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 1zgb_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN 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 0.000 174.649 174.600 0.082 0.000 1.055 4 S CA 0.000 58.232 58.200 0.053 0.000 1.107 4 S CB 0.000 63.230 63.200 0.050 0.000 0.593 5 E N 2.480 122.731 120.200 0.085 0.000 2.265 5 E HA -0.009 4.341 4.350 -0.001 0.000 0.196 5 E C 1.043 177.764 176.600 0.202 0.000 0.996 5 E CA 1.115 57.591 56.400 0.128 0.000 0.832 5 E CB -0.038 29.723 29.700 0.102 0.000 0.756 5 E HN 0.713 nan 8.360 nan 0.000 0.491 6 L N 0.756 122.066 121.223 0.146 0.000 2.607 6 L HA 0.172 4.512 4.340 -0.001 0.000 0.228 6 L C 0.086 177.141 176.870 0.309 0.000 1.123 6 L CA -0.403 54.522 54.840 0.142 0.000 0.890 6 L CB 0.464 42.507 42.059 -0.027 0.000 1.103 6 L HN 0.123 nan 8.230 nan 0.000 0.468 7 L N 0.612 121.988 121.223 0.256 0.000 2.296 7 L HA 0.565 4.904 4.340 -0.001 0.000 0.286 7 L C -0.674 176.290 176.870 0.157 0.000 1.023 7 L CA -0.297 54.678 54.840 0.225 0.000 0.812 7 L CB 1.621 43.755 42.059 0.125 0.000 1.223 7 L HN -0.326 nan 8.230 nan 0.000 0.421 8 V N 4.782 124.759 119.914 0.105 0.000 2.709 8 V HA 0.479 4.598 4.120 -0.001 0.000 0.308 8 V C -0.490 175.514 176.094 -0.150 0.000 1.062 8 V CA -0.859 61.336 62.300 -0.175 0.000 0.901 8 V CB 2.018 33.410 31.823 -0.719 0.000 1.003 8 V HN 0.721 nan 8.190 nan 0.000 0.425 9 N N 2.976 121.531 118.700 -0.241 0.000 2.439 9 N HA 0.391 5.131 4.740 -0.001 0.000 0.249 9 N C -0.095 175.091 175.510 -0.540 0.000 1.003 9 N CA 0.008 52.886 53.050 -0.286 0.000 0.942 9 N CB 1.759 40.071 38.487 -0.291 0.000 1.115 9 N HN 0.943 nan 8.380 nan 0.000 0.505 10 T N -0.355 113.995 114.554 -0.341 0.000 2.937 10 T HA 0.366 4.715 4.350 -0.001 0.000 0.283 10 T C 1.190 175.652 174.700 -0.397 0.000 1.012 10 T CA -0.546 61.331 62.100 -0.371 0.000 0.997 10 T CB 1.459 70.377 68.868 0.083 0.000 1.136 10 T HN 0.283 nan 8.240 nan 0.000 0.551 11 K N 0.207 120.416 120.400 -0.318 0.000 2.362 11 K HA 0.031 4.350 4.320 -0.001 0.000 0.200 11 K C 1.961 178.423 176.600 -0.229 0.000 1.046 11 K CA 0.805 56.948 56.287 -0.240 0.000 0.952 11 K CB -0.058 32.358 32.500 -0.141 0.000 0.753 11 K HN 0.422 nan 8.250 nan 0.000 0.466 12 S N -0.341 115.219 115.700 -0.233 0.000 2.517 12 S HA 0.187 4.657 4.470 -0.001 0.000 0.214 12 S C 0.503 174.416 174.600 -1.145 0.000 0.991 12 S CA 0.288 58.221 58.200 -0.446 0.000 0.906 12 S CB 0.939 64.073 63.200 -0.110 0.000 0.789 12 S HN 0.550 nan 8.310 nan 0.000 0.513 13 G N 1.157 109.498 108.800 -0.765 0.000 2.369 13 G HA2 0.111 4.070 3.960 -0.001 0.000 0.295 13 G HA3 0.111 4.070 3.960 -0.001 0.000 0.295 13 G C -1.902 172.966 174.900 -0.054 0.000 1.298 13 G CA -1.158 43.502 45.100 -0.734 0.000 0.940 13 G HN 0.099 nan 8.290 nan 0.000 0.536 14 K N -0.793 119.750 120.400 0.238 0.000 2.144 14 K HA 0.665 4.985 4.320 -0.001 0.000 0.270 14 K C -0.650 176.306 176.600 0.593 0.000 1.005 14 K CA -0.670 55.806 56.287 0.314 0.000 0.932 14 K CB 2.383 35.011 32.500 0.213 0.000 1.021 14 K HN 0.655 nan 8.250 nan 0.000 0.462 15 V N 3.161 123.357 119.914 0.470 0.000 2.841 15 V HA 0.475 4.595 4.120 -0.001 0.000 0.310 15 V C -1.666 174.717 176.094 0.483 0.000 1.090 15 V CA -0.946 61.689 62.300 0.559 0.000 0.930 15 V CB 2.070 34.272 31.823 0.633 0.000 1.014 15 V HN 0.788 nan 8.190 nan 0.000 0.425 16 M N 5.761 125.614 119.600 0.421 0.000 2.181 16 M HA 0.802 5.281 4.480 -0.001 0.000 0.323 16 M C 0.094 176.509 176.300 0.192 0.000 1.004 16 M CA 0.195 55.673 55.300 0.296 0.000 0.941 16 M CB 1.200 33.892 32.600 0.153 0.000 1.579 16 M HN 0.772 nan 8.290 nan 0.000 0.427 17 G N 1.521 110.307 108.800 -0.024 0.000 2.509 17 G HA2 0.615 4.574 3.960 -0.001 0.000 0.269 17 G HA3 0.615 4.574 3.960 -0.001 0.000 0.269 17 G C -1.035 173.658 174.900 -0.344 0.000 1.416 17 G CA -0.312 44.462 45.100 -0.543 0.000 1.052 17 G HN 0.702 nan 8.290 nan 0.000 0.542 18 T N -1.687 112.623 114.554 -0.407 0.000 2.916 18 T HA 0.512 4.862 4.350 -0.001 0.000 0.305 18 T C -0.672 173.897 174.700 -0.219 0.000 1.119 18 T CA -0.705 61.250 62.100 -0.241 0.000 1.008 18 T CB 1.508 70.260 68.868 -0.193 0.000 1.129 18 T HN 0.636 nan 8.240 nan 0.000 0.480 19 R N 2.848 123.270 120.500 -0.130 0.000 2.308 19 R HA 0.663 5.003 4.340 -0.001 0.000 0.305 19 R C -0.526 175.767 176.300 -0.012 0.000 1.053 19 R CA -0.499 55.562 56.100 -0.066 0.000 0.957 19 R CB 0.498 30.758 30.300 -0.067 0.000 1.022 19 R HN 0.535 nan 8.270 nan 0.000 0.461 20 V N 2.279 122.215 119.914 0.037 0.000 2.735 20 V HA 0.714 4.834 4.120 -0.001 0.000 0.310 20 V C -2.605 173.515 176.094 0.044 0.000 1.061 20 V CA -2.641 59.681 62.300 0.037 0.000 0.913 20 V CB 1.768 33.602 31.823 0.018 0.000 1.005 20 V HN 0.807 nan 8.190 nan 0.000 0.428 21 P HA 0.544 nan 4.420 nan 0.000 0.282 21 P C -1.069 176.066 177.300 -0.276 0.000 1.249 21 P CA -0.377 62.556 63.100 -0.278 0.000 0.806 21 P CB 1.797 33.356 31.700 -0.236 0.000 0.984 22 V N 3.169 122.844 119.914 -0.398 0.000 2.697 22 V HA 0.167 4.287 4.120 -0.001 0.000 0.300 22 V C 0.596 176.443 176.094 -0.412 0.000 1.115 22 V CA -0.970 61.099 62.300 -0.384 0.000 0.912 22 V CB 1.279 32.776 31.823 -0.545 0.000 1.024 22 V HN 0.481 nan 8.190 nan 0.000 0.431 23 L N 4.051 125.177 121.223 -0.161 0.000 3.854 23 L HA -0.286 4.054 4.340 -0.001 0.000 0.460 23 L C 1.243 178.018 176.870 -0.159 0.000 1.228 23 L CA 0.907 55.687 54.840 -0.101 0.000 0.760 23 L CB -1.460 40.602 42.059 0.004 0.000 1.597 23 L HN 1.545 nan 8.230 nan 0.000 0.852 24 S N -3.269 112.320 115.700 -0.184 0.000 3.380 24 S HA -0.251 4.219 4.470 -0.001 0.000 0.300 24 S C 0.268 174.733 174.600 -0.224 0.000 1.255 24 S CA 1.456 59.553 58.200 -0.171 0.000 0.963 24 S CB -1.134 62.023 63.200 -0.071 0.000 1.106 24 S HN 1.012 nan 8.310 nan 0.000 0.629 25 S N -0.534 114.930 115.700 -0.392 0.000 3.081 25 S HA 0.896 5.366 4.470 -0.001 0.000 0.316 25 S C -1.049 173.184 174.600 -0.611 0.000 1.089 25 S CA -0.170 57.829 58.200 -0.335 0.000 0.897 25 S CB 1.175 64.245 63.200 -0.218 0.000 1.358 25 S HN 0.801 nan 8.310 nan 0.000 0.678 26 H N -1.064 117.918 119.070 -0.146 0.000 3.037 26 H HA 0.660 5.216 4.556 -0.001 0.000 0.355 26 H C -0.609 174.713 175.328 -0.010 0.000 1.263 26 H CA -0.197 55.797 56.048 -0.090 0.000 1.129 26 H CB 1.502 31.241 29.762 -0.038 0.000 1.861 26 H HN 0.669 nan 8.280 nan 0.000 0.546 27 I N -2.503 118.158 120.570 0.151 0.000 3.279 27 I HA 0.820 4.989 4.170 -0.001 0.000 0.315 27 I C -0.527 175.670 176.117 0.133 0.000 1.225 27 I CA -0.940 60.466 61.300 0.177 0.000 0.947 27 I CB 1.587 39.723 38.000 0.227 0.000 1.293 27 I HN 0.643 nan 8.210 nan 0.000 0.468 28 S N 0.841 116.626 115.700 0.142 0.000 2.565 28 S HA 0.931 5.401 4.470 -0.001 0.000 0.290 28 S C 0.019 174.591 174.600 -0.047 0.000 1.150 28 S CA -0.105 58.092 58.200 -0.006 0.000 1.058 28 S CB 1.386 64.608 63.200 0.037 0.000 1.032 28 S HN 1.689 nan 8.310 nan 0.000 0.510 29 A N 1.757 124.377 122.820 -0.334 0.000 2.393 29 A HA 0.791 5.110 4.320 -0.001 0.000 0.306 29 A C -1.441 175.801 177.584 -0.569 0.000 1.050 29 A CA -0.656 51.133 52.037 -0.414 0.000 0.724 29 A CB 0.572 19.279 19.000 -0.488 0.000 1.248 29 A HN 0.655 nan 8.150 nan 0.000 0.424 30 F N 2.733 122.556 119.950 -0.211 0.000 2.359 30 F HA 0.446 4.973 4.527 -0.000 0.000 0.369 30 F C -0.126 175.560 175.800 -0.191 0.000 1.084 30 F CA -0.323 57.634 58.000 -0.071 0.000 1.096 30 F CB 1.212 40.279 39.000 0.112 0.000 1.335 30 F HN 0.361 nan 8.300 nan 0.000 0.457 31 L N 2.140 123.307 121.223 -0.093 0.000 2.325 31 L HA 0.664 5.004 4.340 -0.001 0.000 0.279 31 L C 1.048 177.936 176.870 0.030 0.000 1.054 31 L CA -0.893 53.879 54.840 -0.113 0.000 0.804 31 L CB 1.379 43.276 42.059 -0.271 0.000 1.200 31 L HN 0.829 nan 8.230 nan 0.000 0.436 32 G N 3.012 111.853 108.800 0.068 0.000 2.246 32 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.273 32 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.273 32 G C -0.110 174.842 174.900 0.087 0.000 1.055 