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 1odc_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 EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA 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 0.000 174.649 174.600 0.082 0.000 1.055 4 S CA 0.000 58.232 58.200 0.053 0.000 1.107 4 S CB 0.000 63.231 63.200 0.052 0.000 0.593 5 E N 2.905 123.156 120.200 0.085 0.000 2.204 5 E HA -0.027 4.322 4.350 -0.001 0.000 0.195 5 E C 1.066 177.789 176.600 0.205 0.000 0.990 5 E CA 1.365 57.840 56.400 0.126 0.000 0.821 5 E CB -0.070 29.689 29.700 0.099 0.000 0.750 5 E HN 0.729 nan 8.360 nan 0.000 0.477 6 L N 0.756 122.071 121.223 0.152 0.000 2.592 6 L HA 0.182 4.521 4.340 -0.001 0.000 0.227 6 L C 0.133 177.193 176.870 0.318 0.000 1.127 6 L CA -0.389 54.550 54.840 0.164 0.000 0.884 6 L CB 0.294 42.349 42.059 -0.006 0.000 1.065 6 L HN 0.161 nan 8.230 nan 0.000 0.457 7 L N 0.582 121.959 121.223 0.257 0.000 2.313 7 L HA 0.571 4.911 4.340 -0.001 0.000 0.283 7 L C -0.713 176.243 176.870 0.143 0.000 1.013 7 L CA -0.281 54.692 54.840 0.222 0.000 0.816 7 L CB 1.718 43.852 42.059 0.125 0.000 1.236 7 L HN -0.321 nan 8.230 nan 0.000 0.419 8 V N 4.425 124.391 119.914 0.087 0.000 2.638 8 V HA 0.474 4.593 4.120 -0.001 0.000 0.306 8 V C -0.647 175.353 176.094 -0.157 0.000 1.052 8 V CA -0.806 61.381 62.300 -0.187 0.000 0.885 8 V CB 2.011 33.408 31.823 -0.711 0.000 0.999 8 V HN 0.776 nan 8.190 nan 0.000 0.424 9 N N 2.897 121.457 118.700 -0.233 0.000 2.422 9 N HA 0.545 5.284 4.740 -0.001 0.000 0.266 9 N C -0.151 175.055 175.510 -0.507 0.000 1.007 9 N CA -0.041 52.848 53.050 -0.267 0.000 0.941 9 N CB 1.533 39.856 38.487 -0.274 0.000 1.115 9 N HN 0.925 nan 8.380 nan 0.000 0.492 10 T N -0.051 114.295 114.554 -0.347 0.000 2.938 10 T HA 0.394 4.743 4.350 -0.001 0.000 0.285 10 T C 1.023 175.462 174.700 -0.436 0.000 1.028 10 T CA -0.596 61.259 62.100 -0.410 0.000 1.005 10 T CB 1.113 70.008 68.868 0.045 0.000 1.157 10 T HN 0.376 nan 8.240 nan 0.000 0.550 11 K N 0.202 120.400 120.400 -0.338 0.000 2.360 11 K HA 0.021 4.340 4.320 -0.001 0.000 0.201 11 K C 1.937 178.389 176.600 -0.247 0.000 1.046 11 K CA 0.961 57.100 56.287 -0.246 0.000 0.945 11 K CB -0.096 32.331 32.500 -0.121 0.000 0.750 11 K HN 0.409 nan 8.250 nan 0.000 0.464 12 S N -0.346 115.196 115.700 -0.262 0.000 2.535 12 S HA 0.200 4.669 4.470 -0.001 0.000 0.214 12 S C 0.376 174.280 174.600 -1.160 0.000 0.980 12 S CA 0.270 58.190 58.200 -0.467 0.000 0.907 12 S CB 0.913 64.010 63.200 -0.171 0.000 0.790 12 S HN 0.551 nan 8.310 nan 0.000 0.510 13 G N 1.411 109.711 108.800 -0.832 0.000 2.369 13 G HA2 0.103 4.063 3.960 -0.001 0.000 0.307 13 G HA3 0.103 4.063 3.960 -0.001 0.000 0.307 13 G C -1.972 172.867 174.900 -0.101 0.000 1.327 13 G CA -1.168 43.406 45.100 -0.876 0.000 0.963 13 G HN 0.071 nan 8.290 nan 0.000 0.590 14 K N -0.548 120.002 120.400 0.251 0.000 2.118 14 K HA 0.715 5.034 4.320 -0.001 0.000 0.267 14 K C -0.637 176.329 176.600 0.610 0.000 0.991 14 K CA -0.727 55.759 56.287 0.331 0.000 0.916 14 K CB 2.538 35.166 32.500 0.213 0.000 1.041 14 K HN 0.878 nan 8.250 nan 0.000 0.455 15 V N 2.777 122.975 119.914 0.473 0.000 2.876 15 V HA 0.489 4.609 4.120 -0.001 0.000 0.312 15 V C -1.582 174.796 176.094 0.472 0.000 1.085 15 V CA -1.028 61.599 62.300 0.546 0.000 0.945 15 V CB 2.106 34.301 31.823 0.621 0.000 1.017 15 V HN 0.817 nan 8.190 nan 0.000 0.428 16 M N 5.806 125.651 119.600 0.410 0.000 2.125 16 M HA 0.785 5.265 4.480 -0.001 0.000 0.321 16 M C 0.081 176.500 176.300 0.198 0.000 0.983 16 M CA 0.115 55.587 55.300 0.288 0.000 0.934 16 M CB 0.898 33.587 32.600 0.150 0.000 1.542 16 M HN 0.800 nan 8.290 nan 0.000 0.424 17 G N 1.628 110.443 108.800 0.025 0.000 2.543 17 G HA2 0.624 4.584 3.960 -0.001 0.000 0.267 17 G HA3 0.624 4.584 3.960 -0.001 0.000 0.267 17 G C -1.016 173.677 174.900 -0.346 0.000 1.406 17 G CA -0.360 44.438 45.100 -0.504 0.000 1.048 17 G HN 0.674 nan 8.290 nan 0.000 0.548 18 T N -1.733 112.570 114.554 -0.418 0.000 2.903 18 T HA 0.536 4.886 4.350 -0.001 0.000 0.299 18 T C -0.554 174.005 174.700 -0.234 0.000 1.093 18 T CA -0.727 61.221 62.100 -0.253 0.000 1.002 18 T CB 1.496 70.242 68.868 -0.203 0.000 1.127 18 T HN 0.678 nan 8.240 nan 0.000 0.488 19 R N 2.631 123.040 120.500 -0.151 0.000 2.297 19 R HA 0.688 5.027 4.340 -0.001 0.000 0.308 19 R C -0.638 175.636 176.300 -0.044 0.000 1.029 19 R CA -0.561 55.479 56.100 -0.101 0.000 0.929 19 R CB 0.669 30.899 30.300 -0.118 0.000 1.046 19 R HN 0.508 nan 8.270 nan 0.000 0.461 20 V N 1.898 121.824 119.914 0.021 0.000 2.680 20 V HA 0.711 4.831 4.120 -0.001 0.000 0.309 20 V C -2.620 173.537 176.094 0.106 0.000 1.052 20 V CA -2.728 59.603 62.300 0.050 0.000 0.908 20 V CB 1.738 33.579 31.823 0.030 0.000 1.001 20 V HN 0.828 nan 8.190 nan 0.000 0.431 21 P HA 0.498 nan 4.420 nan 0.000 0.278 21 P C -1.024 176.142 177.300 -0.223 0.000 1.238 21 P CA -0.293 62.720 63.100 -0.145 0.000 0.794 21 P CB 1.736 33.362 31.700 -0.123 0.000 0.955 22 V N 3.984 123.679 119.914 -0.365 0.000 2.653 22 V HA 0.125 4.245 4.120 -0.001 0.000 0.298 22 V C 0.607 176.471 176.094 -0.384 0.000 1.097 22 V CA -0.844 61.242 62.300 -0.357 0.000 0.908 22 V CB 1.313 32.842 31.823 -0.489 0.000 1.024 22 V HN 0.488 nan 8.190 nan 0.000 0.435 23 L N 4.338 125.482 121.223 -0.132 0.000 3.854 23 L HA -0.275 4.064 4.340 -0.001 0.000 0.460 23 L C 1.172 177.957 176.870 -0.142 0.000 1.228 23 L CA 0.868 55.668 54.840 -0.068 0.000 0.760 23 L CB -1.393 40.707 42.059 0.069 0.000 1.597 23 L HN 1.443 nan 8.230 nan 0.000 0.852 24 S N -3.224 112.363 115.700 -0.187 0.000 3.561 24 S HA -0.241 4.229 4.470 -0.001 0.000 0.318 24 S C 0.213 174.650 174.600 -0.271 0.000 1.181 24 S CA 1.370 59.452 58.200 -0.196 0.000 0.916 24 S CB -1.257 61.889 63.200 -0.090 0.000 0.966 24 S HN 1.038 nan 8.310 nan 0.000 0.550 25 S N -0.550 114.881 115.700 -0.448 0.000 3.132 25 S HA 0.891 5.361 4.470 -0.001 0.000 0.322 25 S C -1.052 173.142 174.600 -0.676 0.000 1.124 25 S CA -0.194 57.750 58.200 -0.426 0.000 0.906 25 S CB 1.193 64.207 63.200 -0.311 0.000 1.349 25 S HN 0.819 nan 8.310 nan 0.000 0.686 26 H N -0.603 118.349 119.070 -0.196 0.000 3.042 26 H HA 0.725 5.281 4.556 -0.001 0.000 0.346 26 H C -0.745 174.547 175.328 -0.061 0.000 1.294 26 H CA -0.331 55.638 56.048 -0.132 0.000 1.141 26 H CB 1.424 31.149 29.762 -0.062 0.000 1.872 26 H HN 0.759 nan 8.280 nan 0.000 0.541 27 I N -2.279 118.368 120.570 0.128 0.000 3.279 27 I HA 0.707 4.877 4.170 -0.001 0.000 0.315 27 I C -1.104 175.084 176.117 0.118 0.000 1.225 27 I CA -1.041 60.351 61.300 0.154 0.000 0.947 27 I CB 2.518 40.641 38.000 0.206 0.000 1.293 27 I HN 0.444 nan 8.210 nan 0.000 0.468 28 S N 1.383 117.161 115.700 0.130 0.000 2.578 28 S HA 0.857 5.327 4.470 -0.001 0.000 0.283 28 S C -0.265 174.301 174.600 -0.058 0.000 1.195 28 S CA -0.552 57.642 58.200 -0.010 0.000 1.050 28 S CB 1.558 64.790 63.200 0.053 0.000 1.012 28 S HN 0.909 nan 8.310 nan 0.000 0.511 29 A N 1.800 124.403 122.820 -0.362 0.000 2.393 29 A HA 0.786 5.106 4.320 -0.001 0.000 0.306 29 A C -1.400 175.791 177.584 -0.655 0.000 1.050 29 A CA -0.666 51.087 52.037 -0.473 0.000 0.724 29 A CB 0.556 19.248 19.000 -0.512 0.000 1.248 29 A HN 0.662 nan 8.150 nan 0.000 0.424 30 F N 2.782 122.590 119.950 -0.237 0.000 2.434 30 F HA 0.443 4.969 4.527 -0.000 0.000 0.367 30 F C -0.168 175.510 175.800 -0.202 0.000 1.093 30 F CA -0.314 57.633 58.000 -0.089 0.000 1.085 30 F CB 1.249 40.297 39.000 0.081 0.000 1.322 30 F HN 0.364 nan 8.300 nan 0.000 0.452 31 L N 2.115 123.278 121.223 -0.099 0.000 2.325 31 L HA 0.674 5.014 4.340 -0.001 0.000 0.279 31 L C 1.031 177.924 176.870 0.038 0.000 1.054 31 L CA -0.925 53.854 54.840 -0.101 0.000 0.804 31 L CB 1.416 43.336 42.059 -0.233 0.000 1.200 31 L HN 0.823 nan 8.230 nan 0.000 0.436 32 G N 3.059 111.906 108.800 0.078 0.000 2.246 32 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.273 32 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.273 32 G C -0.094 174.877 174.900 0.119 0.000 1.055 32 G CA -0.311 44.836 45.100 0.079 0.000 0.851 32 G HN 0.487 nan 8.290 nan 0.000 0.500 33 I N 2.103 122.668 120.570 -0.008 0.000 2.416 33 I HA 0.227 4.396 4.170 -0.001 0.000 0.288 33 I C -1.344 174.552 176.117 -0.369 0.000 1.051 33 I CA -2.077 59.038 61.300 -0.308 0.000 1.375 33 I CB 1.144 38.949 38.000 -0.325 0.000 1.407 33 I HN 0.009 nan 8.210 nan 0.000 0.516 34 P HA 0.069 nan 4.420 nan 0.000 0.281 34 P C -0.367 176.542 177.300 -0.652 0.000 1.252 34 P CA -0.033 62.535 63.100 -0.887 0.000 0.778 34 P CB 0.713 31.805 31.700 -1.014 0.000 0.895 35 F N 0.965 120.574 119.950 -0.568 0.000 2.746 35 F HA 0.724 5.251 4.527 -0.001 0.000 0.320 35 F C -0.060 175.646 175.800 -0.156 0.000 1.097 35 F CA -0.925 56.828 58.000 -0.411 0.000 1.195 35 F CB 0.045 38.764 39.000 -0.468 0.000 1.056 35 F HN 0.336 nan 8.300 nan 0.000 0.562 36 A N 0.133 122.573 122.820 -0.634 0.000 2.556 36 A HA 0.632 4.951 4.320 -0.001 0.000 0.294 36 A C -0.759 176.636 177.584 -0.315 0.000 1.091 36 A CA -0.715 51.120 52.037 -0.337 0.000 0.704 36 A CB 1.142 19.914 19.000 -0.379 0.000 1.300 36 A HN 0.049 nan 8.150 nan 0.000 0.406 37 E N 0.849 120.962 120.200 -0.144 0.000 2.398 37 E HA 0.262 4.612 4.350 -0.001 0.000 0.263 37 E C -2.313 174.199 176.600 -0.147 0.000 1.046 37 E CA -1.388 54.950 56.400 -0.103 0.000 0.908 37 E CB 0.076 29.759 29.700 -0.029 0.000 0.963 37 E HN 0.258 nan 8.360 nan 0.000 0.431 38 P HA 0.025 nan 4.420 nan 0.000 0.263 38 P C -2.233 175.021 177.300 -0.076 0.000 1.195 38 P CA -0.688 62.350 63.100 -0.102 0.000 0.762 38 P CB 0.069 31.749 31.700 -0.035 0.000 0.799 39 P HA 0.036 nan 4.420 nan 0.000 0.214 39 P C -0.426 176.834 177.300 -0.067 0.000 1.826 39 P CA -0.011 63.051 63.100 -0.064 0.000 0.977 39 P CB 0.016 31.682 31.700 -0.057 0.000 1.930 40 V N -2.022 117.859 119.914 -0.055 0.000 2.994 40 V HA 0.896 5.015 4.120 -0.001 0.000 0.318 40 V C 0.960 177.025 176.094 -0.047 0.000 1.085 40 V CA 0.141 62.408 62.300 -0.055 0.000 0.998 40 V CB 0.812 32.612 31.823 -0.039 0.000 1.063 40 V HN 0.573 nan 8.190 nan 0.000 0.447 41 G N 2.281 111.051 108.800 -0.049 0.000 2.622 41 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.307 41 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.307 41 G C 0.624 175.500 174.900 -0.040 0.000 1.226 41 G CA 1.157 46.235 45.100 -0.037 0.000 0.997 41 G HN 1.124 nan 8.290 nan 0.000 0.551 42 N N 0.326 119.021 118.700 -0.009 0.000 2.443 42 N HA 0.040 4.780 4.740 -0.001 0.000 0.184 42 N C 2.250 177.765 175.510 0.007 0.000 1.037 42 N CA 1.492 54.549 53.050 0.013 0.000 0.896 42 N CB -0.124 38.382 38.487 0.032 0.000 0.959 42 N HN 0.420 nan 8.380 nan 0.000 0.442 43 M N -0.177 119.414 119.600 -0.015 0.000 2.595 43 M HA 0.048 4.528 4.480 -0.001 0.000 0.248 43 M C 0.518 176.789 176.300 -0.049 0.000 1.119 43 M CA 0.129 55.420 55.300 -0.014 0.000 1.079 43 M CB -0.577 32.013 32.600 -0.017 0.000 1.472 43 M HN 0.069 nan 8.290 nan 0.000 0.501 44 R N 0.559 120.978 120.500 -0.135 0.000 2.522 44 R HA -0.017 4.322 4.340 -0.001 0.000 0.284 44 R C -0.339 175.772 176.300 -0.316 0.000 1.032 44 R CA 0.545 56.434 56.100 -0.352 0.000 1.049 44 R CB 0.140 30.077 30.300 -0.606 0.000 0.956 44 R HN 0.219 nan 8.270 nan 0.000 0.422 45 F N -0.398 119.559 119.950 0.011 0.000 2.502 45 F HA -0.279 4.247 4.527 -0.001 0.000 0.480 45 F C 0.421 176.211 175.800 -0.017 0.000 0.543 45 F CA 0.804 58.788 58.000 -0.027 0.000 1.350 45 F CB -1.394 37.575 39.000 -0.052 0.000 1.999 45 F HN 0.616 nan 8.300 nan 0.000 0.267 46 R N 1.175 121.758 120.500 0.138 0.000 2.543 46 R HA 0.570 4.910 4.340 -0.001 0.000 0.268 46 R C 0.590 176.929 176.300 0.064 0.000 1.067 46 R CA -0.956 55.199 56.100 0.092 0.000 1.142 46 R CB 0.552 30.892 30.300 0.067 0.000 1.110 46 R HN 0.086 nan 8.270 nan 0.000 0.549 47 R N 1.867 122.404 120.500 0.061 0.000 2.756 47 R HA 0.019 4.358 4.340 -0.001 0.000 0.264 47 R C -1.871 174.462 176.300 0.056 0.000 1.026 47 R CA -0.710 55.427 56.100 0.061 0.000 1.121 47 R CB -0.142 30.198 30.300 0.066 0.000 0.999 47 R HN 0.415 nan 8.270 nan 0.000 0.449 48 P HA 0.072 nan 4.420 nan 0.000 0.274 48 P C -0.952 176.385 177.300 0.062 0.000 1.237 48 P CA -0.032 63.103 63.100 0.059 0.000 0.793 48 P CB 0.925 32.686 31.700 0.102 0.000 0.977 49 E N 1.643 121.868 120.200 0.041 0.000 2.227 49 E HA 0.391 4.741 4.350 -0.001 0.000 0.268 49 E C -2.227 174.407 176.600 0.057 0.000 0.907 49 E CA -2.389 54.040 56.400 0.049 0.000 0.786 49 E CB 1.081 30.801 29.700 0.034 0.000 1.191 49 E HN 0.378 nan 8.360 nan 0.000 0.411 50 P HA 0.004 nan 4.420 nan 0.000 0.269 50 P C -0.192 177.162 177.300 0.090 0.000 1.209 50 P CA -0.324 62.846 63.100 0.117 0.000 0.776 50 P CB 0.635 32.411 31.700 0.126 0.000 0.876 51 K N 2.572 123.034 120.400 0.103 0.000 2.412 51 K HA 0.074 4.394 4.320 -0.001 0.000 0.281 51 K C -0.212 176.477 176.600 0.149 0.000 1.027 51 K CA 0.066 56.408 56.287 0.092 0.000 0.989 51 K CB 0.005 32.559 32.500 0.089 0.000 0.935 51 K HN 0.079 nan 8.250 nan 0.000 0.475 52 K N 5.897 126.383 120.400 0.143 0.000 2.401 52 K HA 0.161 4.481 4.320 -0.001 0.000 0.278 52 K C -2.234 174.472 176.600 0.177 0.000 1.018 52 K CA -1.295 55.072 56.287 0.135 0.000 0.981 52 K CB 0.121 32.696 32.500 0.125 0.000 0.933 52 K HN 0.679 nan 8.250 nan 0.000 0.477 53 P HA 0.102 nan 4.420 nan 0.000 0.268 53 P C -0.803 176.514 177.300 0.028 0.000 1.208 53 P CA -0.163 62.860 63.100 -0.128 0.000 0.777 53 P CB 0.276 31.864 31.700 -0.186 0.000 0.875 54 W N 1.104 122.488 121.300 0.139 0.000 2.706 54 W HA 0.689 5.349 4.660 -0.000 0.000 0.346 54 W C -0.505 176.090 176.519 0.127 0.000 1.071 54 W CA -0.932 56.511 57.345 0.163 0.000 1.206 54 W CB 0.139 29.769 29.460 0.284 0.000 1.413 54 W HN 0.386 nan 8.180 nan 0.000 0.542 55 S N 1.968 117.832 115.700 0.274 0.000 2.713 55 S HA 0.881 5.351 4.470 -0.001 0.000 0.283 55 S C 0.525 175.309 174.600 0.305 0.000 1.161 55 S CA 0.049 58.352 58.200 0.172 0.000 0.999 55 S CB 0.864 64.128 63.200 0.106 0.000 1.039 55 S HN 2.201 nan 8.310 nan 0.000 0.548 56 G N -0.637 108.292 108.800 0.215 0.000 2.632 56 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.224 56 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.224 56 G C -0.907 174.186 174.900 0.322 0.000 1.341 56 G CA -0.354 44.876 45.100 0.217 0.000 0.880 56 G HN 1.630 nan 8.290 nan 0.000 0.566 57 V N 0.705 120.760 119.914 0.235 0.000 2.378 57 V HA 0.484 4.603 4.120 -0.001 0.000 0.288 57 V C 0.164 176.357 176.094 0.164 0.000 1.016 57 V CA -0.550 61.904 62.300 0.258 0.000 0.840 57 V CB 1.737 33.655 31.823 0.157 0.000 0.994 57 V HN 0.719 nan 8.190 nan 0.000 0.431 58 W N 5.628 126.974 121.300 0.077 0.000 2.304 58 W HA 0.208 4.868 4.660 -0.000 0.000 0.313 58 W C 0.274 176.763 176.519 -0.051 0.000 1.323 58 W CA -0.309 56.919 57.345 -0.196 0.000 1.223 58 W CB 0.846 29.967 29.460 -0.564 0.000 1.237 58 W HN 0.618 nan 8.180 nan 0.000 0.535 59 N N 4.634 123.135 118.700 -0.333 0.000 2.405 59 N HA 0.188 4.928 4.740 -0.001 0.000 0.260 59 N C -0.453 175.119 175.510 0.104 0.000 1.152 59 N CA 0.250 53.231 53.050 -0.115 0.000 0.948 59 N CB 0.990 39.332 38.487 -0.241 0.000 1.111 59 N HN 0.389 nan 8.380 nan 0.000 0.485 60 A N 2.789 125.740 122.820 0.219 0.000 3.041 60 A HA 0.178 4.498 4.320 -0.001 0.000 0.307 60 A C 1.032 178.627 177.584 0.019 0.000 1.116 60 A CA -0.411 51.758 52.037 0.221 0.000 1.001 60 A CB -0.457 18.749 19.000 0.342 0.000 1.112 60 A HN 0.636 nan 8.150 nan 0.000 0.556 61 S N -0.859 114.816 115.700 -0.041 0.000 2.524 61 S HA 0.168 4.638 4.470 -0.001 0.000 0.215 61 S C 0.745 175.254 174.600 -0.152 0.000 0.986 61 S CA 0.607 58.734 58.200 -0.122 0.000 0.911 61 S CB -0.297 62.839 63.200 -0.107 0.000 0.805 61 S HN 0.862 nan 8.310 nan 0.000 0.501 62 T N -1.152 113.332 114.554 -0.117 0.000 2.903 62 T HA 0.619 4.968 4.350 -0.001 0.000 0.299 62 T C -0.899 173.767 174.700 -0.057 0.000 1.093 62 T CA -0.770 61.254 62.100 -0.127 0.000 1.002 62 T CB 0.685 69.502 68.868 -0.085 0.000 1.127 62 T HN 0.049 nan 8.240 nan 0.000 0.488 63 Y N 3.033 123.291 120.300 -0.070 0.000 2.702 63 Y HA 0.297 4.847 4.550 -0.001 0.000 0.336 63 Y C -1.380 174.450 175.900 -0.116 0.000 1.235 63 Y CA -1.318 56.741 58.100 -0.068 0.000 1.492 63 Y CB 0.071 38.510 38.460 -0.034 0.000 1.308 63 Y HN 0.542 nan 8.280 nan 0.000 0.589 64 P HA 0.081 nan 4.420 nan 0.000 0.282 64 P C -0.581 176.634 177.300 -0.141 0.000 1.287 64 P CA -0.523 62.448 63.100 -0.215 0.000 0.792 64 P CB 0.909 32.391 31.700 -0.364 0.000 1.163 65 N N 0.312 118.899 118.700 -0.188 0.000 2.415 65 N HA 0.096 4.835 4.740 -0.001 0.000 0.248 65 N C 0.080 175.548 175.510 -0.071 0.000 1.271 65 N CA 0.244 53.228 53.050 -0.109 0.000 0.913 65 N CB -0.155 38.276 38.487 -0.093 0.000 1.129 65 N HN 0.416 nan 8.380 nan 0.000 0.444 66 N N -0.721 117.928 118.700 -0.085 0.000 2.489 66 N HA 0.299 5.038 4.740 -0.001 0.000 0.284 66 N C -0.393 175.065 175.510 -0.086 0.000 1.158 66 N CA -0.667 52.328 53.050 -0.093 0.000 0.965 66 N CB 0.993 39.395 38.487 -0.141 0.000 1.195 66 N HN 0.403 nan 8.380 nan 0.000 0.506 67 c N 1.082 119.634 118.600 -0.080 0.000 2.656 67 c HA 0.060 4.629 4.570 -0.001 0.000 0.391 67 c C 0.623 174.615 174.090 -0.163 0.000 1.300 67 c CA -0.604 55.658 56.329 -0.111 0.000 2.302 67 c CB -0.006 42.467 42.510 -0.062 0.000 2.655 67 c HN 0.533 nan 8.230 nan 0.000 0.656 68 Q N 2.495 122.116 119.800 -0.298 0.000 2.274 68 Q HA 0.210 4.550 4.340 -0.001 0.000 0.280 68 Q C -0.064 175.872 176.000 -0.107 0.000 1.047 68 Q CA 0.961 56.574 55.803 -0.318 0.000 0.907 68 Q CB 0.471 28.773 28.738 -0.727 0.000 1.171 68 Q HN 0.877 nan 8.270 nan 0.000 0.381 69 Q N 1.456 121.273 119.800 0.028 0.000 2.575 69 Q HA 0.305 4.645 4.340 -0.001 0.000 0.290 69 Q C -1.275 174.854 176.000 0.215 0.000 0.963 69 Q CA -1.012 54.899 55.803 0.180 0.000 0.783 69 Q CB 0.763 29.555 28.738 0.091 0.000 1.467 69 Q HN 0.466 nan 8.270 nan 0.000 0.402 70 Y N 0.980 121.402 120.300 0.204 0.000 2.597 70 Y HA 0.330 4.880 4.550 -0.001 0.000 0.336 70 Y C -0.985 174.967 175.900 0.088 0.000 1.216 70 Y CA 0.414 58.601 58.100 0.146 0.000 1.463 70 Y CB 0.884 39.434 38.460 0.151 0.000 1.303 70 Y HN 0.449 nan 8.280 nan 0.000 0.576 71 V N 6.650 126.203 119.914 -0.602 0.000 2.448 71 V HA 0.132 4.251 4.120 -0.001 0.000 0.295 71 V C -0.572 175.194 176.094 -0.548 0.000 1.025 71 V CA -1.120 60.947 62.300 -0.389 0.000 0.859 71 V CB 1.524 33.199 31.823 -0.246 0.000 0.988 71 V HN 0.752 nan 8.190 nan 0.000 0.431 72 D N 3.870 124.168 120.400 -0.171 0.000 2.371 72 D HA 0.108 4.748 4.640 -0.001 0.000 0.256 72 D C 0.538 176.834 176.300 -0.007 0.000 1.193 72 D