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 1qij_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNCQQYVDE QFPGFSGSEM WNPNREMSED CLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE CNLNSDEELI HCLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVICP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.646 174.600 0.077 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.227 63.200 0.046 0.000 0.593 5 E N 2.827 123.075 120.200 0.080 0.000 2.265 5 E HA -0.019 4.331 4.350 -0.001 0.000 0.196 5 E C 0.997 177.705 176.600 0.179 0.000 0.996 5 E CA 1.038 57.510 56.400 0.120 0.000 0.832 5 E CB -0.018 29.742 29.700 0.101 0.000 0.756 5 E HN 0.731 nan 8.360 nan 0.000 0.491 6 L N 0.935 122.228 121.223 0.116 0.000 2.592 6 L HA 0.156 4.496 4.340 -0.001 0.000 0.227 6 L C 0.165 177.168 176.870 0.223 0.000 1.127 6 L CA -0.362 54.522 54.840 0.073 0.000 0.884 6 L CB 0.365 42.388 42.059 -0.059 0.000 1.065 6 L HN 0.129 nan 8.230 nan 0.000 0.457 7 L N 0.640 122.002 121.223 0.232 0.000 2.305 7 L HA 0.561 4.901 4.340 -0.001 0.000 0.284 7 L C -0.641 176.341 176.870 0.187 0.000 1.013 7 L CA -0.306 54.671 54.840 0.228 0.000 0.819 7 L CB 1.629 43.765 42.059 0.127 0.000 1.227 7 L HN -0.323 nan 8.230 nan 0.000 0.417 8 V N 4.341 124.354 119.914 0.165 0.000 2.709 8 V HA 0.497 4.617 4.120 -0.001 0.000 0.308 8 V C -0.725 175.298 176.094 -0.118 0.000 1.062 8 V CA -0.795 61.436 62.300 -0.116 0.000 0.901 8 V CB 2.088 33.560 31.823 -0.584 0.000 1.003 8 V HN 0.782 nan 8.190 nan 0.000 0.425 9 N N 2.687 121.250 118.700 -0.229 0.000 2.501 9 N HA 0.466 5.206 4.740 -0.001 0.000 0.245 9 N C -0.121 175.082 175.510 -0.512 0.000 0.974 9 N CA -0.170 52.720 53.050 -0.266 0.000 0.941 9 N CB 1.374 39.714 38.487 -0.246 0.000 1.122 9 N HN 0.914 nan 8.380 nan 0.000 0.507 10 T N 0.140 114.481 114.554 -0.354 0.000 2.884 10 T HA 0.344 4.693 4.350 -0.001 0.000 0.277 10 T C 1.004 175.447 174.700 -0.429 0.000 0.976 10 T CA -0.441 61.419 62.100 -0.401 0.000 0.956 10 T CB 0.941 69.805 68.868 -0.006 0.000 1.113 10 T HN 0.375 nan 8.240 nan 0.000 0.554 11 K N 0.029 120.225 120.400 -0.340 0.000 2.486 11 K HA 0.104 4.423 4.320 -0.001 0.000 0.194 11 K C 1.781 178.244 176.600 -0.229 0.000 1.033 11 K CA 0.350 56.484 56.287 -0.256 0.000 1.004 11 K CB 0.036 32.447 32.500 -0.148 0.000 0.798 11 K HN 0.385 nan 8.250 nan 0.000 0.495 12 S N -0.243 115.307 115.700 -0.250 0.000 2.511 12 S HA 0.204 4.673 4.470 -0.001 0.000 0.214 12 S C 0.450 174.349 174.600 -1.169 0.000 0.997 12 S CA 0.245 58.182 58.200 -0.439 0.000 0.908 12 S CB 1.053 64.202 63.200 -0.084 0.000 0.803 12 S HN 0.545 nan 8.310 nan 0.000 0.504 13 G N 0.992 109.264 108.800 -0.880 0.000 2.369 13 G HA2 0.141 4.101 3.960 -0.001 0.000 0.295 13 G HA3 0.141 4.101 3.960 -0.001 0.000 0.295 13 G C -1.828 172.945 174.900 -0.211 0.000 1.298 13 G CA -1.108 43.443 45.100 -0.915 0.000 0.940 13 G HN 0.091 nan 8.290 nan 0.000 0.536 14 K N -0.749 119.723 120.400 0.119 0.000 2.185 14 K HA 0.643 4.963 4.320 -0.001 0.000 0.271 14 K C -0.518 176.433 176.600 0.585 0.000 1.013 14 K CA -0.523 55.930 56.287 0.278 0.000 0.943 14 K CB 1.887 34.508 32.500 0.201 0.000 0.998 14 K HN 0.344 nan 8.250 nan 0.000 0.468 15 V N 3.275 123.469 119.914 0.467 0.000 2.638 15 V HA 0.283 4.403 4.120 -0.001 0.000 0.306 15 V C -0.938 175.456 176.094 0.501 0.000 1.052 15 V CA -0.873 61.771 62.300 0.573 0.000 0.885 15 V CB 1.727 33.940 31.823 0.651 0.000 0.999 15 V HN 0.737 nan 8.190 nan 0.000 0.424 16 M N 4.503 124.349 119.600 0.409 0.000 2.066 16 M HA 0.723 5.203 4.480 -0.001 0.000 0.340 16 M C 0.327 176.715 176.300 0.146 0.000 1.053 16 M CA 0.184 55.637 55.300 0.254 0.000 0.983 16 M CB 0.796 33.476 32.600 0.133 0.000 1.520 16 M HN 0.755 nan 8.290 nan 0.000 0.428 17 G N 1.777 110.527 108.800 -0.083 0.000 2.510 17 G HA2 0.606 4.565 3.960 -0.001 0.000 0.280 17 G HA3 0.606 4.565 3.960 -0.001 0.000 0.280 17 G C -0.936 173.747 174.900 -0.362 0.000 1.386 17 G CA -0.345 44.415 45.100 -0.566 0.000 1.047 17 G HN 0.655 nan 8.290 nan 0.000 0.527 18 T N -1.997 112.326 114.554 -0.385 0.000 2.903 18 T HA 0.549 4.898 4.350 -0.001 0.000 0.299 18 T C -0.513 174.076 174.700 -0.184 0.000 1.093 18 T CA -0.751 61.217 62.100 -0.220 0.000 1.002 18 T CB 1.618 70.389 68.868 -0.161 0.000 1.127 18 T HN 0.666 nan 8.240 nan 0.000 0.488 19 R N 2.413 122.848 120.500 -0.108 0.000 2.297 19 R HA 0.675 5.015 4.340 -0.001 0.000 0.308 19 R C -0.625 175.683 176.300 0.013 0.000 1.029 19 R CA -0.552 55.521 56.100 -0.046 0.000 0.929 19 R CB 0.651 30.908 30.300 -0.071 0.000 1.046 19 R HN 0.575 nan 8.270 nan 0.000 0.461 20 V N 1.914 121.881 119.914 0.088 0.000 2.735 20 V HA 0.709 4.828 4.120 -0.001 0.000 0.310 20 V C -2.631 173.548 176.094 0.142 0.000 1.061 20 V CA -2.646 59.714 62.300 0.101 0.000 0.913 20 V CB 1.799 33.657 31.823 0.057 0.000 1.005 20 V HN 0.819 nan 8.190 nan 0.000 0.428 21 P HA 0.484 nan 4.420 nan 0.000 0.284 21 P C -0.997 176.123 177.300 -0.301 0.000 1.253 21 P CA -0.263 62.666 63.100 -0.286 0.000 0.800 21 P CB 2.094 33.676 31.700 -0.196 0.000 0.961 22 V N 5.457 125.106 119.914 -0.442 0.000 2.752 22 V HA 0.158 4.278 4.120 -0.001 0.000 0.302 22 V C 0.162 175.953 176.094 -0.505 0.000 1.133 22 V CA -0.867 61.176 62.300 -0.428 0.000 0.919 22 V CB 1.130 32.663 31.823 -0.484 0.000 1.026 22 V HN 0.510 nan 8.190 nan 0.000 0.429 23 L N 5.940 127.024 121.223 -0.231 0.000 3.833 23 L HA -0.195 4.145 4.340 -0.001 0.000 0.447 23 L C 0.811 177.557 176.870 -0.207 0.000 1.213 23 L CA 1.008 55.755 54.840 -0.156 0.000 0.801 23 L CB -1.510 40.506 42.059 -0.073 0.000 1.676 23 L HN 1.544 nan 8.230 nan 0.000 0.883 24 S N -2.097 113.475 115.700 -0.214 0.000 3.527 24 S HA -0.105 4.365 4.470 -0.001 0.000 0.409 24 S C 0.015 174.478 174.600 -0.227 0.000 0.900 24 S CA 0.908 58.994 58.200 -0.190 0.000 1.320 24 S CB -1.016 62.134 63.200 -0.083 0.000 0.915 24 S HN 1.120 nan 8.310 nan 0.000 0.575 25 S N 0.592 116.036 115.700 -0.425 0.000 2.627 25 S HA 0.693 5.162 4.470 -0.001 0.000 0.270 25 S C -1.781 172.427 174.600 -0.653 0.000 1.147 25 S CA -0.452 57.541 58.200 -0.345 0.000 0.944 25 S CB 0.532 63.595 63.200 -0.228 0.000 1.201 25 S HN 1.060 nan 8.310 nan 0.000 0.479 26 H N -0.152 118.877 119.070 -0.068 0.000 3.016 26 H HA 0.823 5.379 4.556 -0.001 0.000 0.362 26 H C -0.567 174.795 175.328 0.056 0.000 1.233 26 H CA -0.145 55.883 56.048 -0.033 0.000 1.124 26 H CB 1.587 31.346 29.762 -0.005 0.000 1.850 26 H HN 0.770 nan 8.280 nan 0.000 0.549 27 I N -2.154 118.537 120.570 0.201 0.000 3.195 27 I HA 0.705 4.875 4.170 -0.001 0.000 0.313 27 I C -1.136 175.089 176.117 0.180 0.000 1.237 27 I CA -0.922 60.508 61.300 0.218 0.000 0.963 27 I CB 2.547 40.703 38.000 0.259 0.000 1.278 27 I HN 0.437 nan 8.210 nan 0.000 0.460 28 S N 1.578 117.392 115.700 0.190 0.000 2.616 28 S HA 0.867 5.337 4.470 -0.001 0.000 0.277 28 S C -0.299 174.348 174.600 0.078 0.000 1.234 28 S CA -0.452 57.797 58.200 0.082 0.000 1.028 28 S CB 1.533 64.823 63.200 0.151 0.000 0.988 28 S HN 0.929 nan 8.310 nan 0.000 0.522 29 A N 1.799 124.507 122.820 -0.186 0.000 2.429 29 A HA 0.693 5.012 4.320 -0.001 0.000 0.289 29 A C -1.470 175.868 177.584 -0.409 0.000 1.043 29 A CA -0.645 51.233 52.037 -0.266 0.000 0.722 29 A CB 0.446 19.293 19.000 -0.255 0.000 1.243 29 A HN 0.602 nan 8.150 nan 0.000 0.415 30 F N 3.052 122.898 119.950 -0.173 0.000 2.325 30 F HA 0.495 5.022 4.527 -0.000 0.000 0.369 30 F C 0.001 175.705 175.800 -0.160 0.000 1.095 30 F CA -0.468 57.507 58.000 -0.043 0.000 1.082 30 F CB 1.168 40.249 39.000 0.136 0.000 1.289 30 F HN 0.374 nan 8.300 nan 0.000 0.462 31 L N 2.295 123.497 121.223 -0.035 0.000 2.322 31 L HA 0.663 5.003 4.340 -0.001 0.000 0.279 31 L C 0.999 177.914 176.870 0.075 0.000 1.036 31 L CA -0.925 53.886 54.840 -0.047 0.000 0.807 31 L CB 1.466 43.433 42.059 -0.153 0.000 1.226 31 L HN 0.836 nan 8.230 nan 0.000 0.433 32 G N 3.105 111.962 108.800 0.094 0.000 2.225 32 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.264 32 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.264 32 G C -0.071 174.891 174.900 0.103 0.000 1.060 32 G CA -0.331 44.812 45.100 0.073 0.000 0.833 32 G HN 0.486 nan 8.290 nan 0.000 0.498 33 I N 1.981 122.551 120.570 0.001 0.000 2.496 33 I HA 0.244 4.414 4.170 -0.001 0.000 0.285 33 I C -1.282 174.636 176.117 -0.331 0.000 1.080 33 I CA -2.033 59.099 61.300 -0.280 0.000 1.404 33 I CB 1.031 38.882 38.000 -0.248 0.000 1.403 33 I HN 0.012 nan 8.210 nan 0.000 0.539 34 P HA 0.129 nan 4.420 nan 0.000 0.282 34 P C -0.445 176.494 177.300 -0.601 0.000 1.249 34 P CA -0.111 62.583 63.100 -0.676 0.000 0.806 34 P CB 0.945 32.160 31.700 -0.809 0.000 0.984 35 F N -0.542 119.086 119.950 -0.538 0.000 2.856 35 F HA 0.747 5.274 4.527 -0.001 0.000 0.338 35 F C -0.201 175.478 175.800 -0.202 0.000 1.100 35 F CA -0.869 56.864 58.000 -0.447 0.000 1.150 35 F CB -0.007 38.719 39.000 -0.456 0.000 1.101 35 F HN 0.394 nan 8.300 nan 0.000 0.548 36 A N 0.124 122.666 122.820 -0.464 0.000 2.606 36 A HA 0.611 4.931 4.320 -0.001 0.000 0.293 36 A C -0.942 176.465 177.584 -0.296 0.000 1.082 36 A CA -0.758 51.132 52.037 -0.245 0.000 0.685 36 A CB 1.115 19.981 19.000 -0.224 0.000 1.284 36 A HN 0.073 nan 8.150 nan 0.000 0.408 37 E N 0.873 120.983 120.200 -0.150 0.000 2.373 37 E HA 0.271 4.621 4.350 -0.001 0.000 0.267 37 E C -2.340 174.159 176.600 -0.168 0.000 1.032 37 E CA -1.385 54.941 56.400 -0.123 0.000 0.889 37 E CB 0.157 29.828 29.700 -0.048 0.000 0.984 37 E HN 0.234 nan 8.360 nan 0.000 0.425 38 P HA -0.007 nan 4.420 nan 0.000 0.258 38 P C -2.109 175.122 177.300 -0.115 0.000 1.187 38 P CA -0.598 62.415 63.100 -0.145 0.000 0.767 38 P CB -0.007 31.646 31.700 -0.078 0.000 0.770 39 P HA -0.021 nan 4.420 nan 0.000 0.249 39 P C -0.017 177.212 177.300 -0.119 0.000 1.686 39 P CA 0.181 63.215 63.100 -0.110 0.000 0.873 39 P CB -0.179 31.455 31.700 -0.110 0.000 1.828 40 V N -3.413 116.440 119.914 -0.102 0.000 3.336 40 V HA 0.831 4.951 4.120 -0.001 0.000 0.314 40 V C 1.255 177.296 176.094 -0.088 0.000 1.088 40 V CA 0.087 62.325 62.300 -0.104 0.000 1.033 40 V CB 0.214 31.986 31.823 -0.085 0.000 1.181 40 V HN 0.472 nan 8.190 nan 0.000 0.449 41 G N 1.075 109.824 108.800 -0.085 0.000 2.651 41 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.315 41 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.315 41 G C 0.599 175.454 174.900 -0.074 0.000 1.258 41 G CA 1.169 46.228 45.100 -0.069 0.000 1.002 41 G HN 1.070 nan 8.290 nan 0.000 0.551 42 N N 0.465 119.138 118.700 -0.045 0.000 2.573 42 N HA 0.118 4.858 4.740 -0.001 0.000 0.187 42 N C 2.216 177.711 175.510 -0.025 0.000 1.107 42 N CA 1.094 54.129 53.050 -0.026 0.000 0.918 42 N CB -0.113 38.373 38.487 -0.002 0.000 0.966 42 N HN 0.507 nan 8.380 nan 0.000 0.448 43 M N -0.522 119.049 119.600 -0.047 0.000 2.556 43 M HA 0.042 4.521 4.480 -0.001 0.000 0.245 43 M C 0.573 176.826 176.300 -0.079 0.000 1.128 43 M CA -0.050 55.223 55.300 -0.045 0.000 1.069 43 M CB 0.301 32.872 32.600 -0.047 0.000 1.469 43 M HN -0.002 nan 8.290 nan 0.000 0.494 44 R N 0.617 121.023 120.500 -0.157 0.000 2.585 44 R HA -0.094 4.246 4.340 -0.001 0.000 0.275 44 R C -0.314 175.811 176.300 -0.292 0.000 1.018 44 R CA 0.690 56.578 56.100 -0.353 0.000 1.072 44 R CB 0.193 30.151 30.300 -0.571 0.000 0.953 44 R HN 0.238 nan 8.270 nan 0.000 0.419 45 F N -1.011 118.946 119.950 0.012 0.000 2.666 45 F HA -0.315 4.211 4.527 -0.001 0.000 0.458 45 F C 0.755 176.538 175.800 -0.028 0.000 0.561 45 F CA 1.452 59.435 58.000 -0.028 0.000 1.129 45 F CB -1.500 37.473 39.000 -0.046 0.000 1.751 45 F HN 0.649 nan 8.300 nan 0.000 0.275 46 R N 1.461 122.028 120.500 0.112 0.000 2.543 46 R HA 0.518 4.857 4.340 -0.001 0.000 0.268 46 R C 0.490 176.813 176.300 0.038 0.000 1.067 46 R CA -0.635 55.506 56.100 0.068 0.000 1.142 46 R CB 0.735 31.061 30.300 0.044 0.000 1.110 46 R HN 0.103 nan 8.270 nan 0.000 0.549 47 R N 2.225 122.746 120.500 0.036 0.000 2.679 47 R HA 0.103 4.442 4.340 -0.001 0.000 0.268 47 R C -1.909 174.409 176.300 0.029 0.000 1.044 47 R CA -1.071 55.050 56.100 0.034 0.000 1.105 47 R CB 0.121 30.445 30.300 0.041 0.000 0.989 47 R HN 0.509 nan 8.270 nan 0.000 0.447 48 P HA 0.051 nan 4.420 nan 0.000 0.275 48 P C -0.905 176.420 177.300 0.042 0.000 1.227 48 P CA 0.051 63.171 63.100 0.034 0.000 0.781 48 P CB 0.972 32.714 31.700 0.070 0.000 0.906 49 E N 2.847 123.061 120.200 0.023 0.000 2.202 49 E HA 0.424 4.773 4.350 -0.001 0.000 0.272 49 E C -2.321 174.306 176.600 0.044 0.000 0.951 49 E CA -2.537 53.883 56.400 0.034 0.000 0.813 49 E CB 0.450 30.163 29.700 0.021 0.000 1.151 49 E HN 0.315 nan 8.360 nan 0.000 0.398 50 P HA -0.039 nan 4.420 nan 0.000 0.265 50 P C -0.327 177.021 177.300 0.079 0.000 1.187 50 P CA -0.035 63.125 63.100 0.100 0.000 0.766 50 P CB 0.418 32.183 31.700 0.107 0.000 0.820 51 K N 3.479 123.932 120.400 0.090 0.000 2.412 51 K HA 0.061 4.381 4.320 -0.001 0.000 0.281 51 K C -0.234 176.450 176.600 0.141 0.000 1.027 51 K CA 0.291 56.627 56.287 0.082 0.000 0.989 51 K CB 0.016 32.557 32.500 0.068 0.000 0.935 51 K HN 0.218 nan 8.250 nan 0.000 0.475 52 K N 5.928 126.408 120.400 0.133 0.000 2.368 52 K HA 0.150 4.470 4.320 -0.001 0.000 0.282 52 K C -2.169 174.544 176.600 0.187 0.000 1.035 52 K CA -1.617 54.748 56.287 0.130 0.000 0.973 52 K CB 0.369 32.935 32.500 0.111 0.000 0.957 52 K HN 0.534 nan 8.250 nan 0.000 0.474 53 P HA -0.108 nan 4.420 nan 0.000 0.269 53 P C -1.279 176.084 177.300 0.105 0.000 1.205 53 P CA 0.165 63.226 63.100 -0.065 0.000 0.780 53 P CB 0.273 31.895 31.700 -0.130 0.000 0.858 54 W N -0.218 121.149 121.300 0.111 0.000 2.962 54 W HA 0.734 5.394 4.660 -0.001 0.000 0.341 54 W C -1.240 175.350 176.519 0.118 0.000 1.155 54 W CA -0.750 56.677 57.345 0.137 0.000 1.165 54 W CB 0.296 29.895 29.460 0.232 0.000 1.435 54 W HN 0.079 nan 8.180 nan 0.000 0.546 55 S N 1.143 117.047 115.700 0.340 0.000 2.651 55 S HA 0.825 5.294 4.470 -0.001 0.000 0.291 55 S C 0.371 175.164 174.600 0.321 0.000 1.141 55 S CA 0.475 58.806 58.200 0.218 0.000 1.027 55 S CB 1.046 64.325 63.200 0.131 0.000 1.043 55 S HN 1.571 nan 8.310 nan 0.000 0.530 56 G N 0.294 109.231 108.800 0.227 0.000 2.615 56 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.218 56 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.218 56 G C -1.151 173.939 174.900 0.316 0.000 1.339 56 G CA -0.483 44.746 45.100 0.215 0.000 0.884 56 G HN 1.004 nan 8.290 nan 0.000 0.559 57 V N 0.585 120.648 119.914 0.249 0.000 2.384 57 V HA 0.531 4.651 4.120 -0.001 0.000 0.287 57 V C 0.340 176.583 176.094 0.249 0.000 1.020 57 V CA -0.584 61.894 62.300 0.296 0.000 0.850 57 V CB 1.749 33.681 31.823 0.182 0.000 0.987 57 V HN 0.755 nan 8.190 nan 0.000 0.436 58 W N 5.133 126.536 121.300 0.171 0.000 2.266 58 W HA 0.223 4.882 4.660 -0.000 0.000 0.317 58 W C 0.185 176.702 176.519 -0.003 0.000 1.310 58 W CA -0.285 57.001 57.345 -0.098 0.000 1.207 58 W CB 0.919 30.161 29.460 -0.364 0.000 1.199 58 W HN 0.646 nan 8.180 nan 0.000 0.544 59 N N 4.750 123.219 118.700 -0.384 0.000 2.482 59 N HA 0.211 4.951 4.740 -0.001 0.000 0.242 59 N C -0.546 174.965 175.510 0.000 0.000 1.100 59 N CA 0.120 53.069 53.050 -0.167 0.000 0.946 59 N CB 0.701 39.022 38.487 -0.277 0.000 1.227 59 N HN 0.382 nan 8.380 nan 0.000 0.508 60 A N 2.747 125.697 122.820 0.217 0.000 3.264 60 A HA 0.196 4.516 4.320 -0.001 0.000 0.299 60 A C 1.033 178.641 177.584 0.039 0.000 1.272 60 A CA -0.432 51.748 52.037 0.239 0.000 1.030 60 A CB -0.493 18.742 19.000 0.391 0.000 1.102 60 A HN 0.612 nan 8.150 nan 0.000 0.615 61 S N -1.024 114.655 115.700 -0.035 0.000 2.539 61 S HA 0.182 4.652 4.470 -0.001 0.000 0.221 61 S C 0.667 175.192 174.600 -0.126 0.000 0.987 61 S CA 0.541 58.679 58.200 -0.103 0.000 0.929 61 S CB -0.233 62.907 63.200 -0.100 0.000 0.832 61 S HN 0.823 nan 8.310 nan 0.000 0.492 62 T N -0.920 113.575 114.554 -0.099 0.000 2.903 62 T HA 0.636 4.986 4.350 -0.001 0.000 0.299 62 T C -0.829 173.856 174.700 -0.025 0.000 1.093 62 T CA -0.733 61.306 62.100 -0.101 0.000 1.002 62 T CB 0.719 69.544 68.868 -0.071 0.000 1.127 62 T HN 0.056 nan 8.240 nan 0.000 0.488 63 Y N 2.925 123.200 120.300 -0.043 0.000 2.652 63 Y HA 0.295 4.844 4.550 -0.001 0.000 0.344 63 Y C -1.276 174.566 175.900 -0.096 0.000 1.254 63 Y CA -1.223 56.852 58.100 -0.041 0.000 1.480 63 Y CB 0.012 38.470 38.460 -0.004 0.000 1.345 63 Y HN 0.563 nan 8.280 nan 0.000 0.617 64 P HA 0.114 nan 4.420 nan 0.000 0.293 64 P C -0.579 176.652 177.300 -0.115 0.000 1.304 64 P CA -0.508 62.478 63.100 -0.190 0.000 0.767 64 P CB 1.040 32.553 31.700 -0.312 0.000 1.247 65 N N -0.140 118.472 118.700 -0.146 0.000 2.347 65 N HA 0.149 4.889 4.740 -0.001 0.000 0.253 65 N C -0.031 175.458 175.510 -0.034 0.000 1.274 65 N CA -0.009 53.000 53.050 -0.069 0.000 0.941 65 N CB 0.087 38.543 38.487 -0.052 0.000 1.200 65 N HN 0.413 nan 8.380 nan 0.000 0.514 66 N N -0.653 118.018 118.700 -0.049 0.000 2.417 66 N HA 0.397 5.137 4.740 -0.001 0.000 0.300 66 N C 0.122 175.601 175.510 -0.052 0.000 1.102 66 N CA -0.742 52.273 53.050 -0.058 0.000 0.886 66 N CB 1.341 39.775 38.487 -0.089 0.000 1.203 66 N HN 0.620 nan 8.380 nan 0.000 0.496 67 C N 1.340 120.613 119.300 -0.046 0.000 2.665 67 C HA 0.048 4.508 4.460 -0.001 0.000 0.416 67 C C 0.968 175.908 174.990 -0.083 0.000 1.305 67 C CA 0.064 59.045 59.018 -0.062 0.000 1.903 67 C CB -0.236 27.492 27.740 -0.020 0.000 2.704 67 C HN 0.516 nan 8.230 nan 0.000 0.629 68 Q N 2.935 122.624 119.800 -0.186 0.000 2.255 68 Q HA 0.300 4.640 4.340 -0.001 0.000 0.280 68 Q C 0.129 176.155 176.000 0.043 0.000 1.068 68 Q CA 1.070 56.762 55.803 -0.185 0.000 0.911 68 Q CB 0.626 29.018 28.738 -0.578 0.000 1.157 68 Q HN 0.943 nan 8.270 nan 0.000 0.380 69 Q N 1.701 121.578 119.800 0.129 0.000 2.626 69 Q HA 0.377 4.717 4.340 -0.001 0.000 0.300 69 Q C -1.254 174.927 176.000 0.303 0.000 0.988 69 Q CA -1.055 54.906 55.803 0.262 0.000 0.761 69 Q CB 0.997 29.852 28.738 0.194 0.000 1.494 69 Q HN 0.452 nan 8.270 nan 0.000 0.439 70 Y N 0.842 121.336 120.300 0.324 0.000 2.359 70 Y HA 0.450 5.000 4.550 -0.001 0.000 0.330 70 Y C -1.125 174.956 175.900 0.301 0.000 1.143 70 Y CA -0.072 58.242 58.100 0.356 0.000 1.318 70 Y CB 1.082 39.856 38.460 0.522 0.000 1.234 70 Y HN 0.430 nan 8.280 nan 0.000 0.522 71 V N 6.333 125.919 119.914 -0.546 0.000 2.495 71 V HA 0.160 4.280 4.120 -0.001 0.000 0.298 71 V C -0.665 175.154 176.094 -0.459 0.000 1.031 71 V CA -1.057 61.052 62.300 -0.317 0.000 0.871 71 V CB 1.584 33.314 31.823 -0.155 0.000 0.988 71 V HN 0.771 nan 8.190 nan 0.000 0.432 72 D N 3.355 123.718 120.400 -0.061 0.000 2.348 72 D HA 0.183 4.823 4.640 -0.001 0.000 0.253 72 D C 0.381 176.743 176.300 0.104 0.000 1.161 72 D CA 0.266 54.340 54.000 0.123 0.000 0.876 72 D CB 1.060 42.069 40.800 0.348 