32 G CA -0.315 44.824 45.100 0.066 0.000 0.851 32 G HN 0.483 nan 8.290 nan 0.000 0.500 33 I N 2.251 122.804 120.570 -0.028 0.000 2.416 33 I HA 0.239 4.409 4.170 -0.001 0.000 0.288 33 I C -1.301 174.587 176.117 -0.382 0.000 1.051 33 I CA -2.091 59.011 61.300 -0.332 0.000 1.375 33 I CB 1.155 38.972 38.000 -0.305 0.000 1.407 33 I HN 0.010 nan 8.210 nan 0.000 0.516 34 P HA 0.093 nan 4.420 nan 0.000 0.279 34 P C -0.414 176.483 177.300 -0.671 0.000 1.239 34 P CA -0.063 62.513 63.100 -0.873 0.000 0.789 34 P CB 0.822 31.949 31.700 -0.954 0.000 0.933 35 F N 0.300 119.912 119.950 -0.563 0.000 2.798 35 F HA 0.742 5.269 4.527 -0.001 0.000 0.328 35 F C -0.063 175.630 175.800 -0.178 0.000 1.098 35 F CA -0.960 56.782 58.000 -0.430 0.000 1.172 35 F CB -0.003 38.724 39.000 -0.454 0.000 1.072 35 F HN 0.365 nan 8.300 nan 0.000 0.555 36 A N 0.040 122.543 122.820 -0.530 0.000 2.587 36 A HA 0.623 4.943 4.320 -0.001 0.000 0.293 36 A C -0.895 176.509 177.584 -0.299 0.000 1.087 36 A CA -0.744 51.127 52.037 -0.276 0.000 0.692 36 A CB 1.138 19.962 19.000 -0.293 0.000 1.291 36 A HN 0.050 nan 8.150 nan 0.000 0.407 37 E N 1.017 121.135 120.200 -0.136 0.000 2.373 37 E HA 0.284 4.634 4.350 -0.001 0.000 0.267 37 E C -2.336 174.176 176.600 -0.147 0.000 1.032 37 E CA -1.406 54.932 56.400 -0.102 0.000 0.889 37 E CB 0.149 29.832 29.700 -0.028 0.000 0.984 37 E HN 0.256 nan 8.360 nan 0.000 0.425 38 P HA -0.006 nan 4.420 nan 0.000 0.261 38 P C -2.249 175.000 177.300 -0.085 0.000 1.183 38 P CA -0.590 62.441 63.100 -0.115 0.000 0.761 38 P CB 0.034 31.706 31.700 -0.046 0.000 0.785 39 P HA 0.048 nan 4.420 nan 0.000 0.219 39 P C -0.478 176.775 177.300 -0.079 0.000 1.832 39 P CA -0.062 62.994 63.100 -0.072 0.000 1.014 39 P CB 0.076 31.736 31.700 -0.066 0.000 1.939 40 V N -1.755 118.120 119.914 -0.066 0.000 3.096 40 V HA 0.906 5.026 4.120 -0.001 0.000 0.319 40 V C 0.929 176.989 176.094 -0.057 0.000 1.103 40 V CA 0.130 62.390 62.300 -0.066 0.000 1.016 40 V CB 0.808 32.601 31.823 -0.049 0.000 1.090 40 V HN 0.587 nan 8.190 nan 0.000 0.449 41 G N 2.088 110.853 108.800 -0.058 0.000 2.622 41 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.307 41 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.307 41 G C 0.563 175.432 174.900 -0.050 0.000 1.226 41 G CA 1.011 46.085 45.100 -0.044 0.000 0.997 41 G HN 1.104 nan 8.290 nan 0.000 0.551 42 N N 0.488 119.177 118.700 -0.017 0.000 2.573 42 N HA 0.057 4.796 4.740 -0.001 0.000 0.187 42 N C 2.114 177.622 175.510 -0.003 0.000 1.107 42 N CA 1.060 54.112 53.050 0.002 0.000 0.918 42 N CB -0.118 38.386 38.487 0.029 0.000 0.966 42 N HN 0.389 nan 8.380 nan 0.000 0.448 43 M N -0.324 119.261 119.600 -0.026 0.000 2.556 43 M HA 0.073 4.553 4.480 -0.001 0.000 0.245 43 M C 0.567 176.829 176.300 -0.063 0.000 1.128 43 M CA 0.037 55.322 55.300 -0.024 0.000 1.069 43 M CB -0.530 32.055 32.600 -0.024 0.000 1.469 43 M HN 0.040 nan 8.290 nan 0.000 0.494 44 R N 0.455 120.867 120.500 -0.148 0.000 2.522 44 R HA -0.002 4.337 4.340 -0.001 0.000 0.284 44 R C -0.308 175.785 176.300 -0.344 0.000 1.032 44 R CA 0.502 56.387 56.100 -0.359 0.000 1.049 44 R CB 0.167 30.112 30.300 -0.593 0.000 0.956 44 R HN 0.202 nan 8.270 nan 0.000 0.422 45 F N -0.488 119.459 119.950 -0.004 0.000 2.502 45 F HA -0.280 4.247 4.527 -0.001 0.000 0.480 45 F C 0.515 176.296 175.800 -0.032 0.000 0.543 45 F CA 0.862 58.836 58.000 -0.044 0.000 1.350 45 F CB -1.417 37.543 39.000 -0.067 0.000 1.999 45 F HN 0.629 nan 8.300 nan 0.000 0.267 46 R N 1.175 121.746 120.500 0.118 0.000 2.560 46 R HA 0.507 4.846 4.340 -0.001 0.000 0.270 46 R C 0.650 176.980 176.300 0.051 0.000 1.074 46 R CA -0.853 55.294 56.100 0.078 0.000 1.140 46 R CB 0.542 30.874 30.300 0.054 0.000 1.073 46 R HN 0.093 nan 8.270 nan 0.000 0.527 47 R N 2.116 122.646 120.500 0.050 0.000 2.698 47 R HA 0.012 4.351 4.340 -0.001 0.000 0.266 47 R C -1.877 174.451 176.300 0.047 0.000 1.026 47 R CA -0.726 55.404 56.100 0.050 0.000 1.102 47 R CB -0.053 30.281 30.300 0.057 0.000 0.978 47 R HN 0.414 nan 8.270 nan 0.000 0.436 48 P HA 0.051 nan 4.420 nan 0.000 0.274 48 P C -0.975 176.363 177.300 0.063 0.000 1.231 48 P CA 0.025 63.160 63.100 0.058 0.000 0.790 48 P CB 0.945 32.707 31.700 0.104 0.000 0.951 49 E N 2.357 122.583 120.200 0.045 0.000 2.195 49 E HA 0.387 4.737 4.350 -0.001 0.000 0.271 49 E C -2.203 174.434 176.600 0.062 0.000 0.923 49 E CA -2.500 53.930 56.400 0.051 0.000 0.790 49 E CB 0.877 30.599 29.700 0.035 0.000 1.155 49 E HN 0.377 nan 8.360 nan 0.000 0.402 50 P HA -0.000 nan 4.420 nan 0.000 0.269 50 P C -0.166 177.192 177.300 0.097 0.000 1.209 50 P CA -0.305 62.870 63.100 0.124 0.000 0.776 50 P CB 0.621 32.402 31.700 0.134 0.000 0.876 51 K N 2.500 122.965 120.400 0.108 0.000 2.412 51 K HA 0.075 4.394 4.320 -0.001 0.000 0.281 51 K C -0.219 176.470 176.600 0.148 0.000 1.027 51 K CA 0.049 56.394 56.287 0.096 0.000 0.989 51 K CB 0.075 32.626 32.500 0.086 0.000 0.935 51 K HN 0.065 nan 8.250 nan 0.000 0.475 52 K N 5.927 126.414 120.400 0.144 0.000 2.412 52 K HA 0.167 4.487 4.320 -0.001 0.000 0.281 52 K C -2.256 174.447 176.600 0.171 0.000 1.027 52 K CA -1.352 55.014 56.287 0.133 0.000 0.989 52 K CB 0.238 32.812 32.500 0.125 0.000 0.935 52 K HN 0.682 nan 8.250 nan 0.000 0.475 53 P HA 0.056 nan 4.420 nan 0.000 0.266 53 P C -0.786 176.523 177.300 0.016 0.000 1.193 53 P CA -0.045 62.968 63.100 -0.144 0.000 0.770 53 P CB 0.266 31.858 31.700 -0.181 0.000 0.836 54 W N 1.125 122.509 121.300 0.141 0.000 2.706 54 W HA 0.687 5.346 4.660 -0.001 0.000 0.346 54 W C -0.594 176.001 176.519 0.126 0.000 1.071 54 W CA -0.915 56.525 57.345 0.159 0.000 1.206 54 W CB 0.129 29.751 29.460 0.270 0.000 1.413 54 W HN 0.364 nan 8.180 nan 0.000 0.542 55 S N 1.766 117.635 115.700 0.281 0.000 2.713 55 S HA 0.891 5.360 4.470 -0.001 0.000 0.283 55 S C 0.482 175.277 174.600 0.324 0.000 1.161 55 S CA -0.009 58.300 58.200 0.183 0.000 0.999 55 S CB 0.898 64.163 63.200 0.108 0.000 1.039 55 S HN 2.164 nan 8.310 nan 0.000 0.548 56 G N -0.690 108.246 108.800 0.227 0.000 2.681 56 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.220 56 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.220 56 G C -0.942 174.152 174.900 0.323 0.000 1.353 56 G CA -0.397 44.834 45.100 0.219 0.000 0.872 56 G HN 1.576 nan 8.290 nan 0.000 0.557 57 V N 0.714 120.765 119.914 0.228 0.000 2.417 57 V HA 0.540 4.660 4.120 -0.001 0.000 0.291 57 V C 0.144 176.332 176.094 0.158 0.000 1.024 57 V CA -0.567 61.885 62.300 0.253 0.000 0.861 57 V CB 1.813 33.727 31.823 0.152 0.000 0.985 57 V HN 0.729 nan 8.190 nan 0.000 0.436 58 W N 5.375 126.729 121.300 0.091 0.000 2.322 58 W HA 0.280 4.940 4.660 -0.001 0.000 0.307 58 W C 0.134 176.631 176.519 -0.037 0.000 1.220 58 W CA -0.513 56.728 57.345 -0.172 0.000 1.210 58 W CB 1.042 30.205 29.460 -0.495 0.000 1.223 58 W HN 0.628 nan 8.180 nan 0.000 0.511 59 N N 4.564 123.080 118.700 -0.307 0.000 2.402 59 N HA 0.217 4.957 4.740 -0.001 0.000 0.252 59 N C -0.460 175.105 175.510 0.091 0.000 1.118 59 N CA 0.186 53.170 53.050 -0.111 0.000 0.945 59 N CB 0.953 39.298 38.487 -0.236 0.000 1.147 59 N HN 0.373 nan 8.380 nan 0.000 0.495 60 A N 2.767 125.719 122.820 0.220 0.000 3.106 60 A HA 0.204 4.524 4.320 -0.001 0.000 0.306 60 A C 1.027 178.622 177.584 0.019 0.000 1.192 60 A CA -0.381 51.791 52.037 0.224 0.000 0.994 60 A CB -0.483 18.730 19.000 0.355 0.000 1.107 60 A HN 0.641 nan 8.150 nan 0.000 0.585 61 S N -0.941 114.733 115.700 -0.043 0.000 2.511 61 S HA 0.147 4.616 4.470 -0.001 0.000 0.214 61 S C 0.794 175.300 174.600 -0.157 0.000 0.997 61 S CA 0.640 58.767 58.200 -0.122 0.000 0.908 61 S CB -0.236 62.900 63.200 -0.107 0.000 0.803 61 S HN 0.816 nan 8.310 nan 0.000 0.504 62 T N -0.841 113.639 114.554 -0.124 0.000 2.906 62 T HA 0.642 4.991 4.350 -0.001 0.000 0.295 62 T C -0.806 173.847 174.700 -0.078 0.000 1.061 62 T CA -0.771 61.247 62.100 -0.137 0.000 1.000 62 T CB 0.711 69.526 68.868 -0.088 0.000 1.103 62 T HN 0.071 nan 8.240 