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 2vjc_1_B DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.648 174.600 0.080 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.229 63.200 0.048 0.000 0.593 5 E N 3.081 123.338 120.200 0.094 0.000 2.085 5 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 5 E C 1.349 178.099 176.600 0.250 0.000 0.994 5 E CA 1.598 58.090 56.400 0.153 0.000 0.801 5 E CB -0.104 29.681 29.700 0.141 0.000 0.743 5 E HN 0.730 nan 8.360 nan 0.000 0.453 6 L N 0.614 121.938 121.223 0.168 0.000 2.465 6 L HA -0.017 4.322 4.340 -0.000 0.000 0.224 6 L C 0.720 177.757 176.870 0.278 0.000 1.145 6 L CA -0.143 54.787 54.840 0.151 0.000 0.834 6 L CB -0.007 42.044 42.059 -0.012 0.000 0.944 6 L HN 0.100 nan 8.230 nan 0.000 0.451 7 L N 0.931 122.281 121.223 0.212 0.000 2.276 7 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 7 L C -0.607 176.336 176.870 0.122 0.000 1.024 7 L CA -0.177 54.771 54.840 0.180 0.000 0.826 7 L CB 1.227 43.348 42.059 0.103 0.000 1.211 7 L HN -0.315 nan 8.230 nan 0.000 0.422 8 V N 4.414 124.400 119.914 0.120 0.000 2.709 8 V HA 0.518 4.638 4.120 -0.000 0.000 0.308 8 V C -0.804 175.237 176.094 -0.087 0.000 1.062 8 V CA -0.839 61.394 62.300 -0.111 0.000 0.901 8 V CB 2.255 33.785 31.823 -0.488 0.000 1.003 8 V HN 0.873 nan 8.190 nan 0.000 0.425 9 N N 1.420 119.988 118.700 -0.220 0.000 2.424 9 N HA 0.599 5.339 4.740 -0.000 0.000 0.271 9 N C -0.250 174.989 175.510 -0.451 0.000 0.985 9 N CA -0.553 52.354 53.050 -0.237 0.000 0.921 9 N CB 1.718 40.058 38.487 -0.245 0.000 1.149 9 N HN 0.740 nan 8.380 nan 0.000 0.492 10 T N -0.961 113.435 114.554 -0.263 0.000 2.910 10 T HA 0.367 4.717 4.350 -0.000 0.000 0.279 10 T C 0.909 175.423 174.700 -0.311 0.000 0.989 10 T CA -0.598 61.347 62.100 -0.258 0.000 0.968 10 T CB 0.964 69.919 68.868 0.144 0.000 1.135 10 T HN 0.232 nan 8.240 nan 0.000 0.562 11 K N 0.159 120.442 120.400 -0.195 0.000 2.360 11 K HA 0.134 4.454 4.320 -0.000 0.000 0.201 11 K C 2.011 178.501 176.600 -0.185 0.000 1.046 11 K CA 0.896 57.089 56.287 -0.157 0.000 0.945 11 K CB -0.257 32.202 32.500 -0.068 0.000 0.750 11 K HN 0.521 nan 8.250 nan 0.000 0.464 12 S N -0.844 114.723 115.700 -0.222 0.000 2.540 12 S HA 0.373 4.843 4.470 -0.000 0.000 0.218 12 S C 0.277 174.183 174.600 -1.157 0.000 0.977 12 S CA 0.182 58.132 58.200 -0.417 0.000 0.918 12 S CB 0.958 64.106 63.200 -0.086 0.000 0.806 12 S HN 0.464 nan 8.310 nan 0.000 0.496 13 G N 1.304 109.551 108.800 -0.921 0.000 2.351 13 G HA2 0.081 4.041 3.960 -0.000 0.000 0.353 13 G HA3 0.081 4.041 3.960 -0.000 0.000 0.353 13 G C -1.614 173.096 174.900 -0.317 0.000 1.358 13 G CA -1.181 43.306 45.100 -1.022 0.000 0.995 13 G HN 0.120 nan 8.290 nan 0.000 0.611 14 K N -0.920 119.496 120.400 0.027 0.000 2.168 14 K HA 0.668 4.988 4.320 -0.000 0.000 0.258 14 K C -0.342 176.623 176.600 0.608 0.000 1.010 14 K CA -0.520 55.922 56.287 0.259 0.000 0.929 14 K CB 1.692 34.308 32.500 0.194 0.000 0.998 14 K HN 0.415 nan 8.250 nan 0.000 0.479 15 V N 2.026 122.229 119.914 0.482 0.000 2.888 15 V HA 0.299 4.419 4.120 -0.000 0.000 0.309 15 V C -1.306 175.064 176.094 0.459 0.000 1.114 15 V CA -0.931 61.706 62.300 0.562 0.000 0.940 15 V CB 1.958 34.160 31.823 0.633 0.000 1.021 15 V HN 0.701 nan 8.190 nan 0.000 0.426 16 M N 3.471 123.308 119.600 0.394 0.000 2.085 16 M HA 0.753 5.233 4.480 -0.000 0.000 0.309 16 M C 0.163 176.547 176.300 0.139 0.000 0.947 16 M CA -0.061 55.392 55.300 0.254 0.000 0.918 16 M CB 0.974 33.666 32.600 0.153 0.000 1.504 16 M HN 0.784 nan 8.290 nan 0.000 0.420 17 G N 1.614 110.383 108.800 -0.052 0.000 2.535 17 G HA2 0.569 4.529 3.960 -0.000 0.000 0.282 17 G HA3 0.569 4.529 3.960 -0.000 0.000 0.282 17 G C -0.952 173.738 174.900 -0.350 0.000 1.350 17 G CA -0.305 44.452 45.100 -0.572 0.000 1.039 17 G HN 0.669 nan 8.290 nan 0.000 0.509 18 T N -1.720 112.596 114.554 -0.397 0.000 2.909 18 T HA 0.519 4.868 4.350 -0.000 0.000 0.299 18 T C -0.569 174.018 174.700 -0.188 0.000 1.073 18 T CA -0.723 61.244 62.100 -0.221 0.000 0.999 18 T CB 1.538 70.303 68.868 -0.172 0.000 1.098 18 T HN 0.592 nan 8.240 nan 0.000 0.477 19 R N 2.925 123.365 120.500 -0.100 0.000 2.234 19 R HA 0.593 4.933 4.340 -0.000 0.000 0.324 19 R C -0.427 175.878 176.300 0.009 0.000 1.054 19 R CA -0.434 55.646 56.100 -0.033 0.000 0.912 19 R CB 0.213 30.498 30.300 -0.025 0.000 1.030 19 R HN 0.529 nan 8.270 nan 0.000 0.455 20 V N 3.170 123.107 119.914 0.039 0.000 2.513 20 V HA 0.719 4.838 4.120 -0.000 0.000 0.299 20 V C -2.358 173.753 176.094 0.028 0.000 1.035 20 V CA -2.635 59.683 62.300 0.029 0.000 0.889 20 V CB 1.519 33.350 31.823 0.013 0.000 0.988 20 V HN 0.783 nan 8.190 nan 0.000 0.440 21 P HA 0.398 nan 4.420 nan 0.000 0.274 21 P C -0.859 176.261 177.300 -0.301 0.000 1.231 21 P CA -0.154 62.791 63.100 -0.258 0.000 0.790 21 P CB 2.026 33.609 31.700 -0.196 0.000 0.951 22 V N 5.052 124.704 119.914 -0.437 0.000 2.719 22 V HA 0.128 4.248 4.120 -0.000 0.000 0.289 22 V C -0.178 175.601 176.094 -0.525 0.000 1.167 22 V CA -0.756 61.265 62.300 -0.465 0.000 0.929 22 V CB 0.552 32.046 31.823 -0.549 0.000 1.050 22 V HN 0.507 nan 8.190 nan 0.000 0.448 23 L N 6.096 127.155 121.223 -0.273 0.000 3.895 23 L HA -0.247 4.093 4.340 -0.000 0.000 0.511 23 L C 1.190 177.928 176.870 -0.221 0.000 1.222 23 L CA 1.021 55.745 54.840 -0.193 0.000 0.739 23 L CB -1.839 40.131 42.059 -0.148 0.000 1.425 23 L HN 1.107 nan 8.230 nan 0.000 0.817 24 S N -2.801 112.777 115.700 -0.203 0.000 2.829 24 S HA -0.257 4.213 4.470 -0.000 0.000 0.267 24 S C 0.669 175.151 174.600 -0.196 0.000 1.293 24 S CA 1.665 59.772 58.200 -0.155 0.000 1.375 24 S CB -0.487 62.678 63.200 -0.058 0.000 1.700 24 S HN 0.849 nan 8.310 nan 0.000 0.668 25 S N -0.718 114.781 115.700 -0.334 0.000 2.788 25 S HA 0.836 5.306 4.470 -0.000 0.000 0.291 25 S C -0.864 173.403 174.600 -0.555 0.000 1.061 25 S CA -0.472 57.595 58.200 -0.222 0.000 0.923 25 S CB 0.926 64.133 63.200 0.010 0.000 1.339 25 S HN 0.486 nan 8.310 nan 0.000 0.591 26 H N -0.738 118.318 119.070 -0.024 0.000 3.008 26 H HA 0.727 5.283 4.556 -0.000 0.000 0.354 26 H C -0.740 174.639 175.328 0.084 0.000 1.252 26 H CA -0.383 55.659 56.048 -0.010 0.000 1.117 26 H CB 1.318 31.086 29.762 0.010 0.000 1.857 26 H HN 0.719 nan 8.280 nan 0.000 0.547 27 I N -2.401 118.293 120.570 0.207 0.000 3.093 27 I HA 0.659 4.829 4.170 -0.000 0.000 0.308 27 I C -1.082 175.140 176.117 0.175 0.000 1.303 27 I CA -0.987 60.450 61.300 0.227 0.000 0.975 27 I CB 2.580 40.743 38.000 0.272 0.000 1.286 27 I HN 0.378 nan 8.210 nan 0.000 0.459 28 S N 1.907 117.722 115.700 0.191 0.000 2.525 28 S HA 0.809 5.279 4.470 -0.000 0.000 0.278 28 S C -0.205 174.417 174.600 0.037 0.000 1.234 28 S CA -0.474 57.776 58.200 0.083 0.000 1.058 28 S CB 1.388 64.717 63.200 0.214 0.000 0.983 28 S HN 0.863 nan 8.310 nan 0.000 0.495 29 A N 2.551 125.212 122.820 -0.264 0.000 2.359 29 A HA 0.770 5.090 4.320 -0.000 0.000 0.303 29 A C -1.296 175.939 177.584 -0.582 0.000 1.066 29 A CA -0.637 51.172 52.037 -0.379 0.000 0.730 29 A CB 0.478 19.259 19.000 -0.364 0.000 1.211 29 A HN 0.655 nan 8.150 nan 0.000 0.439 30 F N 2.914 122.712 119.950 -0.253 0.000 2.359 30 F HA 0.471 4.998 4.527 -0.000 0.000 0.369 30 F C -0.158 175.498 175.800 -0.240 0.000 1.084 30 F CA -0.402 57.526 58.000 -0.120 0.000 1.096 30 F CB 1.206 40.222 39.000 0.028 0.000 1.335 30 F HN 0.355 nan 8.300 nan 0.000 0.457 31 L N 2.255 123.413 121.223 -0.109 0.000 2.309 31 L HA 0.698 5.038 4.340 -0.000 0.000 0.282 31 L C 0.928 177.817 176.870 0.033 0.000 1.036 31 L CA -0.998 53.783 54.840 -0.098 0.000 0.806 31 L CB 1.530 43.458 42.059 -0.218 0.000 1.220 31 L HN 0.821 nan 8.230 nan 0.000 0.429 32 G N 3.288 112.131 108.800 0.072 0.000 2.272 32 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 32 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 32 G C -0.230 174.725 174.900 0.092 0.000 1.067 32 G CA -0.329 44.813 45.100 0.070 0.000 0.902 32 G HN 0.479 nan 8.290 nan 0.000 0.500 33 I N 2.031 122.581 120.570 -0.033 0.000 2.395 33 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 33 I C -1.431 174.482 176.117 -0.340 0.000 1.023 33 I CA -2.321 58.786 61.300 -0.322 0.000 1.350 33 I CB 1.447 39.242 38.000 -0.342 0.000 1.409 33 I HN 0.010 nan 8.210 nan 0.000 0.507 34 P HA 0.105 nan 4.420 nan 0.000 0.279 34 P C -0.397 176.566 177.300 -0.562 0.000 1.239 34 P CA -0.088 62.526 63.100 -0.810 0.000 0.789 34 P CB 0.820 31.966 31.700 -0.923 0.000 0.933 35 F N 0.395 120.044 119.950 -0.501 0.000 2.767 35 F HA 0.729 5.256 4.527 -0.000 0.000 0.323 35 F C -0.021 175.707 175.800 -0.120 0.000 1.091 35 F CA -0.840 56.961 58.000 -0.331 0.000 1.192 35 F CB 0.014 38.775 39.000 -0.398 0.000 1.056 35 F HN 0.358 nan 8.300 nan 0.000 0.571 36 A N 0.052 122.569 122.820 -0.505 0.000 2.569 36 A HA 0.645 4.965 4.320 -0.000 0.000 0.290 36 A C -0.896 176.515 177.584 -0.287 0.000 1.136 36 A CA -0.762 51.114 52.037 -0.268 0.000 0.710 36 A CB 1.095 19.911 19.000 -0.306 0.000 1.303 36 A HN 0.063 nan 8.150 nan 0.000 0.413 37 E N 0.730 120.848 120.200 -0.136 0.000 2.366 37 E HA 0.317 4.667 4.350 -0.000 0.000 0.266 37 E C -2.389 174.125 176.600 -0.144 0.000 1.051 37 E CA -1.536 54.803 56.400 -0.101 0.000 0.884 37 E CB 0.323 30.007 29.700 -0.027 0.000 1.006 37 E HN 0.220 nan 8.360 nan 0.000 0.417 38 P HA 0.008 nan 4.420 nan 0.000 0.261 38 P C -2.190 175.059 177.300 -0.085 0.000 1.203 38 P CA -0.668 62.367 63.100 -0.109 0.000 0.767 38 P CB -0.015 31.657 31.700 -0.046 0.000 0.785 39 P HA -0.005 nan 4.420 nan 0.000 0.225 39 P C -0.183 177.066 177.300 -0.085 0.000 1.768 39 P CA 0.136 63.190 63.100 -0.077 0.000 0.943 39 P CB -0.126 31.532 31.700 -0.070 0.000 1.936 40 V N -2.719 117.150 119.914 -0.074 0.000 3.096 40 V HA 0.867 4.987 4.120 -0.000 0.000 0.319 40 V C 1.133 177.184 176.094 -0.072 0.000 1.082 40 V CA 0.152 62.404 62.300 -0.078 0.000 1.022 40 V CB 0.599 32.385 31.823 -0.061 0.000 1.103 40 V HN 0.523 nan 8.190 nan 0.000 0.455 41 G N 2.914 111.669 108.800 -0.076 0.000 2.634 41 G HA2 -0.442 3.517 3.960 -0.000 0.000 0.318 41 G HA3 -0.442 3.517 3.960 -0.000 0.000 0.318 41 G C 0.561 175.413 174.900 -0.079 0.000 1.207 41 G CA 1.450 46.510 45.100 -0.068 0.000 0.987 41 G HN 1.985 nan 8.290 nan 0.000 0.547 42 N N 0.652 119.323 118.700 -0.047 0.000 2.571 42 N HA 0.129 4.869 4.740 -0.000 0.000 0.189 42 N C 1.930 177.424 175.510 -0.027 0.000 1.154 42 N CA 1.909 54.941 53.050 -0.029 0.000 0.907 42 N CB -0.047 38.439 38.487 -0.002 0.000 0.977 42 N HN 0.499 nan 8.380 nan 0.000 0.449 43 M N -0.117 119.455 119.600 -0.046 0.000 2.447 43 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 43 M C 0.851 177.107 176.300 -0.073 0.000 1.095 43 M CA 0.116 55.392 55.300 -0.040 0.000 1.125 43 M CB -0.559 32.016 32.600 -0.041 0.000 1.389 43 M HN 0.248 nan 8.290 nan 0.000 0.459 44 R N 0.859 121.261 120.500 -0.164 0.000 2.523 44 R HA -0.125 4.215 4.340 -0.000 0.000 0.281 44 R C -0.338 175.767 176.300 -0.325 0.000 0.969 44 R CA 0.665 56.542 56.100 -0.372 0.000 1.093 44 R CB 0.072 29.991 30.300 -0.635 0.000 0.917 44 R HN 0.228 nan 8.270 nan 0.000 0.408 45 F N -0.892 119.054 119.950 -0.006 0.000 2.590 45 F HA -0.297 4.230 4.527 -0.000 0.000 0.471 45 F C 0.732 176.508 175.800 -0.038 0.000 0.551 45 F CA 1.338 59.307 58.000 -0.051 0.000 1.228 45 F CB -1.537 37.420 39.000 -0.072 0.000 1.862 45 F HN 0.649 nan 8.300 nan 0.000 0.271 46 R N 1.506 122.076 120.500 0.117 0.000 2.528 46 R HA 0.503 4.843 4.340 -0.000 0.000 0.271 46 R C 0.538 176.865 176.300 0.046 0.000 1.056 46 R CA -0.650 55.494 56.100 0.073 0.000 1.117 46 R CB 0.722 31.052 30.300 0.050 0.000 1.085 46 R HN 0.081 nan 8.270 nan 0.000 0.530 47 R N 2.644 123.171 120.500 0.045 0.000 2.698 47 R HA 0.042 4.382 4.340 -0.000 0.000 0.266 47 R C -1.848 174.478 176.300 0.043 0.000 1.026 47 R CA -0.849 55.278 56.100 0.044 0.000 1.102 47 R CB -0.051 30.280 30.300 0.052 0.000 0.978 47 R HN 0.524 nan 8.270 nan 0.000 0.436 48 P HA 0.055 nan 4.420 nan 0.000 0.272 48 P C -0.885 176.452 177.300 0.061 0.000 1.240 48 P CA -0.042 63.092 63.100 0.057 0.000 0.791 48 P CB 0.819 32.582 31.700 0.105 0.000 0.978 49 E N 0.924 121.153 120.200 0.048 0.000 2.293 49 E HA 0.472 4.822 4.350 -0.000 0.000 0.270 49 E C -2.623 174.019 176.600 0.070 0.000 0.879 49 E CA -2.903 53.530 56.400 0.055 0.000 0.756 49 E CB 1.115 30.837 29.700 0.037 0.000 1.208 49 E HN 0.212 nan 8.360 nan 0.000 0.428 50 P HA -0.012 nan 4.420 nan 0.000 0.264 50 P C -1.149 176.217 177.300 0.110 0.000 1.183 50 P CA -0.127 63.052 63.100 0.132 0.000 0.763 50 P CB 0.367 32.145 31.700 0.130 0.000 0.807 51 K N 4.359 124.835 120.400 0.125 0.000 2.451 51 K HA -0.003 4.317 4.320 -0.000 0.000 0.280 51 K C 0.140 176.844 176.600 0.173 0.000 1.020 51 K CA 0.251 56.607 56.287 0.115 0.000 1.008 51 K CB 0.022 32.593 32.500 0.118 0.000 0.917 51 K HN 0.351 nan 8.250 nan 0.000 0.478 52 K N 4.571 125.068 120.400 0.161 0.000 2.185 52 K HA 0.348 4.668 4.320 -0.000 0.000 0.271 52 K C -2.279 174.445 176.600 0.207 0.000 1.013 52 K CA -1.970 54.406 56.287 0.149 0.000 0.943 52 K CB 0.276 32.845 32.500 0.115 0.000 0.998 52 K HN 0.332 nan 8.250 nan 0.000 0.468 53 P HA -0.122 nan 4.420 nan 0.000 0.264 53 P C -1.267 176.124 177.300 0.151 0.000 1.173 53 P CA 0.286 63.378 63.100 -0.012 0.000 0.761 53 P CB 0.110 31.764 31.700 -0.078 0.000 0.794 54 W N 0.982 122.362 121.300 0.132 0.000 2.820 54 W HA 0.748 5.408 4.660 -0.000 0.000 0.350 54 W C -1.091 175.507 176.519 0.131 0.000 1.116 54 W CA -0.765 56.676 57.345 0.159 0.000 1.146 54 W CB 0.328 29.954 29.460 0.276 0.000 1.433 54 W HN 0.108 nan 8.180 nan 0.000 0.561 55 S N 0.751 116.674 115.700 0.372 0.000 2.681 55 S HA 0.811 5.281 4.470 -0.000 0.000 0.299 55 S C 0.346 175.154 174.600 0.347 0.000 1.113 55 S CA 0.311 58.647 58.200 0.226 0.000 1.013 55 S CB 0.996 64.280 63.200 0.140 0.000 1.076 55 S HN 1.551 nan 8.310 nan 0.000 0.534 56 G N 0.096 109.030 108.800 0.224 0.000 2.698 56 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.233 56 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.233 56 G C -0.894 174.205 174.900 0.332 0.000 1.352 56 G CA -0.465 44.766 45.100 0.219 0.000 0.879 56 G HN 0.967 nan 8.290 nan 0.000 0.567 57 V N 0.879 120.948 119.914 0.258 0.000 2.394 57 V HA 0.465 4.585 4.120 -0.000 0.000 0.282 57 V C 0.378 176.643 176.094 0.284 0.000 1.031 57 V CA -0.475 62.008 62.300 0.306 0.000 0.881 57 V CB 1.673 33.608 31.823 0.186 0.000 0.982 57 V HN 0.681 nan 8.190 nan 0.000 0.451 58 W N 5.711 127.144 121.300 0.221 0.000 2.345 58 W HA 0.224 4.884 4.660 -0.000 0.000 0.308 58 W C 0.267 176.800 176.519 0.024 0.000 1.273 58 W CA -0.558 56.771 57.345 -0.026 0.000 1.243 58 W CB 0.799 30.105 29.460 -0.258 0.000 1.260 58 W HN 0.613 nan 8.180 nan 0.000 0.509 59 N N 4.699 123.332 118.700 -0.111 0.000 2.406 59 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 59 N C -0.482 175.128 175.510 0.167 0.000 1.203 59 N CA 0.283 53.333 53.050 -0.001 0.000 0.945 59 N CB 0.885 39.290 38.487 -0.138 0.000 1.165 59 N HN 0.390 nan 8.380 nan 0.000 0.485 60 A N 2.875 125.841 122.820 0.243 0.000 3.213 60 A HA 0.200 4.520 4.320 -0.000 0.000 0.308 60 A C 0.973 178.567 177.584 0.017 0.000 1.177 60 A CA -0.459 51.709 52.037 0.217 0.000 1.010 60 A CB -0.436 18.749 19.000 0.307 0.000 1.092 60 A HN 0.628 nan 8.150 nan 0.000 0.583 61 S N -0.996 114.684 115.700 -0.033 0.000 2.539 61 S HA 0.191 4.661 4.470 -0.000 0.000 0.221 61 S C 0.693 175.208 174.600 -0.140 0.000 0.987 61 S CA 0.561 58.694 58.200 -0.110 0.000 0.929 61 S CB -0.229 62.915 63.200 -0.094 0.000 0.832 61 S HN 0.881 nan 8.310 nan 0.000 0.492 62 T N -0.939 113.551 114.554 -0.107 0.000 2.906 62 T HA 0.647 4.997 4.350 -0.000 0.000 0.295 62 T C -0.863 173.807 174.700 -0.049 0.000 1.061 62 T CA -0.726 61.303 62.100 -0.118 0.000 1.000 62 T CB 0.761 69.585 68.868 -0.074 0.000 1.103 62 T HN 0.059 nan 8.240 nan 0.000 0.486 63 Y N 2.791 123.061 120.300 -0.050 0.000 2.550 63 Y HA 0.344 4.894 4.550 -0.000 0.000 0.343 63 Y C -1.358 174.480 175.900 -0.103 0.000 1.245 63 Y CA -1.339 56.732 58.100 -0.049 0.000 1.462 63 Y CB 0.120 38.571 38.460 -0.015 0.000 1.340 63 Y HN 0.564 nan 8.280 nan 0.000 0.604 64 P HA 0.143 nan 4.420 nan 0.000 0.297 64 P C -0.720 176.497 177.300 -0.137 0.000 1.307 64 P CA -0.563 62.412 63.100 -0.208 0.000 0.773 64 P CB 1.028 32.482 31.700 -0.411 0.000 1.265 65 N N 0.052 118.641 118.700 -0.185 0.000 2.399 65 N HA 0.128 4.868 4.740 -0.000 0.000 0.250 65 N C 0.006 175.478 175.510 -0.064 0.000 1.272 65 N CA 0.155 53.144 53.050 -0.102 0.000 0.928 65 N CB -0.172 38.264 38.487 -0.086 0.000 1.158 65 N HN 0.416 nan 8.380 nan 0.000 0.463 66 N N -0.933 117.725 118.700 -0.071 0.000 2.472 66 N HA 0.332 5.072 4.740 -0.000 0.000 0.289 66 N C -0.543 174.924 175.510 -0.072 0.000 1.156 66 N CA -0.687 52.316 53.050 -0.077 0.000 0.940 66 N CB 1.131 39.548 38.487 -0.115 0.000 1.200 66 N HN 0.395 nan 8.380 nan 0.000 0.511 67 c N 1.278 119.837 118.600 -0.068 0.000 2.689 67 c HA 0.056 4.626 4.570 -0.000 0.000 0.409 67 c C 0.597 174.611 174.090 -0.126 0.000 1.293 67 c CA -0.595 55.678 56.329 -0.093 0.000 2.136 67 c CB -0.109 42.371 42.510 -0.050 0.000 2.719 67 c HN 0.531 nan 8.230 nan 0.000 0.644 68 Q N 2.635 122.290 119.800 -0.242 0.000 2.286 68 Q HA 0.186 4.526 4.340 -0.000 0.000 0.290 68 Q C -0.029 175.949 176.000 -0.036 0.000 1.049 68 Q CA 1.033 56.689 55.803 -0.244 0.000 0.923 68 Q CB 0.319 28.674 28.738 -0.639 0.000 1.183 68 Q HN 0.890 nan 8.270 nan 0.000 0.383 69 Q N 1.229 121.078 119.800 0.082 0.000 2.633 69 Q HA 0.311 4.650 4.340 -0.000 0.000 0.289 69 Q C -1.300 174.875 176.000 0.291 0.000 0.940 69 Q CA -1.024 54.916 55.803 0.228 0.000 0.785 69 Q CB 0.731 29.566 28.738 0.161 0.000 1.467 69 Q HN 0.476 nan 8.270 nan 0.000 0.401 70 Y N 1.047 121.545 120.300 0.329 0.000 2.511 70 Y HA 0.375 4.924 4.550 -0.000 0.000 0.332 70 Y C -1.048 175.035 175.900 0.306 0.000 1.177 70 Y CA 0.248 58.575 58.100 0.378 0.000 1.422 70 Y CB 0.900 39.716 38.460 0.594 0.000 1.271 70 Y HN 0.434 nan 8.280 nan 0.000 0.550 71 V N 6.471 126.113 119.914 -0.455 0.000 2.417 71 V HA 0.140 4.260 4.120 -0.000 0.000 0.291 71 V C -0.698 175.084 176.094 -0.520 0.000 1.024 71 V CA -1.034 61.089 62.300 -0.295 0.000 0.861 71 V CB 1.548 33.283 31.823 -0.147 0.000 0.985 71 V HN 0.781 nan 8.190 nan 0.000 0.436 72 D N 3.537 123.876 120.400 -0.102 0.000 2.339 72 D HA 0.155 4.795 4.640 -0.000 0.000 0.256 72 D C 0.434 176.781 176.300 0.078 0.000 1.214 72 D CA 0.200 54.258 54.000 0.095 0.000 0.877 72 D CB 0.896 41.910 40.800 0.356 0.000 1.111 72 D HN 0.660 nan 8.370 nan 0.000 0.478 73 E N 2.600 122.814 120.200 0.022 0.000 2.685 73 E HA 0.019 4.369 4.350 -0.000 0.000 0.208 73 E C 0.971 177.544 176.600 -0.045 0.000 0.996 73 E CA -0.283 56.121 56.400 0.007 0.000 1.054 73 E CB 0.654 30.337 29.700 -0.028 0.000 1.075 