CA 0.366 54.374 54.000 0.014 0.000 0.881 72 D CB 1.018 41.939 40.800 0.202 0.000 1.143 72 D HN 0.692 nan 8.370 nan 0.000 0.473 73 E N 2.404 122.583 120.200 -0.034 0.000 2.693 73 E HA 0.003 4.353 4.350 -0.001 0.000 0.214 73 E C 0.981 177.528 176.600 -0.089 0.000 0.990 73 E CA -0.268 56.104 56.400 -0.046 0.000 1.047 73 E CB 0.682 30.332 29.700 -0.083 0.000 1.039 73 E HN 0.344 nan 8.360 nan 0.000 0.475 74 Q N -0.537 119.182 119.800 -0.136 0.000 2.124 74 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 74 Q C 0.097 175.574 176.000 -0.871 0.000 0.977 74 Q CA 1.137 56.612 55.803 -0.547 0.000 0.850 74 Q CB 0.093 28.350 28.738 -0.802 0.000 0.901 74 Q HN 0.212 nan 8.270 nan 0.000 0.429 75 F N 0.063 120.061 119.950 0.079 0.000 2.622 75 F HA 0.351 4.878 4.527 -0.001 0.000 0.338 75 F C -2.179 173.680 175.800 0.099 0.000 1.334 75 F CA -3.147 54.877 58.000 0.041 0.000 1.179 75 F CB 0.961 39.957 39.000 -0.007 0.000 1.471 75 F HN -0.218 nan 8.300 nan 0.000 0.576 76 P HA 0.075 nan 4.420 nan 0.000 0.257 76 P C 1.046 178.415 177.300 0.115 0.000 1.162 76 P CA 1.419 64.574 63.100 0.091 0.000 0.762 76 P CB 0.438 32.159 31.700 0.036 0.000 0.753 77 G N 2.767 111.621 108.800 0.090 0.000 2.184 77 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.264 77 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.264 77 G C 0.059 175.006 174.900 0.077 0.000 0.975 77 G CA -0.354 44.779 45.100 0.055 0.000 0.642 77 G HN 0.547 nan 8.290 nan 0.000 0.536 78 F N 3.049 122.987 119.950 -0.020 0.000 2.472 78 F HA 0.492 5.019 4.527 -0.001 0.000 0.364 78 F C 1.661 177.380 175.800 -0.135 0.000 1.090 78 F CA -0.115 57.823 58.000 -0.104 0.000 1.188 78 F CB 0.993 39.936 39.000 -0.095 0.000 1.105 78 F HN 0.218 nan 8.300 nan 0.000 0.536 79 S N 3.287 118.568 115.700 -0.698 0.000 2.419 79 S HA -0.090 4.380 4.470 -0.001 0.000 0.233 79 S C 2.204 176.388 174.600 -0.692 0.000 1.016 79 S CA 0.772 58.623 58.200 -0.583 0.000 0.974 79 S CB -1.137 61.767 63.200 -0.493 0.000 0.786 79 S HN 0.831 nan 8.310 nan 0.000 0.492 80 G N 1.985 109.949 108.800 -1.393 0.000 2.440 80 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 80 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 80 G C 1.737 176.778 174.900 0.235 0.000 1.154 80 G CA 1.386 45.960 45.100 -0.877 0.000 0.767 80 G HN 0.796 nan 8.290 nan 0.000 0.552 81 S N -0.383 115.520 115.700 0.339 0.000 2.475 81 S HA 0.156 4.625 4.470 -0.001 0.000 0.224 81 S C 1.850 176.651 174.600 0.335 0.000 1.042 81 S CA 0.871 59.492 58.200 0.700 0.000 0.935 81 S CB 0.138 63.903 63.200 0.942 0.000 0.801 81 S HN 0.356 nan 8.310 nan 0.000 0.509 82 E N 1.824 122.084 120.200 0.100 0.000 2.347 82 E HA 0.030 4.379 4.350 -0.001 0.000 0.196 82 E C 2.022 178.526 176.600 -0.160 0.000 1.008 82 E CA 0.987 57.383 56.400 -0.008 0.000 0.852 82 E CB -0.400 29.278 29.700 -0.037 0.000 0.783 82 E HN 0.835 nan 8.360 nan 0.000 0.505 83 M N -1.864 117.536 119.600 -0.333 0.000 2.539 83 M HA -0.080 4.400 4.480 -0.001 0.000 0.261 83 M C 0.893 176.757 176.300 -0.728 0.000 1.069 83 M CA 1.317 56.264 55.300 -0.588 0.000 1.081 83 M CB -0.294 31.826 32.600 -0.799 0.000 1.412 83 M HN 0.052 nan 8.290 nan 0.000 0.482 84 W N 0.778 121.967 121.300 -0.184 0.000 2.872 84 W HA 0.266 4.926 4.660 -0.001 0.000 0.266 84 W C 0.613 177.004 176.519 -0.213 0.000 1.276 84 W CA -0.905 56.303 57.345 -0.228 0.000 1.471 84 W CB -0.082 29.260 29.460 -0.196 0.000 1.071 84 W HN 0.099 nan 8.180 nan 0.000 0.619 85 N N 2.360 121.066 118.700 0.010 0.000 2.444 85 N HA 0.082 4.822 4.740 -0.001 0.000 0.255 85 N C -2.299 173.140 175.510 -0.117 0.000 1.255 85 N CA -1.176 51.847 53.050 -0.044 0.000 0.933 85 N CB -0.146 38.318 38.487 -0.039 0.000 1.143 85 N HN -0.265 nan 8.380 nan 0.000 0.453 86 P HA 0.052 nan 4.420 nan 0.000 0.268 86 P C -0.103 177.114 177.300 -0.140 0.000 1.204 86 P CA -0.049 62.960 63.100 -0.152 0.000 0.768 86 P CB 0.382 32.001 31.700 -0.136 0.000 0.842 87 N N 2.117 120.723 118.700 -0.158 0.000 2.204 87 N HA 0.081 4.821 4.740 -0.001 0.000 0.219 87 N C 0.269 175.717 175.510 -0.104 0.000 1.151 87 N CA -0.111 52.861 53.050 -0.131 0.000 0.867 87 N CB 0.408 38.805 38.487 -0.149 0.000 1.043 87 N HN 0.203 nan 8.380 nan 0.000 0.516 88 R N 0.275 120.709 120.500 -0.110 0.000 2.912 88 R HA 0.280 4.620 4.340 -0.001 0.000 0.262 88 R C -0.363 175.887 176.300 -0.084 0.000 1.057 88 R CA -0.662 55.387 56.100 -0.085 0.000 0.981 88 R CB 1.541 31.785 30.300 -0.093 0.000 1.201 88 R HN 0.324 nan 8.270 nan 0.000 0.484 89 E N 1.501 121.657 120.200 -0.073 0.000 2.404 89 E HA 0.067 4.417 4.350 -0.001 0.000 0.261 89 E C -0.564 175.987 176.600 -0.081 0.000 1.074 89 E CA 0.037 56.394 56.400 -0.072 0.000 0.917 89 E CB 0.720 30.381 29.700 -0.063 0.000 0.965 89 E HN 0.277 nan 8.360 nan 0.000 0.433 90 M N 2.299 121.850 119.600 -0.082 0.000 2.314 90 M HA 0.252 4.732 4.480 -0.001 0.000 0.342 90 M C -0.260 175.981 176.300 -0.098 0.000 1.171 90 M CA -0.217 55.025 55.300 -0.097 0.000 1.098 90 M CB 1.738 34.278 32.600 -0.100 0.000 1.559 90 M HN 0.453 nan 8.290 nan 0.000 0.459 91 S N 0.434 116.065 115.700 -0.115 0.000 2.543 91 S HA 0.230 4.700 4.470 -0.001 0.000 0.274 91 S C 0.014 174.523 174.600 -0.153 0.000 1.149 91 S CA -0.675 57.458 58.200 -0.113 0.000 0.866 91 S CB 1.490 64.651 63.200 -0.066 0.000 1.111 91 S HN 0.838 nan 8.310 nan 0.000 0.457 92 E N 0.936 121.030 120.200 -0.177 0.000 2.338 92 E HA -0.080 4.269 4.350 -0.001 0.000 0.197 92 E C -0.267 176.271 176.600 -0.103 0.000 1.007 92 E CA 0.551 56.827 56.400 -0.206 0.000 0.849 92 E CB 0.109 29.696 29.700 -0.188 0.000 0.774 92 E HN 0.527 nan 8.360 nan 0.000 0.506 93 D N 0.343 120.717 120.400 -0.043 0.000 2.470 93 D HA -0.008 4.631 4.640 -0.001 0.000 0.226 93 D C -0.061 176.323 176.300 0.138 0.000 1.196 93 D CA -0.271 53.749 54.000 0.033 0.000 0.979 93 D CB 0.002 40.843 40.800 0.068 0.000 1.059 93 D HN 0.131 nan 8.370 nan 0.000 0.515 94 c N 2.613 121.271 118.600 0.097 0.000 3.722 94 c HA 0.378 4.947 4.570 -0.001 0.000 0.279 94 c C 0.496 174.673 174.090 0.145 0.000 1.819 94 c CA -0.715 55.735 56.329 0.201 0.000 1.744 94 c CB -1.304 41.239 42.510 0.055 0.000 3.247 94 c HN 0.434 nan 8.230 nan 0.000 0.549 95 L N 2.657 123.716 121.223 -0.273 0.000 2.375 95 L HA 0.437 4.777 4.340 -0.001 0.000 0.276 95 L C -0.877 175.257 176.870 -1.227 0.000 1.162 95 L CA 0.435 54.882 54.840 -0.655 0.000 0.991 95 L CB -0.491 41.050 42.059 -0.863 0.000 1.315 95 L HN 0.373 nan 8.230 nan 0.000 0.431 96 Y N 2.141 122.324 120.300 -0.195 0.000 2.605 96 Y HA 0.674 5.223 4.550 -0.000 0.000 0.343 96 Y C -0.113 175.957 175.900 0.283 0.000 1.036 96 Y CA -1.291 56.775 58.100 -0.058 0.000 1.065 96 Y CB 1.885 40.303 38.460 -0.069 0.000 1.288 96 Y HN 0.207 nan 8.280 nan 0.000 0.481 97 L N -0.148 121.256 121.223 0.302 0.000 2.333 97 L HA 0.771 5.111 4.340 -0.001 0.000 0.263 97 L C -1.258 175.661 176.870 0.082 0.000 1.014 97 L CA -1.142 53.805 54.840 0.177 0.000 0.820 97 L CB 1.802 43.866 42.059 0.009 0.000 1.352 97 L HN 0.464 nan 8.230 nan 0.000 0.421 98 N N 1.690 120.445 118.700 0.092 0.000 2.269 98 N HA 0.717 5.456 4.740 -0.001 0.000 0.304 98 N C -1.301 174.164 175.510 -0.075 0.000 1.072 98 N CA -0.260 52.766 53.050 -0.040 0.000 0.802 98 N CB 2.758 41.218 38.487 -0.046 0.000 1.348 98 N HN 0.658 nan 8.380 nan 0.000 0.484 99 I N 0.363 120.807 120.570 -0.209 0.000 2.499 99 I HA 0.384 4.553 4.170 -0.001 0.000 0.288 99 I C -0.732 175.353 176.117 -0.054 0.000 1.048 99 I CA -0.714 60.551 61.300 -0.058 0.000 1.062 99 I CB 2.137 40.025 38.000 -0.188 0.000 1.238 99 I HN 0.240 nan 8.210 nan 0.000 0.426 100 W N 5.696 127.124 121.300 0.212 0.000 2.429 100 W HA 0.590 5.250 4.660 -0.001 0.000 0.314 100 W C -0.935 175.724 176.519 0.232 0.000 1.062 100 W CA -0.678 56.789 57.345 0.204 0.000 1.211 100 W CB 2.250 31.801 29.460 0.152 0.000 1.305 100 W HN 0.105 nan 8.180 nan 0.000 0.476 101 V N 5.053 125.237 119.914 0.450 0.000 2.487 101 V HA 0.259 4.379 4.120 -0.001 0.000 0.298 101 V C -1.987 174.305 176.094 0.329 0.000 1.028 101 V CA -2.315 60.223 62.300 0.396 0.000 0.860 101 V CB 1.916 34.046 31.823 0.511 0.000 0.991 101 V HN 0.261 nan 8.190 nan 0.000 0.427 102 P HA 0.081 nan 4.420 nan 0.000 0.269 102 P C -0.524 176.911 177.300 0.225 0.000 1.211 102 P CA 0.266 63.513 63.100 0.245 0.000 0.781 102 P CB 0.506 32.321 31.700 0.191 0.000 0.877 103 S N 1.263 117.090 115.700 0.212 0.000 2.561 103 S HA 0.541 5.011 4.470 -0.001 0.000 0.303 103 S C -2.476 172.217 174.600 0.155 0.000 1.110 103 S CA -1.517 56.788 58.200 0.174 0.000 1.034 103 S CB 0.121 63.416 63.200 0.160 0.000 1.010 103 S HN 0.250 nan 8.310 nan 0.000 0.482 104 P HA 0.194 nan 4.420 nan 0.000 0.272 104 P C -0.505 176.872 177.300 0.129 0.000 1.223 104 P CA -0.590 62.578 63.100 0.114 0.000 0.784 104 P CB 0.406 32.158 31.700 0.088 0.000 0.923 105 R N 2.469 123.052 120.500 0.138 0.000 2.485 105 R HA 0.052 4.392 4.340 -0.001 0.000 0.304 105 R C -1.867 174.505 176.300 0.120 0.000 0.934 105 R CA -0.762 55.430 56.100 0.154 0.000 1.102 105 R CB -0.502 29.887 30.300 0.149 0.000 0.906 105 R HN 0.372 nan 8.270 nan 0.000 0.407 106 P HA 0.038 nan 4.420 nan 0.000 0.272 106 P C -0.168 177.174 177.300 0.071 0.000 1.254 106 P CA -0.321 62.834 63.100 0.092 0.000 0.795 106 P CB 0.671 32.429 31.700 0.098 0.000 1.022 107 K N -0.733 119.695 120.400 0.047 0.000 2.240 107 K HA 0.168 4.488 4.320 -0.001 0.000 0.202 107 K C 0.534 177.138 176.600 0.006 0.000 1.053 107 K CA 0.925 57.227 56.287 0.024 0.000 0.973 107 K CB -0.236 32.273 32.500 0.016 0.000 0.924 107 K HN 0.351 nan 8.250 nan 0.000 0.477 108 S N 0.972 116.678 115.700 0.010 0.000 2.689 108 S HA 0.151 4.621 4.470 -0.001 0.000 0.151 108 S C -1.045 173.558 174.600 0.005 0.000 1.155 108 S CA -0.366 57.830 58.200 -0.007 0.000 1.144 108 S CB 0.215 63.399 63.200 -0.026 0.000 1.526 108 S HN 0.146 nan 8.310 nan 0.000 0.419 109 T N 1.591 116.160 114.554 0.024 0.000 2.938 109 T HA 0.593 4.942 4.350 -0.001 0.000 0.285 109 T C 0.073 174.789 174.700 0.027 0.000 1.028 109 T CA -0.062 62.054 62.100 0.028 0.000 1.005 109 T CB 1.285 70.181 68.868 0.047 0.000 1.157 109 T HN 0.429 nan 8.240 nan 0.000 0.550 110 T N 2.210 116.776 114.554 0.020 0.000 2.905 110 T HA 0.260 4.609 4.350 -0.001 0.000 0.299 110 T C -0.260 174.466 174.700 0.044 0.000 1.024 110 T CA -0.018 62.091 62.100 0.016 0.000 1.151 110 T CB -0.045 68.822 68.868 -0.002 0.000 0.987 110 T HN 0.402 nan 8.240 nan 0.000 0.535 111 V N 5.625 125.570 119.914 0.051 0.000 2.513 111 V HA 0.509 4.629 4.120 -0.001 0.000 0.299 111 V C 0.057 176.212 176.094 0.102 0.000 1.035 111 V CA -0.759 61.596 62.300 0.091 0.000 0.889 111 V CB 1.687 33.567 31.823 0.096 0.000 0.988 111 V HN 0.833 nan 8.190 nan 0.000 0.440 112 M N 4.526 124.213 119.600 0.145 0.000 2.253 112 M HA 0.585 5.064 4.480 -0.001 0.000 0.314 112 M C -1.334 175.213 176.300 0.411 0.000 1.019 112 M CA -0.672 54.737 55.300 0.182 0.000 0.932 112 M CB 2.297 34.872 32.600 -0.042 0.000 1.606 112 M HN 0.348 nan 8.290 nan 0.000 0.430 113 V N 2.957 123.168 119.914 0.495 0.000 2.378 113 V HA 0.351 4.471 4.120 -0.001 0.000 0.288 113 V C -0.906 175.512 176.094 0.540 0.000 1.016 113 V CA -0.625 61.944 62.300 0.448 0.000 0.840 113 V CB 1.610 33.566 31.823 0.223 0.000 0.994 113 V HN 0.873 nan 8.190 nan 0.000 0.431 114 W N 7.024 128.434 121.300 0.183 0.000 2.351 114 W HA 0.642 5.302 4.660 -0.000 0.000 0.311 114 W C -1.352 175.067 176.519 -0.168 0.000 1.168 114 W CA -0.755 56.433 57.345 -0.261 0.000 1.200 114 W CB 1.229 30.545 29.460 -0.241 0.000 1.221 114 W HN 0.440 nan 8.180 nan 0.000 0.519 115 I N 9.104 129.104 120.570 -0.951 0.000 2.382 115 I HA 0.069 4.239 4.170 -0.001 0.000 0.285 115 I C -0.279 175.081 176.117 -1.262 0.000 1.007 115 I CA -1.143 59.651 61.300 -0.843 0.000 1.142 115 I CB 0.724 38.398 38.000 -0.544 0.000 1.289 115 I HN 0.298 nan 8.210 nan 0.000 0.453 116 Y N 4.658 124.492 120.300 -0.777 0.000 2.457 116 Y HA 0.649 5.198 4.550 -0.000 0.000 0.341 116 Y C 0.742 176.488 175.900 -0.255 0.000 1.240 116 Y CA -0.906 56.844 58.100 -0.584 0.000 1.437 116 Y CB -0.072 38.302 38.460 -0.144 0.000 1.328 116 Y HN 0.541 nan 8.280 nan 0.000 0.588 117 G N -0.304 108.516 108.800 0.033 0.000 2.543 117 G HA2 0.476 4.436 3.960 -0.001 0.000 0.267 117 G HA3 0.476 4.436 3.960 -0.001 0.000 0.267 117 G C 0.351 175.242 174.900 -0.015 0.000 1.406 117 G CA -0.870 44.204 45.100 -0.045 0.000 1.048 117 G HN 1.780 nan 8.290 nan 0.000 0.548 118 G N -2.884 105.772 108.800 -0.240 0.000 2.192 118 G HA2 0.392 4.352 3.960 -0.001 0.000 0.152 118 G HA3 0.392 4.352 3.960 -0.001 0.000 0.152 118 G C 1.082 175.589 174.900 -0.655 0.000 1.057 118 G CA 0.677 45.526 45.100 -0.418 0.000 0.748 118 G HN 2.326 nan 8.290 nan 0.000 0.488 119 G N -0.515 107.856 108.800 -0.715 0.000 2.212 119 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.267 119 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.267 119 G C 0.947 175.624 174.900 -0.372 0.000 1.002 119 G CA 0.885 45.267 45.100 -1.198 0.000 0.729 119 G HN 1.799 nan 8.290 nan 0.000 0.517 120 F N -3.423 116.481 119.950 -0.076 0.000 2.871 120 F HA -0.319 4.207 4.527 -0.000 0.000 0.326 120 F C 1.458 177.443 175.800 0.309 0.000 0.675 120 F CA 2.168 60.245 58.000 0.129 0.000 1.188 120 F CB -2.079 36.834 39.000 -0.145 0.000 1.567 120 F HN 0.905 nan 8.300 nan 0.000 0.325 121 Y N -0.998 119.474 120.300 0.286 0.000 2.453 121 Y HA 0.650 5.199 4.550 -0.001 0.000 0.247 121 Y C 0.608 176.664 175.900 0.260 0.000 1.124 121 Y CA 0.317 58.647 58.100 0.382 0.000 1.243 121 Y CB 0.077 38.834 38.460 0.495 0.000 1.213 121 Y HN 0.092 nan 8.280 nan 0.000 0.523 122 S N -0.759 114.661 115.700 -0.467 0.000 2.672 122 S HA 0.878 5.347 4.470 -0.001 0.000 0.271 122 S C -0.230 174.174 174.600 -0.326 0.000 1.171 122 S CA -0.522 57.432 58.200 -0.410 0.000 0.817 122 S CB 1.410 64.202 63.200 -0.681 0.000 1.150 122 S HN 1.325 nan 8.310 nan 0.000 0.478 123 G N -0.315 108.257 108.800 -0.381 0.000 2.465 123 G HA2 0.421 4.380 3.960 -0.001 0.000 0.681 123 G HA3 0.421 4.380 3.960 -0.001 0.000 0.681 123 G C -0.995 173.207 174.900 -1.163 0.000 1.340 123 G CA -0.328 44.382 45.100 -0.649 0.000 0.884 123 G HN 1.411 nan 8.290 nan 0.000 0.650 124 S N -0.912 114.082 115.700 -1.178 0.000 2.541 124 S HA 0.700 5.170 4.470 -0.001 0.000 0.271 124 S C 0.892 175.288 174.600 -0.340 0.000 1.133 124 S CA 0.067 57.807 58.200 -0.768 0.000 0.876 124 S CB 1.826 64.808 63.200 -0.363 0.000 1.105 124 S HN 1.957 nan 8.310 nan 0.000 0.470 125 S N -0.336 115.392 115.700 0.046 0.000 2.593 125 S HA -0.020 4.450 4.470 -0.001 0.000 0.217 125 S C 1.235 175.931 174.600 0.160 0.000 0.966 125 S CA 0.684 59.109 58.200 0.375 0.000 0.914 125 S CB -0.580 62.872 63.200 0.420 0.000 0.776 125 S HN 0.845 nan 8.310 nan 0.000 0.523 126 T N -0.212 114.240 114.554 -0.170 0.000 3.092 126 T HA 0.420 4.769 4.350 -0.001 0.000 0.258 126 T C 0.431 174.861 174.700 -0.450 0.000 1.031 126 T CA -0.582 61.132 62.100 -0.643 0.000 0.925 126 T CB -0.521 67.756 68.868 -0.985 0.000 1.036 126 T HN 0.307 nan 8.240 nan 0.000 0.544 127 L N 2.103 123.142 121.223 -0.306 0.000 2.483 127 L HA 0.158 4.498 4.340 -0.001 0.000 0.276 127 L C 1.296 177.934 176.870 -0.387 0.000 1.213 127 L CA -0.484 54.090 54.840 -0.443 0.000 0.843 127 L CB 0.344 41.924 42.059 -0.798 0.000 1.107 127 L HN 0.084 nan 8.230 nan 0.000 0.487 128 D N 1.272 121.466 120.400 -0.343 0.000 2.123 128 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 128 D C 2.002 178.095 176.300 -0.345 0.000 0.992 128 D CA 1.359 55.213 54.000 -0.243 0.000 0.833 128 D CB -0.086 40.585 40.800 -0.215 0.000 0.954 128 D HN 0.530 nan 8.370 nan 0.000 0.455 129 V N -1.041 118.527 119.914 -0.576 0.000 2.867 129 V HA -0.179 3.941 4.120 -0.001 0.000 0.260 129 V C 1.340 177.002 176.094 -0.719 0.000 1.099 129 V CA 1.113 63.046 62.300 -0.612 0.000 1.122 129 V CB -1.117 30.250 31.823 -0.761 0.000 0.708 129 V HN 0.082 nan 8.190 nan 0.000 0.490 130 Y N -0.051 119.804 120.300 -0.742 0.000 2.485 130 Y HA 0.416 4.966 4.550 -0.000 0.000 0.260 130 Y C 1.146 176.596 175.900 -0.750 0.000 1.173 130 Y CA -1.728 55.635 58.100 -1.228 0.000 1.252 130 Y CB -0.996 37.051 38.460 -0.688 0.000 1.123 130 Y HN 0.261 nan 8.280 nan 0.000 0.524 131 N N 1.563 120.086 118.700 -0.294 0.000 2.417 131 N HA -0.044 4.696 4.740 -0.001 0.000 0.272 131 N C 1.296 176.465 175.510 -0.568 0.000 1.304 131 N CA 0.700 53.580 53.050 -0.283 0.000 0.906 131 N CB 1.079 39.503 38.487 -0.105 0.000 1.135 131 N HN 0.471 nan 8.380 nan 0.000 0.483 132 G N 3.385 111.243 108.800 -1.571 0.000 2.920 132 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.208 132 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.208 132 G C 1.428 175.709 174.900 -1.032 0.000 1.159 132 G CA 0.232 44.672 45.100 -1.099 0.000 0.784 132 G HN 0.753 nan 8.290 nan 0.000 0.535 133 K N -0.226 119.375 120.400 -1.332 0.000 2.097 133 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 133 K C 1.714 178.070 176.600 -0.406 0.000 1.049 133 K CA 1.064 56.917 56.287 -0.723 0.000 0.933 133 K CB -0.545 31.615 32.500 -0.567 0.000 0.717 133 K HN 0.382 nan 8.250 nan 0.000 0.442 134 Y N 0.983 121.209 120.300 -0.123 0.000 2.200 134 Y HA -0.148 4.402 4.550 -0.001 0.000 0.290 134 Y C 2.410 178.307 175.900 -0.005 0.000 1.137 134 Y CA 0.558 58.650 58.100 -0.014 0.000 1.163 134 Y CB -0.338 38.087 38.460 -0.058 0.000 0.988 134 Y HN 0.020 nan 8.280 nan 0.000 0.518 135 L N 0.284 121.531 121.223 0.040 0.000 2.056 135 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 135 L C 2.394 179.274 176.870 0.015 0.000 1.078 135 L CA 1.764 56.585 54.840 -0.032 0.000 0.749 135 L CB -1.166 40.786 42.059 -0.178 0.000 0.901 135 L HN 0.160 nan 8.230 nan 0.000 0.433 136 A N -1.324 121.522 122.820 0.043 0.000 1.883 136 A HA -0.310 4.009 4.320 -0.001 0.000 0.217 136 A C 2.345 180.024 177.584 0.157 0.000 1.186 136 A CA 2.017 54.133 52.037 0.133 0.000 0.624 136 A CB -1.213 17.928 19.000 0.235 0.000 0.822 136 A HN 0.624 nan 8.150 nan 0.000 0.444 137 Y N 0.917 121.237 120.300 0.032 0.000 2.109 137 Y HA -0.200 4.350 4.550 -0.001 0.000 0.285 137 Y C 2.711 178.635 175.900 0.040 0.000 1.131 137 Y CA 2.415 60.539 58.100 0.041 0.000 1.121 137 Y CB -0.440 38.029 38.460 0.016 0.000 0.987 137 Y HN 0.312 nan 8.280 nan 0.000 0.495 138 T N 0.285 114.743 114.554 -0.159 0.000 2.821 138 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 138 T C 1.220 175.825 174.700 -0.157 0.000 1.046 138 T CA 1.602 63.545 62.100 -0.262 0.000 1.139 138 T CB -0.116 68.709 68.868 -0.071 0.000 0.871 138 T HN 0.356 nan 8.240 nan 0.000 0.454 139 E N 0.397 120.564 120.200 -0.055 0.000 2.481 139 E HA 0.152 4.501 4.350 -0.001 0.000 0.198 139 E C 0.118 176.723 176.600 0.008 0.000 1.027 139 E CA -0.010 56.392 56.400 0.003 0.000 0.900 139 E CB 0.207 29.926 29.700 0.032 0.000 0.993 139 E HN 0.531 nan 8.360 nan 0.000 0.482 140 E N 0.138 120.336 120.200 -0.003 0.000 2.320 140 E HA -0.168 4.181 4.350 -0.001 0.000 0.234 140 E C -0.478 176.159 176.600 0.062 0.000 1.183 140 E CA 0.478 56.899 56.400 0.034 0.000 0.713 140 E CB -1.285 28.426 29.700 0.019 0.000 1.226 140 E HN 0.159 nan 8.360 nan 0.000 0.382 141 V N -3.441 116.519 119.914 0.077 0.000 2.919 141 V HA 0.722 4.842 4.120 -0.001 0.000 0.316 141 V C 0.394 176.574 176.094 0.143 0.000 1.077 141 V CA -1.026 61.326 62.300 0.087 0.000 0.977 141 V CB 2.242 34.097 31.823 0.054 0.000 1.039 141 V HN -0.066 nan 8.190 nan 0.000 0.441 142 V N 4.009 124.014 119.914 0.153 0.000 2.408 142 V HA 0.362 4.481 4.120 -0.001 0.000 0.267 142 V C -0.023 176.209 176.094 0.229 0.000 1.047 142 V CA -0.063 62.360 62.300 0.205 0.000 0.937 142 V CB 0.906 32.838 31.823 0.182 0.000 0.999 142 V HN 0.791 nan 8.190 nan 0.000 0.472 143 L N 7.290 128.704 121.223 0.318 0.000 2.282 143 L HA 0.634 4.973 4.340 -0.001 0.000 0.288 143 L C -0.426 176.741 176.870 0.494 0.000 1.033 143 L CA 0.227 55.302 54.840 0.391 0.000 0.807 143 L CB 1.486 43.773 42.059 0.381 0.000 1.209 143 L HN 0.424 nan 8.230 nan 0.000 0.423 144 V N 3.542 123.722 119.914 0.444 0.000 2.555 144 V HA 0.645 4.764 4.120 -0.001 0.000 0.302 144 V C -0.345 176.036 176.094 0.477 0.000 1.038 144 V CA -0.494 62.042 62.300 0.392 0.000 0.887 144 V CB 2.017 33.987 31.823 0.245 0.000 0.991 144 V HN 0.868 nan 8.190 nan 0.000 0.434 145 S N 4.851 120.836 115.700 0.475 0.000 2.519 145 S HA 0.835 5.305 4.470 -0.001 0.000 0.309 145 S C -0.774 174.010 174.600 0.307 0.000 1.100 145 S CA -0.781 57.709 58.200 0.482 0.000 1.059 145 S CB 1.532 65.113 63.200 0.635 0.000 1.008 145 S HN 0.649 nan 8.310 nan 0.000 0.478 146 L N 0.749 122.087 121.223 0.192 0.000 2.492 146 L HA 0.998 5.338 4.340 -0.001 0.000 0.263 146 L C 0.150 177.147 176.870 0.212 0.000 1.062 146 L CA -0.721 54.185 54.840 0.109 0.000 0.817 146 L CB 0.257 42.247 42.059 -0.115 0.000 1.441 146 L HN 0.856 nan 8.230 nan 0.000 0.493 147 S N -1.652 114.228 115.700 0.301 0.000 2.661 147 S HA 0.912 5.382 4.470 -0.001 0.000 0.285 147 S C -1.292 173.544 174.600 0.393 0.000 1.138 147 S CA -0.508 57.901 58.200 0.348 0.000 0.855 147 S CB 1.594 65.051 63.200 0.429 0.000 1.136 147 S HN 1.218 nan 8.310 nan 0.000 0.484 148 Y N -1.993 118.423 120.300 0.193 0.000 2.565 148 Y HA 0.647 5.197 4.550 -0.000 0.000 0.330 148 Y C -0.861 175.177 175.900 0.230 0.000 1.150 148 Y CA -1.377 56.831 58.100 0.181 0.000 1.055 148 Y CB 0.604 39.120 38.460 0.093 0.000 1.337 148 Y HN 0.775 nan 8.280 nan 0.000 0.457 149 R N 1.957 122.597 120.500 0.233 0.000 2.570 149 R HA 0.504 4.844 4.340 -0.001 0.000 0.277 149 R C -0.097 176.384 176.300 0.302 0.000 1.039 149 R CA -0.016 56.186 56.100 0.169 0.000 1.065 149 R CB 0.773 31.146 30.300 0.122 0.000 0.964 149 R HN 0.694 nan 8.270 nan 0.000 0.428 150 V N -0.283 119.837 119.914 0.343 0.000 3.181 150 V HA 0.894 5.013 4.120 -0.001 0.000 0.314 150 V C 0.742 177.230 176.094 0.655 0.000 1.173 150 V CA -0.118 62.525 62.300 0.573 0.000 1.052 150 V CB 1.180 33.225 31.823 0.369 0.000 1.123 150 V HN 0.976 nan 8.190 nan 0.000 0.454 151 G N 0.468 109.726 108.800 0.765 0.000 2.575 151 G HA2 0.016 3.976 3.960 -0.001 0.000 0.267 151 G HA3 0.016 3.976 3.960 -0.001 0.000 0.267 151 G C 1.009 176.213 174.900 0.506 0.000 1.264 151 G CA 1.027 46.567 45.100 0.733 0.000 0.935 151 G HN 2.219 nan 8.290 nan 0.000 0.568 152 A N -1.252 121.577 122.820 0.015 0.000 1.933 152 A HA 0.235 4.555 4.320 -0.001 0.000 0.218 152 A C 2.241 179.731 177.584 -0.157 0.000 1.175 152 A CA 2.494 54.148 52.037 -0.638 0.000 0.628 152 A CB -0.528 17.881 19.000 -0.984 0.000 0.814 152 A HN 0.978 nan 8.150 nan 0.000 0.444 153 F N 0.112 120.146 119.950 0.140 0.000 2.202 153 F HA -0.071 4.456 4.527 -0.001 0.000 0.301 153 F C 2.427 178.254 175.800 0.045 0.000 1.082 153 F CA 1.182 59.222 58.000 0.067 0.000 1.313 153 F CB -0.586 38.411 39.000 -0.006 0.000 1.024 153 F HN 0.297 nan 8.300 nan 0.000 0.495 154 G N -2.369 106.550 108.800 0.198 0.000 2.833 154 G HA2 0.068 4.027 3.960 -0.001 0.000 0.210 154 G HA3 0.068 4.027 3.960 -0.001 0.000 0.210 154 G C 0.757 175.202 174.900 -0.758 0.000 1.139 154 G CA 0.095 45.043 45.100 -0.254 0.000 0.771 154 G HN 0.336 nan 8.290 nan 0.000 0.535 155 F N -0.464 119.609 119.950 0.205 0.000 2.838 155 F HA 0.425 4.952 4.527 -0.001 0.000 0.329 155 F C 0.281 176.171 175.800 0.151 0.000 1.116 155 F CA -1.066 57.037 58.000 0.171 0.000 1.155 155 F CB 0.438 39.569 39.000 0.219 0.000 1.106 155 F HN -0.098 nan 8.300 nan 0.000 0.538 156 L N 2.384 123.631 121.223 0.040 0.000 2.584 156 L HA 0.399 4.739 4.340 -0.001 0.000 0.272 156 L C 0.180 177.046 176.870 -0.008 0.000 1.195 156 L CA 0.177 54.922 54.840 -0.158 0.000 0.920 156 L CB 0.056 41.755 42.059 -0.599 0.000 1.173 156 L HN 0.172 nan 8.230 nan 0.000 0.489 157 A N 7.004 129.877 122.820 0.088 0.000 2.340 157 A HA 0.636 4.955 4.320 -0.001 0.000 0.297 157 A C -0.804 176.811 177.584 0.052 0.000 1.195 157 A CA -0.489 51.595 52.037 0.077 0.000 0.769 157 A CB 0.559 19.636 19.000 0.128 0.000 1.163 157 A HN 0.704 nan 8.150 nan 0.000 0.472 158 L N 3.589 124.829 121.223 0.027 0.000 2.445 158 L HA 0.237 4.576 4.340 -0.001 0.000 0.252 158 L C -0.056 176.853 176.870 0.065 0.000 1.105 158 L CA -0.762 54.093 54.840 0.025 0.000 0.943 158 L CB 0.421 42.460 42.059 -0.033 0.000 1.277 158 L HN 0.887 nan 8.230 nan 0.000 0.465 159 H N 1.862 120.938 119.070 0.010 0.000 3.094 159 H HA 0.255 4.811 4.556 -0.001 0.000 0.320 159 H C 1.135 176.473 175.328 0.016 0.000 1.000 159 H CA 1.467 57.527 56.048 0.021 0.000 1.413 159 H CB 0.792 30.570 29.762 0.026 0.000 1.405 159 H HN 0.704 nan 8.280 nan 0.000 0.586 160 G N 2.734 111.244 108.800 -0.484 0.000 2.259 160 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 160 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 160 G C 0.370 175.180 174.900 -0.149 0.000 1.001 160 G CA 0.185 45.087 45.100 -0.330 0.000 0.627 160 G HN 0.894 nan 8.290 nan 0.000 0.501 161 S N -0.028 115.618 115.700 -0.090 0.000 2.578 161 S HA 0.622 5.092 4.470 -0.001 0.000 0.283 161 S C 1.035 175.622 174.600 -0.021 0.000 1.195 161 S CA -0.046 58.130 58.200 -0.040 0.000 1.050 161 S CB 1.558 64.745 63.200 -0.022 0.000 1.012 161 S HN 0.175 nan 8.310 nan 0.000 0.511 162 Q N 1.796 121.594 119.800 -0.003 0.000 2.384 162 Q HA 0.176 4.515 4.340 -0.001 0.000 0.207 162 Q C 1.163 177.185 176.000 0.036 0.000 0.904 162 Q CA 0.374 56.186 55.803 0.016 0.000 0.933 162 Q CB 0.132 28.879 28.738 0.015 0.000 1.077 162 Q HN 0.700 nan 8.270 nan 0.000 0.522 163 E N 0.627 120.850 120.200 0.039 0.000 2.158 163 E HA 0.035 4.385 4.350 -0.001 0.000 0.191 163 E C 0.162 176.817 176.600 0.091 0.000 0.982 163 E CA 0.624 57.065 56.400 0.068 0.000 0.823 163 E CB 0.414 30.156 29.700 0.070 0.000 0.766 163 E HN 0.129 nan 8.360 nan 0.000 0.468 164 A N 1.433 124.279 122.820 0.043 0.000 3.300 164 A HA 0.294 4.614 4.320 -0.001 0.000 0.300 164 A C -2.118 175.475 177.584 0.015 0.000 1.099 164 A CA -0.902 51.147 52.037 0.020 0.000 0.846 164 A CB 0.742 19.647 19.000 -0.159 0.000 1.255 164 A HN -0.117 nan 8.150 nan 0.000 0.519 165 P HA 0.163 nan 4.420 nan 0.000 0.229 165 P C 0.893 178.255 177.300 0.103 0.000 1.160 165 P CA 1.739 64.884 63.100 0.075 0.000 0.777 165 P CB 0.242 31.988 31.700 0.076 0.000 0.814 166 G N 0.532 109.377 108.800 0.074 0.000 2.663 166 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.686 166 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.686 166 G C -0.156 174.776 174.900 0.054 0.000 1.288 166 G CA -0.290 44.863 45.100 0.089 0.000 0.836 166 G HN 0.104 nan 8.290 nan 0.000 0.584 167 N N -2.427 116.313 118.700 0.066 0.000 2.778 167 N HA -0.280 4.460 4.740 -0.001 0.000 0.249 167 N C 1.908 177.310 175.510 -0.179 0.000 1.069 167 N CA 2.550 55.575 53.050 -0.041 0.000 0.831 167 N CB -1.646 36.756 38.487 -0.142 0.000 1.142 167 N HN 1.921 nan 8.380 nan 0.000 0.573 168 V N -2.997 116.794 119.914 -0.205 0.000 2.626 168 V HA 0.030 4.150 4.120 -0.001 0.000 0.252 168 V C 2.272 178.263 176.094 -0.173 0.000 1.067 168 V CA 2.223 64.445 62.300 -0.130 0.000 1.081 168 V CB -0.834 30.960 31.823 -0.048 0.000 0.686 168 V HN 0.278 nan 8.190 nan 0.000 0.468 169 G N 0.401 108.901 108.800 -0.500 0.000 2.408 169 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.217 169 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.217 169 G C 1.540 176.449 174.900 0.015 0.000 1.150 169 G CA 1.046 45.986 45.100 -0.266 0.000 0.776 169 G HN 0.525 nan 8.290 nan 0.000 0.542 170 L N -0.133 121.064 121.223 -0.044 0.000 2.093 170 L HA 0.062 4.401 4.340 -0.001 0.000 0.208 170 L C 2.828 179.781 176.870 0.137 0.000 1.085 170 L CA 0.428 55.235 54.840 -0.054 0.000 0.755 170 L CB -0.270 41.446 42.059 -0.572 0.000 0.904 170 L HN 0.181 nan 8.230 nan 0.000 0.435 171 L N -0.641 120.649 121.223 0.112 0.000 2.141 171 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 171 L C 2.183 179.162 176.870 0.183 0.000 1.094 171 L CA 0.831 55.794 54.840 0.206 0.000 0.763 171 L CB -0.598 41.554 42.059 0.156 0.000 0.908 171 L HN 0.279 nan 8.230 nan 0.000 0.437 172 D N 0.026 120.530 120.400 0.172 0.000 2.104 172 D HA -0.216 4.424 4.640 -0.001 0.000 0.194 172 D C 2.267 178.678 176.300 0.185 0.000 0.994 172 D CA 1.250 55.416 54.000 0.276 0.000 0.830 172 D CB -0.209 40.789 40.800 0.330 0.000 0.959 172 D HN 0.408 nan 8.370 nan 0.000 0.452 173 Q N 0.103 119.968 119.800 0.107 0.000 2.084 173 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 173 Q C 2.295 178.234 176.000 -0.103 0.000 0.978 173 Q CA 1.013 56.790 55.803 -0.042 0.000 0.844 173 Q CB -0.069 28.656 28.738 -0.021 0.000 0.898 173 Q HN 0.209 nan 8.270 nan 0.000 0.426 174 R N 0.671 121.201 120.500 0.049 0.000 2.081 174 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 174 R C 2.236 178.535 176.300 -0.001 0.000 1.131 174 R CA 1.491 57.597 56.100 0.010 0.000 0.960 174 R CB -0.174 30.226 30.300 0.167 0.000 0.856 174 R HN 0.263 nan 8.270 nan 0.000 0.436 175 M N 0.105 119.740 119.600 0.058 0.000 2.149 175 M HA -0.141 4.338 4.480 -0.001 0.000 0.261 175 M C 2.075 178.369 176.300 -0.010 0.000 1.064 175 M CA 2.091 57.459 55.300 0.113 0.000 1.102 175 M CB -0.049 32.718 32.600 0.279 0.000 1.369 175 M HN 0.308 nan 8.290 nan 0.000 0.408 176 A N 0.151 122.721 122.820 -0.416 0.000 1.930 176 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 176 A C 2.002 179.487 177.584 -0.164 0.000 1.175 176 A CA 1.360 52.959 52.037 -0.731 0.000 0.627 176 A CB -0.939 17.343 19.000 -1.197 0.000 0.815 176 A HN 0.585 nan 8.150 nan 0.000 0.443 177 L N -1.102 120.048 121.223 -0.122 0.000 2.141 177 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 177 L C 2.803 179.725 176.870 0.087 0.000 1.094 177 L CA 1.571 56.403 54.840 -0.013 0.000 0.763 177 L CB -0.433 41.582 42.059 -0.073 0.000 0.908 177 L HN 0.474 nan 8.230 nan 0.000 0.437 178 Q N -0.312 119.535 119.800 0.078 0.000 2.119 178 Q HA -0.245 4.094 4.340 -0.001 0.000 0.201 178 Q C 2.000 178.113 176.000 0.188 0.000 0.972 178 Q CA 1.791 57.655 55.803 0.101 0.000 0.847 178 Q CB -0.404 28.382 28.738 0.081 0.000 0.903 178 Q HN 0.469 nan 8.270 nan 0.000 0.433 179 W N -0.788 120.543 121.300 0.050 0.000 2.358 179 W HA -0.141 4.518 4.660 -0.001 0.000 0.303 179 W C 1.811 178.390 176.519 0.099 0.000 1.208 179 W CA 1.598 58.998 57.345 0.092 0.000 1.274 179 W CB -0.143 29.372 29.460 0.093 0.000 1.138 179 W HN 0.001 nan 8.180 nan 0.000 0.515 180 V N 0.088 120.216 119.914 0.357 0.000 2.295 180 V HA -0.377 3.743 4.120 -0.001 0.000 0.246 180 V C 2.573 178.715 176.094 0.079 0.000 1.049 180 V CA 2.349 64.787 62.300 0.232 0.000 1.024 180 V CB -1.323 30.624 31.823 0.207 0.000 0.648 180 V HN 0.354 nan 8.190 nan 0.000 0.447 181 H N 0.384 119.463 119.070 0.014 0.000 2.353 181 H HA -0.200 4.356 4.556 -0.001 0.000 0.298 181 H C 1.935 177.206 175.328 -0.096 0.000 1.103 181 H CA 2.241 58.273 56.048 -0.027 0.000 1.293 181 H CB -0.051 29.705 29.762 -0.010 0.000 1.372 181 H HN 0.420 nan 8.280 nan 0.000 0.501 182 D N -0.199 120.194 120.400 -0.011 0.000 2.194 182 D HA -0.049 4.591 4.640 -0.001 0.000 0.204 182 D C 1.355 177.501 176.300 -0.256 0.000 0.964 182 D CA 0.652 54.581 54.000 -0.117 0.000 0.846 182 D CB -0.003 40.748 40.800 -0.082 0.000 0.962 182 D HN 0.466 nan 8.370 nan 0.000 0.490 183 N N -0.214 118.254 118.700 -0.386 0.000 2.166 183 N HA 0.040 4.780 4.740 -0.001 0.000 0.213 183 N C 1.420 176.864 175.510 -0.109 0.000 1.222 183 N CA -0.137 52.722 53.050 -0.319 0.000 0.900 183 N CB 1.125 39.055 38.487 -0.929 0.000 1.055 183 N HN 0.033 nan 8.380 nan 0.000 0.515 184 I N 2.981 123.494 120.570 -0.095 0.000 2.567 184 I HA -0.234 3.935 4.170 -0.001 0.000 0.257 184 I C 2.591 178.716 176.117 0.013 0.000 1.184 184 I CA 1.219 62.576 61.300 0.094 0.000 1.451 184 I CB -0.148 37.889 38.000 0.062 0.000 1.089 184 I HN 0.184 nan 8.210 nan 0.000 0.441 185 Q N -0.521 119.101 119.800 -0.297 0.000 2.181 185 Q HA -0.247 4.093 4.340 -0.001 0.000 0.205 185 Q C 1.852 177.613 176.000 -0.399 0.000 0.980 185 Q CA 1.765 57.326 55.803 -0.403 0.000 0.862 185 Q CB -0.888 27.468 28.738 -0.636 0.000 0.905 185 Q HN 0.427 nan 8.270 nan 0.000 0.429 186 F N -0.195 119.708 119.950 -0.078 0.000 2.502 186 F HA 0.079 4.606 4.527 -0.001 0.000 0.298 186 F C 0.982 176.570 175.800 -0.354 0.000 1.111 186 F CA 0.394 58.249 58.000 -0.241 0.000 1.445 186 F CB -0.127 38.650 39.000 -0.372 0.000 1.081 186 F HN 0.004 nan 8.300 nan 0.000 0.558 187 F N -0.703 119.258 119.950 0.017 0.000 2.695 187 F HA 0.425 4.951 4.527 -0.001 0.000 0.303 187 F C 1.790 177.609 175.800 0.031 0.000 1.091 187 F CA 0.359 58.354 58.000 -0.009 0.000 1.300 187 F CB 0.103 39.079 39.000 -0.040 0.000 1.071 187 F HN 0.034 nan 8.300 nan 0.000 0.578 188 G N 0.069 108.951 108.800 0.137 0.000 2.176 188 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.232 188 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.232 188 G C 0.663 175.610 174.900 0.077 0.000 0.986 188 G CA -0.326 44.831 45.100 0.094 0.000 0.643 188 G HN 0.700 nan 8.290 nan 0.000 0.522 189 G N -0.260 108.593 108.800 0.089 0.000 2.476 189 G HA2 0.468 4.428 3.960 -0.001 0.000 0.269 189 G HA3 0.468 4.428 3.960 -0.001 0.000 0.269 189 G C -0.623 174.270 174.900 -0.012 0.000 1.195 189 G CA 0.417 45.551 45.100 0.057 0.000 0.843 189 G HN 0.278 nan 8.290 nan 0.000 0.545 190 D N 1.507 121.899 120.400 -0.014 0.000 2.396 190 D HA 0.248 4.888 4.640 -0.001 0.000 0.225 190 D C -1.017 175.251 176.300 -0.053 0.000 1.121 190 D CA -2.426 51.545 54.000 -0.047 0.000 0.853 190 D CB 1.739 42.520 40.800 -0.032 0.000 1.043 190 D HN 0.077 nan 8.370 nan 0.000 0.500 191 P HA -0.150 nan 4.420 nan 0.000 0.228 191 P C 0.730 177.991 177.300 -0.065 0.000 1.151 191 P CA 0.617 63.650 63.100 -0.111 0.000 0.770 191 P CB -0.009 31.527 31.700 -0.273 0.000 0.786 192 K N -1.740 118.622 120.400 -0.063 0.000 2.404 192 K HA 0.150 4.470 4.320 -0.001 0.000 0.194 192 K C 0.718 177.305 176.600 -0.021 0.000 1.023 192 K CA 0.414 56.679 56.287 -0.037 0.000 1.094 192 K CB -1.518 30.953 32.500 -0.048 0.000 0.841 192 K HN 0.094 nan 8.250 nan 0.000 0.523 193 T N 1.551 116.097 114.554 -0.014 0.000 3.532 193 T HA 0.312 4.661 4.350 -0.001 0.000 0.241 193 T C -0.685 174.028 174.700 0.021 0.000 1.238 193 T CA -0.090 62.003 62.100 -0.011 0.000 1.405 193 T CB 0.474 69.325 68.868 -0.029 0.000 0.971 193 T HN 0.352 nan 8.240 nan 0.000 0.640 194 V N 0.802 120.756 119.914 0.066 0.000 2.394 194 V HA 0.690 4.810 4.120 -0.001 0.000 0.282 194 V C -0.360 175.835 176.094 0.169 0.000 1.031 194 V CA -0.052 62.318 62.300 0.117 0.000 0.881 194 V CB 1.465 33.376 31.823 0.146 0.000 0.982 194 V HN 0.381 nan 8.190 nan 0.000 0.451 195 T N 8.689 123.330 114.554 0.145 0.000 2.758 195 T HA 0.536 4.885 4.350 -0.001 0.000 0.285 195 T C 0.021 174.853 174.700 0.220 0.000 0.981 195 T CA -0.148 62.056 62.100 0.174 0.000 0.965 195 T CB 0.647 69.570 68.868 0.092 0.000 0.927 195 T HN 0.855 nan 8.240 nan 0.000 0.448 196 I N 1.925 122.600 120.570 0.175 0.000 2.396 196 I HA 0.815 4.984 4.170 -0.001 0.000 0.292 196 I C -0.728 175.563 176.117 0.289 0.000 0.999 196 I CA -0.901 60.481 61.300 0.137 0.000 1.310 196 I CB 0.672 38.540 38.000 -0.220 0.000 1.404 196 I HN 0.464 nan 8.210 nan 0.000 0.496 197 F N 3.261 123.263 119.950 0.086 0.000 2.601 197 F HA 1.010 5.536 4.527 -0.001 0.000 0.309 197 F C -0.401 175.416 175.800 0.028 0.000 1.089 197 F CA -1.299 56.794 58.000 0.155 0.000 0.940 197 F CB 1.383 40.592 39.000 0.348 0.000 1.273 197 F HN 0.827 nan 8.300 nan 0.000 0.450 198 G N 1.025 109.743 108.800 -0.137 0.000 2.576 198 G HA2 0.492 4.451 3.960 -0.001 0.000 0.290 198 G HA3 0.492 4.451 3.960 -0.001 0.000 0.290 198 G C -2.545 172.156 174.900 -0.332 0.000 1.442 198 G CA -0.796 43.821 45.100 -0.805 0.000 0.792 198 G HN 0.872 nan 8.290 nan 0.000 0.491 199 E N 0.274 120.238 120.200 -0.394 0.000 2.256 199 E HA 0.640 4.990 4.350 -0.001 0.000 0.267 199 E C 0.674 177.251 176.600 -0.039 0.000 0.892 199 E CA 0.272 56.677 56.400 0.009 0.000 0.775 199 E CB 2.173 32.041 29.700 0.281 0.000 1.207 199 E HN 0.859 nan 8.360 nan 0.000 0.420 200 S N 2.585 118.336 115.700 0.085 0.000 4.054 200 S HA -0.399 4.071 4.470 -0.001 0.000 0.618 200 S C 1.500 176.212 174.600 0.186 0.000 2.026 200 S CA 2.232 60.558 58.200 0.210 0.000 4.205 200 S CB -1.581 61.684 63.200 0.109 0.000 0.233 200 S HN 1.003 nan 8.310 nan 0.000 0.612 201 A N 0.898 123.724 122.820 0.010 0.000 1.986 201 A HA 0.043 4.363 4.320 -0.001 0.000 0.220 201 A C 2.476 179.840 177.584 -0.367 0.000 1.171 201 A CA 2.670 54.511 52.037 -0.326 0.000 0.640 201 A CB -1.615 16.773 19.000 -1.019 0.000 0.811 201 A HN 1.614 nan 8.150 nan 0.000 0.451 202 G N -0.870 107.760 108.800 -0.284 0.000 2.408 202 G HA2 0.077 4.037 3.960 -0.001 0.000 0.217 202 G HA3 0.077 4.037 3.960 -0.001 0.000 0.217 202 G C 1.458 176.193 174.900 -0.275 0.000 1.150 202 G CA 1.175 46.055 45.100 -0.367 0.000 0.776 202 G HN 0.687 nan 8.290 nan 0.000 0.542 203 G N 0.975 109.679 108.800 -0.160 0.000 2.394 203 G HA2 0.128 4.087 3.960 -0.001 0.000 0.215 203 G HA3 0.128 4.087 3.960 -0.001 0.000 0.215 203 G C 2.043 176.858 174.900 -0.141 0.000 1.165 203 G CA 1.381 46.418 45.100 -0.106 0.000 0.784 203 G HN 0.577 nan 8.290 nan 0.000 0.535 204 A N 1.056 123.818 122.820 -0.097 0.000 1.883 204 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 