0.000 1.160 72 D HN 0.679 nan 8.370 nan 0.000 0.459 73 E N 2.343 122.585 120.200 0.069 0.000 2.887 73 E HA -0.022 4.328 4.350 -0.001 0.000 0.206 73 E C 0.598 177.178 176.600 -0.032 0.000 0.983 73 E CA -0.111 56.309 56.400 0.034 0.000 1.141 73 E CB 0.706 30.400 29.700 -0.011 0.000 1.061 73 E HN 0.365 nan 8.360 nan 0.000 0.468 74 Q N -0.079 119.681 119.800 -0.067 0.000 2.224 74 Q HA -0.038 4.302 4.340 -0.001 0.000 0.203 74 Q C -0.334 175.164 176.000 -0.837 0.000 0.970 74 Q CA 1.311 56.809 55.803 -0.508 0.000 0.865 74 Q CB 0.245 28.538 28.738 -0.742 0.000 0.922 74 Q HN 0.129 nan 8.270 nan 0.000 0.445 75 F N 0.220 120.220 119.950 0.083 0.000 2.872 75 F HA 0.412 4.939 4.527 -0.001 0.000 0.365 75 F C -2.298 173.571 175.800 0.115 0.000 1.296 75 F CA -2.792 55.237 58.000 0.049 0.000 1.199 75 F CB 1.253 40.265 39.000 0.021 0.000 1.687 75 F HN -0.145 nan 8.300 nan 0.000 0.604 76 P HA 0.177 nan 4.420 nan 0.000 0.261 76 P C 1.022 178.411 177.300 0.147 0.000 1.183 76 P CA 1.445 64.624 63.100 0.131 0.000 0.761 76 P CB 0.816 32.555 31.700 0.065 0.000 0.785 77 G N 3.376 112.252 108.800 0.127 0.000 2.417 77 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.233 77 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.233 77 G C 0.209 175.181 174.900 0.120 0.000 1.103 77 G CA -0.331 44.826 45.100 0.095 0.000 0.647 77 G HN 0.543 nan 8.290 nan 0.000 0.512 78 F N 3.863 123.810 119.950 -0.006 0.000 2.549 78 F HA 0.331 4.858 4.527 -0.001 0.000 0.400 78 F C 1.926 177.667 175.800 -0.097 0.000 1.011 78 F CA 0.523 58.466 58.000 -0.096 0.000 1.148 78 F CB 0.682 39.612 39.000 -0.116 0.000 0.993 78 F HN 0.429 nan 8.300 nan 0.000 0.540 79 S N 3.445 118.834 115.700 -0.519 0.000 2.382 79 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 79 S C 2.328 176.595 174.600 -0.555 0.000 1.027 79 S CA 0.817 58.748 58.200 -0.447 0.000 0.991 79 S CB -1.215 61.742 63.200 -0.405 0.000 0.823 79 S HN 0.795 nan 8.310 nan 0.000 0.469 80 G N 1.645 109.701 108.800 -1.241 0.000 2.485 80 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.221 80 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.221 80 G C 1.645 176.723 174.900 0.297 0.000 1.115 80 G CA 1.386 45.946 45.100 -0.901 0.000 0.751 80 G HN 0.846 nan 8.290 nan 0.000 0.567 81 S N -1.085 114.825 115.700 0.350 0.000 2.524 81 S HA 0.211 4.681 4.470 -0.001 0.000 0.222 81 S C 1.685 176.592 174.600 0.511 0.000 1.040 81 S CA 0.495 59.206 58.200 0.852 0.000 0.915 81 S CB 0.272 64.118 63.200 1.076 0.000 0.831 81 S HN 0.419 nan 8.310 nan 0.000 0.492 82 E N 1.869 122.202 120.200 0.222 0.000 2.230 82 E HA 0.060 4.410 4.350 -0.001 0.000 0.192 82 E C 1.909 178.481 176.600 -0.046 0.000 0.987 82 E CA 0.976 57.437 56.400 0.101 0.000 0.841 82 E CB -0.307 29.419 29.700 0.044 0.000 0.783 82 E HN 0.819 nan 8.360 nan 0.000 0.481 83 M N -1.566 117.908 119.600 -0.209 0.000 2.706 83 M HA -0.060 4.420 4.480 -0.001 0.000 0.251 83 M C 0.741 176.651 176.300 -0.650 0.000 1.070 83 M CA 1.324 56.332 55.300 -0.486 0.000 1.073 83 M CB -0.310 31.877 32.600 -0.690 0.000 1.449 83 M HN 0.048 nan 8.290 nan 0.000 0.531 84 W N 0.370 121.624 121.300 -0.076 0.000 2.993 84 W HA 0.299 4.959 4.660 -0.001 0.000 0.290 84 W C 0.564 177.019 176.519 -0.108 0.000 1.203 84 W CA -0.867 56.403 57.345 -0.124 0.000 1.582 84 W CB -0.001 29.412 29.460 -0.079 0.000 1.033 84 W HN 0.074 nan 8.180 nan 0.000 0.594 85 N N 1.830 120.599 118.700 0.115 0.000 2.371 85 N HA 0.101 4.841 4.740 -0.001 0.000 0.243 85 N C -2.497 172.996 175.510 -0.029 0.000 1.287 85 N CA -0.898 52.184 53.050 0.054 0.000 0.911 85 N CB -0.298 38.221 38.487 0.053 0.000 1.142 85 N HN -0.348 nan 8.380 nan 0.000 0.451 86 P HA 0.089 nan 4.420 nan 0.000 0.271 86 P C 0.105 177.361 177.300 -0.074 0.000 1.220 86 P CA -0.146 62.907 63.100 -0.078 0.000 0.768 86 P CB 0.250 31.912 31.700 -0.063 0.000 0.848 87 N N 3.021 121.663 118.700 -0.097 0.000 2.279 87 N HA 0.090 4.830 4.740 -0.001 0.000 0.226 87 N C 0.004 175.478 175.510 -0.059 0.000 1.126 87 N CA -0.104 52.899 53.050 -0.078 0.000 0.846 87 N CB 0.233 38.664 38.487 -0.092 0.000 1.050 87 N HN 0.188 nan 8.380 nan 0.000 0.502 88 R N -0.315 120.148 120.500 -0.063 0.000 2.764 88 R HA 0.271 4.611 4.340 -0.001 0.000 0.270 88 R C -0.850 175.421 176.300 -0.047 0.000 1.014 88 R CA -0.762 55.309 56.100 -0.049 0.000 0.904 88 R CB 0.882 31.146 30.300 -0.059 0.000 1.236 88 R HN 0.093 nan 8.270 nan 0.000 0.466 89 E N 1.396 121.571 120.200 -0.042 0.000 2.529 89 E HA -0.018 4.331 4.350 -0.001 0.000 0.259 89 E C -0.273 176.298 176.600 -0.048 0.000 0.966 89 E CA 0.626 57.001 56.400 -0.042 0.000 0.937 89 E CB 0.421 30.096 29.700 -0.042 0.000 0.923 89 E HN 0.252 nan 8.360 nan 0.000 0.468 90 M N 2.601 122.172 119.600 -0.048 0.000 2.274 90 M HA 0.265 4.745 4.480 -0.001 0.000 0.344 90 M C -0.201 176.055 176.300 -0.073 0.000 1.161 90 M CA 0.021 55.286 55.300 -0.059 0.000 1.126 90 M CB 1.378 33.947 32.600 -0.050 0.000 1.522 90 M HN 0.470 nan 8.290 nan 0.000 0.461 91 S N 0.740 116.383 115.700 -0.095 0.000 2.543 91 S HA 0.211 4.681 4.470 -0.001 0.000 0.274 91 S C -0.008 174.497 174.600 -0.160 0.000 1.149 91 S CA -0.716 57.419 58.200 -0.109 0.000 0.866 91 S CB 1.457 64.620 63.200 -0.062 0.000 1.111 91 S HN 0.841 nan 8.310 nan 0.000 0.457 92 E N 0.893 120.968 120.200 -0.210 0.000 2.338 92 E HA -0.084 4.266 4.350 -0.001 0.000 0.197 92 E C -0.320 176.183 176.600 -0.160 0.000 1.007 92 E CA 0.624 56.864 56.400 -0.268 0.000 0.849 92 E CB 0.087 29.611 29.700 -0.293 0.000 0.774 92 E HN 0.553 nan 8.360 nan 0.000 0.506 93 D N -0.646 119.703 120.400 -0.085 0.000 2.563 93 D HA 0.069 4.708 4.640 -0.001 0.000 0.222 93 D C 0.302 176.658 176.300 0.095 0.000 1.145 93 D CA -0.093 53.895 54.000 -0.020 0.000 1.001 93 D CB 0.000 40.822 40.800 0.035 0.000 1.049 93 D HN 0.241 nan 8.370 nan 0.000 0.515 94 C N 3.555 122.855 119.300 0.001 0.000 3.188 94 C HA 0.334 4.794 4.460 -0.001 0.000 0.315 94 C C 1.254 176.251 174.990 0.012 0.000 1.285 94 C CA -0.310 58.757 59.018 0.081 0.000 1.729 94 C CB -0.590 27.153 27.740 0.005 0.000 2.257 94 C HN 0.526 nan 8.230 nan 0.000 0.645 95 L N 2.103 123.098 121.223 -0.380 0.000 2.505 95 L HA 0.274 4.614 4.340 -0.001 0.000 0.275 95 L C -0.934 175.164 176.870 -1.287 0.000 1.264 95 L CA 0.479 54.863 54.840 -0.759 0.000 1.148 95 L CB -1.387 40.105 42.059 -0.945 0.000 1.377 95 L HN 0.481 nan 8.230 nan 0.000 0.442 96 Y N 1.852 121.962 120.300 -0.316 0.000 2.605 96 Y HA 0.699 5.248 4.550 -0.000 0.000 0.343 96 Y C -0.094 175.906 175.900 0.165 0.000 1.036 96 Y CA -1.366 56.627 58.100 -0.178 0.000 1.065 96 Y CB 1.838 40.228 38.460 -0.116 0.000 1.288 96 Y HN 0.177 nan 8.280 nan 0.000 0.481 97 L N -0.223 121.165 121.223 0.275 0.000 2.350 97 L HA 0.763 5.102 4.340 -0.001 0.000 0.260 97 L C -1.347 175.579 176.870 0.094 0.000 1.015 97 L CA -1.183 53.780 54.840 0.206 0.000 0.821 97 L CB 1.865 43.996 42.059 0.121 0.000 1.370 97 L HN 0.477 nan 8.230 nan 0.000 0.416 98 N N 1.859 120.610 118.700 0.085 0.000 2.284 98 N HA 0.686 5.426 4.740 -0.001 0.000 0.300 98 N C -1.291 174.123 175.510 -0.160 0.000 1.047 98 N CA -0.217 52.783 53.050 -0.085 0.000 0.821 98 N CB 2.708 41.129 38.487 -0.110 0.000 1.337 98 N HN 0.648 nan 8.380 nan 0.000 0.482 99 I N 0.705 121.108 120.570 -0.279 0.000 2.466 99 I HA 0.361 4.531 4.170 -0.001 0.000 0.289 99 I C -0.703 175.331 176.117 -0.138 0.000 1.026 99 I CA -0.697 60.520 61.300 -0.139 0.000 1.078 99 I CB 2.115 39.961 38.000 -0.258 0.000 1.249 99 I HN 0.264 nan 8.210 nan 0.000 0.429 100 W N 6.322 127.752 121.300 0.215 0.000 2.294 100 W HA 0.525 5.185 4.660 -0.001 0.000 0.314 100 W C -0.938 175.718 176.519 0.228 0.000 1.044 100 W CA -0.563 56.912 57.345 0.217 0.000 1.284 100 W CB 1.962 31.524 29.460 0.171 0.000 1.231 100 W HN 0.099 nan 8.180 nan 0.000 0.419 101 V N 5.660 125.838 119.914 0.440 0.000 2.459 101 V HA 0.313 4.433 4.120 -0.001 0.000 0.295 101 V C -1.892 174.398 176.094 0.327 0.000 1.029 101 V CA -2.324 60.203 62.300 0.379 0.000 0.874 101 V CB 1.834 33.928 31.823 0.452 0.000 0.985 101 V HN 0.240 nan 8.190 nan 0.000 0.438 102 P HA 0.130 nan 4.420 nan 0.000 0.271 102 P C -0.630 176.798 177.300 0.213 0.000 1.238 102 P CA 0.081 63.316 63.100 0.226 0.000 0.794 102 P CB 0.496 32.293 31.700 0.162 0.000 0.959 103 S N 0.517 116.337 115.700 0.199 0.000 2.614 103 S HA 0.527 4.996 4.470 -0.001 0.000 0.288 103 S C -2.582 172.104 174.600 0.143 0.000 1.137 103 S CA -1.385 56.918 58.200 0.170 0.000 0.992 103 S CB 0.177 63.484 63.200 0.177 0.000 1.026 103 S HN 0.254 nan 8.310 nan 0.000 0.486 104 P HA 0.207 nan 4.420 nan 0.000 0.272 104 P C -0.477 176.893 177.300 0.117 0.000 1.223 104 P CA -0.597 62.567 63.100 0.106 0.000 0.784 104 P CB 0.421 32.169 31.700 0.081 0.000 0.923 105 R N 2.351 122.928 120.500 0.128 0.000 2.504 105 R HA 0.084 4.424 4.340 -0.001 0.000 0.291 105 R C -1.920 174.443 176.300 0.105 0.000 0.974 105 R CA -0.810 55.374 56.100 0.141 0.000 1.077 105 R CB -0.460 29.926 30.300 0.144 0.000 0.926 105 R HN 0.363 nan 8.270 nan 0.000 0.407 106 P HA 0.079 nan 4.420 nan 0.000 0.272 106 P C -0.261 177.072 177.300 0.056 0.000 1.240 106 P CA -0.408 62.737 63.100 0.074 0.000 0.791 106 P CB 0.729 32.475 31.700 0.077 0.000 0.978 107 K N -0.427 119.993 120.400 0.034 0.000 2.168 107 K HA 0.135 4.455 4.320 -0.001 0.000 0.201 107 K C 0.615 177.213 176.600 -0.002 0.000 1.049 107 K CA 0.994 57.290 56.287 0.016 0.000 0.974 107 K CB -0.243 32.263 32.500 0.009 0.000 0.792 107 K HN 0.333 nan 8.250 nan 0.000 0.463 108 S N 0.984 116.684 115.700 -0.000 0.000 2.680 108 S HA 0.129 4.598 4.470 -0.001 0.000 0.140 108 S C -0.831 173.766 174.600 -0.005 0.000 1.357 108 S CA -0.347 57.843 58.200 -0.016 0.000 1.201 108 S CB 0.236 63.416 63.200 -0.033 0.000 1.547 108 S HN 0.156 nan 8.310 nan 0.000 0.411 109 T N 1.650 116.212 114.554 0.014 0.000 2.897 109 T HA 0.542 4.892 4.350 -0.001 0.000 0.278 109 T C 0.288 174.997 174.700 0.016 0.000 0.981 109 T CA 0.033 62.144 62.100 0.018 0.000 0.973 109 T CB 0.967 69.858 68.868 0.038 0.000 1.092 109 T HN 0.427 nan 8.240 nan 0.000 0.543 110 T N 2.168 116.729 114.554 0.011 0.000 2.916 110 T HA 0.369 4.719 4.350 -0.001 0.000 0.303 110 T C -0.293 174.429 174.700 0.037 0.000 1.025 110 T CA -0.346 61.758 62.100 0.008 0.000 1.142 110 T CB 0.437 69.297 68.868 -0.013 0.000 0.947 110 T HN 0.403 nan 8.240 nan 0.000 0.544 111 V N 4.801 124.743 119.914 0.046 0.000 2.547 111 V HA 0.521 4.641 4.120 -0.001 0.000 0.299 111 V C 0.010 176.171 176.094 0.111 0.000 1.040 111 V CA -0.759 61.593 62.300 0.086 0.000 0.913 111 V CB 1.661 33.534 31.823 0.083 0.000 0.992 111 V HN 0.833 nan 8.190 nan 0.000 0.449 112 M N 4.198 123.901 119.600 0.171 0.000 2.204 112 M HA 0.501 4.981 4.480 -0.001 0.000 0.293 112 M C -1.379 175.168 176.300 0.411 0.000 0.994 112 M CA -0.557 54.893 55.300 0.250 0.000 0.925 112 M CB 2.169 34.862 32.600 0.155 0.000 1.577 112 M HN 0.357 nan 8.290 nan 0.000 0.439 113 V N 3.464 123.629 119.914 0.419 0.000 2.370 113 V HA 0.353 4.473 4.120 -0.001 0.000 0.283 113 V C -0.753 175.557 176.094 0.360 0.000 1.023 113 V CA -0.544 61.962 62.300 0.344 0.000 0.857 113 V CB 1.441 33.361 31.823 0.162 0.000 0.985 113 V HN 0.851 nan 8.190 nan 0.000 0.443 114 W N 7.257 128.585 121.300 0.048 0.000 2.390 114 W HA 0.637 5.297 4.660 -0.000 0.000 0.312 114 W C -1.417 174.966 176.519 -0.227 0.000 1.123 114 W CA -0.890 56.233 57.345 -0.370 0.000 1.202 114 W CB 1.307 30.569 29.460 -0.329 0.000 1.251 114 W HN 0.434 nan 8.180 nan 0.000 0.511 115 I N 9.184 129.123 120.570 -1.053 0.000 2.354 115 I HA 0.078 4.247 4.170 -0.001 0.000 0.286 115 I C -0.156 175.158 176.117 -1.339 0.000 1.007 115 I CA -1.140 59.607 61.300 -0.921 0.000 1.167 115 I CB 0.623 38.267 38.000 -0.594 0.000 1.320 115 I HN 0.311 nan 8.210 nan 0.000 0.458 116 Y N 4.696 124.474 120.300 -0.871 0.000 2.457 116 Y HA 0.632 5.182 4.550 -0.000 0.000 0.341 116 Y C 0.699 176.410 175.900 -0.314 0.000 1.240 116 Y CA -0.852 56.854 58.100 -0.656 0.000 1.437 116 Y CB -0.062 38.256 38.460 -0.236 0.000 1.328 116 Y HN 0.524 nan 8.280 nan 0.000 0.588 117 G N -0.857 107.950 108.800 0.012 0.000 2.642 117 G HA2 0.514 4.474 3.960 -0.001 0.000 0.291 117 G HA3 0.514 4.474 3.960 -0.001 0.000 0.291 117 G C 0.195 175.067 174.900 -0.047 0.000 1.345 117 G CA -0.944 44.109 45.100 -0.079 0.000 1.043 117 G HN 1.659 nan 8.290 nan 0.000 0.528 118 G N -2.791 105.831 108.800 -0.296 0.000 3.034 118 G HA2 0.431 4.391 3.960 -0.001 0.000 0.222 118 G HA3 0.431 4.391 3.960 -0.001 0.000 0.222 118 G C 0.950 175.345 174.900 -0.841 0.000 0.980 118 G CA 0.790 45.589 45.100 -0.502 0.000 1.008 118 G HN 2.286 nan 8.290 nan 0.000 0.632 119 G N -0.288 108.059 108.800 -0.755 0.000 2.187 119 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.261 119 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.261 119 G C 0.895 175.601 174.900 -0.323 0.000 1.000 119 G CA 0.623 45.175 45.100 -0.914 0.000 0.718 119 G HN 1.645 nan 8.290 nan 0.000 0.519 120 F N -3.210 116.659 119.950 -0.136 0.000 2.935 120 F HA -0.308 4.219 4.527 -0.000 0.000 0.317 120 F C 1.428 177.312 175.800 0.140 0.000 0.699 120 F CA 2.182 60.196 58.000 0.023 0.000 1.127 120 F CB -2.060 36.794 39.000 -0.244 0.000 1.491 120 F HN 0.986 nan 8.300 nan 0.000 0.337 121 Y N -1.083 119.287 120.300 0.116 0.000 2.527 121 Y HA 0.669 5.218 4.550 -0.001 0.000 0.247 121 Y C 0.455 176.457 175.900 0.169 0.000 1.138 121 Y CA 0.101 58.289 58.100 0.146 0.000 1.228 121 Y CB -0.001 38.459 38.460 -0.000 0.000 1.252 121 Y HN 0.102 nan 8.280 nan 0.000 0.531 122 S N -0.909 114.631 115.700 -0.266 0.000 2.636 122 S HA 0.849 5.319 4.470 -0.001 0.000 0.268 122 S C -0.320 174.157 174.600 -0.205 0.000 1.159 122 S CA -0.512 57.578 58.200 -0.185 0.000 0.815 122 S CB 1.341 64.364 63.200 -0.296 0.000 1.130 122 S HN 1.351 nan 8.310 nan 0.000 0.471 123 G N -0.113 108.534 108.800 -0.255 0.000 2.535 123 G HA2 0.433 4.393 3.960 -0.001 0.000 0.662 123 G HA3 0.433 4.393 3.960 -0.001 0.000 0.662 123 G C -1.043 173.236 174.900 -1.037 0.000 1.417 123 G CA -0.335 44.432 45.100 -0.555 0.000 0.866 123 G HN 1.312 nan 8.290 nan 0.000 0.647 124 S N -0.618 114.484 115.700 -0.996 0.000 2.569 124 S HA 0.739 5.209 4.470 -0.001 0.000 0.280 124 S C 1.034 175.392 174.600 -0.403 0.000 1.111 124 S CA 0.017 57.811 58.200 -0.676 0.000 0.887 124 S CB 1.872 64.891 63.200 -0.301 0.000 1.095 124 S HN 1.893 nan 8.310 nan 0.000 0.476 125 S N -0.307 115.368 115.700 -0.043 0.000 2.528 125 S HA -0.042 4.427 4.470 -0.001 0.000 0.219 125 S C 1.321 175.996 174.600 0.125 0.000 0.985 125 S CA 0.722 59.100 58.200 0.297 0.000 0.914 125 S CB -0.627 62.805 63.200 0.386 0.000 0.776 125 S HN 0.831 nan 8.310 nan 0.000 0.526 126 T N 0.500 114.932 114.554 -0.204 0.000 3.188 126 T HA 0.414 4.763 4.350 -0.001 0.000 0.250 126 T C 0.536 174.994 174.700 -0.404 0.000 1.077 126 T CA -0.526 61.163 62.100 -0.686 0.000 0.967 126 T CB -0.608 67.706 68.868 -0.924 0.000 1.006 126 T HN 0.304 nan 8.240 nan 0.000 0.552 127 L N 1.376 122.467 121.223 -0.221 0.000 2.476 127 L HA 0.226 4.565 4.340 -0.001 0.000 0.264 127 L C 1.417 178.108 176.870 -0.299 0.000 1.224 127 L CA -0.639 54.001 54.840 -0.333 0.000 0.821 127 L CB 0.337 42.034 42.059 -0.603 0.000 1.101 127 L HN 0.044 nan 8.230 nan 0.000 0.488 128 D N 0.497 120.707 120.400 -0.317 0.000 2.117 128 D HA -0.122 4.518 4.640 -0.001 0.000 0.198 128 D C 2.011 178.116 176.300 -0.325 0.000 0.982 128 D CA 1.256 55.120 54.000 -0.226 0.000 0.828 128 D CB -0.093 40.583 40.800 -0.206 0.000 0.967 128 D HN 0.479 nan 8.370 nan 0.000 0.464 129 V N -0.821 118.752 119.914 -0.567 0.000 3.026 129 V HA -0.183 3.937 4.120 -0.001 0.000 0.265 129 V C 1.130 176.752 176.094 -0.786 0.000 1.121 129 V CA 1.110 63.028 62.300 -0.637 0.000 1.142 129 V CB -1.205 30.127 31.823 -0.819 0.000 0.730 129 V HN 0.082 nan 8.190 nan 0.000 0.503 130 Y N 0.109 119.982 120.300 -0.711 0.000 2.658 130 Y HA 0.440 4.989 4.550 -0.000 0.000 0.276 130 Y C 1.000 176.543 175.900 -0.596 0.000 1.167 130 Y CA -1.812 55.630 58.100 -1.097 0.000 1.230 130 Y CB -0.928 37.230 38.460 -0.504 0.000 1.144 130 Y HN 0.246 nan 8.280 nan 0.000 0.529 131 N N 1.305 119.853 118.700 -0.254 0.000 2.406 131 N HA 0.008 4.748 4.740 -0.001 0.000 0.265 131 N C 1.379 176.590 175.510 -0.498 0.000 1.203 131 N CA 0.506 53.381 53.050 -0.292 0.000 0.945 131 N CB 1.200 39.590 38.487 -0.162 0.000 1.165 131 N HN 0.501 nan 8.380 nan 0.000 0.485 132 G N 3.527 111.512 108.800 -1.357 0.000 2.509 132 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 132 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 132 G C 1.472 175.843 174.900 -0.881 0.000 1.124 132 G CA 0.746 45.263 45.100 -0.973 0.000 0.776 132 G HN 0.752 nan 8.290 nan 0.000 0.547 133 K N -0.407 119.212 120.400 -1.302 0.000 2.074 133 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 133 K C 1.945 178.361 176.600 -0.308 0.000 1.048 133 K CA 1.486 57.391 56.287 -0.636 0.000 0.926 133 K CB -0.644 31.529 32.500 -0.545 0.000 0.713 133 K HN 0.309 nan 8.250 nan 0.000 0.444 134 Y N 1.130 121.346 120.300 -0.140 0.000 2.145 134 Y HA -0.161 4.389 4.550 -0.001 0.000 0.286 134 Y C 2.397 178.300 175.900 0.006 0.000 1.145 134 Y CA 1.016 59.094 58.100 -0.036 0.000 1.148 134 Y CB -0.678 37.741 38.460 -0.067 0.000 0.981 134 Y HN 0.070 nan 8.280 nan 0.000 0.507 135 L N 0.042 121.313 121.223 0.080 0.000 2.072 135 L HA -0.026 4.314 4.340 -0.001 0.000 0.205 135 L C 2.373 179.263 176.870 0.032 0.000 1.079 135 L CA 1.840 56.678 54.840 -0.005 0.000 0.752 135 L CB -1.231 40.731 42.059 -0.162 0.000 0.906 135 L HN 0.128 nan 8.230 nan 0.000 0.436 136 A N -1.110 121.745 122.820 0.057 0.000 1.865 136 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 136 A C 2.315 179.984 177.584 0.142 0.000 1.191 136 A CA 2.090 54.205 52.037 0.130 0.000 0.623 136 A CB -1.335 17.800 19.000 0.225 0.000 0.826 136 A HN 0.615 nan 8.150 nan 0.000 0.444 137 Y N 1.153 121.477 120.300 0.041 0.000 2.049 137 Y HA -0.219 4.331 4.550 -0.001 0.000 0.277 137 Y C 2.743 178.669 175.900 0.043 0.000 1.143 137 Y CA 2.566 60.693 58.100 0.045 0.000 1.115 137 Y CB -0.936 37.538 38.460 0.024 0.000 0.975 137 Y HN 0.303 nan 8.280 nan 0.000 0.487 138 T N 0.376 114.929 114.554 -0.002 0.000 2.803 138 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 138 T C 1.340 175.984 174.700 -0.094 0.000 1.052 138 T CA 1.740 63.782 62.100 -0.097 0.000 1.136 138 T CB -0.117 68.778 68.868 0.045 0.000 0.864 138 T HN 0.347 nan 8.240 nan 0.000 0.467 139 E N 0.356 120.534 120.200 -0.038 0.000 2.498 139 E HA 0.111 4.460 4.350 -0.001 0.000 0.203 139 E C 0.043 176.634 176.600 -0.014 0.000 1.013 139 E CA 0.047 56.441 56.400 -0.009 0.000 0.927 139 E CB 0.268 29.972 29.700 0.006 0.000 1.012 139 E HN 0.599 nan 8.360 nan 