73 E HN 0.449 nan 8.360 nan 0.000 0.460 74 Q N -0.492 119.247 119.800 -0.101 0.000 2.084 74 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 74 Q C -0.033 175.550 176.000 -0.695 0.000 0.978 74 Q CA 1.182 56.676 55.803 -0.515 0.000 0.844 74 Q CB 0.212 28.416 28.738 -0.891 0.000 0.898 74 Q HN 0.226 nan 8.270 nan 0.000 0.426 75 F N 0.482 120.483 119.950 0.085 0.000 2.564 75 F HA 0.368 4.895 4.527 -0.000 0.000 0.361 75 F C -2.132 173.733 175.800 0.108 0.000 1.161 75 F CA -2.946 55.085 58.000 0.052 0.000 1.198 75 F CB 1.039 40.051 39.000 0.021 0.000 1.424 75 F HN -0.176 nan 8.300 nan 0.000 0.517 76 P HA 0.149 nan 4.420 nan 0.000 0.261 76 P C 1.024 178.406 177.300 0.137 0.000 1.183 76 P CA 1.228 64.401 63.100 0.122 0.000 0.761 76 P CB 0.759 32.497 31.700 0.064 0.000 0.785 77 G N 2.785 111.651 108.800 0.109 0.000 2.267 77 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 77 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 77 G C 0.106 175.067 174.900 0.102 0.000 0.998 77 G CA -0.337 44.809 45.100 0.077 0.000 0.620 77 G HN 0.541 nan 8.290 nan 0.000 0.529 78 F N 3.494 123.440 119.950 -0.007 0.000 2.502 78 F HA 0.482 5.009 4.527 -0.000 0.000 0.371 78 F C 1.743 177.486 175.800 -0.095 0.000 1.083 78 F CA -0.008 57.938 58.000 -0.090 0.000 1.174 78 F CB 0.911 39.842 39.000 -0.115 0.000 1.096 78 F HN 0.245 nan 8.300 nan 0.000 0.545 79 S N 3.441 118.752 115.700 -0.648 0.000 2.382 79 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 79 S C 2.292 176.477 174.600 -0.693 0.000 1.027 79 S CA 0.926 58.786 58.200 -0.566 0.000 0.991 79 S CB -1.295 61.624 63.200 -0.469 0.000 0.823 79 S HN 0.809 nan 8.310 nan 0.000 0.469 80 G N 1.799 109.717 108.800 -1.470 0.000 2.469 80 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 80 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 80 G C 1.726 176.792 174.900 0.276 0.000 1.136 80 G CA 1.528 46.076 45.100 -0.920 0.000 0.759 80 G HN 0.801 nan 8.290 nan 0.000 0.562 81 S N -0.070 115.805 115.700 0.293 0.000 2.460 81 S HA 0.106 4.576 4.470 -0.000 0.000 0.226 81 S C 1.859 176.734 174.600 0.459 0.000 1.057 81 S CA 0.782 59.469 58.200 0.811 0.000 0.948 81 S CB -0.166 63.626 63.200 0.988 0.000 0.822 81 S HN 0.483 nan 8.310 nan 0.000 0.512 82 E N 2.302 122.612 120.200 0.183 0.000 2.265 82 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 82 E C 2.038 178.581 176.600 -0.095 0.000 0.996 82 E CA 1.280 57.716 56.400 0.060 0.000 0.832 82 E CB -0.560 29.145 29.700 0.008 0.000 0.756 82 E HN 0.820 nan 8.360 nan 0.000 0.491 83 M N -1.612 117.826 119.600 -0.270 0.000 2.539 83 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 83 M C 0.847 176.723 176.300 -0.707 0.000 1.069 83 M CA 1.405 56.371 55.300 -0.556 0.000 1.081 83 M CB -0.383 31.753 32.600 -0.774 0.000 1.412 83 M HN 0.055 nan 8.290 nan 0.000 0.482 84 W N 0.749 121.998 121.300 -0.085 0.000 3.127 84 W HA 0.319 4.979 4.660 -0.000 0.000 0.344 84 W C 0.284 176.736 176.519 -0.113 0.000 1.151 84 W CA -0.949 56.318 57.345 -0.130 0.000 1.765 84 W CB -0.000 29.424 29.460 -0.060 0.000 1.085 84 W HN 0.090 nan 8.180 nan 0.000 0.596 85 N N 1.452 120.196 118.700 0.073 0.000 2.445 85 N HA 0.201 4.941 4.740 -0.000 0.000 0.264 85 N C -2.499 172.975 175.510 -0.060 0.000 1.227 85 N CA -1.548 51.519 53.050 0.028 0.000 0.963 85 N CB -0.040 38.467 38.487 0.033 0.000 1.188 85 N HN -0.373 nan 8.380 nan 0.000 0.491 86 P HA 0.070 nan 4.420 nan 0.000 0.265 86 P C 0.185 177.426 177.300 -0.097 0.000 1.193 86 P CA -0.006 63.033 63.100 -0.102 0.000 0.765 86 P CB 0.306 31.957 31.700 -0.082 0.000 0.823 87 N N 2.378 121.006 118.700 -0.120 0.000 2.214 87 N HA 0.091 4.831 4.740 -0.000 0.000 0.214 87 N C 0.145 175.611 175.510 -0.074 0.000 1.132 87 N CA 0.004 52.994 53.050 -0.099 0.000 0.856 87 N CB 0.369 38.784 38.487 -0.120 0.000 1.020 87 N HN 0.177 nan 8.380 nan 0.000 0.509 88 R N 0.247 120.700 120.500 -0.079 0.000 2.855 88 R HA 0.280 4.620 4.340 -0.000 0.000 0.266 88 R C -0.643 175.620 176.300 -0.062 0.000 1.034 88 R CA -0.669 55.394 56.100 -0.061 0.000 0.944 88 R CB 1.311 31.572 30.300 -0.065 0.000 1.219 88 R HN 0.293 nan 8.270 nan 0.000 0.474 89 E N 1.610 121.777 120.200 -0.056 0.000 2.392 89 E HA 0.073 4.423 4.350 -0.000 0.000 0.264 89 E C -0.444 176.117 176.600 -0.065 0.000 1.024 89 E CA 0.057 56.424 56.400 -0.056 0.000 0.903 89 E CB 0.661 30.329 29.700 -0.053 0.000 0.963 89 E HN 0.265 nan 8.360 nan 0.000 0.432 90 M N 2.630 122.192 119.600 -0.064 0.000 2.274 90 M HA 0.248 4.728 4.480 -0.000 0.000 0.344 90 M C -0.164 176.083 176.300 -0.088 0.000 1.161 90 M CA -0.105 55.148 55.300 -0.079 0.000 1.126 90 M CB 1.621 34.177 32.600 -0.074 0.000 1.522 90 M HN 0.463 nan 8.290 nan 0.000 0.461 91 S N 0.436 116.070 115.700 -0.111 0.000 2.558 91 S HA 0.188 4.658 4.470 -0.000 0.000 0.277 91 S C -0.054 174.452 174.600 -0.156 0.000 1.143 91 S CA -0.714 57.416 58.200 -0.116 0.000 0.865 91 S CB 1.352 64.511 63.200 -0.069 0.000 1.102 91 S HN 0.844 nan 8.310 nan 0.000 0.454 92 E N 0.967 121.051 120.200 -0.194 0.000 2.268 92 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 92 E C -0.271 176.257 176.600 -0.120 0.000 0.995 92 E CA 0.733 56.996 56.400 -0.228 0.000 0.836 92 E CB 0.057 29.620 29.700 -0.229 0.000 0.763 92 E HN 0.560 nan 8.360 nan 0.000 0.491 93 D N 0.069 120.435 120.400 -0.057 0.000 2.483 93 D HA 0.006 4.646 4.640 -0.000 0.000 0.220 93 D C 0.089 176.473 176.300 0.140 0.000 1.173 93 D CA -0.329 53.682 54.000 0.020 0.000 0.964 93 D CB -0.046 40.786 40.800 0.053 0.000 1.046 93 D HN 0.114 nan 8.370 nan 0.000 0.517 94 c N 2.174 120.829 118.600 0.092 0.000 3.911 94 c HA 0.373 4.943 4.570 -0.000 0.000 0.318 94 c C 0.717 174.900 174.090 0.155 0.000 1.643 94 c CA -0.689 55.758 56.329 0.197 0.000 1.845 94 c CB -1.326 41.217 42.510 0.055 0.000 2.981 94 c HN 0.432 nan 8.230 nan 0.000 0.656 95 L N 2.594 123.661 121.223 -0.260 0.000 2.382 95 L HA 0.349 4.689 4.340 -0.000 0.000 0.259 95 L C -0.679 175.463 176.870 -1.213 0.000 1.291 95 L CA 0.607 55.036 54.840 -0.685 0.000 1.176 95 L CB -0.812 40.710 42.059 -0.896 0.000 1.373 95 L HN 0.386 nan 8.230 nan 0.000 0.426 96 Y N 1.984 122.116 120.300 -0.281 0.000 2.665 96 Y HA 0.742 5.292 4.550 -0.000 0.000 0.336 96 Y C -0.127 175.885 175.900 0.187 0.000 1.085 96 Y CA -1.332 56.682 58.100 -0.142 0.000 1.096 96 Y CB 1.679 40.076 38.460 -0.104 0.000 1.301 96 Y HN 0.153 nan 8.280 nan 0.000 0.493 97 L N -0.444 120.916 121.223 0.229 0.000 2.465 97 L HA 0.729 5.069 4.340 -0.000 0.000 0.257 97 L C -1.487 175.404 176.870 0.036 0.000 0.988 97 L CA -1.196 53.727 54.840 0.137 0.000 0.827 97 L CB 1.835 43.888 42.059 -0.010 0.000 1.397 97 L HN 0.462 nan 8.230 nan 0.000 0.410 98 N N 1.626 120.366 118.700 0.066 0.000 2.335 98 N HA 0.802 5.542 4.740 -0.000 0.000 0.304 98 N C -1.223 174.205 175.510 -0.137 0.000 1.135 98 N CA -0.304 52.700 53.050 -0.076 0.000 0.817 98 N CB 2.726 41.181 38.487 -0.054 0.000 1.294 98 N HN 0.684 nan 8.380 nan 0.000 0.497 99 I N 0.016 120.402 120.570 -0.307 0.000 2.656 99 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 99 I C -0.982 175.047 176.117 -0.147 0.000 1.144 99 I CA -0.720 60.511 61.300 -0.114 0.000 1.038 99 I CB 2.478 40.364 38.000 -0.190 0.000 1.244 99 I HN 0.227 nan 8.210 nan 0.000 0.420 100 W N 5.381 126.820 121.300 0.232 0.000 2.532 100 W HA 0.621 5.281 4.660 -0.000 0.000 0.321 100 W C -1.102 175.566 176.519 0.249 0.000 1.037 100 W CA -0.699 56.787 57.345 0.235 0.000 1.220 100 W CB 2.224 31.791 29.460 0.179 0.000 1.361 100 W HN 0.069 nan 8.180 nan 0.000 0.468 101 V N 4.830 125.022 119.914 0.463 0.000 2.487 101 V HA 0.274 4.394 4.120 -0.000 0.000 0.298 101 V C -2.049 174.241 176.094 0.327 0.000 1.028 101 V CA -2.334 60.200 62.300 0.390 0.000 0.860 101 V CB 2.024 34.128 31.823 0.467 0.000 0.991 101 V HN 0.252 nan 8.190 nan 0.000 0.427 102 P HA 0.104 nan 4.420 nan 0.000 0.268 102 P C -0.558 176.864 177.300 0.203 0.000 1.208 102 P CA 0.315 63.542 63.100 0.212 0.000 0.777 102 P CB 0.540 32.323 31.700 0.138 0.000 0.875 103 S N 1.886 117.703 115.700 0.195 0.000 2.561 103 S HA 0.528 4.998 4.470 -0.000 0.000 0.303 103 S C -2.480 172.203 174.600 0.138 0.000 1.110 103 S CA -1.568 56.733 58.200 0.168 0.000 1.034 103 S CB 0.171 63.477 63.200 0.177 0.000 1.010 103 S HN 0.261 nan 8.310 nan 0.000 0.482 104 P HA 0.123 nan 4.420 nan 0.000 0.269 104 P C -0.519 176.846 177.300 0.109 0.000 1.215 104 P CA -0.480 62.679 63.100 0.099 0.000 0.780 104 P CB 0.372 32.116 31.700 0.073 0.000 0.898 105 R N 2.805 123.377 120.500 0.119 0.000 2.480 105 R HA 0.105 4.445 4.340 -0.000 0.000 0.303 105 R C -1.863 174.495 176.300 0.096 0.000 0.985 105 R CA -0.926 55.252 56.100 0.130 0.000 1.051 105 R CB -0.521 29.859 30.300 0.133 0.000 0.935 105 R HN 0.365 nan 8.270 nan 0.000 0.410 106 P HA 0.019 nan 4.420 nan 0.000 0.271 106 P C -0.106 177.228 177.300 0.056 0.000 1.244 106 P CA -0.221 62.920 63.100 0.068 0.000 0.793 106 P CB 0.690 32.432 31.700 0.071 0.000 0.984 107 K N -0.475 119.947 120.400 0.037 0.000 2.078 107 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 107 K C 0.563 177.170 176.600 0.011 0.000 1.043 107 K CA 1.058 57.359 56.287 0.022 0.000 0.960 107 K CB 0.017 32.525 32.500 0.013 0.000 0.761 107 K HN 0.293 nan 8.250 nan 0.000 0.448 108 S N 0.930 116.635 115.700 0.009 0.000 2.680 108 S HA 0.108 4.578 4.470 -0.000 0.000 0.140 108 S C -0.838 173.764 174.600 0.003 0.000 1.357 108 S CA -0.533 57.664 58.200 -0.005 0.000 1.201 108 S CB 0.649 63.835 63.200 -0.023 0.000 1.547 108 S HN 0.150 nan 8.310 nan 0.000 0.411 109 T N 1.659 116.226 114.554 0.021 0.000 2.884 109 T HA 0.545 4.895 4.350 -0.000 0.000 0.277 109 T C 0.255 174.969 174.700 0.023 0.000 0.976 109 T CA 0.010 62.123 62.100 0.023 0.000 0.956 109 T CB 0.974 69.865 68.868 0.038 0.000 1.113 109 T HN 0.470 nan 8.240 nan 0.000 0.554 110 T N 2.054 116.617 114.554 0.015 0.000 2.928 110 T HA 0.372 4.722 4.350 -0.000 0.000 0.305 110 T C -0.361 174.363 174.700 0.041 0.000 1.035 110 T CA -0.299 61.808 62.100 0.011 0.000 1.145 110 T CB 0.325 69.185 68.868 -0.013 0.000 0.963 110 T HN 0.403 nan 8.240 nan 0.000 0.545 111 V N 4.638 124.583 119.914 0.051 0.000 2.628 111 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 111 V C -0.108 176.048 176.094 0.104 0.000 1.045 111 V CA -0.848 61.508 62.300 0.093 0.000 0.905 111 V CB 1.806 33.690 31.823 0.100 0.000 0.997 111 V HN 0.838 nan 8.190 nan 0.000 0.436 112 M N 4.002 123.696 119.600 0.157 0.000 2.259 112 M HA 0.580 5.060 4.480 -0.000 0.000 0.304 112 M C -1.367 175.189 176.300 0.428 0.000 1.019 112 M CA -0.633 54.792 55.300 0.208 0.000 0.922 112 M CB 2.348 34.963 32.600 0.024 0.000 1.600 112 M HN 0.363 nan 8.290 nan 0.000 0.433 113 V N 2.876 123.077 119.914 0.478 0.000 2.384 113 V HA 0.350 4.470 4.120 -0.000 0.000 0.287 113 V C -0.882 175.454 176.094 0.404 0.000 1.020 113 V CA -0.604 61.933 62.300 0.396 0.000 0.850 113 V CB 1.611 33.539 31.823 0.175 0.000 0.987 113 V HN 0.859 nan 8.190 nan 0.000 0.436 114 W N 6.999 128.329 121.300 0.050 0.000 2.338 114 W HA 0.609 5.269 4.660 -0.000 0.000 0.307 114 W C -1.259 175.113 176.519 -0.245 0.000 1.167 114 W CA -0.740 56.371 57.345 -0.389 0.000 1.208 114 W CB 1.222 30.507 29.460 -0.292 0.000 1.228 114 W HN 0.452 nan 8.180 nan 0.000 0.499 115 I N 9.489 129.367 120.570 -1.154 0.000 2.405 115 I HA 0.050 4.220 4.170 -0.000 0.000 0.280 115 I C -0.143 175.217 176.117 -1.262 0.000 1.027 115 I CA -1.090 59.646 61.300 -0.940 0.000 1.161 115 I CB 0.423 38.042 38.000 -0.635 0.000 1.300 115 I HN 0.289 nan 8.210 nan 0.000 0.463 116 Y N 4.573 124.418 120.300 -0.760 0.000 2.607 116 Y HA 0.568 5.118 4.550 -0.000 0.000 0.348 116 Y C 0.783 176.538 175.900 -0.241 0.000 1.261 116 Y CA -0.703 57.108 58.100 -0.481 0.000 1.480 116 Y CB -0.129 38.327 38.460 -0.007 0.000 1.358 116 Y HN 0.501 nan 8.280 nan 0.000 0.630 117 G N -0.823 108.020 108.800 0.072 0.000 2.702 117 G HA2 0.507 4.467 3.960 -0.000 0.000 0.254 117 G HA3 0.507 4.467 3.960 -0.000 0.000 0.254 117 G C 0.246 175.110 174.900 -0.060 0.000 1.380 117 G CA -0.952 44.104 45.100 -0.073 0.000 1.042 117 G HN 1.728 nan 8.290 nan 0.000 0.557 118 G N -2.774 105.840 108.800 -0.311 0.000 2.192 118 G HA2 0.407 4.367 3.960 -0.000 0.000 0.152 118 G HA3 0.407 4.367 3.960 -0.000 0.000 0.152 118 G C 1.078 175.494 174.900 -0.807 0.000 1.057 118 G CA 0.721 45.518 45.100 -0.506 0.000 0.748 118 G HN 2.318 nan 8.290 nan 0.000 0.488 119 G N -0.550 107.796 108.800 -0.757 0.000 2.180 119 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.263 119 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.263 119 G C 0.921 175.644 174.900 -0.296 0.000 0.989 119 G CA 0.929 45.445 45.100 -0.973 0.000 0.692 119 G HN 1.811 nan 8.290 nan 0.000 0.526 120 F N -3.336 116.541 119.950 -0.122 0.000 2.840 120 F HA -0.271 4.256 4.527 -0.000 0.000 0.310 120 F C 1.297 177.207 175.800 0.183 0.000 0.688 120 F CA 1.959 59.997 58.000 0.063 0.000 1.286 120 F CB -2.079 36.839 39.000 -0.136 0.000 1.612 120 F HN 0.971 nan 8.300 nan 0.000 0.335 121 Y N -1.051 119.329 120.300 0.135 0.000 2.563 121 Y HA 0.677 5.227 4.550 -0.000 0.000 0.250 121 Y C 0.415 176.413 175.900 0.163 0.000 1.126 121 Y CA 0.149 58.341 58.100 0.153 0.000 1.231 121 Y CB 0.062 38.527 38.460 0.008 0.000 1.288 121 Y HN 0.150 nan 8.280 nan 0.000 0.537 122 S N -0.894 114.617 115.700 -0.315 0.000 2.655 122 S HA 0.831 5.301 4.470 -0.000 0.000 0.266 122 S C -0.322 174.122 174.600 -0.260 0.000 1.149 122 S CA -0.463 57.584 58.200 -0.255 0.000 0.818 122 S CB 1.247 64.223 63.200 -0.374 0.000 1.130 122 S HN 1.426 nan 8.310 nan 0.000 0.476 123 G N -0.234 108.380 108.800 -0.310 0.000 2.453 123 G HA2 0.438 4.398 3.960 -0.000 0.000 0.665 123 G HA3 0.438 4.398 3.960 -0.000 0.000 0.665 123 G C -1.037 173.193 174.900 -1.117 0.000 1.411 123 G CA -0.288 44.465 45.100 -0.578 0.000 0.889 123 G HN 1.391 nan 8.290 nan 0.000 0.651 124 S N -0.824 114.232 115.700 -1.073 0.000 2.546 124 S HA 0.712 5.182 4.470 -0.000 0.000 0.274 124 S C 0.998 175.417 174.600 -0.302 0.000 1.121 124 S CA 0.060 57.817 58.200 -0.738 0.000 0.887 124 S CB 1.851 64.847 63.200 -0.339 0.000 1.094 124 S HN 1.895 nan 8.310 nan 0.000 0.474 125 S N -0.168 115.555 115.700 0.038 0.000 2.558 125 S HA -0.045 4.424 4.470 -0.000 0.000 0.217 125 S C 1.371 176.054 174.600 0.138 0.000 0.975 125 S CA 0.795 59.221 58.200 0.376 0.000 0.912 125 S CB -0.584 62.865 63.200 0.415 0.000 0.776 125 S HN 0.834 nan 8.310 nan 0.000 0.526 126 T N 0.052 114.492 114.554 -0.190 0.000 3.086 126 T HA 0.396 4.746 4.350 -0.000 0.000 0.250 126 T C 0.580 175.004 174.700 -0.460 0.000 1.074 126 T CA -0.526 61.171 62.100 -0.671 0.000 0.988 126 T CB -0.594 67.771 68.868 -0.837 0.000 0.988 126 T HN 0.312 nan 8.240 nan 0.000 0.530 127 L N 2.138 123.167 121.223 -0.323 0.000 2.516 127 L HA 0.094 4.434 4.340 -0.000 0.000 0.288 127 L C 1.366 178.005 176.870 -0.384 0.000 1.246 127 L CA -0.351 54.220 54.840 -0.447 0.000 0.844 127 L CB 0.306 41.892 42.059 -0.788 0.000 1.106 127 L HN 0.098 nan 8.230 nan 0.000 0.509 128 D N 1.075 121.270 120.400 -0.341 0.000 2.178 128 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 128 D C 1.922 178.034 176.300 -0.314 0.000 0.980 128 D CA 0.960 54.823 54.000 -0.228 0.000 0.842 128 D CB 0.141 40.819 40.800 -0.202 0.000 0.948 128 D HN 0.398 nan 8.370 nan 0.000 0.472 129 V N 0.353 119.937 119.914 -0.551 0.000 3.141 129 V HA -0.192 3.928 4.120 -0.000 0.000 0.265 129 V C 0.680 176.378 176.094 -0.660 0.000 1.126 129 V CA 1.116 63.062 62.300 -0.589 0.000 1.141 129 V CB -0.521 30.845 31.823 -0.761 0.000 0.743 129 V HN 0.133 nan 8.190 nan 0.000 0.492 130 Y N -0.791 119.100 120.300 -0.681 0.000 2.507 130 Y HA 0.406 4.956 4.550 -0.000 0.000 0.254 130 Y C 1.044 176.609 175.900 -0.559 0.000 1.171 130 Y CA -1.470 55.987 58.100 -1.073 0.000 1.238 130 Y CB -0.956 37.118 38.460 -0.642 0.000 1.148 130 Y HN 0.222 nan 8.280 nan 0.000 0.525 131 N N 1.710 120.318 118.700 -0.153 0.000 2.386 131 N HA -0.053 4.687 4.740 -0.000 0.000 0.273 131 N C 1.298 176.601 175.510 -0.345 0.000 1.331 131 N CA 0.745 53.741 53.050 -0.090 0.000 0.891 131 N CB 0.953 39.464 38.487 0.039 0.000 1.139 131 N HN 0.472 nan 8.380 nan 0.000 0.487 132 G N 3.329 111.393 108.800 -1.227 0.000 2.920 132 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.208 132 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.208 132 G C 1.413 175.630 174.900 -1.138 0.000 1.159 132 G CA 0.316 44.695 45.100 -1.201 0.000 0.784 132 G HN 0.762 nan 8.290 nan 0.000 0.535 133 K N -0.351 119.348 120.400 -1.169 0.000 2.097 133 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 133 K C 1.753 178.143 176.600 -0.349 0.000 1.049 133 K CA 1.121 57.040 56.287 -0.614 0.000 0.933 133 K CB -0.567 31.659 32.500 -0.458 0.000 0.717 133 K HN 0.370 nan 8.250 nan 0.000 0.442 134 Y N 1.125 121.340 120.300 -0.142 0.000 2.145 134 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 134 Y C 2.451 178.343 175.900 -0.014 0.000 1.145 134 Y CA 0.746 58.813 58.100 -0.054 0.000 1.148 134 Y CB -0.384 38.020 38.460 -0.093 0.000 0.981 134 Y HN 0.047 nan 8.280 nan 0.000 0.507 135 L N 0.465 121.715 121.223 0.045 0.000 2.005 135 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 135 L C 2.405 179.282 176.870 0.010 0.000 1.072 135 L CA 1.962 56.778 54.840 -0.039 0.000 0.744 135 L CB -1.264 40.665 42.059 -0.217 0.000 0.895 135 L HN 0.135 nan 8.230 nan 0.000 0.433 136 A N -1.352 121.482 122.820 0.022 0.000 1.940 136 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 136 A C 2.335 179.998 177.584 0.132 0.000 1.176 136 A CA 2.076 54.177 52.037 0.106 0.000 0.631 136 A CB -1.238 17.884 19.000 0.205 0.000 0.814 136 A HN 0.689 nan 8.150 nan 0.000 0.446 137 Y N 0.777 121.096 120.300 0.031 0.000 2.184 137 Y HA -0.118 4.431 4.550 -0.000 0.000 0.290 137 Y C 2.578 178.502 175.900 0.039 0.000 1.129 137 Y CA 2.235 60.360 58.100 0.041 0.000 1.144 137 Y CB -0.477 37.993 38.460 0.016 0.000 0.995 137 Y HN 0.275 nan 8.280 nan 0.000 0.513 138 T N 0.273 114.861 114.554 0.057 0.000 2.857 138 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 138 T C 1.203 175.865 174.700 -0.064 0.000 1.048 138 T CA 1.546 63.626 62.100 -0.035 0.000 1.139 138 T CB -0.069 68.851 68.868 0.087 0.000 0.874 138 T HN 0.302 nan 8.240 nan 0.000 0.455 139 E N 0.682 120.872 120.200 -0.015 0.000 2.481 139 E HA 0.115 4.465 4.350 -0.000 0.000 0.198 139 E C -0.046 176.553 176.600 -0.003 0.000 1.027 139 E CA 0.001 56.409 56.400 0.015 0.000 0.900 139 E CB 0.116 29.837 29.700 0.034 0.000 0.993 139 E HN 0.578 nan 8.360 nan 0.000 0.482 140 E N 0.269 120.450 120.200 -0.031 0.000 2.230 140 E HA -0.171 4.179 4.350 -0.000 0.000 0.206 140 E C -0.144 176.476 176.600 0.034 0.000 1.309 140 E CA 0.489 56.883 56.400 -0.009 0.000 0.697 140 E CB -1.817 27.867 29.700 -0.027 0.000 1.146 140 E HN 0.134 nan 8.360 nan 0.000 0.363 