nan 8.290 nan 0.000 0.540 466 A N -1.133 121.621 122.820 -0.110 0.000 2.475 466 A HA 0.835 5.187 4.320 0.054 0.000 0.301 466 A C -1.056 176.651 177.584 0.206 0.000 1.059 466 A CA -0.588 51.553 52.037 0.173 0.000 0.710 466 A CB 2.173 21.440 19.000 0.446 0.000 1.288 466 A HN 1.684 nan 8.150 nan 0.000 0.408 467 V N 2.095 122.132 119.914 0.205 0.000 2.350 467 V HA 0.291 4.443 4.120 0.054 0.000 0.285 467 V C -1.163 175.140 176.094 0.348 0.000 1.014 467 V CA -0.404 62.051 62.300 0.260 0.000 0.831 467 V CB 1.188 33.064 31.823 0.088 0.000 1.000 467 V HN 0.837 nan 8.190 nan 0.000 0.433 468 W N 8.629 130.082 121.300 0.255 0.000 2.317 468 W HA 0.463 5.156 4.660 0.054 0.000 0.327 468 W C -2.533 174.124 176.519 0.230 0.000 1.036 468 W CA -3.209 54.286 57.345 0.251 0.000 1.419 468 W CB 1.025 30.669 29.460 0.306 0.000 1.253 468 W HN 0.378 nan 8.180 nan 0.000 0.392 469 P HA -0.013 nan 4.420 nan 0.000 0.267 469 P C 0.390 177.695 177.300 0.007 0.000 1.205 469 P CA 0.391 63.578 63.100 0.145 0.000 0.765 469 P CB 1.430 33.175 31.700 0.075 0.000 0.828 470 V N 3.847 123.721 119.914 -0.067 0.000 3.945 470 V HA 0.128 4.281 4.120 0.054 0.000 0.196 470 V C 2.178 178.176 176.094 -0.160 0.000 1.110 470 V CA 1.146 63.336 62.300 -0.183 0.000 1.411 470 V CB -1.300 30.306 31.823 -0.360 0.000 1.707 470 V HN 0.442 nan 8.190 nan 0.000 0.477 471 A N 0.077 122.815 122.820 -0.138 0.000 1.933 471 A HA -0.198 4.154 4.320 0.054 0.000 0.218 471 A C 2.101 179.637 177.584 -0.080 0.000 1.175 471 A CA 1.766 53.740 52.037 -0.106 0.000 0.628 471 A CB -0.653 18.299 19.000 -0.081 0.000 0.814 471 A HN 0.523 nan 8.150 nan 0.000 0.444 472 R N -0.353 120.115 120.500 -0.054 0.000 2.355 472 R HA -0.130 4.242 4.340 0.054 0.000 0.219 472 R C 1.982 178.250 176.300 -0.053 0.000 1.107 472 R CA 1.026 57.100 56.100 -0.043 0.000 1.021 472 R CB -0.264 30.017 30.300 -0.032 0.000 0.852 472 R HN 0.695 nan 8.270 nan 0.000 0.475 473 Q N -0.306 119.445 119.800 -0.081 0.000 2.226 473 Q HA -0.051 4.321 4.340 0.054 0.000 0.204 473 Q C 1.061 177.016 176.000 -0.075 0.000 0.975 473 Q CA 0.920 56.667 55.803 -0.094 0.000 0.866 473 Q CB 0.195 28.837 28.738 -0.160 0.000 0.915 473 Q HN 0.529 nan 8.270 nan 0.000 0.440 474 G N 0.091 108.846 108.800 -0.074 0.000 2.709 474 G HA2 -0.398 3.595 3.960 0.054 0.000 0.228 474 G HA3 -0.398 3.595 3.960 0.054 0.000 0.228 474 G C 0.275 175.133 174.900 -0.070 0.000 1.215 474 G CA 0.209 45.273 45.100 -0.060 0.000 1.003 474 G HN 0.311 nan 8.290 nan 0.000 0.584 475 Q N 0.092 119.859 119.800 -0.056 0.000 1.975 475 Q HA 0.050 4.422 4.340 0.054 0.000 0.205 475 Q C 1.244 177.189 176.000 -0.092 0.000 0.990 475 Q CA 2.219 57.986 55.803 -0.060 0.000 0.845 475 Q CB -0.406 28.314 28.738 -0.031 0.000 0.913 475 Q HN 0.647 nan 8.270 nan 0.000 0.420 476 T N 1.953 116.459 114.554 -0.080 0.000 2.780 476 T HA 0.337 4.719 4.350 0.054 0.000 0.294 476 T C -0.660 173.912 174.700 -0.213 0.000 0.949 476 T CA -0.302 61.706 62.100 -0.154 0.000 1.074 476 T CB 0.736 69.580 68.868 -0.041 0.000 0.910 476 T HN 0.211 nan 8.240 nan 0.000 0.501 477 R N 3.151 123.473 120.500 -0.297 0.000 2.575 477 R HA 0.281 4.654 4.340 0.054 0.000 0.281 477 R C 1.054 177.154 176.300 -0.333 0.000 1.272 477 R CA -0.471 55.463 56.100 -0.276 0.000 1.417 477 R CB 0.797 30.965 30.300 -0.219 0.000 1.121 477 R HN 0.543 nan 8.270 nan 0.000 0.583 478 R N 0.381 120.676 120.500 -0.342 0.000 2.237 478 R HA -0.057 4.315 4.340 0.054 0.000 0.219 478 R C 0.565 176.819 176.300 -0.076 0.000 1.080 478 R CA 1.187 57.110 56.100 -0.295 0.000 0.995 478 R CB 0.243 30.373 30.300 -0.282 0.000 0.875 478 R HN 0.559 nan 8.270 nan 0.000 0.462 479 Y N -0.342 119.774 120.300 -0.307 0.000 2.683 479 Y HA 0.031 4.613 4.550 0.053 0.000 0.297 479 Y C 1.690 177.157 175.900 -0.722 0.000 1.147 479 Y CA -0.771 56.973 58.100 -0.594 0.000 1.274 479 Y CB 0.565 38.647 38.460 -0.631 0.000 1.143 479 Y HN 0.025 nan 8.280 nan 0.000 0.527 480 Q N 1.257 120.900 119.800 -0.261 0.000 2.297 480 Q HA -0.210 4.162 4.340 0.054 0.000 0.208 480 Q C 1.645 177.543 176.000 -0.171 0.000 0.981 480 Q CA 1.947 57.623 55.803 -0.212 0.000 0.876 480 Q CB -0.606 28.044 28.738 -0.145 0.000 0.921 480 Q HN 0.688 nan 8.270 nan 0.000 0.446 481 F N -1.509 118.419 119.950 -0.036 0.000 2.216 481 F HA 0.042 4.601 4.527 0.053 0.000 0.300 481 F C 1.942 177.793 175.800 0.086 0.000 1.085 481 F CA 0.706 58.718 58.000 0.020 0.000 1.326 481 F CB -1.073 37.929 39.000 0.004 0.000 1.027 481 F HN 0.082 nan 8.300 nan 0.000 0.497 482 A N 1.791 124.311 122.820 -0.499 0.000 1.927 482 A HA -0.281 4.071 4.320 0.054 0.000 0.220 482 A C 2.111 179.784 177.584 0.148 0.000 1.185 482 A CA 2.144 54.096 52.037 -0.142 0.000 0.639 482 A CB -1.098 17.577 19.000 -0.540 0.000 0.820 482 A HN 0.589 nan 8.150 nan 0.000 0.451 483 N N -1.851 116.861 118.700 0.020 0.000 2.289 483 N HA -0.167 4.606 4.740 0.054 0.000 0.184 483 N C 1.564 177.173 175.510 0.166 0.000 1.016 483 N CA 1.726 54.819 53.050 0.072 0.000 0.872 483 N CB -0.395 38.094 38.487 0.003 0.000 0.973 483 N HN 0.713 nan 8.380 nan 0.000 0.433 484 Y N 1.640 121.969 120.300 0.049 0.000 2.262 484 Y HA 0.060 4.642 4.550 0.054 0.000 0.295 484 Y C 0.764 176.699 175.900 0.059 0.000 1.121 484 Y CA 0.752 58.875 58.100 0.039 0.000 1.144 484 Y CB 0.376 38.854 38.460 0.029 0.000 1.043 484 Y HN -0.011 nan 8.280 nan 0.000 0.528 485 R N -0.870 119.672 120.500 0.071 0.000 2.687 485 R HA 0.479 4.851 4.340 0.054 0.000 0.265 485 R C -1.877 174.571 176.300 0.245 0.000 1.048 485 R CA -0.555 55.514 56.100 -0.052 0.000 0.884 485 R CB 1.355 31.495 30.300 -0.266 0.000 1.258 485 R HN 0.148 nan 8.270 nan 0.000 0.469 486 F N -1.859 118.128 119.950 0.062 0.000 2.842 486 F HA 0.688 5.247 4.527 0.053 0.000 0.319 486 F C -2.083 173.737 175.800 0.033 0.000 1.159 486 F CA -0.738 57.334 58.000 0.120 0.000 0.902 486 F CB 1.792 40.907 39.000 0.191 0.000 1.311 486 F