nan 0.000 0.486 63 Y N 2.962 123.220 120.300 -0.069 0.000 2.683 63 Y HA 0.283 4.832 4.550 -0.001 0.000 0.340 63 Y C -1.322 174.509 175.900 -0.115 0.000 1.245 63 Y CA -1.210 56.850 58.100 -0.067 0.000 1.485 63 Y CB 0.030 38.471 38.460 -0.032 0.000 1.328 63 Y HN 0.544 nan 8.280 nan 0.000 0.603 64 P HA 0.085 nan 4.420 nan 0.000 0.279 64 P C -0.634 176.592 177.300 -0.123 0.000 1.276 64 P CA -0.540 62.436 63.100 -0.206 0.000 0.801 64 P CB 0.904 32.401 31.700 -0.339 0.000 1.127 65 N N 0.358 118.958 118.700 -0.166 0.000 2.371 65 N HA 0.079 4.818 4.740 -0.001 0.000 0.243 65 N C 0.068 175.550 175.510 -0.047 0.000 1.287 65 N CA 0.331 53.327 53.050 -0.089 0.000 0.911 65 N CB -0.190 38.254 38.487 -0.072 0.000 1.142 65 N HN 0.425 nan 8.380 nan 0.000 0.451 66 N N -0.751 117.910 118.700 -0.066 0.000 2.466 66 N HA 0.314 5.054 4.740 -0.001 0.000 0.294 66 N C -0.422 175.043 175.510 -0.075 0.000 1.129 66 N CA -0.717 52.288 53.050 -0.075 0.000 0.931 66 N CB 1.072 39.486 38.487 -0.122 0.000 1.193 66 N HN 0.405 nan 8.380 nan 0.000 0.500 67 c N 1.047 119.603 118.600 -0.073 0.000 2.700 67 c HA 0.049 4.618 4.570 -0.001 0.000 0.397 67 c C 0.652 174.646 174.090 -0.160 0.000 1.301 67 c CA -0.587 55.674 56.329 -0.112 0.000 2.219 67 c CB -0.068 42.401 42.510 -0.070 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.393 122.015 119.800 -0.297 0.000 2.274 68 Q HA 0.225 4.564 4.340 -0.001 0.000 0.280 68 Q C -0.074 175.865 176.000 -0.102 0.000 1.047 68 Q CA 0.904 56.522 55.803 -0.309 0.000 0.907 68 Q CB 0.511 28.820 28.738 -0.716 0.000 1.171 68 Q HN 0.866 nan 8.270 nan 0.000 0.381 69 Q N 1.452 121.279 119.800 0.045 0.000 2.575 69 Q HA 0.321 4.661 4.340 -0.001 0.000 0.290 69 Q C -1.275 174.899 176.000 0.291 0.000 0.963 69 Q CA -1.025 54.903 55.803 0.208 0.000 0.783 69 Q CB 0.864 29.676 28.738 0.122 0.000 1.467 69 Q HN 0.498 nan 8.270 nan 0.000 0.402 70 Y N 1.038 121.550 120.300 0.353 0.000 2.610 70 Y HA 0.341 4.891 4.550 -0.001 0.000 0.332 70 Y C -0.999 175.093 175.900 0.321 0.000 1.201 70 Y CA 0.255 58.594 58.100 0.397 0.000 1.465 70 Y CB 0.887 39.719 38.460 0.619 0.000 1.283 70 Y HN 0.449 nan 8.280 nan 0.000 0.563 71 V N 6.543 126.230 119.914 -0.379 0.000 2.459 71 V HA 0.125 4.245 4.120 -0.001 0.000 0.295 71 V C -0.551 175.341 176.094 -0.336 0.000 1.029 71 V CA -1.014 61.159 62.300 -0.212 0.000 0.874 71 V CB 1.534 33.275 31.823 -0.137 0.000 0.985 71 V HN 0.757 nan 8.190 nan 0.000 0.438 72 D N 3.610 124.031 120.400 0.034 0.000 2.371 72 D HA 0.128 4.768 4.640 -0.001 0.000 0.256 72 D C 0.572 176.924 176.300 0.087 0.000 1.193 72 D CA 0.360 54.465 54.000 0.176 0.000 0.881 72 D CB 0.990 41.974 40.800 0.306 0.000 1.143 72 D HN 0.678 nan 8.370 nan 0.000 0.473 73 E N 2.345 122.571 120.200 0.044 0.000 2.660 73 E HA 0.013 4.362 4.350 -0.001 0.000 0.216 73 E C 1.173 177.736 176.600 -0.060 0.000 0.986 73 E CA -0.229 56.171 56.400 0.001 0.000 1.037 73 E CB 0.638 30.314 29.700 -0.040 0.000 1.041 73 E HN 0.467 nan 8.360 nan 0.000 0.480 74 Q N -0.373 119.351 119.800 -0.126 0.000 2.135 74 Q HA -0.097 4.243 4.340 -0.001 0.000 0.204 74 Q C -0.007 175.494 176.000 -0.830 0.000 0.981 74 Q CA 1.179 56.643 55.803 -0.564 0.000 0.856 74 Q CB 0.185 28.364 28.738 -0.931 0.000 0.902 74 Q HN 0.215 nan 8.270 nan 0.000 0.425 75 F N 0.016 120.013 119.950 0.080 0.000 2.584 75 F HA 0.346 4.873 4.527 -0.001 0.000 0.328 75 F C -2.188 173.674 175.800 0.103 0.000 1.407 75 F CA -2.997 55.034 58.000 0.051 0.000 1.145 75 F CB 0.819 39.842 39.000 0.038 0.000 1.440 75 F HN -0.181 nan 8.300 nan 0.000 0.580 76 P HA 0.074 nan 4.420 nan 0.000 0.257 76 P C 1.076 178.454 177.300 0.130 0.000 1.162 76 P CA 1.509 64.675 63.100 0.110 0.000 0.762 76 P CB 0.494 32.226 31.700 0.054 0.000 0.753 77 G N 2.756 111.618 108.800 0.104 0.000 2.212 77 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.266 77 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.266 77 G C 0.122 175.080 174.900 0.096 0.000 0.978 77 G CA -0.281 44.861 45.100 0.071 0.000 0.632 77 G HN 0.554 nan 8.290 nan 0.000 0.537 78 F N 3.212 123.155 119.950 -0.011 0.000 2.541 78 F HA 0.465 4.992 4.527 -0.001 0.000 0.378 78 F C 1.717 177.438 175.800 -0.131 0.000 1.068 78 F CA -0.009 57.927 58.000 -0.107 0.000 1.199 78 F CB 0.963 39.888 39.000 -0.127 0.000 1.091 78 F HN 0.242 nan 8.300 nan 0.000 0.555 79 S N 3.335 118.634 115.700 -0.669 0.000 2.419 79 S HA -0.091 4.379 4.470 -0.001 0.000 0.233 79 S C 2.214 176.406 174.600 -0.680 0.000 1.016 79 S CA 0.767 58.629 58.200 -0.563 0.000 0.974 79 S CB -1.158 61.755 63.200 -0.478 0.000 0.786 79 S HN 0.829 nan 8.310 nan 0.000 0.492 80 G N 1.925 109.880 108.800 -1.409 0.000 2.442 80 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.219 80 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.219 80 G C 1.737 176.777 174.900 0.233 0.000 1.141 80 G CA 1.373 45.926 45.100 -0.911 0.000 0.763 80 G HN 0.795 nan 8.290 nan 0.000 0.554 81 S N -0.350 115.530 115.700 0.299 0.000 2.475 81 S HA 0.150 4.620 4.470 -0.001 0.000 0.224 81 S C 1.862 176.678 174.600 0.360 0.000 1.042 81 S CA 0.884 59.505 58.200 0.700 0.000 0.935 81 S CB 0.102 63.854 63.200 0.921 0.000 0.801 81 S HN 0.355 nan 8.310 nan 0.000 0.509 82 E N 1.818 122.089 120.200 0.119 0.000 2.274 82 E HA 0.026 4.376 4.350 -0.001 0.000 0.194 82 E C 2.025 178.540 176.600 -0.141 0.000 0.996 82 E CA 1.022 57.429 56.400 0.012 0.000 0.840 82 E CB -0.381 29.307 29.700 -0.020 0.000 0.772 82 E HN 0.830 nan 8.360 nan 0.000 0.491 83 M N -1.765 117.649 119.600 -0.311 0.000 2.539 83 M HA -0.074 4.406 4.480 -0.001 0.000 0.261 83 M C 0.739 176.572 176.300 -0.779 0.000 1.069 83 M CA 1.265 56.216 55.300 -0.582 0.000 1.081 83 M CB -0.250 31.888 32.600 -0.771 0.000 1.412 83 M HN 0.050 nan 8.290 nan 0.000 0.482 84 W N 0.667 121.877 121.300 -0.150 0.000 3.013 84 W HA 0.290 4.949 4.660 -0.001 0.000 0.280 84 W C 0.522 176.943 176.519 -0.164 0.000 1.249 84 W CA -0.822 56.413 57.345 -0.184 0.000 1.577 84 W CB -0.048 29.322 29.460 -0.151 0.000 1.057 84 W HN 0.102 nan 8.180 nan 0.000 0.613 85 N N 1.510 120.228 118.700 0.029 0.000 2.467 85 N HA 0.137 4.876 4.740 -0.001 0.000 0.262 85 N C -2.468 172.990 175.510 -0.087 0.000 1.234 85 N CA -1.445 51.603 53.050 -0.003 0.000 0.952 85 N CB -0.064 38.428 38.487 0.008 0.000 1.158 85 N HN -0.349 nan 8.380 nan 0.000 0.463 86 P HA 0.048 nan 4.420 nan 0.000 0.265 86 P C 0.103 177.333 177.300 -0.117 0.000 1.193 86 P CA 0.074 63.102 63.100 -0.121 0.000 0.765 86 P CB 0.273 31.916 31.700 -0.096 0.000 0.823 87 N N 2.247 120.862 118.700 -0.142 0.000 2.234 87 N HA 0.089 4.829 4.740 -0.001 0.000 0.227 87 N C 0.141 175.595 175.510 -0.094 0.000 1.151 87 N CA -0.069 52.909 53.050 -0.120 0.000 0.865 87 N CB 0.434 38.834 38.487 -0.143 0.000 1.066 87 N HN 0.194 nan 8.380 nan 0.000 0.515 88 R N -0.001 120.442 120.500 -0.096 0.000 2.905 88 R HA 0.300 4.640 4.340 -0.001 0.000 0.260 88 R C -0.531 175.727 176.300 -0.070 0.000 1.086 88 R CA -0.679 55.378 56.100 -0.072 0.000 0.978 88 R CB 1.369 31.622 30.300 -0.077 0.000 1.215 88 R HN 0.250 nan 8.270 nan 0.000 0.480 89 E N 1.429 121.592 120.200 -0.061 0.000 2.398 89 E HA 0.081 4.431 4.350 -0.001 0.000 0.263 89 E C -0.465 176.094 176.600 -0.069 0.000 1.046 89 E CA 0.056 56.420 56.400 -0.059 0.000 0.908 89 E CB 0.705 30.372 29.700 -0.054 0.000 0.963 89 E HN 0.253 nan 8.360 nan 0.000 0.431 90 M N 2.153 121.712 119.600 -0.069 0.000 2.342 90 M HA 0.247 4.726 4.480 -0.001 0.000 0.332 90 M C -0.172 176.073 176.300 -0.090 0.000 1.166 90 M CA -0.142 55.108 55.300 -0.085 0.000 1.086 90 M CB 1.707 34.255 32.600 -0.087 0.000 1.541 90 M HN 0.390 nan 8.290 nan 0.000 0.462 91 S N 0.147 115.781 115.700 -0.110 0.000 2.543 91 S HA 0.211 4.681 4.470 -0.001 0.000 0.274 91 S C 0.025 174.533 174.600 -0.154 0.000 1.149 91 S CA -0.676 57.458 58.200 -0.110 0.000 0.866 91 S CB 1.440 64.602 63.200 -0.062 0.000 1.111 91 S HN 0.838 nan 8.310 nan 0.000 0.457 92 E N 1.032 121.121 120.200 -0.185 0.000 2.338 