0.000 0.482 140 E N 0.129 120.313 120.200 -0.026 0.000 2.246 140 E HA -0.155 4.194 4.350 -0.001 0.000 0.211 140 E C -0.263 176.359 176.600 0.037 0.000 1.278 140 E CA 0.438 56.838 56.400 0.001 0.000 0.694 140 E CB -1.993 27.697 29.700 -0.017 0.000 1.166 140 E HN 0.125 nan 8.360 nan 0.000 0.370 141 V N -3.573 116.379 119.914 0.064 0.000 3.040 141 V HA 0.693 4.812 4.120 -0.001 0.000 0.312 141 V C 0.288 176.462 176.094 0.133 0.000 1.115 141 V CA -1.162 61.184 62.300 0.076 0.000 0.998 141 V CB 2.339 34.192 31.823 0.050 0.000 1.042 141 V HN -0.005 nan 8.190 nan 0.000 0.433 142 V N 4.250 124.249 119.914 0.142 0.000 2.432 142 V HA 0.309 4.429 4.120 -0.001 0.000 0.271 142 V C -0.008 176.220 176.094 0.222 0.000 1.046 142 V CA -0.292 62.122 62.300 0.191 0.000 0.945 142 V CB 1.110 33.028 31.823 0.158 0.000 0.992 142 V HN 0.748 nan 8.190 nan 0.000 0.471 143 L N 7.510 128.923 121.223 0.317 0.000 2.280 143 L HA 0.570 4.910 4.340 -0.001 0.000 0.287 143 L C -0.413 176.745 176.870 0.479 0.000 1.023 143 L CA 0.061 55.140 54.840 0.398 0.000 0.819 143 L CB 1.669 43.975 42.059 0.412 0.000 1.212 143 L HN 0.401 nan 8.230 nan 0.000 0.420 144 V N 3.752 123.907 119.914 0.401 0.000 2.581 144 V HA 0.531 4.651 4.120 -0.001 0.000 0.303 144 V C 0.105 176.454 176.094 0.426 0.000 1.041 144 V CA -0.564 61.936 62.300 0.333 0.000 0.907 144 V CB 1.906 33.851 31.823 0.203 0.000 0.994 144 V HN 0.851 nan 8.190 nan 0.000 0.442 145 S N 4.936 120.885 115.700 0.414 0.000 2.756 145 S HA 0.708 5.178 4.470 -0.001 0.000 0.303 145 S C -0.841 173.951 174.600 0.319 0.000 1.135 145 S CA -0.673 57.811 58.200 0.473 0.000 1.066 145 S CB 0.686 64.300 63.200 0.689 0.000 1.008 145 S HN 0.643 nan 8.310 nan 0.000 0.482 146 L N 3.066 124.419 121.223 0.217 0.000 2.440 146 L HA 1.000 5.339 4.340 -0.001 0.000 0.262 146 L C 0.103 177.132 176.870 0.267 0.000 1.072 146 L CA -0.638 54.308 54.840 0.177 0.000 0.798 146 L CB 0.584 42.625 42.059 -0.030 0.000 1.307 146 L HN 0.648 nan 8.230 nan 0.000 0.475 147 S N -1.378 114.539 115.700 0.362 0.000 2.595 147 S HA 0.883 5.353 4.470 -0.001 0.000 0.281 147 S C -1.204 173.646 174.600 0.416 0.000 1.117 147 S CA -0.567 57.872 58.200 0.398 0.000 0.873 147 S CB 1.499 64.948 63.200 0.415 0.000 1.108 147 S HN 1.081 nan 8.310 nan 0.000 0.477 148 Y N -1.285 119.133 120.300 0.197 0.000 2.625 148 Y HA 0.727 5.277 4.550 -0.000 0.000 0.338 148 Y C -0.632 175.387 175.900 0.198 0.000 1.123 148 Y CA -1.483 56.715 58.100 0.164 0.000 1.046 148 Y CB 0.723 39.228 38.460 0.075 0.000 1.299 148 Y HN 0.750 nan 8.280 nan 0.000 0.464 149 R N 1.580 122.215 120.500 0.225 0.000 2.543 149 R HA 0.564 4.903 4.340 -0.001 0.000 0.277 149 R C -0.274 176.187 176.300 0.268 0.000 1.074 149 R CA -0.394 55.793 56.100 0.145 0.000 1.076 149 R CB 1.144 31.493 30.300 0.082 0.000 0.993 149 R HN 0.710 nan 8.270 nan 0.000 0.459 150 V N -0.324 119.776 119.914 0.309 0.000 3.204 150 V HA 0.888 5.008 4.120 -0.001 0.000 0.316 150 V C 0.712 177.129 176.094 0.538 0.000 1.160 150 V CA -0.095 62.518 62.300 0.521 0.000 1.044 150 V CB 1.130 33.167 31.823 0.355 0.000 1.136 150 V HN 0.963 nan 8.190 nan 0.000 0.455 151 G N 0.373 109.528 108.800 0.591 0.000 2.598 151 G HA2 0.009 3.968 3.960 -0.001 0.000 0.269 151 G HA3 0.009 3.968 3.960 -0.001 0.000 0.269 151 G C 1.043 176.112 174.900 0.281 0.000 1.289 151 G CA 1.105 46.480 45.100 0.457 0.000 0.926 151 G HN 2.253 nan 8.290 nan 0.000 0.567 152 A N -1.411 121.292 122.820 -0.196 0.000 1.948 152 A HA 0.114 4.434 4.320 -0.001 0.000 0.220 152 A C 2.248 179.718 177.584 -0.190 0.000 1.177 152 A CA 2.710 54.317 52.037 -0.717 0.000 0.636 152 A CB -0.553 17.823 19.000 -1.041 0.000 0.815 152 A HN 1.024 nan 8.150 nan 0.000 0.449 153 F N -0.098 119.918 119.950 0.109 0.000 2.236 153 F HA -0.047 4.480 4.527 -0.001 0.000 0.302 153 F C 2.337 178.150 175.800 0.020 0.000 1.073 153 F CA 1.221 59.255 58.000 0.057 0.000 1.336 153 F CB -0.538 38.450 39.000 -0.020 0.000 1.040 153 F HN 0.305 nan 8.300 nan 0.000 0.507 154 G N -3.100 105.776 108.800 0.128 0.000 3.079 154 G HA2 0.134 4.093 3.960 -0.001 0.000 0.233 154 G HA3 0.134 4.093 3.960 -0.001 0.000 0.233 154 G C 0.612 175.025 174.900 -0.812 0.000 1.062 154 G CA 0.027 44.958 45.100 -0.282 0.000 0.809 154 G HN 0.300 nan 8.290 nan 0.000 0.535 155 F N -0.338 119.688 119.950 0.127 0.000 2.899 155 F HA 0.433 4.960 4.527 -0.001 0.000 0.337 155 F C 0.343 176.183 175.800 0.067 0.000 1.129 155 F CA -0.959 57.094 58.000 0.088 0.000 1.128 155 F CB 0.488 39.557 39.000 0.115 0.000 1.154 155 F HN -0.076 nan 8.300 nan 0.000 0.531 156 L N 2.176 123.409 121.223 0.016 0.000 2.525 156 L HA 0.462 4.801 4.340 -0.001 0.000 0.278 156 L C 0.131 176.975 176.870 -0.044 0.000 1.218 156 L CA 0.189 54.935 54.840 -0.157 0.000 0.878 156 L CB 0.365 42.067 42.059 -0.596 0.000 1.127 156 L HN 0.162 nan 8.230 nan 0.000 0.492 157 A N 6.795 129.622 122.820 0.011 0.000 2.499 157 A HA 0.578 4.897 4.320 -0.001 0.000 0.280 157 A C -0.980 176.619 177.584 0.026 0.000 1.135 157 A CA -0.478 51.579 52.037 0.033 0.000 0.744 157 A CB 0.538 19.589 19.000 0.086 0.000 1.213 157 A HN 0.662 nan 8.150 nan 0.000 0.434 158 L N 3.732 124.960 121.223 0.008 0.000 2.504 158 L HA 0.262 4.602 4.340 -0.001 0.000 0.249 158 L C 0.314 177.220 176.870 0.061 0.000 1.120 158 L CA -0.819 54.031 54.840 0.017 0.000 0.997 158 L CB 0.139 42.180 42.059 -0.030 0.000 1.349 158 L HN 0.893 nan 8.230 nan 0.000 0.439 159 H N 1.792 120.862 119.070 0.000 0.000 3.058 159 H HA 0.119 4.674 4.556 -0.001 0.000 0.347 159 H C 1.323 176.656 175.328 0.008 0.000 1.087 159 H CA 1.681 57.736 56.048 0.011 0.000 1.375 159 H CB 0.859 30.630 29.762 0.016 0.000 1.312 159 H HN 0.683 nan 8.280 nan 0.000 0.607 160 G N 2.127 110.579 108.800 -0.580 0.000 2.253 160 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.251 160 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.251 160 G C 0.415 175.216 174.900 -0.165 0.000 0.998 160 G CA 0.574 45.467 45.100 -0.345 0.000 0.621 160 G HN 0.929 nan 8.290 nan 0.000 0.524 161 S N -0.196 115.439 115.700 -0.108 0.000 2.525 161 S HA 0.627 5.097 4.470 -0.001 0.000 0.290 161 S C 0.930 175.507 174.600 -0.038 0.000 1.152 161 S CA -0.117 58.052 58.200 -0.052 0.000 1.072 161 S CB 1.577 64.762 63.200 -0.025 0.000 1.027 161 S HN 0.163 nan 8.310 nan 0.000 0.500 162 Q N 1.912 121.702 119.800 -0.018 0.000 2.360 162 Q HA 0.203 4.543 4.340 -0.001 0.000 0.202 162 Q C 0.664 176.677 176.000 0.021 0.000 0.915 162 Q CA 0.232 56.034 55.803 -0.002 0.000 0.943 162 Q CB 0.214 28.951 28.738 -0.001 0.000 1.064 162 Q HN 0.673 nan 8.270 nan 0.000 0.511 163 E N 0.269 120.485 120.200 0.027 0.000 2.318 163 E HA 0.128 4.478 4.350 -0.001 0.000 0.193 163 E C 0.085 176.734 176.600 0.082 0.000 0.998 163 E CA 0.345 56.779 56.400 0.056 0.000 0.859 163 E CB 0.670 30.406 29.700 0.060 0.000 0.812 163 E HN 0.143 nan 8.360 nan 0.000 0.492 164 A N 1.349 124.196 122.820 0.045 0.000 3.399 164 A HA 0.268 4.587 4.320 -0.001 0.000 0.262 164 A C -2.063 175.533 177.584 0.020 0.000 1.145 164 A CA -0.777 51.282 52.037 0.036 0.000 0.916 164 A CB 0.574 19.533 19.000 -0.069 0.000 1.360 164 A HN -0.124 nan 8.150 nan 0.000 0.628 165 P HA 0.085 nan 4.420 nan 0.000 0.218 165 P C 0.940 178.289 177.300 0.082 0.000 1.149 165 P CA 2.128 65.258 63.100 0.051 0.000 0.817 165 P CB 0.213 31.941 31.700 0.047 0.000 0.785 166 G N -0.321 108.511 108.800 0.053 0.000 2.497 166 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.686 166 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.686 166 G C -0.264 174.642 174.900 0.010 0.000 1.288 166 G CA -0.273 44.860 45.100 0.054 0.000 0.899 166 G HN 0.104 nan 8.290 nan 0.000 0.608 167 N N -2.222 116.473 118.700 -0.007 0.000 2.690 167 N HA -0.289 4.451 4.740 -0.001 0.000 0.249 167 N C 1.973 177.355 175.510 -0.214 0.000 1.125 167 N CA 2.383 55.351 53.050 -0.136 0.000 0.794 167 N CB -1.591 36.738 38.487 -0.263 0.000 1.152 167 N HN 1.915 nan 8.380 nan 0.000 0.571 168 V N -2.624 117.176 119.914 -0.191 0.000 2.720 168 V HA -0.004 4.115 4.120 -0.001 0.000 0.256 168 V C 2.212 178.189 176.094 -0.196 0.000 1.082 168 V CA 2.236 64.458 62.300 -0.130 0.000 1.101 168 V CB -0.792 30.992 31.823 -0.065 0.000 0.693 168 V HN 0.288 nan 8.190 nan 0.000 0.479 169 G N 0.190 108.691 108.800 -0.498 0.000 2.421 169 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.217 169 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.217 169 G C 1.494 176.340 174.900 -0.090 0.000 1.143 169 G CA 0.912 45.769 45.100 -0.405 0.000 0.784 169 G HN 0.538 nan 8.290 nan 0.000 0.541 170 L N -0.077 121.057 121.223 -0.147 0.000 2.179 170 L HA 0.174 4.514 4.340 -0.001 0.000 0.208 170 L C 2.725 179.671 176.870 0.127 0.000 1.096 170 L CA 0.162 54.932 54.840 -0.115 0.000 0.779 170 L CB -0.219 41.446 42.059 -0.657 0.000 0.922 170 L HN 0.163 nan 8.230 nan 0.000 0.443 171 L N -0.545 120.742 121.223 0.105 0.000 2.093 171 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 171 L C 2.157 179.113 176.870 0.144 0.000 1.085 171 L CA 0.914 55.867 54.840 0.189 0.000 0.755 171 L CB -0.602 41.537 42.059 0.133 0.000 0.904 171 L HN 0.281 nan 8.230 nan 0.000 0.435 172 D N 0.138 120.614 120.400 0.127 0.000 2.104 172 D HA -0.215 4.424 4.640 -0.001 0.000 0.194 172 D C 2.287 178.661 176.300 0.124 0.000 0.994 172 D CA 1.323 55.449 54.000 0.209 0.000 0.830 172 D CB -0.122 40.830 40.800 0.254 0.000 0.959 172 D HN 0.384 nan 8.370 nan 0.000 0.452 173 Q N 0.000 119.837 119.800 0.061 0.000 2.084 173 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 173 Q C 2.271 178.182 176.000 -0.148 0.000 0.978 173 Q CA 0.966 56.726 55.803 -0.072 0.000 0.844 173 Q CB -0.041 28.673 28.738 -0.039 0.000 0.898 173 Q HN 0.178 nan 8.270 nan 0.000 0.426 174 R N 0.348 120.838 120.500 -0.016 0.000 2.120 174 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 174 R C 2.157 178.417 176.300 -0.068 0.000 1.123 174 R CA 1.358 57.423 56.100 -0.059 0.000 0.975 174 R CB -0.088 30.265 30.300 0.088 0.000 0.866 174 R HN 0.237 nan 8.270 nan 0.000 0.446 175 M N 0.289 119.866 119.600 -0.039 0.000 2.086 175 M HA -0.086 4.394 4.480 -0.001 0.000 0.261 175 M C 2.126 178.307 176.300 -0.199 0.000 1.067 175 M CA 2.135 57.430 55.300 -0.007 0.000 1.116 175 M CB -0.173 32.528 32.600 0.168 0.000 1.348 175 M HN 0.223 nan 8.290 nan 0.000 0.407 176 A N 0.082 122.500 122.820 -0.669 0.000 1.908 176 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 176 A C 2.132 179.566 177.584 -0.251 0.000 1.181 176 A CA 1.864 53.363 52.037 -0.896 0.000 0.627 176 A CB -1.231 17.104 19.000 -1.108 0.000 0.818 176 A HN 0.599 nan 8.150 nan 0.000 0.445 177 L N -1.208 119.904 121.223 -0.184 0.000 2.141 177 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 177 L C 2.817 179.718 176.870 0.051 0.000 1.094 177 L CA 1.562 56.369 54.840 -0.055 0.000 0.763 177 L CB -0.376 41.614 42.059 -0.115 0.000 0.908 177 L HN 0.485 nan 8.230 nan 0.000 0.437 178 Q N -0.513 119.312 119.800 0.041 0.000 2.119 178 Q HA -0.247 4.093 4.340 -0.001 0.000 0.201 178 Q C 1.973 178.084 176.000 0.186 0.000 0.972 178 Q CA 1.819 57.674 55.803 0.086 0.000 0.847 178 Q CB -0.385 28.393 28.738 0.066 0.000 0.903 178 Q HN 0.473 nan 8.270 nan 0.000 0.433 179 W N -0.799 120.511 121.300 0.017 0.000 2.379 179 W HA -0.120 4.539 4.660 -0.001 0.000 0.307 179 W C 1.876 178.439 176.519 0.074 0.000 1.200 179 W CA 1.545 58.928 57.345 0.063 0.000 1.297 179 W CB -0.184 29.314 29.460 0.064 0.000 1.140 179 W HN -0.019 nan 8.180 nan 0.000 0.507 180 V N 0.018 120.132 119.914 0.332 0.000 2.392 180 V HA -0.370 3.750 4.120 -0.001 0.000 0.249 180 V C 2.473 178.608 176.094 0.069 0.000 1.059 180 V CA 2.311 64.729 62.300 0.197 0.000 1.051 180 V CB -1.209 30.712 31.823 0.163 0.000 0.658 180 V HN 0.349 nan 8.190 nan 0.000 0.455 181 H N 0.162 119.235 119.070 0.004 0.000 2.389 181 H HA -0.116 4.440 4.556 -0.001 0.000 0.299 181 H C 1.702 176.974 175.328 -0.093 0.000 1.081 181 H CA 1.709 57.737 56.048 -0.033 0.000 1.345 181 H CB 0.174 29.928 29.762 -0.013 0.000 1.393 181 H HN 0.443 nan 8.280 nan 0.000 0.520 182 D N -0.447 119.939 120.400 -0.023 0.000 2.354 182 D HA -0.010 4.630 4.640 -0.001 0.000 0.209 182 D C 0.957 177.115 176.300 -0.235 0.000 1.015 182 D CA 0.259 54.191 54.000 -0.114 0.000 0.867 182 D CB 0.283 41.044 40.800 -0.067 0.000 0.933 182 D HN 0.452 nan 8.370 nan 0.000 0.520 183 N N -0.067 118.425 118.700 -0.348 0.000 2.218 183 N HA 0.010 4.749 4.740 -0.001 0.000 0.224 183 N C 1.516 176.962 175.510 -0.107 0.000 1.248 183 N CA -0.196 52.679 53.050 -0.292 0.000 0.875 183 N CB 0.916 38.889 38.487 -0.856 0.000 1.165 183 N HN -0.027 nan 8.380 nan 0.000 0.485 184 I N 3.332 123.852 120.570 -0.084 0.000 2.623 184 I HA -0.266 3.903 4.170 -0.001 0.000 0.261 184 I C 2.505 178.620 176.117 -0.003 0.000 1.204 184 I CA 1.403 62.748 61.300 0.076 0.000 1.444 184 I CB -0.208 37.804 38.000 0.020 0.000 1.094 184 I HN 0.229 nan 8.210 nan 0.000 0.451 185 Q N -0.922 118.696 119.800 -0.304 0.000 2.167 185 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 185 Q C 1.726 177.467 176.000 -0.430 0.000 0.970 185 Q CA 1.539 57.084 55.803 -0.430 0.000 0.855 185 Q CB -0.750 27.590 28.738 -0.663 0.000 0.911 185 Q HN 0.434 nan 8.270 nan 0.000 0.438 186 F N -0.458 119.430 119.950 -0.104 0.000 2.748 186 F HA 0.157 4.683 4.527 -0.001 0.000 0.299 186 F C 0.741 176.317 175.800 -0.374 0.000 1.154 186 F CA 0.208 58.055 58.000 -0.255 0.000 1.446 186 F CB 0.019 38.789 39.000 -0.382 0.000 1.112 186 F HN -0.000 nan 8.300 nan 0.000 0.584 187 F N -0.758 119.187 119.950 -0.009 0.000 2.678 187 F HA 0.424 4.951 4.527 -0.001 0.000 0.305 187 F C 1.790 177.597 175.800 0.012 0.000 1.090 187 F CA 0.372 58.352 58.000 -0.033 0.000 1.272 187 F CB 0.305 39.259 39.000 -0.077 0.000 1.060 187 F HN 0.032 nan 8.300 nan 0.000 0.576 188 G N 0.046 108.917 108.800 0.119 0.000 2.195 188 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.224 188 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.224 188 G C 0.699 175.633 174.900 0.057 0.000 0.990 188 G CA -0.333 44.815 45.100 0.080 0.000 0.639 188 G HN 0.683 nan 8.290 nan 0.000 0.514 189 G N -0.221 108.619 108.800 0.066 0.000 2.507 189 G HA2 0.472 4.432 3.960 -0.001 0.000 0.271 189 G HA3 0.472 4.432 3.960 -0.001 0.000 0.271 189 G C -0.720 174.159 174.900 -0.035 0.000 1.189 189 G CA 0.483 45.603 45.100 0.033 0.000 0.859 189 G HN 0.321 nan 8.290 nan 0.000 0.542 190 D N 1.135 121.515 120.400 -0.033 0.000 2.412 190 D HA 0.288 4.928 4.640 -0.001 0.000 0.224 190 D C -0.911 175.344 176.300 -0.075 0.000 1.093 190 D CA -2.389 51.571 54.000 -0.067 0.000 0.850 190 D CB 1.838 42.609 40.800 -0.049 0.000 1.046 190 D HN 0.066 nan 8.370 nan 0.000 0.507 191 P HA -0.186 nan 4.420 nan 0.000 0.221 191 P C 0.574 177.810 177.300 -0.107 0.000 1.145 191 P CA 0.985 63.983 63.100 -0.170 0.000 0.795 191 P CB 0.016 31.497 31.700 -0.366 0.000 0.775 192 K N -0.683 119.663 120.400 -0.089 0.000 2.476 192 K HA 0.153 4.472 4.320 -0.001 0.000 0.196 192 K C -0.225 176.360 176.600 -0.025 0.000 1.025 192 K CA 0.174 56.434 56.287 -0.044 0.000 1.138 192 K CB -0.352 32.116 32.500 -0.052 0.000 0.860 192 K HN -0.153 nan 8.250 nan 0.000 0.515 193 T N 0.989 115.534 114.554 -0.016 0.000 3.816 193 T HA 0.109 4.458 4.350 -0.001 0.000 0.232 193 T C -1.366 173.344 174.700 0.017 0.000 1.125 193 T CA -0.635 61.458 62.100 -0.013 0.000 1.609 193 T CB 0.950 69.798 68.868 -0.034 0.000 0.805 193 T HN 0.152 nan 8.240 nan 0.000 0.647 194 V N 1.692 121.644 119.914 0.063 0.000 2.398 194 V HA 0.733 4.852 4.120 -0.001 0.000 0.286 194 V C -0.503 175.684 176.094 0.154 0.000 1.026 194 V CA 0.052 62.418 62.300 0.109 0.000 0.868 194 V CB 1.564 33.471 31.823 0.139 0.000 0.982 194 V HN 0.523 nan 8.190 nan 0.000 0.443 195 T N 8.688 123.324 114.554 0.136 0.000 2.771 195 T HA 0.548 4.898 4.350 -0.001 0.000 0.281 195 T C -0.091 174.741 174.700 0.219 0.000 0.982 195 T CA -0.141 62.052 62.100 0.155 0.000 0.978 195 T CB 0.866 69.773 68.868 0.066 0.000 0.930 195 T HN 0.825 nan 8.240 nan 0.000 0.447 196 I N 1.381 122.048 120.570 0.162 0.000 2.437 196 I HA 0.878 5.047 4.170 -0.001 0.000 0.298 196 I C -1.018 175.271 176.117 0.286 0.000 0.984 196 I CA -1.113 60.266 61.300 0.132 0.000 1.214 196 I CB 1.155 39.024 38.000 -0.218 0.000 1.365 196 I HN 0.525 nan 8.210 nan 0.000 0.469 197 F N 3.188 123.175 119.950 0.063 0.000 2.581 197 F HA 0.975 5.501 4.527 -0.001 0.000 0.311 197 F C -0.387 175.436 175.800 0.038 0.000 1.113 197 F CA -0.992 57.083 58.000 0.125 0.000 0.935 197 F CB 1.152 40.324 39.000 0.286 0.000 1.232 197 F HN 0.779 nan 8.300 nan 0.000 0.445 198 G N 1.111 109.847 108.800 -0.108 0.000 2.866 198 G HA2 0.609 4.568 3.960 -0.001 0.000 0.289 198 G HA3 0.609 4.568 3.960 -0.001 0.000 0.289 198 G C -2.131 172.650 174.900 -0.197 0.000 1.396 198 G CA -0.805 43.970 45.100 -0.542 0.000 0.848 198 G HN 0.777 nan 8.290 nan 0.000 0.515 199 E N -0.328 119.694 120.200 -0.296 0.000 2.308 199 E HA 0.518 4.868 4.350 -0.001 0.000 0.275 199 E C 0.290 176.851 176.600 -0.065 0.000 0.890 199 E CA 0.149 56.547 56.400 -0.005 0.000 0.754 199 E CB 2.296 32.130 29.700 0.223 0.000 1.207 199 E HN 0.780 nan 8.360 nan 0.000 0.426 200 S N 2.908 118.632 115.700 0.041 0.000 4.139 200 S HA -0.403 4.067 4.470 -0.001 0.000 0.603 200 S C 1.482 176.149 174.600 0.112 0.000 1.897 200 S CA 2.275 60.552 58.200 0.129 0.000 4.241 200 S CB -1.528 61.678 63.200 0.009 0.000 0.221 200 S HN 0.948 nan 8.310 nan 0.000 0.488 201 A N 1.066 123.819 122.820 -0.113 0.000 2.070 201 A HA 0.212 4.532 4.320 -0.001 0.000 0.220 201 A C 2.407 179.724 177.584 -0.445 0.000 1.159 201 A CA 2.245 54.012 52.037 -0.450 0.000 0.656 201 A CB -1.440 16.925 19.000 -1.058 0.000 0.800 201 A HN 1.598 nan 8.150 nan 0.000 0.453 202 G N -0.978 107.631 108.800 -0.318 0.000 2.464 202 G HA2 0.175 4.135 3.960 -0.001 0.000 0.217 202 G HA3 0.175 4.135 3.960 -0.001 0.000 0.217 202 G C 1.363 176.099 174.900 -0.273 0.000 1.138 202 G CA 1.011 45.889 45.100 -0.371 0.000 0.793 202 G HN 0.621 nan 8.290 nan 0.000 0.539 203 G N 0.912 109.615 108.800 -0.162 0.000 2.430 203 G HA2 0.164 4.124 3.960 -0.001 0.000 0.216 203 G HA3 0.164 4.124 3.960 -0.001 0.000 0.216 203 G C 1.922 176.739 174.900 -0.137 0.000 1.146 203 G CA 1.259 46.300 45.100 -0.099 0.000 0.793 203 G HN 0.521 nan 8.290 nan 0.000 0.537 204 A N 0.721 123.477 122.820 -0.107 0.000 1.968 204 A HA 0.122 4.442 4.320 -0.001 0.000 0.217 204 A C 2.643 180.168 177.584 -0.098 0.000 1.169 204 A CA 2.002 53.954 52.037 -0.141 0.000 0.638 204 A CB -0.386 18.558 19.000 -0.094 0.000 0.812 204 A HN 0.272 nan 8.150 nan 0.000 0.446 205 S N -0.484 115.170 115.700 -0.078 0.000 2.368 205 S HA -0.107 4.363 4.470 -0.001 0.000 0.224 205 S C 1.895 176.400 174.600 -0.159 0.000 1.029 205 