141 V N -3.574 116.376 119.914 0.060 0.000 3.074 141 V HA 0.669 4.789 4.120 -0.000 0.000 0.314 141 V C 0.256 176.429 176.094 0.133 0.000 1.117 141 V CA -1.115 61.230 62.300 0.075 0.000 1.014 141 V CB 2.368 34.219 31.823 0.047 0.000 1.057 141 V HN -0.029 nan 8.190 nan 0.000 0.438 142 V N 3.684 123.685 119.914 0.144 0.000 2.389 142 V HA 0.361 4.481 4.120 -0.000 0.000 0.264 142 V C -0.108 176.122 176.094 0.228 0.000 1.049 142 V CA -0.092 62.327 62.300 0.198 0.000 0.932 142 V CB 0.803 32.727 31.823 0.169 0.000 1.011 142 V HN 0.751 nan 8.190 nan 0.000 0.475 143 L N 7.716 129.132 121.223 0.321 0.000 2.272 143 L HA 0.611 4.951 4.340 -0.000 0.000 0.289 143 L C -0.283 176.896 176.870 0.514 0.000 1.032 143 L CA 0.246 55.324 54.840 0.396 0.000 0.810 143 L CB 1.573 43.849 42.059 0.361 0.000 1.205 143 L HN 0.401 nan 8.230 nan 0.000 0.422 144 V N 3.702 123.877 119.914 0.435 0.000 2.581 144 V HA 0.587 4.707 4.120 -0.000 0.000 0.303 144 V C -0.053 176.316 176.094 0.459 0.000 1.041 144 V CA -0.561 61.966 62.300 0.378 0.000 0.907 144 V CB 1.743 33.702 31.823 0.228 0.000 0.994 144 V HN 0.809 nan 8.190 nan 0.000 0.442 145 S N 4.770 120.745 115.700 0.459 0.000 2.640 145 S HA 0.702 5.172 4.470 -0.000 0.000 0.320 145 S C -0.695 174.090 174.600 0.308 0.000 1.097 145 S CA -0.664 57.832 58.200 0.492 0.000 1.092 145 S CB 0.423 64.045 63.200 0.703 0.000 0.988 145 S HN 0.612 nan 8.310 nan 0.000 0.470 146 L N 3.368 124.715 121.223 0.207 0.000 2.397 146 L HA 1.000 5.340 4.340 -0.000 0.000 0.266 146 L C 0.050 177.065 176.870 0.242 0.000 1.040 146 L CA -0.608 54.314 54.840 0.137 0.000 0.800 146 L CB 0.724 42.745 42.059 -0.063 0.000 1.324 146 L HN 0.584 nan 8.230 nan 0.000 0.469 147 S N -1.392 114.511 115.700 0.338 0.000 2.651 147 S HA 0.910 5.380 4.470 -0.000 0.000 0.279 147 S C -1.287 173.593 174.600 0.467 0.000 1.148 147 S CA -0.474 57.976 58.200 0.416 0.000 0.837 147 S CB 1.564 65.031 63.200 0.445 0.000 1.138 147 S HN 1.302 nan 8.310 nan 0.000 0.478 148 Y N -1.875 118.563 120.300 0.229 0.000 2.604 148 Y HA 0.656 5.206 4.550 -0.000 0.000 0.331 148 Y C -0.892 175.150 175.900 0.236 0.000 1.158 148 Y CA -1.374 56.845 58.100 0.199 0.000 1.056 148 Y CB 0.620 39.146 38.460 0.110 0.000 1.330 148 Y HN 0.783 nan 8.280 nan 0.000 0.457 149 R N 1.995 122.632 120.500 0.227 0.000 2.489 149 R HA 0.506 4.846 4.340 -0.000 0.000 0.287 149 R C -0.105 176.353 176.300 0.264 0.000 1.053 149 R CA -0.098 56.093 56.100 0.151 0.000 1.036 149 R CB 0.771 31.132 30.300 0.102 0.000 0.966 149 R HN 0.688 nan 8.270 nan 0.000 0.432 150 V N 0.101 120.187 119.914 0.288 0.000 3.166 150 V HA 0.884 5.004 4.120 -0.000 0.000 0.317 150 V C 0.789 177.200 176.094 0.528 0.000 1.136 150 V CA -0.135 62.453 62.300 0.481 0.000 1.035 150 V CB 1.172 33.174 31.823 0.298 0.000 1.110 150 V HN 0.971 nan 8.190 nan 0.000 0.450 151 G N 0.419 109.572 108.800 0.589 0.000 2.598 151 G HA2 0.017 3.977 3.960 -0.000 0.000 0.269 151 G HA3 0.017 3.977 3.960 -0.000 0.000 0.269 151 G C 1.024 176.113 174.900 0.315 0.000 1.289 151 G CA 1.014 46.414 45.100 0.499 0.000 0.926 151 G HN 2.219 nan 8.290 nan 0.000 0.567 152 A N -1.316 121.402 122.820 -0.171 0.000 1.917 152 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 152 A C 2.262 179.684 177.584 -0.270 0.000 1.182 152 A CA 2.743 54.278 52.037 -0.836 0.000 0.633 152 A CB -0.574 17.749 19.000 -1.129 0.000 0.819 152 A HN 1.032 nan 8.150 nan 0.000 0.448 153 F N -0.024 119.985 119.950 0.098 0.000 2.161 153 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 153 F C 2.453 178.276 175.800 0.039 0.000 1.089 153 F CA 1.305 59.353 58.000 0.080 0.000 1.282 153 F CB -0.662 38.331 39.000 -0.012 0.000 1.010 153 F HN 0.300 nan 8.300 nan 0.000 0.485 154 G N -2.760 106.125 108.800 0.142 0.000 3.044 154 G HA2 0.105 4.065 3.960 -0.000 0.000 0.223 154 G HA3 0.105 4.065 3.960 -0.000 0.000 0.223 154 G C 0.609 174.993 174.900 -0.859 0.000 1.123 154 G CA 0.065 45.000 45.100 -0.275 0.000 0.765 154 G HN 0.334 nan 8.290 nan 0.000 0.546 155 F N -0.558 119.466 119.950 0.122 0.000 2.936 155 F HA 0.402 4.929 4.527 -0.000 0.000 0.334 155 F C 0.224 176.060 175.800 0.061 0.000 1.170 155 F CA -1.019 57.033 58.000 0.088 0.000 1.104 155 F CB 0.397 39.471 39.000 0.122 0.000 1.216 155 F HN -0.082 nan 8.300 nan 0.000 0.518 156 L N 2.325 123.513 121.223 -0.059 0.000 2.513 156 L HA 0.512 4.852 4.340 -0.000 0.000 0.272 156 L C 0.111 176.934 176.870 -0.077 0.000 1.187 156 L CA 0.262 54.961 54.840 -0.235 0.000 0.895 156 L CB 0.295 41.898 42.059 -0.761 0.000 1.147 156 L HN 0.162 nan 8.230 nan 0.000 0.483 157 A N 6.756 129.591 122.820 0.026 0.000 2.353 157 A HA 0.689 5.009 4.320 -0.000 0.000 0.299 157 A C -0.940 176.659 177.584 0.025 0.000 1.089 157 A CA -0.499 51.560 52.037 0.036 0.000 0.736 157 A CB 0.866 19.921 19.000 0.092 0.000 1.195 157 A HN 0.708 nan 8.150 nan 0.000 0.447 158 L N 3.441 124.673 121.223 0.016 0.000 2.495 158 L HA 0.233 4.573 4.340 -0.000 0.000 0.248 158 L C -0.170 176.740 176.870 0.066 0.000 1.229 158 L CA -0.772 54.083 54.840 0.024 0.000 0.942 158 L CB 0.603 42.645 42.059 -0.029 0.000 1.242 158 L HN 0.920 nan 8.230 nan 0.000 0.484 159 H N 1.685 120.757 119.070 0.004 0.000 3.140 159 H HA 0.214 4.770 4.556 -0.000 0.000 0.316 159 H C 1.092 176.427 175.328 0.011 0.000 0.986 159 H CA 1.889 57.946 56.048 0.015 0.000 1.397 159 H CB 0.731 30.505 29.762 0.019 0.000 1.377 159 H HN 0.718 nan 8.280 nan 0.000 0.585 160 G N 2.538 111.104 108.800 -0.390 0.000 2.659 160 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.202 160 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.202 160 G C 0.534 175.352 174.900 -0.136 0.000 1.186 160 G CA 0.117 45.060 45.100 -0.263 0.000 0.783 160 G HN 0.895 nan 8.290 nan 0.000 0.521 161 S N 0.413 116.068 115.700 -0.075 0.000 2.584 161 S HA 0.505 4.975 4.470 -0.000 0.000 0.270 161 S C 0.988 175.572 174.600 -0.026 0.000 1.346 161 S CA 0.721 58.901 58.200 -0.035 0.000 1.018 161 S CB 1.140 64.331 63.200 -0.015 0.000 0.899 161 S HN 0.339 nan 8.310 nan 0.000 0.542 162 Q N 1.223 121.020 119.800 -0.005 0.000 2.217 162 Q HA 0.231 4.571 4.340 -0.000 0.000 0.217 162 Q C 0.768 176.786 176.000 0.029 0.000 0.844 162 Q CA -0.007 55.801 55.803 0.009 0.000 0.957 162 Q CB 0.522 29.264 28.738 0.007 0.000 1.127 162 Q HN 0.689 nan 8.270 nan 0.000 0.503 163 E N 0.444 120.666 120.200 0.036 0.000 2.216 163 E HA 0.150 4.499 4.350 -0.000 0.000 0.192 163 E C 0.190 176.844 176.600 0.091 0.000 0.973 163 E CA 0.459 56.898 56.400 0.065 0.000 0.851 163 E CB 0.734 30.477 29.700 0.071 0.000 0.804 163 E HN 0.098 nan 8.360 nan 0.000 0.477 164 A N 2.024 124.873 122.820 0.048 0.000 3.370 164 A HA 0.289 4.609 4.320 -0.000 0.000 0.295 164 A C -2.063 175.523 177.584 0.004 0.000 1.030 164 A CA -0.892 51.158 52.037 0.020 0.000 0.883 164 A CB 0.642 19.576 19.000 -0.111 0.000 1.191 164 A HN -0.111 nan 8.150 nan 0.000 0.507 165 P HA 0.150 nan 4.420 nan 0.000 0.225 165 P C 0.883 178.232 177.300 0.081 0.000 1.156 165 P CA 1.722 64.855 63.100 0.056 0.000 0.787 165 P CB 0.274 32.008 31.700 0.056 0.000 0.802 166 G N 0.564 109.393 108.800 0.048 0.000 2.663 166 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 166 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 166 G C -0.117 174.797 174.900 0.024 0.000 1.288 166 G CA -0.281 44.852 45.100 0.056 0.000 0.836 166 G HN 0.113 nan 8.290 nan 0.000 0.584 167 N N -2.329 116.389 118.700 0.030 0.000 2.778 167 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 167 N C 1.993 177.372 175.510 -0.218 0.000 1.069 167 N CA 2.484 55.493 53.050 -0.068 0.000 0.831 167 N CB -1.651 36.736 38.487 -0.167 0.000 1.142 167 N HN 1.886 nan 8.380 nan 0.000 0.573 168 V N -2.646 117.127 119.914 -0.236 0.000 2.490 168 V HA -0.059 4.061 4.120 -0.000 0.000 0.250 168 V C 2.369 178.330 176.094 -0.222 0.000 1.061 168 V CA 2.358 64.560 62.300 -0.163 0.000 1.064 168 V CB -1.040 30.729 31.823 -0.090 0.000 0.670 168 V HN 0.283 nan 8.190 nan 0.000 0.461 169 G N 0.347 108.796 108.800 -0.585 0.000 2.422 169 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 169 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 169 G C 1.573 176.465 174.900 -0.013 0.000 1.146 169 G CA 1.121 46.019 45.100 -0.336 0.000 0.769 169 G HN 0.529 nan 8.290 nan 0.000 0.547 170 L N -0.139 121.043 121.223 -0.068 0.000 2.141 170 L HA 0.080 4.420 4.340 -0.000 0.000 0.209 170 L C 2.782 179.677 176.870 0.043 0.000 1.094 170 L CA 0.344 55.118 54.840 -0.110 0.000 0.763 170 L CB -0.201 41.500 42.059 -0.598 0.000 0.908 170 L HN 0.194 nan 8.230 nan 0.000 0.437 171 L N -0.780 120.463 121.223 0.034 0.000 2.217 171 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 171 L C 2.069 179.024 176.870 0.142 0.000 1.107 171 L CA 0.687 55.614 54.840 0.145 0.000 0.783 171 L CB -0.489 41.636 42.059 0.109 0.000 0.919 171 L HN 0.270 nan 8.230 nan 0.000 0.442 172 D N -0.059 120.424 120.400 0.139 0.000 2.117 172 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 172 D C 2.244 178.626 176.300 0.136 0.000 0.982 172 D CA 1.111 55.257 54.000 0.243 0.000 0.828 172 D CB -0.101 40.884 40.800 0.309 0.000 0.967 172 D HN 0.396 nan 8.370 nan 0.000 0.464 173 Q N 0.257 120.096 119.800 0.064 0.000 2.084 173 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 173 Q C 2.292 178.208 176.000 -0.140 0.000 0.978 173 Q CA 1.012 56.767 55.803 -0.079 0.000 0.844 173 Q CB -0.068 28.649 28.738 -0.035 0.000 0.898 173 Q HN 0.190 nan 8.270 nan 0.000 0.426 174 R N 0.618 121.127 120.500 0.015 0.000 2.081 174 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 174 R C 2.199 178.478 176.300 -0.034 0.000 1.131 174 R CA 1.534 57.630 56.100 -0.007 0.000 0.960 174 R CB -0.160 30.232 30.300 0.154 0.000 0.856 174 R HN 0.259 nan 8.270 nan 0.000 0.436 175 M N -0.026 119.575 119.600 0.002 0.000 2.229 175 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 175 M C 2.013 178.242 176.300 -0.119 0.000 1.063 175 M CA 1.889 57.214 55.300 0.042 0.000 1.114 175 M CB 0.044 32.767 32.600 0.205 0.000 1.387 175 M HN 0.292 nan 8.290 nan 0.000 0.420 176 A N 0.098 122.590 122.820 -0.548 0.000 1.968 176 A HA -0.055 4.264 4.320 -0.000 0.000 0.217 176 A C 1.982 179.443 177.584 -0.205 0.000 1.169 176 A CA 1.185 52.742 52.037 -0.801 0.000 0.638 176 A CB -0.846 17.440 19.000 -1.191 0.000 0.812 176 A HN 0.570 nan 8.150 nan 0.000 0.446 177 L N -1.127 120.001 121.223 -0.158 0.000 2.109 177 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 177 L C 2.791 179.696 176.870 0.059 0.000 1.086 177 L CA 1.531 56.344 54.840 -0.045 0.000 0.760 177 L CB -0.429 41.563 42.059 -0.112 0.000 0.910 177 L HN 0.448 nan 8.230 nan 0.000 0.437 178 Q N -0.283 119.548 119.800 0.051 0.000 2.124 178 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 178 Q C 1.983 178.093 176.000 0.183 0.000 0.977 178 Q CA 1.847 57.706 55.803 0.093 0.000 0.850 178 Q CB -0.434 28.350 28.738 0.077 0.000 0.901 178 Q HN 0.485 nan 8.270 nan 0.000 0.429 179 W N -0.838 120.476 121.300 0.024 0.000 2.381 179 W HA -0.139 4.521 4.660 -0.000 0.000 0.301 179 W C 1.813 178.369 176.519 0.062 0.000 1.205 179 W CA 1.594 58.976 57.345 0.061 0.000 1.285 179 W CB -0.168 29.323 29.460 0.052 0.000 1.133 179 W HN -0.010 nan 8.180 nan 0.000 0.521 180 V N 0.192 120.332 119.914 0.377 0.000 2.343 180 V HA -0.375 3.745 4.120 -0.000 0.000 0.247 180 V C 2.532 178.656 176.094 0.049 0.000 1.051 180 V CA 2.348 64.791 62.300 0.239 0.000 1.036 180 V CB -1.276 30.673 31.823 0.210 0.000 0.654 180 V HN 0.370 nan 8.190 nan 0.000 0.451 181 H N 0.179 119.238 119.070 -0.018 0.000 2.353 181 H HA -0.171 4.385 4.556 -0.000 0.000 0.300 181 H C 1.859 177.101 175.328 -0.143 0.000 1.090 181 H CA 1.994 58.005 56.048 -0.062 0.000 1.327 181 H CB 0.105 29.849 29.762 -0.030 0.000 1.383 181 H HN 0.421 nan 8.280 nan 0.000 0.508 182 D N -0.369 119.943 120.400 -0.147 0.000 2.289 182 D HA -0.035 4.605 4.640 -0.000 0.000 0.207 182 D C 1.200 177.271 176.300 -0.381 0.000 0.966 182 D CA 0.493 54.342 54.000 -0.252 0.000 0.868 182 D CB 0.088 40.810 40.800 -0.130 0.000 0.943 182 D HN 0.476 nan 8.370 nan 0.000 0.514 183 N N -0.194 118.196 118.700 -0.516 0.000 2.211 183 N HA 0.023 4.763 4.740 -0.000 0.000 0.216 183 N C 1.547 176.894 175.510 -0.273 0.000 1.240 183 N CA -0.172 52.598 53.050 -0.467 0.000 0.895 183 N CB 1.011 38.926 38.487 -0.953 0.000 1.102 183 N HN 0.008 nan 8.380 nan 0.000 0.498 184 I N 3.291 123.734 120.570 -0.212 0.000 2.423 184 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 184 I C 2.537 178.643 176.117 -0.018 0.000 1.151 184 I CA 1.470 62.792 61.300 0.037 0.000 1.421 184 I CB -0.222 37.793 38.000 0.025 0.000 1.079 184 I HN 0.195 nan 8.210 nan 0.000 0.431 185 Q N -0.830 118.770 119.800 -0.334 0.000 2.234 185 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 185 Q C 1.722 177.525 176.000 -0.327 0.000 0.980 185 Q CA 1.639 57.216 55.803 -0.377 0.000 0.869 185 Q CB -0.831 27.572 28.738 -0.558 0.000 0.912 185 Q HN 0.436 nan 8.270 nan 0.000 0.436 186 F N -0.469 119.426 119.950 -0.093 0.000 2.748 186 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 186 F C 0.709 176.241 175.800 -0.446 0.000 1.154 186 F CA 0.108 57.941 58.000 -0.278 0.000 1.446 186 F CB -0.028 38.726 39.000 -0.410 0.000 1.112 186 F HN 0.004 nan 8.300 nan 0.000 0.584 187 F N -0.813 119.137 119.950 -0.000 0.000 2.661 187 F HA 0.457 4.984 4.527 -0.000 0.000 0.306 187 F C 1.696 177.503 175.800 0.012 0.000 1.094 187 F CA 0.181 58.159 58.000 -0.037 0.000 1.254 187 F CB 0.278 39.219 39.000 -0.098 0.000 1.040 187 F HN 0.007 nan 8.300 nan 0.000 0.562 188 G N 0.179 109.053 108.800 0.123 0.000 2.176 188 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.232 188 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.232 188 G C 0.527 175.471 174.900 0.073 0.000 0.986 188 G CA -0.303 44.850 45.100 0.089 0.000 0.643 188 G HN 0.719 nan 8.290 nan 0.000 0.522 189 G N -0.597 108.247 108.800 0.073 0.000 2.461 189 G HA2 0.538 4.498 3.960 -0.000 0.000 0.329 189 G HA3 0.538 4.498 3.960 -0.000 0.000 0.329 189 G C -1.040 173.855 174.900 -0.009 0.000 1.170 189 G CA 0.210 45.338 45.100 0.047 0.000 0.935 189 G HN 0.307 nan 8.290 nan 0.000 0.492 190 D N 0.543 120.937 120.400 -0.010 0.000 2.359 190 D HA 0.308 4.948 4.640 -0.000 0.000 0.230 190 D C -1.073 175.206 176.300 -0.036 0.000 1.118 190 D CA -2.364 51.613 54.000 -0.039 0.000 0.844 190 D CB 1.872 42.654 40.800 -0.030 0.000 1.059 190 D HN 0.042 nan 8.370 nan 0.000 0.493 191 P HA -0.116 nan 4.420 nan 0.000 0.228 191 P C 0.397 177.695 177.300 -0.004 0.000 1.151 191 P CA 0.752 63.815 63.100 -0.061 0.000 0.770 191 P CB 0.314 31.890 31.700 -0.207 0.000 0.786 192 K N -0.780 119.605 120.400 -0.025 0.000 2.426 192 K HA 0.098 4.418 4.320 -0.000 0.000 0.193 192 K C 0.277 176.873 176.600 -0.006 0.000 1.028 192 K CA 0.641 56.923 56.287 -0.009 0.000 1.047 192 K CB 0.127 32.609 32.500 -0.029 0.000 0.821 192 K HN 0.035 nan 8.250 nan 0.000 0.513 193 T N 1.249 115.802 114.554 -0.002 0.000 3.466 193 T HA 0.161 4.511 4.350 -0.000 0.000 0.297 193 T C -1.034 173.679 174.700 0.023 0.000 1.640 193 T CA -0.367 61.729 62.100 -0.006 0.000 1.631 193 T CB 0.804 69.655 68.868 -0.027 0.000 0.928 193 T HN -0.114 nan 8.240 nan 0.000 0.688 194 V N 2.034 121.989 119.914 0.067 0.000 2.398 194 V HA 0.653 4.773 4.120 -0.000 0.000 0.286 194 V C -0.407 175.779 176.094 0.154 0.000 1.026 194 V CA -0.023 62.344 62.300 0.112 0.000 0.868 194 V CB 1.642 33.554 31.823 0.149 0.000 0.982 194 V HN 0.569 nan 8.190 nan 0.000 0.443 195 T N 8.512 123.141 114.554 0.126 0.000 2.771 195 T HA 0.548 4.898 4.350 -0.000 0.000 0.281 195 T C -0.165 174.649 174.700 0.191 0.000 0.982 195 T CA -0.130 62.056 62.100 0.144 0.000 0.978 195 T CB 0.776 69.677 68.868 0.056 0.000 0.930 195 T HN 0.755 nan 8.240 nan 0.000 0.447 196 I N 1.878 122.532 120.570 0.140 0.000 2.336 196 I HA 0.825 4.995 4.170 -0.000 0.000 0.292 196 I C -0.900 175.369 176.117 0.254 0.000 0.991 196 I CA -1.032 60.327 61.300 0.098 0.000 1.227 196 I CB 0.803 38.623 38.000 -0.301 0.000 1.366 196 I HN 0.444 nan 8.210 nan 0.000 0.466 197 F N 3.436 123.399 119.950 0.022 0.000 2.588 197 F HA 1.019 5.546 4.527 -0.000 0.000 0.310 197 F C -0.347 175.386 175.800 -0.110 0.000 1.082 197 F CA -1.551 56.492 58.000 0.073 0.000 0.929 197 F CB 1.377 40.553 39.000 0.293 0.000 1.254 197 F HN 0.779 nan 8.300 nan 0.000 0.455 198 G N 1.096 109.759 108.800 -0.229 0.000 2.677 198 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 198 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 198 G C -2.459 172.254 174.900 -0.313 0.000 1.435 198 G CA -0.796 43.841 45.100 -0.771 0.000 0.826 198 G HN 0.842 nan 8.290 nan 0.000 0.491 199 E N 0.370 120.354 120.200 -0.359 0.000 2.227 199 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 199 E C 0.749 177.288 176.600 -0.101 0.000 0.907 199 E CA 0.250 56.627 56.400 -0.037 0.000 0.786 199 E CB 2.073 31.876 29.700 0.171 0.000 1.191 199 E HN 0.736 nan 8.360 nan 0.000 0.411 200 S N 2.718 118.419 115.700 0.001 0.000 4.139 200 S HA -0.401 4.068 4.470 -0.000 0.000 0.603 200 S C 1.481 176.153 174.600 0.120 0.000 1.897 200 S CA 2.244 60.516 58.200 0.119 0.000 4.241 200 S CB -1.603 61.604 63.200 0.011 0.000 0.221 200 S HN 0.920 nan 8.310 nan 0.000 0.488 201 A N 1.032 123.800 122.820 -0.087 0.000 1.972 201 A HA 0.161 4.481 4.320 -0.000 0.000 0.219 201 A C 2.466 179.789 177.584 -0.435 0.000 1.169 201 A CA 2.406 54.196 52.037 -0.411 0.000 0.635 201 A CB -1.518 16.920 19.000 -0.937 0.000 0.810 201 A HN 1.538 nan 8.150 nan 0.000 0.446 202 G N -0.635 107.965 108.800 -0.333 0.000 2.408 202 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 202 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 202 G C 1.476 176.195 174.900 -0.301 0.000 1.150 202 G CA 1.178 46.037 45.100 -0.402 0.000 0.776 202 G HN 0.664 nan 8.290 nan 0.000 0.542 203 G N 1.085 109.771 108.800 -0.190 0.000 2.402 203 G HA2 0.079 4.039 3.960 -0.000 0.000 0.216 203 G HA3 0.079 4.039 3.960 -0.000 0.000 0.216 203 G C 2.058 176.869 174.900 -0.148 0.000 1.162 203 G CA 1.464 46.489 45.100 -0.124 0.000 0.777 203 G HN 0.595 nan 8.290 nan 0.000 0.539 204 A N 0.913 123.673 122.820 -0.100 0.000 1.908 204 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 204 A C 2.706 180.237 177.584 -0.089 0.000 1.181 204 A CA 2.326 54.284 52.037 -0.131 0.000 0.627 204 A CB -0.752 18.216 19.000 -0.053 0.000 0.818 204 A HN 0.312 nan 8.150 nan 0.000 0.445 205 S N -0.399 115.273 115.700 -0.047 0.000 2.359 205 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 205 S C 1.914 176.443 174.600 -0.117 0.000 1.039 205 S CA 1.606 59.755 58.200 -0.085 0.000 1.042 205 S CB -0.670 62.435 63.200 -0.158 0.000 0.915 205 S HN 0.358 nan 8.310 nan 0.000 0.439 206 V N 1.624 121.477 119.914 -0.103 0.000 2.324 206 V HA -0.202 3.917 4.120 -0.000 0.000 0.250 206 V C 2.596 178.646 176.094 -0.073 