204 A C 2.702 180.227 177.584 -0.098 0.000 1.186 204 A CA 2.368 54.318 52.037 -0.145 0.000 0.624 204 A CB -0.789 18.147 19.000 -0.105 0.000 0.822 204 A HN 0.305 nan 8.150 nan 0.000 0.444 205 S N -0.512 115.158 115.700 -0.050 0.000 2.365 205 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 205 S C 1.919 176.449 174.600 -0.115 0.000 1.039 205 S CA 1.486 59.639 58.200 -0.078 0.000 1.033 205 S CB -0.655 62.458 63.200 -0.145 0.000 0.887 205 S HN 0.346 nan 8.310 nan 0.000 0.447 206 V N 1.628 121.477 119.914 -0.108 0.000 2.252 206 V HA -0.238 3.882 4.120 -0.001 0.000 0.249 206 V C 2.623 178.656 176.094 -0.101 0.000 1.056 206 V CA 2.147 64.386 62.300 -0.102 0.000 1.022 206 V CB -1.502 30.243 31.823 -0.130 0.000 0.641 206 V HN 0.621 nan 8.190 nan 0.000 0.445 207 G N -1.374 107.320 108.800 -0.177 0.000 2.450 207 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.220 207 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.220 207 G C 1.602 176.487 174.900 -0.025 0.000 1.130 207 G CA 1.088 46.054 45.100 -0.223 0.000 0.760 207 G HN 0.458 nan 8.290 nan 0.000 0.557 208 M N -0.229 119.368 119.600 -0.005 0.000 2.229 208 M HA 0.002 4.482 4.480 -0.001 0.000 0.264 208 M C 2.252 178.668 176.300 0.193 0.000 1.063 208 M CA 0.929 56.356 55.300 0.211 0.000 1.114 208 M CB -0.183 32.546 32.600 0.214 0.000 1.387 208 M HN 0.211 nan 8.290 nan 0.000 0.420 209 H N -0.563 118.633 119.070 0.209 0.000 2.470 209 H HA 0.062 4.618 4.556 -0.001 0.000 0.289 209 H C 2.077 177.615 175.328 0.351 0.000 1.033 209 H CA 1.171 57.335 56.048 0.194 0.000 1.331 209 H CB -0.130 29.630 29.762 -0.004 0.000 1.414 209 H HN 0.410 nan 8.280 nan 0.000 0.545 210 I N 0.427 121.262 120.570 0.442 0.000 2.315 210 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 210 I C 2.145 178.525 176.117 0.438 0.000 1.117 210 I CA 0.788 62.425 61.300 0.561 0.000 1.404 210 I CB -0.006 38.254 38.000 0.432 0.000 1.071 210 I HN 0.102 nan 8.210 nan 0.000 0.419 211 L N -0.616 120.824 121.223 0.362 0.000 2.068 211 L HA -0.049 4.291 4.340 -0.001 0.000 0.204 211 L C 1.542 178.544 176.870 0.220 0.000 1.076 211 L CA 0.377 55.429 54.840 0.352 0.000 0.753 211 L CB -0.304 41.990 42.059 0.392 0.000 0.910 211 L HN 0.068 nan 8.230 nan 0.000 0.439 212 S N 0.154 115.903 115.700 0.082 0.000 2.481 212 S HA 0.082 4.552 4.470 -0.001 0.000 0.282 212 S C -1.485 173.011 174.600 -0.173 0.000 1.243 212 S CA -1.329 56.729 58.200 -0.237 0.000 1.078 212 S CB 0.782 63.422 63.200 -0.934 0.000 0.916 212 S HN -0.081 nan 8.310 nan 0.000 0.495 213 P HA -0.100 nan 4.420 nan 0.000 0.216 213 P C 1.449 178.671 177.300 -0.131 0.000 1.154 213 P CA 1.436 64.476 63.100 -0.100 0.000 0.865 213 P CB -0.143 31.502 31.700 -0.093 0.000 0.789 214 G N -1.729 106.937 108.800 -0.222 0.000 2.559 214 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.216 214 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.216 214 G C 1.358 176.172 174.900 -0.142 0.000 1.126 214 G CA 0.648 45.631 45.100 -0.196 0.000 0.778 214 G HN 0.248 nan 8.290 nan 0.000 0.543 215 S N -0.556 115.081 115.700 -0.106 0.000 2.506 215 S HA 0.122 4.592 4.470 -0.001 0.000 0.219 215 S C 2.150 176.856 174.600 0.176 0.000 1.031 215 S CA -0.428 57.822 58.200 0.083 0.000 0.911 215 S CB 0.231 63.620 63.200 0.315 0.000 0.812 215 S HN 0.335 nan 8.310 nan 0.000 0.497 216 R N 1.930 122.483 120.500 0.089 0.000 2.119 216 R HA -0.142 4.197 4.340 -0.001 0.000 0.246 216 R C 0.848 176.970 176.300 -0.296 0.000 1.146 216 R CA 1.780 57.842 56.100 -0.062 0.000 0.962 216 R CB -0.452 29.819 30.300 -0.048 0.000 0.863 216 R HN 0.305 nan 8.270 nan 0.000 0.442 217 D N 0.248 120.548 120.400 -0.167 0.000 2.347 217 D HA -0.025 4.615 4.640 -0.001 0.000 0.215 217 D C 1.248 177.457 176.300 -0.152 0.000 0.976 217 D CA 0.709 54.603 54.000 -0.176 0.000 0.884 217 D CB 0.085 40.807 40.800 -0.131 0.000 0.915 217 D HN 0.233 nan 8.370 nan 0.000 0.526 218 L N -0.038 121.140 121.223 -0.075 0.000 2.627 218 L HA 0.172 4.512 4.340 -0.001 0.000 0.232 218 L C -0.197 176.808 176.870 0.225 0.000 1.150 218 L CA -0.152 54.719 54.840 0.053 0.000 0.917 218 L CB -0.477 41.627 42.059 0.074 0.000 1.104 218 L HN -0.058 nan 8.230 nan 0.000 0.445 219 F N -4.490 115.480 119.950 0.033 0.000 2.713 219 F HA 0.543 5.070 4.527 -0.000 0.000 0.311 219 F C 0.318 176.148 175.800 0.050 0.000 1.141 219 F CA -1.357 56.671 58.000 0.047 0.000 0.939 219 F CB 1.129 40.156 39.000 0.044 0.000 1.325 219 F HN -0.394 nan 8.300 nan 0.000 0.453 220 R N 0.696 121.269 120.500 0.120 0.000 2.103 220 R HA 0.494 4.833 4.340 -0.001 0.000 0.212 220 R C -0.070 176.280 176.300 0.082 0.000 1.107 220 R CA 0.969 57.071 56.100 0.004 0.000 1.025 220 R CB 0.321 30.628 30.300 0.012 0.000 0.929 220 R HN 0.779 nan 8.270 nan 0.000 0.456 221 R N -1.427 119.230 120.500 0.262 0.000 2.817 221 R HA 0.744 5.084 4.340 -0.001 0.000 0.268 221 R C -1.611 174.937 176.300 0.414 0.000 1.027 221 R CA -0.673 55.582 56.100 0.258 0.000 0.928 221 R CB 2.276 32.536 30.300 -0.067 0.000 1.228 221 R HN 0.194 nan 8.270 nan 0.000 0.469 222 A N 1.415 124.481 122.820 0.410 0.000 2.515 222 A HA 0.722 5.042 4.320 -0.001 0.000 0.298 222 A C -1.233 176.476 177.584 0.208 0.000 1.059 222 A CA -0.608 51.596 52.037 0.278 0.000 0.698 222 A CB 1.325 20.440 19.000 0.191 0.000 1.289 222 A HN 0.562 nan 8.150 nan 0.000 0.404 223 I N 1.773 122.417 120.570 0.123 0.000 2.466 223 I HA 0.372 4.542 4.170 -0.001 0.000 0.289 223 I C -1.516 174.645 176.117 0.074 0.000 1.026 223 I CA -0.588 60.710 61.300 -0.003 0.000 1.078 223 I CB 1.901 39.873 38.000 -0.047 0.000 1.249 223 I HN 0.432 nan 8.210 nan 0.000 0.429 224 L N 6.707 127.940 121.223 0.016 0.000 2.325 224 L HA 0.452 4.791 4.340 -0.001 0.000 0.281 224 L C -0.469 176.478 176.870 0.129 0.000 1.004 224 L CA -0.283 54.574 54.840 0.029 0.000 0.823 224 L CB 1.530 43.534 42.059 -0.091 0.000 1.236 224 L HN 0.484 nan 8.230 nan 0.000 0.415 225 Q N 1.873 121.811 119.800 0.230 0.000 2.348 225 Q HA 0.483 4.823 4.340 -0.001 0.000 0.265 225 Q C 0.000 176.156 176.000 0.260 0.000 0.998 225 Q CA -0.562 55.459 55.803 0.364 0.000 0.831 225 Q CB 1.488 30.547 28.738 0.537 0.000 1.251 225 Q HN 0.652 nan 8.270 nan 0.000 0.456 226 S N 0.993 116.837 115.700 0.241 0.000 3.614 226 S HA -0.165 4.305 4.470 -0.001 0.000 0.360 226 S C 0.019 174.794 174.600 0.291 0.000 1.023 226 S CA 0.577 58.941 58.200 0.275 0.000 1.114 226 S CB -1.160 62.259 63.200 0.366 0.000 0.907 226 S HN 0.977 nan 8.310 nan 0.000 0.470 227 G N -0.367 108.531 108.800 0.163 0.000 2.616 227 G HA2 0.647 4.607 3.960 -0.001 0.000 0.294 227 G HA3 0.647 4.607 3.960 -0.001 0.000 0.294 227 G C -0.982 173.873 174.900 -0.076 0.000 1.489 227 G CA 0.157 45.352 45.100 0.159 0.000 0.836 227 G HN 1.178 nan 8.290 nan 0.000 0.527 228 S N 0.767 116.341 115.700 -0.209 0.000 2.570 228 S HA 0.779 5.249 4.470 -0.001 0.000 0.270 228 S C -2.229 172.083 174.600 -0.480 0.000 1.149 228 S CA -0.912 57.015 58.200 -0.454 0.000 0.837 228 S CB 2.905 65.829 63.200 -0.460 0.000 1.124 228 S HN 0.447 nan 8.310 nan 0.000 0.465 229 P HA -0.100 nan 4.420 nan 0.000 0.220 229 P C 0.528 177.589 177.300 -0.398 0.000 1.148 229 P CA 1.278 64.135 63.100 -0.405 0.000 0.803 229 P CB -0.318 31.196 31.700 -0.310 0.000 0.782 230 N N -0.787 117.712 118.700 -0.336 0.000 2.370 230 N HA -0.010 4.729 4.740 -0.001 0.000 0.198 230 N C 0.074 175.344 175.510 -0.400 0.000 1.156 230 N CA -0.235 52.647 53.050 -0.281 0.000 0.839 230 N CB -1.455 36.983 38.487 -0.083 0.000 0.989 230 N HN 0.035 nan 8.380 nan 0.000 0.468 231 C N 2.852 121.795 119.300 -0.595 0.000 2.634 231 C HA 0.075 4.535 4.460 -0.001 0.000 0.417 231 C C -0.093 174.403 174.990 -0.823 0.000 1.334 231 C CA -0.890 57.630 59.018 -0.829 0.000 1.829 231 C CB 1.073 27.957 27.740 -1.428 0.000 2.665 231 C HN 0.366 nan 8.230 nan 0.000 0.614 232 P HA -0.110 nan 4.420 nan 0.000 0.222 232 P C 1.144 178.244 177.300 -0.332 0.000 1.147 232 P CA 1.805 64.621 63.100 -0.472 0.000 0.790 232 P CB -0.074 31.348 31.700 -0.465 0.000 0.780 233 W N -1.391 119.783 121.300 -0.210 0.000 3.211 233 W HA 0.568 5.228 4.660 -0.000 0.000 0.292 233 W C 1.132 177.724 176.519 0.122 0.000 1.268 233 W CA 0.333 57.649 57.345 -0.048 0.000 1.702 233 W CB -1.055 28.430 29.460 0.041 0.000 1.092 233 W HN -0.110 nan 8.180 nan 0.000 0.643 234 A N 1.355 123.892 122.820 -0.470 0.000 2.178 234 A HA 0.199 4.519 4.320 -0.001 0.000 0.211 234 A C 0.999 178.406 177.584 -0.294 0.000 1.157 234 A CA 1.067 52.930 52.037 -0.291 0.000 0.780 234 A CB -0.502 18.063 19.000 -0.725 0.000 0.828 234 A HN 0.206 nan 8.150 nan 0.000 0.476 235 S N -1.718 113.802 115.700 -0.299 0.000 2.596 235 S HA 0.672 5.141 4.470 -0.001 0.000 0.270 235 S C -0.776 173.690 174.600 -0.223 0.000 1.155 235 S CA -0.070 57.944 58.200 -0.311 0.000 0.827 235 S CB 1.354 64.302 63.200 -0.421 0.000 1.130 235 S HN 1.304 nan 8.310 nan 0.000 0.467 236 V N -1.137 118.665 119.914 -0.187 0.000 3.160 236 V HA 0.943 5.063 4.120 -0.001 0.000 0.310 236 V C 0.149 176.168 176.094 -0.125 0.000 1.181 236 V CA -0.465 61.749 62.300 -0.143 0.000 1.047 236 V CB 1.111 32.862 31.823 -0.120 0.000 1.068 236 V HN 1.493 nan 8.190 nan 0.000 0.441 237 S N 0.481 116.119 115.700 -0.104 0.000 2.624 237 S HA 0.389 4.859 4.470 -0.001 0.000 0.263 237 S C 1.260 175.815 174.600 -0.075 0.000 1.287 237 S CA 0.031 58.176 58.200 -0.091 0.000 0.990 237 S CB 1.239 64.394 63.200 -0.075 0.000 0.950 237 S HN 2.086 nan 8.310 nan 0.000 0.561 238 V N -1.528 118.333 119.914 -0.087 0.000 2.515 238 V HA 0.054 4.174 4.120 -0.001 0.000 0.250 238 V C 2.538 178.621 176.094 -0.019 0.000 1.058 238 V CA 1.519 63.778 62.300 -0.068 0.000 1.064 238 V CB -2.018 29.704 31.823 -0.169 0.000 0.675 238 V HN 0.984 nan 8.190 nan 0.000 0.461 239 A N 0.772 123.575 122.820 -0.027 0.000 1.898 239 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 239 A C 2.215 179.780 177.584 -0.031 0.000 1.181 239 A CA 1.896 53.923 52.037 -0.016 0.000 0.620 239 A CB -0.562 18.428 19.000 -0.018 0.000 0.819 239 A HN 0.636 nan 8.150 nan 0.000 0.442 240 E N 0.143 120.312 120.200 -0.051 0.000 2.107 240 E HA 0.004 4.353 4.350 -0.001 0.000 0.191 240 E C 1.935 178.491 176.600 -0.072 0.000 0.982 240 E CA 1.440 57.794 56.400 -0.077 0.000 0.809 240 E CB -0.780 28.863 29.700 -0.096 0.000 0.756 240 E HN 0.366 nan 8.360 nan 0.000 0.459 241 G N 0.833 109.608 108.800 -0.041 0.000 2.418 241 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.217 241 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.217 241 G C 1.749 176.667 174.900 0.030 0.000 1.158 241 G CA 0.880 45.982 45.100 0.004 0.000 0.771 241 G HN 0.335 nan 8.290 nan 0.000 0.545 242 R N 0.270 120.782 120.500 0.020 0.000 2.083 242 R HA -0.042 4.297 4.340 -0.001 0.000 0.237 242 R C 2.564 178.866 176.300 0.004 0.000 1.137 242 R CA 1.539 57.652 56.100 0.021 0.000 0.951 242 R CB -0.391 29.924 30.300 0.025 0.000 0.851 242 R HN 0.283 nan 8.270 nan 0.000 0.434 243 R N 0.548 121.035 120.500 -0.021 0.000 2.105 243 R HA -0.134 4.205 4.340 -0.001 0.000 0.239 243 R C 2.106 178.377 176.300 -0.048 0.000 1.135 243 R CA 1.765 57.840 56.100 -0.041 0.000 0.967 243 R CB -0.093 30.166 30.300 -0.067 0.000 0.861 243 R HN 0.306 nan 8.270 nan 0.000 0.442 244 R N -0.373 120.091 120.500 -0.059 0.000 2.090 244 R HA 0.006 4.346 4.340 -0.001 0.000 0.228 244 R C 2.341 178.700 176.300 0.099 0.000 1.110 244 R CA 1.099 57.153 56.100 -0.077 0.000 0.973 244 R CB -0.226 29.915 30.300 -0.265 0.000 0.869 244 R HN 0.216 nan 8.270 nan 0.000 0.440 245 A N 0.739 123.649 122.820 0.150 0.000 1.877 245 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 245 A C 2.315 179.923 177.584 0.040 0.000 1.186 245 A CA 1.387 53.502 52.037 0.129 0.000 0.620 245 A CB -0.558 18.457 19.000 0.025 0.000 0.822 245 A HN 0.104 nan 8.150 nan 0.000 0.443 246 V N 0.038 119.962 119.914 0.016 0.000 2.343 246 V HA -0.228 3.892 4.120 -0.001 0.000 0.247 246 V C 2.596 178.695 176.094 0.009 0.000 1.051 246 V CA 2.393 64.694 62.300 0.002 0.000 1.036 246 V CB -0.709 31.110 31.823 -0.006 0.000 0.654 246 V HN 0.710 nan 8.190 nan 0.000 0.451 247 E N 0.233 120.437 120.200 0.007 0.000 2.153 247 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 247 E C 1.900 178.522 176.600 0.036 0.000 0.988 247 E CA 1.137 57.539 56.400 0.003 0.000 0.811 247 E CB -0.369 29.311 29.700 -0.034 0.000 0.746 247 E HN 0.457 nan 8.360 nan 0.000 0.466 248 L N -0.300 120.972 121.223 0.082 0.000 2.027 248 L HA 0.044 4.384 4.340 -0.001 0.000 0.206 248 L C 2.215 179.117 176.870 0.054 0.000 1.074 248 L CA 2.302 57.209 54.840 0.112 0.000 0.745 248 L CB -1.011 41.156 42.059 0.179 0.000 0.898 248 L HN 0.245 nan 8.230 nan 0.000 0.433 249 G N -0.963 107.852 108.800 0.025 0.000 2.442 249 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.219 249 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.219 249 G C 1.807 176.721 174.900 0.023 0.000 1.141 249 G CA 0.809 45.917 45.100 0.013 0.000 0.763 249 G HN 0.401 nan 8.290 nan 0.000 0.554 250 R N 0.394 120.907 120.500 0.022 0.000 2.120 250 R HA -0.025 4.315 4.340 -0.001 0.000 0.234 250 R C 2.179 178.496 176.300 0.028 0.000 1.123 250 R CA 1.195 57.307 56.100 0.020 0.000 0.975 250 R CB -0.314 29.993 30.300 0.012 0.000 0.866 250 R HN 0.321 nan 8.270 nan 0.000 0.446 251 N N 0.295 119.017 118.700 0.037 0.000 2.381 251 N HA -0.105 4.635 4.740 -0.001 0.000 0.182 251 N C 0.952 176.491 175.510 0.048 0.000 1.025 251 N CA 0.848 53.925 53.050 0.046 0.000 0.888 251 N CB 0.167 38.691 38.487 0.062 0.000 0.965 251 N HN 0.271 nan 8.380 nan 0.000 0.438 252 L N 0.610 121.860 121.223 0.045 0.000 2.769 252 L HA 0.204 4.544 4.340 -0.001 0.000 0.240 252 L C -0.192 176.701 176.870 0.039 0.000 1.163 252 L CA -0.110 54.757 54.840 0.045 0.000 0.962 252 L CB -0.057 42.029 42.059 0.045 0.000 1.258 252 L HN 0.015 nan 8.230 nan 0.000 0.513 253 N N -0.778 117.943 118.700 0.035 0.000 2.758 253 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 253 N C -0.175 175.355 175.510 0.033 0.000 1.076 253 N CA 0.494 53.563 53.050 0.032 0.000 0.696 253 N CB -1.886 36.621 38.487 0.032 0.000 0.979 253 N HN 0.291 nan 8.380 nan 0.000 0.550 254 c N 0.930 119.549 118.600 0.032 0.000 2.443 254 c HA 0.260 4.829 4.570 -0.001 0.000 0.369 254 c C 1.369 175.479 174.090 0.033 0.000 1.241 254 c CA -0.904 55.447 56.329 0.036 0.000 2.413 254 c CB 1.026 43.555 42.510 0.031 0.000 2.451 254 c HN 0.390 nan 8.230 nan 0.000 0.595 255 N N 1.587 120.312 118.700 0.041 0.000 2.475 255 N HA 0.144 4.884 4.740 -0.001 0.000 0.267 255 N C -0.032 175.495 175.510 0.027 0.000 1.169 255 N CA 0.174 53.245 53.050 0.034 0.000 0.947 255 N CB 0.458 38.970 38.487 0.041 0.000 1.061 255 N HN 0.627 nan 8.380 nan 0.000 0.466 256 L N 3.002 124.236 121.223 0.018 0.000 2.769 256 L HA 0.219 4.558 4.340 -0.001 0.000 0.240 256 L C 1.336 178.211 176.870 0.009 0.000 1.163 256 L CA -0.109 54.738 54.840 0.012 0.000 0.962 256 L CB -0.256 41.808 42.059 0.008 0.000 1.258 256 L HN 0.531 nan 8.230 nan 0.000 0.513 257 N N 0.340 119.047 118.700 0.010 0.000 2.289 257 N HA -0.092 4.647 4.740 -0.001 0.000 0.184 257 N C 0.509 176.022 175.510 0.005 0.000 1.016 257 N CA 0.936 53.990 53.050 0.007 0.000 0.872 257 N CB 0.251 38.742 38.487 0.007 0.000 0.973 257 N HN 0.376 nan 8.380 nan 0.000 0.433 258 S N -1.520 114.184 115.700 0.007 0.000 2.565 258 S HA 0.235 4.705 4.470 -0.001 0.000 0.269 258 S C -0.320 174.284 174.600 0.006 0.000 1.153 258 S CA -0.944 57.259 58.200 0.005 0.000 0.835 258 S CB 1.686 64.889 63.200 0.005 0.000 1.122 258 S HN -0.206 nan 8.310 nan 0.000 0.462 259 D N 1.500 121.901 120.400 0.001 0.000 2.116 259 D HA -0.084 4.555 4.640 -0.001 0.000 0.193 259 D C 2.057 178.363 176.300 0.010 0.000 0.998 259 D CA 2.015 56.012 54.000 -0.005 0.000 0.836 259 D CB -0.486 40.308 40.800 -0.010 0.000 0.951 259 D HN 0.668 nan 8.370 nan 0.000 0.449 260 E N 0.784 120.997 120.200 0.021 0.000 2.085 260 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 260 E C 2.068 178.714 176.600 0.075 0.000 0.994 260 E CA 1.012 57.440 56.400 0.045 0.000 0.801 260 E CB -0.427 29.291 29.700 0.030 0.000 0.743 260 E HN 0.505 nan 8.360 nan 0.000 0.453 261 E N -0.021 120.211 120.200 0.052 0.000 2.047 261 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 261 E C 2.281 178.936 176.600 0.091 0.000 0.987 261 E CA 1.004 57.447 56.400 0.072 0.000 0.799 261 E CB -0.421 29.302 29.700 0.039 0.000 0.752 261 E HN 0.242 nan 8.360 nan 0.000 0.449 262 L N 1.432 122.681 121.223 0.044 0.000 1.994 262 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 262 L C 2.262 179.136 176.870 0.008 0.000 1.071 262 L CA 1.519 56.368 54.840 0.015 0.000 0.745 262 L CB -0.660 41.387 42.059 -0.020 0.000 0.892 262 L HN 0.052 nan 8.230 nan 0.000 0.431 263 I N -0.893 119.680 120.570 0.005 0.000 2.226 263 I HA -0.338 3.831 4.170 -0.001 0.000 0.245 263 I C 2.628 178.807 176.117 0.103 0.000 1.100 263 I CA 1.594 62.903 61.300 0.016 0.000 1.374 263 I CB -0.712 37.306 38.000 0.029 0.000 1.057 263 I HN 0.495 nan 8.210 nan 0.000 0.413 264 H N 0.516 119.622 119.070 0.060 0.000 2.353 264 H HA -0.253 4.303 4.556 -0.001 0.000 0.300 264 H C 2.450 177.820 175.328 0.071 0.000 1.090 264 H CA 2.240 58.328 56.048 0.067 0.000 1.327 264 H CB -0.160 29.628 29.762 0.043 0.000 1.383 264 H HN 0.502 nan 8.280 nan 0.000 0.508 265 c N 0.860 119.477 118.600 0.028 0.000 2.453 265 c HA -0.062 4.508 4.570 -0.001 0.000 0.277 265 c C 3.059 177.140 174.090 -0.015 0.000 1.262 265 c CA 0.688 57.021 56.329 0.007 0.000 1.718 265 c CB -1.387 41.164 42.510 0.069 0.000 2.031 265 c HN 0.572 nan 8.230 nan 0.000 0.480 266 L N 0.331 121.576 121.223 0.036 0.000 2.131 266 L HA -0.105 4.235 4.340 -0.001 0.000 0.210 266 L C 2.925 179.895 176.870 0.166 0.000 1.092 266 L CA 1.460 56.367 54.840 0.113 0.000 0.759 266 L CB -0.668 41.447 42.059 0.092 0.000 0.903 266 L HN 0.369 nan 8.230 nan 0.000 0.435 267 R N -0.420 120.144 120.500 0.108 0.000 2.235 267 R HA -0.076 4.264 4.340 -0.001 0.000 0.213 267 R C 1.639 177.889 176.300 -0.083 0.000 1.059 267 R CA 0.493 56.589 56.100 -0.006 0.000 0.997 267 R CB 0.069 30.350 30.300 -0.032 0.000 0.884 267 R HN 0.310 nan 8.270 nan 0.000 0.462 268 E N 0.448 120.579 120.200 -0.115 0.000 2.447 268 E HA 0.033 4.383 4.350 -0.001 0.000 0.195 268 E C 0.047 176.636 176.600 -0.019 0.000 1.028 268 E CA 0.404 56.753 56.400 -0.084 0.000 0.876 268 E CB 0.311 29.948 29.700 -0.106 0.000 0.885 268 E HN 0.036 nan 8.360 nan 0.000 0.500 269 K N 1.705 122.107 120.400 0.004 0.000 2.295 269 K HA 0.145 4.465 4.320 -0.001 0.000 0.270 269 K C 0.493 177.125 176.600 0.054 0.000 1.011 269 K