S CA 1.278 59.409 58.200 -0.115 0.000 0.988 205 S CB -0.378 62.720 63.200 -0.169 0.000 0.838 205 S HN 0.322 nan 8.310 nan 0.000 0.462 206 V N 1.704 121.542 119.914 -0.126 0.000 2.287 206 V HA -0.168 3.951 4.120 -0.001 0.000 0.248 206 V C 2.566 178.607 176.094 -0.089 0.000 1.053 206 V CA 2.036 64.278 62.300 -0.098 0.000 1.027 206 V CB -1.338 30.413 31.823 -0.121 0.000 0.646 206 V HN 0.601 nan 8.190 nan 0.000 0.447 207 G N -1.397 107.301 108.800 -0.171 0.000 2.470 207 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.220 207 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.220 207 G C 1.569 176.428 174.900 -0.068 0.000 1.121 207 G CA 0.797 45.758 45.100 -0.232 0.000 0.766 207 G HN 0.458 nan 8.290 nan 0.000 0.553 208 M N -0.372 119.200 119.600 -0.046 0.000 2.419 208 M HA 0.107 4.587 4.480 -0.001 0.000 0.264 208 M C 2.041 178.442 176.300 0.169 0.000 1.082 208 M CA 0.632 56.015 55.300 0.139 0.000 1.119 208 M CB 0.050 32.740 32.600 0.150 0.000 1.398 208 M HN 0.173 nan 8.290 nan 0.000 0.453 209 H N -0.609 118.589 119.070 0.213 0.000 2.512 209 H HA 0.114 4.670 4.556 -0.001 0.000 0.279 209 H C 1.988 177.526 175.328 0.351 0.000 0.999 209 H CA 1.077 57.255 56.048 0.217 0.000 1.283 209 H CB 0.058 29.856 29.762 0.060 0.000 1.421 209 H HN 0.395 nan 8.280 nan 0.000 0.554 210 I N 0.408 121.248 120.570 0.451 0.000 2.439 210 I HA -0.196 3.974 4.170 -0.001 0.000 0.251 210 I C 2.031 178.389 176.117 0.402 0.000 1.139 210 I CA 0.781 62.384 61.300 0.504 0.000 1.438 210 I CB 0.055 38.311 38.000 0.426 0.000 1.085 210 I HN 0.114 nan 8.210 nan 0.000 0.427 211 L N -0.669 120.757 121.223 0.339 0.000 2.162 211 L HA 0.012 4.351 4.340 -0.001 0.000 0.205 211 L C 1.506 178.525 176.870 0.249 0.000 1.086 211 L CA 0.153 55.194 54.840 0.336 0.000 0.778 211 L CB -0.277 41.988 42.059 0.343 0.000 0.928 211 L HN 0.093 nan 8.230 nan 0.000 0.446 212 S N 0.418 116.212 115.700 0.157 0.000 2.488 212 S HA 0.121 4.591 4.470 -0.001 0.000 0.278 212 S C -1.533 172.993 174.600 -0.123 0.000 1.259 212 S CA -1.306 56.816 58.200 -0.130 0.000 1.061 212 S CB 0.992 63.799 63.200 -0.654 0.000 0.910 212 S HN -0.096 nan 8.310 nan 0.000 0.491 213 P HA -0.041 nan 4.420 nan 0.000 0.216 213 P C 1.530 178.752 177.300 -0.131 0.000 1.153 213 P CA 1.322 64.366 63.100 -0.093 0.000 0.858 213 P CB -0.180 31.471 31.700 -0.082 0.000 0.789 214 G N -1.304 107.362 108.800 -0.223 0.000 2.498 214 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.219 214 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.219 214 G C 1.329 176.139 174.900 -0.149 0.000 1.119 214 G CA 0.799 45.776 45.100 -0.205 0.000 0.766 214 G HN 0.255 nan 8.290 nan 0.000 0.552 215 S N -0.412 115.227 115.700 -0.102 0.000 2.505 215 S HA 0.120 4.590 4.470 -0.001 0.000 0.216 215 S C 2.179 176.852 174.600 0.123 0.000 1.018 215 S CA -0.495 57.734 58.200 0.048 0.000 0.911 215 S CB 0.215 63.552 63.200 0.229 0.000 0.818 215 S HN 0.339 nan 8.310 nan 0.000 0.497 216 R N 2.271 122.798 120.500 0.046 0.000 2.119 216 R HA -0.141 4.198 4.340 -0.001 0.000 0.246 216 R C 0.498 176.625 176.300 -0.287 0.000 1.146 216 R CA 1.607 57.652 56.100 -0.092 0.000 0.962 216 R CB -0.815 29.451 30.300 -0.057 0.000 0.863 216 R HN 0.383 nan 8.270 nan 0.000 0.442 217 D N 0.590 120.883 120.400 -0.180 0.000 2.363 217 D HA 0.008 4.648 4.640 -0.001 0.000 0.226 217 D C 1.493 177.682 176.300 -0.185 0.000 1.020 217 D CA 0.516 54.401 54.000 -0.191 0.000 0.892 217 D CB 0.050 40.759 40.800 -0.151 0.000 0.900 217 D HN 0.251 nan 8.370 nan 0.000 0.531 218 L N -0.163 120.990 121.223 -0.117 0.000 2.607 218 L HA 0.177 4.517 4.340 -0.001 0.000 0.228 218 L C -0.134 176.877 176.870 0.236 0.000 1.123 218 L CA -0.062 54.789 54.840 0.018 0.000 0.890 218 L CB -0.157 41.927 42.059 0.041 0.000 1.103 218 L HN -0.066 nan 8.230 nan 0.000 0.468 219 F N -4.368 115.599 119.950 0.027 0.000 2.686 219 F HA 0.567 5.094 4.527 -0.000 0.000 0.311 219 F C 0.372 176.199 175.800 0.045 0.000 1.128 219 F CA -1.325 56.702 58.000 0.045 0.000 0.946 219 F CB 1.114 40.137 39.000 0.039 0.000 1.336 219 F HN -0.394 nan 8.300 nan 0.000 0.457 220 R N 0.754 121.334 120.500 0.134 0.000 2.087 220 R HA 0.474 4.814 4.340 -0.001 0.000 0.213 220 R C 0.013 176.366 176.300 0.089 0.000 1.137 220 R CA 1.038 57.150 56.100 0.020 0.000 1.022 220 R CB 0.238 30.546 30.300 0.012 0.000 0.920 220 R HN 0.805 nan 8.270 nan 0.000 0.451 221 R N -1.418 119.211 120.500 0.215 0.000 2.922 221 R HA 0.780 5.120 4.340 -0.001 0.000 0.256 221 R C -1.447 175.073 176.300 0.366 0.000 1.138 221 R CA -0.713 55.517 56.100 0.215 0.000 0.995 221 R CB 2.161 32.410 30.300 -0.084 0.000 1.226 221 R HN 0.212 nan 8.270 nan 0.000 0.481 222 A N 0.989 124.011 122.820 0.337 0.000 2.549 222 A HA 0.682 5.002 4.320 -0.001 0.000 0.297 222 A C -1.312 176.408 177.584 0.227 0.000 1.061 222 A CA -0.617 51.568 52.037 0.247 0.000 0.690 222 A CB 1.306 20.418 19.000 0.186 0.000 1.287 222 A HN 0.556 nan 8.150 nan 0.000 0.402 223 I N 1.638 122.306 120.570 0.163 0.000 2.466 223 I HA 0.404 4.574 4.170 -0.001 0.000 0.289 223 I C -1.477 174.710 176.117 0.117 0.000 1.026 223 I CA -0.615 60.721 61.300 0.060 0.000 1.078 223 I CB 1.860 39.853 38.000 -0.011 0.000 1.249 223 I HN 0.416 nan 8.210 nan 0.000 0.429 224 L N 6.612 127.873 121.223 0.064 0.000 2.325 224 L HA 0.463 4.803 4.340 -0.001 0.000 0.281 224 L C -0.467 176.491 176.870 0.147 0.000 1.004 224 L CA -0.277 54.600 54.840 0.062 0.000 0.823 224 L CB 1.601 43.635 42.059 -0.042 0.000 1.236 224 L HN 0.498 nan 8.230 nan 0.000 0.415 225 Q N 1.752 121.683 119.800 0.220 0.000 2.333 225 Q HA 0.493 4.833 4.340 -0.001 0.000 0.265 225 Q C 0.019 176.148 176.000 0.215 0.000 0.989 225 Q CA -0.644 55.349 55.803 0.318 0.000 0.842 225 Q CB 1.633 30.666 28.738 0.492 0.000 1.262 225 Q HN 0.636 nan 8.270 nan 0.000 0.451 226 S N 0.889 116.704 115.700 0.191 0.000 3.549 226 S HA -0.171 4.298 4.470 -0.001 0.000 0.366 226 S C 0.042 174.783 174.600 0.235 0.000 1.012 226 S CA 0.632 58.960 58.200 0.214 0.000 1.141 226 S CB -1.192 62.173 63.200 0.276 0.000 0.910 226 S HN 0.995 nan 8.310 nan 0.000 0.471 227 G N -0.289 108.591 108.800 0.134 0.000 2.658 227 G HA2 0.559 4.519 3.960 -0.001 0.000 0.301 227 G HA3 0.559 4.519 3.960 -0.001 0.000 0.301 227 G C -0.955 173.897 174.900 -0.081 0.000 1.481 227 G CA 0.097 45.273 45.100 0.127 0.000 0.931 227 G HN 1.089 nan 8.290 nan 0.000 0.573 228 S N 1.813 117.385 115.700 -0.212 0.000 2.564 228 S HA 0.811 5.281 4.470 -0.001 0.000 0.274 228 S C -1.795 172.511 174.600 -0.490 0.000 1.124 228 S CA -1.127 56.806 58.200 -0.446 0.000 0.869 228 S CB 3.159 66.082 63.200 -0.463 0.000 1.105 228 S HN 0.421 nan 8.310 nan 0.000 0.472 229 P HA -0.173 nan 4.420 nan 0.000 0.217 229 P C 0.504 177.548 177.300 -0.426 0.000 1.148 229 P CA 1.480 64.323 63.100 -0.428 0.000 0.828 229 P CB -0.369 31.113 31.700 -0.363 0.000 0.783 230 N N -0.686 117.795 118.700 -0.365 0.000 2.346 230 N HA 0.007 4.747 4.740 -0.001 0.000 0.225 230 N C -0.269 175.013 175.510 -0.379 0.000 1.144 230 N CA -0.334 52.541 53.050 -0.293 0.000 0.837 230 N CB -1.396 37.032 38.487 -0.098 0.000 1.069 230 N HN 0.043 nan 8.380 nan 0.000 0.487 231 C N 2.256 121.204 119.300 -0.587 0.000 2.601 231 C HA 0.221 4.680 4.460 -0.001 0.000 0.409 231 C C -0.271 174.243 174.990 -0.794 0.000 1.293 231 C CA -1.039 57.508 59.018 -0.785 0.000 2.101 231 C CB 1.448 28.415 27.740 -1.289 0.000 2.639 231 C HN 0.364 nan 8.230 nan 0.000 0.592 232 P HA -0.113 nan 4.420 nan 0.000 0.226 232 P C 0.995 178.108 177.300 -0.313 0.000 1.146 232 P CA 1.724 64.565 63.100 -0.432 0.000 0.773 232 P CB -0.032 31.433 31.700 -0.393 0.000 0.772 233 W N -1.907 119.250 121.300 -0.239 0.000 3.058 233 W HA 0.571 5.231 4.660 -0.000 0.000 0.306 233 W C 1.157 177.693 176.519 0.029 0.000 1.188 233 W CA 0.339 57.607 57.345 -0.130 0.000 1.651 233 W CB -0.879 28.507 29.460 -0.124 0.000 1.051 233 W HN -0.135 nan 8.180 nan 0.000 0.592 234 A N 1.579 124.091 122.820 -0.514 0.000 2.208 234 A HA 0.190 4.510 4.320 -0.001 0.000 0.209 234 A C 0.964 178.381 177.584 -0.279 0.000 1.161 234 A CA 1.211 53.063 52.037 -0.308 0.000 0.782 234 A CB -0.576 17.996 19.000 -0.712 0.000 0.816 234 A HN 0.239 nan 8.150 nan 0.000 0.477 235 S N -1.924 113.608 115.700 -0.280 0.000 2.587 235 S HA 0.612 5.082 4.470 -0.001 0.000 0.269 235 S C -0.788 173.688 174.600 -0.207 0.000 1.154 235 S CA -0.102 57.931 58.200 -0.278 0.000 0.824 235 S CB 1.199 64.177 63.200 -0.370 0.000 1.118 235 S HN 1.351 nan 8.310 nan 0.000 0.462 236 V N -0.947 118.865 119.914 -0.170 0.000 3.160 236 V HA 0.966 5.085 4.120 -0.001 0.000 0.310 236 V C 0.111 176.136 176.094 -0.115 0.000 1.181 236 V CA -0.440 61.781 62.300 -0.131 0.000 1.047 236 V CB 1.174 32.934 31.823 -0.105 0.000 1.068 236 V HN 1.544 nan 8.190 nan 0.000 0.441 237 S N 0.368 116.009 115.700 -0.099 0.000 2.632 237 S HA 0.409 4.878 4.470 -0.001 0.000 0.267 237 S C 1.251 175.804 174.600 -0.078 0.000 1.276 237 S CA -0.011 58.135 58.200 -0.090 0.000 0.998 237 S CB 1.270 64.423 63.200 -0.078 0.000 0.953 237 S HN 2.129 nan 8.310 nan 0.000 0.547 238 V N -1.012 118.844 119.914 -0.097 0.000 2.490 238 V HA -0.021 4.099 4.120 -0.001 0.000 0.250 238 V C 2.468 178.537 176.094 -0.042 0.000 1.061 238 V CA 1.743 63.989 62.300 -0.089 0.000 1.064 238 V CB -1.982 29.719 31.823 -0.204 0.000 0.670 238 V HN 0.999 nan 8.190 nan 0.000 0.461 239 A N 0.647 123.439 122.820 -0.048 0.000 1.873 239 A HA -0.190 4.130 4.320 -0.001 0.000 0.215 239 A C 2.215 179.776 177.584 -0.039 0.000 1.186 239 A CA 1.965 53.983 52.037 -0.033 0.000 0.616 239 A CB -0.639 18.341 19.000 -0.034 0.000 0.823 239 A HN 0.624 nan 8.150 nan 0.000 0.442 240 E N 0.133 120.300 120.200 -0.054 0.000 2.208 240 E HA 0.016 4.365 4.350 -0.001 0.000 0.193 240 E C 1.892 178.454 176.600 -0.064 0.000 0.988 240 E CA 1.287 57.643 56.400 -0.072 0.000 0.828 240 E CB -0.724 28.924 29.700 -0.088 0.000 0.763 240 E HN 0.390 nan 8.360 nan 0.000 0.478 241 G N 0.562 109.339 108.800 -0.040 0.000 2.402 241 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.216 241 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.216 241 G C 1.773 176.682 174.900 0.014 0.000 1.162 241 G CA 0.705 45.803 45.100 -0.004 0.000 0.777 241 G HN 0.300 nan 8.290 nan 0.000 0.539 242 R N 0.184 120.687 120.500 0.005 0.000 2.075 242 R HA 0.048 4.388 4.340 -0.001 0.000 0.232 242 R C 2.558 178.855 176.300 -0.007 0.000 1.126 242 R CA 1.040 57.144 56.100 0.007 0.000 0.963 242 R CB -0.314 29.994 30.300 0.013 0.000 0.858 242 R HN 0.246 nan 8.270 nan 0.000 0.435 243 R N 0.640 121.125 120.500 -0.025 0.000 2.091 243 R HA -0.132 4.208 4.340 -0.001 0.000 0.238 243 R C 2.040 178.316 176.300 -0.040 0.000 1.136 243 R CA 1.729 57.805 56.100 -0.039 0.000 0.959 243 R CB -0.076 30.186 30.300 -0.063 0.000 0.856 243 R HN 0.272 nan 8.270 nan 0.000 0.437 244 R N -0.423 120.049 120.500 -0.045 0.000 2.115 244 R HA 0.014 4.353 4.340 -0.001 0.000 0.226 244 R C 2.303 178.659 176.300 0.093 0.000 1.100 244 R CA 0.951 57.025 56.100 -0.044 0.000 0.980 244 R CB -0.187 30.007 30.300 -0.177 0.000 0.875 244 R HN 0.217 nan 8.270 nan 0.000 0.445 245 A N 0.862 123.741 122.820 0.097 0.000 1.877 245 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 245 A C 2.324 179.911 177.584 0.004 0.000 1.186 245 A CA 1.414 53.486 52.037 0.058 0.000 0.620 245 A CB -0.559 18.431 19.000 -0.017 0.000 0.822 245 A HN 0.091 nan 8.150 nan 0.000 0.443 246 V N -0.100 119.813 119.914 -0.002 0.000 2.261 246 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 246 V C 2.593 178.688 176.094 0.001 0.000 1.047 246 V CA 2.407 64.701 62.300 -0.008 0.000 1.015 246 V CB -0.818 30.998 31.823 -0.010 0.000 0.642 246 V HN 0.660 nan 8.190 nan 0.000 0.446 247 E N 0.228 120.430 120.200 0.003 0.000 2.118 247 E HA -0.247 4.103 4.350 -0.001 0.000 0.195 247 E C 1.915 178.531 176.600 0.027 0.000 0.992 247 E CA 1.399 57.802 56.400 0.004 0.000 0.804 247 E CB -0.496 29.194 29.700 -0.017 0.000 0.741 247 E HN 0.454 nan 8.360 nan 0.000 0.458 248 L N -0.299 120.960 121.223 0.059 0.000 2.012 248 L HA -0.031 4.309 4.340 -0.001 0.000 0.210 248 L C 2.199 179.086 176.870 0.027 0.000 1.073 248 L CA 2.535 57.422 54.840 0.079 0.000 0.748 248 L CB -1.088 41.045 42.059 0.122 0.000 0.891 248 L HN 0.211 nan 8.230 nan 0.000 0.431 249 G N -1.072 107.730 108.800 0.003 0.000 2.448 249 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.219 249 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.219 249 G C 1.814 176.722 174.900 0.013 0.000 1.127 249 G CA 0.669 45.768 45.100 -0.001 0.000 0.766 249 G HN 0.429 nan 8.290 nan 0.000 0.552 250 R N 0.401 120.909 120.500 0.014 0.000 2.115 250 R HA 0.043 4.383 4.340 -0.001 0.000 0.226 250 R C 2.071 178.385 176.300 0.023 0.000 1.100 250 R CA 0.941 57.050 56.100 0.016 0.000 0.980 250 R CB -0.291 30.016 30.300 0.010 0.000 0.875 250 R HN 0.353 nan 8.270 nan 0.000 0.445 251 N N 0.183 118.900 118.700 0.029 0.000 2.396 251 N HA -0.076 4.664 4.740 -0.001 0.000 0.180 251 N C 0.959 176.493 175.510 0.040 0.000 1.028 251 N CA 0.722 53.795 53.050 0.037 0.000 0.893 251 N CB 0.202 38.718 38.487 0.048 0.000 0.967 251 N HN 0.243 nan 8.380 nan 0.000 0.440 252 L N 0.961 122.206 121.223 0.037 0.000 2.700 252 L HA 0.182 4.522 4.340 -0.001 0.000 0.234 252 L C -0.455 176.436 176.870 0.036 0.000 1.156 252 L CA -0.176 54.688 54.840 0.039 0.000 0.946 252 L CB -0.203 41.880 42.059 0.040 0.000 1.216 252 L HN 0.063 nan 8.230 nan 0.000 0.493 253 N N 0.170 118.889 118.700 0.032 0.000 2.641 253 N HA -0.208 4.532 4.740 -0.001 0.000 0.267 253 N C -0.146 175.383 175.510 0.032 0.000 1.087 253 N CA 1.069 54.137 53.050 0.029 0.000 0.731 253 N CB -1.790 36.715 38.487 0.030 0.000 0.886 253 N HN 0.512 nan 8.380 nan 0.000 0.547 254 C N 0.820 120.138 119.300 0.030 0.000 2.435 254 C HA 0.593 5.053 4.460 -0.001 0.000 0.333 254 C C 1.059 176.066 174.990 0.028 0.000 1.202 254 C CA -0.860 58.179 59.018 0.035 0.000 1.830 254 C CB 1.344 29.105 27.740 0.036 0.000 2.326 254 C HN 0.537 nan 8.230 nan 0.000 0.507 255 N N 2.627 121.347 118.700 0.033 0.000 2.440 255 N HA 0.161 4.900 4.740 -0.001 0.000 0.265 255 N C 0.193 175.714 175.510 0.017 0.000 1.239 255 N CA 0.269 53.332 53.050 0.022 0.000 0.909 255 N CB 0.326 38.825 38.487 0.020 0.000 1.066 255 N HN 0.654 nan 8.380 nan 0.000 0.474 256 L N 2.914 124.143 121.223 0.010 0.000 2.872 256 L HA 0.226 4.566 4.340 -0.001 0.000 0.245 256 L C 1.176 178.048 176.870 0.003 0.000 1.211 256 L CA -0.319 54.524 54.840 0.006 0.000 1.013 256 L CB -0.161 41.900 42.059 0.003 0.000 1.326 256 L HN 0.394 nan 8.230 nan 0.000 0.525 257 N N 0.570 119.271 118.700 0.003 0.000 2.396 257 N HA -0.041 4.699 4.740 -0.001 0.000 0.180 257 N C 0.636 176.145 175.510 -0.000 0.000 1.028 257 N CA 0.685 53.735 53.050 0.000 0.000 0.893 257 N CB 0.372 38.858 38.487 -0.001 0.000 0.967 257 N HN 0.479 nan 8.380 nan 0.000 0.440 258 S N -1.496 114.205 115.700 0.001 0.000 2.588 258 S HA 0.315 4.784 4.470 -0.001 0.000 0.269 258 S C -0.202 174.400 174.600 0.002 0.000 1.157 258 S CA -0.846 57.355 58.200 0.001 0.000 0.824 258 S CB 1.561 64.760 63.200 -0.000 0.000 1.126 258 S HN -0.257 nan 8.310 nan 0.000 0.464 259 D N 1.195 121.595 120.400 0.000 0.000 2.123 259 D HA -0.064 4.576 4.640 -0.001 0.000 0.196 259 D C 1.526 177.833 176.300 0.012 0.000 0.992 259 D CA 1.940 55.939 54.000 -0.003 0.000 0.833 259 D CB -0.225 40.571 40.800 -0.007 0.000 0.954 259 D HN 0.696 nan 8.370 nan 0.000 0.455 260 E N 0.542 120.754 120.200 0.020 0.000 2.077 260 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 260 E C 1.934 178.570 176.600 0.060 0.000 0.989 260 E CA 0.873 57.298 56.400 0.041 0.000 0.800 260 E CB -0.235 29.480 29.700 0.025 0.000 0.746 260 E HN 0.209 nan 8.360 nan 0.000 0.452 261 E N 0.304 120.522 120.200 0.031 0.000 2.033 261 E HA -0.183 4.166 4.350 -0.001 0.000 0.199 261 E C 1.844 178.483 176.600 0.065 0.000 1.011 261 E CA 0.852 57.270 56.400 0.031 0.000 0.815 261 E CB -0.384 29.322 29.700 0.011 0.000 0.755 261 E HN 0.204 nan 8.360 nan 0.000 0.451 262 L N 0.452 121.697 121.223 0.038 0.000 1.961 262 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 262 L C 2.211 179.102 176.870 0.036 0.000 1.072 262 L CA 1.774 56.628 54.840 0.024 0.000 0.749 262 L CB -0.710 41.340 42.059 -0.015 0.000 0.889 262 L HN 0.276 nan 8.230 nan 0.000 0.432 263 I N -0.614 119.972 120.570 0.026 0.000 2.145 263 I HA -0.401 3.768 4.170 -0.001 0.000 0.244 263 I C 2.669 178.867 176.117 0.136 0.000 1.075 263 I CA 1.856 63.187 61.300 0.051 0.000 1.332 263 I CB -0.903 37.134 38.000 0.061 0.000 1.033 263 I HN 0.529 nan 8.210 nan 0.000 0.410 264 H N 1.374 120.480 119.070 0.060 0.000 2.352 264 H HA -0.259 4.297 4.556 -0.001 0.000 0.299 264 H C 2.363 177.731 175.328 0.067 0.000 1.097 264 H CA 2.318 58.404 56.048 0.063 0.000 1.311 264 H CB -0.177 29.609 29.762 0.040 0.000 1.377 264 H HN 0.644 nan 8.280 nan 0.000 0.504 265 C N 1.448 120.871 119.300 0.205 0.000 2.429 265 C HA 0.001 4.460 4.460 -0.001 0.000 0.277 265 C C 3.164 178.191 174.990 0.062 0.000 1.262 265 C CA 0.922 60.024 59.018 0.140 0.000 1.733 265 C CB -1.275 26.541 27.740 0.126 0.000 2.010 265 C HN 0.532 nan 8.230 nan 0.000 0.483 266 L N -0.355 120.920 121.223 0.087 0.000 2.201 266 L HA -0.094 4.246 4.340 -0.001 0.000 0.212 266 L C 2.893 179.880 176.870 0.194 0.000 1.105 266 L CA 0.938 55.867 54.840 0.148 0.000 0.775 266 L CB -0.412 41.733 42.059 0.143 0.000 0.913 266 L HN 0.404 nan 8.230 nan 0.000 0.440 267 R N -0.395 120.172 120.500 0.111 0.000 2.276 267 R HA -0.053 4.286 4.340 -0.001 0.000 0.203 267 R C 1.384 177.636 176.300 -0.081 0.000 1.017 267 R CA 0.438 56.533 56.100 -0.009 0.000 1.010 267 R CB 0.110 30.374 30.300 -0.060 0.000 0.900 267 R HN 0.270 nan 8.270 nan 0.000 0.469 268 E N 0.486 120.631 120.200 -0.092 0.000 2.474 268 E HA 0.047 4.397 4.350 -0.001 0.000 0.194 268 E C -0.049 176.548 176.600 -0.005 0.000 1.041 268 E CA 0.424 56.781 56.400 -0.071 0.000 0.874 268 E CB 0.342 29.995 29.700 -0.078 0.000 0.914 268 E HN 0.035 nan 8.360 nan 0.000 0.498 269 K N 1.483 121.898 120.400 0.025 0.000 2.218 269 K HA 0.234 4.554 4.320 -0.001 0.000 0.276 269 K C 0.401 177.041 176.600 0.066 0.000 1.022 269 K CA -0.281 56.037 56.287 0.051 0.000 0.946 269 K CB 1.226 33.767 32.500 0.068 0.000 1.000 269 K HN -0.103 nan 8.250 nan 0.000 0.468 270 K N 2.525 122.965 120.400 0.067 0.000 2.355 270 K HA 0.015 4.335 4.320 -0.001 0.000 0.270 270 K C -1.590 175.092 176.600 0.137 0.000 1.003 270 K CA -1.399 54.932 56.287 0.073 0.000 0.957 270 K CB 0.148 32.683 32.500 0.058 0.000 0.939 270 K HN 0.181 nan 8.250 nan 0.000 0.482 271 P HA -0.238 nan 4.420 nan 0.000 0.216 271 P C 1.004 178.509 177.300 0.342 0.000 1.154 271 P CA 1.285 64.580 63.100 0.326 0.000 0.865 271 P CB 0.242 