HN 0.531 nan 8.300 nan 0.000 0.453 487 T N 3.012 117.799 114.554 0.388 0.000 3.011 487 T HA 0.589 4.972 4.350 0.054 0.000 0.303 487 T C -1.986 172.863 174.700 0.248 0.000 0.997 487 T CA -0.313 61.907 62.100 0.200 0.000 1.007 487 T CB 1.455 70.344 68.868 0.035 0.000 1.017 487 T HN 0.796 nan 8.240 nan 0.000 0.443 488 L N 4.841 126.166 121.223 0.169 0.000 2.313 488 L HA 0.835 5.207 4.340 0.054 0.000 0.283 488 L C -0.982 175.872 176.870 -0.027 0.000 1.013 488 L CA -0.502 54.328 54.840 -0.018 0.000 0.816 488 L CB 1.475 43.427 42.059 -0.179 0.000 1.236 488 L HN 0.487 nan 8.230 nan 0.000 0.419 489 V N 3.567 123.465 119.914 -0.027 0.000 2.769 489 V HA 1.017 5.169 4.120 0.054 0.000 0.312 489 V C -0.384 175.663 176.094 -0.078 0.000 1.061 489 V CA -0.344 61.912 62.300 -0.073 0.000 0.931 489 V CB 1.533 33.358 31.823 0.004 0.000 1.010 489 V HN 1.003 nan 8.190 nan 0.000 0.433 490 A N 1.792 124.517 122.820 -0.159 0.000 2.594 490 A HA 0.714 5.066 4.320 0.054 0.000 0.296 490 A C -0.697 176.845 177.584 -0.070 0.000 1.056 490 A CA -0.501 51.500 52.037 -0.060 0.000 0.693 490 A CB 1.683 20.671 19.000 -0.019 0.000 1.278 490 A HN 0.623 nan 8.150 nan 0.000 0.408 491 T N 1.607 116.201 114.554 0.067 0.000 2.795 491 T HA 0.655 5.037 4.350 0.054 0.000 0.282 491 T C 0.013 174.786 174.700 0.121 0.000 0.980 491 T CA 0.170 62.348 62.100 0.131 0.000 1.012 491 T CB 0.902 69.883 68.868 0.188 0.000 0.936 491 T HN 1.852 nan 8.240 nan 0.000 0.457 492 V N 0.937 120.931 119.914 0.132 0.000 3.181 492 V HA 1.023 5.175 4.120 0.054 0.000 0.308 492 V C -0.572 175.604 176.094 0.138 0.000 1.214 492 V CA -0.979 61.392 62.300 0.117 0.000 1.053 492 V CB 2.051 33.925 31.823 0.084 0.000 1.069 492 V HN 0.953 nan 8.190 nan 0.000 0.441 493 T N -0.289 114.316 114.554 0.085 0.000 2.916 493 T HA 0.735 5.118 4.350 0.054 0.000 0.305 493 T C -0.954 173.727 174.700 -0.032 0.000 1.119 493 T CA -0.534 61.611 62.100 0.076 0.000 1.008 493 T CB 1.598 70.514 68.868 0.080 0.000 1.129 493 T HN 0.855 nan 8.240 nan 0.000 0.480 494 I N 3.006 123.512 120.570 -0.107 0.000 2.321 494 I HA 0.302 4.504 4.170 0.054 0.000 0.291 494 I C 0.214 176.242 176.117 -0.149 0.000 0.998 494 I CA -0.734 60.409 61.300 -0.261 0.000 1.227 494 I CB 1.488 39.118 38.000 -0.616 0.000 1.368 494 I HN 0.752 nan 8.210 nan 0.000 0.466 495 D N 4.639 124.994 120.400 -0.075 0.000 2.301 495 D HA 0.089 4.761 4.640 0.054 0.000 0.206 495 D C 0.152 176.443 176.300 -0.015 0.000 0.979 495 D CA 0.938 54.922 54.000 -0.027 0.000 0.874 495 D CB 0.576 41.416 40.800 0.067 0.000 0.968 495 D HN 0.561 nan 8.370 nan 0.000 0.510 496 E N -0.095 120.133 120.200 0.047 0.000 2.352 496 E HA 0.328 4.710 4.350 0.054 0.000 0.280 496 E C -0.850 175.857 176.600 0.178 0.000 0.930 496 E CA -0.619 55.839 56.400 0.097 0.000 0.765 496 E CB 2.619 32.382 29.700 0.104 0.000 1.219 496 E HN -0.111 nan 8.360 nan 0.000 0.434 497 L N 4.302 125.623 121.223 0.163 0.000 2.499 497 L HA 0.179 4.551 4.340 0.054 0.000 0.273 497 L C -1.657 175.308 176.870 0.159 0.000 1.195 497 L CA -1.014 53.944 54.840 0.196 0.000 0.882 497 L CB -0.171 41.954 42.059 0.110 0.000 1.133 497 L HN 0.311 nan 8.230 nan 0.000 0.483 498 P HA 0.094 nan 4.420 nan 0.000 0.276 498 P C -0.148 177.159 177.300 0.012 0.000 1.252 498 P CA -0.671 62.455 63.100 0.042 0.000 0.802 498 P CB 1.259 32.886 31.700 -0.122 0.000 1.035 499 K N 0.121 120.514 120.400 -0.010 0.000 2.062 499 K HA -0.002 4.350 4.320 0.054 0.000 0.205 499 K C 1.340 177.925 176.600 -0.024 0.000 1.051 499 K CA 1.758 58.039 56.287 -0.011 0.000 0.941 499 K CB -0.438 32.056 32.500 -0.010 0.000 0.719 499 K HN 0.670 nan 8.250 nan 0.000 0.440 500 G N -0.896 107.877 108.800 -0.046 0.000 2.830 500 G HA2 0.170 4.162 3.960 0.054 0.000 0.177 500 G HA3 0.170 4.162 3.960 0.054 0.000 0.177 500 G C -0.653 174.198 174.900 -0.083 0.000 1.649 500 G CA -0.226 44.845 45.100 -0.049 0.000 0.867 500 G HN 0.204 nan 8.290 nan 0.000 0.780 501 T N 0.538 115.031 114.554 -0.101 0.000 2.856 501 T HA 0.705 5.087 4.350 0.054 0.000 0.283 501 T C -1.024 173.546 174.700 -0.218 0.000 1.008 501 T CA -0.206 61.805 62.100 -0.148 0.000 0.997 501 T CB 1.803 70.629 68.868 -0.071 0.000 0.992 501 T HN 0.355 nan 8.240 nan 0.000 0.454 502 S N 2.000 117.465 115.700 -0.391 0.000 2.546 502 S HA 0.681 5.183 4.470 0.054 0.000 0.274 502 S C -2.858 171.659 174.600 -0.140 0.000 1.121 502 S CA -1.521 56.472 58.200 -0.344 0.000 0.887 502 S CB 1.503 64.394 63.200 -0.514 0.000 1.094 502 S HN 0.341 nan 8.310 nan 0.000 0.474 503 P HA 0.332 nan 4.420 nan 0.000 0.279 503 P C -0.070 177.447 177.300 0.360 0.000 1.239 503 P CA -0.421 62.804 63.100 0.208 0.000 0.789 503 P CB 0.886 32.655 31.700 0.115 0.000 0.933 504 L N 3.354 124.800 121.223 0.372 0.000 2.694 504 L HA 0.583 4.956 4.340 0.054 0.000 0.228 504 L C -0.513 176.462 176.870 0.175 0.000 1.048 504 L CA 0.649 55.653 54.840 0.273 0.000 0.887 504 L CB 0.193 42.378 42.059 0.209 0.000 1.265 504 L HN 0.297 nan 8.230 nan 0.000 0.492 505 L N -0.622 120.663 121.223 0.104 0.000 2.983 505 L HA 0.658 5.030 4.340 0.054 0.000 0.249 505 L C -0.809 175.729 176.870 -0.555 0.000 0.963 505 L CA 0.630 55.333 54.840 -0.230 0.000 1.011 505 L CB 1.208 43.197 42.059 -0.116 0.000 1.607 505 L HN 0.281 nan 8.230 nan 0.000 0.447 506 G N 2.130 110.243 108.800 -1.145 0.000 2.336 506 G HA2 0.709 4.701 3.960 0.054 0.000 0.286 506 G HA3 0.709 4.701 3.960 0.054 0.000 0.286 506 G C -1.977 172.599 174.900 -0.540 0.000 1.269 506 G CA -0.064 44.590 45.100 -0.744 0.000 0.873 506 G HN 1.316 nan 8.290 nan 0.000 0.494 507 A N -0.845 121.969 122.820 -0.010 0.000 2.343 507 A HA 0.917 5.269 4.320 0.054 0.000 0.316 507 A C 0.285 177.926 177.584 0.096 0.000 1.104 507 A CA 0.317 52.383 52.037 0.048 0.000 0.768 507 A CB 1.410 20.421 19.000 0.017 0.000 1.213 507 A HN 2.078 nan 8.150 nan 0.000 0.456 508 G N 0.684 109.430 108.800 -0.090 0.000 2.454 508 G HA2 