CA 0.019 56.328 56.287 0.036 0.000 0.953 269 K CB 0.809 33.339 32.500 0.050 0.000 0.956 269 K HN -0.077 nan 8.250 nan 0.000 0.477 270 K N 2.403 122.841 120.400 0.064 0.000 2.219 270 K HA 0.045 4.365 4.320 -0.001 0.000 0.258 270 K C -1.532 175.153 176.600 0.143 0.000 1.008 270 K CA -1.525 54.809 56.287 0.079 0.000 0.928 270 K CB 0.152 32.688 32.500 0.061 0.000 0.983 270 K HN 0.178 nan 8.250 nan 0.000 0.484 271 P HA -0.228 nan 4.420 nan 0.000 0.214 271 P C 1.110 178.606 177.300 0.327 0.000 1.163 271 P CA 1.258 64.567 63.100 0.350 0.000 0.889 271 P CB 0.242 32.013 31.700 0.118 0.000 0.790 272 Q N 0.187 120.098 119.800 0.184 0.000 2.234 272 Q HA -0.203 4.137 4.340 -0.001 0.000 0.206 272 Q C 1.876 177.973 176.000 0.162 0.000 0.980 272 Q CA 1.697 57.596 55.803 0.161 0.000 0.869 272 Q CB -0.818 27.977 28.738 0.096 0.000 0.912 272 Q HN 0.361 nan 8.270 nan 0.000 0.436 273 E N -0.928 119.356 120.200 0.140 0.000 2.072 273 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 273 E C 1.667 178.346 176.600 0.133 0.000 0.985 273 E CA 0.973 57.444 56.400 0.118 0.000 0.801 273 E CB -0.039 29.715 29.700 0.090 0.000 0.750 273 E HN 0.227 nan 8.360 nan 0.000 0.452 274 L N 0.700 122.007 121.223 0.140 0.000 2.056 274 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 274 L C 2.214 179.201 176.870 0.195 0.000 1.078 274 L CA 1.449 56.349 54.840 0.100 0.000 0.749 274 L CB -0.441 41.571 42.059 -0.078 0.000 0.901 274 L HN 0.159 nan 8.230 nan 0.000 0.433 275 I N -0.570 120.167 120.570 0.278 0.000 2.286 275 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 275 I C 1.792 178.088 176.117 0.298 0.000 1.115 275 I CA 0.986 62.491 61.300 0.342 0.000 1.392 275 I CB -0.369 37.847 38.000 0.361 0.000 1.065 275 I HN 0.244 nan 8.210 nan 0.000 0.418 276 D N 0.200 120.738 120.400 0.229 0.000 2.263 276 D HA -0.104 4.535 4.640 -0.001 0.000 0.208 276 D C 1.813 178.227 176.300 0.190 0.000 0.971 276 D CA 1.311 55.429 54.000 0.197 0.000 0.867 276 D CB 0.159 41.046 40.800 0.145 0.000 0.929 276 D HN 0.389 nan 8.370 nan 0.000 0.492 277 V N -2.800 117.232 119.914 0.195 0.000 3.432 277 V HA 0.201 4.321 4.120 -0.001 0.000 0.298 277 V C 1.752 177.981 176.094 0.226 0.000 1.464 277 V CA 0.020 62.428 62.300 0.180 0.000 1.046 277 V CB 0.323 32.225 31.823 0.133 0.000 0.887 277 V HN -0.057 nan 8.190 nan 0.000 0.441 278 E N 0.699 121.083 120.200 0.307 0.000 2.086 278 E HA -0.303 4.047 4.350 -0.001 0.000 0.200 278 E C 1.769 178.574 176.600 0.343 0.000 1.012 278 E CA 2.474 59.131 56.400 0.428 0.000 0.812 278 E CB -0.200 29.825 29.700 0.542 0.000 0.743 278 E HN 0.802 nan 8.360 nan 0.000 0.453 279 W N 0.730 122.038 121.300 0.014 0.000 2.699 279 W HA -0.028 4.631 4.660 -0.000 0.000 0.249 279 W C 1.123 177.607 176.519 -0.060 0.000 1.280 279 W CA 0.303 57.603 57.345 -0.074 0.000 1.345 279 W CB 0.069 29.444 29.460 -0.143 0.000 1.128 279 W HN 0.204 nan 8.180 nan 0.000 0.642 280 N N 0.406 119.164 118.700 0.097 0.000 2.550 280 N HA -0.115 4.625 4.740 -0.001 0.000 0.186 280 N C 1.581 177.047 175.510 -0.073 0.000 1.110 280 N CA 1.168 54.230 53.050 0.020 0.000 0.912 280 N CB -0.394 38.128 38.487 0.059 0.000 0.968 280 N HN 0.169 nan 8.380 nan 0.000 0.448 281 V N -2.344 117.483 119.914 -0.146 0.000 3.647 281 V HA 0.248 4.368 4.120 -0.001 0.000 0.279 281 V C 0.775 176.673 176.094 -0.326 0.000 1.314 281 V CA -0.132 62.044 62.300 -0.208 0.000 1.125 281 V CB -0.629 31.075 31.823 -0.198 0.000 0.907 281 V HN -0.022 nan 8.190 nan 0.000 0.434 282 L N 2.511 123.496 121.223 -0.396 0.000 2.525 282 L HA 0.172 4.512 4.340 -0.001 0.000 0.278 282 L C -0.269 176.356 176.870 -0.409 0.000 1.218 282 L CA -0.697 53.879 54.840 -0.439 0.000 0.878 282 L CB 0.583 42.366 42.059 -0.459 0.000 1.127 282 L HN 0.174 nan 8.230 nan 0.000 0.492 283 P HA -0.039 nan 4.420 nan 0.000 0.227 283 P C -0.196 176.579 177.300 -0.875 0.000 1.161 283 P CA 1.088 63.699 63.100 -0.816 0.000 0.788 283 P CB 0.309 31.290 31.700 -1.198 0.000 0.822 284 F N -0.578 119.312 119.950 -0.099 0.000 2.631 284 F HA 0.406 4.933 4.527 -0.001 0.000 0.328 284 F C 0.397 176.156 175.800 -0.069 0.000 1.067 284 F CA -1.745 56.215 58.000 -0.067 0.000 0.969 284 F CB -0.025 38.947 39.000 -0.046 0.000 1.332 284 F HN -0.367 nan 8.300 nan 0.000 0.490 285 D N 1.278 121.786 120.400 0.179 0.000 2.344 285 D HA 0.358 4.998 4.640 -0.001 0.000 0.253 285 D C -0.575 175.778 176.300 0.089 0.000 1.255 285 D CA 0.379 54.434 54.000 0.091 0.000 0.894 285 D CB 0.263 41.107 40.800 0.073 0.000 1.067 285 D HN 0.623 nan 8.370 nan 0.000 0.492 286 S N 2.574 118.311 115.700 0.062 0.000 2.685 286 S HA 0.744 5.214 4.470 -0.001 0.000 0.282 286 S C -0.810 173.808 174.600 0.030 0.000 1.159 286 S CA -0.914 57.315 58.200 0.047 0.000 0.833 286 S CB 1.377 64.614 63.200 0.061 0.000 1.151 286 S HN 0.258 nan 8.310 nan 0.000 0.485 287 I N 0.391 120.970 120.570 0.015 0.000 2.730 287 I HA 0.697 4.867 4.170 -0.001 0.000 0.298 287 I C -0.908 175.204 176.117 -0.007 0.000 1.089 287 I CA -0.618 60.695 61.300 0.021 0.000 1.041 287 I CB 1.591 39.605 38.000 0.024 0.000 1.235 287 I HN 0.835 nan 8.210 nan 0.000 0.423 288 F N 5.200 124.981 119.950 -0.282 0.000 3.071 288 F HA -0.219 4.308 4.527 -0.001 0.000 0.295 288 F C -0.494 174.818 175.800 -0.814 0.000 0.919 288 F CA 0.456 58.040 58.000 -0.693 0.000 1.050 288 F CB -0.658 37.816 39.000 -0.875 0.000 1.040 288 F HN 0.426 nan 8.300 nan 0.000 0.692 289 R N 0.386 120.483 120.500 -0.672 0.000 2.651 289 R HA 0.665 5.004 4.340 -0.001 0.000 0.278 289 R C -1.076 174.733 176.300 -0.818 0.000 1.010 289 R CA -0.593 55.157 56.100 -0.584 0.000 0.896 289 R CB 1.446 31.605 30.300 -0.234 0.000 1.211 289 R HN -0.005 nan 8.270 nan 0.000 0.456 290 F N -0.747 119.183 119.950 -0.034 0.000 2.563 290 F HA 0.363 4.890 4.527 -0.001 0.000 0.316 290 F C 1.547 177.107 175.800 -0.401 0.000 1.076 290 F CA -0.776 57.099 58.000 -0.210 0.000 0.921 290 F CB 1.846 41.022 39.000 0.293 0.000 1.209 290 F HN 0.364 nan 8.300 nan 0.000 0.462 291 S N 0.679 116.037 115.700 -0.570 0.000 2.354 291 S HA -0.099 4.371 4.470 -0.001 0.000 0.219 291 S C 0.139 174.293 174.600 -0.744 0.000 1.035 291 S CA 1.324 59.085 58.200 -0.733 0.000 1.037 291 S CB -0.271 62.414 63.200 -0.858 0.000 0.956 291 S HN 0.338 nan 8.310 nan 0.000 0.428 292 F N 1.772 121.803 119.950 0.134 0.000 2.332 292 F HA 0.554 5.080 4.527 -0.001 0.000 0.368 292 F C 0.112 175.989 175.800 0.129 0.000 1.110 292 F CA -0.981 57.130 58.000 0.184 0.000 1.087 292 F CB 1.035 40.209 39.000 0.290 0.000 1.235 292 F HN -0.051 nan 8.300 nan 0.000 0.470 293 V N 1.094 121.031 119.914 0.039 0.000 3.167 293 V HA 0.749 4.869 4.120 -0.001 0.000 0.310 293 V C -2.905 172.926 176.094 -0.439 0.000 1.207 293 V CA -3.312 58.699 62.300 -0.483 0.000 1.059 293 V CB 1.975 33.655 31.823 -0.238 0.000 1.079 293 V HN 0.257 nan 8.190 nan 0.000 0.446 294 P HA 0.209 nan 4.420 nan 0.000 0.266 294 P C -0.620 176.605 177.300 -0.125 0.000 1.186 294 P CA 0.389 63.312 63.100 -0.296 0.000 0.767 294 P CB 0.353 31.787 31.700 -0.443 0.000 0.820 295 V N 1.150 121.088 119.914 0.040 0.000 2.628 295 V HA 0.419 4.539 4.120 -0.001 0.000 0.306 295 V C 0.026 176.184 176.094 0.107 0.000 1.045 295 V CA -0.868 61.444 62.300 0.020 0.000 0.905 295 V CB 1.850 33.698 31.823 0.042 0.000 0.997 295 V HN 0.229 nan 8.190 nan 0.000 0.436 296 I N 4.892 125.456 120.570 -0.011 0.000 2.293 296 I HA 0.186 4.355 4.170 -0.001 0.000 0.299 296 I C 0.807 176.939 176.117 0.025 0.000 1.153 296 I CA 0.241 61.563 61.300 0.037 0.000 1.302 296 I CB -0.037 37.902 38.000 -0.102 0.000 1.460 296 I HN 0.964 nan 8.210 nan 0.000 0.552 297 D N 3.188 123.658 120.400 0.118 0.000 2.360 297 D HA 0.077 4.716 4.640 -0.001 0.000 0.210 297 D C 1.386 177.685 176.300 -0.002 0.000 1.047 297 D CA 0.671 54.638 54.000 -0.055 0.000 0.854 297 D CB 0.510 41.361 40.800 0.085 0.000 0.936 297 D HN 0.633 nan 8.370 nan 0.000 0.514 298 G N -0.628 108.230 108.800 0.097 0.000 2.176 298 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.253 298 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.253 298 G C 0.776 175.744 174.900 0.112 0.000 0.979 298 G CA 1.190 46.349 45.100 0.098 0.000 0.641 298 G HN 0.805 nan 8.290 nan 0.000 0.530 299 E N -0.883 119.395 120.200 0.129 0.000 2.941 299 E HA 0.609 4.958 4.350 -0.001 0.000 0.180 299 E C 1.803 178.422 176.600 0.031 0.000 1.130 299 E CA 0.792 57.246 56.400 0.091 0.000 1.243 299 E CB -0.450 29.324 29.700 0.124 0.000 1.582 299 E HN 0.704 nan 8.360 nan 0.000 0.499 300 F N 0.586 120.453 119.950 -0.140 0.000 2.134 300 F HA 0.194 4.721 4.527 -0.000 0.000 0.299 300 F C 0.074 175.547 175.800 -0.544 0.000 1.097 300 F CA 0.967 58.742 58.000 -0.375 0.000 1.264 300 F CB 0.130 38.816 39.000 -0.522 0.000 1.001 300 F HN 0.122 nan 8.300 nan 0.000 0.479 301 F N 1.792 121.902 119.950 0.266 0.000 2.347 301 F HA 0.346 4.872 4.527 -0.001 0.000 0.366 301 F C -1.436 174.410 175.800 0.077 0.000 1.107 301 F CA -3.034 55.058 58.000 0.153 0.000 1.058 301 F CB 0.491 39.570 39.000 0.132 0.000 1.236 301 F HN -0.209 nan 8.300 nan 0.000 0.456 302 P HA -0.085 nan 4.420 nan 0.000 0.217 302 P C 0.403 177.765 177.300 0.103 0.000 1.150 302 P CA 1.424 64.585 63.100 0.102 0.000 0.832 302 P CB 0.294 32.026 31.700 0.054 0.000 0.787 303 T N -4.522 110.103 114.554 0.118 0.000 2.696 303 T HA 0.436 4.786 4.350 -0.001 0.000 0.291 303 T C -0.179 174.568 174.700 0.077 0.000 1.095 303 T CA -0.588 61.559 62.100 0.078 0.000 1.026 303 T CB 0.979 69.879 68.868 0.052 0.000 1.390 303 T HN 0.076 nan 8.240 nan 0.000 0.513 304 S N 0.099 115.819 115.700 0.033 0.000 2.563 304 S HA 0.135 4.604 4.470 -0.001 0.000 0.284 304 S C 1.500 176.105 174.600 0.008 0.000 1.331 304 S CA -0.672 57.526 58.200 -0.005 0.000 1.047 304 S CB -0.388 62.803 63.200 -0.015 0.000 0.859 304 S HN 0.660 nan 8.310 nan 0.000 0.514 305 L N 0.525 121.715 121.223 -0.055 0.000 2.046 305 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 305 L C 2.910 179.812 176.870 0.054 0.000 1.077 305 L CA 1.911 56.737 54.840 -0.024 0.000 0.747 305 L CB -0.779 41.198 42.059 -0.136 0.000 0.896 305 L HN 0.808 nan 8.230 nan 0.000 0.432 306 E N 0.741 120.966 120.200 0.041 0.000 2.077 306 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 306 E C 2.258 178.919 176.600 0.101 0.000 0.989 306 E CA 1.691 58.149 56.400 0.097 0.000 0.800 306 E CB -0.081 29.661 29.700 0.071 0.000 0.746 306 E HN 0.477 nan 8.360 nan 0.000 0.452 307 S N -0.554 115.187 115.700 0.069 0.000 2.402 307 S HA -0.135 4.335 4.470 -0.001 0.000 0.229 307 S C 2.108 176.753 174.600 0.076 0.000 1.021 307 S CA 1.129 59.368 58.200 0.064 0.000 0.974 307 S CB -0.328 62.897 63.200 0.041 0.000 0.800 307 S HN 0.244 nan 8.310 nan 0.000 0.484 308 M N 0.982 120.645 119.600 0.104 0.000 2.099 308 M HA 0.050 4.530 4.480 -0.001 0.000 0.262 308 M C 2.209 178.651 176.300 0.236 0.000 1.067 308 M CA 1.432 56.819 55.300 0.145 0.000 1.124 308 M CB -0.631 32.088 32.600 0.199 0.000 1.353 308 M HN 0.304 nan 8.290 nan 0.000 0.410 309 L N -0.048 121.327 121.223 0.254 0.000 2.046 309 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 309 L C 2.212 179.255 176.870 0.288 0.000 1.077 309 L CA 0.913 55.942 54.840 0.316 0.000 0.747 309 L CB -0.855 41.305 42.059 0.169 0.000 0.896 309 L HN 0.359 nan 8.230 nan 0.000 0.432 310 N N -0.159 118.648 118.700 0.178 0.000 2.166 310 N HA -0.142 4.597 4.740 -0.001 0.000 0.186 310 N C 1.890 177.470 175.510 0.117 0.000 1.019 310 N CA 1.761 54.906 53.050 0.158 0.000 0.856 310 N CB -0.155 38.402 38.487 0.116 0.000 0.993 310 N HN 0.351 nan 8.380 nan 0.000 0.426 311 S N -1.210 114.480 115.700 -0.016 0.000 2.605 311 S HA 0.282 4.752 4.470 -0.001 0.000 0.217 311 S C 1.260 175.474 174.600 -0.644 0.000 0.958 311 S CA 0.374 58.471 58.200 -0.170 0.000 0.919 311 S CB 0.191 63.321 63.200 -0.117 0.000 0.780 311 S HN 0.393 nan 8.310 nan 0.000 0.507 312 G N 1.994 110.171 108.800 -1.039 0.000 2.153 312 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.252 312 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.252 312 G C 0.042 174.066 174.900 -1.460 0.000 0.994 312 G CA 0.107 43.896 45.100 -2.186 0.000 0.698 312 G HN 0.604 nan 8.290 nan 0.000 0.521 313 N N 0.674 118.966 118.700 -0.679 0.000 2.819 313 N HA 0.494 5.233 4.740 -0.001 0.000 0.284 313 N C -0.137 175.331 175.510 -0.071 0.000 1.196 313 N CA 0.054 52.906 53.050 -0.329 0.000 1.114 313 N CB -0.941 37.482 38.487 -0.106 0.000 1.437 313 N HN 0.727 nan 8.380 nan 0.000 0.518 314 F N -1.207 118.693 119.950 -0.082 0.000 2.842 314 F HA 0.387 4.914 4.527 -0.000 0.000 0.319 314 F C -0.409 175.421 175.800 0.051 0.000 1.159 314 F CA -1.431 56.594 58.000 0.042 0.000 0.902 314 F CB 0.593 39.683 39.000 0.150 0.000 1.311 314 F HN -0.163 nan 8.300 nan 0.000 0.453 315 K N 1.573 122.247 120.400 0.457 0.000 2.447 315 K HA 0.223 4.543 4.320 -0.001 0.000 0.281 315 K C -1.047 175.821 176.600 0.447 0.000 1.031 315 K CA -0.195 56.274 56.287 0.304 0.000 1.019 315 K CB 0.516 33.150 32.500 0.222 0.000 0.918 315 K HN 0.629 nan 8.250 nan 0.000 0.476 316 K N 2.603 123.135 120.400 0.219 0.000 2.253 316 K HA 0.225 4.544 4.320 -0.001 0.000 0.277 316 K C -0.264 176.468 176.600 0.219 0.000 1.053 316 K CA -0.173 56.239 56.287 0.207 0.000 0.892 316 K CB 1.815 34.346 32.500 0.050 0.000 1.102 316 K HN 0.704 nan 8.250 nan 0.000 0.469 317 T N 1.295 116.061 114.554 0.353 0.000 2.647 317 T HA 0.283 4.633 4.350 -0.001 0.000 0.302 317 T C -1.486 173.421 174.700 0.345 0.000 1.389 317 T CA -0.684 61.568 62.100 0.253 0.000 1.037 317 T CB 0.478 69.463 68.868 0.196 0.000 1.755 317 T HN 0.378 nan 8.240 nan 0.000 0.467 318 Q N 1.006 120.971 119.800 0.276 0.000 2.222 318 Q HA 0.764 5.104 4.340 -0.001 0.000 0.252 318 Q C -0.338 175.949 176.000 0.478 0.000 0.926 318 Q CA -0.466 55.557 55.803 0.367 0.000 0.899 318 Q CB 1.361 30.288 28.738 0.316 0.000 1.250 318 Q HN 0.680 nan 8.270 nan 0.000 0.441 319 I N -1.417 119.379 120.570 0.377 0.000 2.865 319 I HA 0.722 4.891 4.170 -0.001 0.000 0.302 319 I C -1.490 174.527 176.117 -0.167 0.000 1.140 319 I CA -1.405 59.985 61.300 0.150 0.000 1.021 319 I CB 1.915 39.822 38.000 -0.156 0.000 1.233 319 I HN 0.548 nan 8.210 nan 0.000 0.427 320 L N 6.602 127.498 121.223 -0.545 0.000 2.410 320 L HA 0.828 5.167 4.340 -0.001 0.000 0.270 320 L C -1.386 175.256 176.870 -0.379 0.000 0.983 320 L CA -0.530 53.869 54.840 -0.735 0.000 0.822 320 L CB 1.756 42.852 42.059 -1.605 0.000 1.285 320 L HN 0.888 nan 8.230 nan 0.000 0.409 321 L N 2.398 123.515 121.223 -0.177 0.000 2.838 321 L HA 1.088 5.427 4.340 -0.001 0.000 0.266 321 L C -0.904 175.710 176.870 -0.427 0.000 1.040 321 L CA -0.351 54.407 54.840 -0.137 0.000 0.906 321 L CB 1.757 43.742 42.059 -0.122 0.000 1.501 321 L HN 0.715 nan 8.230 nan 0.000 0.407 322 G N -0.174 108.216 108.800 -0.683 0.000 2.342 322 G HA2 0.581 4.541 3.960 -0.001 0.000 0.297 322 G HA3 0.581 4.541 3.960 -0.001 0.000 0.297 322 G C -1.538 173.066 174.900 -0.494 0.000 1.313 322 G CA 0.005 44.398 45.100 -1.178 0.000 0.830 322 G HN 1.549 nan 8.290 nan 0.000 0.506 323 V N -2.497 117.308 119.914 -0.182 0.000 3.141 323 V HA 0.877 4.997 4.120 -0.001 0.000 0.312 323 V C -0.879 175.389 176.094 0.289 0.000 1.157 323 V CA -1.443 60.953 62.300 0.161 0.000 1.041 323 V CB 1.925 33.847 31.823 0.166 0.000 1.071 323 V HN 0.691 nan 8.190 nan 0.000 0.441 324 N N 0.600 119.466 118.700 0.277 0.000 2.472 324 N HA 0.440 5.179 4.740 -0.001 0.000 0.289 324 N C 0.528 176.059 175.510 0.035 0.000 1.156 324 N CA -0.621 52.556 53.050 0.212 0.000 0.940 324 N CB 1.759 40.458 38.487 0.353 0.000 1.200 324 N HN 0.900 nan 8.380 nan 0.000 0.511 325 K N -0.026 120.272 120.400 -0.169 0.000 2.063 325 K HA -0.068 4.252 4.320 -0.001 0.000 0.208 325 K C -0.619 176.084 176.600 0.173 0.000 1.048 325 K CA 1.284 57.542 56.287 -0.049 0.000 0.928 325 K CB 0.204 32.670 32.500 -0.057 0.000 0.713 325 K HN 0.520 nan 8.250 nan 0.000 0.442 326 D N 0.960 121.462 120.400 0.171 0.000 2.607 326 D HA 0.036 4.675 4.640 -0.001 0.000 0.318 326 D C 0.124 176.553 176.300 0.216 0.000 1.212 326 D CA -0.076 54.038 54.000 0.191 0.000 0.861 326 D CB 1.280 42.181 40.800 0.167 0.000 1.064 326 D HN 0.148 nan 8.370 nan 0.000 0.500 327 E N 0.517 120.850 120.200 0.222 0.000 2.110 327 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 327 E C 1.964 178.676 176.600 0.187 0.000 0.988 327 E CA 0.685 57.235 56.400 0.250 0.000 0.804 327 E CB 0.126 29.940 29.700 0.190 0.000 0.745 327 E HN 0.413 nan 8.360 nan 0.000 0.458 328 G N 1.224 110.098 108.800 0.123 0.000 2.712 328 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.212 328 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.212 328 G C 1.700 176.669 174.900 0.114 0.000 1.142 328 G CA 0.783 45.940 45.100 0.095 0.000 0.789 328 G HN 0.348 nan 8.290 nan 0.000 0.535 329 S N 1.332 117.115 115.700 0.140 0.000 2.370 329 S HA -0.221 4.249 4.470 -0.001 0.000 0.226 329 S C 2.147 176.773 174.600 0.044 0.000 1.033 329 S CA 1.549 59.834 58.200 0.141 0.000 1.011 329 S CB -0.688 62.554 63.200 0.071 0.000 0.852 329 S HN 0.695 nan 8.310 nan 0.000 0.457 330 F N 0.999 120.884 119.950 -0.108 0.000 2.325 330 F HA 0.241 4.768 4.527 -0.001 0.000 0.299 330 F C 1.588 177.257 175.800 -0.218 0.000 1.090 330 F CA 0.105 57.947 58.000 -0.263 0.000 1.392 330 F CB -0.621 38.077 39.000 -0.505 0.000 1.053 330 F HN 0.094 nan 8.300 nan 0.000 0.521 331 F N 1.115 120.526 119.950 -0.898 0.000 2.234 331 F HA -0.020 4.507 4.527 -0.001 0.000 0.299 331 F C 2.035 177.677 175.800 -0.264 0.000 1.087 331 F CA 1.054 58.653 58.000 -0.667 0.000 1.340 331 F CB -0.856 37.687 39.000 -0.761 0.000 1.031 331 F HN 0.031 nan 8.300 nan 0.000 0.500 332 L N -0.894 120.251 121.223 -0.130 0.000 2.072 332 L HA -0.160 4.180 4.340 -0.001 0.000 0.205 332 L C 2.426 179.185 176.870 -0.185 0.000 1.079 332 L CA 0.478 55.068 54.840 -0.418 0.000 0.752 332 L CB -0.699 40.690 42.059 -1.116 0.000 0.906 332 L HN 0.137 nan 8.230 nan 0.000 0.436 333 L N -0.744 120.579 121.223 0.166 0.000 1.990 333 L HA -0.280 4.060 4.340 -0.001 0.000 0.213 333 L C 2.386 179.435 176.870 0.297 0.000 1.072 333 L CA 2.106 57.203 54.840 0.428 0.000 0.755 333 L CB -0.722 41.602 42.059 0.442 0.000 0.889 333 L HN 0.122 nan 8.230 nan 0.000 0.432 334 Y N -0.645 119.747 120.300 0.153 0.000 2.314 334 Y HA 0.139 4.689 4.550 -0.001 0.000 0.293 334 Y C 2.290 178.237 175.900 0.079 0.000 1.129 334 Y CA 1.156 59.333 58.100 0.128 0.000 1.201 334 Y CB -0.378 38.136 38.460 0.089 0.000 0.999 334 Y HN 0.309 nan 8.280 nan 0.000 0.541 335 G N -1.713 107.198 108.800 0.186 0.000 3.651 335 G HA2 0.491 4.451 3.960 -0.001 0.000 0.267 335 G HA3 0.491 