31.961 31.700 0.032 0.000 0.789 272 Q N -0.174 119.739 119.800 0.189 0.000 2.500 272 Q HA -0.138 4.202 4.340 -0.001 0.000 0.213 272 Q C 1.599 177.696 176.000 0.161 0.000 0.974 272 Q CA 1.315 57.221 55.803 0.173 0.000 0.918 272 Q CB -0.735 28.071 28.738 0.113 0.000 0.980 272 Q HN 0.382 nan 8.270 nan 0.000 0.505 273 E N -1.148 119.139 120.200 0.145 0.000 2.190 273 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 273 E C 1.282 177.946 176.600 0.106 0.000 0.978 273 E CA 0.361 56.829 56.400 0.114 0.000 0.839 273 E CB 0.136 29.890 29.700 0.090 0.000 0.787 273 E HN 0.236 nan 8.360 nan 0.000 0.473 274 L N 0.894 122.175 121.223 0.097 0.000 2.109 274 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 274 L C 2.209 179.115 176.870 0.059 0.000 1.086 274 L CA 1.297 56.143 54.840 0.010 0.000 0.760 274 L CB -0.306 41.651 42.059 -0.171 0.000 0.910 274 L HN 0.122 nan 8.230 nan 0.000 0.437 275 I N -0.661 120.001 120.570 0.154 0.000 2.394 275 I HA -0.236 3.934 4.170 -0.001 0.000 0.251 275 I C 1.771 178.060 176.117 0.285 0.000 1.136 275 I CA 0.830 62.280 61.300 0.250 0.000 1.425 275 I CB -0.390 37.820 38.000 0.350 0.000 1.079 275 I HN 0.238 nan 8.210 nan 0.000 0.425 276 D N 0.613 121.150 120.400 0.227 0.000 2.218 276 D HA -0.106 4.534 4.640 -0.001 0.000 0.204 276 D C 1.923 178.350 176.300 0.211 0.000 0.976 276 D CA 1.409 55.543 54.000 0.223 0.000 0.853 276 D CB 0.176 41.071 40.800 0.159 0.000 0.939 276 D HN 0.381 nan 8.370 nan 0.000 0.481 277 V N -2.102 117.914 119.914 0.169 0.000 3.477 277 V HA 0.175 4.294 4.120 -0.001 0.000 0.297 277 V C 1.843 178.020 176.094 0.137 0.000 1.433 277 V CA 0.091 62.479 62.300 0.146 0.000 1.052 277 V CB 0.274 32.158 31.823 0.103 0.000 0.895 277 V HN -0.034 nan 8.190 nan 0.000 0.438 278 E N 1.117 121.394 120.200 0.128 0.000 2.114 278 E HA -0.288 4.061 4.350 -0.001 0.000 0.199 278 E C 1.521 178.044 176.600 -0.129 0.000 1.008 278 E CA 2.612 59.046 56.400 0.057 0.000 0.810 278 E CB -0.312 29.373 29.700 -0.026 0.000 0.739 278 E HN 0.765 nan 8.360 nan 0.000 0.456 279 W N 0.866 122.153 121.300 -0.020 0.000 2.961 279 W HA 0.071 4.731 4.660 -0.000 0.000 0.240 279 W C 1.472 177.952 176.519 -0.064 0.000 1.305 279 W CA 0.033 57.322 57.345 -0.092 0.000 1.465 279 W CB 0.044 29.414 29.460 -0.150 0.000 1.135 279 W HN 0.116 nan 8.180 nan 0.000 0.688 280 N N 0.030 118.808 118.700 0.130 0.000 2.467 280 N HA -0.080 4.660 4.740 -0.001 0.000 0.184 280 N C 1.748 177.262 175.510 0.008 0.000 1.106 280 N CA 1.245 54.341 53.050 0.076 0.000 0.892 280 N CB -0.315 38.216 38.487 0.073 0.000 0.969 280 N HN 0.257 nan 8.380 nan 0.000 0.454 281 V N -2.057 117.827 119.914 -0.051 0.000 3.608 281 V HA 0.239 4.359 4.120 -0.001 0.000 0.269 281 V C 0.797 176.791 176.094 -0.167 0.000 1.245 281 V CA -0.067 62.164 62.300 -0.115 0.000 1.138 281 V CB -0.634 31.092 31.823 -0.161 0.000 0.841 281 V HN -0.017 nan 8.190 nan 0.000 0.451 282 L N 2.574 123.716 121.223 -0.136 0.000 2.525 282 L HA 0.171 4.511 4.340 -0.001 0.000 0.278 282 L C -0.218 176.547 176.870 -0.174 0.000 1.218 282 L CA -0.774 53.984 54.840 -0.137 0.000 0.878 282 L CB 0.553 42.594 42.059 -0.031 0.000 1.127 282 L HN 0.179 nan 8.230 nan 0.000 0.492 283 P HA -0.077 nan 4.420 nan 0.000 0.221 283 P C -0.166 176.707 177.300 -0.710 0.000 1.150 283 P CA 1.231 63.978 63.100 -0.589 0.000 0.800 283 P CB 0.262 31.450 31.700 -0.854 0.000 0.787 284 F N -0.657 119.291 119.950 -0.004 0.000 2.620 284 F HA 0.366 4.893 4.527 -0.001 0.000 0.320 284 F C 0.344 176.152 175.800 0.014 0.000 1.069 284 F CA -1.672 56.333 58.000 0.009 0.000 0.953 284 F CB 0.300 39.311 39.000 0.018 0.000 1.322 284 F HN -0.355 nan 8.300 nan 0.000 0.479 285 D N 1.357 121.901 120.400 0.241 0.000 2.338 285 D HA 0.388 5.027 4.640 -0.001 0.000 0.255 285 D C -0.586 175.793 176.300 0.132 0.000 1.237 285 D CA 0.388 54.469 54.000 0.134 0.000 0.883 285 D CB 0.474 41.332 40.800 0.097 0.000 1.087 285 D HN 0.609 nan 8.370 nan 0.000 0.485 286 S N 3.137 118.904 115.700 0.111 0.000 2.705 286 S HA 0.670 5.140 4.470 -0.001 0.000 0.280 286 S C -0.597 174.043 174.600 0.068 0.000 1.174 286 S CA -1.000 57.256 58.200 0.093 0.000 0.823 286 S CB 1.283 64.558 63.200 0.126 0.000 1.162 286 S HN 0.462 nan 8.310 nan 0.000 0.487 287 I N 0.497 121.103 120.570 0.060 0.000 2.619 287 I HA 0.583 4.753 4.170 -0.001 0.000 0.292 287 I C -1.244 174.918 176.117 0.074 0.000 1.100 287 I CA -0.828 60.518 61.300 0.076 0.000 1.043 287 I CB 1.546 39.591 38.000 0.074 0.000 1.239 287 I HN 0.870 nan 8.210 nan 0.000 0.420 288 F N 5.784 125.628 119.950 -0.177 0.000 3.056 288 F HA -0.195 4.331 4.527 -0.001 0.000 0.301 288 F C -0.807 174.504 175.800 -0.816 0.000 0.907 288 F CA 0.460 58.114 58.000 -0.577 0.000 1.113 288 F CB -0.671 37.874 39.000 -0.757 0.000 1.123 288 F HN 0.496 nan 8.300 nan 0.000 0.661 289 R N 0.473 120.579 120.500 -0.657 0.000 2.673 289 R HA 0.680 5.019 4.340 -0.001 0.000 0.281 289 R C -1.060 174.786 176.300 -0.756 0.000 0.991 289 R CA -0.570 55.150 56.100 -0.634 0.000 0.896 289 R CB 1.452 31.662 30.300 -0.150 0.000 1.201 289 R HN -0.013 nan 8.270 nan 0.000 0.457 290 F N -0.802 119.232 119.950 0.139 0.000 2.563 290 F HA 0.390 4.917 4.527 -0.001 0.000 0.316 290 F C 1.582 177.246 175.800 -0.226 0.000 1.076 290 F CA -0.891 57.083 58.000 -0.043 0.000 0.921 290 F CB 1.642 40.717 39.000 0.124 0.000 1.209 290 F HN 0.359 nan 8.300 nan 0.000 0.462 291 S N 0.699 116.191 115.700 -0.346 0.000 2.363 291 S HA -0.108 4.361 4.470 -0.001 0.000 0.218 291 S C 0.110 174.222 174.600 -0.814 0.000 1.035 291 S CA 1.389 59.169 58.200 -0.699 0.000 1.043 291 S CB -0.317 62.281 63.200 -1.003 0.000 0.986 291 S HN 0.355 nan 8.310 nan 0.000 0.423 292 F N 1.547 121.472 119.950 -0.041 0.000 2.361 292 F HA 0.579 5.106 4.527 -0.001 0.000 0.364 292 F C 0.070 175.867 175.800 -0.005 0.000 1.117 292 F CA -0.910 57.108 58.000 0.031 0.000 1.071 292 F CB 1.068 40.123 39.000 0.092 0.000 1.188 292 F HN -0.038 nan 8.300 nan 0.000 0.464 293 V N 0.820 120.715 119.914 -0.032 0.000 3.167 293 V HA 0.742 4.862 4.120 -0.001 0.000 0.310 293 V C -2.909 172.934 176.094 -0.420 0.000 1.207 293 V CA -3.293 58.719 62.300 -0.479 0.000 1.059 293 V CB 1.912 33.604 31.823 -0.218 0.000 1.079 293 V HN 0.288 nan 8.190 nan 0.000 0.446 294 P HA 0.224 nan 4.420 nan 0.000 0.267 294 P C -0.896 176.331 177.300 -0.122 0.000 1.201 294 P CA 0.364 63.303 63.100 -0.268 0.000 0.775 294 P CB 0.598 32.055 31.700 -0.405 0.000 0.854 295 V N 3.986 123.916 119.914 0.026 0.000 2.638 295 V HA 0.334 4.454 4.120 -0.001 0.000 0.306 295 V C -0.669 175.489 176.094 0.106 0.000 1.052 295 V CA -0.991 61.315 62.300 0.010 0.000 0.885 295 V CB 1.515 33.352 31.823 0.023 0.000 0.999 295 V HN 0.216 nan 8.190 nan 0.000 0.424 296 I N 7.073 127.641 120.570 -0.003 0.000 2.577 296 I HA 0.176 4.345 4.170 -0.001 0.000 0.299 296 I C 1.034 177.183 176.117 0.054 0.000 1.157 296 I CA 0.461 61.798 61.300 0.061 0.000 1.418 296 I CB -0.189 37.755 38.000 -0.094 0.000 1.467 296 I HN 0.886 nan 8.210 nan 0.000 0.624 297 D N 3.504 123.995 120.400 0.152 0.000 2.366 297 D HA 0.063 4.702 4.640 -0.001 0.000 0.205 297 D C 1.385 177.721 176.300 0.060 0.000 1.022 297 D CA 0.849 54.858 54.000 0.016 0.000 0.868 297 D CB 0.470 41.363 40.800 0.155 0.000 0.953 297 D HN 0.643 nan 8.370 nan 0.000 0.514 298 G N 0.253 109.135 108.800 0.137 0.000 2.176 298 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.232 298 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.232 298 G C 0.688 175.661 174.900 0.123 0.000 0.986 298 G CA 0.478 45.651 45.100 0.122 0.000 0.643 298 G HN 0.460 nan 8.290 nan 0.000 0.522 299 E N -1.384 118.896 120.200 0.134 0.000 2.625 299 E HA 0.414 4.764 4.350 -0.001 0.000 0.185 299 E C 1.713 178.321 176.600 0.013 0.000 1.085 299 E CA -0.270 56.177 56.400 0.079 0.000 1.137 299 E CB -0.050 29.712 29.700 0.103 0.000 1.687 299 E HN 0.144 nan 8.360 nan 0.000 0.512 300 F N 1.045 120.891 119.950 -0.175 0.000 2.120 300 F HA -0.091 4.435 4.527 -0.000 0.000 0.300 300 F C 0.217 175.679 175.800 -0.564 0.000 1.095 300 F CA 1.273 59.011 58.000 -0.437 0.000 1.249 300 F CB 0.235 38.834 39.000 -0.670 0.000 0.995 300 F HN -0.099 nan 8.300 nan 0.000 0.480 301 F N 0.418 120.511 119.950 0.239 0.000 2.375 301 F HA 0.356 4.882 4.527 -0.001 0.000 0.361 301 F C -1.552 174.290 175.800 0.070 0.000 1.117 301 F CA -2.966 55.116 58.000 0.136 0.000 1.037 301 F CB 0.525 39.597 39.000 0.119 0.000 1.192 301 F HN -0.255 nan 8.300 nan 0.000 0.452 302 P HA -0.143 nan 4.420 nan 0.000 0.214 302 P C 0.689 178.053 177.300 0.107 0.000 1.169 302 P CA 2.167 65.330 63.100 0.106 0.000 0.908 302 P CB 0.174 31.916 31.700 0.071 0.000 0.791 303 T N -5.572 109.049 114.554 0.112 0.000 2.551 303 T HA 0.465 4.814 4.350 -0.001 0.000 0.249 303 T C 0.052 174.789 174.700 0.061 0.000 0.851 303 T CA -0.456 61.687 62.100 0.072 0.000 1.149 303 T CB 0.398 69.295 68.868 0.047 0.000 1.456 303 T HN 0.016 nan 8.240 nan 0.000 0.514 304 S N -0.073 115.640 115.700 0.021 0.000 2.592 304 S HA 0.319 4.789 4.470 -0.001 0.000 0.271 304 S C 1.424 176.015 174.600 -0.016 0.000 1.326 304 S CA -0.836 57.352 58.200 -0.019 0.000 1.024 304 S CB -0.172 63.013 63.200 -0.025 0.000 0.921 304 S HN 0.630 nan 8.310 nan 0.000 0.527 305 L N 0.498 121.674 121.223 -0.078 0.000 2.046 305 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 305 L C 2.923 179.805 176.870 0.020 0.000 1.077 305 L CA 1.707 56.513 54.840 -0.058 0.000 0.747 305 L CB -0.738 41.227 42.059 -0.157 0.000 0.896 305 L HN 0.748 nan 8.230 nan 0.000 0.432 306 E N 0.559 120.771 120.200 0.020 0.000 2.118 306 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 306 E C 2.291 178.936 176.600 0.076 0.000 0.992 306 E CA 1.675 58.119 56.400 0.073 0.000 0.804 306 E CB -0.114 29.624 29.700 0.064 0.000 0.741 306 E HN 0.487 nan 8.360 nan 0.000 0.458 307 S N -0.870 114.861 115.700 0.051 0.000 2.428 307 S HA -0.080 4.389 4.470 -0.001 0.000 0.230 307 S C 2.077 176.709 174.600 0.054 0.000 1.014 307 S CA 0.931 59.160 58.200 0.049 0.000 0.957 307 S CB -0.257 62.962 63.200 0.032 0.000 0.784 307 S HN 0.217 nan 8.310 nan 0.000 0.499 308 M N 0.908 120.553 119.600 0.075 0.000 2.156 308 M HA 0.103 4.583 4.480 -0.001 0.000 0.264 308 M C 2.137 178.539 176.300 0.171 0.000 1.067 308 M CA 1.275 56.640 55.300 0.109 0.000 1.131 308 M CB -0.607 32.086 32.600 0.154 0.000 1.368 308 M HN 0.307 nan 8.290 nan 0.000 0.416 309 L N 0.007 121.332 121.223 0.169 0.000 2.201 309 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 309 L C 2.063 179.027 176.870 0.157 0.000 1.105 309 L CA 0.746 55.697 54.840 0.185 0.000 0.775 309 L CB -0.664 41.445 42.059 0.083 0.000 0.913 309 L HN 0.384 nan 8.230 nan 0.000 0.440 310 N N -0.600 118.161 118.700 0.101 0.000 2.376 310 N HA -0.080 4.660 4.740 -0.001 0.000 0.177 310 N C 1.864 177.410 175.510 0.059 0.000 1.024 310 N CA 1.398 54.512 53.050 0.107 0.000 0.893 310 N CB 0.157 38.701 38.487 0.095 0.000 0.980 310 N HN 0.296 nan 8.380 nan 0.000 0.439 311 S N -0.920 114.752 115.700 -0.047 0.000 2.575 311 S HA 0.240 4.709 4.470 -0.001 0.000 0.215 311 S C 1.345 175.663 174.600 -0.469 0.000 0.966 311 S CA 0.391 58.513 58.200 -0.131 0.000 0.911 311 S CB 0.219 63.373 63.200 -0.078 0.000 0.780 311 S HN 0.328 nan 8.310 nan 0.000 0.514 312 G N 2.029 110.259 108.800 -0.950 0.000 2.153 312 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.252 312 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.252 312 G C 0.035 174.146 174.900 -1.314 0.000 0.994 312 G CA 0.142 44.074 45.100 -1.947 0.000 0.698 312 G HN 0.621 nan 8.290 nan 0.000 0.521 313 N N 0.653 118.975 118.700 -0.629 0.000 2.895 313 N HA 0.504 5.244 4.740 -0.001 0.000 0.277 313 N C -0.192 175.264 175.510 -0.090 0.000 1.185 313 N CA -0.049 52.818 53.050 -0.306 0.000 1.106 313 N CB -0.922 37.506 38.487 -0.098 0.000 1.422 313 N HN 0.784 nan 8.380 nan 0.000 0.521 314 F N -1.034 118.861 119.950 -0.092 0.000 2.799 314 F HA 0.334 4.860 4.527 -0.000 0.000 0.316 314 F C -0.518 175.300 175.800 0.030 0.000 1.155 314 F CA -1.414 56.597 58.000 0.018 0.000 0.916 314 F CB 0.542 39.603 39.000 0.102 0.000 1.294 314 F HN -0.104 nan 8.300 nan 0.000 0.447 315 K N 2.138 122.776 120.400 0.397 0.000 2.395 315 K HA 0.150 4.470 4.320 -0.001 0.000 0.283 315 K C -0.910 175.923 176.600 0.389 0.000 1.068 315 K CA -0.042 56.400 56.287 0.258 0.000 1.039 315 K CB 0.323 32.924 32.500 0.168 0.000 0.924 315 K HN 0.653 nan 8.250 nan 0.000 0.468 316 K N 3.048 123.554 120.400 0.176 0.000 2.284 316 K HA 0.122 4.441 4.320 -0.001 0.000 0.287 316 K C 0.029 176.746 176.600 0.195 0.000 1.081 316 K CA -0.133 56.258 56.287 0.174 0.000 0.910 316 K CB 1.694 34.202 32.500 0.014 0.000 1.088 316 K HN 0.659 nan 8.250 nan 0.000 0.478 317 T N 1.426 116.181 114.554 0.336 0.000 2.626 317 T HA 0.299 4.648 4.350 -0.001 0.000 0.285 317 T C -1.357 173.537 174.700 0.324 0.000 1.194 317 T CA -0.617 61.631 62.100 0.247 0.000 1.112 317 T CB 0.583 69.564 68.868 0.189 0.000 1.714 317 T HN 0.402 nan 8.240 nan 0.000 0.457 318 Q N 0.763 120.728 119.800 0.275 0.000 2.257 318 Q HA 0.801 5.141 4.340 -0.001 0.000 0.262 318 Q C -0.527 175.736 176.000 0.439 0.000 0.997 318 Q CA -0.598 55.421 55.803 0.361 0.000 0.873 318 Q CB 1.857 30.810 28.738 0.360 0.000 1.312 318 Q HN 0.715 nan 8.270 nan 0.000 0.450 319 I N -1.678 119.119 120.570 0.379 0.000 2.894 319 I HA 0.676 4.846 4.170 -0.001 0.000 0.302 319 I C -1.642 174.420 176.117 -0.092 0.000 1.188 319 I CA -1.339 60.075 61.300 0.190 0.000 1.014 319 I CB 1.943 39.881 38.000 -0.104 0.000 1.242 319 I HN 0.558 nan 8.210 nan 0.000 0.430 320 L N 6.539 127.535 121.223 -0.377 0.000 2.406 320 L HA 0.755 5.095 4.340 -0.001 0.000 0.272 320 L C -1.337 175.371 176.870 -0.270 0.000 0.980 320 L CA -0.513 53.965 54.840 -0.602 0.000 0.831 320 L CB 1.594 42.781 42.059 -1.453 0.000 1.253 320 L HN 0.807 nan 8.230 nan 0.000 0.406 321 L N 2.311 123.478 121.223 -0.094 0.000 2.491 321 L HA 1.117 5.456 4.340 -0.001 0.000 0.254 321 L C -0.715 176.010 176.870 -0.241 0.000 1.048 321 L CA -0.486 54.328 54.840 -0.043 0.000 0.855 321 L CB 2.005 44.026 42.059 -0.064 0.000 1.466 321 L HN 0.641 nan 8.230 nan 0.000 0.409 322 G N -0.174 108.299 108.800 -0.545 0.000 2.428 322 G HA2 0.595 4.555 3.960 -0.001 0.000 0.304 322 G HA3 0.595 4.555 3.960 -0.001 0.000 0.304 322 G C -1.487 173.087 174.900 -0.543 0.000 1.303 322 G CA 0.025 44.466 45.100 -1.098 0.000 0.825 322 G HN 1.390 nan 8.290 nan 0.000 0.484 323 V N -2.641 117.087 119.914 -0.311 0.000 3.181 323 V HA 0.827 4.947 4.120 -0.001 0.000 0.308 323 V C -1.029 175.129 176.094 0.106 0.000 1.214 323 V CA -1.449 60.868 62.300 0.029 0.000 1.053 323 V CB 1.868 33.745 31.823 0.090 0.000 1.069 323 V HN 0.661 nan 8.190 nan 0.000 0.441 324 N N 0.934 119.721 118.700 0.144 0.000 2.489 324 N HA 0.398 5.138 4.740 -0.001 0.000 0.284 324 N C 0.603 176.047 175.510 -0.110 0.000 1.158 324 N CA -0.441 52.672 53.050 0.105 0.000 0.965 324 N CB 1.802 40.444 38.487 0.258 0.000 1.195 324 N HN 0.930 nan 8.380 nan 0.000 0.506 325 K N 0.213 120.440 120.400 -0.287 0.000 2.032 325 K HA -0.086 4.234 4.320 -0.001 0.000 0.209 325 K C -0.595 176.069 176.600 0.106 0.000 1.048 325 K CA 1.296 57.471 56.287 -0.187 0.000 0.927 325 K CB 0.192 32.626 32.500 -0.110 0.000 0.712 325 K HN 0.503 nan 8.250 nan 0.000 0.441 326 D N 1.256 121.726 120.400 0.116 0.000 2.863 326 D HA 0.041 4.681 4.640 -0.001 0.000 0.323 326 D C 0.164 176.574 176.300 0.185 0.000 1.286 326 D CA -0.059 54.033 54.000 0.154 0.000 0.921 326 D CB 1.200 42.077 40.800 0.129 0.000 1.024 326 D HN 0.191 nan 8.370 nan 0.000 0.505 327 E N 0.362 120.684 120.200 0.204 0.000 2.209 327 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 327 E C 1.899 178.640 176.600 0.235 0.000 0.993 327 E CA 0.611 57.159 56.400 0.246 0.000 0.819 327 E CB 0.243 30.067 29.700 0.206 0.000 0.745 327 E HN 0.421 nan 8.360 nan 0.000 0.477 328 G N 1.462 110.383 108.800 0.201 0.000 2.411 328 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.213 328 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.213 328 G C 1.719 176.781 174.900 0.270 0.000 1.166 328 G CA 0.967 46.205 45.100 0.230 0.000 0.802 328 G HN 0.375 nan 8.290 nan 0.000 0.533 329 S N 0.879 116.694 115.700 0.192 0.000 2.414 329 S HA -0.329 4.141 4.470 -0.001 0.000 0.241 329 S C 2.092 176.711 174.600 0.031 0.000 1.079 329 S CA 1.761 60.042 58.200 0.136 0.000 1.087 329 S CB -0.787 62.425 63.200 0.021 0.000 0.927 329 S HN 0.193 nan 8.310 nan 0.000 0.456 330 F N 1.882 121.743 119.950 -0.149 0.000 2.161 330 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 330 F C 1.762 177.284 175.800 -0.463 0.000 1.089 330 F CA 0.898 58.647 58.000 -0.419 0.000 1.282 330 F CB -0.541 38.064 39.000 -0.658 0.000 1.010 330 F HN 0.208 nan 8.300 nan 0.000 0.485 331 F N -1.054 118.914 119.950 0.031 0.000 2.416 331 F HA 0.011 4.537 4.527 -0.001 0.000 0.296 331 F C 2.082 177.865 175.800 -0.029 0.000 1.099 331 F CA 0.511 58.482 58.000 -0.048 0.000 1.427 331 F CB -0.916 37.970 39.000 -0.191 0.000 1.079 331 F HN -0.139 nan 8.300 nan 0.000 0.536 332 L N -0.684 120.557 121.223 0.031 0.000 2.109 332 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 332 L C 2.438 179.177 176.870 -0.219 0.000 1.086 332 L CA 0.490 55.130 54.840 -0.332 0.000 0.760 332 L CB -0.574 40.941 42.059 -0.907 0.000 0.910 332 L HN 0.154 nan 8.230 nan 0.000 0.437 333 L N -0.834 120.428 121.223 0.065 0.000 2.012 333 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 333 L C 2.323 179.360 176.870 0.278 0.000 1.073 333 L CA 2.087 57.115 54.840 0.312 0.000 0.748 333 L CB -0.711 41.511 42.059 0.272 0.000 0.891 333 L HN 0.127 nan 8.230 nan 0.000 0.431 334 Y N -0.806 119.541 120.300 0.079 0.000 2.395 334 Y HA 0.167 4.716 4.550 -0.001 0.000 0.293 334 Y C 2.315 178.225 175.900 0.017 0.000 1.123 334 Y CA 1.001 59.139 58.100 0.065 0.000 1.227 334 Y CB -0.345 38.140 38.460 0.042 0.000 1.012 334 Y HN 0.294 nan 8.280 nan 0.000 0.552 335 G N -1.746 107.149 108.800 0.159 0.000 2.958 335 G HA2 0.406 4.366 3.960 -0.001 0.000 0.225 335 G HA3 0.406 4.366 3.960 -0.001 0.000 0.225 335 G C 0.056 174.996 174.900 0.066 0.000 1.036 335 G CA 0.382 45.533 45.100 0.086 0.000 0.880 335 G HN 0.270 nan 8.290 nan 0.000 0.557 336 A N 1.911 124.764 122.820 0.054 0.000 2.301 336 A HA 0.729 5.049 4.320 -0.001 0.000 0.312 336 A C -2.363 175.356 177.584 0.226 0.000 1.182 336 A CA -1.477 50.618 52.037 0.096 0.000 0.826 336 A CB 0.767 19.774 19.000 0.012 0.000 1.134 336 A HN 0.088 nan 8.150 nan 0.000 0.501 337 P HA 0.273 nan 4.420 nan 0.000 0.267 337 P C 0.803 178.196 177.300 0.156 0.000 1.205 337 P CA 1.326 64.510 63.100 0.140 0.000 0.765 337 P CB 1.125 32.872 31.700 0.079 0.000 0.828 338 G N 2.539 111.384 108.800 0.076 0.000 2.391 338 