0.615 4.607 3.960 0.054 0.000 0.329 508 G HA3 0.615 4.607 3.960 0.054 0.000 0.329 508 G C -0.733 174.091 174.900 -0.127 0.000 1.177 508 G CA -0.691 44.341 45.100 -0.113 0.000 0.951 508 G HN 0.706 nan 8.290 nan 0.000 0.485 509 L N 0.449 121.642 121.223 -0.049 0.000 2.330 509 L HA 0.456 4.829 4.340 0.054 0.000 0.271 509 L C 0.274 177.142 176.870 -0.004 0.000 1.013 509 L CA -1.076 53.745 54.840 -0.032 0.000 0.816 509 L CB 1.810 43.859 42.059 -0.015 0.000 1.287 509 L HN 0.377 nan 8.230 nan 0.000 0.435 510 E N 1.239 121.435 120.200 -0.007 0.000 2.404 510 E HA 0.457 4.840 4.350 0.054 0.000 0.261 510 E C 0.294 176.894 176.600 -0.000 0.000 1.074 510 E CA 0.576 56.977 56.400 0.002 0.000 0.917 510 E CB 1.184 30.878 29.700 -0.009 0.000 0.965 510 E HN 0.796 nan 8.360 nan 0.000 0.433 511 G N 2.099 110.900 108.800 0.001 0.000 2.434 511 G HA2 -0.106 3.886 3.960 0.054 0.000 0.671 511 G HA3 -0.106 3.886 3.960 0.054 0.000 0.671 511 G C -2.558 172.341 174.900 -0.001 0.000 1.280 511 G CA -1.079 44.020 45.100 -0.001 0.000 0.975 511 G HN 0.435 nan 8.290 nan 0.000 0.510 512 P HA 0.469 nan 4.420 nan 0.000 0.270 512 P C 1.210 178.508 177.300 -0.003 0.000 1.227 512 P CA 1.683 64.782 63.100 -0.003 0.000 0.788 512 P CB 0.150 31.848 31.700 -0.002 0.000 0.926 513 G N 1.345 110.142 108.800 -0.006 0.000 2.564 513 G HA2 -0.195 3.797 3.960 0.054 0.000 0.273 513 G HA3 -0.195 3.797 3.960 0.054 0.000 0.273 513 G C -0.416 174.477 174.900 -0.011 0.000 1.242 513 G CA 0.401 45.496 45.100 -0.008 0.000 0.951 513 G HN 0.883 nan 8.290 nan 0.000 0.564 514 D N -0.397 119.994 120.400 -0.015 0.000 2.997 514 D HA 0.546 5.218 4.640 0.054 0.000 0.362 514 D C 0.567 176.851 176.300 -0.026 0.000 1.298 514 D CA 0.721 54.707 54.000 -0.023 0.000 0.756 514 D CB 0.020 40.796 40.800 -0.040 0.000 1.216 514 D HN 1.246 nan 8.370 nan 0.000 0.496 515 A N 1.116 123.929 122.820 -0.011 0.000 2.448 515 A HA 0.467 4.819 4.320 0.054 0.000 0.239 515 A C 0.043 177.628 177.584 0.002 0.000 1.080 515 A CA 0.107 52.143 52.037 -0.002 0.000 0.779 515 A CB 0.499 19.502 19.000 0.006 0.000 1.026 515 A HN 0.320 nan 8.150 nan 0.000 0.499 516 K N -0.003 120.411 120.400 0.024 0.000 2.385 516 K HA 0.503 4.855 4.320 0.054 0.000 0.248 516 K C 0.427 177.065 176.600 0.063 0.000 0.955 516 K CA -0.686 55.636 56.287 0.057 0.000 0.816 516 K CB 1.596 34.159 32.500 0.105 0.000 1.250 516 K HN 0.425 nan 8.250 nan 0.000 0.434 517 L N 1.261 122.532 121.223 0.080 0.000 2.145 517 L HA 0.432 4.805 4.340 0.054 0.000 0.201 517 L C -0.527 176.405 176.870 0.103 0.000 1.075 517 L CA 1.277 56.172 54.840 0.090 0.000 0.773 517 L CB 0.203 42.330 42.059 0.113 0.000 0.936 517 L HN 0.580 nan 8.230 nan 0.000 0.451 518 L N -1.147 120.150 121.223 0.123 0.000 2.612 518 L HA 0.739 5.111 4.340 0.054 0.000 0.256 518 L C -0.712 176.197 176.870 0.066 0.000 0.949 518 L CA 0.519 55.402 54.840 0.072 0.000 0.867 518 L CB 1.614 43.737 42.059 0.107 0.000 1.417 518 L HN 0.209 nan 8.230 nan 0.000 0.414 519 G N 1.937 110.720 108.800 -0.030 0.000 2.320 519 G HA2 0.527 4.519 3.960 0.054 0.000 0.296 519 G HA3 0.527 4.519 3.960 0.054 0.000 0.296 519 G C -2.791 172.071 174.900 -0.064 0.000 1.306 519 G CA -0.285 44.801 45.100 -0.023 0.000 0.836 519 G HN 0.958 nan 8.290 nan 0.000 0.517 520 L N 0.092 121.312 121.223 -0.004 0.000 2.431 520 L HA 0.919 5.291 4.340 0.054 0.000 0.266 520 L C -0.303 176.659 176.870 0.153 0.000 0.978 520 L CA -0.543 54.309 54.840 0.021 0.000 0.822 520 L CB 2.058 44.087 42.059 -0.051 0.000 1.310 520 L HN 0.821 nan 8.230 nan 0.000 0.409 521 S N 2.378 118.199 115.700 0.200 0.000 2.595 521 S HA 0.812 5.315 4.470 0.054 0.000 0.281 521 S C -1.614 173.206 174.600 0.368 0.000 1.117 521 S CA -0.404 57.954 58.200 0.263 0.000 0.873 521 S CB 1.168 64.451 63.200 0.139 0.000 1.108 521 S HN 0.603 nan 8.310 nan 0.000 0.477 522 Y N 0.682 121.062 120.300 0.133 0.000 2.536 522 Y HA 0.827 5.409 4.550 0.054 0.000 0.347 522 Y C -0.481 175.520 175.900 0.168 0.000 1.000 522 Y CA -1.074 57.109 58.100 0.139 0.000 1.051 522 Y CB 0.981 39.378 38.460 -0.106 0.000 1.259 522 Y HN 0.650 nan 8.280 nan 0.000 0.468 523 D N 0.386 120.909 120.400 0.205 0.000 2.712 523 D HA 0.237 4.909 4.640 0.054 0.000 0.252 523 D C 0.182 176.551 176.300 0.115 0.000 1.123 523 D CA -0.990 53.038 54.000 0.047 0.000 1.109 523 D CB 1.002 41.818 40.800 0.027 0.000 1.313 523 D HN 0.683 nan 8.370 nan 0.000 0.629 524 K N -1.148 119.263 120.400 0.018 0.000 2.432 524 K HA 0.092 4.444 4.320 0.054 0.000 0.196 524 K C 0.305 176.859 176.600 -0.077 0.000 1.038 524 K CA 0.458 56.743 56.287 -0.002 0.000 0.986 524 K CB -0.299 32.191 32.500 -0.017 0.000 0.782 524 K HN 0.111 nan 8.250 nan 0.000 0.485 525 N N 1.480 120.112 118.700 -0.113 0.000 2.270 525 N HA 0.085 4.857 4.740 0.054 0.000 0.198 525 N C -0.632 174.641 175.510 -0.394 0.000 1.117 525 N CA 0.023 52.958 53.050 -0.192 0.000 0.845 525 N CB 0.396 38.807 38.487 -0.127 0.000 0.980 525 N HN 0.190 nan 8.380 nan 0.000 0.486 526 R N 0.193 120.319 120.500 -0.623 0.000 3.532 526 R HA -0.155 4.217 4.340 0.054 0.000 0.284 526 R C -0.674 174.777 176.300 -1.416 0.000 1.140 526 R CA 0.571 55.696 56.100 -1.624 0.000 0.768 526 R CB -2.019 27.439 30.300 -1.403 0.000 1.252 526 R HN 0.409 nan 8.270 nan 0.000 0.454 527 Q N -0.401 119.117 119.800 -0.471 0.000 2.377 527 Q HA 0.341 4.713 4.340 0.054 0.000 0.271 527 Q C -0.515 175.620 176.000 0.225 0.000 1.077 527 Q CA -0.788 54.930 55.803 -0.142 0.000 0.820 527 Q CB 1.296 30.006 28.738 -0.046 0.000 1.347 527 Q HN 0.128 nan 8.270 nan 0.000 0.444 528 W N 1.274 122.790 121.300 0.360 0.000 2.202 528 W HA 0.338 5.030 4.660 0.054 0.000 0.332 528 W C 0.466 177.072 176.519 0.145 0.000 1.263 528 W CA -0.463 57.021 57.345 0.232 0.000 1.223 528 W CB 0.675 30.198 29.460 0.105 0.000 1.128 528 W HN 0.203 nan 8.180 nan 0.000 0.573 529 R N 2.834 123.554 120.500 0.367 0.000 2.443 529 R HA 0.260 