92 E HA -0.098 4.251 4.350 -0.001 0.000 0.197 92 E C -0.247 176.285 176.600 -0.113 0.000 1.007 92 E CA 0.610 56.880 56.400 -0.218 0.000 0.849 92 E CB 0.096 29.675 29.700 -0.201 0.000 0.774 92 E HN 0.522 nan 8.360 nan 0.000 0.506 93 D N 0.289 120.658 120.400 -0.051 0.000 2.470 93 D HA -0.007 4.633 4.640 -0.001 0.000 0.226 93 D C -0.035 176.345 176.300 0.135 0.000 1.196 93 D CA -0.265 53.750 54.000 0.025 0.000 0.979 93 D CB -0.037 40.800 40.800 0.061 0.000 1.059 93 D HN 0.133 nan 8.370 nan 0.000 0.515 94 c N 2.493 121.142 118.600 0.082 0.000 3.722 94 c HA 0.381 4.951 4.570 -0.001 0.000 0.279 94 c C 0.563 174.705 174.090 0.086 0.000 1.819 94 c CA -0.704 55.734 56.329 0.182 0.000 1.744 94 c CB -1.295 41.244 42.510 0.049 0.000 3.247 94 c HN 0.424 nan 8.230 nan 0.000 0.549 95 L N 2.643 123.652 121.223 -0.357 0.000 2.387 95 L HA 0.417 4.757 4.340 -0.001 0.000 0.267 95 L C -0.871 175.156 176.870 -1.405 0.000 1.197 95 L CA 0.464 54.844 54.840 -0.767 0.000 1.070 95 L CB -0.587 40.938 42.059 -0.890 0.000 1.349 95 L HN 0.378 nan 8.230 nan 0.000 0.422 96 Y N 1.979 122.093 120.300 -0.312 0.000 2.605 96 Y HA 0.672 5.222 4.550 -0.000 0.000 0.343 96 Y C -0.099 175.952 175.900 0.252 0.000 1.036 96 Y CA -1.316 56.700 58.100 -0.141 0.000 1.065 96 Y CB 1.863 40.262 38.460 -0.102 0.000 1.288 96 Y HN 0.192 nan 8.280 nan 0.000 0.481 97 L N -0.129 121.278 121.223 0.306 0.000 2.333 97 L HA 0.768 5.107 4.340 -0.001 0.000 0.263 97 L C -1.274 175.661 176.870 0.108 0.000 1.014 97 L CA -1.179 53.789 54.840 0.214 0.000 0.820 97 L CB 1.767 43.877 42.059 0.084 0.000 1.352 97 L HN 0.454 nan 8.230 nan 0.000 0.421 98 N N 1.852 120.623 118.700 0.118 0.000 2.284 98 N HA 0.696 5.436 4.740 -0.001 0.000 0.300 98 N C -1.283 174.199 175.510 -0.046 0.000 1.047 98 N CA -0.222 52.817 53.050 -0.019 0.000 0.821 98 N CB 2.692 41.171 38.487 -0.013 0.000 1.337 98 N HN 0.662 nan 8.380 nan 0.000 0.482 99 I N 0.503 120.971 120.570 -0.169 0.000 2.466 99 I HA 0.399 4.569 4.170 -0.001 0.000 0.289 99 I C -0.676 175.452 176.117 0.019 0.000 1.026 99 I CA -0.715 60.577 61.300 -0.013 0.000 1.078 99 I CB 2.128 40.026 38.000 -0.170 0.000 1.249 99 I HN 0.238 nan 8.210 nan 0.000 0.429 100 W N 5.803 127.237 121.300 0.223 0.000 2.417 100 W HA 0.567 5.227 4.660 -0.001 0.000 0.315 100 W C -1.008 175.653 176.519 0.237 0.000 1.045 100 W CA -0.665 56.809 57.345 0.215 0.000 1.221 100 W CB 2.246 31.802 29.460 0.160 0.000 1.309 100 W HN 0.106 nan 8.180 nan 0.000 0.453 101 V N 5.317 125.513 119.914 0.470 0.000 2.487 101 V HA 0.261 4.381 4.120 -0.001 0.000 0.298 101 V C -1.931 174.363 176.094 0.334 0.000 1.028 101 V CA -2.289 60.254 62.300 0.405 0.000 0.860 101 V CB 1.859 33.992 31.823 0.516 0.000 0.991 101 V HN 0.259 nan 8.190 nan 0.000 0.427 102 P HA 0.047 nan 4.420 nan 0.000 0.269 102 P C -0.505 176.928 177.300 0.223 0.000 1.211 102 P CA 0.338 63.581 63.100 0.238 0.000 0.781 102 P CB 0.474 32.279 31.700 0.176 0.000 0.877 103 S N 1.373 117.200 115.700 0.213 0.000 2.605 103 S HA 0.529 4.998 4.470 -0.001 0.000 0.308 103 S C -2.479 172.213 174.600 0.153 0.000 1.113 103 S CA -1.517 56.789 58.200 0.177 0.000 1.049 103 S CB 0.135 63.437 63.200 0.170 0.000 1.001 103 S HN 0.251 nan 8.310 nan 0.000 0.480 104 P HA 0.174 nan 4.420 nan 0.000 0.272 104 P C -0.474 176.902 177.300 0.127 0.000 1.223 104 P CA -0.556 62.611 63.100 0.112 0.000 0.784 104 P CB 0.397 32.148 31.700 0.085 0.000 0.923 105 R N 2.508 123.091 120.500 0.138 0.000 2.485 105 R HA 0.051 4.390 4.340 -0.001 0.000 0.304 105 R C -1.874 174.496 176.300 0.117 0.000 0.934 105 R CA -0.765 55.427 56.100 0.153 0.000 1.102 105 R CB -0.512 29.877 30.300 0.149 0.000 0.906 105 R HN 0.376 nan 8.270 nan 0.000 0.407 106 P HA 0.044 nan 4.420 nan 0.000 0.273 106 P C -0.176 177.165 177.300 0.068 0.000 1.250 106 P CA -0.362 62.790 63.100 0.087 0.000 0.793 106 P CB 0.707 32.463 31.700 0.092 0.000 1.011 107 K N -0.457 119.970 120.400 0.045 0.000 2.141 107 K HA 0.135 4.455 4.320 -0.001 0.000 0.202 107 K C 0.601 177.206 176.600 0.008 0.000 1.045 107 K CA 1.059 57.361 56.287 0.024 0.000 0.971 107 K CB -0.328 32.182 32.500 0.016 0.000 0.795 107 K HN 0.339 nan 8.250 nan 0.000 0.459 108 S N 0.877 116.583 115.700 0.010 0.000 2.689 108 S HA 0.151 4.621 4.470 -0.001 0.000 0.151 108 S C -1.056 173.548 174.600 0.006 0.000 1.155 108 S CA -0.366 57.831 58.200 -0.006 0.000 1.144 108 S CB 0.290 63.475 63.200 -0.024 0.000 1.526 108 S HN 0.154 nan 8.310 nan 0.000 0.419 109 T N 1.712 116.281 114.554 0.025 0.000 2.949 109 T HA 0.580 4.930 4.350 -0.001 0.000 0.287 109 T C 0.076 174.794 174.700 0.031 0.000 1.034 109 T CA -0.073 62.044 62.100 0.030 0.000 1.018 109 T CB 1.206 70.102 68.868 0.047 0.000 1.135 109 T HN 0.428 nan 8.240 nan 0.000 0.532 110 T N 2.331 116.899 114.554 0.024 0.000 2.905 110 T HA 0.260 4.610 4.350 -0.001 0.000 0.299 110 T C -0.200 174.528 174.700 0.047 0.000 1.024 110 T CA -0.077 62.035 62.100 0.020 0.000 1.151 110 T CB -0.004 68.865 68.868 0.002 0.000 0.987 110 T HN 0.400 nan 8.240 nan 0.000 0.535 111 V N 5.438 125.385 119.914 0.056 0.000 2.581 111 V HA 0.527 4.646 4.120 -0.001 0.000 0.303 111 V C 0.074 176.229 176.094 0.102 0.000 1.041 111 V CA -0.785 61.571 62.300 0.093 0.000 0.907 111 V CB 1.735 33.617 31.823 0.099 0.000 0.994 111 V HN 0.834 nan 8.190 nan 0.000 0.442 112 M N 4.297 123.983 119.600 0.144 0.000 2.259 112 M HA 0.567 5.047 4.480 -0.001 0.000 0.304 112 M C -1.420 175.121 176.300 0.402 0.000 1.019 112 M CA -0.632 54.771 55.300 0.172 0.000 0.922 112 M CB 2.274 34.850 32.600 -0.040 0.000 1.600 112 M HN 0.356 nan 8.290 nan 0.000 0.433 113 V N 2.973 123.175 119.914 0.480 0.000 2.378 113 V HA 0.361 4.480 4.120 -0.001 0.000 0.288 113 V C -0.849 175.570 176.094 0.542 0.000 1.016 113 V CA -0.641 61.923 62.300 0.440 0.000 0.840 113 V CB 1.659 33.610 31.823 0.214 0.000 0.994 113 V HN 0.875 nan 8.190 nan 0.000 0.431 114 W N 6.904 128.333 121.300 0.215 0.000 2.351 114 W HA 0.641 5.301 4.660 -0.001 0.000 0.311 114 W C -1.338 175.093 176.519 -0.146 0.000 1.168 114 W CA -0.744 56.479 57.345 -0.203 0.000 1.200 114 W CB 1.222 30.575 29.460 -0.178 0.000 1.221 114 W HN 0.441 nan 8.180 nan 0.000 0.519 115 I N 9.163 129.138 120.570 -0.991 0.000 2.390 115 I HA 0.059 4.229 4.170 -0.001 0.000 0.283 115 I C -0.268 175.110 176.117 -1.232 0.000 1.016 115 I CA -1.119 59.673 61.300 -0.846 0.000 1.151 115 I CB 0.704 38.372 38.000 -0.553 0.000 1.293 115 I HN 0.302 nan 8.210 nan 0.000 0.458 116 Y N 4.657 124.502 120.300 -0.758 0.000 2.457 116 Y HA 0.620 5.170 4.550 -0.001 0.000 0.341 116 Y C 0.759 176.503 175.900 -0.261 0.000 1.240 116 Y CA -0.787 56.965 58.100 -0.580 0.000 1.437 116 Y CB -0.087 38.282 38.460 -0.152 0.000 1.328 116 Y HN 0.524 nan 8.280 nan 0.000 0.588 117 G N -0.574 108.261 108.800 0.058 0.000 2.606 117 G HA2 0.493 4.452 3.960 -0.001 0.000 0.262 117 G HA3 0.493 4.452 3.960 -0.001 0.000 0.262 117 G C 0.271 175.179 174.900 0.014 0.000 1.394 117 G CA -0.922 44.169 45.100 -0.015 0.000 1.044 117 G HN 1.747 nan 8.290 nan 0.000 0.553 118 G N -2.759 105.921 108.800 -0.200 0.000 2.244 118 G HA2 0.402 4.361 3.960 -0.001 0.000 0.163 118 G HA3 0.402 4.361 3.960 -0.001 0.000 0.163 118 G C 1.054 175.557 174.900 -0.662 0.000 1.064 118 G CA 0.664 45.536 45.100 -0.380 0.000 0.757 118 G HN 2.294 nan 8.290 nan 0.000 0.484 119 G N -0.449 107.927 108.800 -0.706 0.000 2.269 119 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.277 119 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.277 119 G C 0.960 175.613 174.900 -0.412 0.000 1.008 119 G CA 0.925 45.339 45.100 -1.143 0.000 0.774 119 G HN 1.819 nan 8.290 nan 0.000 0.511 120 F N -3.573 116.298 119.950 -0.132 0.000 2.871 120 F HA -0.318 4.208 4.527 -0.001 0.000 0.326 120 F C 1.447 177.332 175.800 0.142 0.000 0.675 120 F CA 2.120 60.141 58.000 0.034 0.000 1.188 120 F CB -2.092 36.788 39.000 -0.201 0.000 1.567 120 F HN 0.877 nan 8.300 nan 0.000 0.325 121 Y N -0.950 119.429 120.300 0.131 0.000 