0.000 1.060 206 V CA 2.017 64.266 62.300 -0.084 0.000 1.042 206 V CB -1.509 30.233 31.823 -0.134 0.000 0.650 206 V HN 0.620 nan 8.190 nan 0.000 0.450 207 G N -0.960 107.744 108.800 -0.159 0.000 2.432 207 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 207 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 207 G C 1.574 176.464 174.900 -0.017 0.000 1.135 207 G CA 0.913 45.885 45.100 -0.214 0.000 0.767 207 G HN 0.469 nan 8.290 nan 0.000 0.550 208 M N -0.216 119.387 119.600 0.005 0.000 2.254 208 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 208 M C 2.225 178.632 176.300 0.178 0.000 1.066 208 M CA 0.789 56.215 55.300 0.209 0.000 1.123 208 M CB -0.243 32.495 32.600 0.228 0.000 1.388 208 M HN 0.174 nan 8.290 nan 0.000 0.425 209 H N 0.069 119.261 119.070 0.203 0.000 2.436 209 H HA 0.072 4.628 4.556 -0.000 0.000 0.294 209 H C 2.118 177.646 175.328 0.332 0.000 1.048 209 H CA 1.201 57.366 56.048 0.194 0.000 1.353 209 H CB -0.114 29.661 29.762 0.022 0.000 1.414 209 H HN 0.405 nan 8.280 nan 0.000 0.536 210 I N 0.534 121.380 120.570 0.460 0.000 2.286 210 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 210 I C 2.201 178.564 176.117 0.410 0.000 1.115 210 I CA 0.899 62.516 61.300 0.528 0.000 1.392 210 I CB -0.087 38.165 38.000 0.420 0.000 1.065 210 I HN 0.127 nan 8.210 nan 0.000 0.418 211 L N -0.535 120.896 121.223 0.345 0.000 2.068 211 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 211 L C 1.567 178.552 176.870 0.192 0.000 1.076 211 L CA 0.315 55.359 54.840 0.339 0.000 0.753 211 L CB -0.344 41.949 42.059 0.390 0.000 0.910 211 L HN 0.074 nan 8.230 nan 0.000 0.439 212 S N 0.199 115.920 115.700 0.035 0.000 2.498 212 S HA 0.072 4.542 4.470 -0.000 0.000 0.281 212 S C -1.511 172.965 174.600 -0.206 0.000 1.265 212 S CA -1.262 56.756 58.200 -0.304 0.000 1.071 212 S CB 0.892 63.447 63.200 -1.075 0.000 0.894 212 S HN -0.076 nan 8.310 nan 0.000 0.491 213 P HA -0.044 nan 4.420 nan 0.000 0.216 213 P C 1.376 178.587 177.300 -0.148 0.000 1.150 213 P CA 1.095 64.120 63.100 -0.124 0.000 0.843 213 P CB -0.082 31.553 31.700 -0.108 0.000 0.787 214 G N -1.585 107.075 108.800 -0.235 0.000 2.679 214 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.212 214 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.212 214 G C 1.292 176.117 174.900 -0.125 0.000 1.137 214 G CA 0.516 45.502 45.100 -0.191 0.000 0.787 214 G HN 0.232 nan 8.290 nan 0.000 0.534 215 S N -0.513 115.139 115.700 -0.080 0.000 2.539 215 S HA 0.125 4.595 4.470 -0.000 0.000 0.226 215 S C 2.142 176.835 174.600 0.155 0.000 1.054 215 S CA -0.432 57.827 58.200 0.098 0.000 0.910 215 S CB 0.209 63.610 63.200 0.335 0.000 0.818 215 S HN 0.323 nan 8.310 nan 0.000 0.490 216 R N 2.140 122.672 120.500 0.052 0.000 2.159 216 R HA -0.156 4.184 4.340 -0.000 0.000 0.252 216 R C 0.761 176.867 176.300 -0.323 0.000 1.144 216 R CA 1.874 57.893 56.100 -0.135 0.000 0.961 216 R CB -0.526 29.717 30.300 -0.095 0.000 0.877 216 R HN 0.373 nan 8.270 nan 0.000 0.444 217 D N 0.313 120.597 120.400 -0.194 0.000 2.349 217 D HA -0.015 4.625 4.640 -0.000 0.000 0.224 217 D C 1.205 177.393 176.300 -0.188 0.000 1.029 217 D CA 0.603 54.482 54.000 -0.201 0.000 0.879 217 D CB 0.203 40.907 40.800 -0.160 0.000 0.906 217 D HN 0.297 nan 8.370 nan 0.000 0.528 218 L N 0.088 121.249 121.223 -0.104 0.000 2.611 218 L HA 0.166 4.506 4.340 -0.000 0.000 0.229 218 L C -0.106 176.893 176.870 0.215 0.000 1.137 218 L CA -0.034 54.809 54.840 0.006 0.000 0.901 218 L CB -0.208 41.870 42.059 0.031 0.000 1.098 218 L HN -0.068 nan 8.230 nan 0.000 0.456 219 F N -4.416 115.524 119.950 -0.016 0.000 2.719 219 F HA 0.523 5.050 4.527 -0.000 0.000 0.309 219 F C 0.286 176.098 175.800 0.021 0.000 1.138 219 F CA -1.336 56.671 58.000 0.012 0.000 0.943 219 F CB 1.071 40.079 39.000 0.012 0.000 1.304 219 F HN -0.386 nan 8.300 nan 0.000 0.445 220 R N 0.985 121.552 120.500 0.112 0.000 2.064 220 R HA 0.462 4.802 4.340 -0.000 0.000 0.221 220 R C 0.031 176.371 176.300 0.066 0.000 1.136 220 R CA 1.236 57.337 56.100 0.002 0.000 0.980 220 R CB 0.196 30.498 30.300 0.004 0.000 0.876 220 R HN 0.812 nan 8.270 nan 0.000 0.437 221 R N -1.602 119.030 120.500 0.220 0.000 2.905 221 R HA 0.760 5.100 4.340 -0.000 0.000 0.260 221 R C -1.475 175.072 176.300 0.411 0.000 1.086 221 R CA -0.717 55.530 56.100 0.245 0.000 0.978 221 R CB 2.158 32.425 30.300 -0.055 0.000 1.215 221 R HN 0.212 nan 8.270 nan 0.000 0.480 222 A N 1.129 124.182 122.820 0.388 0.000 2.486 222 A HA 0.673 4.993 4.320 -0.000 0.000 0.300 222 A C -1.189 176.504 177.584 0.183 0.000 1.048 222 A CA -0.616 51.574 52.037 0.255 0.000 0.696 222 A CB 1.222 20.336 19.000 0.190 0.000 1.278 222 A HN 0.559 nan 8.150 nan 0.000 0.405 223 I N 2.094 122.730 120.570 0.110 0.000 2.418 223 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 223 I C -1.444 174.716 176.117 0.073 0.000 1.008 223 I CA -0.622 60.670 61.300 -0.013 0.000 1.104 223 I CB 1.798 39.756 38.000 -0.071 0.000 1.264 223 I HN 0.422 nan 8.210 nan 0.000 0.438 224 L N 6.777 128.012 121.223 0.020 0.000 2.319 224 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 224 L C -0.397 176.543 176.870 0.117 0.000 1.005 224 L CA -0.280 54.574 54.840 0.024 0.000 0.828 224 L CB 1.410 43.416 42.059 -0.088 0.000 1.227 224 L HN 0.493 nan 8.230 nan 0.000 0.415 225 Q N 1.948 121.867 119.800 0.199 0.000 2.372 225 Q HA 0.476 4.816 4.340 -0.000 0.000 0.259 225 Q C -0.037 176.073 176.000 0.184 0.000 0.993 225 Q CA -0.566 55.420 55.803 0.305 0.000 0.854 225 Q CB 1.421 30.440 28.738 0.467 0.000 1.231 225 Q HN 0.645 nan 8.270 nan 0.000 0.462 226 S N 1.129 116.926 115.700 0.161 0.000 3.631 226 S HA -0.150 4.319 4.470 -0.000 0.000 0.366 226 S C 0.019 174.765 174.600 0.243 0.000 0.993 226 S CA 0.564 58.881 58.200 0.196 0.000 1.167 226 S CB -1.175 62.158 63.200 0.221 0.000 0.909 226 S HN 0.998 nan 8.310 nan 0.000 0.478 227 G N -0.275 108.607 108.800 0.137 0.000 2.633 227 G HA2 0.579 4.539 3.960 -0.000 0.000 0.299 227 G HA3 0.579 4.539 3.960 -0.000 0.000 0.299 227 G C -0.968 173.876 174.900 -0.092 0.000 1.501 227 G CA 0.104 45.289 45.100 0.141 0.000 0.887 227 G HN 1.096 nan 8.290 nan 0.000 0.561 228 S N 1.553 117.118 115.700 -0.224 0.000 2.579 228 S HA 0.795 5.265 4.470 -0.000 0.000 0.272 228 S C -2.011 172.295 174.600 -0.489 0.000 1.141 228 S CA -1.164 56.751 58.200 -0.475 0.000 0.843 228 S CB 3.035 65.928 63.200 -0.512 0.000 1.122 228 S HN 0.430 nan 8.310 nan 0.000 0.468 229 P HA -0.159 nan 4.420 nan 0.000 0.218 229 P C 0.696 177.769 177.300 -0.378 0.000 1.148 229 P CA 1.436 64.308 63.100 -0.379 0.000 0.822 229 P CB -0.298 31.236 31.700 -0.276 0.000 0.784 230 N N -0.715 117.796 118.700 -0.316 0.000 2.461 230 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 230 N C 0.174 175.463 175.510 -0.369 0.000 1.134 230 N CA -0.081 52.821 53.050 -0.246 0.000 0.878 230 N CB -1.351 37.121 38.487 -0.024 0.000 0.972 230 N HN 0.052 nan 8.380 nan 0.000 0.456 231 C N 3.035 121.994 119.300 -0.568 0.000 2.634 231 C HA 0.056 4.516 4.460 -0.000 0.000 0.417 231 C C -0.117 174.379 174.990 -0.824 0.000 1.334 231 C CA -0.916 57.613 59.018 -0.815 0.000 1.829 231 C CB 1.002 27.888 27.740 -1.423 0.000 2.665 231 C HN 0.366 nan 8.230 nan 0.000 0.614 232 P HA -0.127 nan 4.420 nan 0.000 0.219 232 P C 1.238 178.313 177.300 -0.374 0.000 1.146 232 P CA 1.940 64.746 63.100 -0.490 0.000 0.808 232 P CB -0.096 31.302 31.700 -0.503 0.000 0.779 233 W N -1.147 120.005 121.300 -0.247 0.000 3.114 233 W HA 0.526 5.186 4.660 -0.000 0.000 0.279 233 W C 1.341 177.892 176.519 0.053 0.000 1.277 233 W CA 0.354 57.633 57.345 -0.109 0.000 1.630 233 W CB -1.187 28.234 29.460 -0.065 0.000 1.087 233 W HN -0.121 nan 8.180 nan 0.000 0.637 234 A N 1.465 123.941 122.820 -0.574 0.000 2.206 234 A HA 0.148 4.467 4.320 -0.000 0.000 0.211 234 A C 1.004 178.415 177.584 -0.288 0.000 1.158 234 A CA 1.256 53.082 52.037 -0.352 0.000 0.761 234 A CB -0.613 17.938 19.000 -0.750 0.000 0.801 234 A HN 0.270 nan 8.150 nan 0.000 0.473 235 S N -2.163 113.368 115.700 -0.282 0.000 2.595 235 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 235 S C -0.845 173.626 174.600 -0.215 0.000 1.145 235 S CA -0.111 57.916 58.200 -0.289 0.000 0.825 235 S CB 1.100 64.073 63.200 -0.377 0.000 1.107 235 S HN 1.411 nan 8.310 nan 0.000 0.461 236 V N -0.933 118.872 119.914 -0.182 0.000 3.160 236 V HA 0.956 5.076 4.120 -0.000 0.000 0.310 236 V C 0.157 176.176 176.094 -0.125 0.000 1.181 236 V CA -0.385 61.831 62.300 -0.141 0.000 1.047 236 V CB 1.146 32.900 31.823 -0.114 0.000 1.068 236 V HN 1.628 nan 8.190 nan 0.000 0.441 237 S N 0.642 116.279 115.700 -0.106 0.000 2.614 237 S HA 0.364 4.834 4.470 -0.000 0.000 0.265 237 S C 1.319 175.869 174.600 -0.083 0.000 1.303 237 S CA 0.019 58.161 58.200 -0.096 0.000 1.000 237 S CB 1.248 64.400 63.200 -0.080 0.000 0.935 237 S HN 2.144 nan 8.310 nan 0.000 0.551 238 V N -0.900 118.952 119.914 -0.103 0.000 2.407 238 V HA -0.032 4.088 4.120 -0.000 0.000 0.248 238 V C 2.573 178.645 176.094 -0.037 0.000 1.055 238 V CA 1.780 64.024 62.300 -0.094 0.000 1.049 238 V CB -2.053 29.630 31.823 -0.234 0.000 0.662 238 V HN 1.012 nan 8.190 nan 0.000 0.455 239 A N 0.753 123.548 122.820 -0.042 0.000 1.877 239 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 239 A C 2.226 179.791 177.584 -0.032 0.000 1.186 239 A CA 2.073 54.095 52.037 -0.024 0.000 0.620 239 A CB -0.699 18.286 19.000 -0.025 0.000 0.822 239 A HN 0.662 nan 8.150 nan 0.000 0.443 240 E N 0.122 120.293 120.200 -0.049 0.000 2.150 240 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 240 E C 1.883 178.446 176.600 -0.062 0.000 0.985 240 E CA 1.425 57.785 56.400 -0.067 0.000 0.814 240 E CB -0.737 28.913 29.700 -0.084 0.000 0.752 240 E HN 0.397 nan 8.360 nan 0.000 0.466 241 G N 0.591 109.368 108.800 -0.038 0.000 2.408 241 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 241 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 241 G C 1.745 176.656 174.900 0.019 0.000 1.150 241 G CA 0.733 45.832 45.100 -0.002 0.000 0.776 241 G HN 0.315 nan 8.290 nan 0.000 0.542 242 R N 0.098 120.604 120.500 0.010 0.000 2.073 242 R HA 0.077 4.417 4.340 -0.000 0.000 0.229 242 R C 2.555 178.854 176.300 -0.002 0.000 1.120 242 R CA 0.905 57.012 56.100 0.012 0.000 0.967 242 R CB -0.346 29.965 30.300 0.018 0.000 0.862 242 R HN 0.218 nan 8.270 nan 0.000 0.436 243 R N 0.567 121.055 120.500 -0.020 0.000 2.080 243 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 243 R C 2.283 178.560 176.300 -0.039 0.000 1.137 243 R CA 1.987 58.066 56.100 -0.035 0.000 0.943 243 R CB -0.132 30.133 30.300 -0.058 0.000 0.846 243 R HN 0.300 nan 8.270 nan 0.000 0.431 244 R N -0.405 120.062 120.500 -0.055 0.000 2.092 244 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 244 R C 2.315 178.655 176.300 0.067 0.000 1.119 244 R CA 1.195 57.252 56.100 -0.072 0.000 0.970 244 R CB -0.308 29.860 30.300 -0.219 0.000 0.864 244 R HN 0.233 nan 8.270 nan 0.000 0.440 245 A N 0.850 123.732 122.820 0.102 0.000 1.877 245 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 245 A C 2.360 179.956 177.584 0.020 0.000 1.186 245 A CA 1.432 53.521 52.037 0.085 0.000 0.620 245 A CB -0.581 18.421 19.000 0.004 0.000 0.822 245 A HN 0.113 nan 8.150 nan 0.000 0.443 246 V N 0.015 119.933 119.914 0.006 0.000 2.427 246 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 246 V C 2.547 178.645 176.094 0.006 0.000 1.051 246 V CA 2.308 64.607 62.300 -0.002 0.000 1.048 246 V CB -0.649 31.172 31.823 -0.004 0.000 0.666 246 V HN 0.702 nan 8.190 nan 0.000 0.456 247 E N 0.206 120.410 120.200 0.007 0.000 2.204 247 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 247 E C 1.868 178.486 176.600 0.030 0.000 0.989 247 E CA 0.918 57.321 56.400 0.006 0.000 0.824 247 E CB -0.297 29.391 29.700 -0.020 0.000 0.756 247 E HN 0.451 nan 8.360 nan 0.000 0.477 248 L N -0.449 120.810 121.223 0.060 0.000 2.056 248 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 248 L C 2.122 179.014 176.870 0.036 0.000 1.078 248 L CA 2.212 57.099 54.840 0.079 0.000 0.749 248 L CB -0.949 41.181 42.059 0.119 0.000 0.901 248 L HN 0.225 nan 8.230 nan 0.000 0.433 249 G N -1.017 107.792 108.800 0.016 0.000 2.418 249 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 249 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 249 G C 1.814 176.728 174.900 0.023 0.000 1.158 249 G CA 0.685 45.793 45.100 0.014 0.000 0.771 249 G HN 0.372 nan 8.290 nan 0.000 0.545 250 R N 0.343 120.856 120.500 0.021 0.000 2.120 250 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 250 R C 2.090 178.406 176.300 0.028 0.000 1.123 250 R CA 1.157 57.270 56.100 0.021 0.000 0.975 250 R CB -0.251 30.058 30.300 0.015 0.000 0.866 250 R HN 0.266 nan 8.270 nan 0.000 0.446 251 N N 0.268 118.988 118.700 0.033 0.000 2.512 251 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 251 N C 0.622 176.159 175.510 0.045 0.000 1.073 251 N CA 0.804 53.879 53.050 0.042 0.000 0.911 251 N CB 0.269 38.787 38.487 0.052 0.000 0.964 251 N HN 0.272 nan 8.380 nan 0.000 0.447 252 L N 0.323 121.571 121.223 0.042 0.000 3.168 252 L HA 0.241 4.581 4.340 -0.000 0.000 0.277 252 L C -0.201 176.692 176.870 0.040 0.000 1.245 252 L CA -0.191 54.675 54.840 0.044 0.000 1.035 252 L CB 0.098 42.184 42.059 0.045 0.000 1.399 252 L HN -0.071 nan 8.230 nan 0.000 0.580 253 N N -0.355 118.366 118.700 0.035 0.000 2.727 253 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 253 N C -0.155 175.376 175.510 0.035 0.000 1.048 253 N CA 0.552 53.621 53.050 0.033 0.000 0.714 253 N CB -1.620 36.886 38.487 0.033 0.000 0.959 253 N HN 0.302 nan 8.380 nan 0.000 0.544 254 c N 0.993 119.613 118.600 0.035 0.000 2.459 254 c HA 0.219 4.789 4.570 -0.000 0.000 0.374 254 c C 1.342 175.452 174.090 0.034 0.000 1.241 254 c CA -0.983 55.370 56.329 0.040 0.000 2.352 254 c CB 0.940 43.473 42.510 0.038 0.000 2.490 254 c HN 0.369 nan 8.230 nan 0.000 0.583 255 N N 2.393 121.117 118.700 0.039 0.000 2.416 255 N HA 0.075 4.815 4.740 -0.000 0.000 0.265 255 N C 0.047 175.571 175.510 0.024 0.000 1.195 255 N CA 0.229 53.296 53.050 0.029 0.000 0.943 255 N CB 0.411 38.915 38.487 0.028 0.000 1.115 255 N HN 0.622 nan 8.380 nan 0.000 0.481 256 L N 3.072 124.305 121.223 0.017 0.000 2.728 256 L HA 0.172 4.512 4.340 -0.000 0.000 0.235 256 L C 1.336 178.211 176.870 0.008 0.000 1.197 256 L CA -0.287 54.560 54.840 0.012 0.000 0.992 256 L CB -0.251 41.814 42.059 0.009 0.000 1.263 256 L HN 0.427 nan 8.230 nan 0.000 0.484 257 N N 0.531 119.236 118.700 0.008 0.000 2.331 257 N HA -0.055 4.685 4.740 -0.000 0.000 0.180 257 N C 0.690 176.203 175.510 0.004 0.000 1.019 257 N CA 0.829 53.882 53.050 0.005 0.000 0.881 257 N CB 0.328 38.816 38.487 0.003 0.000 0.972 257 N HN 0.484 nan 8.380 nan 0.000 0.435 258 S N -1.507 114.197 115.700 0.006 0.000 2.587 258 S HA 0.268 4.738 4.470 -0.000 0.000 0.269 258 S C -0.142 174.463 174.600 0.008 0.000 1.154 258 S CA -0.875 57.328 58.200 0.005 0.000 0.824 258 S CB 1.479 64.681 63.200 0.003 0.000 1.118 258 S HN -0.217 nan 8.310 nan 0.000 0.462 259 D N 1.213 121.616 120.400 0.004 0.000 2.104 259 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 259 D C 1.522 177.833 176.300 0.019 0.000 0.994 259 D CA 2.001 56.003 54.000 0.002 0.000 0.830 259 D CB -0.299 40.499 40.800 -0.003 0.000 0.959 259 D HN 0.706 nan 8.370 nan 0.000 0.452 260 E N 1.129 121.344 120.200 0.025 0.000 2.049 260 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 260 E C 2.093 178.737 176.600 0.072 0.000 1.007 260 E CA 1.182 57.609 56.400 0.045 0.000 0.809 260 E CB -0.258 29.459 29.700 0.027 0.000 0.749 260 E HN 0.471 nan 8.360 nan 0.000 0.450 261 E N 0.049 120.276 120.200 0.044 0.000 2.072 261 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 261 E C 2.073 178.727 176.600 0.091 0.000 0.985 261 E CA 0.718 57.150 56.400 0.053 0.000 0.801 261 E CB -0.154 29.555 29.700 0.015 0.000 0.750 261 E HN 0.101 nan 8.360 nan 0.000 0.452 262 L N 1.426 122.681 121.223 0.054 0.000 1.994 262 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 262 L C 2.082 178.981 176.870 0.050 0.000 1.071 262 L CA 1.649 56.511 54.840 0.038 0.000 0.745 262 L CB -0.374 41.685 42.059 0.001 0.000 0.892 262 L HN 0.093 nan 8.230 nan 0.000 0.431 263 I N -0.786 119.815 120.570 0.052 0.000 2.226 263 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 263 I C 2.633 178.839 176.117 0.149 0.000 1.100 263 I CA 1.527 62.876 61.300 0.082 0.000 1.374 263 I CB -0.765 37.286 38.000 0.085 0.000 1.057 263 I HN 0.495 nan 8.210 nan 0.000 0.413 264 H N 0.606 119.716 119.070 0.067 0.000 2.387 264 H HA -0.255 4.301 4.556 -0.000 0.000 0.299 264 H C 2.419 177.785 175.328 0.064 0.000 1.099 264 H CA 2.191 58.276 56.048 0.062 0.000 1.315 264 H CB -0.212 29.574 29.762 0.040 0.000 1.380 264 H HN 0.487 nan 8.280 nan 0.000 0.513 265 c N 0.799 119.506 118.600 0.179 0.000 2.432 265 c HA -0.077 4.493 4.570 -0.000 0.000 0.277 265 c C 3.067 177.190 174.090 0.055 0.000 1.249 265 c CA 0.779 57.181 56.329 0.122 0.000 1.725 265 c CB -1.363 41.216 42.510 0.115 0.000 2.028 265 c HN 0.574 nan 8.230 nan 0.000 0.477 266 L N 0.204 121.480 121.223 0.087 0.000 2.265 266 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 266 L C 2.865 179.824 176.870 0.148 0.000 1.117 266 L CA 1.285 56.209 54.840 0.140 0.000 0.782 266 L CB -0.664 41.505 42.059 0.183 0.000 0.914 266 L HN 0.370 nan 8.230 nan 0.000 0.441 267 R N -0.424 120.119 120.500 0.072 0.000 2.236 267 R HA -0.049 4.291 4.340 -0.000 0.000 0.208 267 R C 1.781 178.020 176.300 -0.101 0.000 1.036 267 R CA 0.417 56.483 56.100 -0.055 0.000 1.001 267 R CB 0.099 30.344 30.300 -0.091 0.000 0.896 267 R HN 0.305 nan 8.270 nan 0.000 0.464 268 E N 0.673 120.806 120.200 -0.111 0.000 2.371 268 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 268 E C 0.074 176.663 176.600 -0.018 0.000 1.012 268 E CA 0.553 56.902 56.400 -0.086 0.000 0.860 268 E CB 0.283 29.933 29.700 -0.082 0.000 0.811 268 E HN 0.081 nan 8.360 nan 0.000 0.502 269 K N 1.617 122.022 120.400 0.008 0.000 2.202 269 K HA 0.185 4.505 4.320 -0.000 0.000 0.264 269 K C 0.469 177.099 176.600 0.051 0.000 1.010 269 K CA -0.098 56.212 56.287 0.037 0.000 0.940 269 K CB 0.950 33.482 32.500 0.054 0.000 0.983 269 K HN -0.109 nan 8.250 nan 0.000 0.475 270 K N 2.164 122.601 120.400 0.061 0.000 2.202 270 K HA 0.054 4.374 4.320 -0.000 0.000 0.264 270 K C -1.600 175.081 176.600 0.135 0.000 1.010 270 K CA -1.597 54.733 56.287 0.072 0.000 0.940 270 K CB 0.318 32.852 32.500 0.058 0.000 0.983 270 K HN 0.171 nan 8.250 nan 0.000 0.475 271 P HA -0.235 nan 4.420 nan 0.000 0.214 271 P C 1.068 178.553 177.300 0.309 0.000 1.169 271 P CA 1.290 64.576 63.100 0.311 0.000 0.908 271 P CB 0.235 31.966 31.700 0.050 0.000 0.791 272 Q N -0.028 119.876 119.800 0.174 0.000 2.297 272 Q HA -0.199 4.141 4.340 -0.000 0.000 0.208 272 Q C 1.870 177.966 176.000 0.161 