4.632 4.340 0.054 0.000 0.287 529 R C -2.604 173.770 176.300 0.123 0.000 1.425 529 R CA -1.742 54.481 56.100 0.205 0.000 1.300 529 R CB 0.841 31.229 30.300 0.147 0.000 1.129 529 R HN 0.064 nan 8.270 nan 0.000 0.577 530 P HA 0.151 nan 4.420 nan 0.000 0.275 530 P C -0.711 176.422 177.300 -0.277 0.000 1.228 530 P CA -0.187 62.811 63.100 -0.170 0.000 0.786 530 P CB 0.793 32.365 31.700 -0.215 0.000 0.927 531 L N 3.207 124.188 121.223 -0.404 0.000 2.325 531 L HA 0.464 4.836 4.340 0.054 0.000 0.281 531 L C -0.651 175.974 176.870 -0.408 0.000 1.004 531 L CA -0.660 54.026 54.840 -0.255 0.000 0.823 531 L CB 1.032 43.051 42.059 -0.066 0.000 1.236 531 L HN 0.369 nan 8.230 nan 0.000 0.415 532 Y N 2.224 122.542 120.300 0.030 0.000 2.837 532 Y HA 0.592 5.174 4.550 0.053 0.000 0.356 532 Y C 1.025 176.936 175.900 0.018 0.000 1.035 532 Y CA -0.191 57.919 58.100 0.016 0.000 1.165 532 Y CB 1.184 39.642 38.460 -0.003 0.000 1.147 532 Y HN 0.919 nan 8.280 nan 0.000 0.628 533 G N 1.577 110.449 108.800 0.120 0.000 2.498 533 G HA2 -0.256 3.736 3.960 0.054 0.000 0.251 533 G HA3 -0.256 3.736 3.960 0.054 0.000 0.251 533 G C 0.972 175.915 174.900 0.071 0.000 1.170 533 G CA 0.121 45.274 45.100 0.087 0.000 0.944 533 G HN 0.837 nan 8.290 nan 0.000 0.567 534 A N 0.400 123.256 122.820 0.060 0.000 2.195 534 A HA 0.737 5.089 4.320 0.054 0.000 0.210 534 A C 1.725 179.340 177.584 0.052 0.000 1.165 534 A CA 1.634 53.699 52.037 0.046 0.000 0.806 534 A CB -0.637 18.383 19.000 0.033 0.000 0.847 534 A HN 2.487 nan 8.150 nan 0.000 0.482 535 A N 2.001 124.864 122.820 0.072 0.000 2.540 535 A HA 0.451 4.803 4.320 0.054 0.000 0.239 535 A C -1.787 175.845 177.584 0.079 0.000 1.061 535 A CA -0.803 51.279 52.037 0.075 0.000 0.758 535 A CB -0.492 18.564 19.000 0.093 0.000 0.991 535 A HN 0.366 nan 8.150 nan 0.000 0.502 536 P HA 0.150 nan 4.420 nan 0.000 0.264 536 P C -0.313 177.032 177.300 0.076 0.000 1.183 536 P CA 0.359 63.492 63.100 0.055 0.000 0.763 536 P CB 0.505 32.230 31.700 0.041 0.000 0.807 537 A N 3.190 126.051 122.820 0.067 0.000 2.666 537 A HA 0.353 4.705 4.320 0.054 0.000 0.312 537 A C 0.789 178.420 177.584 0.080 0.000 1.471 537 A CA -0.367 51.718 52.037 0.080 0.000 1.134 537 A CB -0.819 18.217 19.000 0.059 0.000 1.129 537 A HN 0.531 nan 8.150 nan 0.000 0.539 538 S N 3.525 119.282 115.700 0.094 0.000 2.523 538 S HA 0.578 5.080 4.470 0.054 0.000 0.275 538 S C -2.237 172.424 174.600 0.100 0.000 1.281 538 S CA -1.192 57.057 58.200 0.080 0.000 1.050 538 S CB 0.630 63.871 63.200 0.068 0.000 0.937 538 S HN 0.544 nan 8.310 nan 0.000 0.492 539 P HA 0.445 nan 4.420 nan 0.000 0.274 539 P C -0.223 177.143 177.300 0.110 0.000 1.237 539 P CA -0.157 63.008 63.100 0.108 0.000 0.793 539 P CB 1.038 32.783 31.700 0.075 0.000 0.977 540 T N -1.504 113.140 114.554 0.149 0.000 2.749 540 T HA 0.553 4.936 4.350 0.054 0.000 0.310 540 T C -0.232 174.587 174.700 0.199 0.000 1.496 540 T CA 0.652 62.838 62.100 0.144 0.000 1.006 540 T CB 0.545 69.499 68.868 0.143 0.000 1.457 540 T HN 0.854 nan 8.240 nan 0.000 0.497 541 G N 1.488 110.387 108.800 0.165 0.000 2.749 541 G HA2 0.148 4.140 3.960 0.054 0.000 0.242 541 G HA3 0.148 4.140 3.960 0.054 0.000 0.242 541 G C -0.148 174.807 174.900 0.092 0.000 1.364 541 G CA 0.284 45.506 45.100 0.204 0.000 0.888 541 G HN 1.718 nan 8.290 nan 0.000 0.566 542 S N -0.309 115.444 115.700 0.088 0.000 2.533 542 S HA 0.770 5.272 4.470 0.054 0.000 0.271 542 S C -0.822 173.754 174.600 -0.041 0.000 1.143 542 S CA 0.355 58.490 58.200 -0.107 0.000 0.891 542 S CB 0.916 64.071 63.200 -0.075 0.000 1.105 542 S HN 1.724 nan 8.310 nan 0.000 0.468 543 W N 0.985 122.108 121.300 -0.294 0.000 3.029 543 W HA 0.854 5.546 4.660 0.054 0.000 0.339 543 W C -0.728 175.751 176.519 -0.068 0.000 1.198 543 W CA -0.522 56.677 57.345 -0.243 0.000 1.148 543 W CB 0.599 29.527 29.460 -0.887 0.000 1.451 543 W HN 0.832 nan 8.180 nan 0.000 0.564 544 E N 1.624 122.152 120.200 0.547 0.000 2.256 544 E HA 0.585 4.967 4.350 0.054 0.000 0.267 544 E C -1.050 175.850 176.600 0.499 0.000 0.892 544 E CA -1.209 55.400 56.400 0.348 0.000 0.775 544 E CB 2.270 32.108 29.700 0.230 0.000 1.207 544 E HN 0.582 nan 8.360 nan 0.000 0.420 545 L N 1.739 123.148 121.223 0.310 0.000 2.506 545 L HA 0.159 4.532 4.340 0.054 0.000 0.281 545 L C 0.633 177.562 176.870 0.099 0.000 1.228 545 L CA 0.955 55.876 54.840 0.135 0.000 0.850 545 L CB -0.049 41.960 42.059 -0.083 0.000 1.110 545 L HN 1.129 nan 8.230 nan 0.000 0.496 546 H N -0.840 118.328 119.070 0.163 0.000 3.395 546 H HA -0.212 4.376 4.556 0.054 0.000 0.222 546 H C 0.128 175.495 175.328 0.065 0.000 1.099 546 H CA 1.198 57.303 56.048 0.095 0.000 1.182 546 H CB -0.930 28.876 29.762 0.074 0.000 1.188 546 H HN 0.450 nan 8.280 nan 0.000 0.317 547 K N 1.606 122.096 120.400 0.151 0.000 2.156 547 K HA 0.584 4.936 4.320 0.054 0.000 0.271 547 K C 0.128 176.618 176.600 -0.183 0.000 0.995 547 K CA 0.129 56.391 56.287 -0.043 0.000 0.890 547 K CB 0.713 33.133 32.500 -0.132 0.000 1.073 547 K HN 0.268 nan 8.250 nan 0.000 0.454 548 K N 3.268 123.558 120.400 -0.183 0.000 2.339 548 K HA 0.200 4.552 4.320 0.054 0.000 0.286 548 K C -1.332 175.145 176.600 -0.206 0.000 1.050 548 K CA 0.310 56.543 56.287 -0.090 0.000 0.956 548 K CB -0.002 32.501 32.500 0.005 0.000 0.990 548 K HN 0.560 nan 8.250 nan 0.000 0.475 549 Y N 0.290 120.694 120.300 0.173 0.000 2.425 549 Y HA 0.321 4.904 4.550 0.054 0.000 0.344 549 Y C 0.096 176.089 175.900 0.156 0.000 0.969 549 Y CA -0.904 57.306 58.100 0.183 0.000 1.052 549 Y CB 2.218 40.797 38.460 0.199 0.000 1.215 549 Y HN 0.833 nan 8.280 nan 0.000 0.451 550 H N 2.011 121.218 119.070 0.229 0.000 2.620 550 H HA 0.590 5.178 4.556 0.054 0.000 0.313 550 H C -1.209 174.129 175.328 0.016 0.000 1.075 550 H CA -0.314 55.818 56.048 0.140 0.000 1.397 550 H CB 0.632 30.519 29.762 0.209 0.000 1.446 550 H HN 0.396 nan 8.280 nan 0.000 