4.451 3.960 -0.001 0.000 0.267 335 G C -0.280 174.677 174.900 0.095 0.000 1.009 335 G CA 0.377 45.555 45.100 0.130 0.000 0.866 335 G HN 0.273 nan 8.290 nan 0.000 0.488 336 A N 1.563 124.437 122.820 0.091 0.000 2.342 336 A HA 0.827 5.147 4.320 -0.001 0.000 0.323 336 A C -2.615 175.133 177.584 0.275 0.000 1.125 336 A CA -1.601 50.517 52.037 0.135 0.000 0.785 336 A CB 1.653 20.680 19.000 0.045 0.000 1.221 336 A HN 0.047 nan 8.150 nan 0.000 0.463 337 P HA 0.255 nan 4.420 nan 0.000 0.268 337 P C 0.847 178.238 177.300 0.151 0.000 1.204 337 P CA 1.520 64.715 63.100 0.158 0.000 0.768 337 P CB 1.069 32.824 31.700 0.092 0.000 0.842 338 G N 1.657 110.490 108.800 0.055 0.000 2.213 338 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.226 338 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.226 338 G C -0.267 174.445 174.900 -0.313 0.000 0.992 338 G CA -0.512 44.503 45.100 -0.143 0.000 0.632 338 G HN 0.440 nan 8.290 nan 0.000 0.511 339 F N 2.209 122.111 119.950 -0.080 0.000 2.421 339 F HA 0.673 5.200 4.527 -0.001 0.000 0.337 339 F C 0.771 176.602 175.800 0.051 0.000 1.105 339 F CA 0.123 58.043 58.000 -0.133 0.000 1.049 339 F CB 2.251 41.215 39.000 -0.060 0.000 1.139 339 F HN 0.306 nan 8.300 nan 0.000 0.479 340 S N 1.387 117.257 115.700 0.282 0.000 2.570 340 S HA 0.345 4.814 4.470 -0.001 0.000 0.270 340 S C 0.247 175.118 174.600 0.451 0.000 1.149 340 S CA -1.190 57.204 58.200 0.323 0.000 0.837 340 S CB 2.090 65.394 63.200 0.174 0.000 1.124 340 S HN 0.688 nan 8.310 nan 0.000 0.465 341 K N 0.130 120.721 120.400 0.318 0.000 2.097 341 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 341 K C 0.005 176.682 176.600 0.128 0.000 1.049 341 K CA 1.758 58.138 56.287 0.154 0.000 0.933 341 K CB -0.181 32.108 32.500 -0.352 0.000 0.717 341 K HN 0.621 nan 8.250 nan 0.000 0.442 342 D N 0.452 120.908 120.400 0.094 0.000 2.358 342 D HA 0.027 4.666 4.640 -0.001 0.000 0.224 342 D C -0.126 176.236 176.300 0.104 0.000 1.123 342 D CA 0.139 54.175 54.000 0.061 0.000 0.833 342 D CB 0.726 41.527 40.800 0.002 0.000 0.946 342 D HN 0.204 nan 8.370 nan 0.000 0.505 343 S N -1.345 114.455 115.700 0.166 0.000 2.667 343 S HA 0.343 4.813 4.470 -0.001 0.000 0.292 343 S C 0.762 175.450 174.600 0.146 0.000 1.126 343 S CA -0.737 57.523 58.200 0.101 0.000 0.881 343 S CB 2.393 65.604 63.200 0.019 0.000 1.132 343 S HN -0.154 nan 8.310 nan 0.000 0.492 344 E N 0.652 120.887 120.200 0.057 0.000 2.409 344 E HA 0.035 4.385 4.350 -0.001 0.000 0.198 344 E C -0.297 176.113 176.600 -0.317 0.000 1.024 344 E CA 0.615 57.038 56.400 0.040 0.000 0.861 344 E CB -0.223 29.490 29.700 0.023 0.000 0.788 344 E HN 0.707 nan 8.360 nan 0.000 0.521 345 S N 0.741 116.192 115.700 -0.414 0.000 3.749 345 S HA -0.164 4.306 4.470 -0.001 0.000 0.348 345 S C -0.289 173.930 174.600 -0.635 0.000 1.045 345 S CA 0.555 58.335 58.200 -0.700 0.000 1.051 345 S CB -1.162 61.209 63.200 -1.382 0.000 0.898 345 S HN 0.281 nan 8.310 nan 0.000 0.472 346 K N 0.798 120.977 120.400 -0.369 0.000 2.412 346 K HA 0.234 4.553 4.320 -0.001 0.000 0.281 346 K C 0.302 176.706 176.600 -0.326 0.000 1.027 346 K CA 0.078 56.200 56.287 -0.275 0.000 0.989 346 K CB 0.351 32.753 32.500 -0.164 0.000 0.935 346 K HN 0.213 nan 8.250 nan 0.000 0.475 347 I N 2.472 122.860 120.570 -0.303 0.000 2.377 347 I HA 0.060 4.230 4.170 -0.001 0.000 0.293 347 I C 0.916 176.953 176.117 -0.133 0.000 0.987 347 I CA -0.353 60.778 61.300 -0.280 0.000 1.185 347 I CB 1.436 39.259 38.000 -0.295 0.000 1.341 347 I HN 0.687 nan 8.210 nan 0.000 0.455 348 S N 5.887 121.530 115.700 -0.096 0.000 2.614 348 S HA 0.239 4.709 4.470 -0.001 0.000 0.265 348 S C 1.138 175.744 174.600 0.009 0.000 1.303 348 S CA -0.326 57.846 58.200 -0.047 0.000 1.000 348 S CB 1.475 64.655 63.200 -0.033 0.000 0.935 348 S HN 0.617 nan 8.310 nan 0.000 0.551 349 R N 0.862 121.365 120.500 0.005 0.000 2.096 349 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 349 R C 1.898 178.276 176.300 0.130 0.000 1.127 349 R CA 2.033 58.158 56.100 0.042 0.000 0.968 349 R CB -0.903 29.404 30.300 0.011 0.000 0.861 349 R HN 0.879 nan 8.270 nan 0.000 0.440 350 E N -0.081 120.169 120.200 0.084 0.000 2.072 350 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 350 E C 1.501 178.157 176.600 0.094 0.000 0.985 350 E CA 1.415 57.866 56.400 0.086 0.000 0.801 350 E CB -0.105 29.626 29.700 0.052 0.000 0.750 350 E HN 0.317 nan 8.360 nan 0.000 0.452 351 D N -0.251 120.195 120.400 0.077 0.000 2.178 351 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 351 D C 1.510 177.881 176.300 0.119 0.000 0.974 351 D CA 0.513 54.555 54.000 0.071 0.000 0.841 351 D CB -0.174 40.631 40.800 0.009 0.000 0.953 351 D HN 0.107 nan 8.370 nan 0.000 0.478 352 F N 0.993 120.949 119.950 0.010 0.000 2.075 352 F HA -0.138 4.389 4.527 -0.001 0.000 0.297 352 F C 2.311 178.138 175.800 0.045 0.000 1.113 352 F CA 1.320 59.338 58.000 0.030 0.000 1.218 352 F CB -0.222 38.775 39.000 -0.005 0.000 0.984 352 F HN -0.167 nan 8.300 nan 0.000 0.472 353 M N -0.725 118.983 119.600 0.180 0.000 2.159 353 M HA -0.220 4.260 4.480 -0.001 0.000 0.263 353 M C 2.352 178.643 176.300 -0.016 0.000 1.063 353 M CA 1.720 57.066 55.300 0.075 0.000 1.110 353 M CB -0.572 32.120 32.600 0.153 0.000 1.374 353 M HN 0.076 nan 8.290 nan 0.000 0.411 354 S N 0.292 116.002 115.700 0.016 0.000 2.382 354 S HA -0.087 4.382 4.470 -0.001 0.000 0.228 354 S C 1.941 176.526 174.600 -0.025 0.000 1.027 354 S CA 1.382 59.587 58.200 0.009 0.000 0.991 354 S CB -0.629 62.594 63.200 0.039 0.000 0.823 354 S HN 0.692 nan 8.310 nan 0.000 0.469 355 G N 1.027 109.796 108.800 -0.051 0.000 2.418 355 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.217 355 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.217 355 G C 1.598 176.387 174.900 -0.186 0.000 1.158 355 G CA 1.084 46.133 45.100 -0.086 0.000 0.771 355 G HN 0.524 nan 8.290 nan 0.000 0.545 356 V N 0.320 120.055 119.914 -0.298 0.000 2.515 356 V HA 0.013 4.132 4.120 -0.001 0.000 0.250 356 V C 2.523 178.533 176.094 -0.139 0.000 1.058 356 V CA 2.676 64.827 62.300 -0.249 0.000 1.064 356 V CB -0.335 31.322 31.823 -0.278 0.000 0.675 356 V HN 0.289 nan 8.190 nan 0.000 0.461 357 K N 0.109 120.447 120.400 -0.104 0.000 2.057 357 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 357 K C 1.878 178.432 176.600 -0.077 0.000 1.049 357 K CA 2.004 58.241 56.287 -0.082 0.000 0.931 357 K CB -0.715 31.756 32.500 -0.048 0.000 0.714 357 K HN 0.449 nan 8.250 nan 0.000 0.440 358 L N 0.729 121.919 121.223 -0.055 0.000 2.083 358 L HA -0.051 4.289 4.340 -0.001 0.000 0.209 358 L C 2.069 178.914 176.870 -0.041 0.000 1.083 358 L CA 1.656 56.478 54.840 -0.030 0.000 0.752 358 L CB -0.968 41.083 42.059 -0.013 0.000 0.899 358 L HN 0.158 nan 8.230 nan 0.000 0.433 359 S N -1.542 114.113 115.700 -0.075 0.000 2.436 359 S HA 0.032 4.502 4.470 -0.001 0.000 0.228 359 S C 0.975 175.522 174.600 -0.089 0.000 1.014 359 S CA 0.374 58.527 58.200 -0.078 0.000 0.950 359 S CB 0.230 63.358 63.200 -0.120 0.000 0.784 359 S HN 0.174 nan 8.310 nan 0.000 0.504 360 V N 3.230 123.057 119.914 -0.145 0.000 2.361 360 V HA 0.205 4.325 4.120 -0.001 0.000 0.252 360 V C -1.673 174.247 176.094 -0.291 0.000 0.986 360 V CA -1.412 60.724 62.300 -0.273 0.000 1.033 360 V CB 0.809 32.447 31.823 -0.308 0.000 1.282 360 V HN 0.177 nan 8.190 nan 0.000 0.514 361 P HA -0.208 nan 4.420 nan 0.000 0.217 361 P C 1.081 178.038 177.300 -0.571 0.000 1.148 361 P CA 1.603 64.565 63.100 -0.230 0.000 0.828 361 P CB -0.024 31.669 31.700 -0.011 0.000 0.783 362 H N -0.935 117.832 119.070 -0.506 0.000 2.566 362 H HA 0.525 5.081 4.556 -0.001 0.000 0.280 362 H C 0.161 175.293 175.328 -0.328 0.000 1.042 362 H CA -0.278 55.450 56.048 -0.533 0.000 1.168 362 H CB -0.593 29.014 29.762 -0.258 0.000 1.340 362 H HN 0.008 nan 8.280 nan 0.000 0.597 363 A N 1.879 124.387 122.820 -0.520 0.000 2.324 363 A HA 0.373 4.693 4.320 -0.001 0.000 0.330 363 A C 0.129 177.574 177.584 -0.232 0.000 1.165 363 A CA -0.800 51.012 52.037 -0.374 0.000 0.813 363 A CB 1.017 19.788 19.000 -0.381 0.000 1.197 363 A HN 0.597 nan 8.150 nan 0.000 0.484 364 N N 1.080 119.680 118.700 -0.167 0.000 2.327 364 N HA 0.121 4.861 4.740 -0.001 0.000 0.257 364 N C 0.001 175.456 175.510 -0.090 0.000 1.281 364 N CA -0.229 52.754 53.050 -0.113 0.000 0.942 364 N CB 0.137 38.572 38.487 -0.087 0.000 1.199 364 N HN 0.464 nan 8.380 nan 0.000 0.532 365 D N -0.913 119.452 120.400 -0.059 0.000 2.123 365 D HA -0.128 4.512 4.640 -0.001 0.000 0.196 365 D C 1.673 177.961 176.300 -0.021 0.000 0.992 365 D CA 0.826 54.806 54.000 -0.034 0.000 0.833 365 D CB -0.257 40.531 40.800 -0.021 0.000 0.954 365 D HN 0.445 nan 8.370 nan 0.000 0.455 366 L N 0.514 121.720 121.223 -0.028 0.000 2.017 366 L HA -0.021 4.318 4.340 -0.001 0.000 0.208 366 L C 2.213 179.079 176.870 -0.006 0.000 1.073 366 L CA 2.127 56.960 54.840 -0.012 0.000 0.745 366 L CB -0.989 41.053 42.059 -0.029 0.000 0.894 366 L HN 0.098 nan 8.230 nan 0.000 0.432 367 G N -0.637 108.130 108.800 -0.054 0.000 2.418 367 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 367 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 367 G C 1.592 176.483 174.900 -0.016 0.000 1.158 367 G CA 1.084 46.142 45.100 -0.071 0.000 0.771 367 G HN 0.439 nan 8.290 nan 0.000 0.545 368 L N 0.420 121.625 121.223 -0.029 0.000 2.083 368 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 368 L C 2.480 179.394 176.870 0.073 0.000 1.083 368 L CA 1.136 55.978 54.840 0.003 0.000 0.752 368 L CB -0.408 41.640 42.059 -0.018 0.000 0.899 368 L HN 0.086 nan 8.230 nan 0.000 0.433 369 D N 0.334 120.780 120.400 0.076 0.000 2.117 369 D HA -0.139 4.501 4.640 -0.001 0.000 0.197 369 D C 2.256 178.651 176.300 0.159 0.000 0.987 369 D CA 1.502 55.572 54.000 0.117 0.000 0.829 369 D CB -0.007 40.841 40.800 0.081 0.000 0.961 369 D HN 0.302 nan 8.370 nan 0.000 0.460 370 A N 0.580 123.504 122.820 0.174 0.000 1.902 370 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 370 A C 2.533 180.267 177.584 0.250 0.000 1.181 370 A CA 1.170 53.373 52.037 0.277 0.000 0.623 370 A CB -0.713 18.539 19.000 0.421 0.000 0.818 370 A HN 0.141 nan 8.150 nan 0.000 0.443 371 V N -0.304 119.760 119.914 0.249 0.000 2.295 371 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 371 V C 2.755 178.967 176.094 0.197 0.000 1.049 371 V CA 2.484 64.877 62.300 0.155 0.000 1.024 371 V CB -1.275 30.649 31.823 0.169 0.000 0.648 371 V HN 0.603 nan 8.190 nan 0.000 0.447 372 T N 0.622 115.319 114.554 0.238 0.000 2.684 372 T HA -0.214 4.136 4.350 -0.001 0.000 0.267 372 T C 1.905 176.818 174.700 0.354 0.000 1.036 372 T CA 2.014 64.337 62.100 0.371 0.000 1.148 372 T CB -0.376 68.720 68.868 0.379 0.000 0.863 372 T HN 0.347 nan 8.240 nan 0.000 0.436 373 L N 1.133 122.552 121.223 0.326 0.000 2.046 373 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 373 L C 2.474 179.428 176.870 0.140 0.000 1.077 373 L CA 1.820 56.888 54.840 0.380 0.000 0.747 373 L CB -0.656 41.546 42.059 0.238 0.000 0.896 373 L HN 0.115 nan 8.230 nan 0.000 0.432 374 Q N -1.432 118.320 119.800 -0.080 0.000 2.224 374 Q HA -0.177 4.163 4.340 -0.001 0.000 0.203 374 Q C 0.996 176.732 176.000 -0.441 0.000 0.970 374 Q CA 1.780 57.340 55.803 -0.404 0.000 0.865 374 Q CB -0.149 28.001 28.738 -0.979 0.000 0.922 374 Q HN 0.720 nan 8.270 nan 0.000 0.445 375 Y N -1.354 118.894 120.300 -0.087 0.000 2.531 375 Y HA 0.330 4.880 4.550 -0.001 0.000 0.249 375 Y C -0.221 175.603 175.900 -0.127 0.000 1.168 375 Y CA -0.252 57.839 58.100 -0.016 0.000 1.226 375 Y CB 1.091 39.646 38.460 0.158 0.000 1.177 375 Y HN -0.179 nan 8.280 nan 0.000 0.527 376 T N 0.751 115.174 114.554 -0.218 0.000 2.794 376 T HA 0.093 4.443 4.350 -0.001 0.000 0.280 376 T C -0.825 173.438 174.700 -0.730 0.000 0.987 376 T CA -0.643 61.044 62.100 -0.688 0.000 0.993 376 T CB 1.062 69.133 68.868 -1.329 0.000 0.939 376 T HN -0.011 nan 8.240 nan 0.000 0.449 377 D N 2.003 122.049 120.400 -0.590 0.000 2.393 377 D HA 0.107 4.747 4.640 -0.001 0.000 0.232 377 D C 0.003 176.037 176.300 -0.443 0.000 1.192 377 D CA -0.710 53.065 54.000 -0.376 0.000 0.882 377 D CB 0.420 41.082 40.800 -0.229 0.000 1.038 377 D HN 0.604 nan 8.370 nan 0.000 0.499 378 W N 3.334 124.593 121.300 -0.069 0.000 2.961 378 W HA -0.002 4.657 4.660 -0.001 0.000 0.240 378 W C 1.988 178.476 176.519 -0.051 0.000 1.305 378 W CA -0.030 57.278 57.345 -0.062 0.000 1.465 378 W CB -0.155 29.274 29.460 -0.052 0.000 1.135 378 W HN 0.486 nan 8.180 nan 0.000 0.688 379 M N -1.393 118.251 119.600 0.073 0.000 2.431 379 M HA 0.304 4.783 4.480 -0.001 0.000 0.237 379 M C -0.237 176.063 176.300 0.001 0.000 1.130 379 M CA 0.920 56.251 55.300 0.051 0.000 1.002 379 M CB 0.365 32.986 32.600 0.035 0.000 1.524 379 M HN -0.205 nan 8.290 nan 0.000 0.482 380 D N 1.728 122.099 120.400 -0.050 0.000 3.453 380 D HA 0.016 4.655 4.640 -0.001 0.000 0.312 380 D C 0.240 176.455 176.300 -0.142 0.000 1.349 380 D CA 0.040 53.995 54.000 -0.075 0.000 0.739 380 D CB 0.237 40.994 40.800 -0.072 0.000 1.312 380 D HN 0.390 nan 8.370 nan 0.000 0.628 381 D N -0.827 119.484 120.400 -0.148 0.000 2.350 381 D HA -0.114 4.526 4.640 -0.001 0.000 0.216 381 D C 0.474 176.650 176.300 -0.207 0.000 0.968 381 D CA 0.248 54.095 54.000 -0.256 0.000 0.894 381 D CB 0.168 40.841 40.800 -0.211 0.000 0.909 381 D HN 0.141 nan 8.370 nan 0.000 0.520 382 N N 0.539 119.165 118.700 -0.123 0.000 2.251 382 N HA -0.012 4.727 4.740 -0.001 0.000 0.217 382 N C -0.319 175.130 175.510 -0.101 0.000 1.124 382 N CA -0.168 52.822 53.050 -0.100 0.000 0.843 382 N CB 0.027 38.480 38.487 -0.056 0.000 1.024 382 N HN 0.366 nan 8.380 nan 0.000 0.501 383 N N 0.149 118.777 118.700 -0.121 0.000 2.405 383 N HA 0.079 4.819 4.740 -0.001 0.000 0.260 383 N C 1.486 176.929 175.510 -0.111 0.000 1.152 383 N CA -0.268 52.722 53.050 -0.100 0.000 0.948 383 N CB 0.715 39.145 38.487 -0.096 0.000 1.111 383 N HN 0.050 nan 8.380 nan 0.000 0.485 384 G N 4.208 112.951 108.800 -0.095 0.000 2.442 384 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.219 384 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.219 384 G C 1.311 176.150 174.900 -0.103 0.000 1.141 384 G CA 0.534 45.569 45.100 -0.108 0.000 0.763 384 G HN 0.630 nan 8.290 nan 0.000 0.554 385 I N 0.451 120.980 120.570 -0.069 0.000 2.353 385 I HA -0.045 4.125 4.170 -0.001 0.000 0.248 385 I C 2.556 178.667 176.117 -0.010 0.000 1.119 385 I CA 1.109 62.389 61.300 -0.033 0.000 1.417 385 I CB -0.724 37.272 38.000 -0.006 0.000 1.078 385 I HN 0.207 nan 8.210 nan 0.000 0.421 386 K N 0.676 121.052 120.400 -0.040 0.000 2.103 386 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 386 K C 1.881 178.453 176.600 -0.047 0.000 1.052 386 K CA 0.956 57.218 56.287 -0.042 0.000 0.945 386 K CB -0.025 32.417 32.500 -0.097 0.000 0.722 386 K HN 0.253 nan 8.250 nan 0.000 0.443 387 N N 0.920 119.560 118.700 -0.101 0.000 2.120 387 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 387 N C 1.692 177.318 175.510 0.193 0.000 1.024 387 N CA 1.022 54.034 53.050 -0.063 0.000 0.852 387 N CB -0.176 38.244 38.487 -0.111 0.000 1.003 387 N HN 0.179 nan 8.380 nan 0.000 0.424 388 R N 0.949 121.490 120.500 0.068 0.000 2.070 388 R HA -0.108 4.232 4.340 -0.001 0.000 0.233 388 R C 0.869 177.322 176.300 0.255 0.000 1.137 388 R CA 1.603 57.763 56.100 0.100 0.000 0.945 388 R CB -0.073 30.169 30.300 -0.097 0.000 0.845 388 R HN 0.096 nan 8.270 nan 0.000 0.430 389 D N -0.550 119.967 120.400 0.196 0.000 2.144 389 D HA -0.084 4.555 4.640 -0.001 0.000 0.199 389 D C 1.731 178.175 176.300 0.241 0.000 0.984 389 D CA 1.456 55.589 54.000 0.223 0.000 0.834 389 D CB -0.547 40.356 40.800 0.172 0.000 0.955 389 D HN 0.511 nan 8.370 nan 0.000 0.465 390 G N 0.771 109.725 108.800 0.257 0.000 2.418 390 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 390 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 390 G C 1.553 176.607 174.900 0.257 0.000 1.158 390 G CA 0.359 45.664 45.100 0.342 0.000 0.771 390 G HN 0.197 nan 8.290 nan 0.000 0.545 391 L N 0.927 122.327 121.223 0.294 0.000 2.056 391 L HA 0.013 4.352 4.340 -0.001 0.000 0.207 391 L C 2.286 179.182 176.870 0.042 0.000 1.078 391 L CA 1.915 56.804 54.840 0.081 0.000 0.749 391 L CB -0.613 41.565 42.059 0.197 0.000 0.901 391 L HN 0.176 nan 8.230 nan 0.000 0.433 392 D N -0.456 120.040 120.400 0.160 0.000 2.092 392 D HA -0.222 4.418 4.640 -0.001 0.000 0.193 392 D C 1.651 178.001 176.300 0.084 0.000 0.994 392 D CA 1.503 55.594 54.000 0.152 0.000 0.828 392 D CB 0.048 41.008 40.800 0.267 0.000 0.963 392 D HN 0.336 nan 8.370 nan 0.000 0.450 393 D N -0.065 120.402 120.400 0.113 0.000 2.144 393 D HA -0.105 4.535 4.640 -0.001 0.000 0.199 393 D C 2.337 178.593 176.300 -0.073 0.000 0.984 393 D CA 0.345 54.415 54.000 0.117 0.000 0.834 393 D CB -0.223 40.756 40.800 0.298 0.000 0.955 393 D HN 0.373 nan 8.370 nan 0.000 0.465 394 I N 0.457 120.820 120.570 -0.346 0.000 2.163 394 I HA -0.251 3.919 4.170 -0.001 0.000 0.243 394 I C 2.414 178.336 176.117 -0.325 0.000 1.085 394 I CA 0.699 61.711 61.300 -0.480 0.000 1.347 394 I CB -0.106 37.618 38.000 -0.460 0.000 1.044 394 I HN -0.105 nan 8.210 nan 0.000 0.408 395 V N 0.773 120.552 119.914 -0.225 0.000 2.295 395 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 395 V C 2.551 178.477 176.094 -0.280 0.000 1.049 395 V CA 2.209 64.376 62.300 -0.222 0.000 1.024 395 V CB -1.448 30.301 31.823 -0.124 0.000 0.648 395 V HN 0.571 nan 8.190 nan 0.000 0.447 396 G N -0.339 108.368 108.800 -0.156 0.000 2.421 396 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.216 396 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.216 396 G C 1.242 176.038 174.900 -0.173 0.000 1.171 396 G CA 1.003 46.034 45.100 -0.115 0.000 0.775 396 G HN 0.494 nan 8.290 nan 0.000 0.543 397 D N -0.110 120.195 120.400 -0.158 0.000 2.097 397 D HA -0.113 4.527 4.640 -0.001 0.000 0.195 397 D C 2.092 178.062 176.300 -0.549 0.000 0.989 397 D CA 1.432 55.317 54.000 -0.191 0.000 0.827 397 D CB -0.476 40.360 40.800 0.059 0.000 0.966 397 D HN 0.451 nan 8.370 nan 0.000 0.456 398 H N 0.647 119.069 119.070 -1.080 0.000 2.389 398 H HA 0.060 4.615 4.556 -0.001 0.000 0.299 398 H C 1.459 176.386 175.328 -0.668 0.000 1.081 398 H CA 1.524 56.841 56.048 -1.218 0.000 1.345 398 H CB 0.093 28.922 29.762 -1.557 0.000 1.393 398 H HN -0.007 nan 8.280 nan 0.000 0.520 399 N N -0.725 117.492 118.700 -0.805 0.000 2.405 399 N HA 0.006 4.746 4.740 -0.001 0.000 0.175 399 N C 0.966 176.169 175.510 -0.512 0.000 1.051 399 N CA 0.974 53.474 53.050 -0.916 0.000 0.899 399 N CB 1.213 38.646 38.487 -1.757 0.000 1.000 399 N HN 0.270 nan 8.380 