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.204 338 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.204 338 G C -0.298 174.447 174.900 -0.257 0.000 1.012 338 G CA -0.584 44.444 45.100 -0.119 0.000 0.651 338 G HN 0.405 nan 8.290 nan 0.000 0.494 339 F N 2.396 122.279 119.950 -0.111 0.000 2.396 339 F HA 0.757 5.284 4.527 -0.001 0.000 0.343 339 F C 0.725 176.521 175.800 -0.006 0.000 1.104 339 F CA -0.337 57.560 58.000 -0.172 0.000 1.161 339 F CB 1.996 40.936 39.000 -0.100 0.000 1.146 339 F HN 0.022 nan 8.300 nan 0.000 0.522 340 S N 1.528 117.338 115.700 0.183 0.000 2.540 340 S HA 0.244 4.713 4.470 -0.001 0.000 0.275 340 S C 0.642 175.472 174.600 0.385 0.000 1.123 340 S CA -1.063 57.276 58.200 0.233 0.000 0.907 340 S CB 2.131 65.388 63.200 0.096 0.000 1.081 340 S HN 0.728 nan 8.310 nan 0.000 0.476 341 K N 0.813 121.378 120.400 0.276 0.000 2.283 341 K HA -0.065 4.255 4.320 -0.001 0.000 0.202 341 K C -0.180 176.480 176.600 0.101 0.000 1.048 341 K CA 1.338 57.705 56.287 0.132 0.000 0.948 341 K CB 0.082 32.403 32.500 -0.299 0.000 0.742 341 K HN 0.427 nan 8.250 nan 0.000 0.458 342 D N 0.105 120.562 120.400 0.095 0.000 2.395 342 D HA 0.029 4.668 4.640 -0.001 0.000 0.213 342 D C -0.148 176.204 176.300 0.087 0.000 1.110 342 D CA 0.107 54.141 54.000 0.058 0.000 0.835 342 D CB 0.861 41.664 40.800 0.005 0.000 0.965 342 D HN 0.183 nan 8.370 nan 0.000 0.505 343 S N -1.212 114.564 115.700 0.127 0.000 2.671 343 S HA 0.364 4.834 4.470 -0.001 0.000 0.299 343 S C 0.757 175.391 174.600 0.057 0.000 1.116 343 S CA -0.756 57.477 58.200 0.055 0.000 0.912 343 S CB 2.242 65.427 63.200 -0.025 0.000 1.130 343 S HN -0.148 nan 8.310 nan 0.000 0.501 344 E N 0.758 120.946 120.200 -0.020 0.000 2.472 344 E HA 0.032 4.381 4.350 -0.001 0.000 0.200 344 E C -0.445 175.911 176.600 -0.408 0.000 1.046 344 E CA 0.412 56.776 56.400 -0.059 0.000 0.871 344 E CB -0.289 29.388 29.700 -0.038 0.000 0.806 344 E HN 0.696 nan 8.360 nan 0.000 0.533 345 S N 1.321 116.736 115.700 -0.476 0.000 3.484 345 S HA -0.186 4.284 4.470 -0.001 0.000 0.384 345 S C -0.353 173.839 174.600 -0.679 0.000 0.932 345 S CA 0.719 58.483 58.200 -0.727 0.000 1.293 345 S CB -1.036 61.371 63.200 -1.323 0.000 0.919 345 S HN 0.258 nan 8.310 nan 0.000 0.540 346 K N 1.263 121.417 120.400 -0.410 0.000 2.276 346 K HA 0.407 4.727 4.320 -0.001 0.000 0.283 346 K C 0.304 176.704 176.600 -0.333 0.000 1.044 346 K CA -0.444 55.655 56.287 -0.313 0.000 0.944 346 K CB 0.558 32.945 32.500 -0.188 0.000 1.012 346 K HN 0.219 nan 8.250 nan 0.000 0.472 347 I N 2.455 122.840 120.570 -0.309 0.000 2.392 347 I HA 0.101 4.271 4.170 -0.001 0.000 0.295 347 I C 0.955 177.005 176.117 -0.112 0.000 0.985 347 I CA -0.400 60.756 61.300 -0.240 0.000 1.221 347 I CB 1.221 39.085 38.000 -0.227 0.000 1.366 347 I HN 0.694 nan 8.210 nan 0.000 0.467 348 S N 6.618 122.274 115.700 -0.073 0.000 2.655 348 S HA 0.381 4.851 4.470 -0.001 0.000 0.265 348 S C 1.214 175.826 174.600 0.019 0.000 1.240 348 S CA -0.562 57.615 58.200 -0.038 0.000 0.986 348 S CB 1.469 64.652 63.200 -0.028 0.000 0.985 348 S HN 0.509 nan 8.310 nan 0.000 0.562 349 R N 1.232 121.740 120.500 0.012 0.000 2.081 349 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 349 R C 2.250 178.629 176.300 0.131 0.000 1.131 349 R CA 1.718 57.852 56.100 0.056 0.000 0.960 349 R CB -0.905 29.416 30.300 0.035 0.000 0.856 349 R HN 0.842 nan 8.270 nan 0.000 0.436 350 E N 0.717 120.967 120.200 0.082 0.000 2.031 350 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 350 E C 1.457 178.111 176.600 0.089 0.000 0.994 350 E CA 1.092 57.540 56.400 0.079 0.000 0.800 350 E CB -0.462 29.266 29.700 0.047 0.000 0.752 350 E HN 0.283 nan 8.360 nan 0.000 0.447 351 D N 0.259 120.705 120.400 0.076 0.000 2.219 351 D HA -0.090 4.549 4.640 -0.001 0.000 0.205 351 D C 1.694 178.066 176.300 0.121 0.000 0.970 351 D CA 0.415 54.460 54.000 0.075 0.000 0.851 351 D CB -0.410 40.408 40.800 0.029 0.000 0.943 351 D HN 0.108 nan 8.370 nan 0.000 0.488 352 F N 1.224 121.181 119.950 0.012 0.000 2.075 352 F HA -0.141 4.385 4.527 -0.001 0.000 0.297 352 F C 2.295 178.121 175.800 0.044 0.000 1.113 352 F CA 1.362 59.379 58.000 0.028 0.000 1.218 352 F CB -0.257 38.739 39.000 -0.007 0.000 0.984 352 F HN -0.178 nan 8.300 nan 0.000 0.472 353 M N -0.572 119.093 119.600 0.108 0.000 2.296 353 M HA -0.180 4.300 4.480 -0.001 0.000 0.265 353 M C 2.183 178.457 176.300 -0.043 0.000 1.064 353 M CA 1.436 56.741 55.300 0.009 0.000 1.109 353 M CB -0.501 32.179 32.600 0.132 0.000 1.396 353 M HN 0.087 nan 8.290 nan 0.000 0.430 354 S N 0.575 116.272 115.700 -0.004 0.000 2.368 354 S HA -0.071 4.399 4.470 -0.001 0.000 0.224 354 S C 2.031 176.611 174.600 -0.034 0.000 1.029 354 S CA 1.384 59.583 58.200 -0.001 0.000 0.988 354 S CB -0.690 62.528 63.200 0.029 0.000 0.838 354 S HN 0.687 nan 8.310 nan 0.000 0.462 355 G N 1.323 110.085 108.800 -0.063 0.000 2.418 355 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.217 355 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.217 355 G C 1.422 176.223 174.900 -0.165 0.000 1.158 355 G CA 0.947 45.995 45.100 -0.087 0.000 0.771 355 G HN 0.426 nan 8.290 nan 0.000 0.545 356 V N 0.811 120.558 119.914 -0.278 0.000 2.490 356 V HA -0.124 3.996 4.120 -0.001 0.000 0.250 356 V C 2.663 178.681 176.094 -0.126 0.000 1.061 356 V CA 2.142 64.300 62.300 -0.236 0.000 1.064 356 V CB -0.260 31.397 31.823 -0.277 0.000 0.670 356 V HN 0.357 nan 8.190 nan 0.000 0.461 357 K N 0.210 120.552 120.400 -0.098 0.000 2.103 357 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 357 K C 1.734 178.295 176.600 -0.066 0.000 1.052 357 K CA 1.414 57.657 56.287 -0.074 0.000 0.945 357 K CB -0.402 32.071 32.500 -0.044 0.000 0.722 357 K HN 0.267 nan 8.250 nan 0.000 0.443 358 L N 0.434 121.630 121.223 -0.046 0.000 2.217 358 L HA 0.030 4.370 4.340 -0.001 0.000 0.211 358 L C 1.943 178.804 176.870 -0.016 0.000 1.107 358 L CA 1.408 56.238 54.840 -0.016 0.000 0.783 358 L CB -0.485 41.575 42.059 0.002 0.000 0.919 358 L HN 0.105 nan 8.230 nan 0.000 0.442 359 S N -1.744 113.928 115.700 -0.047 0.000 2.425 359 S HA 0.078 4.548 4.470 -0.001 0.000 0.225 359 S C 0.935 175.502 174.600 -0.056 0.000 1.024 359 S CA 0.306 58.483 58.200 -0.039 0.000 0.951 359 S CB 0.291 63.446 63.200 -0.075 0.000 0.796 359 S HN 0.111 nan 8.310 nan 0.000 0.498 360 V N 3.955 123.798 119.914 -0.118 0.000 2.271 360 V HA 0.213 4.332 4.120 -0.001 0.000 0.259 360 V C -1.691 174.257 176.094 -0.244 0.000 1.030 360 V CA -1.398 60.767 62.300 -0.226 0.000 0.957 360 V CB 0.830 32.497 31.823 -0.259 0.000 1.186 360 V HN 0.226 nan 8.190 nan 0.000 0.471 361 P HA -0.177 nan 4.420 nan 0.000 0.221 361 P C 0.925 177.845 177.300 -0.633 0.000 1.145 361 P CA 1.445 64.382 63.100 -0.272 0.000 0.795 361 P CB 0.061 31.715 31.700 -0.077 0.000 0.775 362 H N -1.282 117.485 119.070 -0.505 0.000 2.517 362 H HA 0.572 5.128 4.556 -0.001 0.000 0.282 362 H C 0.161 175.316 175.328 -0.288 0.000 1.023 362 H CA -0.515 55.237 56.048 -0.493 0.000 1.169 362 H CB -0.366 29.268 29.762 -0.214 0.000 1.454 362 H HN -0.029 nan 8.280 nan 0.000 0.556 363 A N 1.977 124.484 122.820 -0.521 0.000 2.312 363 A HA 0.362 4.682 4.320 -0.001 0.000 0.326 363 A C 0.139 177.588 177.584 -0.225 0.000 1.172 363 A CA -0.797 51.016 52.037 -0.373 0.000 0.821 363 A CB 0.847 19.619 19.000 -0.380 0.000 1.166 363 A HN 0.590 nan 8.150 nan 0.000 0.493 364 N N 1.306 119.912 118.700 -0.158 0.000 2.294 364 N HA 0.081 4.821 4.740 -0.001 0.000 0.248 364 N C -0.025 175.437 175.510 -0.080 0.000 1.300 364 N CA -0.287 52.703 53.050 -0.101 0.000 0.925 364 N CB 0.189 38.631 38.487 -0.074 0.000 1.188 364 N HN 0.476 nan 8.380 nan 0.000 0.512 365 D N -1.031 119.340 120.400 -0.049 0.000 2.221 365 D HA -0.117 4.523 4.640 -0.001 0.000 0.204 365 D C 1.606 177.897 176.300 -0.015 0.000 0.982 365 D CA 0.616 54.600 54.000 -0.026 0.000 0.857 365 D CB -0.155 40.638 40.800 -0.012 0.000 0.934 365 D HN 0.469 nan 8.370 nan 0.000 0.475 366 L N 0.333 121.542 121.223 -0.023 0.000 2.056 366 L HA 0.061 4.401 4.340 -0.001 0.000 0.207 366 L C 2.144 179.011 176.870 -0.006 0.000 1.078 366 L CA 1.976 56.811 54.840 -0.009 0.000 0.749 366 L CB -0.951 41.094 42.059 -0.022 0.000 0.901 366 L HN 0.049 nan 8.230 nan 0.000 0.433 367 G N -0.409 108.359 108.800 -0.052 0.000 2.402 367 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.216 367 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.216 367 G C 1.614 176.506 174.900 -0.014 0.000 1.162 367 G CA 0.958 46.017 45.100 -0.069 0.000 0.777 367 G HN 0.431 nan 8.290 nan 0.000 0.539 368 L N 0.547 121.752 121.223 -0.029 0.000 2.127 368 L HA -0.093 4.247 4.340 -0.001 0.000 0.211 368 L C 2.353 179.263 176.870 0.068 0.000 1.089 368 L CA 1.123 55.964 54.840 0.001 0.000 0.757 368 L CB -0.283 41.765 42.059 -0.018 0.000 0.899 368 L HN 0.111 nan 8.230 nan 0.000 0.434 369 D N -0.110 120.335 120.400 0.076 0.000 2.162 369 D HA -0.073 4.566 4.640 -0.001 0.000 0.203 369 D C 2.275 178.669 176.300 0.156 0.000 0.967 369 D CA 1.310 55.381 54.000 0.118 0.000 0.840 369 D CB -0.016 40.838 40.800 0.090 0.000 0.972 369 D HN 0.271 nan 8.370 nan 0.000 0.482 370 A N 0.777 123.698 122.820 0.169 0.000 1.883 370 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 370 A C 2.512 180.240 177.584 0.239 0.000 1.186 370 A CA 1.369 53.566 52.037 0.266 0.000 0.624 370 A CB -0.852 18.381 19.000 0.388 0.000 0.822 370 A HN 0.134 nan 8.150 nan 0.000 0.444 371 V N -0.307 119.758 119.914 0.252 0.000 2.287 371 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 371 V C 2.753 178.977 176.094 0.218 0.000 1.053 371 V CA 2.541 64.958 62.300 0.194 0.000 1.027 371 V CB -1.300 30.646 31.823 0.206 0.000 0.646 371 V HN 0.615 nan 8.190 nan 0.000 0.447 372 T N 0.399 115.093 114.554 0.233 0.000 2.746 372 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 372 T C 1.883 176.764 174.700 0.301 0.000 1.039 372 T CA 1.834 64.136 62.100 0.338 0.000 1.142 372 T CB -0.336 68.740 68.868 0.345 0.000 0.866 372 T HN 0.325 nan 8.240 nan 0.000 0.444 373 L N 1.267 122.650 121.223 0.266 0.000 2.083 373 L HA -0.025 4.315 4.340 -0.001 0.000 0.209 373 L C 2.395 179.323 176.870 0.096 0.000 1.083 373 L CA 1.805 56.821 54.840 0.293 0.000 0.752 373 L CB -0.748 41.433 42.059 0.204 0.000 0.899 373 L HN 0.104 nan 8.230 nan 0.000 0.433 374 Q N -1.393 118.352 119.800 -0.093 0.000 2.224 374 Q HA -0.151 4.188 4.340 -0.001 0.000 0.203 374 Q C 0.701 176.425 176.000 -0.461 0.000 0.970 374 Q CA 1.611 57.170 55.803 -0.407 0.000 0.865 374 Q CB -0.128 28.037 28.738 -0.955 0.000 0.922 374 Q HN 0.689 nan 8.270 nan 0.000 0.445 375 Y N -1.019 119.237 120.300 -0.073 0.000 2.696 375 Y HA 0.361 4.911 4.550 -0.001 0.000 0.260 375 Y C -0.496 175.353 175.900 -0.085 0.000 1.165 375 Y CA -0.290 57.813 58.100 0.006 0.000 1.189 375 Y CB 1.055 39.617 38.460 0.171 0.000 1.180 375 Y HN -0.204 nan 8.280 nan 0.000 0.538 376 T N 0.088 114.545 114.554 -0.162 0.000 2.812 376 T HA 0.117 4.467 4.350 -0.001 0.000 0.282 376 T C -1.115 173.205 174.700 -0.633 0.000 0.990 376 T CA -0.732 61.031 62.100 -0.562 0.000 0.960 376 T CB 1.280 69.547 68.868 -1.002 0.000 0.948 376 T HN 0.008 nan 8.240 nan 0.000 0.438 377 D N 2.013 122.110 120.400 -0.504 0.000 2.468 377 D HA 0.144 4.784 4.640 -0.001 0.000 0.218 377 D C 0.248 176.350 176.300 -0.331 0.000 1.155 377 D CA -0.803 53.014 54.000 -0.305 0.000 0.924 377 D CB 0.168 40.861 40.800 -0.179 0.000 1.029 377 D HN 0.594 nan 8.370 nan 0.000 0.515 378 W N 2.837 124.101 121.300 -0.060 0.000 2.662 378 W HA -0.057 4.603 4.660 -0.001 0.000 0.249 378 W C 1.853 178.345 176.519 -0.045 0.000 1.251 378 W CA 0.064 57.377 57.345 -0.053 0.000 1.277 378 W CB -0.290 29.143 29.460 -0.044 0.000 1.140 378 W HN 0.423 nan 8.180 nan 0.000 0.645 379 M N -0.974 118.682 119.600 0.093 0.000 2.514 379 M HA -0.006 4.474 4.480 -0.001 0.000 0.258 379 M C 0.310 176.619 176.300 0.014 0.000 1.119 379 M CA 1.189 56.524 55.300 0.059 0.000 1.111 379 M CB 0.141 32.760 32.600 0.031 0.000 1.390 379 M HN -0.210 nan 8.290 nan 0.000 0.475 380 D N -0.061 120.318 120.400 -0.036 0.000 3.078 380 D HA -0.005 4.634 4.640 -0.001 0.000 0.363 380 D C 0.627 176.844 176.300 -0.137 0.000 1.391 380 D CA 0.051 54.011 54.000 -0.067 0.000 0.754 380 D CB 0.242 41.003 40.800 -0.066 0.000 1.238 380 D HN 0.193 nan 8.370 nan 0.000 0.500 381 D N -0.501 119.811 120.400 -0.146 0.000 2.228 381 D HA -0.201 4.439 4.640 -0.001 0.000 0.203 381 D C 0.590 176.758 176.300 -0.219 0.000 0.988 381 D CA 0.678 54.518 54.000 -0.267 0.000 0.864 381 D CB 0.072 40.771 40.800 -0.169 0.000 0.928 381 D HN 0.175 nan 8.370 nan 0.000 0.469 382 N N 0.415 119.042 118.700 -0.123 0.000 2.251 382 N HA -0.004 4.736 4.740 -0.001 0.000 0.217 382 N C -0.387 175.062 175.510 -0.103 0.000 1.124 382 N CA -0.168 52.820 53.050 -0.103 0.000 0.843 382 N CB -0.084 38.371 38.487 -0.054 0.000 1.024 382 N HN 0.414 nan 8.380 nan 0.000 0.501 383 N N 0.015 118.641 118.700 -0.122 0.000 2.399 383 N HA 0.072 4.811 4.740 -0.001 0.000 0.259 383 N C 1.460 176.901 175.510 -0.115 0.000 1.160 383 N CA -0.300 52.690 53.050 -0.101 0.000 0.946 383 N CB 0.695 39.125 38.487 -0.095 0.000 1.156 383 N HN 0.049 nan 8.380 nan 0.000 0.489 384 G N 3.735 112.474 108.800 -0.100 0.000 2.450 384 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.220 384 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.220 384 G C 1.269 176.103 174.900 -0.111 0.000 1.130 384 G CA 0.559 45.590 45.100 -0.115 0.000 0.760 384 G HN 0.684 nan 8.290 nan 0.000 0.557 385 I N -0.283 120.240 120.570 -0.078 0.000 2.617 385 I HA -0.041 4.128 4.170 -0.001 0.000 0.256 385 I C 2.692 178.796 176.117 -0.023 0.000 1.167 385 I CA 0.803 62.075 61.300 -0.045 0.000 1.469 385 I CB -0.050 37.940 38.000 -0.017 0.000 1.098 385 I HN 0.141 nan 8.210 nan 0.000 0.436 386 K N 0.506 120.874 120.400 -0.053 0.000 2.116 386 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 386 K C 1.760 178.319 176.600 -0.067 0.000 1.052 386 K CA 0.831 57.085 56.287 -0.054 0.000 0.952 386 K CB -0.022 32.418 32.500 -0.100 0.000 0.729 386 K HN 0.265 nan 8.250 nan 0.000 0.446 387 N N 0.982 119.604 118.700 -0.130 0.000 2.244 387 N HA -0.150 4.590 4.740 -0.001 0.000 0.183 387 N C 1.712 177.320 175.510 0.163 0.000 1.016 387 N CA 0.761 53.735 53.050 -0.126 0.000 0.866 387 N CB -0.071 38.299 38.487 -0.195 0.000 0.980 387 N HN 0.189 nan 8.380 nan 0.000 0.430 388 R N 1.408 121.942 120.500 0.057 0.000 2.062 388 R HA -0.080 4.260 4.340 -0.001 0.000 0.231 388 R C 0.602 177.051 176.300 0.249 0.000 1.136 388 R CA 1.355 57.510 56.100 0.092 0.000 0.948 388 R CB -0.152 30.089 30.300 -0.099 0.000 0.845 388 R HN 0.061 nan 8.270 nan 0.000 0.430 389 D N -0.519 119.996 120.400 0.191 0.000 2.264 389 D HA -0.064 4.575 4.640 -0.001 0.000 0.208 389 D C 1.637 178.078 176.300 0.235 0.000 0.966 389 D CA 1.237 55.370 54.000 0.221 0.000 0.864 389 D CB -0.304 40.598 40.800 0.171 0.000 0.933 389 D HN 0.520 nan 8.370 nan 0.000 0.499 390 G N 0.565 109.514 108.800 0.248 0.000 2.403 390 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.216 390 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.216 390 G C 1.543 176.617 174.900 0.290 0.000 1.154 390 G CA 0.058 45.352 45.100 0.322 0.000 0.784 390 G HN 0.174 nan 8.290 nan 0.000 0.538 391 L N 1.072 122.505 121.223 0.349 0.000 2.056 391 L HA 0.015 4.354 4.340 -0.001 0.000 0.207 391 L C 2.261 179.192 176.870 0.102 0.000 1.078 391 L CA 1.796 56.733 54.840 0.161 0.000 0.749 391 L CB -0.521 41.706 42.059 0.280 0.000 0.901 391 L HN 0.187 nan 8.230 nan 0.000 0.433 392 D N -0.652 119.872 120.400 0.206 0.000 2.123 392 D HA -0.222 4.418 4.640 -0.001 0.000 0.196 392 D C 1.545 177.918 176.300 0.122 0.000 0.992 392 D CA 1.306 55.419 54.000 0.188 0.000 0.833 392 D CB 0.150 41.119 40.800 0.282 0.000 0.954 392 D HN 0.349 nan 8.370 nan 0.000 0.455 393 D N 0.091 120.567 120.400 0.126 0.000 2.117 393 D HA -0.078 4.562 4.640 -0.001 0.000 0.198 393 D C 2.351 178.627 176.300 -0.041 0.000 0.982 393 D CA 0.326 54.402 54.000 0.127 0.000 0.828 393 D CB -0.191 40.782 40.800 0.288 0.000 0.967 393 D HN 0.369 nan 8.370 nan 0.000 0.464 394 I N 0.562 120.957 120.570 -0.291 0.000 2.127 394 I HA -0.262 3.907 4.170 -0.001 0.000 0.241 394 I C 2.431 178.400 176.117 -0.247 0.000 1.075 394 I CA 0.780 61.836 61.300 -0.407 0.000 1.334 394 I CB -0.303 37.452 38.000 -0.408 0.000 1.040 394 I HN -0.097 nan 8.210 nan 0.000 0.405 395 V N 1.078 120.902 119.914 -0.149 0.000 2.332 395 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 395 V C 2.558 178.544 176.094 -0.179 0.000 1.055 395 V CA 2.238 64.463 62.300 -0.125 0.000 1.038 395 V CB -1.530 30.287 31.823 -0.010 0.000 0.651 395 V HN 0.597 nan 8.190 nan 0.000 0.450 396 G N -0.462 108.289 108.800 -0.082 0.000 2.404 396 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.215 396 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.215 396 G C 1.222 176.041 174.900 -0.135 0.000 1.174 396 G CA 0.923 45.988 45.100 -0.059 0.000 0.780 396 G HN 0.492 nan 8.290 nan 0.000 0.537 397 D N -0.066 120.257 120.400 -0.128 0.000 2.084 397 D HA -0.114 4.526 4.640 -0.001 0.000 0.194 397 D C 2.109 178.101 176.300 -0.514 0.000 0.990 397 D CA 1.399 55.297 54.000 -0.171 0.000 0.826 397 D CB -0.520 40.311 40.800 0.051 0.000 0.971 397 D HN 0.442 nan 8.370 nan 0.000 0.453 398 H N 0.393 118.847 119.070 -1.027 0.000 2.423 398 H HA 0.062 4.617 4.556 -0.001 0.000 0.297 398 H C 1.385 176.336 175.328 -0.628 0.000 1.075 398 H CA 1.483 56.811 56.048 -1.200 0.000 1.342 398 H CB 0.113 28.946 29.762 -1.550 0.000 1.395 398 H HN 0.015 nan 8.280 nan 0.000 0.530 399 N N -0.913 117.322 118.700 -0.775 0.000 2.415 399 N HA 0.026 4.766 4.740 -0.001 0.000 0.174 399 N C 0.981 176.229 175.510 -0.438 0.000 1.048 399 N CA 0.990 53.547 53.050 -0.821 0.000 0.895 399 N CB 1.227 38.863 38.487 -1.417 0.000 1.036 399 N HN 0.261 nan 8.380 nan 0.000 0.449 400 V N 0.388 120.126 119.914 -0.293 0.000 3.278 400 V HA 0.163 4.282 4.120 -0.001 0.000 0.215 400 V C 2.007 178.072 176.094 -0.049 0.000 1.287 400 V CA -0.007 62.244 62.300 -0.082 0.000 1.302 400 V CB 0.181 32.019 31.823 0.024 0.000 1.228 400 V HN -0.069 nan 8.190 nan 0.000 0.523 401 I N 1.194 121.747 120.570 -0.028 0.000 2.113 401 I HA -0.257 3.913 4.170 -0.001 0.000 0.238 401 I C 2.893 179.021 176.117 0.018 0.000 1.070 401 I CA 2.115 63.429 61.300 0.023 0.000 1.332 401 I CB -0.596 37.455 38.000 0.084 0.000 1.044 401 I HN 0.605 nan 8.210 nan 0.000 0.402 402 C N 1.707 121.011 119.300 0.006 0.000 2.422 402 C HA -0.027 4.432 4.460 -0.001 0.000 0.279 402 C C 0.572 175.596 174.990 0.057 0.000 1.305 402 C CA 1.258 60.325 59.018 0.080 0.000 1.757 402 C CB -1.962 25.878 27.740 0.167 0.000 1.962 402 C HN 0.296 nan 8.230 nan 0.000 