0.493 551 V N 6.190 125.925 119.914 -0.299 0.000 2.495 551 V HA 0.443 4.595 4.120 0.054 0.000 0.298 551 V C -0.656 175.271 176.094 -0.279 0.000 1.031 551 V CA -0.797 61.346 62.300 -0.261 0.000 0.871 551 V CB 1.749 33.444 31.823 -0.213 0.000 0.988 551 V HN 0.558 nan 8.190 nan 0.000 0.432 552 V N 5.680 125.507 119.914 -0.145 0.000 2.686 552 V HA 0.528 4.680 4.120 0.054 0.000 0.306 552 V C -0.703 175.401 176.094 0.017 0.000 1.065 552 V CA -0.472 61.780 62.300 -0.081 0.000 0.894 552 V CB 2.132 33.900 31.823 -0.092 0.000 1.004 552 V HN 0.681 nan 8.190 nan 0.000 0.424 553 L N 3.316 124.546 121.223 0.012 0.000 2.333 553 L HA 0.671 5.044 4.340 0.054 0.000 0.280 553 L C -0.117 176.746 176.870 -0.012 0.000 1.004 553 L CA -0.198 54.667 54.840 0.043 0.000 0.820 553 L CB 2.076 44.196 42.059 0.101 0.000 1.247 553 L HN 0.605 nan 8.230 nan 0.000 0.416 554 T N 4.651 119.169 114.554 -0.060 0.000 2.829 554 T HA 0.652 5.034 4.350 0.054 0.000 0.280 554 T C -0.760 173.737 174.700 -0.338 0.000 0.999 554 T CA -0.404 61.585 62.100 -0.184 0.000 0.983 554 T CB 1.209 70.059 68.868 -0.029 0.000 0.968 554 T HN 0.383 nan 8.240 nan 0.000 0.446 555 M N 4.217 123.484 119.600 -0.554 0.000 2.164 555 M HA 0.655 5.167 4.480 0.054 0.000 0.260 555 M C -1.779 174.289 176.300 -0.387 0.000 0.974 555 M CA -0.427 54.560 55.300 -0.521 0.000 1.020 555 M CB 0.731 32.820 32.600 -0.851 0.000 1.903 555 M HN 0.780 nan 8.290 nan 0.000 0.469 556 A N 3.295 125.961 122.820 -0.256 0.000 2.587 556 A HA 0.727 5.079 4.320 0.054 0.000 0.293 556 A C -0.434 177.036 177.584 -0.189 0.000 1.087 556 A CA -0.408 51.477 52.037 -0.252 0.000 0.692 556 A CB 0.972 19.834 19.000 -0.229 0.000 1.291 556 A HN 0.810 nan 8.150 nan 0.000 0.407 557 D N 0.478 120.754 120.400 -0.207 0.000 2.733 557 D HA -0.206 4.466 4.640 0.054 0.000 0.232 557 D C 0.523 176.778 176.300 -0.076 0.000 1.161 557 D CA 1.559 55.488 54.000 -0.118 0.000 0.653 557 D CB -0.776 39.972 40.800 -0.086 0.000 1.052 557 D HN 0.804 nan 8.370 nan 0.000 0.424 558 R N -2.448 118.005 120.500 -0.078 0.000 4.000 558 R HA -0.260 4.112 4.340 0.054 0.000 0.362 558 R C 0.484 176.760 176.300 -0.041 0.000 1.183 558 R CA 1.388 57.464 56.100 -0.040 0.000 1.011 558 R CB -1.391 28.902 30.300 -0.012 0.000 1.501 558 R HN 0.469 nan 8.270 nan 0.000 0.553 559 Q N -0.800 118.961 119.800 -0.065 0.000 2.204 559 Q HA 0.672 5.044 4.340 0.054 0.000 0.254 559 Q C 0.313 176.281 176.000 -0.054 0.000 0.981 559 Q CA -0.132 55.639 55.803 -0.054 0.000 0.897 559 Q CB 2.026 30.726 28.738 -0.063 0.000 1.273 559 Q HN 0.252 nan 8.270 nan 0.000 0.464 560 G N -0.098 108.697 108.800 -0.007 0.000 2.667 560 G HA2 0.632 4.624 3.960 0.054 0.000 0.298 560 G HA3 0.632 4.624 3.960 0.054 0.000 0.298 560 G C -1.343 173.611 174.900 0.090 0.000 1.377 560 G CA -0.334 44.790 45.100 0.040 0.000 0.964 560 G HN 0.416 nan 8.290 nan 0.000 0.493 561 S N -0.976 114.768 115.700 0.072 0.000 2.537 561 S HA 0.709 5.211 4.470 0.054 0.000 0.270 561 S C -1.010 173.606 174.600 0.027 0.000 1.142 561 S CA -0.552 57.679 58.200 0.051 0.000 0.870 561 S CB 2.172 65.361 63.200 -0.017 0.000 1.112 561 S HN 0.733 nan 8.310 nan 0.000 0.466 562 V N 2.834 122.698 119.914 -0.083 0.000 2.577 562 V HA 0.527 4.679 4.120 0.054 0.000 0.303 562 V C -1.768 174.180 176.094 -0.244 0.000 1.042 562 V CA -0.629 61.613 62.300 -0.096 0.000 0.872 562 V CB 1.279 33.019 31.823 -0.138 0.000 0.998 562 V HN 0.876 nan 8.190 nan 0.000 0.423 563 Y N 2.843 123.056 120.300 -0.145 0.000 2.429 563 Y HA 0.756 5.338 4.550 0.054 0.000 0.342 563 Y C -0.042 175.709 175.900 -0.249 0.000 1.004 563 Y CA -1.063 56.939 58.100 -0.163 0.000 1.075 563 Y CB 2.221 40.613 38.460 -0.114 0.000 1.214 563 Y HN 0.354 nan 8.280 nan 0.000 0.455 564 V N 2.837 122.668 119.914 -0.138 0.000 2.483 564 V HA 0.273 4.425 4.120 0.054 0.000 0.297 564 V C -0.591 175.425 176.094 -0.130 0.000 1.027 564 V CA -1.088 61.066 62.300 -0.243 0.000 0.855 564 V CB 1.502 32.998 31.823 -0.544 0.000 0.995 564 V HN 0.900 nan 8.190 nan 0.000 0.424 565 D N 3.896 124.224 120.400 -0.120 0.000 3.012 565 D HA -0.197 4.476 4.640 0.054 0.000 0.222 565 D C 1.305 177.033 176.300 -0.954 0.000 1.167 565 D CA 2.199 55.921 54.000 -0.465 0.000 0.854 565 D CB -1.150 39.548 40.800 -0.169 0.000 1.107 565 D HN 1.450 nan 8.370 nan 0.000 0.421 566 G N -1.673 106.844 108.800 -0.471 0.000 2.232 566 G HA2 -0.277 3.715 3.960 0.054 0.000 0.226 566 G HA3 -0.277 3.715 3.960 0.054 0.000 0.226 566 G C 0.114 175.011 174.900 -0.004 0.000 0.996 566 G CA 0.294 45.212 45.100 -0.305 0.000 0.626 566 G HN 0.352 nan 8.290 nan 0.000 0.509 567 Q N 0.696 120.498 119.800 0.004 0.000 2.257 567 Q HA 0.584 4.956 4.340 0.054 0.000 0.262 567 Q C -2.688 173.311 176.000 -0.001 0.000 0.997 567 Q CA -1.882 53.957 55.803 0.061 0.000 0.873 567 Q CB 2.090 30.823 28.738 -0.007 0.000 1.312 567 Q HN 0.250 nan 8.270 nan 0.000 0.450 568 P HA 0.296 nan 4.420 nan 0.000 0.276 568 P C -0.464 176.700 177.300 -0.227 0.000 1.244 568 P CA -0.338 62.492 63.100 -0.449 0.000 0.801 568 P CB 0.720 32.144 31.700 -0.459 0.000 1.006 569 L N 0.739 121.836 121.223 -0.211 0.000 2.352 569 L HA 0.609 4.981 4.340 0.054 0.000 0.269 569 L C 0.795 177.643 176.870 -0.037 0.000 1.034 569 L CA -1.378 53.418 54.840 -0.073 0.000 0.806 569 L CB 0.913 42.951 42.059 -0.035 0.000 1.244 569 L HN 0.375 nan 8.230 nan 0.000 0.447 570 A N 0.764 123.588 122.820 0.006 0.000 2.540 570 A HA 0.399 4.751 4.320 0.054 0.000 0.239 570 A C 1.129 178.687 177.584 -0.043 0.000 1.061 570 A CA 0.850 52.877 52.037 -0.017 0.000 0.758 570 A CB -0.275 18.731 19.000 0.011 0.000 0.991 570 A HN 1.132 nan 8.150 nan 0.000 0.502 571 G N 1.319 110.009 108.800 -0.182 0.000 2.258 571 G HA2 -0.213 3.779 3.960 0.054 0.000 0.233 571 G HA3 -0.213 3.779 3.960 0.054 0.000 0.233 571 G C 0.566 175.058 174.900 -0.679 0.000 1.006 571 G CA 0.280 45.097 45.100 -0.471 0.000 0.620 571 