2.500 121 Y HA 0.656 5.205 4.550 -0.001 0.000 0.246 121 Y C 0.623 176.628 175.900 0.174 0.000 1.146 121 Y CA 0.265 58.471 58.100 0.177 0.000 1.230 121 Y CB 0.028 38.515 38.460 0.046 0.000 1.214 121 Y HN 0.098 nan 8.280 nan 0.000 0.526 122 S N -0.812 114.560 115.700 -0.548 0.000 2.727 122 S HA 0.876 5.346 4.470 -0.001 0.000 0.278 122 S C -0.194 174.207 174.600 -0.332 0.000 1.186 122 S CA -0.527 57.427 58.200 -0.410 0.000 0.836 122 S CB 1.366 64.209 63.200 -0.595 0.000 1.186 122 S HN 1.339 nan 8.310 nan 0.000 0.499 123 G N -0.387 108.190 108.800 -0.371 0.000 2.592 123 G HA2 0.416 4.376 3.960 -0.001 0.000 0.685 123 G HA3 0.416 4.376 3.960 -0.001 0.000 0.685 123 G C -0.966 173.230 174.900 -1.174 0.000 1.278 123 G CA -0.328 44.377 45.100 -0.660 0.000 0.822 123 G HN 1.432 nan 8.290 nan 0.000 0.652 124 S N -0.768 114.237 115.700 -1.158 0.000 2.536 124 S HA 0.688 5.158 4.470 -0.001 0.000 0.271 124 S C 0.896 175.328 174.600 -0.279 0.000 1.134 124 S CA 0.081 57.854 58.200 -0.712 0.000 0.897 124 S CB 1.818 64.821 63.200 -0.329 0.000 1.094 124 S HN 1.977 nan 8.310 nan 0.000 0.473 125 S N -0.139 115.614 115.700 0.088 0.000 2.558 125 S HA -0.039 4.431 4.470 -0.001 0.000 0.217 125 S C 1.332 176.048 174.600 0.193 0.000 0.975 125 S CA 0.782 59.227 58.200 0.408 0.000 0.912 125 S CB -0.573 62.897 63.200 0.450 0.000 0.776 125 S HN 0.843 nan 8.310 nan 0.000 0.526 126 T N -0.073 114.390 114.554 -0.152 0.000 3.069 126 T HA 0.407 4.757 4.350 -0.001 0.000 0.252 126 T C 0.484 174.891 174.700 -0.490 0.000 1.053 126 T CA -0.557 61.136 62.100 -0.678 0.000 0.964 126 T CB -0.571 67.749 68.868 -0.914 0.000 1.005 126 T HN 0.320 nan 8.240 nan 0.000 0.532 127 L N 2.183 123.216 121.223 -0.317 0.000 2.483 127 L HA 0.158 4.498 4.340 -0.001 0.000 0.276 127 L C 1.296 177.926 176.870 -0.400 0.000 1.213 127 L CA -0.525 54.048 54.840 -0.446 0.000 0.843 127 L CB 0.334 41.931 42.059 -0.769 0.000 1.107 127 L HN 0.068 nan 8.230 nan 0.000 0.487 128 D N 1.294 121.485 120.400 -0.349 0.000 2.149 128 D HA -0.145 4.495 4.640 -0.001 0.000 0.198 128 D C 1.994 178.083 176.300 -0.352 0.000 0.990 128 D CA 1.376 55.228 54.000 -0.246 0.000 0.839 128 D CB -0.090 40.587 40.800 -0.205 0.000 0.948 128 D HN 0.536 nan 8.370 nan 0.000 0.460 129 V N -1.134 118.418 119.914 -0.603 0.000 2.913 129 V HA -0.166 3.954 4.120 -0.001 0.000 0.260 129 V C 1.352 176.987 176.094 -0.766 0.000 1.098 129 V CA 1.045 62.963 62.300 -0.636 0.000 1.121 129 V CB -1.106 30.247 31.823 -0.784 0.000 0.714 129 V HN 0.064 nan 8.190 nan 0.000 0.487 130 Y N 0.073 119.921 120.300 -0.753 0.000 2.485 130 Y HA 0.406 4.956 4.550 -0.001 0.000 0.260 130 Y C 1.166 176.663 175.900 -0.671 0.000 1.173 130 Y CA -1.676 55.703 58.100 -1.202 0.000 1.252 130 Y CB -1.021 37.042 38.460 -0.662 0.000 1.123 130 Y HN 0.265 nan 8.280 nan 0.000 0.524 131 N N 1.547 120.107 118.700 -0.233 0.000 2.417 131 N HA -0.043 4.697 4.740 -0.001 0.000 0.272 131 N C 1.294 176.508 175.510 -0.493 0.000 1.304 131 N CA 0.645 53.579 53.050 -0.193 0.000 0.906 131 N CB 1.046 39.507 38.487 -0.043 0.000 1.135 131 N HN 0.473 nan 8.380 nan 0.000 0.483 132 G N 3.371 111.258 108.800 -1.521 0.000 2.920 132 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.208 132 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.208 132 G C 1.441 175.682 174.900 -1.098 0.000 1.159 132 G CA 0.217 44.601 45.100 -1.193 0.000 0.784 132 G HN 0.744 nan 8.290 nan 0.000 0.535 133 K N -0.316 119.303 120.400 -1.300 0.000 2.097 133 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 133 K C 1.704 178.069 176.600 -0.391 0.000 1.050 133 K CA 0.948 56.822 56.287 -0.688 0.000 0.938 133 K CB -0.526 31.665 32.500 -0.515 0.000 0.718 133 K HN 0.378 nan 8.250 nan 0.000 0.442 134 Y N 1.073 121.291 120.300 -0.137 0.000 2.200 134 Y HA -0.168 4.381 4.550 -0.001 0.000 0.290 134 Y C 2.434 178.324 175.900 -0.017 0.000 1.137 134 Y CA 0.633 58.712 58.100 -0.034 0.000 1.163 134 Y CB -0.318 38.098 38.460 -0.074 0.000 0.988 134 Y HN 0.034 nan 8.280 nan 0.000 0.518 135 L N 0.332 121.569 121.223 0.024 0.000 2.044 135 L HA -0.052 4.287 4.340 -0.001 0.000 0.205 135 L C 2.408 179.282 176.870 0.006 0.000 1.075 135 L CA 1.837 56.650 54.840 -0.044 0.000 0.747 135 L CB -1.244 40.697 42.059 -0.198 0.000 0.903 135 L HN 0.145 nan 8.230 nan 0.000 0.435 136 A N -1.221 121.613 122.820 0.024 0.000 1.883 136 A HA -0.326 3.994 4.320 -0.001 0.000 0.217 136 A C 2.353 180.023 177.584 0.142 0.000 1.186 136 A CA 2.146 54.252 52.037 0.115 0.000 0.624 136 A CB -1.289 17.838 19.000 0.211 0.000 0.822 136 A HN 0.650 nan 8.150 nan 0.000 0.444 137 Y N 0.908 121.223 120.300 0.026 0.000 2.109 137 Y HA -0.189 4.361 4.550 -0.001 0.000 0.285 137 Y C 2.711 178.632 175.900 0.036 0.000 1.131 137 Y CA 2.471 60.593 58.100 0.037 0.000 1.121 137 Y CB -0.518 37.951 38.460 0.015 0.000 0.987 137 Y HN 0.306 nan 8.280 nan 0.000 0.495 138 T N 0.319 114.829 114.554 -0.073 0.000 2.788 138 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 138 T C 1.232 175.850 174.700 -0.137 0.000 1.044 138 T CA 1.644 63.632 62.100 -0.187 0.000 1.139 138 T CB -0.107 68.749 68.868 -0.019 0.000 0.867 138 T HN 0.370 nan 8.240 nan 0.000 0.454 139 E N 0.235 120.406 120.200 -0.049 0.000 2.498 139 E HA 0.161 4.511 4.350 -0.001 0.000 0.203 139 E C 0.180 176.783 176.600 0.006 0.000 1.013 139 E CA 0.006 56.409 56.400 0.005 0.000 0.927 139 E CB 0.326 30.050 29.700 0.039 0.000 1.012 139 E HN 0.494 nan 8.360 nan 0.000 0.482 140 E N 0.161 120.356 120.200 -0.009 0.000 2.340 140 E HA -0.161 4.189 4.350 -0.001 0.000 0.240 140 E C -0.523 176.110 176.600 0.056 0.000 1.154 140 E CA 0.498 56.913 56.400 0.024 0.000 0.717 140 E CB -1.321 28.384 29.700 0.009 0.000 1.250 140 E HN 0.162 nan 8.360 nan 0.000 0.386 141 V N -3.343 116.614 119.914 0.071 0.000 2.919 141 V HA 0.739 4.859 4.120 -0.001 0.000 0.316 141 V C 0.434 176.610 176.094 0.137 0.000 1.077 141 V CA -0.991 61.359 62.300 0.083 0.000 0.977 141 V CB 2.233 34.088 31.823 0.052 0.000 1.039 141 V HN -0.060 nan 8.190 nan 0.000 0.441 142 V N 4.099 124.103 119.914 0.150 0.000 2.385 142 V HA 0.356 4.476 4.120 -0.001 0.000 0.269 142 V C -0.029 176.202 176.094 0.228 0.000 1.043 142 V CA -0.065 62.358 62.300 0.204 0.000 0.906 142 V CB 0.900 32.831 31.823 0.179 0.000 0.995 142 V HN 0.785 nan 8.190 nan 0.000 0.467 143 L N 7.296 128.709 121.223 0.317 0.000 2.272 143 L HA 0.604 4.944 4.340 -0.001 0.000 0.289 143 L C -0.409 176.766 176.870 0.507 0.000 1.032 143 L CA 0.203 55.275 54.840 0.388 0.000 0.810 143 L CB 1.435 43.708 42.059 0.356 0.000 1.205 143 L HN 0.427 nan 8.230 nan 0.000 0.422 144 V N 3.577 123.759 119.914 0.446 0.000 2.513 144 V HA 0.636 4.756 4.120 -0.001 0.000 0.299 144 V C -0.276 176.113 176.094 0.492 0.000 1.035 144 V CA -0.495 62.047 62.300 0.404 0.000 0.889 144 V CB 1.931 33.904 31.823 0.251 0.000 0.988 144 V HN 0.861 nan 8.190 nan 0.000 0.440 145 S N 4.987 120.987 115.700 0.500 0.000 2.519 145 S HA 0.832 5.302 4.470 -0.001 0.000 0.309 145 S C -0.778 174.020 174.600 0.329 0.000 1.100 145 S CA -0.794 57.705 58.200 0.499 0.000 1.059 145 S CB 1.548 65.143 63.200 0.658 0.000 1.008 145 S HN 0.652 nan 8.310 nan 0.000 0.478 146 L N 0.745 122.094 121.223 0.211 0.000 2.397 146 L HA 0.995 5.335 4.340 -0.001 0.000 0.266 146 L C 0.129 177.138 176.870 0.231 0.000 1.040 146 L CA -0.695 54.231 54.840 0.144 0.000 0.800 146 L CB 0.317 42.330 42.059 -0.078 0.000 1.324 146 L HN 0.843 nan 8.230 nan 0.000 0.469 147 S N -1.634 114.263 115.700 0.329 0.000 2.661 147 S HA 0.918 5.388 4.470 -0.001 0.000 0.285 147 S C -1.258 173.581 174.600 0.398 0.000 1.138 147 S CA -0.508 57.903 58.200 0.352 0.000 0.855 147 S CB 1.571 65.026 63.200 0.427 0.000 1.136 147 S HN 1.187 nan 8.310 nan 0.000 0.484 148 Y N -2.095 118.314 120.300 0.182 0.000 2.604 148 Y HA 0.651 5.201 4.550 -0.001 0.000 0.331 148 Y C -0.854 175.178 175.900 0.220 0.000 1.158 148 Y CA -1.389 56.813 58.100 0.170 0.000 1.056 148 Y CB 0.594 39.103 38.460 0.081 