0.000 0.981 272 Q CA 1.606 57.506 55.803 0.161 0.000 0.876 272 Q CB -0.824 27.976 28.738 0.104 0.000 0.921 272 Q HN 0.376 nan 8.270 nan 0.000 0.446 273 E N -0.977 119.307 120.200 0.141 0.000 2.072 273 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 273 E C 1.665 178.336 176.600 0.118 0.000 0.985 273 E CA 0.994 57.463 56.400 0.116 0.000 0.801 273 E CB -0.008 29.746 29.700 0.090 0.000 0.750 273 E HN 0.263 nan 8.360 nan 0.000 0.452 274 L N 0.746 122.041 121.223 0.119 0.000 2.027 274 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 274 L C 2.279 179.215 176.870 0.110 0.000 1.074 274 L CA 1.331 56.204 54.840 0.055 0.000 0.745 274 L CB -0.443 41.553 42.059 -0.105 0.000 0.898 274 L HN 0.128 nan 8.230 nan 0.000 0.433 275 I N -0.418 120.271 120.570 0.198 0.000 2.208 275 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 275 I C 2.036 178.321 176.117 0.280 0.000 1.097 275 I CA 1.228 62.689 61.300 0.269 0.000 1.363 275 I CB -0.567 37.638 38.000 0.341 0.000 1.051 275 I HN 0.285 nan 8.210 nan 0.000 0.413 276 D N 0.575 121.118 120.400 0.238 0.000 2.190 276 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 276 D C 1.944 178.384 176.300 0.233 0.000 0.992 276 D CA 1.730 55.871 54.000 0.235 0.000 0.854 276 D CB -0.045 40.856 40.800 0.167 0.000 0.936 276 D HN 0.418 nan 8.370 nan 0.000 0.462 277 V N -2.419 117.606 119.914 0.186 0.000 3.578 277 V HA 0.189 4.309 4.120 -0.000 0.000 0.290 277 V C 1.794 177.975 176.094 0.146 0.000 1.376 277 V CA 0.055 62.452 62.300 0.162 0.000 1.083 277 V CB 0.311 32.204 31.823 0.116 0.000 0.911 277 V HN -0.055 nan 8.190 nan 0.000 0.433 278 E N 0.975 121.250 120.200 0.125 0.000 2.108 278 E HA -0.290 4.060 4.350 -0.000 0.000 0.203 278 E C 1.568 178.052 176.600 -0.195 0.000 1.022 278 E CA 2.857 59.251 56.400 -0.011 0.000 0.823 278 E CB -0.237 29.357 29.700 -0.176 0.000 0.744 278 E HN 0.829 nan 8.360 nan 0.000 0.456 279 W N 0.704 122.005 121.300 0.003 0.000 2.699 279 W HA 0.001 4.661 4.660 -0.000 0.000 0.249 279 W C 1.804 178.288 176.519 -0.058 0.000 1.280 279 W CA 0.159 57.462 57.345 -0.070 0.000 1.345 279 W CB -0.123 29.273 29.460 -0.108 0.000 1.128 279 W HN 0.105 nan 8.180 nan 0.000 0.642 280 N N 0.299 119.085 118.700 0.144 0.000 2.459 280 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 280 N C 1.836 177.350 175.510 0.006 0.000 1.046 280 N CA 1.576 54.674 53.050 0.079 0.000 0.904 280 N CB -0.771 37.763 38.487 0.079 0.000 0.964 280 N HN 0.255 nan 8.380 nan 0.000 0.444 281 V N -1.655 118.230 119.914 -0.049 0.000 3.461 281 V HA 0.145 4.265 4.120 -0.000 0.000 0.267 281 V C 0.899 176.888 176.094 -0.176 0.000 1.186 281 V CA 0.128 62.357 62.300 -0.118 0.000 1.154 281 V CB -0.813 30.904 31.823 -0.176 0.000 0.802 281 V HN 0.030 nan 8.190 nan 0.000 0.474 282 L N 1.114 122.250 121.223 -0.145 0.000 2.485 282 L HA 0.173 4.512 4.340 -0.000 0.000 0.275 282 L C -0.615 176.114 176.870 -0.234 0.000 1.207 282 L CA -0.952 53.787 54.840 -0.167 0.000 0.855 282 L CB 0.413 42.436 42.059 -0.060 0.000 1.114 282 L HN 0.130 nan 8.230 nan 0.000 0.485 283 P HA -0.088 nan 4.420 nan 0.000 0.215 283 P C -0.644 176.139 177.300 -0.862 0.000 1.157 283 P CA 1.382 63.988 63.100 -0.823 0.000 0.868 283 P CB 0.251 31.156 31.700 -1.324 0.000 0.788 284 F N -2.717 117.236 119.950 0.005 0.000 2.675 284 F HA 0.379 4.905 4.527 -0.000 0.000 0.324 284 F C 0.075 175.885 175.800 0.016 0.000 1.106 284 F CA -1.585 56.423 58.000 0.013 0.000 0.970 284 F CB 0.007 39.020 39.000 0.020 0.000 1.385 284 F HN -0.445 nan 8.300 nan 0.000 0.489 285 D N 1.226 121.765 120.400 0.231 0.000 2.425 285 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 285 D C -0.157 176.227 176.300 0.140 0.000 1.147 285 D CA 0.539 54.618 54.000 0.130 0.000 0.879 285 D CB 0.977 41.832 40.800 0.091 0.000 1.179 285 D HN 0.712 nan 8.370 nan 0.000 0.456 286 S N 0.612 116.371 115.700 0.098 0.000 2.655 286 S HA 0.701 5.171 4.470 -0.000 0.000 0.266 286 S C -0.818 173.811 174.600 0.049 0.000 1.149 286 S CA -1.065 57.188 58.200 0.087 0.000 0.818 286 S CB 0.760 64.037 63.200 0.129 0.000 1.130 286 S HN 0.475 nan 8.310 nan 0.000 0.476 287 I N -3.048 117.549 120.570 0.045 0.000 2.730 287 I HA 0.818 4.988 4.170 -0.000 0.000 0.298 287 I C -0.474 175.657 176.117 0.025 0.000 1.089 287 I CA -1.005 60.322 61.300 0.045 0.000 1.041 287 I CB 1.615 39.662 38.000 0.078 0.000 1.235 287 I HN 0.842 nan 8.210 nan 0.000 0.423 288 F N 2.568 122.356 119.950 -0.270 0.000 3.080 288 F HA -0.168 4.359 4.527 -0.000 0.000 0.292 288 F C -0.471 174.782 175.800 -0.912 0.000 0.891 288 F CA 0.567 58.140 58.000 -0.712 0.000 1.086 288 F CB -0.602 37.938 39.000 -0.767 0.000 1.095 288 F HN 0.656 nan 8.300 nan 0.000 0.633 289 R N 0.589 120.640 120.500 -0.748 0.000 2.575 289 R HA 0.613 4.953 4.340 -0.000 0.000 0.293 289 R C -1.052 174.822 176.300 -0.709 0.000 0.983 289 R CA -0.517 55.217 56.100 -0.611 0.000 0.887 289 R CB 1.330 31.540 30.300 -0.150 0.000 1.184 289 R HN -0.011 nan 8.270 nan 0.000 0.445 290 F N -0.509 119.528 119.950 0.146 0.000 2.551 290 F HA 0.369 4.896 4.527 -0.000 0.000 0.316 290 F C 1.579 177.284 175.800 -0.158 0.000 1.089 290 F CA -0.854 57.147 58.000 0.001 0.000 0.915 290 F CB 1.751 40.859 39.000 0.180 0.000 1.186 290 F HN 0.351 nan 8.300 nan 0.000 0.456 291 S N 0.856 116.409 115.700 -0.244 0.000 2.351 291 S HA -0.088 4.382 4.470 -0.000 0.000 0.220 291 S C 0.131 174.302 174.600 -0.715 0.000 1.035 291 S CA 1.321 59.174 58.200 -0.578 0.000 1.031 291 S CB -0.276 62.410 63.200 -0.856 0.000 0.928 291 S HN 0.352 nan 8.310 nan 0.000 0.433 292 F N 1.693 121.651 119.950 0.013 0.000 2.347 292 F HA 0.560 5.087 4.527 -0.000 0.000 0.366 292 F C 0.078 175.904 175.800 0.044 0.000 1.107 292 F CA -0.972 57.072 58.000 0.072 0.000 1.058 292 F CB 1.037 40.115 39.000 0.130 0.000 1.236 292 F HN -0.062 nan 8.300 nan 0.000 0.456 293 V N 0.865 120.770 119.914 -0.015 0.000 3.167 293 V HA 0.758 4.878 4.120 -0.000 0.000 0.310 293 V C -2.892 172.895 176.094 -0.513 0.000 1.207 293 V CA -3.335 58.645 62.300 -0.533 0.000 1.059 293 V CB 1.944 33.607 31.823 -0.267 0.000 1.079 293 V HN 0.263 nan 8.190 nan 0.000 0.446 294 P HA 0.233 nan 4.420 nan 0.000 0.267 294 P C -0.626 176.587 177.300 -0.144 0.000 1.195 294 P CA 0.342 63.245 63.100 -0.330 0.000 0.773 294 P CB 0.355 31.797 31.700 -0.430 0.000 0.837 295 V N 0.298 120.221 119.914 0.015 0.000 2.680 295 V HA 0.451 4.571 4.120 -0.000 0.000 0.309 295 V C -0.164 175.971 176.094 0.069 0.000 1.052 295 V CA -0.869 61.430 62.300 -0.002 0.000 0.908 295 V CB 1.936 33.776 31.823 0.029 0.000 1.001 295 V HN 0.206 nan 8.190 nan 0.000 0.431 296 I N 4.879 125.421 120.570 -0.045 0.000 2.293 296 I HA 0.205 4.375 4.170 -0.000 0.000 0.299 296 I C 0.889 177.013 176.117 0.011 0.000 1.153 296 I CA 0.200 61.495 61.300 -0.007 0.000 1.302 296 I CB -0.073 37.848 38.000 -0.132 0.000 1.460 296 I HN 0.975 nan 8.210 nan 0.000 0.552 297 D N 3.434 123.906 120.400 0.120 0.000 2.346 297 D HA 0.041 4.681 4.640 -0.000 0.000 0.206 297 D C 1.432 177.766 176.300 0.057 0.000 1.001 297 D CA 0.905 54.909 54.000 0.007 0.000 0.871 297 D CB 0.404 41.300 40.800 0.159 0.000 0.943 297 D HN 0.638 nan 8.370 nan 0.000 0.518 298 G N 0.587 109.468 108.800 0.136 0.000 2.175 298 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.244 298 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.244 298 G C 0.668 175.647 174.900 0.130 0.000 0.982 298 G CA 0.595 45.768 45.100 0.122 0.000 0.641 298 G HN 0.542 nan 8.290 nan 0.000 0.527 299 E N -1.218 119.076 120.200 0.156 0.000 2.625 299 E HA 0.370 4.720 4.350 -0.000 0.000 0.185 299 E C 1.880 178.517 176.600 0.060 0.000 1.085 299 E CA -0.051 56.415 56.400 0.110 0.000 1.137 299 E CB -0.071 29.710 29.700 0.136 0.000 1.687 299 E HN 0.269 nan 8.360 nan 0.000 0.512 300 F N 0.596 120.496 119.950 -0.083 0.000 2.161 300 F HA 0.035 4.562 4.527 -0.000 0.000 0.300 300 F C 0.106 175.638 175.800 -0.446 0.000 1.089 300 F CA 1.098 58.918 58.000 -0.300 0.000 1.282 300 F CB 0.245 38.983 39.000 -0.437 0.000 1.010 300 F HN -0.037 nan 8.300 nan 0.000 0.485 301 F N 0.826 120.922 119.950 0.243 0.000 2.382 301 F HA 0.361 4.888 4.527 -0.000 0.000 0.361 301 F C -1.594 174.247 175.800 0.069 0.000 1.109 301 F CA -2.934 55.151 58.000 0.142 0.000 1.031 301 F CB 0.650 39.735 39.000 0.142 0.000 1.234 301 F HN -0.243 nan 8.300 nan 0.000 0.445 302 P HA -0.134 nan 4.420 nan 0.000 0.215 302 P C 0.451 177.813 177.300 0.104 0.000 1.163 302 P CA 1.985 65.148 63.100 0.104 0.000 0.894 302 P CB 0.175 31.913 31.700 0.063 0.000 0.791 303 T N -6.452 108.170 114.554 0.113 0.000 2.654 303 T HA 0.469 4.819 4.350 -0.000 0.000 0.289 303 T C -0.288 174.451 174.700 0.065 0.000 1.062 303 T CA -0.661 61.483 62.100 0.073 0.000 1.041 303 T CB 0.748 69.645 68.868 0.049 0.000 1.417 303 T HN 0.012 nan 8.240 nan 0.000 0.510 304 S N 0.122 115.836 115.700 0.023 0.000 2.558 304 S HA 0.106 4.576 4.470 -0.000 0.000 0.287 304 S C 1.511 176.111 174.600 0.001 0.000 1.321 304 S CA -0.613 57.579 58.200 -0.014 0.000 1.048 304 S CB -0.440 62.751 63.200 -0.014 0.000 0.844 304 S HN 0.663 nan 8.310 nan 0.000 0.512 305 L N 0.636 121.824 121.223 -0.058 0.000 2.079 305 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 305 L C 2.912 179.817 176.870 0.060 0.000 1.081 305 L CA 1.922 56.749 54.840 -0.022 0.000 0.752 305 L CB -0.788 41.199 42.059 -0.121 0.000 0.896 305 L HN 0.788 nan 8.230 nan 0.000 0.433 306 E N 0.733 120.965 120.200 0.053 0.000 2.051 306 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 306 E C 2.304 178.964 176.600 0.101 0.000 0.991 306 E CA 1.736 58.200 56.400 0.106 0.000 0.799 306 E CB -0.110 29.648 29.700 0.095 0.000 0.748 306 E HN 0.459 nan 8.360 nan 0.000 0.449 307 S N -0.459 115.283 115.700 0.071 0.000 2.399 307 S HA -0.168 4.302 4.470 -0.000 0.000 0.231 307 S C 2.105 176.749 174.600 0.073 0.000 1.022 307 S CA 1.310 59.549 58.200 0.064 0.000 0.983 307 S CB -0.347 62.877 63.200 0.041 0.000 0.803 307 S HN 0.258 nan 8.310 nan 0.000 0.480 308 M N 0.677 120.336 119.600 0.098 0.000 2.200 308 M HA 0.111 4.591 4.480 -0.000 0.000 0.265 308 M C 2.090 178.523 176.300 0.221 0.000 1.066 308 M CA 1.214 56.595 55.300 0.134 0.000 1.127 308 M CB -0.487 32.223 32.600 0.183 0.000 1.379 308 M HN 0.319 nan 8.290 nan 0.000 0.420 309 L N -0.103 121.258 121.223 0.230 0.000 2.109 309 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 309 L C 1.965 179.006 176.870 0.286 0.000 1.086 309 L CA 0.687 55.702 54.840 0.291 0.000 0.760 309 L CB -0.644 41.488 42.059 0.122 0.000 0.910 309 L HN 0.331 nan 8.230 nan 0.000 0.437 310 N N -0.458 118.352 118.700 0.183 0.000 2.331 310 N HA -0.109 4.631 4.740 -0.000 0.000 0.180 310 N C 1.893 177.504 175.510 0.169 0.000 1.019 310 N CA 1.485 54.649 53.050 0.191 0.000 0.881 310 N CB -0.063 38.503 38.487 0.131 0.000 0.972 310 N HN 0.324 nan 8.380 nan 0.000 0.435 311 S N -1.148 114.554 115.700 0.003 0.000 2.556 311 S HA 0.273 4.743 4.470 -0.000 0.000 0.216 311 S C 1.322 175.527 174.600 -0.658 0.000 0.970 311 S CA 0.327 58.431 58.200 -0.160 0.000 0.912 311 S CB 0.211 63.343 63.200 -0.113 0.000 0.790 311 S HN 0.337 nan 8.310 nan 0.000 0.504 312 G N 2.097 110.308 108.800 -0.982 0.000 2.160 312 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 312 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 312 G C -0.014 174.021 174.900 -1.443 0.000 1.008 312 G CA 0.109 43.983 45.100 -2.043 0.000 0.724 312 G HN 0.631 nan 8.290 nan 0.000 0.514 313 N N 0.585 118.873 118.700 -0.687 0.000 3.050 313 N HA 0.510 5.250 4.740 -0.000 0.000 0.289 313 N C -0.083 175.358 175.510 -0.115 0.000 1.209 313 N CA -0.143 52.694 53.050 -0.355 0.000 1.154 313 N CB -0.820 37.589 38.487 -0.129 0.000 1.444 313 N HN 0.713 nan 8.380 nan 0.000 0.529 314 F N -1.369 118.530 119.950 -0.086 0.000 2.807 314 F HA 0.423 4.950 4.527 -0.000 0.000 0.316 314 F C -0.336 175.483 175.800 0.032 0.000 1.162 314 F CA -1.469 56.550 58.000 0.032 0.000 0.910 314 F CB 0.600 39.687 39.000 0.144 0.000 1.314 314 F HN -0.170 nan 8.300 nan 0.000 0.454 315 K N 1.508 122.158 120.400 0.418 0.000 2.451 315 K HA 0.217 4.537 4.320 -0.000 0.000 0.280 315 K C -1.088 175.763 176.600 0.418 0.000 1.020 315 K CA -0.121 56.321 56.287 0.259 0.000 1.008 315 K CB 0.514 33.109 32.500 0.159 0.000 0.917 315 K HN 0.723 nan 8.250 nan 0.000 0.478 316 K N 2.765 123.278 120.400 0.188 0.000 2.334 316 K HA 0.190 4.510 4.320 -0.000 0.000 0.265 316 K C -0.383 176.326 176.600 0.183 0.000 1.039 316 K CA -0.335 56.063 56.287 0.186 0.000 0.920 316 K CB 1.894 34.406 32.500 0.020 0.000 1.160 316 K HN 0.620 nan 8.250 nan 0.000 0.451 317 T N 1.301 116.044 114.554 0.315 0.000 2.606 317 T HA 0.260 4.610 4.350 -0.000 0.000 0.289 317 T C -1.443 173.447 174.700 0.316 0.000 1.113 317 T CA -0.621 61.618 62.100 0.231 0.000 1.106 317 T CB 0.776 69.746 68.868 0.170 0.000 1.611 317 T HN 0.381 nan 8.240 nan 0.000 0.471 318 Q N 1.069 121.024 119.800 0.257 0.000 2.245 318 Q HA 0.754 5.094 4.340 -0.000 0.000 0.256 318 Q C -0.466 175.818 176.000 0.473 0.000 0.942 318 Q CA -0.468 55.544 55.803 0.348 0.000 0.896 318 Q CB 1.423 30.323 28.738 0.269 0.000 1.272 318 Q HN 0.668 nan 8.270 nan 0.000 0.442 319 I N -1.317 119.502 120.570 0.415 0.000 2.769 319 I HA 0.699 4.869 4.170 -0.000 0.000 0.298 319 I C -1.511 174.535 176.117 -0.118 0.000 1.128 319 I CA -1.381 60.032 61.300 0.188 0.000 1.031 319 I CB 1.918 39.863 38.000 -0.092 0.000 1.235 319 I HN 0.553 nan 8.210 nan 0.000 0.423 320 L N 7.002 127.920 121.223 -0.509 0.000 2.404 320 L HA 0.753 5.093 4.340 -0.000 0.000 0.272 320 L C -1.306 175.358 176.870 -0.343 0.000 0.980 320 L CA -0.478 53.946 54.840 -0.693 0.000 0.836 320 L CB 1.524 42.620 42.059 -1.606 0.000 1.238 320 L HN 0.837 nan 8.230 nan 0.000 0.408 321 L N 2.442 123.586 121.223 -0.132 0.000 2.397 321 L HA 1.138 5.478 4.340 -0.000 0.000 0.251 321 L C -0.599 176.066 176.870 -0.342 0.000 1.064 321 L CA -0.450 54.333 54.840 -0.094 0.000 0.859 321 L CB 2.007 44.008 42.059 -0.097 0.000 1.468 321 L HN 0.649 nan 8.230 nan 0.000 0.411 322 G N -0.301 108.110 108.800 -0.648 0.000 2.340 322 G HA2 0.563 4.523 3.960 -0.000 0.000 0.299 322 G HA3 0.563 4.523 3.960 -0.000 0.000 0.299 322 G C -1.501 173.071 174.900 -0.546 0.000 1.291 322 G CA 0.035 44.432 45.100 -1.172 0.000 0.841 322 G HN 1.445 nan 8.290 nan 0.000 0.500 323 V N -2.757 116.995 119.914 -0.271 0.000 3.182 323 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 323 V C -1.167 175.034 176.094 0.180 0.000 1.240 323 V CA -1.427 60.919 62.300 0.077 0.000 1.063 323 V CB 1.857 33.751 31.823 0.118 0.000 1.076 323 V HN 0.715 nan 8.190 nan 0.000 0.446 324 N N 0.642 119.452 118.700 0.183 0.000 2.443 324 N HA 0.448 5.188 4.740 -0.000 0.000 0.293 324 N C 0.530 176.016 175.510 -0.039 0.000 1.159 324 N CA -0.451 52.678 53.050 0.133 0.000 0.904 324 N CB 1.858 40.511 38.487 0.277 0.000 1.214 324 N HN 0.947 nan 8.380 nan 0.000 0.513 325 K N 0.156 120.411 120.400 -0.242 0.000 2.074 325 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 325 K C -0.598 176.085 176.600 0.140 0.000 1.048 325 K CA 1.402 57.628 56.287 -0.102 0.000 0.926 325 K CB 0.169 32.612 32.500 -0.095 0.000 0.713 325 K HN 0.512 nan 8.250 nan 0.000 0.444 326 D N 1.199 121.676 120.400 0.129 0.000 2.683 326 D HA 0.034 4.674 4.640 -0.000 0.000 0.309 326 D C 0.106 176.517 176.300 0.185 0.000 1.238 326 D CA -0.095 54.000 54.000 0.158 0.000 0.936 326 D CB 1.303 42.176 40.800 0.121 0.000 1.001 326 D HN 0.187 nan 8.370 nan 0.000 0.505 327 E N 0.463 120.793 120.200 0.217 0.000 2.153 327 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 327 E C 1.906 178.675 176.600 0.283 0.000 0.988 327 E CA 0.604 57.165 56.400 0.269 0.000 0.811 327 E CB 0.174 30.016 29.700 0.236 0.000 0.746 327 E HN 0.430 nan 8.360 nan 0.000 0.466 328 G N 0.955 109.896 108.800 0.235 0.000 2.838 328 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.210 328 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.210 328 G C 1.674 176.720 174.900 0.243 0.000 1.153 328 G CA 0.654 45.917 45.100 0.271 0.000 0.778 328 G HN 0.330 nan 8.290 nan 0.000 0.539 329 S N 0.701 116.506 115.700 0.174 0.000 2.370 329 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 329 S C 2.069 176.661 174.600 -0.013 0.000 1.033 329 S CA 1.176 59.434 58.200 0.096 0.000 1.011 329 S CB -0.609 62.574 63.200 -0.029 0.000 0.852 329 S HN 0.280 nan 8.310 nan 0.000 0.457 330 F N 1.997 121.809 119.950 -0.230 0.000 2.126 330 F HA -0.021 4.505 4.527 -0.000 0.000 0.299 330 F C 1.682 177.239 175.800 -0.404 0.000 1.096 330 F CA 1.422 59.146 58.000 -0.460 0.000 1.255 330 F CB -0.378 38.199 39.000 -0.705 0.000 0.997 330 F HN 0.174 nan 8.300 nan 0.000 0.479 331 F N -0.256 119.686 119.950 -0.013 0.000 2.367 331 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 331 F C 2.052 177.790 175.800 -0.104 0.000 1.094 331 F CA 0.642 58.583 58.000 -0.099 0.000 1.409 331 F CB -0.807 38.087 39.000 -0.177 0.000 1.064 331 F HN -0.075 nan 8.300 nan 0.000 0.528 332 L N -0.624 120.580 121.223 -0.032 0.000 2.056 332 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 332 L C 2.465 179.169 176.870 -0.277 0.000 1.078 332 L CA 0.586 55.199 54.840 -0.378 0.000 0.749 332 L CB -0.612 40.862 42.059 -0.976 0.000 0.901 332 L HN 0.170 nan 8.230 nan 0.000 0.433 333 L N -0.880 120.317 121.223 -0.044 0.000 2.043 333 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 333 L C 2.309 179.215 176.870 0.060 0.000 1.075 333 L CA 2.048 56.988 54.840 0.167 0.000 0.752 333 L CB -0.636 41.510 42.059 0.144 0.000 0.891 333 L HN 0.124 nan 8.230 nan 0.000 0.432 334 Y N -0.829 119.394 120.300 -0.127 0.000 2.337 334 Y HA 0.198 4.747 4.550 -0.000 0.000 0.293 334 Y C 2.223 178.074 175.900 -0.082 0.000 1.123 334 Y CA 1.041 59.065 58.100 -0.126 0.000 1.201 334 Y CB -0.249 38.071 38.460 -0.232 0.000 1.011 334 Y HN 0.262 nan 8.280 nan 0.000 0.545 335 G N -1.439 107.415 108.800 0.090 0.000 3.979 335 G HA2 0.517 4.477 3.960 -0.000 0.000 0.287 335 G HA3 0.517 4.477 3.960 -0.000 0.000 0.287 335 G C -0.495 174.443 174.900 0.064 0.000 1.011 335 G CA 0.324 45.454 45.100 0.049 0.000 0.818 335 G HN 0.258 nan 8.290 nan 0.000 0.470 336 A N 1.518 124.402 122.820 0.107 0.000 2.343 336 A HA 0.850 5.169 4.320 -0.000 0.000 0.316 336 A C -2.674 175.096 177.584 0.310 0.000 1.104 336 A CA -1.589 50.566 52.037 0.197 0.000 0.768 336 A CB 1.876 20.991 19.000 0.192 0.000 1.213 336 A HN 0.054 nan 8.150 nan 0.000 0.456 337 P HA 0.263 nan 4.420 nan 0.000 0.268 337 P C 0.912 178.215 177.300 0.006 0.000 1.205 337 P CA 1.563 64.718 63.100 0.090 0.000 0.771 337 P CB 1.084 32.807 31.700 0.040 0.000 0.858 338 G N 1.528 110.275 108.800 -0.087 0.000 2.213 338 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.236 338 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.236 338 G C -0.178 174.444 174.900 -0.464 0.000 0.991 338 G CA -0.440 44.485 