G HN 1.351 nan 8.290 nan 0.000 0.511 572 S N 0.899 116.395 115.700 -0.340 0.000 2.544 572 S HA 0.441 4.943 4.470 0.054 0.000 0.290 572 S C 1.394 175.866 174.600 -0.214 0.000 1.276 572 S CA 1.442 59.513 58.200 -0.216 0.000 1.075 572 S CB 0.923 63.998 63.200 -0.208 0.000 0.849 572 S HN 2.117 nan 8.310 nan 0.000 0.494 573 G N 3.185 111.885 108.800 -0.168 0.000 2.205 573 G HA2 -0.180 3.813 3.960 0.054 0.000 0.180 573 G HA3 -0.180 3.813 3.960 0.054 0.000 0.180 573 G C -0.236 174.585 174.900 -0.131 0.000 1.004 573 G CA -0.747 44.278 45.100 -0.125 0.000 0.670 573 G HN 0.571 nan 8.290 nan 0.000 0.496 574 N N 1.066 119.651 118.700 -0.191 0.000 2.524 574 N HA 0.521 5.294 4.740 0.054 0.000 0.283 574 N C 0.357 175.826 175.510 -0.068 0.000 1.142 574 N CA 0.141 53.095 53.050 -0.160 0.000 0.984 574 N CB 0.969 39.295 38.487 -0.269 0.000 1.155 574 N HN 0.075 nan 8.380 nan 0.000 0.467 575 T N 0.679 115.205 114.554 -0.048 0.000 2.928 575 T HA 0.108 4.491 4.350 0.054 0.000 0.305 575 T C 1.463 176.171 174.700 0.013 0.000 1.035 575 T CA -0.089 62.000 62.100 -0.018 0.000 1.145 575 T CB 0.246 69.104 68.868 -0.018 0.000 0.963 575 T HN 0.392 nan 8.240 nan 0.000 0.545 576 V N 2.233 122.163 119.914 0.026 0.000 3.528 576 V HA 0.573 4.725 4.120 0.054 0.000 0.294 576 V C 0.307 176.426 176.094 0.041 0.000 1.404 576 V CA -0.199 62.133 62.300 0.053 0.000 1.065 576 V CB 0.307 32.171 31.823 0.068 0.000 0.904 576 V HN 0.525 nan 8.190 nan 0.000 0.435 577 V N 0.910 120.839 119.914 0.026 0.000 2.789 577 V HA 0.682 4.834 4.120 0.054 0.000 0.300 577 V C -1.234 174.870 176.094 0.017 0.000 1.184 577 V CA -0.580 61.734 62.300 0.024 0.000 0.930 577 V CB 2.328 34.167 31.823 0.027 0.000 1.041 577 V HN 0.522 nan 8.190 nan 0.000 0.430 578 R N 3.706 124.215 120.500 0.015 0.000 2.407 578 R HA 0.895 5.267 4.340 0.054 0.000 0.303 578 R C 0.210 176.517 176.300 0.012 0.000 0.981 578 R CA 0.725 56.832 56.100 0.012 0.000 0.905 578 R CB 1.613 31.919 30.300 0.010 0.000 1.099 578 R HN 1.634 nan 8.270 nan 0.000 0.459 579 G N 0.593 109.400 108.800 0.011 0.000 2.459 579 G HA2 0.131 4.124 3.960 0.054 0.000 0.685 579 G HA3 0.131 4.124 3.960 0.054 0.000 0.685 579 G C -0.208 174.700 174.900 0.014 0.000 1.303 579 G CA -0.399 44.708 45.100 0.011 0.000 0.907 579 G HN 0.612 nan 8.290 nan 0.000 0.632 580 A N -0.470 122.358 122.820 0.013 0.000 2.238 580 A HA 0.543 4.895 4.320 0.054 0.000 0.210 580 A C 1.380 178.970 177.584 0.010 0.000 1.179 580 A CA 1.872 53.917 52.037 0.014 0.000 0.827 580 A CB -0.107 18.900 19.000 0.012 0.000 0.856 580 A HN 1.395 nan 8.150 nan 0.000 0.488 581 T N 1.223 115.783 114.554 0.009 0.000 2.884 581 T HA 0.419 4.801 4.350 0.054 0.000 0.298 581 T C 0.150 174.854 174.700 0.007 0.000 0.998 581 T CA -0.097 62.006 62.100 0.005 0.000 1.124 581 T CB 0.811 69.683 68.868 0.007 0.000 0.931 581 T HN 0.240 nan 8.240 nan 0.000 0.531 582 L N 4.425 125.647 121.223 -0.002 0.000 2.439 582 L HA 0.262 4.634 4.340 0.054 0.000 0.269 582 L C -1.639 175.234 176.870 0.005 0.000 1.179 582 L CA -1.853 52.990 54.840 0.004 0.000 0.828 582 L CB 0.284 42.330 42.059 -0.021 0.000 1.106 582 L HN 0.450 nan 8.230 nan 0.000 0.467 583 P HA 0.070 nan 4.420 nan 0.000 0.272 583 P C -1.108 176.182 177.300 -0.016 0.000 1.240 583 P CA -0.261 62.842 63.100 0.005 0.000 0.791 583 P CB 0.500 32.212 31.700 0.020 0.000 0.978 584 D N 1.163 121.546 120.400 -0.027 0.000 2.456 584 D HA 0.240 4.912 4.640 0.054 0.000 0.287 584 D C -0.344 175.912 176.300 -0.075 0.000 1.186 584 D CA -0.381 53.590 54.000 -0.048 0.000 0.916 584 D CB -0.572 40.209 40.800 -0.032 0.000 1.029 584 D HN 0.175 nan 8.370 nan 0.000 0.498 585 I N 1.963 122.460 120.570 -0.122 0.000 2.662 585 I HA -0.084 4.118 4.170 0.054 0.000 0.285 585 I C 1.890 177.897 176.117 -0.184 0.000 1.161 585 I CA 0.181 61.363 61.300 -0.195 0.000 1.415 585 I CB 0.940 38.735 38.000 -0.342 0.000 1.385 585 I HN 0.302 nan 8.210 nan 0.000 0.552 586 S N 5.764 121.392 115.700 -0.119 0.000 2.377 586 S HA -0.024 4.478 4.470 0.054 0.000 0.223 586 S C 0.445 175.081 174.600 0.061 0.000 1.030 586 S CA 0.546 58.753 58.200 0.011 0.000 0.970 586 S CB -0.049 63.252 63.200 0.168 0.000 0.830 586 S HN 0.828 nan 8.310 nan 0.000 0.473 587 H N -1.761 117.199 119.070 -0.184 0.000 2.935 587 H HA 0.440 5.028 4.556 0.054 0.000 0.297 587 H C -1.920 173.297 175.328 -0.186 0.000 1.423 587 H CA -1.326 54.617 56.048 -0.174 0.000 1.161 587 H CB -0.225 29.544 29.762 0.012 0.000 1.841 587 H HN 0.222 nan 8.280 nan 0.000 0.506 588 F N 1.423 121.414 119.950 0.068 0.000 2.399 588 F HA 0.395 4.954 4.527 0.054 0.000 0.334 588 F C -0.230 175.704 175.800 0.224 0.000 1.097 588 F CA -0.993 56.998 58.000 -0.016 0.000 1.076 588 F CB 1.321 40.330 39.000 0.014 0.000 1.162 588 F HN 0.464 nan 8.300 nan 0.000 0.495 589 Y N 1.105 121.568 120.300 0.272 0.000 2.409 589 Y HA 0.807 5.389 4.550 0.054 0.000 0.343 589 Y C -1.310 174.696 175.900 0.176 0.000 0.973 589 Y CA -1.715 56.530 58.100 0.243 0.000 1.064 589 Y CB 0.936 39.506 38.460 0.184 0.000 1.207 589 Y HN 0.382 nan 8.280 nan 0.000 0.452 590 I N 4.755 125.479 120.570 0.257 0.000 2.410 590 I HA 0.656 4.858 4.170 0.054 0.000 0.286 590 I C 0.615 176.787 176.117 0.093 0.000 1.009 590 I CA -0.155 61.256 61.300 0.186 0.000 1.111 590 I CB 1.296 39.457 38.000 0.268 0.000 1.262 590 I HN 1.158 nan 8.210 nan 0.000 0.443 591 G N 4.838 113.715 108.800 0.129 0.000 2.520 591 G HA2 -0.121 3.871 3.960 0.054 0.000 0.248 591 G HA3 -0.121 3.871 3.960 0.054 0.000 0.248 591 G C 0.247 175.187 174.900 0.068 0.000 1.161 591 G CA -0.135 44.970 45.100 0.009 0.000 0.946 591 G HN 1.090 nan 8.290 nan 0.000 0.565 592 G N 1.145 109.897 108.800 -0.080 0.000 4.740 592 G HA2 0.726 4.718 3.960 0.054 0.000 0.290 592 G HA3 0.726 4.718 3.960 0.054 0.000 0.290 592 G C -2.282 172.571 174.900 -0.079 0.000 1.333 592 G CA 0.237 45.320 45.100 -0.028 0.000 0.923 592 G HN 0.652 