nan 0.000 0.451 400 V N 0.344 120.046 119.914 -0.354 0.000 3.442 400 V HA 0.155 4.274 4.120 -0.001 0.000 0.205 400 V C 2.030 178.086 176.094 -0.062 0.000 1.320 400 V CA -0.080 62.156 62.300 -0.107 0.000 1.306 400 V CB 0.255 32.078 31.823 0.000 0.000 1.267 400 V HN -0.058 nan 8.190 nan 0.000 0.538 401 I N 0.617 121.160 120.570 -0.046 0.000 2.142 401 I HA -0.286 3.884 4.170 -0.001 0.000 0.240 401 I C 2.532 178.653 176.117 0.007 0.000 1.078 401 I CA 1.947 63.253 61.300 0.011 0.000 1.343 401 I CB -0.498 37.542 38.000 0.067 0.000 1.046 401 I HN 0.391 nan 8.210 nan 0.000 0.405 402 c N 0.672 119.266 118.600 -0.009 0.000 2.440 402 c HA -0.019 4.551 4.570 -0.001 0.000 0.278 402 c C 0.246 174.369 174.090 0.054 0.000 1.295 402 c CA 0.598 56.969 56.329 0.069 0.000 1.738 402 c CB -1.768 40.833 42.510 0.152 0.000 1.987 402 c HN 0.359 nan 8.230 nan 0.000 0.492 403 P HA -0.070 nan 4.420 nan 0.000 0.217 403 P C 1.764 179.084 177.300 0.034 0.000 1.151 403 P CA 0.983 64.058 63.100 -0.041 0.000 0.828 403 P CB -0.165 31.414 31.700 -0.202 0.000 0.788 404 L N -1.627 119.595 121.223 -0.001 0.000 2.046 404 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 404 L C 2.095 179.007 176.870 0.071 0.000 1.077 404 L CA 1.676 56.531 54.840 0.026 0.000 0.747 404 L CB -0.554 41.496 42.059 -0.015 0.000 0.896 404 L HN -0.106 nan 8.230 nan 0.000 0.432 405 M N -1.049 118.583 119.600 0.053 0.000 2.159 405 M HA -0.238 4.241 4.480 -0.001 0.000 0.263 405 M C 2.264 178.629 176.300 0.107 0.000 1.063 405 M CA 1.672 57.004 55.300 0.052 0.000 1.110 405 M CB -1.613 31.032 32.600 0.076 0.000 1.374 405 M HN 0.436 nan 8.290 nan 0.000 0.411 406 H N -0.155 118.957 119.070 0.069 0.000 2.357 406 H HA -0.160 4.395 4.556 -0.001 0.000 0.301 406 H C 1.825 177.209 175.328 0.093 0.000 1.082 406 H CA 1.901 57.998 56.048 0.082 0.000 1.342 406 H CB -0.350 29.455 29.762 0.073 0.000 1.389 406 H HN 0.234 nan 8.280 nan 0.000 0.511 407 F N 0.061 119.973 119.950 -0.063 0.000 2.102 407 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 407 F C 2.483 178.203 175.800 -0.133 0.000 1.105 407 F CA 1.515 59.435 58.000 -0.133 0.000 1.239 407 F CB -0.897 38.028 39.000 -0.125 0.000 0.991 407 F HN 0.143 nan 8.300 nan 0.000 0.474 408 V N 0.990 120.818 119.914 -0.144 0.000 2.427 408 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 408 V C 2.188 178.142 176.094 -0.234 0.000 1.051 408 V CA 2.453 64.551 62.300 -0.337 0.000 1.048 408 V CB -0.615 30.914 31.823 -0.490 0.000 0.666 408 V HN 0.429 nan 8.190 nan 0.000 0.456 409 N N -0.078 118.568 118.700 -0.090 0.000 2.188 409 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 409 N C 1.806 177.297 175.510 -0.031 0.000 1.018 409 N CA 1.108 54.198 53.050 0.066 0.000 0.858 409 N CB -0.205 38.345 38.487 0.105 0.000 0.989 409 N HN 0.407 nan 8.380 nan 0.000 0.426 410 K N 0.474 120.773 120.400 -0.169 0.000 2.097 410 K HA -0.108 4.212 4.320 -0.001 0.000 0.205 410 K C 1.895 178.484 176.600 -0.019 0.000 1.050 410 K CA 0.636 56.860 56.287 -0.105 0.000 0.938 410 K CB -0.620 31.758 32.500 -0.203 0.000 0.718 410 K HN 0.302 nan 8.250 nan 0.000 0.442 411 Y N 2.078 122.140 120.300 -0.397 0.000 2.184 411 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 411 Y C 2.226 178.116 175.900 -0.017 0.000 1.129 411 Y CA 1.778 59.631 58.100 -0.412 0.000 1.144 411 Y CB -0.326 37.572 38.460 -0.937 0.000 0.995 411 Y HN -0.001 nan 8.280 nan 0.000 0.513 412 T N -0.530 114.066 114.554 0.069 0.000 2.849 412 T HA -0.241 4.108 4.350 -0.001 0.000 0.270 412 T C 2.017 176.715 174.700 -0.003 0.000 1.066 412 T CA 1.626 63.795 62.100 0.116 0.000 1.130 412 T CB -0.332 68.714 68.868 0.295 0.000 0.864 412 T HN 0.203 nan 8.240 nan 0.000 0.481 413 K N 0.349 120.717 120.400 -0.055 0.000 2.147 413 K HA -0.008 4.312 4.320 -0.001 0.000 0.205 413 K C 1.513 177.827 176.600 -0.477 0.000 1.049 413 K CA 1.001 57.130 56.287 -0.264 0.000 0.936 413 K CB -0.651 31.636 32.500 -0.354 0.000 0.722 413 K HN 0.630 nan 8.250 nan 0.000 0.446 414 F N -0.473 119.415 119.950 -0.103 0.000 2.727 414 F HA 0.416 4.942 4.527 -0.001 0.000 0.302 414 F C 1.641 177.315 175.800 -0.210 0.000 1.107 414 F CA -0.101 57.797 58.000 -0.169 0.000 1.277 414 F CB -0.023 38.808 39.000 -0.282 0.000 1.079 414 F HN 0.273 nan 8.300 nan 0.000 0.594 415 G N -0.126 108.579 108.800 -0.157 0.000 2.611 415 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.273 415 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.273 415 G C 0.313 175.250 174.900 0.062 0.000 1.305 415 G CA -0.346 44.678 45.100 -0.127 0.000 1.010 415 G HN 0.271 nan 8.290 nan 0.000 0.509 416 N N -0.375 118.421 118.700 0.161 0.000 2.338 416 N HA 0.310 5.049 4.740 -0.001 0.000 0.251 416 N C 0.208 175.802 175.510 0.141 0.000 1.199 416 N CA 0.461 53.583 53.050 0.120 0.000 0.879 416 N CB 0.284 38.835 38.487 0.106 0.000 1.159 416 N HN 0.921 nan 8.380 nan 0.000 0.514 417 G N 0.596 109.494 108.800 0.162 0.000 2.542 417 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.391 417 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.391 417 G C -1.264 173.697 174.900 0.101 0.000 1.551 417 G CA -0.799 44.362 45.100 0.102 0.000 0.946 417 G HN 0.042 nan 8.290 nan 0.000 0.662 418 T N 1.545 116.033 114.554 -0.110 0.000 2.861 418 T HA 0.698 5.047 4.350 -0.001 0.000 0.287 418 T C -1.270 173.151 174.700 -0.465 0.000 1.003 418 T CA -0.390 61.637 62.100 -0.121 0.000 0.977 418 T CB 1.416 70.295 68.868 0.019 0.000 0.996 418 T HN 0.459 nan 8.240 nan 0.000 0.448 419 Y N 1.967 122.164 120.300 -0.171 0.000 2.338 419 Y HA 0.655 5.205 4.550 -0.001 0.000 0.333 419 Y C -0.531 175.381 175.900 0.021 0.000 0.968 419 Y CA -1.154 56.776 58.100 -0.283 0.000 1.123 419 Y CB 1.506 39.295 38.460 -1.118 0.000 1.165 419 Y HN 0.442 nan 8.280 nan 0.000 0.452 420 L N 5.924 127.479 121.223 0.553 0.000 2.329 420 L HA 0.669 5.009 4.340 -0.001 0.000 0.279 420 L C -1.272 176.027 176.870 0.715 0.000 1.014 420 L CA -1.005 54.090 54.840 0.425 0.000 0.814 420 L CB 0.773 42.941 42.059 0.183 0.000 1.257 420 L HN 0.531 nan 8.230 nan 0.000 0.424 421 Y N 3.079 123.685 120.300 0.510 0.000 2.605 421 Y HA 0.742 5.292 4.550 -0.001 0.000 0.343 421 Y C -1.797 174.367 175.900 0.441 0.000 1.036 421 Y CA -2.125 56.220 58.100 0.407 0.000 1.065 421 Y CB 1.241 39.873 38.460 0.287 0.000 1.288 421 Y HN 0.532 nan 8.280 nan 0.000 0.481 422 F N 3.576 123.870 119.950 0.574 0.000 2.577 422 F HA 0.478 5.005 4.527 -0.001 0.000 0.344 422 F C -1.949 174.176 175.800 0.542 0.000 1.145 422 F CA -1.927 56.343 58.000 0.450 0.000 0.996 422 F CB 0.791 40.025 39.000 0.389 0.000 1.248 422 F HN 0.549 nan 8.300 nan 0.000 0.447 423 F N 8.071 128.108 119.950 0.144 0.000 2.413 423 F HA 0.310 4.837 4.527 -0.001 0.000 0.359 423 F C 0.193 175.840 175.800 -0.255 0.000 1.122 423 F CA -0.305 57.704 58.000 0.016 0.000 1.160 423 F CB 0.500 39.582 39.000 0.135 0.000 1.146 423 F HN 0.533 nan 8.300 nan 0.000 0.514 424 N N 3.284 121.618 118.700 -0.611 0.000 2.517 424 N HA 0.080 4.820 4.740 -0.001 0.000 0.285 424 N C -1.162 174.087 175.510 -0.436 0.000 1.528 424 N CA -0.495 52.277 53.050 -0.464 0.000 0.892 424 N CB -0.676 37.669 38.487 -0.236 0.000 1.356 424 N HN 0.601 nan 8.380 nan 0.000 0.495 425 H N 0.673 119.174 119.070 -0.950 0.000 2.517 425 H HA 0.502 5.057 4.556 -0.001 0.000 0.317 425 H C -0.349 174.798 175.328 -0.302 0.000 1.080 425 H CA -0.633 55.052 56.048 -0.604 0.000 1.301 425 H CB 0.969 30.290 29.762 -0.736 0.000 1.425 425 H HN 0.151 nan 8.280 nan 0.000 0.471 426 R N 4.176 124.265 120.500 -0.684 0.000 2.202 426 R HA 0.513 4.853 4.340 -0.001 0.000 0.334 426 R C -0.812 175.186 176.300 -0.502 0.000 1.036 426 R CA -0.348 55.530 56.100 -0.370 0.000 0.878 426 R CB 0.237 30.411 30.300 -0.209 0.000 1.067 426 R HN 0.732 nan 8.270 nan 0.000 0.457 427 A N 3.548 126.364 122.820 -0.006 0.000 2.520 427 A HA 0.105 4.425 4.320 -0.001 0.000 0.245 427 A C 1.245 178.905 177.584 0.126 0.000 1.072 427 A CA 0.403 52.614 52.037 0.290 0.000 0.761 427 A CB 0.103 19.441 19.000 0.564 0.000 1.004 427 A HN 1.078 nan 8.150 nan 0.000 0.499 428 S N 1.895 117.705 115.700 0.183 0.000 2.419 428 S HA -0.201 4.268 4.470 -0.001 0.000 0.235 428 S C 0.952 175.546 174.600 -0.010 0.000 1.019 428 S CA 1.363 59.609 58.200 0.077 0.000 0.982 428 S CB -0.467 62.801 63.200 0.114 0.000 0.789 428 S HN 0.948 nan 8.310 nan 0.000 0.490 429 N N 0.826 119.480 118.700 -0.077 0.000 2.279 429 N HA 0.211 4.950 4.740 -0.001 0.000 0.226 429 N C -0.088 175.346 175.510 -0.127 0.000 1.126 429 N CA -0.349 52.602 53.050 -0.165 0.000 0.846 429 N CB -0.515 37.756 38.487 -0.360 0.000 1.050 429 N HN 0.379 nan 8.380 nan 0.000 0.502 430 L N 1.573 122.769 121.223 -0.045 0.000 2.499 430 L HA -0.013 4.327 4.340 -0.001 0.000 0.273 430 L C 1.524 178.344 176.870 -0.082 0.000 1.195 430 L CA -0.015 54.807 54.840 -0.030 0.000 0.882 430 L CB 1.085 43.146 42.059 0.003 0.000 1.133 430 L HN 0.155 nan 8.230 nan 0.000 0.483 431 V N 0.518 120.330 119.914 -0.170 0.000 3.406 431 V HA 0.007 4.126 4.120 -0.001 0.000 0.263 431 V C 0.604 176.621 176.094 -0.129 0.000 1.172 431 V CA -0.351 61.812 62.300 -0.229 0.000 1.140 431 V CB -0.722 30.796 31.823 -0.507 0.000 0.784 431 V HN 0.608 nan 8.190 nan 0.000 0.467 432 W N 2.028 123.311 121.300 -0.027 0.000 2.184 432 W HA 0.505 5.165 4.660 -0.000 0.000 0.338 432 W C -1.694 174.728 176.519 -0.161 0.000 1.257 432 W CA -2.070 55.228 57.345 -0.079 0.000 1.243 432 W CB -0.019 29.304 29.460 -0.228 0.000 1.122 432 W HN 0.022 nan 8.180 nan 0.000 0.585 433 P HA -0.027 nan 4.420 nan 0.000 0.272 433 P C 0.218 177.459 177.300 -0.098 0.000 1.230 433 P CA 0.187 63.266 63.100 -0.035 0.000 0.788 433 P CB 1.174 32.868 31.700 -0.009 0.000 0.949 434 E N 1.517 121.728 120.200 0.018 0.000 2.097 434 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 434 E C 1.773 178.435 176.600 0.103 0.000 1.000 434 E CA 1.938 58.371 56.400 0.056 0.000 0.804 434 E CB -0.714 29.050 29.700 0.106 0.000 0.740 434 E HN 0.650 nan 8.360 nan 0.000 0.454 435 W N -0.384 120.973 121.300 0.094 0.000 2.387 435 W HA -0.195 4.464 4.660 -0.001 0.000 0.272 435 W C 1.254 177.850 176.519 0.129 0.000 1.224 435 W CA 0.671 58.082 57.345 0.111 0.000 1.210 435 W CB -0.723 28.809 29.460 0.121 0.000 1.125 435 W HN 0.085 nan 8.180 nan 0.000 0.572 436 M N 1.295 120.666 119.600 -0.381 0.000 2.562 436 M HA 0.145 4.625 4.480 -0.001 0.000 0.257 436 M C 1.771 178.016 176.300 -0.093 0.000 1.099 436 M CA 1.420 56.459 55.300 -0.435 0.000 1.099 436 M CB -0.568 31.557 32.600 -0.792 0.000 1.427 436 M HN 0.183 nan 8.290 nan 0.000 0.489 437 G N 0.563 109.353 108.800 -0.017 0.000 2.583 437 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.292 437 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.292 437 G C -0.172 174.742 174.900 0.022 0.000 1.203 437 G CA -0.190 44.932 45.100 0.035 0.000 0.987 437 G HN 0.205 nan 8.290 nan 0.000 0.554 438 V N 2.000 121.956 119.914 0.071 0.000 2.284 438 V HA 0.410 4.530 4.120 -0.001 0.000 0.260 438 V C 1.017 177.236 176.094 0.209 0.000 1.084 438 V CA -0.224 62.157 62.300 0.135 0.000 0.894 438 V CB 0.344 32.224 31.823 0.095 0.000 1.119 438 V HN 0.534 nan 8.190 nan 0.000 0.484 439 I N 3.077 123.763 120.570 0.192 0.000 2.754 439 I HA 0.092 4.261 4.170 -0.001 0.000 0.285 439 I C 0.915 177.315 176.117 0.472 0.000 1.166 439 I CA -0.360 61.086 61.300 0.242 0.000 1.417 439 I CB 0.209 38.184 38.000 -0.042 0.000 1.382 439 I HN 0.580 nan 8.210 nan 0.000 0.588 440 H N 4.559 123.845 119.070 0.360 0.000 3.157 440 H HA 0.163 4.718 4.556 -0.001 0.000 0.299 440 H C 0.949 176.438 175.328 0.269 0.000 0.961 440 H CA 0.969 57.236 56.048 0.366 0.000 1.428 440 H CB 0.125 30.203 29.762 0.527 0.000 1.459 440 H HN 0.758 nan 8.280 nan 0.000 0.566 441 G N 3.671 112.452 108.800 -0.031 0.000 2.213 441 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.236 441 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.236 441 G C 0.637 175.550 174.900 0.021 0.000 0.991 441 G CA 0.335 45.374 45.100 -0.101 0.000 0.629 441 G HN 0.622 nan 8.290 nan 0.000 0.517 442 Y N 1.574 122.023 120.300 0.248 0.000 2.471 442 Y HA 0.219 4.769 4.550 -0.001 0.000 0.286 442 Y C 2.345 178.376 175.900 0.218 0.000 1.188 442 Y CA 1.072 59.355 58.100 0.304 0.000 1.286 442 Y CB 0.415 39.087 38.460 0.353 0.000 1.072 442 Y HN 0.503 nan 8.280 nan 0.000 0.517 443 E N 0.068 120.236 120.200 -0.053 0.000 2.447 443 E HA -0.047 4.303 4.350 -0.001 0.000 0.195 443 E C 1.592 178.109 176.600 -0.138 0.000 1.028 443 E CA 0.558 56.581 56.400 -0.629 0.000 0.876 443 E CB -0.407 28.644 29.700 -1.081 0.000 0.885 443 E HN 0.519 nan 8.360 nan 0.000 0.500 444 I N 2.605 123.198 120.570 0.039 0.000 2.179 444 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 444 I C 2.649 178.811 176.117 0.076 0.000 1.088 444 I CA 2.045 63.421 61.300 0.128 0.000 1.357 444 I CB -0.466 37.665 38.000 0.217 0.000 1.051 444 I HN 0.211 nan 8.210 nan 0.000 0.409 445 E N 0.965 121.150 120.200 -0.025 0.000 2.209 445 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 445 E C 2.014 178.433 176.600 -0.301 0.000 0.993 445 E CA 1.544 57.847 56.400 -0.163 0.000 0.819 445 E CB -0.516 29.079 29.700 -0.175 0.000 0.745 445 E HN 0.441 nan 8.360 nan 0.000 0.477 446 F N 1.003 120.854 119.950 -0.166 0.000 2.270 446 F HA -0.018 4.509 4.527 -0.001 0.000 0.295 446 F C 2.361 177.979 175.800 -0.303 0.000 1.087 446 F CA 0.537 58.398 58.000 -0.232 0.000 1.365 446 F CB -0.066 38.837 39.000 -0.162 0.000 1.056 446 F HN -0.132 nan 8.300 nan 0.000 0.506 447 V N -1.055 118.758 119.914 -0.167 0.000 2.427 447 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 447 V C 1.660 177.536 176.094 -0.363 0.000 1.051 447 V CA 1.618 63.672 62.300 -0.410 0.000 1.048 447 V CB -0.611 30.993 31.823 -0.364 0.000 0.666 447 V HN 0.212 nan 8.190 nan 0.000 0.456 448 F N 0.338 120.148 119.950 -0.233 0.000 2.765 448 F HA 0.398 4.925 4.527 -0.001 0.000 0.302 448 F C 1.800 177.503 175.800 -0.162 0.000 1.111 448 F CA 0.669 58.560 58.000 -0.182 0.000 1.359 448 F CB -0.117 38.757 39.000 -0.211 0.000 1.097 448 F HN 0.259 nan 8.300 nan 0.000 0.577 449 G N 0.343 109.052 108.800 -0.152 0.000 2.176 449 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.252 449 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.252 449 G C 1.088 175.669 174.900 -0.531 0.000 1.024 449 G CA 0.326 45.255 45.100 -0.285 0.000 0.755 449 G HN 0.242 nan 8.290 nan 0.000 0.507 450 L N -0.335 120.550 121.223 -0.563 0.000 2.127 450 L HA -0.057 4.283 4.340 -0.001 0.000 0.211 450 L C 0.250 176.703 176.870 -0.695 0.000 1.089 450 L CA 2.464 56.926 54.840 -0.629 0.000 0.757 450 L CB -1.910 39.910 42.059 -0.398 0.000 0.899 450 L HN 0.203 nan 8.230 nan 0.000 0.434 451 P HA -0.102 nan 4.420 nan 0.000 0.228 451 P C 2.006 179.056 177.300 -0.417 0.000 1.151 451 P CA 0.778 63.283 63.100 -0.992 0.000 0.770 451 P CB 0.103 31.121 31.700 -1.137 0.000 0.786 452 L N -1.236 119.743 121.223 -0.407 0.000 2.395 452 L HA 0.007 4.347 4.340 -0.001 0.000 0.218 452 L C 1.068 177.810 176.870 -0.214 0.000 1.130 452 L CA 0.539 55.224 54.840 -0.258 0.000 0.826 452 L CB -0.326 41.597 42.059 -0.226 0.000 0.941 452 L HN -0.062 nan 8.230 nan 0.000 0.451 453 V N -1.161 118.587 119.914 -0.276 0.000 2.334 453 V HA 0.328 4.448 4.120 -0.001 0.000 0.267 453 V C 1.216 177.267 176.094 -0.071 0.000 1.040 453 V CA 0.094 62.295 62.300 -0.165 0.000 0.866 453 V CB 1.036 32.741 31.823 -0.197 0.000 1.019 453 V HN 0.282 nan 8.190 nan 0.000 0.468 454 K N 4.505 124.878 120.400 -0.045 0.000 2.071 454 K HA -0.271 4.049 4.320 -0.001 0.000 0.217 454 K C 1.521 178.108 176.600 -0.023 0.000 1.054 454 K CA 2.746 59.020 56.287 -0.022 0.000 0.937 454 K CB -1.347 31.140 32.500 -0.022 0.000 0.719 454 K HN 0.920 nan 8.250 nan 0.000 0.454 455 E N 0.503 120.682 120.200 -0.034 0.000 2.267 455 E HA -0.057 4.292 4.350 -0.001 0.000 0.197 455 E C 1.761 178.327 176.600 -0.057 0.000 0.998 455 E CA 1.048 57.422 56.400 -0.043 0.000 0.830 455 E CB -0.278 29.395 29.700 -0.044 0.000 0.751 455 E HN 0.613 nan 8.360 nan 0.000 0.491 456 L N 0.296 121.496 121.223 -0.040 0.000 2.610 456 L HA 0.058 4.398 4.340 -0.001 0.000 0.232 456 L C -0.231 176.543 176.870 -0.160 0.000 1.149 456 L CA 0.134 54.935 54.840 -0.066 0.000 0.872 456 L CB -0.848 41.245 42.059 0.056 0.000 0.992 456 L HN 0.235 nan 8.230 nan 0.000 0.447 457 N N -1.677 116.969 118.700 -0.090 0.000 2.740 457 N HA -0.235 4.504 4.740 -0.001 0.000 0.248 457 N C -0.596 174.818 175.510 -0.159 0.000 1.062 457 N CA 0.135 53.114 53.050 -0.119 0.000 0.704 457 N CB -1.160 37.230 38.487 -0.161 0.000 0.968 457 N HN 0.292 nan 8.380 nan 0.000 0.547 458 Y N 0.368 120.633 120.300 -0.059 0.000 2.408 458 Y HA 0.365 4.915 4.550 -0.001 0.000 0.324 458 Y C 1.635 177.534 175.900 -0.002 0.000 1.302 458 Y CA -0.244 57.841 58.100 -0.024 0.000 1.384 458 Y CB 0.649 39.067 38.460 -0.069 0.000 1.367 458 Y HN 0.024 nan 8.280 nan 0.000 0.525 459 T N -2.070 112.613 114.554 0.216 0.000 2.874 459 T HA 0.477 4.826 4.350 -0.001 0.000 0.281 459 T C 1.133 175.891 174.700 0.097 0.000 0.994 459 T CA -0.295 61.880 62.100 0.125 0.000 1.015 459 T CB 1.332 70.273 68.868 0.122 0.000 1.028 459 T HN 0.759 nan 8.240 nan 0.000 0.523 460 A N 1.203 124.055 122.820 0.054 0.000 1.940 460 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 460 A C 2.291 179.888 177.584 0.021 0.000 1.176 460 A CA 1.547 53.600 52.037 0.027 0.000 0.631 460 A CB -0.777 18.232 19.000 0.015 0.000 0.814 460 A HN 0.947 nan 8.150 nan 0.000 0.446 461 E N 0.408 120.625 120.200 0.028 0.000 2.208 461 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 461 E C 1.509 178.108 176.600 -0.001 0.000 0.988 461 E CA 1.217 57.618 56.400 0.001 0.000 0.828 461 E CB -0.575 29.121 29.700 -0.006 0.000 0.763 461 E HN 0.790 nan 8.360 nan 0.000 0.478 462 E N 1.104 121.346 120.200 0.069 0.000 2.106 462 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 462 E C 2.097 178.756 176.600 0.098 0.000 0.984 462 E CA 1.124 57.633 56.400 0.182 0.000 0.806 462 E CB -0.017 29.917 29.700 0.391 0.000 0.750 462 E HN 0.449 nan 8.360 nan 0.000 0.458 463 E N 0.890 121.090 120.200 -0.000 0.000 2.072 463 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 463 E C 2.003 178.571 176.600 -0.054 0.000 0.985 463 E CA 1.084 57.437 56.400 -0.078 0.000 0.801 463 E CB -0.074 29.587 29.700 -0.065 0.000 0.750 463 E HN 0.197 nan 8.360 nan 0.000 0.452 464 A N 1.116 123.917 122.820 -0.032 0.000 1.902 464 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 464 A C 2.176 179.732 177.584 -0.048 0.000 1.181 464 A CA 1.355 53.364 52.037 -0.046 0.000 0.623 464 A CB -0.708 18.268 