45.100 -0.293 0.000 0.629 338 G HN 0.431 nan 8.290 nan 0.000 0.517 339 F N 1.517 121.393 119.950 -0.122 0.000 2.385 339 F HA 0.754 5.281 4.527 -0.000 0.000 0.336 339 F C 0.743 176.521 175.800 -0.036 0.000 1.100 339 F CA 0.122 58.019 58.000 -0.173 0.000 1.116 339 F CB 2.089 41.046 39.000 -0.072 0.000 1.166 339 F HN 0.179 nan 8.300 nan 0.000 0.511 340 S N 1.591 117.404 115.700 0.189 0.000 2.550 340 S HA 0.261 4.731 4.470 -0.000 0.000 0.270 340 S C 0.244 175.083 174.600 0.398 0.000 1.145 340 S CA -0.858 57.477 58.200 0.224 0.000 0.852 340 S CB 1.736 64.984 63.200 0.079 0.000 1.119 340 S HN 0.760 nan 8.310 nan 0.000 0.465 341 K N 0.952 121.498 120.400 0.244 0.000 2.228 341 K HA 0.078 4.398 4.320 -0.000 0.000 0.202 341 K C -0.181 176.463 176.600 0.073 0.000 1.051 341 K CA 1.225 57.581 56.287 0.116 0.000 0.960 341 K CB 0.011 32.281 32.500 -0.383 0.000 0.743 341 K HN 0.621 nan 8.250 nan 0.000 0.458 342 D N 0.665 121.092 120.400 0.044 0.000 2.615 342 D HA 0.055 4.695 4.640 -0.000 0.000 0.236 342 D C -0.499 175.834 176.300 0.055 0.000 1.233 342 D CA 0.106 54.116 54.000 0.016 0.000 0.829 342 D CB 0.979 41.754 40.800 -0.042 0.000 1.024 342 D HN 0.016 nan 8.370 nan 0.000 0.490 343 S N -0.410 115.361 115.700 0.119 0.000 2.625 343 S HA 0.147 4.617 4.470 -0.000 0.000 0.271 343 S C 0.400 175.039 174.600 0.065 0.000 1.161 343 S CA -0.561 57.670 58.200 0.052 0.000 0.820 343 S CB 2.188 65.373 63.200 -0.024 0.000 1.137 343 S HN -0.054 nan 8.310 nan 0.000 0.470 344 E N 0.920 121.108 120.200 -0.020 0.000 2.347 344 E HA 0.061 4.411 4.350 -0.000 0.000 0.196 344 E C -0.235 176.139 176.600 -0.377 0.000 1.008 344 E CA 0.783 57.151 56.400 -0.052 0.000 0.852 344 E CB -0.083 29.599 29.700 -0.029 0.000 0.783 344 E HN 0.701 nan 8.360 nan 0.000 0.505 345 S N 0.678 116.107 115.700 -0.451 0.000 3.706 345 S HA -0.164 4.306 4.470 -0.000 0.000 0.363 345 S C -0.509 173.740 174.600 -0.585 0.000 0.999 345 S CA 0.600 58.388 58.200 -0.686 0.000 1.143 345 S CB -1.181 61.220 63.200 -1.333 0.000 0.902 345 S HN 0.292 nan 8.310 nan 0.000 0.476 346 K N 1.063 121.249 120.400 -0.357 0.000 2.383 346 K HA 0.225 4.545 4.320 -0.000 0.000 0.286 346 K C 0.354 176.768 176.600 -0.311 0.000 1.051 346 K CA -0.098 56.028 56.287 -0.268 0.000 0.974 346 K CB 0.344 32.744 32.500 -0.167 0.000 0.968 346 K HN 0.222 nan 8.250 nan 0.000 0.475 347 I N 3.048 123.439 120.570 -0.299 0.000 2.342 347 I HA 0.017 4.187 4.170 -0.000 0.000 0.291 347 I C 1.117 177.155 176.117 -0.132 0.000 1.010 347 I CA -0.181 60.956 61.300 -0.271 0.000 1.308 347 I CB 0.801 38.652 38.000 -0.248 0.000 1.400 347 I HN 0.657 nan 8.210 nan 0.000 0.488 348 S N 6.296 121.931 115.700 -0.109 0.000 2.608 348 S HA 0.193 4.663 4.470 -0.000 0.000 0.261 348 S C 1.209 175.806 174.600 -0.004 0.000 1.314 348 S CA -0.298 57.865 58.200 -0.061 0.000 0.992 348 S CB 1.426 64.596 63.200 -0.050 0.000 0.935 348 S HN 0.604 nan 8.310 nan 0.000 0.564 349 R N 0.764 121.259 120.500 -0.008 0.000 2.096 349 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 349 R C 2.293 178.658 176.300 0.109 0.000 1.127 349 R CA 2.143 58.260 56.100 0.028 0.000 0.968 349 R CB -0.984 29.316 30.300 -0.001 0.000 0.861 349 R HN 0.941 nan 8.270 nan 0.000 0.440 350 E N -0.247 119.990 120.200 0.063 0.000 2.058 350 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 350 E C 0.914 177.552 176.600 0.065 0.000 0.997 350 E CA 1.699 58.135 56.400 0.060 0.000 0.801 350 E CB -0.042 29.675 29.700 0.029 0.000 0.746 350 E HN 0.331 nan 8.360 nan 0.000 0.450 351 D N -0.389 120.039 120.400 0.046 0.000 2.224 351 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 351 D C 1.545 177.891 176.300 0.076 0.000 0.965 351 D CA 0.418 54.437 54.000 0.031 0.000 0.852 351 D CB -0.275 40.502 40.800 -0.038 0.000 0.947 351 D HN 0.199 nan 8.370 nan 0.000 0.494 352 F N 1.349 121.284 119.950 -0.025 0.000 2.102 352 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 352 F C 2.150 177.965 175.800 0.024 0.000 1.105 352 F CA 1.263 59.263 58.000 0.000 0.000 1.239 352 F CB -0.107 38.873 39.000 -0.032 0.000 0.991 352 F HN -0.196 nan 8.300 nan 0.000 0.474 353 M N -0.037 119.654 119.600 0.153 0.000 2.080 353 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 353 M C 2.395 178.674 176.300 -0.035 0.000 1.068 353 M CA 1.761 57.097 55.300 0.061 0.000 1.109 353 M CB -1.771 30.902 32.600 0.122 0.000 1.342 353 M HN 0.123 nan 8.290 nan 0.000 0.405 354 S N 0.601 116.298 115.700 -0.004 0.000 2.370 354 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 354 S C 2.057 176.637 174.600 -0.034 0.000 1.033 354 S CA 1.449 59.644 58.200 -0.008 0.000 1.011 354 S CB -0.860 62.349 63.200 0.016 0.000 0.852 354 S HN 0.695 nan 8.310 nan 0.000 0.457 355 G N 1.685 110.451 108.800 -0.057 0.000 2.418 355 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 355 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 355 G C 1.660 176.476 174.900 -0.140 0.000 1.158 355 G CA 1.234 46.296 45.100 -0.063 0.000 0.771 355 G HN 0.556 nan 8.290 nan 0.000 0.545 356 V N -0.162 119.598 119.914 -0.257 0.000 2.407 356 V HA -0.062 4.058 4.120 -0.000 0.000 0.248 356 V C 2.517 178.541 176.094 -0.117 0.000 1.055 356 V CA 2.559 64.728 62.300 -0.218 0.000 1.049 356 V CB -0.642 31.025 31.823 -0.260 0.000 0.662 356 V HN 0.289 nan 8.190 nan 0.000 0.455 357 K N 0.496 120.839 120.400 -0.094 0.000 2.057 357 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 357 K C 1.809 178.371 176.600 -0.063 0.000 1.049 357 K CA 1.972 58.213 56.287 -0.077 0.000 0.931 357 K CB -0.731 31.738 32.500 -0.051 0.000 0.714 357 K HN 0.466 nan 8.250 nan 0.000 0.440 358 L N 0.527 121.727 121.223 -0.037 0.000 2.056 358 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 358 L C 2.217 179.091 176.870 0.007 0.000 1.078 358 L CA 1.695 56.534 54.840 -0.002 0.000 0.749 358 L CB -0.849 41.218 42.059 0.012 0.000 0.901 358 L HN 0.120 nan 8.230 nan 0.000 0.433 359 S N -1.510 114.179 115.700 -0.018 0.000 2.428 359 S HA 0.011 4.481 4.470 -0.000 0.000 0.230 359 S C 0.939 175.550 174.600 0.019 0.000 1.014 359 S CA 0.562 58.764 58.200 0.003 0.000 0.957 359 S CB 0.096 63.274 63.200 -0.037 0.000 0.784 359 S HN 0.160 nan 8.310 nan 0.000 0.499 360 V N 3.082 122.962 119.914 -0.056 0.000 2.361 360 V HA 0.206 4.326 4.120 -0.000 0.000 0.252 360 V C -1.784 174.176 176.094 -0.224 0.000 0.986 360 V CA -1.322 60.878 62.300 -0.167 0.000 1.033 360 V CB 0.908 32.583 31.823 -0.247 0.000 1.282 360 V HN 0.183 nan 8.190 nan 0.000 0.514 361 P HA -0.173 nan 4.420 nan 0.000 0.221 361 P C 0.985 177.964 177.300 -0.534 0.000 1.145 361 P CA 1.451 64.426 63.100 -0.209 0.000 0.795 361 P CB 0.061 31.800 31.700 0.064 0.000 0.775 362 H N -1.223 117.659 119.070 -0.313 0.000 2.526 362 H HA 0.519 5.075 4.556 -0.000 0.000 0.274 362 H C 0.424 175.629 175.328 -0.205 0.000 0.999 362 H CA -0.382 55.498 56.048 -0.280 0.000 1.157 362 H CB -0.490 29.258 29.762 -0.025 0.000 1.407 362 H HN -0.024 nan 8.280 nan 0.000 0.568 363 A N 2.122 124.642 122.820 -0.501 0.000 2.304 363 A HA 0.331 4.651 4.320 -0.000 0.000 0.301 363 A C 0.244 177.691 177.584 -0.229 0.000 1.132 363 A CA -0.626 51.199 52.037 -0.354 0.000 0.819 363 A CB 0.573 19.361 19.000 -0.354 0.000 1.094 363 A HN 0.619 nan 8.150 nan 0.000 0.492 364 N N 0.591 119.195 118.700 -0.161 0.000 2.379 364 N HA 0.129 4.869 4.740 -0.000 0.000 0.260 364 N C 0.295 175.749 175.510 -0.092 0.000 1.254 364 N CA -0.049 52.934 53.050 -0.112 0.000 0.958 364 N CB 0.182 38.620 38.487 -0.083 0.000 1.208 364 N HN 0.600 nan 8.380 nan 0.000 0.532 365 D N -0.978 119.385 120.400 -0.062 0.000 2.158 365 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 365 D C 1.533 177.818 176.300 -0.024 0.000 0.995 365 D CA 0.977 54.955 54.000 -0.038 0.000 0.846 365 D CB -0.058 40.729 40.800 -0.023 0.000 0.941 365 D HN 0.481 nan 8.370 nan 0.000 0.456 366 L N -0.168 121.036 121.223 -0.032 0.000 2.056 366 L HA 0.105 4.445 4.340 -0.000 0.000 0.207 366 L C 2.279 179.137 176.870 -0.019 0.000 1.078 366 L CA 2.150 56.979 54.840 -0.018 0.000 0.749 366 L CB -0.988 41.051 42.059 -0.033 0.000 0.901 366 L HN 0.147 nan 8.230 nan 0.000 0.433 367 G N -0.675 108.085 108.800 -0.066 0.000 2.432 367 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 367 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 367 G C 1.597 176.477 174.900 -0.032 0.000 1.135 367 G CA 0.994 46.042 45.100 -0.088 0.000 0.767 367 G HN 0.417 nan 8.290 nan 0.000 0.550 368 L N 0.411 121.613 121.223 -0.034 0.000 2.027 368 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 368 L C 2.512 179.420 176.870 0.063 0.000 1.074 368 L CA 1.168 56.006 54.840 -0.004 0.000 0.745 368 L CB -0.370 41.676 42.059 -0.023 0.000 0.898 368 L HN 0.091 nan 8.230 nan 0.000 0.433 369 D N 0.285 120.728 120.400 0.072 0.000 2.144 369 D HA -0.161 4.478 4.640 -0.000 0.000 0.199 369 D C 2.205 178.596 176.300 0.152 0.000 0.984 369 D CA 1.452 55.521 54.000 0.115 0.000 0.834 369 D CB -0.072 40.783 40.800 0.091 0.000 0.955 369 D HN 0.315 nan 8.370 nan 0.000 0.465 370 A N 0.685 123.604 122.820 0.166 0.000 1.877 370 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 370 A C 2.551 180.286 177.584 0.251 0.000 1.186 370 A CA 1.454 53.656 52.037 0.274 0.000 0.620 370 A CB -0.809 18.407 19.000 0.361 0.000 0.822 370 A HN 0.149 nan 8.150 nan 0.000 0.443 371 V N -0.285 119.779 119.914 0.250 0.000 2.295 371 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 371 V C 2.734 178.935 176.094 0.178 0.000 1.049 371 V CA 2.500 64.899 62.300 0.165 0.000 1.024 371 V CB -1.461 30.452 31.823 0.149 0.000 0.648 371 V HN 0.603 nan 8.190 nan 0.000 0.447 372 T N 0.697 115.369 114.554 0.197 0.000 2.652 372 T HA -0.233 4.116 4.350 -0.000 0.000 0.267 372 T C 1.922 176.772 174.700 0.250 0.000 1.039 372 T CA 2.105 64.381 62.100 0.294 0.000 1.153 372 T CB -0.442 68.603 68.868 0.295 0.000 0.863 372 T HN 0.313 nan 8.240 nan 0.000 0.428 373 L N 1.178 122.527 121.223 0.210 0.000 2.079 373 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 373 L C 2.434 179.312 176.870 0.013 0.000 1.081 373 L CA 1.821 56.782 54.840 0.201 0.000 0.752 373 L CB -0.791 41.375 42.059 0.179 0.000 0.896 373 L HN 0.154 nan 8.230 nan 0.000 0.433 374 Q N -1.473 118.234 119.800 -0.155 0.000 2.224 374 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 374 Q C 0.733 176.438 176.000 -0.491 0.000 0.970 374 Q CA 1.644 57.161 55.803 -0.477 0.000 0.865 374 Q CB -0.114 27.954 28.738 -1.117 0.000 0.922 374 Q HN 0.693 nan 8.270 nan 0.000 0.445 375 Y N -1.125 119.113 120.300 -0.104 0.000 2.696 375 Y HA 0.363 4.913 4.550 -0.000 0.000 0.260 375 Y C -0.451 175.406 175.900 -0.073 0.000 1.165 375 Y CA -0.348 57.748 58.100 -0.007 0.000 1.189 375 Y CB 1.100 39.652 38.460 0.154 0.000 1.180 375 Y HN -0.198 nan 8.280 nan 0.000 0.538 376 T N 0.506 114.989 114.554 -0.119 0.000 2.792 376 T HA 0.103 4.453 4.350 -0.000 0.000 0.280 376 T C -1.034 173.371 174.700 -0.493 0.000 0.990 376 T CA -0.699 61.122 62.100 -0.464 0.000 0.960 376 T CB 1.207 69.598 68.868 -0.795 0.000 0.939 376 T HN -0.003 nan 8.240 nan 0.000 0.439 377 D N 2.060 122.196 120.400 -0.440 0.000 2.422 377 D HA 0.107 4.747 4.640 -0.000 0.000 0.227 377 D C 0.125 176.233 176.300 -0.320 0.000 1.190 377 D CA -0.727 53.111 54.000 -0.270 0.000 0.905 377 D CB 0.352 41.047 40.800 -0.175 0.000 1.034 377 D HN 0.618 nan 8.370 nan 0.000 0.507 378 W N 2.980 124.240 121.300 -0.066 0.000 2.848 378 W HA 0.019 4.679 4.660 -0.000 0.000 0.241 378 W C 1.922 178.411 176.519 -0.049 0.000 1.289 378 W CA -0.078 57.232 57.345 -0.058 0.000 1.396 378 W CB 0.017 29.448 29.460 -0.047 0.000 1.138 378 W HN 0.397 nan 8.180 nan 0.000 0.677 379 M N -0.655 119.008 119.600 0.104 0.000 2.495 379 M HA 0.031 4.511 4.480 -0.000 0.000 0.237 379 M C -0.010 176.301 176.300 0.020 0.000 1.131 379 M CA 1.061 56.400 55.300 0.066 0.000 1.032 379 M CB 0.247 32.867 32.600 0.034 0.000 1.513 379 M HN -0.203 nan 8.290 nan 0.000 0.488 380 D N 0.019 120.402 120.400 -0.029 0.000 3.784 380 D HA -0.025 4.615 4.640 -0.000 0.000 0.261 380 D C 0.264 176.476 176.300 -0.148 0.000 1.391 380 D CA 0.036 53.997 54.000 -0.064 0.000 0.797 380 D CB 0.245 41.009 40.800 -0.060 0.000 1.391 380 D HN 0.198 nan 8.370 nan 0.000 0.734 381 D N -0.633 119.663 120.400 -0.174 0.000 2.310 381 D HA -0.124 4.516 4.640 -0.000 0.000 0.212 381 D C 0.600 176.746 176.300 -0.256 0.000 0.965 381 D CA 0.253 54.049 54.000 -0.340 0.000 0.879 381 D CB 0.158 40.715 40.800 -0.404 0.000 0.921 381 D HN 0.195 nan 8.370 nan 0.000 0.510 382 N N 0.743 119.359 118.700 -0.141 0.000 2.268 382 N HA -0.043 4.697 4.740 -0.000 0.000 0.204 382 N C 0.062 175.506 175.510 -0.110 0.000 1.124 382 N CA -0.136 52.848 53.050 -0.109 0.000 0.838 382 N CB -0.033 38.420 38.487 -0.056 0.000 0.994 382 N HN 0.169 nan 8.380 nan 0.000 0.489 383 N N 1.179 119.801 118.700 -0.130 0.000 2.406 383 N HA 0.018 4.758 4.740 -0.000 0.000 0.265 383 N C 1.309 176.751 175.510 -0.114 0.000 1.203 383 N CA 0.052 53.039 53.050 -0.105 0.000 0.945 383 N CB 0.841 39.269 38.487 -0.099 0.000 1.165 383 N HN 0.156 nan 8.380 nan 0.000 0.485 384 G N 4.431 113.173 108.800 -0.097 0.000 2.469 384 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 384 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 384 G C 1.584 176.427 174.900 -0.096 0.000 1.150 384 G CA 0.580 45.616 45.100 -0.108 0.000 0.763 384 G HN 0.692 nan 8.290 nan 0.000 0.561 385 I N 0.193 120.725 120.570 -0.065 0.000 2.202 385 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 385 I C 2.818 178.935 176.117 -0.001 0.000 1.091 385 I CA 1.220 62.504 61.300 -0.026 0.000 1.368 385 I CB -0.170 37.828 38.000 -0.003 0.000 1.058 385 I HN 0.125 nan 8.210 nan 0.000 0.410 386 K N 0.561 120.944 120.400 -0.030 0.000 2.097 386 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 386 K C 1.845 178.428 176.600 -0.028 0.000 1.049 386 K CA 1.233 57.503 56.287 -0.028 0.000 0.933 386 K CB -0.224 32.226 32.500 -0.083 0.000 0.717 386 K HN 0.300 nan 8.250 nan 0.000 0.442 387 N N 0.886 119.535 118.700 -0.085 0.000 2.188 387 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 387 N C 1.721 177.354 175.510 0.205 0.000 1.018 387 N CA 0.938 53.958 53.050 -0.050 0.000 0.858 387 N CB -0.139 38.276 38.487 -0.119 0.000 0.989 387 N HN 0.225 nan 8.380 nan 0.000 0.426 388 R N 1.059 121.618 120.500 0.098 0.000 2.062 388 R HA -0.086 4.253 4.340 -0.000 0.000 0.231 388 R C 0.873 177.346 176.300 0.288 0.000 1.136 388 R CA 1.486 57.681 56.100 0.158 0.000 0.948 388 R CB -0.045 30.250 30.300 -0.007 0.000 0.845 388 R HN 0.052 nan 8.270 nan 0.000 0.430 389 D N -0.374 120.158 120.400 0.220 0.000 2.144 389 D HA -0.100 4.539 4.640 -0.000 0.000 0.199 389 D C 1.727 178.175 176.300 0.246 0.000 0.984 389 D CA 1.466 55.608 54.000 0.235 0.000 0.834 389 D CB -0.535 40.375 40.800 0.183 0.000 0.955 389 D HN 0.528 nan 8.370 nan 0.000 0.465 390 G N 0.628 109.586 108.800 0.263 0.000 2.418 390 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 390 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 390 G C 1.599 176.655 174.900 0.259 0.000 1.158 390 G CA 0.275 45.575 45.100 0.333 0.000 0.771 390 G HN 0.185 nan 8.290 nan 0.000 0.545 391 L N 0.949 122.353 121.223 0.302 0.000 2.056 391 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 391 L C 2.359 179.279 176.870 0.083 0.000 1.078 391 L CA 2.061 56.974 54.840 0.121 0.000 0.749 391 L CB -0.525 41.683 42.059 0.249 0.000 0.901 391 L HN 0.268 nan 8.230 nan 0.000 0.433 392 D N -0.869 119.638 120.400 0.179 0.000 2.123 392 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 392 D C 1.699 178.072 176.300 0.122 0.000 0.992 392 D CA 1.468 55.568 54.000 0.168 0.000 0.833 392 D CB 0.017 40.971 40.800 0.257 0.000 0.954 392 D HN 0.308 nan 8.370 nan 0.000 0.455 393 D N -0.296 120.182 120.400 0.130 0.000 2.144 393 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 393 D C 2.337 178.622 176.300 -0.026 0.000 0.978 393 D CA 0.416 54.500 54.000 0.141 0.000 0.833 393 D CB -0.123 40.856 40.800 0.299 0.000 0.961 393 D HN 0.371 nan 8.370 nan 0.000 0.470 394 I N 0.644 121.051 120.570 -0.272 0.000 2.127 394 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 394 I C 2.454 178.447 176.117 -0.206 0.000 1.075 394 I CA 0.806 61.879 61.300 -0.378 0.000 1.334 394 I CB -0.217 37.556 38.000 -0.378 0.000 1.040 394 I HN -0.107 nan 8.210 nan 0.000 0.405 395 V N 0.944 120.787 119.914 -0.118 0.000 2.343 395 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 395 V C 2.536 178.551 176.094 -0.132 0.000 1.051 395 V CA 2.159 64.405 62.300 -0.089 0.000 1.036 395 V CB -1.324 30.512 31.823 0.022 0.000 0.654 395 V HN 0.583 nan 8.190 nan 0.000 0.451 396 G N -0.427 108.348 108.800 -0.042 0.000 2.402 396 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 396 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 396 G C 1.238 176.077 174.900 -0.101 0.000 1.162 396 G CA 0.902 45.993 45.100 -0.015 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.215 120.117 120.400 -0.113 0.000 2.117 397 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 397 D C 2.083 178.055 176.300 -0.547 0.000 0.982 397 D CA 1.226 55.122 54.000 -0.174 0.000 0.828 397 D CB -0.392 40.450 40.800 0.071 0.000 0.967 397 D HN 0.404 nan 8.370 nan 0.000 0.464 398 H N 1.038 119.479 119.070 -1.048 0.000 2.326 398 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 398 H C 1.550 176.499 175.328 -0.631 0.000 1.081 398 H CA 1.620 56.929 56.048 -1.231 0.000 1.334 398 H CB 0.025 28.926 29.762 -1.436 0.000 1.385 398 H HN -0.011 nan 8.280 nan 0.000 0.504 399 N N -0.625 117.640 118.700 -0.725 0.000 2.376 399 N HA -0.029 4.711 4.740 -0.000 0.000 0.177 399 N C 1.285 176.543 175.510 -0.420 0.000 1.024 399 N CA 1.198 53.765 53.050 -0.806 0.000 0.893 399 N CB 0.879 38.418 38.487 -1.581 0.000 0.980 399 N HN 0.271 nan 8.380 nan 0.000 0.439 400 V N 0.511 120.251 119.914 -0.290 0.000 3.278 400 V HA 0.144 4.263 4.120 -0.000 0.000 0.215 400 V C 2.104 178.176 176.094 -0.037 0.000 1.287 400 V CA -0.072 62.191 62.300 -0.061 0.000 1.302 400 V CB 0.029 31.891 31.823 0.065 0.000 1.228 400 V HN -0.059 nan 8.190 nan 0.000 0.523 401 I N 0.670 121.229 120.570 -0.018 0.000 2.076 401 I HA -0.317 3.853 4.170 -0.000 0.000 0.237 401 I C 2.592 178.716 176.117 0.011 0.000 1.059 401 I CA 2.089 63.403 61.300 0.022 0.000 1.317 401 I CB -0.506 37.539 38.000 0.075 0.000 1.037 401 I HN 0.391 nan 8.210 nan 0.000 0.398 402 c N 0.611 119.210 118.600 -0.003 0.000 2.425 402 c HA -0.053 4.517 4.570 -0.000 0.000 0.277 402 c C 0.242 174.364 174.090 0.055 0.000 1.280 402 c CA 0.731 57.098 56.329 0.063 0.000 1.744 402 c CB -1.882 40.704 42.510 0.127 0.000 1.989 402 c HN 0.379 nan 8.230 nan 0.000 0.491 403 P HA -0.083 nan 4.420 nan 0.000 0.218 403 P C 1.703 179.033 177.300 0.050 0.000 1.149 403 P CA 1.044 64.127 63.100 -0.027 0.000 0.817 403 P CB -0.160 31.430 