nan 8.290 nan 0.000 0.559 593 P HA 0.547 nan 4.420 nan 0.000 0.274 593 P C -0.684 176.588 177.300 -0.047 0.000 1.231 593 P CA -0.243 62.819 63.100 -0.064 0.000 0.790 593 P CB 1.507 33.192 31.700 -0.025 0.000 0.951 594 R N -0.947 119.524 120.500 -0.048 0.000 2.907 594 R HA 0.321 4.693 4.340 0.054 0.000 0.246 594 R C -0.138 176.139 176.300 -0.039 0.000 1.082 594 R CA -0.589 55.483 56.100 -0.047 0.000 1.003 594 R CB -0.995 29.277 30.300 -0.047 0.000 1.261 594 R HN 0.302 nan 8.270 nan 0.000 0.474 595 S N 0.633 116.308 115.700 -0.041 0.000 2.540 595 S HA 0.252 4.754 4.470 0.054 0.000 0.218 595 S C 0.120 174.704 174.600 -0.027 0.000 0.977 595 S CA 0.221 58.402 58.200 -0.032 0.000 0.918 595 S CB -0.332 62.847 63.200 -0.035 0.000 0.806 595 S HN 0.808 nan 8.310 nan 0.000 0.496 596 K N -1.110 119.273 120.400 -0.028 0.000 2.615 596 K HA 0.616 4.968 4.320 0.054 0.000 0.291 596 K C 0.206 176.792 176.600 -0.025 0.000 1.017 596 K CA -0.574 55.698 56.287 -0.024 0.000 0.882 596 K CB 0.618 33.104 32.500 -0.022 0.000 1.522 596 K HN 0.529 nan 8.250 nan 0.000 0.412 597 G N 0.389 109.176 108.800 -0.021 0.000 2.542 597 G HA2 0.042 4.034 3.960 0.054 0.000 0.235 597 G HA3 0.042 4.034 3.960 0.054 0.000 0.235 597 G C -0.167 174.720 174.900 -0.021 0.000 1.286 597 G CA -0.116 44.971 45.100 -0.022 0.000 0.904 597 G HN 1.349 nan 8.290 nan 0.000 0.577 598 A N 1.680 124.485 122.820 -0.024 0.000 2.580 598 A HA 0.484 4.836 4.320 0.054 0.000 0.244 598 A C -0.860 176.711 177.584 -0.022 0.000 1.045 598 A CA 0.625 52.649 52.037 -0.023 0.000 0.761 598 A CB -0.153 18.831 19.000 -0.027 0.000 0.962 598 A HN 0.866 nan 8.150 nan 0.000 0.512 599 P HA 0.049 nan 4.420 nan 0.000 0.238 599 P C -0.243 177.052 177.300 -0.009 0.000 1.729 599 P CA 0.100 63.193 63.100 -0.011 0.000 1.055 599 P CB -0.806 30.890 31.700 -0.005 0.000 1.980 600 T N 1.662 116.207 114.554 -0.016 0.000 2.928 600 T HA 0.050 4.432 4.350 0.054 0.000 0.305 600 T C 0.301 175.003 174.700 0.003 0.000 1.035 600 T CA 0.690 62.782 62.100 -0.013 0.000 1.145 600 T CB 0.253 69.106 68.868 -0.026 0.000 0.963 600 T HN 0.210 nan 8.240 nan 0.000 0.545 601 D N 2.024 122.436 120.400 0.021 0.000 2.405 601 D HA 0.174 4.847 4.640 0.054 0.000 0.264 601 D C -0.675 175.677 176.300 0.085 0.000 1.240 601 D CA -0.353 53.676 54.000 0.048 0.000 0.893 601 D CB 0.648 41.476 40.800 0.046 0.000 1.198 601 D HN 0.294 nan 8.370 nan 0.000 0.514 602 S N 2.388 118.152 115.700 0.108 0.000 2.405 602 S HA 0.214 4.716 4.470 0.054 0.000 0.291 602 S C 0.461 175.197 174.600 0.226 0.000 1.137 602 S CA -0.539 57.782 58.200 0.203 0.000 1.061 602 S CB 0.347 63.680 63.200 0.222 0.000 1.001 602 S HN 0.167 nan 8.310 nan 0.000 0.507 603 R N 3.448 124.085 120.500 0.229 0.000 3.268 603 R HA 0.205 4.577 4.340 0.054 0.000 0.217 603 R C 0.004 176.383 176.300 0.132 0.000 1.568 603 R CA -0.104 56.102 56.100 0.175 0.000 1.322 603 R CB -1.120 29.265 30.300 0.143 0.000 1.280 603 R HN 0.490 nan 8.270 nan 0.000 0.667 604 V N -2.108 117.900 119.914 0.157 0.000 3.160 604 V HA 0.726 4.878 4.120 0.054 0.000 0.310 604 V C -0.201 175.960 176.094 0.112 0.000 1.181 604 V CA -0.766 61.582 62.300 0.079 0.000 1.047 604 V CB 2.687 34.526 31.823 0.026 0.000 1.068 604 V HN 0.275 nan 8.190 nan 0.000 0.441 605 T N 1.407 115.987 114.554 0.044 0.000 2.848 605 T HA 0.746 5.128 4.350 0.054 0.000 0.285 605 T C -0.904 173.820 174.700 0.040 0.000 0.995 605 T CA -0.391 61.695 62.100 -0.024 0.000 0.970 605 T CB 1.548 70.392 68.868 -0.041 0.000 0.976 605 T HN 0.850 nan 8.240 nan 0.000 0.441 606 V N 3.481 123.423 119.914 0.047 0.000 2.588 606 V HA 0.785 4.937 4.120 0.054 0.000 0.304 606 V C -0.003 176.210 176.094 0.198 0.000 1.042 606 V CA -0.905 61.494 62.300 0.164 0.000 0.877 606 V CB 1.988 33.992 31.823 0.301 0.000 0.996 606 V HN 1.095 nan 8.190 nan 0.000 0.425 607 T N 0.333 115.005 114.554 0.197 0.000 2.893 607 T HA 0.604 4.986 4.350 0.054 0.000 0.293 607 T C -0.384 174.455 174.700 0.233 0.000 1.027 607 T CA -0.781 61.456 62.100 0.229 0.000 0.988 607 T CB 1.210 70.171 68.868 0.156 0.000 1.043 607 T HN 0.768 nan 8.240 nan 0.000 0.461 608 N N -0.056 118.802 118.700 0.263 0.000 2.621 608 N HA -0.093 4.679 4.740 0.054 0.000 0.269 608 N C -0.754 174.918 175.510 0.270 0.000 1.154 608 N CA 0.041 53.292 53.050 0.334 0.000 0.696 608 N CB -0.942 37.766 38.487 0.369 0.000 0.878 608 N HN 0.612 nan 8.380 nan 0.000 0.550 609 V N 1.570 121.570 119.914 0.144 0.000 2.432 609 V HA 0.479 4.631 4.120 0.054 0.000 0.275 609 V C 0.646 176.837 176.094 0.161 0.000 1.043 609 V CA -0.498 61.827 62.300 0.043 0.000 0.925 609 V CB 1.585 33.295 31.823 -0.187 0.000 0.985 609 V HN 0.177 nan 8.190 nan 0.000 0.466 610 V N 6.033 125.997 119.914 0.083 0.000 2.680 610 V HA 0.609 4.761 4.120 0.054 0.000 0.309 610 V C -0.581 175.474 176.094 -0.065 0.000 1.052 610 V CA -0.785 61.496 62.300 -0.032 0.000 0.908 610 V CB 1.891 33.607 31.823 -0.178 0.000 1.001 610 V HN 0.678 nan 8.190 nan 0.000 0.431 611 L N 4.472 125.558 121.223 -0.229 0.000 2.409 611 L HA 0.731 5.103 4.340 0.054 0.000 0.272 611 L C -1.532 175.086 176.870 -0.419 0.000 0.980 611 L CA -0.020 54.645 54.840 -0.292 0.000 0.826 611 L CB 1.525 43.277 42.059 -0.512 0.000 1.268 611 L HN 0.571 nan 8.230 nan 0.000 0.407 612 Y N 2.330 122.552 120.300 -0.131 0.000 2.549 612 Y HA 0.414 4.996 4.550 0.053 0.000 0.339 612 Y C 0.807 176.619 175.900 -0.146 0.000 1.053 612 Y CA -0.662 57.335 58.100 -0.171 0.000 1.105 612 Y CB 1.354 39.728 38.460 -0.143 0.000 1.258 612 Y HN 0.713 nan 8.280 nan 0.000 0.478 613 N N 0.793 119.367 118.700 -0.211 0.000 2.295 613 N HA 0.115 4.887 4.740 0.054 0.000 0.221 613 N C -0.663 174.790 175.510 -0.094 0.000 1.129 613 N CA -0.374 52.429 53.050 -0.412 0.000 0.836 613 N CB 0.052 37.910 38.487 -1.048 0.000 1.040 613 N HN 0.749 nan 8.380 nan 0.000 0.494 614 R N -2.320 118.170 120.500 -0.018 0.000 2.752 614 R HA 0.446 