19.000 -0.041 0.000 0.818 464 A HN 0.419 nan 8.150 nan 0.000 0.443 465 L N -0.131 121.078 121.223 -0.022 0.000 2.017 465 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 465 L C 2.560 179.456 176.870 0.043 0.000 1.073 465 L CA 2.669 57.496 54.840 -0.023 0.000 0.745 465 L CB -0.917 41.087 42.059 -0.091 0.000 0.894 465 L HN 0.341 nan 8.230 nan 0.000 0.432 466 S N -0.661 115.124 115.700 0.141 0.000 2.359 466 S HA -0.226 4.244 4.470 -0.001 0.000 0.224 466 S C 2.195 176.750 174.600 -0.076 0.000 1.035 466 S CA 1.504 59.740 58.200 0.061 0.000 1.018 466 S CB -0.248 62.867 63.200 -0.142 0.000 0.876 466 S HN 0.559 nan 8.310 nan 0.000 0.448 467 R N 0.574 121.021 120.500 -0.088 0.000 2.096 467 R HA -0.004 4.336 4.340 -0.001 0.000 0.235 467 R C 2.645 178.873 176.300 -0.120 0.000 1.127 467 R CA 1.643 57.682 56.100 -0.102 0.000 0.968 467 R CB -0.256 29.983 30.300 -0.102 0.000 0.861 467 R HN 0.528 nan 8.270 nan 0.000 0.440 468 R N 0.270 120.673 120.500 -0.162 0.000 2.115 468 R HA -0.029 4.311 4.340 -0.001 0.000 0.230 468 R C 2.163 178.233 176.300 -0.384 0.000 1.111 468 R CA 1.109 57.016 56.100 -0.321 0.000 0.976 468 R CB -0.447 29.606 30.300 -0.412 0.000 0.870 468 R HN 0.227 nan 8.270 nan 0.000 0.445 469 I N 1.303 121.762 120.570 -0.185 0.000 2.202 469 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 469 I C 2.649 178.683 176.117 -0.140 0.000 1.091 469 I CA 1.401 62.624 61.300 -0.128 0.000 1.368 469 I CB -0.223 37.576 38.000 -0.335 0.000 1.058 469 I HN 0.122 nan 8.210 nan 0.000 0.410 470 M N -0.473 119.019 119.600 -0.180 0.000 2.106 470 M HA -0.292 4.188 4.480 -0.001 0.000 0.259 470 M C 2.423 178.755 176.300 0.053 0.000 1.068 470 M CA 1.910 57.137 55.300 -0.122 0.000 1.100 470 M CB -0.756 31.776 32.600 -0.113 0.000 1.351 470 M HN 0.301 nan 8.290 nan 0.000 0.404 471 H N -0.616 118.427 119.070 -0.044 0.000 2.428 471 H HA -0.110 4.445 4.556 -0.001 0.000 0.296 471 H C 1.518 176.953 175.328 0.177 0.000 1.062 471 H CA 1.700 57.753 56.048 0.009 0.000 1.350 471 H CB 0.056 29.776 29.762 -0.071 0.000 1.403 471 H HN 0.269 nan 8.280 nan 0.000 0.533 472 Y N -0.875 119.566 120.300 0.234 0.000 2.145 472 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 472 Y C 2.485 178.584 175.900 0.331 0.000 1.145 472 Y CA 1.058 59.342 58.100 0.306 0.000 1.148 472 Y CB -1.028 37.816 38.460 0.640 0.000 0.981 472 Y HN 0.356 nan 8.280 nan 0.000 0.507 473 W N -0.471 120.932 121.300 0.172 0.000 2.355 473 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 473 W C 2.568 179.079 176.519 -0.013 0.000 1.206 473 W CA 1.086 58.458 57.345 0.045 0.000 1.284 473 W CB -0.449 28.979 29.460 -0.053 0.000 1.145 473 W HN 0.047 nan 8.180 nan 0.000 0.502 474 A N -0.213 122.703 122.820 0.160 0.000 1.969 474 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 474 A C 1.792 179.352 177.584 -0.041 0.000 1.169 474 A CA 2.048 54.096 52.037 0.018 0.000 0.635 474 A CB -1.051 17.945 19.000 -0.007 0.000 0.810 474 A HN 0.201 nan 8.150 nan 0.000 0.445 475 T N -0.870 113.620 114.554 -0.107 0.000 2.857 475 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 475 T C 1.586 176.247 174.700 -0.065 0.000 1.048 475 T CA 1.397 63.405 62.100 -0.153 0.000 1.139 475 T CB -0.358 68.356 68.868 -0.257 0.000 0.874 475 T HN 0.530 nan 8.240 nan 0.000 0.455 476 F N 2.334 122.188 119.950 -0.161 0.000 2.186 476 F HA 0.074 4.601 4.527 -0.001 0.000 0.299 476 F C 2.376 178.093 175.800 -0.138 0.000 1.090 476 F CA 0.873 58.745 58.000 -0.213 0.000 1.307 476 F CB -0.516 38.294 39.000 -0.317 0.000 1.019 476 F HN 0.130 nan 8.300 nan 0.000 0.489 477 A N 0.397 123.166 122.820 -0.085 0.000 1.902 477 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 477 A C 2.309 179.768 177.584 -0.208 0.000 1.181 477 A CA 1.901 53.836 52.037 -0.170 0.000 0.623 477 A CB -0.825 18.145 19.000 -0.051 0.000 0.818 477 A HN 0.502 nan 8.150 nan 0.000 0.443 478 K N -0.835 119.476 120.400 -0.149 0.000 2.103 478 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 478 K C 1.737 178.249 176.600 -0.147 0.000 1.052 478 K CA 1.835 58.050 56.287 -0.119 0.000 0.945 478 K CB -0.062 32.393 32.500 -0.075 0.000 0.722 478 K HN 0.614 nan 8.250 nan 0.000 0.443 479 T N -5.141 109.296 114.554 -0.194 0.000 2.959 479 T HA 0.265 4.615 4.350 -0.001 0.000 0.254 479 T C 1.140 175.702 174.700 -0.230 0.000 1.003 479 T CA 0.408 62.407 62.100 -0.169 0.000 0.950 479 T CB 0.945 69.751 68.868 -0.104 0.000 1.090 479 T HN 0.296 nan 8.240 nan 0.000 0.503 480 G N 1.479 110.001 108.800 -0.465 0.000 2.157 480 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.239 480 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.239 480 G C -0.181 174.623 174.900 -0.159 0.000 0.982 480 G CA 0.018 44.801 45.100 -0.528 0.000 0.650 480 G HN 0.828 nan 8.290 nan 0.000 0.527 481 N N -0.172 118.445 118.700 -0.140 0.000 2.454 481 N HA 0.438 5.177 4.740 -0.001 0.000 0.291 481 N C -1.612 173.752 175.510 -0.243 0.000 1.079 481 N CA -1.483 51.459 53.050 -0.180 0.000 0.893 481 N CB 2.516 40.973 38.487 -0.049 0.000 1.512 481 N HN -0.054 nan 8.380 nan 0.000 0.497 482 P HA -0.044 nan 4.420 nan 0.000 0.226 482 P C -0.439 176.866 177.300 0.009 0.000 1.153 482 P CA 0.607 63.552 63.100 -0.258 0.000 0.777 482 P CB 0.349 31.667 31.700 -0.637 0.000 0.794 483 N N 1.560 120.232 118.700 -0.048 0.000 2.514 483 N HA 0.088 4.828 4.740 -0.001 0.000 0.277 483 N C 0.074 175.647 175.510 0.105 0.000 1.126 483 N CA -0.043 53.080 53.050 0.121 0.000 0.978 483 N CB 0.739 39.300 38.487 0.122 0.000 1.106 483 N HN -0.007 nan 8.380 nan 0.000 0.461 484 E N 3.683 123.980 120.200 0.163 0.000 2.217 484 E HA 0.146 4.496 4.350 -0.001 0.000 0.279 484 E C -1.699 174.967 176.600 0.110 0.000 1.068 484 E CA -1.323 55.162 56.400 0.141 0.000 0.882 484 E CB 0.203 30.025 29.700 0.203 0.000 1.039 484 E HN 0.364 nan 8.360 nan 0.000 0.418 491 K N 3.045 123.550 120.400 0.176 0.000 2.297 491 K HA 0.226 4.546 4.320 -0.001 0.000 0.286 491 K C -0.247 176.523 176.600 0.283 0.000 1.053 491 K CA -0.455 55.967 56.287 0.225 0.000 0.940 491 K CB 0.295 32.907 32.500 0.186 0.000 1.019 491 K HN 0.659 nan 8.250 nan 0.000 0.475 492 W N 7.303 128.662 121.300 0.098 0.000 2.481 492 W HA 0.159 4.819 4.660 -0.000 0.000 0.320 492 W C -2.292 174.351 176.519 0.207 0.000 1.209 492 W CA -2.430 54.972 57.345 0.094 0.000 1.400 492 W CB -0.016 29.416 29.460 -0.046 0.000 1.361 492 W HN 0.419 nan 8.180 nan 0.000 0.456 493 P HA 0.056 nan 4.420 nan 0.000 0.276 493 P C -0.600 176.896 177.300 0.326 0.000 1.244 493 P CA -0.591 62.727 63.100 0.363 0.000 0.801 493 P CB 1.649 33.479 31.700 0.217 0.000 1.006 494 L N 2.467 123.746 121.223 0.093 0.000 2.453 494 L HA 0.201 4.541 4.340 -0.001 0.000 0.272 494 L C 0.032 176.887 176.870 -0.025 0.000 1.182 494 L CA -0.266 54.440 54.840 -0.223 0.000 0.858 494 L CB -0.893 41.053 42.059 -0.188 0.000 1.120 494 L HN 0.238 nan 8.230 nan 0.000 0.474 495 F N 4.265 124.113 119.950 -0.169 0.000 2.427 495 F HA 0.489 5.016 4.527 -0.001 0.000 0.352 495 F C 0.345 176.115 175.800 -0.050 0.000 1.100 495 F CA -0.084 57.904 58.000 -0.019 0.000 1.191 495 F CB 0.659 39.670 39.000 0.019 0.000 1.128 495 F HN 0.656 nan 8.300 nan 0.000 0.533 496 T N 0.578 114.841 114.554 -0.485 0.000 2.916 496 T HA 0.296 4.646 4.350 -0.001 0.000 0.292 496 T C 0.836 175.263 174.700 -0.456 0.000 1.055 496 T CA -0.095 61.835 62.100 -0.284 0.000 1.009 496 T CB 1.356 70.119 68.868 -0.174 0.000 1.118 496 T HN 0.607 nan 8.240 nan 0.000 0.497 497 T N -1.485 112.951 114.554 -0.197 0.000 2.962 497 T HA -0.069 4.281 4.350 -0.001 0.000 0.270 497 T C 1.834 176.432 174.700 -0.170 0.000 1.088 497 T CA 1.065 63.076 62.100 -0.149 0.000 1.127 497 T CB -0.302 68.537 68.868 -0.048 0.000 0.883 497 T HN 0.526 nan 8.240 nan 0.000 0.493 498 K N 1.197 121.499 120.400 -0.162 0.000 2.005 498 K HA 0.026 4.346 4.320 -0.001 0.000 0.206 498 K C 2.281 178.794 176.600 -0.144 0.000 1.044 498 K CA 1.268 57.481 56.287 -0.122 0.000 0.942 498 K CB -0.643 31.803 32.500 -0.090 0.000 0.727 498 K HN 0.495 nan 8.250 nan 0.000 0.439 499 E N 0.362 120.452 120.200 -0.183 0.000 2.170 499 E HA 0.116 4.465 4.350 -0.001 0.000 0.191 499 E C 0.404 176.875 176.600 -0.215 0.000 0.981 499 E CA 0.587 56.893 56.400 -0.157 0.000 0.830 499 E CB 0.068 29.699 29.700 -0.115 0.000 0.775 499 E HN 0.522 nan 8.360 nan 0.000 0.470 500 Q N 0.130 119.625 119.800 -0.508 0.000 2.457 500 Q HA -0.235 4.104 4.340 -0.001 0.000 0.283 500 Q C -0.770 175.177 176.000 -0.089 0.000 1.234 500 Q CA 0.565 55.910 55.803 -0.764 0.000 0.877 500 Q CB -1.571 26.998 28.738 -0.282 0.000 1.250 500 Q HN 0.211 nan 8.270 nan 0.000 0.481 501 K N 0.518 120.899 120.400 -0.032 0.000 2.258 501 K HA 0.512 4.831 4.320 -0.001 0.000 0.264 501 K C 0.071 176.975 176.600 0.505 0.000 1.007 501 K CA 0.272 56.670 56.287 0.186 0.000 0.941 501 K CB 0.418 32.968 32.500 0.085 0.000 0.966 501 K HN 0.212 nan 8.250 nan 0.000 0.480 502 F N -0.411 119.706 119.950 0.280 0.000 2.711 502 F HA 0.594 5.121 4.527 -0.001 0.000 0.313 502 F C -0.988 174.922 175.800 0.185 0.000 1.141 502 F CA -1.540 56.658 58.000 0.331 0.000 0.941 502 F CB 0.748 39.951 39.000 0.339 0.000 1.349 502 F HN 0.409 nan 8.300 nan 0.000 0.464 503 I N -0.684 120.021 120.570 0.224 0.000 2.797 503 I HA 0.630 4.800 4.170 -0.001 0.000 0.307 503 I C -1.084 175.188 176.117 0.259 0.000 1.033 503 I CA -0.840 60.432 61.300 -0.047 0.000 1.071 503 I CB 1.910 39.664 38.000 -0.410 0.000 1.255 503 I HN 0.451 nan 8.210 nan 0.000 0.445 504 D N 3.450 123.973 120.400 0.205 0.000 2.283 504 D HA 0.451 5.091 4.640 -0.001 0.000 0.248 504 D C -0.918 175.474 176.300 0.154 0.000 1.072 504 D CA 0.022 54.239 54.000 0.362 0.000 0.929 504 D CB 2.312 43.322 40.800 0.351 0.000 1.182 504 D HN 0.261 nan 8.370 nan 0.000 0.433 505 L N 2.965 124.279 121.223 0.153 0.000 2.388 505 L HA 0.273 4.613 4.340 -0.001 0.000 0.267 505 L C -0.659 176.134 176.870 -0.129 0.000 0.995 505 L CA -0.340 54.532 54.840 0.053 0.000 0.864 505 L CB 0.170 42.327 42.059 0.163 0.000 1.216 505 L HN 0.501 nan 8.230 nan 0.000 0.430 506 N N -0.226 118.399 118.700 -0.124 0.000 3.526 506 N HA 0.318 5.058 4.740 -0.001 0.000 0.328 506 N C 0.315 175.718 175.510 -0.179 0.000 1.601 506 N CA -0.028 52.892 53.050 -0.217 0.000 0.834 506 N CB 0.338 38.757 38.487 -0.114 0.000 1.983 506 N HN 0.062 nan 8.380 nan 0.000 0.579 507 T N -3.500 110.942 114.554 -0.186 0.000 3.129 507 T HA 0.238 4.587 4.350 -0.001 0.000 0.251 507 T C -0.062 174.608 174.700 -0.049 0.000 1.117 507 T CA 0.272 62.284 62.100 -0.148 0.000 1.034 507 T CB -0.445 68.315 68.868 -0.181 0.000 0.968 507 T HN 0.478 nan 8.240 nan 0.000 0.526 508 E N 1.961 122.150 120.200 -0.019 0.000 2.280 508 E HA 0.383 4.732 4.350 -0.001 0.000 0.264 508 E C -2.618 173.987 176.600 0.008 0.000 1.064 508 E CA -2.642 53.763 56.400 0.007 0.000 0.900 508 E CB 0.407 30.124 29.700 0.028 0.000 1.123 508 E HN 0.119 nan 8.360 nan 0.000 0.418 509 P HA -0.122 nan 4.420 nan 0.000 0.262 509 P C -0.355 176.951 177.300 0.009 0.000 1.182 509 P CA 0.519 63.628 63.100 0.014 0.000 0.761 509 P CB 0.307 32.014 31.700 0.013 0.000 0.795 510 M N 3.110 122.719 119.600 0.015 0.000 2.255 510 M HA -0.050 4.430 4.480 -0.001 0.000 0.356 510 M C -0.391 175.876 176.300 -0.054 0.000 1.338 510 M CA 1.107 56.404 55.300 -0.005 0.000 0.962 510 M CB 0.127 32.741 32.600 0.023 0.000 1.877 510 M HN 0.016 nan 8.290 nan 0.000 0.463 511 K N 3.911 124.241 120.400 -0.117 0.000 2.316 511 K HA 0.650 4.969 4.320 -0.001 0.000 0.251 511 K C -1.205 175.111 176.600 -0.473 0.000 0.934 511 K CA -0.825 55.305 56.287 -0.262 0.000 0.802 511 K CB 2.303 34.641 32.500 -0.270 0.000 1.171 511 K HN 0.638 nan 8.250 nan 0.000 0.426 512 V N 3.796 123.415 119.914 -0.491 0.000 2.472 512 V HA 0.509 4.629 4.120 -0.001 0.000 0.290 512 V C -0.047 175.603 176.094 -0.739 0.000 1.037 512 V CA -0.538 61.468 62.300 -0.490 0.000 0.908 512 V CB 1.153 32.849 31.823 -0.212 0.000 0.985 512 V HN 0.843 nan 8.190 nan 0.000 0.454 513 H N 2.932 121.642 119.070 -0.599 0.000 2.949 513 H HA 0.663 5.219 4.556 -0.001 0.000 0.310 513 H C -1.140 173.883 175.328 -0.509 0.000 1.405 513 H CA -0.865 54.803 56.048 -0.632 0.000 1.253 513 H CB 2.110 31.320 29.762 -0.921 0.000 1.932 513 H HN 0.548 nan 8.280 nan 0.000 0.602 514 Q N 0.455 120.256 119.800 0.001 0.000 2.416 514 Q HA 0.328 4.668 4.340 -0.001 0.000 0.281 514 Q C -0.654 175.580 176.000 0.389 0.000 1.067 514 Q CA -1.006 54.922 55.803 0.209 0.000 0.809 514 Q CB 2.887 31.677 28.738 0.087 0.000 1.418 514 Q HN 0.451 nan 8.270 nan 0.000 0.411 515 R N 0.539 121.274 120.500 0.391 0.000 3.209 515 R HA -0.190 4.150 4.340 -0.001 0.000 0.252 515 R C -0.650 175.797 176.300 0.245 0.000 0.958 515 R CA -0.024 56.242 56.100 0.276 0.000 0.651 515 R CB -2.173 28.228 30.300 0.168 0.000 1.142 515 R HN 0.602 nan 8.270 nan 0.000 0.441 516 L N 1.929 123.244 121.223 0.154 0.000 2.700 516 L HA -0.035 4.305 4.340 -0.001 0.000 0.276 516 L C 1.141 177.968 176.870 -0.073 0.000 1.200 516 L CA 0.891 55.583 54.840 -0.246 0.000 0.951 516 L CB -0.215 41.356 42.059 -0.813 0.000 1.226 516 L HN 0.485 nan 8.230 nan 0.000 0.489 517 R N 2.016 122.488 120.500 -0.046 0.000 3.484 517 R HA -0.216 4.124 4.340 -0.001 0.000 0.260 517 R C 1.278 177.635 176.300 0.095 0.000 1.053 517 R CA 0.601 56.722 56.100 0.035 0.000 0.703 517 R CB -1.744 28.595 30.300 0.065 0.000 1.089 517 R HN 0.753 nan 8.270 nan 0.000 0.459 518 V N -2.312 117.658 119.914 0.093 0.000 2.282 518 V HA -0.371 3.748 4.120 -0.001 0.000 0.249 518 V C 2.302 178.465 176.094 0.115 0.000 1.057 518 V CA 2.270 64.638 62.300 0.113 0.000 1.032 518 V CB -0.540 31.343 31.823 0.099 0.000 0.645 518 V HN 0.353 nan 8.190 nan 0.000 0.447 519 Q N -0.152 119.698 119.800 0.083 0.000 2.014 519 Q HA -0.202 4.138 4.340 -0.001 0.000 0.207 519 Q C 2.182 178.237 176.000 0.093 0.000 0.993 519 Q CA 2.290 58.128 55.803 0.058 0.000 0.850 519 Q CB -0.421 28.324 28.738 0.012 0.000 0.916 519 Q HN 0.526 nan 8.270 nan 0.000 0.417 520 M N -0.983 118.692 119.600 0.126 0.000 2.175 520 M HA -0.139 4.341 4.480 -0.001 0.000 0.264 520 M C 2.378 178.948 176.300 0.451 0.000 1.063 520 M CA 0.971 56.418 55.300 0.245 0.000 1.119 520 M CB -1.255 31.552 32.600 0.345 0.000 1.377 520 M HN 0.348 nan 8.290 nan 0.000 0.415 521 c N -0.495 118.321 118.600 0.361 0.000 2.448 521 c HA -0.020 4.550 4.570 -0.001 0.000 0.280 521 c C 2.925 177.196 174.090 0.302 0.000 1.398 521 c CA 0.179 56.734 56.329 0.377 0.000 1.774 521 c CB -0.928 41.740 42.510 0.263 0.000 1.888 521 c HN 0.320 nan 8.230 nan 0.000 0.519 522 V N 0.533 120.584 119.914 0.230 0.000 2.427 522 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 522 V C 2.049 178.261 176.094 0.196 0.000 1.051 522 V CA 2.072 64.480 62.300 0.179 0.000 1.048 522 V CB -0.781 31.119 31.823 0.128 0.000 0.666 522 V HN 0.565 nan 8.190 nan 0.000 0.456 523 F N 0.040 120.018 119.950 0.045 0.000 2.075 523 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 523 F C 1.976 177.751 175.800 -0.042 0.000 1.113 523 F CA 1.874 59.847 58.000 -0.045 0.000 1.218 523 F CB -0.361 38.493 39.000 -0.244 0.000 0.984 523 F HN 0.172 nan 8.300 nan 0.000 0.472 524 W N 0.369 121.806 121.300 0.227 0.000 2.436 524 W HA -0.070 4.589 4.660 -0.001 0.000 0.284 524 W C 1.990 178.501 176.519 -0.014 0.000 1.225 524 W CA 0.714 58.109 57.345 0.083 0.000 1.271 524 W CB -0.412 29.200 29.460 0.254 0.000 1.114 524 W HN -0.022 nan 8.180 nan 0.000 0.559 525 N N -0.889 117.939 118.700 0.213 0.000 2.415 525 N HA -0.005 4.735 4.740 -0.001 0.000 0.174 525 N C 1.396 176.909 175.510 0.006 0.000 1.048 525 N CA 0.874 53.965 53.050 0.068 0.000 0.895 525 N CB -0.039 38.504 38.487 0.092 0.000 1.036 525 N HN 0.339 nan 8.380 nan 0.000 0.449 526 Q N -1.181 118.640 119.800 0.036 0.000 2.644 526 Q HA 0.210 4.550 4.340 -0.001 0.000 0.220 526 Q C 1.213 177.214 176.000 0.002 0.000 0.866 526 Q CA -0.118 55.703 55.803 0.030 0.000 0.915 526 Q CB 0.104 28.892 28.738 0.084 0.000 1.191 526 Q HN 0.119 nan 8.270 nan 0.000 0.641 527 F N 1.915 121.763 119.950 -0.169 0.000 2.060 527 F HA -0.187 4.340 4.527 -0.001 0.000 0.295 527 F C 2.003 177.601 175.800 -0.337 0.000 1.120 527 F CA 1.034 58.897 58.000 -0.228 0.000 1.205 527 F CB -0.301 38.570 39.000 -0.215 0.000 0.986 527 F HN 0.041 nan 8.300 nan 0.000 0.470 528 L N 1.227 122.069 121.223 -0.635 0.000 2.013 528 L HA -0.125 4.214 4.340 -0.001 0.000 0.212 528 L C -0.859 175.747 176.870 -0.440 0.000 1.073 528 L CA 2.307 56.718 54.840 -0.715 0.000 0.753 528 L CB -1.943 39.619 42.059 -0.829 0.000 0.890 528 L HN 0.041 nan 8.230 nan 0.000 0.432 529 P HA -0.182 nan 4.420 nan 0.000 0.217 529 P C 1.494 178.671 177.300 -0.205 0.000 1.150 529 P CA 1.467 64.468 63.100 -0.166 0.000 0.832 529 P CB -0.056 31.581 31.700 -0.105 0.000 0.787 530 K N -0.045 120.204 120.400 -0.252 0.000 2.026 530 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 530 K C 2.057 178.465 176.600 -0.320 0.000 1.048 530 K CA 1.120 57.264 56.287 -0.238 0.000 0.929 530 K CB -0.804 31.569 32.500 -0.211 0.000 0.713 530 K HN 0.047 nan 8.250 nan 0.000 0.439 531 L N 1.081 121.978 121.223 -0.543 0.000 2.012 531 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 531 L C 2.107 178.803 176.870 -0.291 0.000 1.073 531 L CA 1.339 55.872 54.840 -0.511 0.000 0.748 531 L CB -0.196 41.400 42.059 -0.772 0.000 0.891 531 L HN 0.255 nan 8.230 nan 0.000 0.431 532 L N -0.047 121.022 121.223 -0.256 0.000 2.131 532 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 532 L C 2.217 179.017 176.870 -0.117 0.000 1.092 532 L CA 1.414 56.158 54.840 -0.160 0.000 0.759 532 L CB -0.701 41.290 42.059 -0.114 0.000 0.903 532 L HN 0.412 nan 8.230 nan 0.000 0.435 533 N N -0.017 118.610 118.700 -0.121 0.000 2.331 533 N HA -0.103 4.637 4.740 -0.001 0.000 0.180 533 N C 1.619 177.080 175.510 -0.081 0.000 1.019 533 N CA 1.167 54.164 53.050 -0.088 0.000 0.881 533 N CB 0.159 38.596 38.487 -0.082 0.000 0.972 533 N HN 0.292 nan 8.380 nan 0.000 0.435 534 A N -1.244 121.516 122.820 -0.101 0.000 1.924 534 A HA 0.115 4.434 4.320 -0.001 0.000 0.211 534 A C 1.524 179.067 177.584 -0.070 0.000 1.198 534 A CA 0.897 52.886 52.037 -0.080 0.000 0.657 534 A CB -0.770 18.177 19.000 -0.088 0.000 0.852 534 A HN 0.330 nan 8.150 nan 0.000 0.454 535 T N -1.355 113.148 114.554 -0.084 0.000 2.810 535 T HA 0.610 4.959 4.350 -0.001 0.000 0.277 535 T C -0.171 174.492 174.700 -0.062 0.000 0.973 535 T CA 0.380 62.439 62.100 -0.069 0.000 0.949 535 T CB 0.918 69.739 68.868 -0.078 0.000 1.075 535 T HN 1.380 nan 8.240 nan 0.000 0.537 536 A N 0.000 122.789 122.820 -0.052 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486