31.700 -0.183 0.000 0.785 404 L N -1.987 119.245 121.223 0.015 0.000 2.109 404 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 404 L C 2.015 178.929 176.870 0.073 0.000 1.086 404 L CA 1.426 56.288 54.840 0.036 0.000 0.760 404 L CB -0.446 41.605 42.059 -0.014 0.000 0.910 404 L HN -0.109 nan 8.230 nan 0.000 0.437 405 M N -1.037 118.598 119.600 0.059 0.000 2.175 405 M HA -0.188 4.291 4.480 -0.000 0.000 0.264 405 M C 2.237 178.603 176.300 0.111 0.000 1.063 405 M CA 1.517 56.846 55.300 0.048 0.000 1.119 405 M CB -1.545 31.100 32.600 0.075 0.000 1.377 405 M HN 0.391 nan 8.290 nan 0.000 0.415 406 H N 0.038 119.148 119.070 0.067 0.000 2.319 406 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 406 H C 1.843 177.221 175.328 0.084 0.000 1.092 406 H CA 2.164 58.260 56.048 0.080 0.000 1.302 406 H CB -0.498 29.309 29.762 0.075 0.000 1.373 406 H HN 0.237 nan 8.280 nan 0.000 0.497 407 F N 0.122 120.018 119.950 -0.090 0.000 2.095 407 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 407 F C 2.628 178.349 175.800 -0.131 0.000 1.104 407 F CA 1.647 59.551 58.000 -0.159 0.000 1.232 407 F CB -1.009 37.910 39.000 -0.135 0.000 0.987 407 F HN 0.146 nan 8.300 nan 0.000 0.475 408 V N 1.087 120.914 119.914 -0.144 0.000 2.332 408 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 408 V C 2.219 178.196 176.094 -0.195 0.000 1.055 408 V CA 2.621 64.750 62.300 -0.286 0.000 1.038 408 V CB -0.637 30.933 31.823 -0.422 0.000 0.651 408 V HN 0.451 nan 8.190 nan 0.000 0.450 409 N N -0.174 118.479 118.700 -0.078 0.000 2.188 409 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 409 N C 1.815 177.316 175.510 -0.015 0.000 1.018 409 N CA 1.213 54.306 53.050 0.072 0.000 0.858 409 N CB -0.211 38.347 38.487 0.119 0.000 0.989 409 N HN 0.467 nan 8.380 nan 0.000 0.426 410 K N 0.345 120.657 120.400 -0.147 0.000 2.062 410 K HA -0.083 4.236 4.320 -0.000 0.000 0.205 410 K C 1.939 178.509 176.600 -0.052 0.000 1.051 410 K CA 0.496 56.714 56.287 -0.116 0.000 0.941 410 K CB -0.644 31.717 32.500 -0.232 0.000 0.719 410 K HN 0.252 nan 8.250 nan 0.000 0.440 411 Y N 2.515 122.574 120.300 -0.402 0.000 2.145 411 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 411 Y C 2.191 178.072 175.900 -0.032 0.000 1.145 411 Y CA 1.979 59.830 58.100 -0.415 0.000 1.148 411 Y CB -0.490 37.419 38.460 -0.919 0.000 0.981 411 Y HN 0.019 nan 8.280 nan 0.000 0.507 412 T N 0.993 115.572 114.554 0.042 0.000 2.869 412 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 412 T C 1.695 176.374 174.700 -0.035 0.000 1.082 412 T CA 1.366 63.513 62.100 0.078 0.000 1.123 412 T CB -0.150 68.860 68.868 0.237 0.000 0.856 412 T HN 0.211 nan 8.240 nan 0.000 0.499 413 K N 0.255 120.600 120.400 -0.092 0.000 2.283 413 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 413 K C 1.211 177.487 176.600 -0.540 0.000 1.048 413 K CA 1.065 57.168 56.287 -0.307 0.000 0.948 413 K CB -0.202 32.066 32.500 -0.386 0.000 0.742 413 K HN 0.464 nan 8.250 nan 0.000 0.458 414 F N -0.544 119.341 119.950 -0.108 0.000 2.778 414 F HA 0.242 4.769 4.527 -0.000 0.000 0.314 414 F C 1.559 177.236 175.800 -0.206 0.000 1.073 414 F CA -0.359 57.544 58.000 -0.161 0.000 1.218 414 F CB -0.261 38.596 39.000 -0.239 0.000 1.037 414 F HN -0.123 nan 8.300 nan 0.000 0.594 415 G N 0.150 108.848 108.800 -0.170 0.000 2.712 415 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.258 415 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.258 415 G C 0.472 175.391 174.900 0.032 0.000 1.241 415 G CA -0.177 44.823 45.100 -0.166 0.000 0.923 415 G HN 0.328 nan 8.290 nan 0.000 0.548 416 N N -0.484 118.291 118.700 0.126 0.000 2.235 416 N HA 0.274 5.014 4.740 -0.000 0.000 0.231 416 N C 0.248 175.832 175.510 0.124 0.000 1.177 416 N CA 0.423 53.533 53.050 0.099 0.000 0.874 416 N CB 0.416 38.957 38.487 0.090 0.000 1.097 416 N HN 0.879 nan 8.380 nan 0.000 0.518 417 G N 0.747 109.641 108.800 0.155 0.000 1.980 417 G HA2 0.020 3.980 3.960 -0.000 0.000 0.198 417 G HA3 0.020 3.980 3.960 -0.000 0.000 0.198 417 G C -1.275 173.706 174.900 0.136 0.000 1.587 417 G CA -0.679 44.492 45.100 0.119 0.000 0.975 417 G HN 0.018 nan 8.290 nan 0.000 0.682 418 T N 1.937 116.467 114.554 -0.040 0.000 2.824 418 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 418 T C -1.136 173.389 174.700 -0.292 0.000 0.993 418 T CA -0.277 61.808 62.100 -0.026 0.000 0.967 418 T CB 1.177 70.105 68.868 0.101 0.000 0.960 418 T HN 0.387 nan 8.240 nan 0.000 0.441 419 Y N 2.239 122.470 120.300 -0.114 0.000 2.338 419 Y HA 0.641 5.191 4.550 -0.000 0.000 0.333 419 Y C -0.439 175.491 175.900 0.051 0.000 0.968 419 Y CA -1.147 56.828 58.100 -0.208 0.000 1.123 419 Y CB 1.471 39.370 38.460 -0.934 0.000 1.165 419 Y HN 0.438 nan 8.280 nan 0.000 0.452 420 L N 5.827 127.372 121.223 0.537 0.000 2.334 420 L HA 0.648 4.988 4.340 -0.000 0.000 0.276 420 L C -1.252 176.065 176.870 0.744 0.000 1.014 420 L CA -1.011 54.088 54.840 0.431 0.000 0.815 420 L CB 0.885 43.041 42.059 0.161 0.000 1.268 420 L HN 0.533 nan 8.230 nan 0.000 0.428 421 Y N 3.032 123.640 120.300 0.514 0.000 2.605 421 Y HA 0.731 5.281 4.550 -0.000 0.000 0.343 421 Y C -1.788 174.371 175.900 0.433 0.000 1.036 421 Y CA -2.074 56.275 58.100 0.415 0.000 1.065 421 Y CB 1.337 39.991 38.460 0.325 0.000 1.288 421 Y HN 0.519 nan 8.280 nan 0.000 0.481 422 F N 4.188 124.462 119.950 0.541 0.000 2.646 422 F HA 0.432 4.959 4.527 -0.000 0.000 0.364 422 F C -1.833 174.261 175.800 0.489 0.000 1.137 422 F CA -1.843 56.401 58.000 0.408 0.000 1.085 422 F CB 0.506 39.729 39.000 0.371 0.000 1.331 422 F HN 0.556 nan 8.300 nan 0.000 0.472 423 F N 7.507 127.537 119.950 0.133 0.000 2.466 423 F HA 0.266 4.792 4.527 -0.000 0.000 0.363 423 F C 0.401 176.044 175.800 -0.261 0.000 1.109 423 F CA -0.119 57.887 58.000 0.010 0.000 1.161 423 F CB 0.477 39.552 39.000 0.125 0.000 1.117 423 F HN 0.531 nan 8.300 nan 0.000 0.539 424 N N 3.597 121.925 118.700 -0.621 0.000 2.517 424 N HA 0.075 4.815 4.740 -0.000 0.000 0.285 424 N C -1.255 174.008 175.510 -0.411 0.000 1.528 424 N CA -0.495 52.281 53.050 -0.456 0.000 0.892 424 N CB -0.601 37.761 38.487 -0.209 0.000 1.356 424 N HN 0.617 nan 8.380 nan 0.000 0.495 425 H N 0.540 119.066 119.070 -0.908 0.000 2.504 425 H HA 0.516 5.072 4.556 -0.000 0.000 0.322 425 H C -0.488 174.666 175.328 -0.289 0.000 1.055 425 H CA -0.659 55.033 56.048 -0.593 0.000 1.231 425 H CB 1.083 30.393 29.762 -0.753 0.000 1.417 425 H HN 0.140 nan 8.280 nan 0.000 0.472 426 R N 4.189 124.298 120.500 -0.651 0.000 2.196 426 R HA 0.519 4.858 4.340 -0.000 0.000 0.340 426 R C -0.757 175.252 176.300 -0.485 0.000 1.043 426 R CA -0.314 55.566 56.100 -0.366 0.000 0.883 426 R CB 0.103 30.278 30.300 -0.209 0.000 1.078 426 R HN 0.728 nan 8.270 nan 0.000 0.462 427 A N 3.396 126.181 122.820 -0.059 0.000 2.540 427 A HA 0.087 4.407 4.320 -0.000 0.000 0.239 427 A C 1.213 178.845 177.584 0.081 0.000 1.061 427 A CA 0.460 52.627 52.037 0.217 0.000 0.758 427 A CB 0.109 19.414 19.000 0.508 0.000 0.991 427 A HN 1.062 nan 8.150 nan 0.000 0.502 428 S N 1.385 117.160 115.700 0.125 0.000 2.442 428 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 428 S C 0.794 175.381 174.600 -0.021 0.000 1.007 428 S CA 1.220 59.448 58.200 0.047 0.000 0.965 428 S CB -0.469 62.780 63.200 0.082 0.000 0.773 428 S HN 0.952 nan 8.310 nan 0.000 0.504 429 N N 0.335 118.989 118.700 -0.078 0.000 2.328 429 N HA 0.303 5.043 4.740 -0.000 0.000 0.247 429 N C -0.479 174.975 175.510 -0.093 0.000 1.165 429 N CA -0.552 52.412 53.050 -0.144 0.000 0.873 429 N CB -0.431 37.865 38.487 -0.318 0.000 1.125 429 N HN 0.307 nan 8.380 nan 0.000 0.513 430 L N 1.186 122.400 121.223 -0.015 0.000 2.453 430 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 430 L C 1.333 178.195 176.870 -0.013 0.000 1.182 430 L CA 0.032 54.887 54.840 0.026 0.000 0.858 430 L CB 1.111 43.197 42.059 0.046 0.000 1.120 430 L HN 0.241 nan 8.230 nan 0.000 0.474 431 V N 0.484 120.365 119.914 -0.056 0.000 3.506 431 V HA 0.142 4.261 4.120 -0.000 0.000 0.263 431 V C 0.493 176.568 176.094 -0.032 0.000 1.203 431 V CA -0.404 61.827 62.300 -0.115 0.000 1.133 431 V CB -1.140 30.480 31.823 -0.338 0.000 0.802 431 V HN 0.641 nan 8.190 nan 0.000 0.459 432 W N 1.887 123.206 121.300 0.032 0.000 2.215 432 W HA 0.542 5.202 4.660 -0.000 0.000 0.342 432 W C -1.809 174.628 176.519 -0.137 0.000 1.237 432 W CA -2.200 55.132 57.345 -0.022 0.000 1.283 432 W CB -0.007 29.364 29.460 -0.148 0.000 1.131 432 W HN -0.027 nan 8.180 nan 0.000 0.606 433 P HA -0.076 nan 4.420 nan 0.000 0.269 433 P C 0.284 177.504 177.300 -0.134 0.000 1.215 433 P CA 0.264 63.336 63.100 -0.047 0.000 0.780 433 P CB 1.167 32.855 31.700 -0.019 0.000 0.898 434 E N 2.585 122.781 120.200 -0.007 0.000 2.130 434 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 434 E C 1.740 178.370 176.600 0.049 0.000 0.998 434 E CA 1.784 58.198 56.400 0.024 0.000 0.806 434 E CB -0.672 29.077 29.700 0.082 0.000 0.738 434 E HN 0.644 nan 8.360 nan 0.000 0.459 435 W N -0.306 121.041 121.300 0.078 0.000 2.392 435 W HA -0.137 4.523 4.660 -0.000 0.000 0.279 435 W C 1.373 177.953 176.519 0.101 0.000 1.225 435 W CA 0.597 57.997 57.345 0.092 0.000 1.233 435 W CB -0.835 28.689 29.460 0.107 0.000 1.122 435 W HN 0.079 nan 8.180 nan 0.000 0.561 436 M N 1.346 120.542 119.600 -0.674 0.000 2.460 436 M HA 0.082 4.562 4.480 -0.000 0.000 0.263 436 M C 1.798 177.974 176.300 -0.206 0.000 1.071 436 M CA 1.769 56.669 55.300 -0.666 0.000 1.096 436 M CB -0.824 31.228 32.600 -0.913 0.000 1.408 436 M HN 0.190 nan 8.290 nan 0.000 0.463 437 G N 0.408 109.144 108.800 -0.108 0.000 2.574 437 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.286 437 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.286 437 G C -0.184 174.691 174.900 -0.041 0.000 1.212 437 G CA -0.228 44.856 45.100 -0.027 0.000 0.979 437 G HN 0.208 nan 8.290 nan 0.000 0.557 438 V N 2.132 122.050 119.914 0.007 0.000 2.313 438 V HA 0.364 4.484 4.120 -0.000 0.000 0.252 438 V C 1.119 177.277 176.094 0.107 0.000 1.112 438 V CA -0.032 62.303 62.300 0.058 0.000 0.984 438 V CB -0.086 31.758 31.823 0.035 0.000 1.157 438 V HN 0.523 nan 8.190 nan 0.000 0.493 439 I N 3.053 123.661 120.570 0.063 0.000 2.754 439 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 439 I C 0.929 177.193 176.117 0.245 0.000 1.166 439 I CA -0.368 60.970 61.300 0.064 0.000 1.417 439 I CB 0.133 37.992 38.000 -0.234 0.000 1.382 439 I HN 0.569 nan 8.210 nan 0.000 0.588 440 H N 4.635 123.748 119.070 0.072 0.000 3.145 440 H HA 0.190 4.746 4.556 -0.000 0.000 0.288 440 H C 0.940 176.231 175.328 -0.062 0.000 0.969 440 H CA 1.018 57.086 56.048 0.034 0.000 1.444 440 H CB 0.033 29.807 29.762 0.020 0.000 1.500 440 H HN 0.769 nan 8.280 nan 0.000 0.552 441 G N 3.778 112.406 108.800 -0.287 0.000 2.194 441 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.236 441 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.236 441 G C 0.493 175.333 174.900 -0.099 0.000 0.987 441 G CA 0.279 45.184 45.100 -0.326 0.000 0.635 441 G HN 0.608 nan 8.290 nan 0.000 0.520 442 Y N 1.653 122.013 120.300 0.099 0.000 2.470 442 Y HA 0.254 4.804 4.550 -0.000 0.000 0.302 442 Y C 2.248 178.251 175.900 0.171 0.000 1.194 442 Y CA 0.868 59.108 58.100 0.234 0.000 1.271 442 Y CB 0.386 39.023 38.460 0.294 0.000 1.092 442 Y HN 0.523 nan 8.280 nan 0.000 0.513 443 E N -0.237 119.915 120.200 -0.080 0.000 2.415 443 E HA -0.027 4.322 4.350 -0.000 0.000 0.197 443 E C 1.604 178.102 176.600 -0.170 0.000 1.007 443 E CA 0.527 56.567 56.400 -0.600 0.000 0.890 443 E CB -0.410 28.622 29.700 -1.113 0.000 0.891 443 E HN 0.515 nan 8.360 nan 0.000 0.496 444 I N 2.684 123.252 120.570 -0.002 0.000 2.208 444 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 444 I C 2.602 178.755 176.117 0.059 0.000 1.097 444 I CA 2.080 63.431 61.300 0.086 0.000 1.363 444 I CB -0.443 37.654 38.000 0.162 0.000 1.051 444 I HN 0.212 nan 8.210 nan 0.000 0.413 445 E N 0.889 121.092 120.200 0.005 0.000 2.153 445 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 445 E C 2.013 178.462 176.600 -0.252 0.000 0.988 445 E CA 1.432 57.756 56.400 -0.126 0.000 0.811 445 E CB -0.487 29.141 29.700 -0.121 0.000 0.746 445 E HN 0.422 nan 8.360 nan 0.000 0.466 446 F N 1.195 121.039 119.950 -0.176 0.000 2.234 446 F HA -0.029 4.498 4.527 -0.000 0.000 0.296 446 F C 2.377 178.000 175.800 -0.295 0.000 1.089 446 F CA 0.500 58.360 58.000 -0.233 0.000 1.343 446 F CB -0.248 38.659 39.000 -0.156 0.000 1.040 446 F HN -0.144 nan 8.300 nan 0.000 0.498 447 V N -0.911 118.912 119.914 -0.152 0.000 2.407 447 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 447 V C 1.606 177.505 176.094 -0.324 0.000 1.055 447 V CA 1.634 63.706 62.300 -0.381 0.000 1.049 447 V CB -0.648 30.979 31.823 -0.327 0.000 0.662 447 V HN 0.199 nan 8.190 nan 0.000 0.455 448 F N 0.385 120.175 119.950 -0.266 0.000 2.692 448 F HA 0.427 4.954 4.527 -0.000 0.000 0.303 448 F C 1.785 177.459 175.800 -0.210 0.000 1.114 448 F CA 0.487 58.355 58.000 -0.220 0.000 1.361 448 F CB -0.302 38.554 39.000 -0.240 0.000 1.063 448 F HN 0.246 nan 8.300 nan 0.000 0.550 449 G N 0.061 108.757 108.800 -0.174 0.000 2.168 449 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 449 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 449 G C 1.245 175.828 174.900 -0.528 0.000 0.997 449 G CA 0.439 45.368 45.100 -0.286 0.000 0.708 449 G HN 0.276 nan 8.290 nan 0.000 0.520 450 L N 0.113 121.002 121.223 -0.558 0.000 2.081 450 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 450 L C 0.303 176.704 176.870 -0.782 0.000 1.080 450 L CA 2.717 57.161 54.840 -0.660 0.000 0.754 450 L CB -1.989 39.791 42.059 -0.465 0.000 0.893 450 L HN 0.222 nan 8.230 nan 0.000 0.433 451 P HA -0.113 nan 4.420 nan 0.000 0.228 451 P C 1.618 178.636 177.300 -0.469 0.000 1.151 451 P CA 0.733 63.176 63.100 -1.095 0.000 0.770 451 P CB 0.074 31.090 31.700 -1.140 0.000 0.786 452 L N -1.804 119.159 121.223 -0.435 0.000 2.554 452 L HA 0.020 4.360 4.340 -0.000 0.000 0.226 452 L C 1.017 177.753 176.870 -0.223 0.000 1.137 452 L CA 0.650 55.329 54.840 -0.269 0.000 0.863 452 L CB -0.435 41.493 42.059 -0.219 0.000 0.985 452 L HN -0.119 nan 8.230 nan 0.000 0.451 453 V N -0.245 119.499 119.914 -0.284 0.000 2.348 453 V HA 0.204 4.324 4.120 -0.000 0.000 0.270 453 V C 1.422 177.471 176.094 -0.076 0.000 1.037 453 V CA -0.594 61.603 62.300 -0.172 0.000 0.872 453 V CB 0.845 32.537 31.823 -0.218 0.000 1.002 453 V HN 0.169 nan 8.190 nan 0.000 0.464 454 K N 4.317 124.689 120.400 -0.046 0.000 2.052 454 K HA -0.196 4.124 4.320 -0.000 0.000 0.215 454 K C 1.906 178.495 176.600 -0.017 0.000 1.053 454 K CA 2.339 58.613 56.287 -0.021 0.000 0.934 454 K CB -0.240 32.248 32.500 -0.020 0.000 0.717 454 K HN 0.978 nan 8.250 nan 0.000 0.450 455 E N 1.099 121.283 120.200 -0.026 0.000 2.273 455 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 455 E C 1.956 178.531 176.600 -0.041 0.000 1.002 455 E CA 0.852 57.233 56.400 -0.033 0.000 0.828 455 E CB -0.577 29.103 29.700 -0.033 0.000 0.747 455 E HN 0.378 nan 8.360 nan 0.000 0.491 456 L N 0.361 121.570 121.223 -0.023 0.000 2.552 456 L HA 0.021 4.361 4.340 -0.000 0.000 0.227 456 L C 0.219 177.023 176.870 -0.109 0.000 1.146 456 L CA 0.413 55.236 54.840 -0.028 0.000 0.858 456 L CB -0.918 41.210 42.059 0.115 0.000 0.969 456 L HN 0.174 nan 8.230 nan 0.000 0.451 457 N N -1.691 116.976 118.700 -0.054 0.000 2.725 457 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 457 N C -0.510 174.940 175.510 -0.100 0.000 1.103 457 N CA 0.136 53.139 53.050 -0.079 0.000 0.707 457 N CB -1.027 37.392 38.487 -0.114 0.000 1.043 457 N HN 0.268 nan 8.380 nan 0.000 0.553 458 Y N 0.959 121.223 120.300 -0.060 0.000 2.314 458 Y HA 0.139 4.689 4.550 -0.000 0.000 0.334 458 Y C 1.764 177.662 175.900 -0.003 0.000 1.266 458 Y CA 0.105 58.186 58.100 -0.032 0.000 1.391 458 Y CB 0.564 38.967 38.460 -0.096 0.000 1.306 458 Y HN 0.009 nan 8.280 nan 0.000 0.558 459 T N -1.549 113.129 114.554 0.206 0.000 2.766 459 T HA 0.347 4.697 4.350 -0.000 0.000 0.295 459 T C 1.229 175.995 174.700 0.111 0.000 1.024 459 T CA -0.314 61.865 62.100 0.132 0.000 1.018 459 T CB 1.093 70.043 68.868 0.138 0.000 1.002 459 T HN 0.768 nan 8.240 nan 0.000 0.532 460 A N 1.118 123.979 122.820 0.068 0.000 1.933 460 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 460 A C 2.317 179.925 177.584 0.040 0.000 1.175 460 A CA 1.352 53.413 52.037 0.042 0.000 0.628 460 A CB -0.731 18.285 19.000 0.027 0.000 0.814 460 A HN 0.944 nan 8.150 nan 0.000 0.444 461 E N 0.512 120.744 120.200 0.053 0.000 2.274 461 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 461 E C 1.372 177.997 176.600 0.042 0.000 0.996 461 E CA 1.202 57.622 56.400 0.033 0.000 0.840 461 E CB -0.500 29.217 29.700 0.029 0.000 0.772 461 E HN 0.797 nan 8.360 nan 0.000 0.491 462 E N 0.988 121.261 120.200 0.123 0.000 2.216 462 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 462 E C 2.025 178.700 176.600 0.123 0.000 0.988 462 E CA 0.552 57.102 56.400 0.249 0.000 0.834 462 E CB 0.063 30.040 29.700 0.462 0.000 0.772 462 E HN 0.362 nan 8.360 nan 0.000 0.479 463 E N 0.862 121.074 120.200 0.020 0.000 2.072 463 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 463 E C 2.018 178.593 176.600 -0.041 0.000 0.985 463 E CA 0.893 57.253 56.400 -0.067 0.000 0.801 463 E CB 0.001 29.668 29.700 -0.055 0.000 0.750 463 E HN 0.193 nan 8.360 nan 0.000 0.452 464 A N 1.173 123.984 122.820 -0.015 0.000 1.930 464 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 464 A C 2.119 179.687 177.584 -0.026 0.000 1.175 464 A CA 1.183 53.203 52.037 -0.029 0.000 0.627 464 A CB -0.593 18.393 19.000 -0.024 0.000 0.815 464 A HN 0.384 nan 8.150 nan 0.000 0.443 465 L N -0.192 121.036 121.223 0.009 0.000 2.017 465 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 465 L C 2.524 179.438 176.870 0.073 0.000 1.073 465 L CA 2.672 57.522 54.840 0.017 0.000 0.745 465 L CB -0.967 41.079 42.059 -0.022 0.000 0.894 465 L HN 0.321 nan 8.230 nan 0.000 0.432 466 S N -0.682 115.107 115.700 0.148 0.000 2.359 466 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 466 S C 2.189 176.753 174.600 -0.059 0.000 1.035 466 S CA 1.471 59.706 58.200 0.059 0.000 1.018 466 S CB -0.242 62.874 63.200 -0.140 0.000 0.876 466 S HN 0.550 nan 8.310 nan 0.000 0.448 467 R N 0.727 121.185 120.500 -0.069 0.000 2.081 467 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 467 R C 2.643 178.887 176.300 -0.094 0.000 1.131 467 R CA 1.741 57.792 56.100 -0.080 0.000 0.960 467 R CB -0.317 29.933 30.300 -0.083 0.000 0.856 467 R HN 0.598 nan 8.270 nan 0.000 0.436 468 R N 0.277 120.695 120.500 -0.136 0.000 2.148 468 R HA 0.001 4.341 4.340 -0.000 0.000 0.223 468 R C 1.986 178.090 176.300 -0.326 0.000 1.088 468 R CA 1.112 57.041 56.100 -0.285 0.000 0.985 468 R CB -0.407 29.693 30.300 -0.334 0.000 0.880 468 R HN 0.203 nan 8.270 