0.000 1.330 148 Y HN 0.760 nan 8.280 nan 0.000 0.457 149 R N 1.838 122.464 120.500 0.210 0.000 2.570 149 R HA 0.522 4.861 4.340 -0.001 0.000 0.277 149 R C -0.094 176.369 176.300 0.270 0.000 1.039 149 R CA -0.006 56.179 56.100 0.143 0.000 1.065 149 R CB 0.831 31.189 30.300 0.096 0.000 0.964 149 R HN 0.700 nan 8.270 nan 0.000 0.428 150 V N -0.193 119.902 119.914 0.301 0.000 3.182 150 V HA 0.885 5.005 4.120 -0.001 0.000 0.311 150 V C 0.729 177.159 176.094 0.560 0.000 1.221 150 V CA -0.172 62.436 62.300 0.514 0.000 1.060 150 V CB 1.052 33.053 31.823 0.296 0.000 1.164 150 V HN 0.968 nan 8.190 nan 0.000 0.466 151 G N 0.101 109.266 108.800 0.609 0.000 2.598 151 G HA2 0.021 3.981 3.960 -0.001 0.000 0.269 151 G HA3 0.021 3.981 3.960 -0.001 0.000 0.269 151 G C 1.029 176.121 174.900 0.321 0.000 1.289 151 G CA 1.091 46.513 45.100 0.537 0.000 0.926 151 G HN 2.237 nan 8.290 nan 0.000 0.567 152 A N -1.270 121.423 122.820 -0.212 0.000 1.940 152 A HA 0.165 4.484 4.320 -0.001 0.000 0.219 152 A C 2.253 179.698 177.584 -0.232 0.000 1.176 152 A CA 2.610 54.123 52.037 -0.873 0.000 0.631 152 A CB -0.559 17.778 19.000 -1.105 0.000 0.814 152 A HN 1.004 nan 8.150 nan 0.000 0.446 153 F N 0.091 120.095 119.950 0.089 0.000 2.154 153 F HA -0.086 4.441 4.527 -0.001 0.000 0.301 153 F C 2.482 178.297 175.800 0.024 0.000 1.087 153 F CA 1.219 59.251 58.000 0.053 0.000 1.274 153 F CB -0.711 38.271 39.000 -0.030 0.000 1.009 153 F HN 0.293 nan 8.300 nan 0.000 0.485 154 G N -2.293 106.610 108.800 0.171 0.000 2.796 154 G HA2 0.051 4.010 3.960 -0.001 0.000 0.210 154 G HA3 0.051 4.010 3.960 -0.001 0.000 0.210 154 G C 0.768 175.193 174.900 -0.792 0.000 1.146 154 G CA 0.119 45.049 45.100 -0.283 0.000 0.779 154 G HN 0.352 nan 8.290 nan 0.000 0.535 155 F N -0.517 119.524 119.950 0.152 0.000 2.880 155 F HA 0.430 4.956 4.527 -0.001 0.000 0.328 155 F C 0.322 176.176 175.800 0.089 0.000 1.146 155 F CA -1.000 57.073 58.000 0.122 0.000 1.135 155 F CB 0.407 39.508 39.000 0.167 0.000 1.151 155 F HN -0.104 nan 8.300 nan 0.000 0.523 156 L N 2.248 123.457 121.223 -0.023 0.000 2.559 156 L HA 0.447 4.787 4.340 -0.001 0.000 0.274 156 L C 0.176 177.011 176.870 -0.058 0.000 1.205 156 L CA 0.264 54.982 54.840 -0.203 0.000 0.907 156 L CB 0.379 42.017 42.059 -0.702 0.000 1.153 156 L HN 0.165 nan 8.230 nan 0.000 0.490 157 A N 6.982 129.824 122.820 0.036 0.000 2.340 157 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 157 A C -0.853 176.751 177.584 0.033 0.000 1.195 157 A CA -0.475 51.592 52.037 0.050 0.000 0.769 157 A CB 0.606 19.670 19.000 0.107 0.000 1.163 157 A HN 0.700 nan 8.150 nan 0.000 0.472 158 L N 3.575 124.807 121.223 0.015 0.000 2.435 158 L HA 0.243 4.583 4.340 -0.001 0.000 0.253 158 L C 0.014 176.924 176.870 0.067 0.000 1.087 158 L CA -0.760 54.093 54.840 0.020 0.000 0.950 158 L CB 0.403 42.442 42.059 -0.035 0.000 1.304 158 L HN 0.893 nan 8.230 nan 0.000 0.453 159 H N 1.815 120.889 119.070 0.007 0.000 3.094 159 H HA 0.258 4.813 4.556 -0.001 0.000 0.320 159 H C 1.137 176.474 175.328 0.014 0.000 1.000 159 H CA 1.562 57.621 56.048 0.018 0.000 1.413 159 H CB 0.823 30.599 29.762 0.025 0.000 1.405 159 H HN 0.695 nan 8.280 nan 0.000 0.586 160 G N 2.671 111.193 108.800 -0.462 0.000 2.339 160 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.209 160 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.209 160 G C 0.433 175.244 174.900 -0.147 0.000 1.015 160 G CA 0.168 45.080 45.100 -0.314 0.000 0.635 160 G HN 0.880 nan 8.290 nan 0.000 0.499 161 S N 0.117 115.766 115.700 -0.086 0.000 2.586 161 S HA 0.591 5.061 4.470 -0.001 0.000 0.274 161 S C 1.074 175.660 174.600 -0.024 0.000 1.281 161 S CA 0.057 58.233 58.200 -0.039 0.000 1.035 161 S CB 1.416 64.604 63.200 -0.020 0.000 0.962 161 S HN 0.227 nan 8.310 nan 0.000 0.512 162 Q N 1.665 121.461 119.800 -0.006 0.000 2.356 162 Q HA 0.173 4.512 4.340 -0.001 0.000 0.205 162 Q C 1.073 177.092 176.000 0.031 0.000 0.901 162 Q CA 0.307 56.116 55.803 0.010 0.000 0.938 162 Q CB 0.188 28.933 28.738 0.010 0.000 1.081 162 Q HN 0.683 nan 8.270 nan 0.000 0.517 163 E N 0.544 120.766 120.200 0.036 0.000 2.158 163 E HA 0.061 4.410 4.350 -0.001 0.000 0.191 163 E C 0.180 176.835 176.600 0.093 0.000 0.982 163 E CA 0.534 56.973 56.400 0.065 0.000 0.823 163 E CB 0.492 30.234 29.700 0.070 0.000 0.766 163 E HN 0.128 nan 8.360 nan 0.000 0.468 164 A N 1.502 124.351 122.820 0.047 0.000 3.300 164 A HA 0.283 4.603 4.320 -0.001 0.000 0.300 164 A C -2.128 175.460 177.584 0.007 0.000 1.099 164 A CA -0.853 51.198 52.037 0.024 0.000 0.846 164 A CB 0.678 19.597 19.000 -0.136 0.000 1.255 164 A HN -0.120 nan 8.150 nan 0.000 0.519 165 P HA 0.154 nan 4.420 nan 0.000 0.229 165 P C 0.903 178.258 177.300 0.092 0.000 1.160 165 P CA 1.737 64.876 63.100 0.064 0.000 0.777 165 P CB 0.193 31.932 31.700 0.066 0.000 0.814 166 G N 0.753 109.588 108.800 0.058 0.000 2.707 166 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.686 166 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.686 166 G C -0.098 174.823 174.900 0.035 0.000 1.315 166 G CA -0.286 44.855 45.100 0.069 0.000 0.832 166 G HN 0.127 nan 8.290 nan 0.000 0.573 167 N N -2.421 116.303 118.700 0.039 0.000 2.778 167 N HA -0.282 4.457 4.740 -0.001 0.000 0.249 167 N C 1.926 177.309 175.510 -0.212 0.000 1.069 167 N CA 2.525 55.538 53.050 -0.062 0.000 0.831 167 N CB -1.630 36.765 38.487 -0.153 0.000 1.142 167 N HN 1.940 nan 8.380 nan 0.000 0.573 168 V N -2.693 117.077 119.914 -0.240 0.000 2.490 168 V HA -0.006 4.114 4.120 -0.001 0.000 0.250 168 V C 2.297 178.260 176.094 -0.218 0.000 1.061 168 V CA 2.322 64.522 62.300 -0.166 0.000 1.064 168 V CB -0.918 30.861 31.823 -0.073 0.000 0.670 168 V HN 0.274 nan 8.190 nan 0.000 0.461 169 G N 0.361 108.816 108.800 -0.576 0.000 2.432 169 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.219 169 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.219 169 G C 1.545 176.441 174.900 -0.006 0.000 1.135 169 G CA 1.168 46.084 45.100 -0.307 0.000 0.767 169 G HN 0.549 nan 8.290 nan 0.000 0.550 170 L N -0.228 120.946 121.223 -0.082 0.000 2.156 170 L HA 0.132 4.471 4.340 -0.001 0.000 0.208 170 L C 2.783 179.699 176.870 0.076 0.000 1.095 170 L CA 0.246 55.020 54.840 -0.110 0.000 0.770 170 L CB -0.233 41.439 42.059 -0.645 0.000 0.914 170 L HN 0.166 nan 8.230 nan 0.000 0.439 171 L N -0.514 120.745 121.223 0.060 0.000 2.093 171 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 171 L C 2.174 179.135 176.870 0.152 0.000 1.085 171 L CA 0.879 55.820 54.840 0.169 0.000 0.755 171 L CB -0.620 41.515 42.059 0.127 0.000 0.904 171 L HN 0.290 nan 8.230 nan 0.000 0.435 172 D N -0.001 120.485 120.400 0.144 0.000 2.104 172 D HA -0.218 4.422 4.640 -0.001 0.000 0.194 172 D C 2.259 178.638 176.300 0.131 0.000 0.994 172 D CA 1.240 55.387 54.000 0.246 0.000 0.830 172 D CB -0.206 40.783 40.800 0.315 0.000 0.959 172 D HN 0.419 nan 8.370 nan 0.000 0.452 173 Q N 0.108 119.950 119.800 0.070 0.000 2.084 173 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 173 Q C 2.310 178.232 176.000 -0.130 0.000 0.978 173 Q CA 1.012 56.773 55.803 -0.070 0.000 0.844 173 Q CB -0.071 28.647 28.738 -0.033 0.000 0.898 173 Q HN 0.204 nan 8.270 nan 0.000 0.426 174 R N 0.582 121.102 120.500 0.033 0.000 2.081 174 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 174 R C 2.219 178.505 176.300 -0.024 0.000 1.131 174 R CA 1.495 57.597 56.100 0.003 0.000 0.960 174 R CB -0.156 30.248 30.300 0.174 0.000 0.856 174 R HN 0.263 nan 8.270 nan 0.000 0.436 175 M N 0.041 119.651 119.600 0.018 0.000 2.117 175 M HA -0.123 4.357 4.480 -0.001 0.000 0.262 175 M C 2.142 178.387 176.300 -0.092 0.000 1.065 175 M CA 2.067 57.402 55.300 0.059 0.000 1.114 175 M CB -0.071 32.657 32.600 0.214 0.000 1.361 175 M HN 0.306 nan 8.290 nan 0.000 0.408 176 A N 0.199 122.689 122.820 -0.550 0.000 1.933 176 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 176 A C 2.003 179.468 177.584 -0.199 0.000 1.175 176 A CA 1.494 53.036 