0.499 403 P HA -0.029 nan 4.420 nan 0.000 0.218 403 P C 1.801 179.126 177.300 0.041 0.000 1.152 403 P CA 0.662 63.740 63.100 -0.036 0.000 0.826 403 P CB -0.156 31.434 31.700 -0.183 0.000 0.790 404 L N -1.675 119.555 121.223 0.011 0.000 2.141 404 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 404 L C 2.003 178.922 176.870 0.083 0.000 1.094 404 L CA 1.502 56.365 54.840 0.039 0.000 0.763 404 L CB -0.490 41.565 42.059 -0.006 0.000 0.908 404 L HN -0.105 nan 8.230 nan 0.000 0.437 405 M N -1.265 118.377 119.600 0.069 0.000 2.296 405 M HA -0.181 4.299 4.480 -0.001 0.000 0.265 405 M C 2.120 178.498 176.300 0.131 0.000 1.064 405 M CA 1.394 56.734 55.300 0.067 0.000 1.109 405 M CB -1.335 31.315 32.600 0.082 0.000 1.396 405 M HN 0.406 nan 8.290 nan 0.000 0.430 406 H N -0.365 118.751 119.070 0.078 0.000 2.395 406 H HA -0.121 4.435 4.556 -0.001 0.000 0.299 406 H C 1.762 177.150 175.328 0.100 0.000 1.070 406 H CA 1.624 57.726 56.048 0.089 0.000 1.356 406 H CB -0.152 29.657 29.762 0.078 0.000 1.401 406 H HN 0.224 nan 8.280 nan 0.000 0.524 407 F N 0.027 119.955 119.950 -0.037 0.000 2.084 407 F HA -0.137 4.389 4.527 -0.001 0.000 0.296 407 F C 2.508 178.252 175.800 -0.093 0.000 1.111 407 F CA 1.450 59.385 58.000 -0.109 0.000 1.224 407 F CB -0.992 37.939 39.000 -0.115 0.000 0.991 407 F HN 0.104 nan 8.300 nan 0.000 0.471 408 V N 1.131 120.968 119.914 -0.129 0.000 2.469 408 V HA -0.289 3.830 4.120 -0.001 0.000 0.251 408 V C 2.141 178.144 176.094 -0.151 0.000 1.064 408 V CA 2.579 64.716 62.300 -0.271 0.000 1.066 408 V CB -0.655 30.943 31.823 -0.374 0.000 0.667 408 V HN 0.452 nan 8.190 nan 0.000 0.461 409 N N -0.085 118.589 118.700 -0.044 0.000 2.207 409 N HA -0.068 4.671 4.740 -0.001 0.000 0.182 409 N C 1.809 177.324 175.510 0.009 0.000 1.020 409 N CA 1.127 54.230 53.050 0.088 0.000 0.858 409 N CB -0.238 38.316 38.487 0.111 0.000 0.991 409 N HN 0.437 nan 8.380 nan 0.000 0.427 410 K N 0.423 120.746 120.400 -0.127 0.000 2.097 410 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 410 K C 1.912 178.526 176.600 0.024 0.000 1.050 410 K CA 0.623 56.866 56.287 -0.073 0.000 0.938 410 K CB -0.579 31.806 32.500 -0.191 0.000 0.718 410 K HN 0.302 nan 8.250 nan 0.000 0.442 411 Y N 2.214 122.314 120.300 -0.334 0.000 2.133 411 Y HA -0.203 4.347 4.550 -0.000 0.000 0.287 411 Y C 2.325 178.255 175.900 0.050 0.000 1.134 411 Y CA 1.909 59.811 58.100 -0.331 0.000 1.133 411 Y CB -0.502 37.446 38.460 -0.853 0.000 0.987 411 Y HN -0.009 nan 8.280 nan 0.000 0.502 412 T N 0.771 115.420 114.554 0.159 0.000 2.802 412 T HA -0.281 4.069 4.350 -0.001 0.000 0.269 412 T C 1.820 176.560 174.700 0.067 0.000 1.062 412 T CA 1.832 64.041 62.100 0.182 0.000 1.133 412 T CB -0.331 68.734 68.868 0.328 0.000 0.852 412 T HN 0.299 nan 8.240 nan 0.000 0.485 413 K N -0.402 120.029 120.400 0.051 0.000 2.362 413 K HA -0.030 4.290 4.320 -0.001 0.000 0.200 413 K C 0.658 177.050 176.600 -0.346 0.000 1.046 413 K CA 1.074 57.284 56.287 -0.129 0.000 0.952 413 K CB 0.008 32.421 32.500 -0.146 0.000 0.753 413 K HN 0.389 nan 8.250 nan 0.000 0.466 414 F N -1.144 118.735 119.950 -0.119 0.000 2.817 414 F HA 0.294 4.821 4.527 -0.001 0.000 0.333 414 F C 1.096 176.758 175.800 -0.230 0.000 1.085 414 F CA -0.476 57.415 58.000 -0.181 0.000 1.170 414 F CB 0.368 39.201 39.000 -0.279 0.000 1.066 414 F HN -0.103 nan 8.300 nan 0.000 0.564 415 G N 0.115 108.840 108.800 -0.124 0.000 2.621 415 G HA2 0.048 4.008 3.960 -0.001 0.000 0.271 415 G HA3 0.048 4.008 3.960 -0.001 0.000 0.271 415 G C 0.208 175.146 174.900 0.064 0.000 1.236 415 G CA -0.375 44.666 45.100 -0.098 0.000 0.958 415 G HN 0.253 nan 8.290 nan 0.000 0.512 416 N N -0.225 118.563 118.700 0.145 0.000 2.401 416 N HA 0.326 5.066 4.740 -0.001 0.000 0.264 416 N C 0.159 175.747 175.510 0.130 0.000 1.238 416 N CA 0.388 53.503 53.050 0.108 0.000 0.889 416 N CB 0.229 38.771 38.487 0.092 0.000 1.196 416 N HN 0.939 nan 8.380 nan 0.000 0.511 417 G N 0.597 109.481 108.800 0.141 0.000 2.350 417 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.274 417 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.274 417 G C -1.306 173.630 174.900 0.060 0.000 1.621 417 G CA -0.788 44.357 45.100 0.075 0.000 0.935 417 G HN 0.057 nan 8.290 nan 0.000 0.694 418 T N 1.469 115.930 114.554 -0.155 0.000 2.886 418 T HA 0.686 5.035 4.350 -0.001 0.000 0.292 418 T C -1.332 173.096 174.700 -0.454 0.000 1.012 418 T CA -0.389 61.628 62.100 -0.139 0.000 0.982 418 T CB 1.423 70.317 68.868 0.043 0.000 1.018 418 T HN 0.462 nan 8.240 nan 0.000 0.451 419 Y N 2.039 122.236 120.300 -0.172 0.000 2.329 419 Y HA 0.640 5.189 4.550 -0.001 0.000 0.328 419 Y C -0.579 175.334 175.900 0.022 0.000 0.992 419 Y CA -1.076 56.867 58.100 -0.262 0.000 1.151 419 Y CB 1.428 39.297 38.460 -0.985 0.000 1.150 419 Y HN 0.412 nan 8.280 nan 0.000 0.450 420 L N 5.789 127.315 121.223 0.504 0.000 2.334 420 L HA 0.629 4.969 4.340 -0.001 0.000 0.276 420 L C -1.071 176.240 176.870 0.735 0.000 1.014 420 L CA -1.086 54.008 54.840 0.424 0.000 0.815 420 L CB 0.761 42.895 42.059 0.126 0.000 1.268 420 L HN 0.544 nan 8.230 nan 0.000 0.428 421 Y N 2.964 123.570 120.300 0.510 0.000 2.634 421 Y HA 0.758 5.307 4.550 -0.001 0.000 0.340 421 Y C -1.754 174.434 175.900 0.479 0.000 1.058 421 Y CA -2.026 56.336 58.100 0.436 0.000 1.081 421 Y CB 1.350 40.008 38.460 0.329 0.000 1.295 421 Y HN 0.492 nan 8.280 nan 0.000 0.487 422 F N 3.263 123.553 119.950 0.568 0.000 2.828 422 F HA 0.423 4.949 4.527 -0.001 0.000 0.355 422 F C -1.999 174.104 175.800 0.505 0.000 1.200 422 F CA -1.656 56.593 58.000 0.416 0.000 1.062 422 F CB 0.709 39.954 39.000 0.409 0.000 1.351 422 F HN 0.555 nan 8.300 nan 0.000 0.504 423 F N 7.716 127.764 119.950 0.163 0.000 2.438 423 F HA 0.287 4.813 4.527 -0.001 0.000 0.360 423 F C 0.335 176.014 175.800 -0.202 0.000 1.118 423 F CA -0.142 57.888 58.000 0.051 0.000 1.164 423 F CB 0.487 39.578 39.000 0.151 0.000 1.131 423 F HN 0.524 nan 8.300 nan 0.000 0.527 424 N N 3.843 122.210 118.700 -0.555 0.000 2.610 424 N HA 0.089 4.829 4.740 -0.001 0.000 0.307 424 N C -1.384 173.913 175.510 -0.355 0.000 1.813 424 N CA -0.499 52.328 53.050 -0.371 0.000 0.901 424 N CB -0.427 38.007 38.487 -0.088 0.000 1.354 424 N HN 0.630 nan 8.380 nan 0.000 0.491 425 H N 0.127 118.711 119.070 -0.811 0.000 2.505 425 H HA 0.459 5.015 4.556 -0.001 0.000 0.338 425 H C -0.807 174.407 175.328 -0.190 0.000 1.057 425 H CA -0.632 55.117 56.048 -0.499 0.000 1.202 425 H CB 1.303 30.682 29.762 -0.638 0.000 1.466 425 H HN 0.147 nan 8.280 nan 0.000 0.499 426 R N 4.143 124.266 120.500 -0.628 0.000 2.202 426 R HA 0.551 4.891 4.340 -0.001 0.000 0.334 426 R C -0.493 175.572 176.300 -0.392 0.000 1.036 426 R CA -0.565 55.346 56.100 -0.316 0.000 0.878 426 R CB 0.367 30.568 30.300 -0.165 0.000 1.067 426 R HN 0.806 nan 8.270 nan 0.000 0.457 427 A N 2.862 125.722 122.820 0.067 0.000 2.561 427 A HA -0.016 4.304 4.320 -0.001 0.000 0.234 427 A C 1.277 178.933 177.584 0.121 0.000 1.055 427 A CA 0.545 52.773 52.037 0.318 0.000 0.756 427 A CB 0.313 19.634 19.000 0.535 0.000 0.986 427 A HN 1.004 nan 8.150 nan 0.000 0.505 428 S N 1.095 116.885 115.700 0.150 0.000 2.453 428 S HA -0.145 4.325 4.470 -0.001 0.000 0.231 428 S C 0.870 175.449 174.600 -0.036 0.000 1.005 428 S CA 1.034 59.263 58.200 0.049 0.000 0.949 428 S CB -0.456 62.790 63.200 0.077 0.000 0.774 428 S HN 0.916 nan 8.310 nan 0.000 0.510 429 N N 0.805 119.440 118.700 -0.108 0.000 2.235 429 N HA 0.230 4.970 4.740 -0.001 0.000 0.209 429 N C -0.017 175.417 175.510 -0.127 0.000 1.122 429 N CA -0.320 52.621 53.050 -0.183 0.000 0.845 429 N CB -0.523 37.735 38.487 -0.381 0.000 1.004 429 N HN 0.379 nan 8.380 nan 0.000 0.499 430 L N 1.328 122.521 121.223 -0.049 0.000 2.490 430 L HA -0.001 4.339 4.340 -0.001 0.000 0.274 430 L C 1.388 178.206 176.870 -0.087 0.000 1.201 430 L CA -0.267 54.556 54.840 -0.028 0.000 0.869 430 L CB 0.982 43.039 42.059 -0.003 0.000 1.123 430 L HN 0.146 nan 8.230 nan 0.000 0.484 431 V N -0.376 119.430 119.914 -0.180 0.000 3.506 431 V HA 0.024 4.144 4.120 -0.001 0.000 0.263 431 V C 0.544 176.534 176.094 -0.174 0.000 1.203 431 V CA -0.421 61.722 62.300 -0.262 0.000 1.133 431 V CB -0.863 30.644 31.823 -0.528 0.000 0.802 431 V HN 0.594 nan 8.190 nan 0.000 0.459 432 W N 1.904 123.161 121.300 -0.071 0.000 2.161 432 W HA 0.511 5.170 4.660 -0.000 0.000 0.344 432 W C -1.622 174.769 176.519 -0.214 0.000 1.262 432 W CA -2.030 55.239 57.345 -0.127 0.000 1.270 432 W CB -0.334 28.944 29.460 -0.303 0.000 1.126 432 W HN -0.018 nan 8.180 nan 0.000 0.598 433 P HA -0.071 nan 4.420 nan 0.000 0.270 433 P C 0.366 177.542 177.300 -0.207 0.000 1.227 433 P CA 0.324 63.349 63.100 -0.125 0.000 0.788 433 P CB 0.946 32.567 31.700 -0.131 0.000 0.926 434 E N 0.928 121.088 120.200 -0.067 0.000 2.072 434 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 434 E C 1.935 178.530 176.600 -0.008 0.000 0.985 434 E CA 1.303 57.689 56.400 -0.023 0.000 0.801 434 E CB -0.638 29.094 29.700 0.054 0.000 0.750 434 E HN 0.713 nan 8.360 nan 0.000 0.452 435 W N 0.529 121.861 121.300 0.054 0.000 2.389 435 W HA -0.114 4.546 4.660 -0.001 0.000 0.267 435 W C 1.458 178.025 176.519 0.081 0.000 1.219 435 W CA 0.516 57.903 57.345 0.070 0.000 1.189 435 W CB -0.892 28.614 29.460 0.078 0.000 1.129 435 W HN 0.008 nan 8.180 nan 0.000 0.581 436 M N 1.024 120.288 119.600 -0.559 0.000 2.349 436 M HA 0.130 4.610 4.480 -0.001 0.000 0.266 436 M C 1.817 178.014 176.300 -0.172 0.000 1.076 436 M CA 1.720 56.693 55.300 -0.544 0.000 1.126 436 M CB -0.674 31.413 32.600 -0.854 0.000 1.392 436 M HN 0.154 nan 8.290 nan 0.000 0.440 437 G N 0.447 109.182 108.800 -0.109 0.000 2.527 437 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.268 437 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.268 437 G C -0.195 174.689 174.900 -0.028 0.000 1.175 437 G CA -0.276 44.808 45.100 -0.027 0.000 0.962 437 G HN 0.203 nan 8.290 nan 0.000 0.560 438 V N 2.325 122.255 119.914 0.026 0.000 2.287 438 V HA 0.331 4.451 4.120 -0.001 0.000 0.246 438 V C 1.253 177.430 176.094 0.139 0.000 1.165 438 V CA 0.045 62.396 62.300 0.086 0.000 1.088 438 V CB -0.443 31.426 31.823 0.076 0.000 1.242 438 V HN 0.517 nan 8.190 nan 0.000 0.497 439 I N 2.777 123.404 120.570 0.095 0.000 2.813 439 I HA 0.053 4.222 4.170 -0.001 0.000 0.287 439 I C 1.011 177.351 176.117 0.372 0.000 1.196 439 I CA -0.317 61.065 61.300 0.137 0.000 1.421 439 I CB 0.112 38.034 38.000 -0.130 0.000 1.365 439 I HN 0.558 nan 8.210 nan 0.000 0.591 440 H N 4.377 123.596 119.070 0.248 0.000 3.125 440 H HA 0.105 4.661 4.556 -0.001 0.000 0.310 440 H C 1.086 176.518 175.328 0.173 0.000 0.980 440 H CA 0.956 57.120 56.048 0.194 0.000 1.422 440 H CB 0.212 30.049 29.762 0.125 0.000 1.432 440 H HN 0.765 nan 8.280 nan 0.000 0.577 441 G N 3.670 112.347 108.800 -0.204 0.000 2.184 441 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.264 441 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.264 441 G C 0.632 175.562 174.900 0.050 0.000 0.975 441 G CA 0.621 45.595 45.100 -0.210 0.000 0.642 441 G HN 0.661 nan 8.290 nan 0.000 0.536 442 Y N 1.285 121.709 120.300 0.207 0.000 2.471 442 Y HA 0.211 4.761 4.550 -0.001 0.000 0.286 442 Y C 2.338 178.383 175.900 0.242 0.000 1.188 442 Y CA 0.973 59.262 58.100 0.316 0.000 1.286 442 Y CB 0.377 39.055 38.460 0.365 0.000 1.072 442 Y HN 0.524 nan 8.280 nan 0.000 0.517 443 E N -0.084 120.154 120.200 0.063 0.000 2.400 443 E HA -0.058 4.292 4.350 -0.001 0.000 0.195 443 E C 1.677 178.246 176.600 -0.051 0.000 1.012 443 E CA 0.608 56.750 56.400 -0.430 0.000 0.875 443 E CB -0.502 28.678 29.700 -0.867 0.000 0.859 443 E HN 0.512 nan 8.360 nan 0.000 0.498 444 I N 2.733 123.372 120.570 0.115 0.000 2.151 444 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 444 I C 2.616 178.830 176.117 0.162 0.000 1.080 444 I CA 2.167 63.590 61.300 0.206 0.000 1.339 444 I CB -0.525 37.642 38.000 0.278 0.000 1.039 444 I HN 0.211 nan 8.210 nan 0.000 0.409 445 E N 0.969 121.210 120.200 0.068 0.000 2.219 445 E HA -0.246 4.104 4.350 -0.001 0.000 0.198 445 E C 2.002 178.466 176.600 -0.228 0.000 0.998 445 E CA 1.558 57.897 56.400 -0.101 0.000 0.818 445 E CB -0.553 29.055 29.700 -0.154 0.000 0.741 445 E HN 0.456 nan 8.360 nan 0.000 0.477 446 F N 1.066 120.926 119.950 -0.149 0.000 2.293 446 F HA -0.021 4.506 4.527 -0.001 0.000 0.297 446 F C 2.366 178.007 175.800 -0.266 0.000 1.089 446 F CA 0.474 58.344 58.000 -0.216 0.000 1.377 446 F CB -0.210 38.681 39.000 -0.183 0.000 1.051 446 F HN -0.139 nan 8.300 nan 0.000 0.511 447 V N -0.954 118.905 119.914 -0.090 0.000 2.427 447 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 447 V C 1.686 177.615 176.094 -0.274 0.000 1.051 447 V CA 1.627 63.749 62.300 -0.297 0.000 1.048 447 V CB -0.620 31.077 31.823 -0.210 0.000 0.666 447 V HN 0.204 nan 8.190 nan 0.000 0.456 448 F N 0.408 120.254 119.950 -0.173 0.000 2.765 448 F HA 0.410 4.937 4.527 -0.001 0.000 0.302 448 F C 1.800 177.518 175.800 -0.137 0.000 1.111 448 F CA 0.561 58.480 58.000 -0.135 0.000 1.359 448 F CB -0.343 38.567 39.000 -0.150 0.000 1.097 448 F HN 0.253 nan 8.300 nan 0.000 0.577 449 G N 0.527 109.260 108.800 -0.112 0.000 2.221 449 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.265 449 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.265 449 G C 1.042 175.641 174.900 -0.501 0.000 1.041 449 G CA 0.293 45.240 45.100 -0.256 0.000 0.807 449 G HN 0.251 nan 8.290 nan 0.000 0.502 450 L N -0.534 120.372 121.223 -0.529 0.000 2.265 450 L HA -0.034 4.306 4.340 -0.001 0.000 0.215 450 L C 0.277 176.736 176.870 -0.686 0.000 1.117 450 L CA 2.253 56.722 54.840 -0.618 0.000 0.782 450 L CB -1.825 40.005 42.059 -0.382 0.000 0.914 450 L HN 0.209 nan 8.230 nan 0.000 0.441 451 P HA -0.111 nan 4.420 nan 0.000 0.222 451 P C 2.012 179.077 177.300 -0.392 0.000 1.147 451 P CA 0.871 63.407 63.100 -0.940 0.000 0.790 451 P CB 0.101 31.222 31.700 -0.966 0.000 0.780 452 L N -1.502 119.497 121.223 -0.373 0.000 2.291 452 L HA -0.015 4.325 4.340 -0.001 0.000 0.214 452 L C 1.195 177.950 176.870 -0.193 0.000 1.120 452 L CA 0.511 55.212 54.840 -0.231 0.000 0.799 452 L CB -0.557 41.385 42.059 -0.195 0.000 0.925 452 L HN -0.102 nan 8.230 nan 0.000 0.446 453 V N 1.796 121.550 119.914 -0.267 0.000 2.339 453 V HA 0.084 4.203 4.120 -0.001 0.000 0.261 453 V C 1.336 177.391 176.094 -0.065 0.000 1.058 453 V CA -0.603 61.601 62.300 -0.159 0.000 0.897 453 V CB 0.552 32.254 31.823 -0.202 0.000 1.052 453 V HN 0.209 nan 8.190 nan 0.000 0.480 454 K N 4.698 125.075 120.400 -0.038 0.000 2.044 454 K HA -0.245 4.074 4.320 -0.001 0.000 0.224 454 K C 1.725 178.318 176.600 -0.013 0.000 1.056 454 K CA 2.335 58.614 56.287 -0.013 0.000 0.962 454 K CB -0.610 31.880 32.500 -0.017 0.000 0.730 454 K HN 0.910 nan 8.250 nan 0.000 0.453 455 E N 1.227 121.413 120.200 -0.024 0.000 2.352 455 E HA -0.193 4.157 4.350 -0.001 0.000 0.203 455 E C 2.049 178.621 176.600 -0.047 0.000 1.024 455 E CA 0.954 57.333 56.400 -0.034 0.000 0.842 455 E CB -0.724 28.957 29.700 -0.032 0.000 0.753 455 E HN 0.434 nan 8.360 nan 0.000 0.508 456 L N 0.399 121.604 121.223 -0.030 0.000 2.554 456 L HA 0.011 4.351 4.340 -0.001 0.000 0.226 456 L C -0.230 176.538 176.870 -0.171 0.000 1.137 456 L CA 0.049 54.855 54.840 -0.057 0.000 0.863 456 L CB -0.511 41.586 42.059 0.064 0.000 0.985 456 L HN 0.004 nan 8.230 nan 0.000 0.451 457 N N -0.810 117.830 118.700 -0.101 0.000 2.753 457 N HA -0.209 4.531 4.740 -0.001 0.000 0.252 457 N C -0.981 174.397 175.510 -0.220 0.000 1.071 457 N CA 0.777 53.742 53.050 -0.143 0.000 0.690 457 N CB -1.789 36.594 38.487 -0.174 0.000 0.906 457 N HN 0.264 nan 8.380 nan 0.000 0.552 458 Y N -0.169 120.096 120.300 -0.057 0.000 2.496 458 Y HA 0.457 5.007 4.550 -0.001 0.000 0.331 458 Y C 1.579 177.475 175.900 -0.006 0.000 1.140 458 Y CA -0.437 57.643 58.100 -0.033 0.000 1.166 458 Y CB 1.010 39.420 38.460 -0.082 0.000 1.249 458 Y HN 0.155 nan 8.280 nan 0.000 0.479 459 T N -1.642 113.037 114.554 0.209 0.000 2.828 459 T HA 0.380 4.730 4.350 -0.001 0.000 0.290 459 T C 1.209 175.972 174.700 0.104 0.000 1.019 459 T CA -0.183 61.993 62.100 0.128 0.000 1.031 459 T CB 1.263 70.209 68.868 0.130 0.000 1.001 459 T HN 0.795 nan 8.240 nan 0.000 0.531 460 A N 1.333 124.189 122.820 0.061 0.000 1.940 460 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 460 A C 2.320 179.921 177.584 0.030 0.000 1.176 460 A CA 1.461 53.519 52.037 0.035 0.000 0.631 460 A CB -0.727 18.286 19.000 0.022 0.000 0.814 460 A HN 0.952 nan 8.150 nan 0.000 0.446 461 E N 0.483 120.706 120.200 0.037 0.000 2.208 461 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 461 E C 1.453 178.065 176.600 0.021 0.000 0.988 461 E CA 1.154 57.562 56.400 0.013 0.000 0.828 461 E CB -0.575 29.125 29.700 -0.001 0.000 0.763 461 E HN 0.788 nan 8.360 nan 0.000 0.478 462 E N 1.131 121.388 120.200 0.094 0.000 2.107 462 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 462 E C 2.089 178.750 176.600 0.101 0.000 0.982 462 E CA 1.110 57.631 56.400 0.202 0.000 0.809 462 E CB -0.039 29.886 29.700 0.376 0.000 0.756 462 E HN 0.472 nan 8.360 nan 0.000 0.459 463 E N 1.054 121.262 120.200 0.013 0.000 2.150 463 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 463 E C 1.966 178.543 176.600 -0.038 0.000 0.985 463 E CA 0.927 57.289 56.400 -0.063 0.000 0.814 463 E CB -0.023 29.643 29.700 -0.056 0.000 0.752 463 E HN 0.179 nan 8.360 nan 0.000 0.466 464 A N 1.088 123.899 122.820 -0.016 0.000 1.930 464 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 464 A C 2.146 179.713 177.584 -0.028 0.000 1.175 464 A CA 1.171 53.190 52.037 -0.030 0.000 0.627 464 A CB -0.568 18.415 19.000 -0.028 0.000 0.815 464 A HN 0.404 nan 8.150 nan 0.000 0.443 465 L N -0.479 120.748 121.223 0.007 0.000 2.093 465 L HA -0.035 4.304 4.340 -0.001 0.000 0.208 465 L C 2.510 179.423 176.870 0.072 0.000 1.085 465 L CA 2.396 57.247 54.840 0.018 0.000 0.755 465 L CB -0.696 41.361 42.059 -0.003 0.000 0.904 465 L HN 0.308 nan 8.230 nan 0.000 0.435 466 S N -0.680 115.099 115.700 0.131 0.000 2.368 466 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 466 S C 2.181 176.749 174.600 -0.054 0.000 1.030 466 S CA 1.272 59.510 58.200 0.063 0.000 0.999 466 S CB -0.181 62.955 63.200 -0.105 0.000 0.844 466 S HN 0.526 nan 8.310 nan 0.000 0.459 467 R N 0.206 120.666 120.500 -0.067 0.000 2.092 467 R HA 0.089 4.428 4.340 -0.001 0.000 0.231 467 R C 2.737 178.973 176.300 -0.107 0.000 1.119 467 R CA 1.121 57.172 56.100 -0.083 0.000 0.970 467 R CB -0.212 30.037 30.300 -0.086 0.000 0.864 467 R HN 0.342 nan 8.270 nan 0.000 0.440 468 R N 0.518 120.934 120.500 -0.141 0.000 2.080 468 R HA -0.097 4.242 4.340 -0.001 0.000 0.236 468 R C 2.293 178.398 176.300 -0.325 0.000 1.137 468 R CA 