nan 0.000 0.451 469 I N 1.198 121.702 120.570 -0.110 0.000 2.286 469 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 469 I C 2.577 178.656 176.117 -0.063 0.000 1.104 469 I CA 1.298 62.579 61.300 -0.031 0.000 1.397 469 I CB -0.157 37.700 38.000 -0.238 0.000 1.072 469 I HN 0.158 nan 8.210 nan 0.000 0.417 470 M N -0.494 119.035 119.600 -0.118 0.000 2.117 470 M HA -0.260 4.220 4.480 -0.000 0.000 0.262 470 M C 2.437 178.799 176.300 0.103 0.000 1.065 470 M CA 1.783 57.038 55.300 -0.074 0.000 1.114 470 M CB -0.717 31.832 32.600 -0.085 0.000 1.361 470 M HN 0.261 nan 8.290 nan 0.000 0.408 471 H N -0.361 118.701 119.070 -0.014 0.000 2.387 471 H HA -0.160 4.395 4.556 -0.000 0.000 0.299 471 H C 1.566 177.001 175.328 0.179 0.000 1.090 471 H CA 1.933 57.992 56.048 0.018 0.000 1.332 471 H CB -0.022 29.692 29.762 -0.081 0.000 1.386 471 H HN 0.275 nan 8.280 nan 0.000 0.516 472 Y N -0.828 119.632 120.300 0.267 0.000 2.114 472 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 472 Y C 2.570 178.658 175.900 0.313 0.000 1.143 472 Y CA 1.073 59.367 58.100 0.323 0.000 1.135 472 Y CB -1.070 37.767 38.460 0.628 0.000 0.980 472 Y HN 0.360 nan 8.280 nan 0.000 0.499 473 W N -0.431 120.959 121.300 0.150 0.000 2.333 473 W HA -0.248 4.412 4.660 -0.000 0.000 0.316 473 W C 2.620 179.130 176.519 -0.015 0.000 1.215 473 W CA 1.215 58.574 57.345 0.024 0.000 1.278 473 W CB -0.591 28.821 29.460 -0.080 0.000 1.154 473 W HN 0.068 nan 8.180 nan 0.000 0.486 474 A N 0.255 123.179 122.820 0.173 0.000 1.877 474 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 474 A C 1.812 179.369 177.584 -0.045 0.000 1.186 474 A CA 2.501 54.550 52.037 0.020 0.000 0.620 474 A CB -1.335 17.665 19.000 -0.001 0.000 0.822 474 A HN 0.230 nan 8.150 nan 0.000 0.443 475 T N -0.688 113.797 114.554 -0.114 0.000 2.759 475 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 475 T C 1.594 176.233 174.700 -0.101 0.000 1.042 475 T CA 1.626 63.625 62.100 -0.169 0.000 1.140 475 T CB -0.401 68.299 68.868 -0.279 0.000 0.864 475 T HN 0.505 nan 8.240 nan 0.000 0.455 476 F N 2.208 122.044 119.950 -0.190 0.000 2.146 476 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 476 F C 2.410 178.104 175.800 -0.176 0.000 1.096 476 F CA 0.832 58.682 58.000 -0.250 0.000 1.275 476 F CB -0.658 38.125 39.000 -0.362 0.000 1.008 476 F HN 0.135 nan 8.300 nan 0.000 0.480 477 A N 0.678 123.396 122.820 -0.170 0.000 1.908 477 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 477 A C 2.254 179.695 177.584 -0.238 0.000 1.181 477 A CA 2.017 53.922 52.037 -0.220 0.000 0.627 477 A CB -0.674 18.275 19.000 -0.086 0.000 0.818 477 A HN 0.497 nan 8.150 nan 0.000 0.445 478 K N -1.125 119.170 120.400 -0.176 0.000 2.062 478 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 478 K C 1.953 178.456 176.600 -0.163 0.000 1.051 478 K CA 1.774 57.978 56.287 -0.137 0.000 0.941 478 K CB -0.193 32.249 32.500 -0.095 0.000 0.719 478 K HN 0.703 nan 8.250 nan 0.000 0.440 479 T N -4.417 110.013 114.554 -0.207 0.000 2.959 479 T HA 0.248 4.597 4.350 -0.000 0.000 0.254 479 T C 1.247 175.802 174.700 -0.241 0.000 1.003 479 T CA 0.394 62.386 62.100 -0.181 0.000 0.950 479 T CB 1.022 69.816 68.868 -0.124 0.000 1.090 479 T HN 0.301 nan 8.240 nan 0.000 0.503 480 G N 1.502 110.028 108.800 -0.456 0.000 2.141 480 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.231 480 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.231 480 G C -0.225 174.550 174.900 -0.209 0.000 0.984 480 G CA -0.012 44.757 45.100 -0.551 0.000 0.660 480 G HN 0.841 nan 8.290 nan 0.000 0.525 481 N N -0.286 118.299 118.700 -0.192 0.000 2.542 481 N HA 0.394 5.134 4.740 -0.000 0.000 0.288 481 N C -1.631 173.729 175.510 -0.250 0.000 1.115 481 N CA -1.316 51.597 53.050 -0.229 0.000 0.924 481 N CB 2.380 40.825 38.487 -0.070 0.000 1.526 481 N HN -0.066 nan 8.380 nan 0.000 0.515 482 P HA -0.065 nan 4.420 nan 0.000 0.225 482 P C -0.451 176.879 177.300 0.050 0.000 1.148 482 P CA 0.704 63.681 63.100 -0.205 0.000 0.779 482 P CB 0.335 31.702 31.700 -0.554 0.000 0.780 483 N N 1.280 119.971 118.700 -0.016 0.000 2.518 483 N HA 0.139 4.879 4.740 -0.000 0.000 0.283 483 N C 0.057 175.602 175.510 0.057 0.000 1.119 483 N CA -0.180 52.943 53.050 0.121 0.000 0.983 483 N CB 1.110 39.676 38.487 0.131 0.000 1.139 483 N HN 0.160 nan 8.380 nan 0.000 0.465 484 E N 2.407 122.657 120.200 0.083 0.000 2.146 484 E HA 0.223 4.573 4.350 -0.000 0.000 0.282 484 E C -1.971 174.588 176.600 -0.069 0.000 0.989 484 E CA -1.628 54.778 56.400 0.009 0.000 0.799 484 E CB 1.025 30.768 29.700 0.072 0.000 1.088 484 E HN 0.352 nan 8.360 nan 0.000 0.397 485 P HA -0.154 nan 4.420 nan 0.000 0.269 485 P C -0.298 176.705 177.300 -0.495 0.000 1.205 485 P CA 0.293 63.244 63.100 -0.250 0.000 0.780 485 P CB 0.111 31.663 31.700 -0.247 0.000 0.858 486 H N -1.445 117.663 119.070 0.063 0.000 2.404 486 H HA -0.145 4.411 4.556 -0.000 0.000 0.323 486 H C -0.500 174.864 175.328 0.059 0.000 1.029 486 H CA 0.413 56.494 56.048 0.056 0.000 1.111 486 H CB -2.730 27.058 29.762 0.044 0.000 1.524 486 H HN 0.430 nan 8.280 nan 0.000 0.394 487 S N -2.016 113.738 115.700 0.090 0.000 2.638 487 S HA 0.442 4.912 4.470 -0.000 0.000 0.298 487 S C 1.003 175.666 174.600 0.105 0.000 1.111 487 S CA -0.711 57.550 58.200 0.103 0.000 1.027 487 S CB 2.326 65.569 63.200 0.073 0.000 1.064 487 S HN 0.306 nan 8.310 nan 0.000 0.525 488 Q N 0.522 120.377 119.800 0.092 0.000 2.187 488 Q HA 0.191 4.530 4.340 -0.000 0.000 0.199 488 Q C -0.127 175.920 176.000 0.080 0.000 0.957 488 Q CA 1.008 56.858 55.803 0.079 0.000 0.857 488 Q CB -0.416 28.359 28.738 0.062 0.000 0.929 488 Q HN 0.786 nan 8.270 nan 0.000 0.453 489 E N 0.761 121.012 120.200 0.086 0.000 2.459 489 E HA 0.031 4.381 4.350 -0.000 0.000 0.264 489 E C -0.260 176.414 176.600 0.123 0.000 1.055 489 E CA 0.213 56.672 56.400 0.099 0.000 0.957 489 E CB 0.336 30.103 29.700 0.111 0.000 0.952 489 E HN 0.204 nan 8.360 nan 0.000 0.448 490 S N 2.469 118.241 115.700 0.121 0.000 2.563 490 S HA 0.064 4.534 4.470 -0.000 0.000 0.284 490 S C -0.007 174.702 174.600 0.183 0.000 1.331 490 S CA -0.521 57.754 58.200 0.125 0.000 1.047 490 S CB 0.538 63.797 63.200 0.098 0.000 0.859 490 S HN 0.206 nan 8.310 nan 0.000 0.514 491 K N 1.561 122.065 120.400 0.173 0.000 2.156 491 K HA 0.158 4.478 4.320 -0.000 0.000 0.271 491 K C -0.493 176.280 176.600 0.288 0.000 0.995 491 K CA -0.391 56.033 56.287 0.229 0.000 0.890 491 K CB 0.855 33.467 32.500 0.187 0.000 1.073 491 K HN 0.854 nan 8.250 nan 0.000 0.454 492 W N 7.348 128.714 121.300 0.111 0.000 2.481 492 W HA 0.156 4.816 4.660 -0.000 0.000 0.320 492 W C -2.273 174.371 176.519 0.208 0.000 1.209 492 W CA -2.494 54.910 57.345 0.099 0.000 1.400 492 W CB -0.122 29.311 29.460 -0.045 0.000 1.361 492 W HN 0.372 nan 8.180 nan 0.000 0.456 493 P HA 0.092 nan 4.420 nan 0.000 0.274 493 P C -0.157 177.316 177.300 0.288 0.000 1.231 493 P CA -0.172 63.136 63.100 0.346 0.000 0.790 493 P CB 1.603 33.426 31.700 0.206 0.000 0.951 494 L N 1.951 123.188 121.223 0.024 0.000 2.461 494 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 494 L C 0.855 177.696 176.870 -0.048 0.000 1.197 494 L CA -0.488 54.181 54.840 -0.286 0.000 0.836 494 L CB -0.145 41.754 42.059 -0.267 0.000 1.105 494 L HN 0.347 nan 8.230 nan 0.000 0.477 495 F N 2.462 122.304 119.950 -0.180 0.000 2.424 495 F HA 0.317 4.844 4.527 -0.000 0.000 0.356 495 F C 0.434 176.208 175.800 -0.043 0.000 1.110 495 F CA -0.550 57.438 58.000 -0.020 0.000 1.161 495 F CB 0.871 39.890 39.000 0.031 0.000 1.115 495 F HN 0.446 nan 8.300 nan 0.000 0.507 496 T N 1.159 115.407 114.554 -0.510 0.000 2.885 496 T HA 0.180 4.530 4.350 -0.000 0.000 0.285 496 T C 0.946 175.360 174.700 -0.476 0.000 1.019 496 T CA -0.106 61.798 62.100 -0.327 0.000 1.010 496 T CB 1.529 70.277 68.868 -0.200 0.000 1.022 496 T HN 0.667 nan 8.240 nan 0.000 0.466 497 T N 0.253 114.686 114.554 -0.203 0.000 2.778 497 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 497 T C 1.586 176.192 174.700 -0.157 0.000 1.050 497 T CA 1.997 64.020 62.100 -0.128 0.000 1.137 497 T CB -0.492 68.342 68.868 -0.057 0.000 0.860 497 T HN 0.753 nan 8.240 nan 0.000 0.468 498 K N -0.213 120.092 120.400 -0.159 0.000 2.029 498 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 498 K C 2.235 178.753 176.600 -0.136 0.000 1.042 498 K CA 1.342 57.558 56.287 -0.118 0.000 0.949 498 K CB -0.003 32.443 32.500 -0.089 0.000 0.740 498 K HN 0.403 nan 8.250 nan 0.000 0.442 499 E N 0.363 120.455 120.200 -0.179 0.000 2.385 499 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 499 E C -0.454 176.017 176.600 -0.215 0.000 1.013 499 E CA -0.001 56.307 56.400 -0.152 0.000 0.866 499 E CB 0.427 30.059 29.700 -0.114 0.000 0.832 499 E HN 0.249 nan 8.360 nan 0.000 0.500 500 Q N 1.117 120.617 119.800 -0.500 0.000 2.423 500 Q HA -0.228 4.112 4.340 -0.000 0.000 0.332 500 Q C -0.845 175.051 176.000 -0.175 0.000 1.355 500 Q CA 0.589 55.890 55.803 -0.836 0.000 0.947 500 Q CB -1.351 27.217 28.738 -0.284 0.000 1.189 500 Q HN 0.204 nan 8.270 nan 0.000 0.418 501 K N 0.666 121.009 120.400 -0.096 0.000 2.154 501 K HA 0.614 4.934 4.320 -0.000 0.000 0.264 501 K C -0.043 176.870 176.600 0.520 0.000 1.008 501 K CA -0.091 56.298 56.287 0.170 0.000 0.937 501 K CB 0.567 33.111 32.500 0.073 0.000 1.002 501 K HN 0.250 nan 8.250 nan 0.000 0.469 502 F N -0.253 119.877 119.950 0.300 0.000 2.693 502 F HA 0.529 5.056 4.527 -0.000 0.000 0.309 502 F C -1.249 174.659 175.800 0.180 0.000 1.129 502 F CA -1.466 56.738 58.000 0.339 0.000 0.948 502 F CB 0.696 39.904 39.000 0.347 0.000 1.315 502 F HN 0.427 nan 8.300 nan 0.000 0.447 503 I N -0.352 120.319 120.570 0.168 0.000 2.750 503 I HA 0.659 4.828 4.170 -0.000 0.000 0.308 503 I C -0.943 175.298 176.117 0.207 0.000 1.016 503 I CA -0.820 60.422 61.300 -0.097 0.000 1.098 503 I CB 1.792 39.527 38.000 -0.441 0.000 1.279 503 I HN 0.460 nan 8.210 nan 0.000 0.454 504 D N 3.174 123.677 120.400 0.171 0.000 2.283 504 D HA 0.461 5.101 4.640 -0.000 0.000 0.248 504 D C -0.897 175.485 176.300 0.136 0.000 1.072 504 D CA 0.035 54.238 54.000 0.338 0.000 0.929 504 D CB 2.114 43.117 40.800 0.338 0.000 1.182 504 D HN 0.251 nan 8.370 nan 0.000 0.433 505 L N 2.894 124.199 121.223 0.138 0.000 2.366 505 L HA 0.285 4.625 4.340 -0.000 0.000 0.266 505 L C -0.665 176.133 176.870 -0.120 0.000 1.010 505 L CA -0.405 54.467 54.840 0.054 0.000 0.879 505 L CB 0.031 42.202 42.059 0.186 0.000 1.228 505 L HN 0.475 nan 8.230 nan 0.000 0.439 506 N N -0.599 118.031 118.700 -0.116 0.000 3.439 506 N HA 0.355 5.095 4.740 -0.000 0.000 0.313 506 N C 0.482 175.881 175.510 -0.186 0.000 1.598 506 N CA -0.096 52.821 53.050 -0.221 0.000 0.830 506 N CB 0.337 38.752 38.487 -0.120 0.000 1.849 506 N HN 0.065 nan 8.380 nan 0.000 0.598 507 T N -3.358 111.059 114.554 -0.229 0.000 3.085 507 T HA 0.128 4.477 4.350 -0.000 0.000 0.263 507 T C 0.130 174.799 174.700 -0.052 0.000 1.127 507 T CA 0.588 62.596 62.100 -0.154 0.000 1.103 507 T CB -0.439 68.334 68.868 -0.159 0.000 0.921 507 T HN 0.494 nan 8.240 nan 0.000 0.510 508 E N 1.932 122.118 120.200 -0.024 0.000 2.312 508 E HA 0.361 4.711 4.350 -0.000 0.000 0.259 508 E C -2.493 174.111 176.600 0.006 0.000 1.122 508 E CA -2.440 53.962 56.400 0.004 0.000 0.922 508 E CB 0.263 29.978 29.700 0.024 0.000 1.109 508 E HN 0.158 nan 8.360 nan 0.000 0.442 509 P HA -0.088 nan 4.420 nan 0.000 0.268 509 P C -0.434 176.871 177.300 0.008 0.000 1.208 509 P CA 0.277 63.386 63.100 0.014 0.000 0.777 509 P CB 0.404 32.112 31.700 0.014 0.000 0.875 510 M N 2.627 122.234 119.600 0.011 0.000 2.250 510 M HA -0.004 4.476 4.480 -0.000 0.000 0.337 510 M C -0.350 175.911 176.300 -0.065 0.000 1.161 510 M CA 1.152 56.443 55.300 -0.015 0.000 1.088 510 M CB 0.033 32.638 32.600 0.010 0.000 1.639 510 M HN 0.199 nan 8.290 nan 0.000 0.447 511 K N 3.846 124.164 120.400 -0.137 0.000 2.443 511 K HA 0.531 4.851 4.320 -0.000 0.000 0.252 511 K C -1.611 174.698 176.600 -0.486 0.000 0.933 511 K CA -0.868 55.250 56.287 -0.282 0.000 0.792 511 K CB 2.481 34.811 32.500 -0.284 0.000 1.185 511 K HN 0.476 nan 8.250 nan 0.000 0.425 512 V N 4.186 123.812 119.914 -0.480 0.000 2.427 512 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 512 V C -0.110 175.584 176.094 -0.666 0.000 1.034 512 V CA -0.555 61.468 62.300 -0.462 0.000 0.893 512 V CB 1.027 32.726 31.823 -0.206 0.000 0.982 512 V HN 0.705 nan 8.190 nan 0.000 0.452 513 H N 3.073 121.811 119.070 -0.553 0.000 2.869 513 H HA 0.685 5.241 4.556 -0.000 0.000 0.342 513 H C -0.939 174.096 175.328 -0.489 0.000 1.250 513 H CA -0.846 54.830 56.048 -0.620 0.000 1.217 513 H CB 2.059 31.210 29.762 -1.019 0.000 1.917 513 H HN 0.575 nan 8.280 nan 0.000 0.586 514 Q N 0.301 120.097 119.800 -0.007 0.000 2.379 514 Q HA 0.362 4.702 4.340 -0.000 0.000 0.278 514 Q C -0.668 175.539 176.000 0.345 0.000 1.068 514 Q CA -0.872 55.038 55.803 0.180 0.000 0.816 514 Q CB 2.964 31.747 28.738 0.075 0.000 1.387 514 Q HN 0.493 nan 8.270 nan 0.000 0.413 515 R N 0.910 121.636 120.500 0.377 0.000 3.152 515 R HA -0.197 4.143 4.340 -0.000 0.000 0.252 515 R C -0.476 175.981 176.300 0.262 0.000 0.930 515 R CA -0.126 56.147 56.100 0.288 0.000 0.642 515 R CB -1.592 28.810 30.300 0.171 0.000 1.205 515 R HN 0.521 nan 8.270 nan 0.000 0.452 516 L N 2.262 123.601 121.223 0.193 0.000 2.737 516 L HA -0.061 4.279 4.340 -0.000 0.000 0.275 516 L C 0.862 177.694 176.870 -0.063 0.000 1.179 516 L CA 0.849 55.566 54.840 -0.206 0.000 0.970 516 L CB -0.305 41.289 42.059 -0.774 0.000 1.268 516 L HN 0.445 nan 8.230 nan 0.000 0.485 517 R N 2.097 122.575 120.500 -0.037 0.000 3.387 517 R HA -0.204 4.136 4.340 -0.000 0.000 0.254 517 R C 1.296 177.653 176.300 0.095 0.000 1.006 517 R CA 0.629 56.749 56.100 0.035 0.000 0.677 517 R CB -2.065 28.267 30.300 0.054 0.000 1.063 517 R HN 0.790 nan 8.270 nan 0.000 0.453 518 V N -3.085 116.887 119.914 0.096 0.000 2.332 518 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 518 V C 2.281 178.445 176.094 0.117 0.000 1.055 518 V CA 2.155 64.524 62.300 0.116 0.000 1.038 518 V CB -0.464 31.422 31.823 0.104 0.000 0.651 518 V HN 0.338 nan 8.190 nan 0.000 0.450 519 Q N -0.109 119.742 119.800 0.085 0.000 2.014 519 Q HA -0.186 4.154 4.340 -0.000 0.000 0.207 519 Q C 2.205 178.264 176.000 0.099 0.000 0.993 519 Q CA 2.464 58.303 55.803 0.060 0.000 0.850 519 Q CB -0.451 28.293 28.738 0.010 0.000 0.916 519 Q HN 0.560 nan 8.270 nan 0.000 0.417 520 M N -0.975 118.704 119.600 0.132 0.000 2.175 520 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 520 M C 2.413 178.995 176.300 0.471 0.000 1.063 520 M CA 1.003 56.456 55.300 0.254 0.000 1.119 520 M CB -1.280 31.534 32.600 0.358 0.000 1.377 520 M HN 0.348 nan 8.290 nan 0.000 0.415 521 c N -0.382 118.443 118.600 0.376 0.000 2.432 521 c HA -0.041 4.529 4.570 -0.000 0.000 0.280 521 c C 2.938 177.215 174.090 0.311 0.000 1.353 521 c CA 0.278 56.837 56.329 0.383 0.000 1.766 521 c CB -0.916 41.747 42.510 0.256 0.000 1.924 521 c HN 0.327 nan 8.230 nan 0.000 0.509 522 V N 0.419 120.478 119.914 0.241 0.000 2.427 522 V HA -0.207 3.912 4.120 -0.000 0.000 0.248 522 V C 2.029 178.250 176.094 0.211 0.000 1.051 522 V CA 2.088 64.501 62.300 0.189 0.000 1.048 522 V CB -0.773 31.133 31.823 0.137 0.000 0.666 522 V HN 0.566 nan 8.190 nan 0.000 0.456 523 F N -0.029 119.961 119.950 0.067 0.000 2.075 523 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 523 F C 1.988 177.778 175.800 -0.015 0.000 1.113 523 F CA 1.720 59.710 58.000 -0.016 0.000 1.218 523 F CB -0.389 38.480 39.000 -0.218 0.000 0.984 523 F HN 0.161 nan 8.300 nan 0.000 0.472 524 W N 0.652 122.071 121.300 0.198 0.000 2.409 524 W HA -0.113 4.547 4.660 -0.000 0.000 0.299 524 W C 2.158 178.659 176.519 -0.030 0.000 1.203 524 W CA 0.948 58.329 57.345 0.059 0.000 1.298 524 W CB -0.578 29.024 29.460 0.237 0.000 1.127 524 W HN -0.041 nan 8.180 nan 0.000 0.528 525 N N -0.546 118.285 118.700 0.219 0.000 2.415 525 N HA -0.035 4.705 4.740 -0.000 0.000 0.176 525 N C 1.364 176.876 175.510 0.004 0.000 1.042 525 N CA 0.994 54.077 53.050 0.056 0.000 0.902 525 N CB -0.097 38.431 38.487 0.069 0.000 0.986 525 N HN 0.403 nan 8.380 nan 0.000 0.447 526 Q N -1.160 118.662 119.800 0.037 0.000 2.652 526 Q HA 0.193 4.533 4.340 -0.000 0.000 0.211 526 Q C 1.254 177.258 176.000 0.006 0.000 0.858 526 Q CA -0.175 55.649 55.803 0.035 0.000 0.895 526 Q CB -0.011 28.780 28.738 0.089 0.000 1.194 526 Q HN 0.102 nan 8.270 nan 0.000 0.645 527 F N 1.928 121.787 119.950 -0.151 0.000 2.084 527 F HA -0.182 4.345 4.527 -0.000 0.000 0.296 527 F C 1.988 177.593 175.800 -0.325 0.000 1.111 527 F CA 1.021 58.896 58.000 -0.208 0.000 1.224 527 F CB -0.313 38.576 39.000 -0.184 0.000 0.991 527 F HN 0.054 nan 8.300 nan 0.000 0.471 528 L N 1.161 121.970 121.223 -0.689 0.000 2.012 528 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 528 L C -0.803 175.787 176.870 -0.467 0.000 1.073 528 L CA 2.246 56.624 54.840 -0.769 0.000 0.748 528 L CB -2.017 39.532 42.059 -0.850 0.000 0.891 528 L HN 0.005 nan 8.230 nan 0.000 0.431 529 P HA -0.194 nan 4.420 nan 0.000 0.215 529 P C 1.448 178.626 177.300 -0.203 0.000 1.153 529 P CA 1.731 64.727 63.100 -0.173 0.000 0.853 529 P CB -0.056 31.579 31.700 -0.108 0.000 0.788 530 K N -0.604 119.646 120.400 -0.249 0.000 2.063 530 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 530 K C 2.129 178.559 176.600 -0.284 0.000 1.048 530 K CA 1.182 57.334 56.287 -0.224 0.000 0.928 530 K CB -0.984 31.395 32.500 -0.201 0.000 0.713 530 K HN 0.164 nan 8.250 nan 0.000 0.442 531 L N 1.344 122.280 121.223 -0.478 0.000 1.994 531 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 531 L C 2.134 178.849 176.870 -0.258 0.000 1.071 531 L CA 1.321 55.898 54.840 -0.439 0.000 0.745 531 L CB -0.185 41.473 42.059 -0.669 0.000 0.892 531 L HN 0.166 nan 8.230 nan 0.000 0.431 532 L N 0.054 121.134 121.223 -0.239 0.000 2.191 532 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 532 L C 2.159 178.967 176.870 -0.103 0.000 1.103 532 L CA 1.408 56.158 54.840 -0.149 0.000 0.769 532 L CB -0.726 41.262 42.059 -0.118 0.000 0.908 532 L HN 0.445 nan 8.230 nan 0.000 0.438 533 N N 0.353 118.988 118.700 -0.109 0.000 2.457 533 N HA -0.016 4.724 4.740 -0.000 0.000 0.180 533 N C 0.750 176.219 175.510 -0.068 0.000 1.050 533 N CA 0.596 53.602 53.050 -0.074 0.000 0.906 533 N CB 0.190 38.634 38.487 -0.071 0.000 0.968 533 N HN 0.280 nan 8.380 nan 0.000 0.445 534 A N -1.061 121.707 122.820 -0.086 0.000 2.327 534 A HA 0.543 4.862 4.320 -0.000 0.000 0.255 534 A C 0.494 178.047 177.584 -0.053 0.000 1.099 534 A CA 0.202 52.199 52.037 -0.067 0.000 0.801 534 A CB 0.317 19.269 19.000 -0.080 0.000 1.062 534 A HN 0.296 nan 8.150 nan 0.000 0.496 535 T N 0.000 114.531 114.554 -0.039 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 535 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658