4.818 4.340 0.054 0.000 0.271 614 R C -1.013 175.235 176.300 -0.087 0.000 1.026 614 R CA -1.046 55.021 56.100 -0.054 0.000 0.901 614 R CB 0.853 31.110 30.300 -0.071 0.000 1.243 614 R HN -0.208 nan 8.270 nan 0.000 0.463 615 R N 2.300 122.723 120.500 -0.128 0.000 2.248 615 R HA 0.235 4.607 4.340 0.054 0.000 0.337 615 R C -0.454 175.744 176.300 -0.171 0.000 1.085 615 R CA -0.256 55.750 56.100 -0.155 0.000 0.934 615 R CB -0.166 30.041 30.300 -0.155 0.000 1.034 615 R HN 0.628 nan 8.270 nan 0.000 0.465 616 L N 4.361 125.449 121.223 -0.226 0.000 2.485 616 L HA -0.079 4.293 4.340 0.054 0.000 0.275 616 L C 1.049 177.791 176.870 -0.213 0.000 1.207 616 L CA 0.038 54.713 54.840 -0.275 0.000 0.855 616 L CB 0.166 41.989 42.059 -0.394 0.000 1.114 616 L HN 0.678 nan 8.230 nan 0.000 0.485 617 N N 0.390 118.981 118.700 -0.182 0.000 2.347 617 N HA 0.024 4.796 4.740 0.054 0.000 0.253 617 N C 0.874 176.292 175.510 -0.153 0.000 1.274 617 N CA -0.021 52.946 53.050 -0.139 0.000 0.941 617 N CB 0.510 38.934 38.487 -0.104 0.000 1.200 617 N HN 0.576 nan 8.380 nan 0.000 0.514 618 S N -0.546 115.087 115.700 -0.112 0.000 2.356 618 S HA -0.244 4.258 4.470 0.054 0.000 0.223 618 S C 1.779 176.319 174.600 -0.100 0.000 1.032 618 S CA 1.516 59.653 58.200 -0.107 0.000 1.005 618 S CB -1.379 61.795 63.200 -0.044 0.000 0.867 618 S HN 0.765 nan 8.310 nan 0.000 0.449 619 S N 1.590 117.244 115.700 -0.077 0.000 2.402 619 S HA -0.030 4.472 4.470 0.054 0.000 0.229 619 S C 1.763 176.316 174.600 -0.079 0.000 1.021 619 S CA 0.932 59.095 58.200 -0.062 0.000 0.974 619 S CB -0.678 62.492 63.200 -0.049 0.000 0.800 619 S HN 0.699 nan 8.310 nan 0.000 0.484 620 E N 1.079 121.212 120.200 -0.112 0.000 2.150 620 E HA -0.003 4.379 4.350 0.054 0.000 0.193 620 E C 1.912 178.429 176.600 -0.138 0.000 0.985 620 E CA 1.288 57.607 56.400 -0.135 0.000 0.814 620 E CB -0.324 29.263 29.700 -0.187 0.000 0.752 620 E HN 0.624 nan 8.360 nan 0.000 0.466 621 I N 0.563 121.036 120.570 -0.161 0.000 2.353 621 I HA -0.213 3.990 4.170 0.054 0.000 0.248 621 I C 2.651 178.739 176.117 -0.048 0.000 1.119 621 I CA 0.729 61.939 61.300 -0.150 0.000 1.417 621 I CB -0.230 37.581 38.000 -0.316 0.000 1.078 621 I HN 0.023 nan 8.210 nan 0.000 0.421 622 R N 1.068 121.547 120.500 -0.035 0.000 2.083 622 R HA -0.170 4.202 4.340 0.054 0.000 0.237 622 R C 2.279 178.588 176.300 0.015 0.000 1.137 622 R CA 2.299 58.425 56.100 0.043 0.000 0.951 622 R CB -0.399 29.916 30.300 0.024 0.000 0.851 622 R HN 0.211 nan 8.270 nan 0.000 0.434 623 T N 1.499 116.033 114.554 -0.033 0.000 2.699 623 T HA -0.166 4.216 4.350 0.054 0.000 0.268 623 T C 1.787 176.447 174.700 -0.067 0.000 1.036 623 T CA 1.622 63.689 62.100 -0.055 0.000 1.147 623 T CB -0.176 68.658 68.868 -0.056 0.000 0.862 623 T HN 0.185 nan 8.240 nan 0.000 0.446 624 L N -0.152 121.045 121.223 -0.043 0.000 2.056 624 L HA -0.005 4.367 4.340 0.054 0.000 0.207 624 L C 2.321 179.069 176.870 -0.203 0.000 1.078 624 L CA 1.204 56.028 54.840 -0.026 0.000 0.749 624 L CB -0.526 41.598 42.059 0.109 0.000 0.901 624 L HN 0.218 nan 8.230 nan 0.000 0.433 625 F N 0.789 120.463 119.950 -0.460 0.000 2.171 625 F HA -0.185 4.374 4.527 0.054 0.000 0.300 625 F C 1.867 177.463 175.800 -0.339 0.000 1.090 625 F CA 1.469 59.056 58.000 -0.688 0.000 1.293 625 F CB -0.272 38.503 39.000 -0.375 0.000 1.013 625 F HN -0.087 nan 8.300 nan 0.000 0.486 626 L N 0.005 120.911 121.223 -0.529 0.000 2.591 626 L HA 0.077 4.449 4.340 0.054 0.000 0.228 626 L C 1.420 178.106 176.870 -0.308 0.000 1.133 626 L CA 0.821 55.336 54.840 -0.542 0.000 0.880 626 L CB -0.405 41.449 42.059 -0.342 0.000 1.033 626 L HN 0.352 nan 8.230 nan 0.000 0.450 627 S N -2.775 112.792 115.700 -0.223 0.000 2.847 627 S HA -0.017 4.485 4.470 0.054 0.000 0.254 627 S C 1.417 175.984 174.600 -0.055 0.000 1.039 627 S CA -0.491 57.638 58.200 -0.118 0.000 1.113 627 S CB 0.063 63.215 63.200 -0.080 0.000 1.092 627 S HN 0.477 nan 8.310 nan 0.000 0.620 628 Q N 1.030 120.795 119.800 -0.059 0.000 2.443 628 Q HA -0.125 4.247 4.340 0.054 0.000 0.213 628 Q C 0.214 176.258 176.000 0.075 0.000 0.982 628 Q CA 1.595 57.435 55.803 0.062 0.000 0.894 628 Q CB -0.613 28.209 28.738 0.140 0.000 0.947 628 Q HN 0.331 nan 8.270 nan 0.000 0.480 629 D N -0.096 120.317 120.400 0.022 0.000 2.328 629 D HA 0.144 4.816 4.640 0.054 0.000 0.221 629 D C 0.763 177.088 176.300 0.040 0.000 1.072 629 D CA 0.473 54.493 54.000 0.033 0.000 0.850 629 D CB 0.331 41.131 40.800 0.000 0.000 0.922 629 D HN 0.428 nan 8.370 nan 0.000 0.516 630 M N -0.708 118.920 119.600 0.046 0.000 2.279 630 M HA 0.233 4.745 4.480 0.054 0.000 0.306 630 M C 1.564 177.923 176.300 0.098 0.000 0.965 630 M CA 0.096 55.426 55.300 0.050 0.000 1.038 630 M CB 0.882 33.485 32.600 0.005 0.000 1.636 630 M HN -0.050 nan 8.290 nan 0.000 0.574 631 I N -1.817 118.837 120.570 0.141 0.000 3.427 631 I HA 0.371 4.573 4.170 0.054 0.000 0.288 631 I C 1.200 177.525 176.117 0.346 0.000 1.249 631 I CA -0.311 61.125 61.300 0.227 0.000 1.421 631 I CB -0.629 37.491 38.000 0.199 0.000 1.086 631 I HN 0.046 nan 8.210 nan 0.000 0.448 632 G N 1.750 110.708 108.800 0.264 0.000 2.559 632 G HA2 0.171 4.163 3.960 0.054 0.000 0.235 632 G HA3 0.171 4.163 3.960 0.054 0.000 0.235 632 G C 0.758 175.744 174.900 0.144 0.000 1.266 632 G CA 0.419 45.646 45.100 0.212 0.000 0.847 632 G HN 0.459 nan 8.290 nan 0.000 0.583 633 T N -1.831 112.752 114.554 0.049 0.000 3.330 633 T HA 0.476 4.858 4.350 0.054 0.000 0.249 633 T C 0.787 175.427 174.700 -0.100 0.000 0.980 633 T CA 1.192 63.275 62.100 -0.027 0.000 0.920 633 T CB -1.626 67.199 68.868 -0.072 0.000 1.065 633 T HN 1.874 nan 8.240 nan 0.000 0.588 634 D N 0.000 120.346 120.400 -0.089 0.000 6.856 634 D HA 0.000 4.672 4.640 0.054 0.000 0.175 634 D CA 0.000 53.884 54.000 -0.193 0.000 0.868 634 D CB 0.000 40.688 40.800 -0.187 0.000 0.688 634 D HN 0.000 nan 8.370 nan 0.000 0.683