1.542 57.472 56.100 -0.284 0.000 0.943 468 R CB -0.335 29.824 30.300 -0.235 0.000 0.846 468 R HN 0.195 nan 8.270 nan 0.000 0.431 469 I N 0.330 120.824 120.570 -0.126 0.000 2.226 469 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 469 I C 2.471 178.507 176.117 -0.136 0.000 1.100 469 I CA 1.335 62.575 61.300 -0.100 0.000 1.374 469 I CB -0.143 37.644 38.000 -0.355 0.000 1.057 469 I HN 0.259 nan 8.210 nan 0.000 0.413 470 M N -0.630 118.884 119.600 -0.144 0.000 2.213 470 M HA -0.255 4.224 4.480 -0.001 0.000 0.263 470 M C 2.258 178.595 176.300 0.061 0.000 1.062 470 M CA 1.644 56.892 55.300 -0.087 0.000 1.105 470 M CB -0.396 32.154 32.600 -0.083 0.000 1.385 470 M HN 0.267 nan 8.290 nan 0.000 0.417 471 H N -1.046 117.996 119.070 -0.046 0.000 2.448 471 H HA -0.078 4.477 4.556 -0.000 0.000 0.292 471 H C 1.356 176.771 175.328 0.145 0.000 1.035 471 H CA 1.614 57.654 56.048 -0.014 0.000 1.349 471 H CB 0.201 29.892 29.762 -0.118 0.000 1.425 471 H HN 0.266 nan 8.280 nan 0.000 0.539 472 Y N -0.824 119.636 120.300 0.267 0.000 2.109 472 Y HA -0.202 4.348 4.550 -0.001 0.000 0.285 472 Y C 2.452 178.576 175.900 0.373 0.000 1.131 472 Y CA 1.093 59.410 58.100 0.362 0.000 1.121 472 Y CB -1.081 37.801 38.460 0.703 0.000 0.987 472 Y HN 0.323 nan 8.280 nan 0.000 0.495 473 W N -0.330 121.073 121.300 0.172 0.000 2.335 473 W HA -0.262 4.398 4.660 -0.000 0.000 0.311 473 W C 2.564 179.075 176.519 -0.013 0.000 1.213 473 W CA 1.056 58.425 57.345 0.040 0.000 1.274 473 W CB -0.471 28.939 29.460 -0.085 0.000 1.148 473 W HN 0.075 nan 8.180 nan 0.000 0.498 474 A N -0.022 122.904 122.820 0.177 0.000 1.898 474 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 474 A C 1.804 179.360 177.584 -0.047 0.000 1.181 474 A CA 2.162 54.209 52.037 0.017 0.000 0.620 474 A CB -1.214 17.776 19.000 -0.016 0.000 0.819 474 A HN 0.188 nan 8.150 nan 0.000 0.442 475 T N -0.830 113.659 114.554 -0.109 0.000 2.867 475 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 475 T C 1.560 176.221 174.700 -0.066 0.000 1.057 475 T CA 1.493 63.497 62.100 -0.161 0.000 1.136 475 T CB -0.335 68.378 68.868 -0.258 0.000 0.874 475 T HN 0.494 nan 8.240 nan 0.000 0.466 476 F N 2.173 122.029 119.950 -0.157 0.000 2.163 476 F HA 0.189 4.715 4.527 -0.001 0.000 0.297 476 F C 2.404 178.116 175.800 -0.148 0.000 1.094 476 F CA 0.715 58.587 58.000 -0.213 0.000 1.290 476 F CB -0.659 38.149 39.000 -0.321 0.000 1.017 476 F HN 0.123 nan 8.300 nan 0.000 0.483 477 A N 0.391 123.103 122.820 -0.180 0.000 1.940 477 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 477 A C 2.207 179.650 177.584 -0.235 0.000 1.176 477 A CA 2.013 53.910 52.037 -0.234 0.000 0.631 477 A CB -0.623 18.322 19.000 -0.092 0.000 0.814 477 A HN 0.501 nan 8.150 nan 0.000 0.446 478 K N -1.288 119.005 120.400 -0.178 0.000 2.098 478 K HA -0.039 4.281 4.320 -0.001 0.000 0.203 478 K C 2.008 178.513 176.600 -0.158 0.000 1.051 478 K CA 1.627 57.832 56.287 -0.136 0.000 0.957 478 K CB -0.095 32.349 32.500 -0.094 0.000 0.738 478 K HN 0.654 nan 8.250 nan 0.000 0.447 479 T N -3.935 110.505 114.554 -0.190 0.000 2.985 479 T HA 0.231 4.581 4.350 -0.001 0.000 0.254 479 T C 1.308 175.889 174.700 -0.199 0.000 1.021 479 T CA 0.424 62.429 62.100 -0.158 0.000 0.957 479 T CB 0.916 69.724 68.868 -0.101 0.000 1.047 479 T HN 0.297 nan 8.240 nan 0.000 0.511 480 G N 1.431 109.991 108.800 -0.401 0.000 2.157 480 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.248 480 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.248 480 G C -0.178 174.715 174.900 -0.012 0.000 0.979 480 G CA 0.045 44.901 45.100 -0.407 0.000 0.650 480 G HN 0.856 nan 8.290 nan 0.000 0.529 481 N N -0.347 118.333 118.700 -0.033 0.000 2.425 481 N HA 0.410 5.149 4.740 -0.001 0.000 0.289 481 N C -1.910 173.502 175.510 -0.163 0.000 1.074 481 N CA -1.370 51.617 53.050 -0.106 0.000 0.905 481 N CB 2.444 40.931 38.487 0.000 0.000 1.586 481 N HN -0.066 nan 8.380 nan 0.000 0.490 482 P HA -0.016 nan 4.420 nan 0.000 0.233 482 P C -0.484 176.884 177.300 0.114 0.000 1.167 482 P CA 0.511 63.505 63.100 -0.177 0.000 0.770 482 P CB 0.360 31.693 31.700 -0.611 0.000 0.837 483 N N 1.262 119.985 118.700 0.039 0.000 2.509 483 N HA 0.118 4.858 4.740 -0.001 0.000 0.287 483 N C 0.248 175.822 175.510 0.106 0.000 1.121 483 N CA -0.294 52.857 53.050 0.168 0.000 0.977 483 N CB 1.041 39.627 38.487 0.166 0.000 1.167 483 N HN 0.007 nan 8.380 nan 0.000 0.476 484 E N 1.985 122.277 120.200 0.153 0.000 2.324 484 E HA 0.082 4.431 4.350 -0.001 0.000 0.271 484 E C -1.323 175.294 176.600 0.029 0.000 1.028 484 E CA -1.416 55.049 56.400 0.109 0.000 0.890 484 E CB 0.760 30.566 29.700 0.176 0.000 1.004 484 E HN 0.330 nan 8.360 nan 0.000 0.431 485 P HA -0.198 nan 4.420 nan 0.000 0.212 485 P C 0.308 177.423 177.300 -0.309 0.000 1.128 485 P CA 1.673 64.604 63.100 -0.281 0.000 0.961 485 P CB 0.118 31.550 31.700 -0.446 0.000 0.782 486 H N -1.996 117.114 119.070 0.067 0.000 2.507 486 H HA 0.366 4.922 4.556 -0.001 0.000 0.271 486 H C 0.463 175.830 175.328 0.064 0.000 1.224 486 H CA -0.350 55.734 56.048 0.060 0.000 1.000 486 H CB -0.282 29.508 29.762 0.047 0.000 1.663 486 H HN 0.076 nan 8.280 nan 0.000 0.548 487 S N 0.464 116.247 115.700 0.139 0.000 2.614 487 S HA 0.057 4.527 4.470 -0.001 0.000 0.265 487 S C 1.202 175.868 174.600 0.110 0.000 1.303 487 S CA -0.297 57.974 58.200 0.119 0.000 1.000 487 S CB 1.150 64.423 63.200 0.122 0.000 0.935 487 S HN 0.344 nan 8.310 nan 0.000 0.551 488 Q N 0.533 120.385 119.800 0.086 0.000 2.281 488 Q HA 0.288 4.628 4.340 -0.001 0.000 0.215 488 Q C 0.060 176.103 176.000 0.072 0.000 0.867 488 Q CA 0.153 56.000 55.803 0.073 0.000 0.940 488 Q CB 0.077 28.847 28.738 0.053 0.000 1.111 488 Q HN 0.631 nan 8.270 nan 0.000 0.513 489 E N 1.058 121.308 120.200 0.083 0.000 2.421 489 E HA 0.153 4.502 4.350 -0.001 0.000 0.253 489 E C -0.102 176.568 176.600 0.116 0.000 1.277 489 E CA -0.051 56.403 56.400 0.090 0.000 0.968 489 E CB 0.445 30.205 29.700 0.100 0.000 1.040 489 E HN -0.122 nan 8.360 nan 0.000 0.512 490 S N 1.002 116.778 115.700 0.127 0.000 2.564 490 S HA 0.105 4.574 4.470 -0.001 0.000 0.278 490 S C 0.110 174.830 174.600 0.200 0.000 1.333 490 S CA -0.396 57.885 58.200 0.135 0.000 1.048 490 S CB 0.424 63.690 63.200 0.110 0.000 0.900 490 S HN 0.134 nan 8.310 nan 0.000 0.505 491 K N 2.346 122.858 120.400 0.186 0.000 2.227 491 K HA 0.118 4.438 4.320 -0.001 0.000 0.280 491 K C -0.452 176.328 176.600 0.299 0.000 1.041 491 K CA -0.426 56.006 56.287 0.241 0.000 0.905 491 K CB 0.612 33.230 32.500 0.195 0.000 1.068 491 K HN 0.675 nan 8.250 nan 0.000 0.470 492 W N 7.759 129.135 121.300 0.127 0.000 2.659 492 W HA 0.098 4.758 4.660 -0.000 0.000 0.342 492 W C -2.123 174.518 176.519 0.204 0.000 1.287 492 W CA -2.385 55.024 57.345 0.106 0.000 1.460 492 W CB -0.448 28.994 29.460 -0.031 0.000 1.503 492 W HN 0.409 nan 8.180 nan 0.000 0.483 493 P HA -0.065 nan 4.420 nan 0.000 0.269 493 P C -0.482 177.033 177.300 0.359 0.000 1.217 493 P CA -0.244 63.069 63.100 0.356 0.000 0.783 493 P CB 1.319 33.157 31.700 0.230 0.000 0.898 494 L N 2.498 123.806 121.223 0.142 0.000 2.395 494 L HA 0.369 4.708 4.340 -0.001 0.000 0.269 494 L C -0.199 176.688 176.870 0.028 0.000 1.133 494 L CA -0.547 54.221 54.840 -0.120 0.000 0.812 494 L CB -0.179 41.788 42.059 -0.153 0.000 1.125 494 L HN 0.226 nan 8.230 nan 0.000 0.452 495 F N 3.474 123.333 119.950 -0.151 0.000 2.404 495 F HA 0.561 5.088 4.527 -0.001 0.000 0.345 495 F C 0.099 175.876 175.800 -0.040 0.000 1.110 495 F CA -0.086 57.904 58.000 -0.017 0.000 1.130 495 F CB 0.904 39.916 39.000 0.021 0.000 1.129 495 F HN 0.642 nan 8.300 nan 0.000 0.500 496 T N 1.016 115.284 114.554 -0.476 0.000 2.907 496 T HA 0.262 4.612 4.350 -0.001 0.000 0.292 496 T C 0.757 175.171 174.700 -0.476 0.000 1.043 496 T CA -0.484 61.428 62.100 -0.313 0.000 1.003 496 T CB 1.494 70.254 68.868 -0.180 0.000 1.084 496 T HN 0.539 nan 8.240 nan 0.000 0.483 497 T N 0.951 115.374 114.554 -0.219 0.000 2.737 497 T HA -0.130 4.220 4.350 -0.001 0.000 0.269 497 T C 1.724 176.319 174.700 -0.175 0.000 1.040 497 T CA 1.765 63.772 62.100 -0.156 0.000 1.142 497 T CB -0.262 68.564 68.868 -0.070 0.000 0.861 497 T HN 0.736 nan 8.240 nan 0.000 0.456 498 K N 0.611 120.916 120.400 -0.158 0.000 1.975 498 K HA -0.106 4.214 4.320 -0.001 0.000 0.210 498 K C 2.352 178.872 176.600 -0.134 0.000 1.041 498 K CA 1.213 57.430 56.287 -0.117 0.000 0.942 498 K CB 0.055 32.503 32.500 -0.086 0.000 0.729 498 K HN 0.109 nan 8.250 nan 0.000 0.439 499 E N 0.779 120.884 120.200 -0.159 0.000 2.107 499 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 499 E C 0.123 176.620 176.600 -0.172 0.000 0.982 499 E CA 0.679 57.002 56.400 -0.129 0.000 0.809 499 E CB -0.104 29.541 29.700 -0.092 0.000 0.756 499 E HN 0.377 nan 8.360 nan 0.000 0.459 500 Q N 0.535 120.079 119.800 -0.426 0.000 2.468 500 Q HA -0.187 4.153 4.340 -0.001 0.000 0.289 500 Q C -0.608 175.390 176.000 -0.003 0.000 1.299 500 Q CA 0.614 56.060 55.803 -0.594 0.000 0.838 500 Q CB -1.753 26.859 28.738 -0.210 0.000 1.195 500 Q HN 0.248 nan 8.270 nan 0.000 0.456 501 K N 0.578 121.005 120.400 0.045 0.000 2.202 501 K HA 0.618 4.938 4.320 -0.001 0.000 0.264 501 K C 0.046 176.973 176.600 0.546 0.000 1.010 501 K CA 0.123 56.556 56.287 0.243 0.000 0.940 501 K CB 0.497 33.076 32.500 0.131 0.000 0.983 501 K HN 0.240 nan 8.250 nan 0.000 0.475 502 F N -0.394 119.732 119.950 0.295 0.000 2.713 502 F HA 0.565 5.092 4.527 -0.001 0.000 0.311 502 F C -1.327 174.603 175.800 0.218 0.000 1.141 502 F CA -1.453 56.748 58.000 0.336 0.000 0.939 502 F CB 0.781 39.980 39.000 0.331 0.000 1.325 502 F HN 0.444 nan 8.300 nan 0.000 0.453 503 I N -0.526 120.153 120.570 0.182 0.000 2.846 503 I HA 0.657 4.827 4.170 -0.001 0.000 0.307 503 I C -1.134 175.093 176.117 0.183 0.000 1.053 503 I CA -0.798 60.447 61.300 -0.092 0.000 1.050 503 I CB 2.023 39.797 38.000 -0.377 0.000 1.239 503 I HN 0.487 nan 8.210 nan 0.000 0.439 504 D N 2.898 123.385 120.400 0.144 0.000 2.294 504 D HA 0.496 5.135 4.640 -0.001 0.000 0.250 504 D C -1.017 175.356 176.300 0.122 0.000 1.058 504 D CA 0.009 54.189 54.000 0.300 0.000 0.950 504 D CB 2.359 43.335 40.800 0.293 0.000 1.158 504 D HN 0.283 nan 8.370 nan 0.000 0.453 505 L N 2.917 124.216 121.223 0.127 0.000 2.401 505 L HA 0.268 4.608 4.340 -0.001 0.000 0.263 505 L C -0.782 175.980 176.870 -0.180 0.000 1.004 505 L CA -0.376 54.478 54.840 0.024 0.000 0.881 505 L CB 0.236 42.392 42.059 0.161 0.000 1.219 505 L HN 0.450 nan 8.230 nan 0.000 0.441 506 N N -0.840 117.765 118.700 -0.159 0.000 3.277 506 N HA 0.311 5.051 4.740 -0.001 0.000 0.278 506 N C 0.218 175.601 175.510 -0.212 0.000 1.544 506 N CA -0.173 52.723 53.050 -0.257 0.000 0.869 506 N CB 0.437 38.836 38.487 -0.147 0.000 1.584 506 N HN 0.045 nan 8.380 nan 0.000 0.564 507 T N -3.373 111.009 114.554 -0.287 0.000 3.361 507 T HA 0.194 4.543 4.350 -0.001 0.000 0.251 507 T C -0.200 174.451 174.700 -0.082 0.000 1.131 507 T CA 0.283 62.265 62.100 -0.197 0.000 1.001 507 T CB -0.780 67.942 68.868 -0.244 0.000 1.003 507 T HN 0.500 nan 8.240 nan 0.000 0.558 508 E N 1.536 121.705 120.200 -0.051 0.000 2.232 508 E HA 0.421 4.771 4.350 -0.001 0.000 0.264 508 E C -2.731 173.864 176.600 -0.008 0.000 0.973 508 E CA -2.903 53.488 56.400 -0.014 0.000 0.849 508 E CB 0.751 30.456 29.700 0.008 0.000 1.198 508 E HN 0.095 nan 8.360 nan 0.000 0.407 509 P HA -0.096 nan 4.420 nan 0.000 0.260 509 P C -0.391 176.906 177.300 -0.004 0.000 1.185 509 P CA 0.413 63.514 63.100 0.002 0.000 0.763 509 P CB 0.238 31.940 31.700 0.002 0.000 0.776 510 M N 3.776 123.376 119.600 0.001 0.000 2.209 510 M HA -0.100 4.380 4.480 -0.001 0.000 0.361 510 M C -0.485 175.778 176.300 -0.061 0.000 1.211 510 M CA 1.341 56.630 55.300 -0.018 0.000 0.899 510 M CB 0.013 32.619 32.600 0.010 0.000 1.817 510 M HN 0.234 nan 8.290 nan 0.000 0.476 511 K N 4.398 124.727 120.400 -0.119 0.000 2.507 511 K HA 0.525 4.845 4.320 -0.001 0.000 0.251 511 K C -1.474 174.853 176.600 -0.454 0.000 0.943 511 K CA -0.925 55.208 56.287 -0.256 0.000 0.794 511 K CB 2.392 34.741 32.500 -0.252 0.000 1.188 511 K HN 0.506 nan 8.250 nan 0.000 0.428 512 V N 3.686 123.325 119.914 -0.457 0.000 2.644 512 V HA 0.339 4.459 4.120 -0.001 0.000 0.295 512 V C 0.121 175.772 176.094 -0.738 0.000 1.053 512 V CA -0.342 61.686 62.300 -0.454 0.000 0.987 512 V CB 1.109 32.817 31.823 -0.193 0.000 1.006 512 V HN 0.731 nan 8.190 nan 0.000 0.472 513 H N 2.274 121.042 119.070 -0.503 0.000 3.220 513 H HA 0.646 5.201 4.556 -0.001 0.000 0.299 513 H C -1.143 174.043 175.328 -0.237 0.000 1.604 513 H CA -0.788 54.971 56.048 -0.481 0.000 1.260 513 H CB 2.077 31.328 29.762 -0.851 0.000 1.846 513 H HN 0.560 nan 8.280 nan 0.000 0.632 514 Q N 0.176 120.085 119.800 0.182 0.000 2.418 514 Q HA 0.341 4.681 4.340 -0.001 0.000 0.282 514 Q C -0.826 175.392 176.000 0.365 0.000 1.044 514 Q CA -0.881 55.096 55.803 0.289 0.000 0.813 514 Q CB 3.053 31.873 28.738 0.137 0.000 1.428 514 Q HN 0.457 nan 8.270 nan 0.000 0.402 515 R N 0.938 121.633 120.500 0.325 0.000 3.059 515 R HA -0.208 4.132 4.340 -0.001 0.000 0.251 515 R C -0.546 175.858 176.300 0.174 0.000 0.886 515 R CA -0.117 56.117 56.100 0.224 0.000 0.634 515 R CB -1.466 28.921 30.300 0.145 0.000 1.282 515 R HN 0.451 nan 8.270 nan 0.000 0.487 516 L N 2.658 123.917 121.223 0.061 0.000 2.700 516 L HA -0.057 4.283 4.340 -0.001 0.000 0.272 516 L C 0.750 177.569 176.870 -0.085 0.000 1.176 516 L CA 0.819 55.508 54.840 -0.252 0.000 0.961 516 L CB -0.272 41.367 42.059 -0.699 0.000 1.249 516 L HN 0.439 nan 8.230 nan 0.000 0.487 517 R N 2.276 122.744 120.500 -0.054 0.000 3.225 517 R HA -0.192 4.148 4.340 -0.001 0.000 0.245 517 R C 1.184 177.536 176.300 0.087 0.000 0.928 517 R CA 0.567 56.684 56.100 0.028 0.000 0.632 517 R CB -1.954 28.380 30.300 0.056 0.000 1.038 517 R HN 0.731 nan 8.270 nan 0.000 0.461 518 V N -2.605 117.360 119.914 0.085 0.000 2.295 518 V HA -0.313 3.806 4.120 -0.001 0.000 0.246 518 V C 2.285 178.445 176.094 0.111 0.000 1.049 518 V CA 1.953 64.316 62.300 0.105 0.000 1.024 518 V CB -0.451 31.427 31.823 0.092 0.000 0.648 518 V HN 0.315 nan 8.190 nan 0.000 0.447 519 Q N -0.015 119.833 119.800 0.079 0.000 2.062 519 Q HA -0.204 4.136 4.340 -0.001 0.000 0.209 519 Q C 2.151 178.207 176.000 0.093 0.000 0.996 519 Q CA 2.466 58.301 55.803 0.055 0.000 0.859 519 Q CB -0.425 28.316 28.738 0.005 0.000 0.920 519 Q HN 0.593 nan 8.270 nan 0.000 0.415 520 M N -1.571 118.117 119.600 0.146 0.000 2.236 520 M HA -0.002 4.478 4.480 -0.001 0.000 0.266 520 M C 2.609 179.191 176.300 0.471 0.000 1.070 520 M CA 1.254 56.730 55.300 0.293 0.000 1.137 520 M CB -1.665 31.175 32.600 0.399 0.000 1.378 520 M HN 0.546 nan 8.290 nan 0.000 0.426 521 C N 0.165 119.674 119.300 0.348 0.000 2.422 521 C HA 0.017 4.477 4.460 -0.001 0.000 0.279 521 C C 2.886 178.053 174.990 0.294 0.000 1.305 521 C CA 0.970 60.188 59.018 0.333 0.000 1.757 521 C CB -1.264 26.610 27.740 0.224 0.000 1.962 521 C HN 0.294 nan 8.230 nan 0.000 0.499 522 V N -0.343 119.713 119.914 0.237 0.000 2.453 522 V HA -0.130 3.990 4.120 -0.001 0.000 0.247 522 V C 2.290 178.508 176.094 0.208 0.000 1.048 522 V CA 2.035 64.449 62.300 0.191 0.000 1.049 522 V CB -0.861 31.047 31.823 0.141 0.000 0.672 522 V HN 0.687 nan 8.190 nan 0.000 0.457 523 F N 0.057 120.046 119.950 0.064 0.000 2.075 523 F HA -0.174 4.352 4.527 -0.000 0.000 0.297 523 F C 1.961 177.738 175.800 -0.038 0.000 1.113 523 F CA 1.681 59.665 58.000 -0.027 0.000 1.218 523 F CB -0.361 38.498 39.000 -0.233 0.000 0.984 523 F HN 0.166 nan 8.300 nan 0.000 0.472 524 W N 0.516 121.931 121.300 0.191 0.000 2.518 524 W HA -0.059 4.600 4.660 -0.001 0.000 0.273 524 W C 2.028 178.524 176.519 -0.038 0.000 1.247 524 W CA 0.683 58.055 57.345 0.046 0.000 1.288 524 W CB -0.354 29.247 29.460 0.235 0.000 1.107 524 W HN -0.020 nan 8.180 nan 0.000 0.586 525 N N -0.734 118.078 118.700 0.186 0.000 2.415 525 N HA -0.010 4.730 4.740 -0.001 0.000 0.174 525 N C 1.435 176.937 175.510 -0.014 0.000 1.048 525 N CA 0.894 53.962 53.050 0.029 0.000 0.895 525 N CB -0.098 38.410 38.487 0.036 0.000 1.036 525 N HN 0.358 nan 8.380 nan 0.000 0.449 526 Q N -0.859 118.960 119.800 0.032 0.000 2.514 526 Q HA 0.175 4.515 4.340 -0.001 0.000 0.208 526 Q C 1.346 177.348 176.000 0.004 0.000 0.938 526 Q CA 0.015 55.837 55.803 0.032 0.000 0.892 526 Q CB 0.029 28.820 28.738 0.089 0.000 1.050 526 Q HN 0.111 nan 8.270 nan 0.000 0.595 527 F N 1.911 121.772 119.950 -0.148 0.000 2.039 527 F HA -0.179 4.348 4.527 -0.001 0.000 0.294 527 F C 2.008 177.620 175.800 -0.314 0.000 1.130 527 F CA 1.000 58.880 58.000 -0.200 0.000 1.189 527 F CB -0.437 38.460 39.000 -0.171 0.000 0.983 527 F HN 0.017 nan 8.300 nan 0.000 0.471 528 L N 1.016 121.804 121.223 -0.725 0.000 1.990 528 L HA -0.139 4.200 4.340 -0.001 0.000 0.213 528 L C -0.756 175.826 176.870 -0.481 0.000 1.072 528 L CA 2.331 56.692 54.840 -0.800 0.000 0.755 528 L CB -1.936 39.574 42.059 -0.915 0.000 0.889 528 L HN 0.032 nan 8.230 nan 0.000 0.432 529 P HA -0.260 nan 4.420 nan 0.000 0.215 529 P C 1.537 178.715 177.300 -0.203 0.000 1.163 529 P CA 1.879 64.877 63.100 -0.170 0.000 0.894 529 P CB -0.107 31.525 31.700 -0.115 0.000 0.791 530 K N -0.274 119.985 120.400 -0.236 0.000 2.044 530 K HA -0.187 4.132 4.320 -0.001 0.000 0.210 530 K C 2.083 178.512 176.600 -0.285 0.000 1.049 530 K CA 1.394 57.551 56.287 -0.216 0.000 0.927 530 K CB -0.893 31.498 32.500 -0.181 0.000 0.713 530 K HN 0.038 nan 8.250 nan 0.000 0.443 531 L N 1.011 121.937 121.223 -0.496 0.000 1.989 531 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 531 L C 2.200 178.904 176.870 -0.277 0.000 1.071 531 L CA 1.413 55.968 54.840 -0.474 0.000 0.749 531 L CB -0.261 41.337 42.059 -0.769 0.000 0.890 531 L HN 0.283 nan 8.230 nan 0.000 0.431 532 L N 0.131 121.199 121.223 -0.259 0.000 2.127 532 L HA -0.264 4.076 4.340 -0.001 0.000 0.211 532 L C 2.456 179.260 176.870 -0.110 0.000 1.089 532 L CA 1.604 56.347 54.840 -0.162 0.000 0.757 532 L CB -0.797 41.183 42.059 -0.132 0.000 0.899 532 L HN 0.520 nan 8.230 nan 0.000 0.434 533 N N 0.146 118.778 118.700 -0.114 0.000 2.300 533 N HA -0.104 4.636 4.740 -0.001 0.000 0.179 533 N C 1.778 177.247 175.510 -0.069 0.000 1.016 533 N CA 1.046 54.050 53.050 -0.076 0.000 0.876 533 N CB 0.265 38.709 38.487 -0.071 0.000 0.979 533 N HN 0.301 nan 8.380 nan 0.000 0.432 534 A N 0.236 123.004 122.820 -0.087 0.000 2.021 534 A HA 0.042 4.362 4.320 -0.001 0.000 0.216 534 A C 1.317 178.867 177.584 -0.057 0.000 1.163 534 A CA 1.137 53.134 52.037 -0.065 0.000 0.676 534 A CB -0.312 18.646 19.000 -0.070 0.000 0.818 534 A HN 0.523 nan 8.150 nan 0.000 0.453 535 T N 0.000 114.512 114.554 -0.071 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658