52.037 -0.823 0.000 0.628 176 A CB -1.027 17.200 19.000 -1.288 0.000 0.814 176 A HN 0.593 nan 8.150 nan 0.000 0.444 177 L N -1.232 119.899 121.223 -0.153 0.000 2.156 177 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 177 L C 2.785 179.700 176.870 0.075 0.000 1.095 177 L CA 1.467 56.288 54.840 -0.032 0.000 0.770 177 L CB -0.393 41.611 42.059 -0.092 0.000 0.914 177 L HN 0.463 nan 8.230 nan 0.000 0.439 178 Q N -0.303 119.539 119.800 0.069 0.000 2.079 178 Q HA -0.244 4.096 4.340 -0.001 0.000 0.200 178 Q C 2.001 178.120 176.000 0.198 0.000 0.974 178 Q CA 1.835 57.706 55.803 0.113 0.000 0.840 178 Q CB -0.430 28.366 28.738 0.096 0.000 0.898 178 Q HN 0.462 nan 8.270 nan 0.000 0.430 179 W N -0.721 120.601 121.300 0.036 0.000 2.358 179 W HA -0.150 4.510 4.660 -0.001 0.000 0.303 179 W C 1.878 178.445 176.519 0.080 0.000 1.208 179 W CA 1.637 59.028 57.345 0.076 0.000 1.274 179 W CB -0.173 29.335 29.460 0.081 0.000 1.138 179 W HN 0.006 nan 8.180 nan 0.000 0.515 180 V N -0.037 120.087 119.914 0.350 0.000 2.295 180 V HA -0.387 3.733 4.120 -0.001 0.000 0.246 180 V C 2.544 178.683 176.094 0.075 0.000 1.049 180 V CA 2.364 64.797 62.300 0.222 0.000 1.024 180 V CB -1.326 30.612 31.823 0.192 0.000 0.648 180 V HN 0.351 nan 8.190 nan 0.000 0.447 181 H N 0.222 119.300 119.070 0.013 0.000 2.319 181 H HA -0.213 4.343 4.556 -0.001 0.000 0.297 181 H C 1.978 177.250 175.328 -0.093 0.000 1.097 181 H CA 2.221 58.253 56.048 -0.027 0.000 1.285 181 H CB -0.019 29.738 29.762 -0.009 0.000 1.368 181 H HN 0.420 nan 8.280 nan 0.000 0.495 182 D N -0.283 120.052 120.400 -0.108 0.000 2.234 182 D HA -0.052 4.588 4.640 -0.001 0.000 0.205 182 D C 1.297 177.420 176.300 -0.295 0.000 0.962 182 D CA 0.648 54.524 54.000 -0.207 0.000 0.855 182 D CB 0.008 40.736 40.800 -0.120 0.000 0.951 182 D HN 0.485 nan 8.370 nan 0.000 0.500 183 N N -0.254 118.207 118.700 -0.398 0.000 2.193 183 N HA 0.028 4.768 4.740 -0.001 0.000 0.210 183 N C 1.472 176.918 175.510 -0.106 0.000 1.215 183 N CA -0.163 52.694 53.050 -0.322 0.000 0.901 183 N CB 1.064 38.978 38.487 -0.954 0.000 1.060 183 N HN 0.016 nan 8.380 nan 0.000 0.508 184 I N 3.184 123.700 120.570 -0.090 0.000 2.567 184 I HA -0.253 3.916 4.170 -0.001 0.000 0.257 184 I C 2.592 178.710 176.117 0.002 0.000 1.184 184 I CA 1.300 62.654 61.300 0.090 0.000 1.451 184 I CB -0.173 37.856 38.000 0.048 0.000 1.089 184 I HN 0.195 nan 8.210 nan 0.000 0.441 185 Q N -0.602 119.006 119.800 -0.321 0.000 2.181 185 Q HA -0.254 4.086 4.340 -0.001 0.000 0.205 185 Q C 1.925 177.672 176.000 -0.422 0.000 0.980 185 Q CA 1.803 57.346 55.803 -0.433 0.000 0.862 185 Q CB -0.941 27.399 28.738 -0.663 0.000 0.905 185 Q HN 0.424 nan 8.270 nan 0.000 0.429 186 F N -0.100 119.804 119.950 -0.078 0.000 2.451 186 F HA 0.065 4.591 4.527 -0.001 0.000 0.299 186 F C 1.058 176.655 175.800 -0.338 0.000 1.101 186 F CA 0.389 58.245 58.000 -0.240 0.000 1.436 186 F CB -0.188 38.584 39.000 -0.380 0.000 1.074 186 F HN -0.002 nan 8.300 nan 0.000 0.553 187 F N -0.527 119.426 119.950 0.005 0.000 2.693 187 F HA 0.406 4.933 4.527 -0.001 0.000 0.303 187 F C 1.783 177.598 175.800 0.025 0.000 1.097 187 F CA 0.336 58.326 58.000 -0.018 0.000 1.330 187 F CB -0.060 38.909 39.000 -0.052 0.000 1.067 187 F HN 0.044 nan 8.300 nan 0.000 0.565 188 G N 0.253 109.130 108.800 0.128 0.000 2.157 188 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.248 188 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.248 188 G C 0.600 175.546 174.900 0.076 0.000 0.979 188 G CA -0.239 44.914 45.100 0.089 0.000 0.650 188 G HN 0.717 nan 8.290 nan 0.000 0.529 189 G N -0.430 108.419 108.800 0.081 0.000 2.420 189 G HA2 0.491 4.451 3.960 -0.001 0.000 0.284 189 G HA3 0.491 4.451 3.960 -0.001 0.000 0.284 189 G C -0.684 174.209 174.900 -0.012 0.000 1.177 189 G CA 0.282 45.415 45.100 0.055 0.000 0.841 189 G HN 0.270 nan 8.290 nan 0.000 0.527 190 D N 1.727 122.122 120.400 -0.008 0.000 2.380 190 D HA 0.262 4.902 4.640 -0.001 0.000 0.230 190 D C -0.930 175.346 176.300 -0.040 0.000 1.154 190 D CA -2.405 51.572 54.000 -0.038 0.000 0.859 190 D CB 1.733 42.519 40.800 -0.024 0.000 1.045 190 D HN 0.073 nan 8.370 nan 0.000 0.495 191 P HA -0.164 nan 4.420 nan 0.000 0.226 191 P C 0.660 177.948 177.300 -0.021 0.000 1.146 191 P CA 0.889 63.938 63.100 -0.086 0.000 0.773 191 P CB 0.031 31.578 31.700 -0.254 0.000 0.772 192 K N -0.863 119.519 120.400 -0.031 0.000 2.404 192 K HA 0.126 4.446 4.320 -0.001 0.000 0.194 192 K C -0.026 176.572 176.600 -0.003 0.000 1.023 192 K CA 0.348 56.630 56.287 -0.009 0.000 1.094 192 K CB -0.255 32.229 32.500 -0.026 0.000 0.841 192 K HN -0.146 nan 8.250 nan 0.000 0.523 193 T N 1.751 116.307 114.554 0.003 0.000 3.624 193 T HA 0.138 4.487 4.350 -0.001 0.000 0.244 193 T C -0.808 173.913 174.700 0.034 0.000 1.063 193 T CA -0.566 61.535 62.100 0.002 0.000 1.252 193 T CB 0.785 69.641 68.868 -0.018 0.000 1.021 193 T HN 0.189 nan 8.240 nan 0.000 0.590 194 V N 0.763 120.725 119.914 0.079 0.000 2.427 194 V HA 0.697 4.816 4.120 -0.001 0.000 0.286 194 V C -0.389 175.813 176.094 0.179 0.000 1.034 194 V CA -0.044 62.332 62.300 0.126 0.000 0.893 194 V CB 1.466 33.382 31.823 0.154 0.000 0.982 194 V HN 0.372 nan 8.190 nan 0.000 0.452 195 T N 8.689 123.332 114.554 0.149 0.000 2.749 195 T HA 0.534 4.884 4.350 -0.001 0.000 0.287 195 T C 0.028 174.849 174.700 0.202 0.000 0.970 195 T CA -0.138 62.068 62.100 0.176 0.000 0.980 195 T CB 0.666 69.595 68.868 0.102 0.000 0.924 195 T HN 0.864 nan 8.240 nan 0.000 0.456 196 I N 1.830 122.490 120.570 0.149 0.000 2.396 196 I HA 0.830 4.999 4.170 -0.001 0.000 0.292 196 I C -0.760 175.515 176.117 0.263 0.000 0.999 196 I CA -0.914 60.444 61.300 0.097 0.000 1.310 196 I CB 0.748 38.573 38.000 -0.293 0.000 1.404 196 I HN 0.485 nan 8.210 nan 0.000 0.496 197 F N 3.242 123.226 119.950 0.058 0.000 2.601 197 F HA 0.996 5.523 4.527 -0.001 0.000 0.309 197 F C -0.474 175.330 175.800 0.006 0.000 1.089 197 F CA -1.231 56.844 58.000 0.125 0.000 0.940 197 F CB 1.376 40.563 39.000 0.313 0.000 1.273 197 F HN 0.829 nan 8.300 nan 0.000 0.450 198 G N 1.288 110.001 108.800 -0.145 0.000 2.646 198 G HA2 0.491 4.451 3.960 -0.001 0.000 0.291 198 G HA3 0.491 4.451 3.960 -0.001 0.000 0.291 198 G C -2.540 172.163 174.900 -0.329 0.000 1.445 198 G CA -0.802 43.837 45.100 -0.768 0.000 0.814 198 G HN 0.862 nan 8.290 nan 0.000 0.495 199 E N 0.406 120.366 120.200 -0.401 0.000 2.238 199 E HA 0.625 4.975 4.350 -0.001 0.000 0.267 199 E C 0.644 177.220 176.600 -0.041 0.000 0.887 199 E CA 0.302 56.703 56.400 0.002 0.000 0.769 199 E CB 2.101 31.968 29.700 0.279 0.000 1.187 199 E HN 0.877 nan 8.360 nan 0.000 0.416 200 S N 2.928 118.665 115.700 0.062 0.000 4.114 200 S HA -0.393 4.077 4.470 -0.001 0.000 0.618 200 S C 1.472 176.191 174.600 0.199 0.000 1.937 200 S CA 2.054 60.373 58.200 0.199 0.000 4.228 200 S CB -1.607 61.659 63.200 0.111 0.000 0.216 200 S HN 0.993 nan 8.310 nan 0.000 0.528 201 A N 0.990 123.837 122.820 0.046 0.000 2.032 201 A HA 0.097 4.417 4.320 -0.001 0.000 0.221 201 A C 2.459 179.829 177.584 -0.356 0.000 1.165 201 A CA 2.545 54.413 52.037 -0.282 0.000 0.645 201 A CB -1.573 16.828 19.000 -0.998 0.000 0.807 201 A HN 1.632 nan 8.150 nan 0.000 0.453 202 G N -0.846 107.792 108.800 -0.270 0.000 2.421 202 G HA2 0.099 4.058 3.960 -0.001 0.000 0.217 202 G HA3 0.099 4.058 3.960 -0.001 0.000 0.217 202 G C 1.428 176.162 174.900 -0.278 0.000 1.143 202 G CA 1.126 46.011 45.100 -0.359 0.000 0.784 202 G HN 0.664 nan 8.290 nan 0.000 0.541 203 G N 0.900 109.603 108.800 -0.162 0.000 2.408 203 G HA2 0.154 4.114 3.960 -0.001 0.000 0.215 203 G HA3 0.154 4.114 3.960 -0.001 0.000 0.215 203 G C 2.005 176.821 174.900 -0.141 0.000 1.156 203 G CA 1.329 46.363 45.100 -0.109 0.000 0.793 203 G HN 0.558 nan 8.290 nan 0.000 0.535 204 A N 1.016 123.779 122.820 -0.094 0.000 1.902 204 A HA 0.007 4.327 4.320 -0.001 0.000 0.217 204 A C 2.691 180.218 177.584 -0.095 0.000 1.181 204 A CA 2.243 54.198 52.037 -0.136 0.000 0.623 204 A CB -0.697 18.252 19.000 -0.086 0.000 0.818 204 A HN 0.290 nan 8.150 nan 0.000 0.443 205 S N -0.387 115.281 115.700 -0.054 0.000 2.359 205 S HA -0.165 4.305 4.470 -0.001 0.000 0.224 205 S C 1.922 176.457 174.600 -0.108 0.000 1.035 205 S CA 1.513 59.660 58.200 -0.088 0.000 1.018 205 S CB -0.605 62.495 63.200 -0.166 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.646 121.495 119.914 -0.108 0.000 2.282 206 V HA -0.215 3.905 4.120 -0.001 0.000 0.249 206 V C 2.633 178.672 176.094 -0.092 0.000 1.057 206 V CA 2.085 64.323 62.300 -0.103 0.000 1.032 206 V CB -1.521 30.221 31.823 -0.135 0.000 0.645 206 V HN 0.614 nan 8.190 nan 0.000 0.447 207 G N -1.197 107.494 108.800 -0.182 0.000 2.450 207 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.220 207 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.220 207 G C 1.598 176.482 174.900 -0.027 0.000 1.130 207 G CA 1.052 46.009 45.100 -0.237 0.000 0.760 207 G HN 0.460 nan 8.290 nan 0.000 0.557 208 M N -0.294 119.308 119.600 0.003 0.000 2.254 208 M HA 0.031 4.511 4.480 -0.001 0.000 0.265 208 M C 2.219 178.636 176.300 0.195 0.000 1.066 208 M CA 0.852 56.282 55.300 0.217 0.000 1.123 208 M CB -0.165 32.567 32.600 0.220 0.000 1.388 208 M HN 0.196 nan 8.290 nan 0.000 0.425 209 H N -0.468 118.726 119.070 0.207 0.000 2.502 209 H HA 0.073 4.628 4.556 -0.001 0.000 0.283 209 H C 2.065 177.603 175.328 0.351 0.000 1.015 209 H CA 1.136 57.302 56.048 0.197 0.000 1.298 209 H CB -0.060 29.709 29.762 0.012 0.000 1.411 209 H HN 0.409 nan 8.280 nan 0.000 0.556 210 I N 0.397 121.241 120.570 0.456 0.000 2.353 210 I HA -0.215 3.955 4.170 -0.001 0.000 0.248 210 I C 2.083 178.457 176.117 0.427 0.000 1.119 210 I CA 0.761 62.391 61.300 0.549 0.000 1.417 210 I CB 0.040 38.306 38.000 0.444 0.000 1.078 210 I HN 0.106 nan 8.210 nan 0.000 0.421 211 L N -0.701 120.737 121.223 0.358 0.000 2.127 211 L HA -0.029 4.311 4.340 -0.001 0.000 0.203 211 L C 1.524 178.522 176.870 0.213 0.000 1.080 211 L CA 0.304 55.354 54.840 0.351 0.000 0.768 211 L CB -0.296 41.997 42.059 0.391 0.000 0.924 211 L HN 0.034 nan 8.230 nan 0.000 0.444 212 S N 0.311 116.058 115.700 0.078 0.000 2.509 212 S HA 0.067 4.537 4.470 -0.001 0.000 0.287 212 S C -1.467 173.026 174.600 -0.178 0.000 1.248 212 S CA -1.289 56.759 58.200 -0.254 0.000 1.089 212 S CB 0.718 63.345 63.200 -0.956 0.000 0.900 212 S HN -0.067 nan 8.310 nan 0.000 0.496 213 P HA -0.090 nan 4.420 nan 0.000 0.216 213 P C 1.443 178.660 177.300 -0.138 0.000 1.154 213 P CA 1.281 64.319 63.100 -0.104 0.000 0.865 213 P CB -0.112 31.532 31.700 -0.093 0.000 0.789 214 G N -1.662 107.003 108.800 -0.226 0.000 2.559 214 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.216 214 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.216 214 G C 1.366 176.176 174.900 -0.149 0.000 1.126 214 G CA 0.614 45.594 45.100 -0.199 0.000 0.778 214 G HN 0.243 nan 8.290 nan 0.000 0.543 215 S N -0.626 115.008 115.700 -0.110 0.000 2.524 215 S HA 0.121 4.590 4.470 -0.001 0.000 0.222 215 S C 2.167 176.853 174.600 0.142 0.000 1.040 215 S CA -0.459 57.781 58.200 0.067 0.000 0.915 215 S CB 0.240 63.611 63.200 0.286 0.000 0.831 215 S HN 0.348 nan 8.310 nan 0.000 0.492 216 R N 1.905 122.437 120.500 0.053 0.000 2.133 216 R HA -0.130 4.210 4.340 -0.001 0.000 0.247 216 R C 0.731 176.839 176.300 -0.320 0.000 1.151 216 R CA 1.677 57.715 56.100 -0.104 0.000 0.971 216 R CB -0.446 29.808 30.300 -0.077 0.000 0.866 216 R HN 0.308 nan 8.270 nan 0.000 0.447 217 D N 0.299 120.579 120.400 -0.199 0.000 2.355 217 D HA -0.006 4.634 4.640 -0.001 0.000 0.218 217 D C 1.402 177.565 176.300 -0.228 0.000 1.004 217 D CA 0.625 54.492 54.000 -0.222 0.000 0.880 217 D CB 0.108 40.805 40.800 -0.171 0.000 0.911 217 D HN 0.236 nan 8.370 nan 0.000 0.528 218 L N -0.119 121.015 121.223 -0.148 0.000 2.599 218 L HA 0.146 4.485 4.340 -0.001 0.000 0.230 218 L C 0.005 176.971 176.870 0.160 0.000 1.141 218 L CA 0.004 54.819 54.840 -0.042 0.000 0.877 218 L CB -0.401 41.674 42.059 0.026 0.000 1.009 218 L HN -0.049 nan 8.230 nan 0.000 0.447 219 F N -4.276 115.673 119.950 -0.002 0.000 2.686 219 F HA 0.577 5.104 4.527 -0.001 0.000 0.311 219 F C 0.412 176.235 175.800 0.038 0.000 1.128 219 F CA -1.366 56.652 58.000 0.030 0.000 0.946 219 F CB 1.155 40.172 39.000 0.028 0.000 1.336 219 F HN -0.410 nan 8.300 nan 0.000 0.457 220 R N 0.706 121.273 120.500 0.112 0.000 2.074 220 R HA 0.477 4.816 4.340 -0.001 0.000 0.218 220 R C -0.039 176.313 176.300 0.086 0.000 1.137 220 R CA 1.044 57.146 56.100 0.004 0.000 0.998 220 R CB 0.261 30.573 30.300 0.019 0.000 0.895 220 R HN 0.787 nan 8.270 nan 0.000 0.442 221 R N -1.457 119.206 120.500 0.273 0.000 2.869 221 R HA 0.752 5.091 4.340 -0.001 0.000 0.263 221 R C -1.540 175.026 176.300 0.445 0.000 1.066 221 R CA -0.699 55.576 56.100 0.292 0.000 0.960 221 R CB 2.229 32.535 30.300 0.010 0.000 1.221 221 R HN 0.205 nan 8.270 nan 0.000 0.474 222 A N 1.265 124.339 122.820 0.424 0.000 2.515 222 A HA 0.710 5.030 4.320 -0.001 0.000 0.298 222 A C -1.219 176.468 177.584 0.171 0.000 1.059 222 A CA -0.616 51.580 52.037 0.265 0.000 0.698 222 A CB 1.308 20.420 19.000 0.186 0.000 1.289 222 A HN 0.562 nan 8.150 nan 0.000 0.404 223 I N 1.740 122.361 120.570 0.085 0.000 2.466 223 I HA 0.385 4.554 4.170 -0.001 0.000 0.289 223 I C -1.479 174.663 176.117 0.041 0.000 1.026 223 I CA -0.586 60.678 61.300 -0.061 0.000 1.078 223 I CB 1.903 39.838 38.000 -0.107 0.000 1.249 223 I HN 0.433 nan 8.210 nan 0.000 0.429 224 L N 6.666 127.881 121.223 -0.013 0.000 2.319 224 L HA 0.444 4.784 4.340 -0.001 0.000 0.281 224 L C -0.490 176.442 176.870 0.103 0.000 1.005 224 L CA -0.217 54.626 54.840 0.005 0.000 0.828 224 L CB 1.575 43.571 42.059 -0.105 0.000 1.227 224 L HN 0.490 nan 8.230 nan 0.000 0.415 225 Q N 1.960 121.880 119.800 0.200 0.000 2.368 225 Q HA 0.465 4.804 4.340 -0.001 0.000 0.263 225 Q C -0.030 176.105 176.000 0.225 0.000 1.009 225 Q CA -0.539 55.464 55.803 0.333 0.000 0.818 225 Q CB 1.504 30.549 28.738 0.512 0.000 1.239 225 Q HN 0.647 nan 8.270 nan 0.000 0.464 226 S N 1.035 116.856 115.700 0.201 0.000 3.614 226 S HA -0.167 4.303 4.470 -0.001 0.000 0.360 226 S C 0.023 174.789 174.600 0.277 0.000 1.023 226 S CA 0.583 58.927 58.200 0.241 0.000 1.114 226 S CB -1.145 62.240 63.200 0.309 0.000 0.907 226 S HN 0.966 nan 8.310 nan 0.000 0.470 227 G N -0.342 108.549 108.800 0.150 0.000 2.655 227 G HA2 0.637 4.597 3.960 -0.001 0.000 0.296 227 G HA3 0.637 4.597 3.960 -0.001 0.000 0.296 227 G C -0.990 173.860 174.900 -0.083 0.000 1.485 227 G CA 0.134 45.322 45.100 0.147 0.000 0.869 227 G HN 1.144 nan 8.290 nan 0.000 0.540 228 S N 0.941 116.516 115.700 -0.209 0.000 2.570 228 S HA 0.781 5.250 4.470 -0.001 0.000 0.270 228 S C -2.085 172.238 174.600 -0.462 0.000 1.149 228 S CA -1.010 56.927 58.200 -0.438 0.000 0.837 228 S CB 2.927 65.859 63.200 -0.445 0.000 1.124 228 S HN 0.437 nan 8.310 nan 0.000 0.465 229 P HA -0.160 nan 4.420 nan 0.000 0.216 229 P C 0.682 177.754 177.300 -0.381 0.000 1.150 229 P CA 1.539 64.410 63.100 -0.382 0.000 0.843 229 P CB -0.347 31.177 31.700 -0.294 0.000 0.787 230 N N -0.836 117.672 118.700 -0.319 0.000 2.383 230 N HA -0.025 4.715 4.740 -0.001 0.000 0.192 230 N C 0.092 175.369 175.510 -0.389 0.000 1.141 230 N CA -0.148 52.740 53.050 -0.270 0.000 0.851 230 N CB -1.438 37.005 38.487 -0.074 0.000 0.976 230 N HN 0.053 nan 8.380 nan 0.000 0.465 231 C N 2.879 121.833 119.300 -0.576 0.000 2.634 231 C HA 0.060 4.520 4.460 -0.001 0.000 0.417 231 C C -0.109 174.388 174.990 -0.821 0.000 1.334 231 C CA -0.892 57.636 59.018 -0.816 0.000 1.829 231 C CB 1.009 27.921 27.740 -1.379 0.000 2.665 231 C HN 0.367 nan 8.230 nan 0.000 0.614 232 P HA -0.111 nan 4.420 nan 0.000 0.220 232 P C 1.164 178.272 177.300 -0.320 0.000 1.148 232 P CA 1.833 64.656 63.100 -0.461 0.000 0.803 232 P CB -0.088 31.354 31.700 -0.430 0.000 0.782 233 W N -1.368 119.810 121.300 -0.205 0.000 3.278 233 W HA 0.578 5.237 4.660 -0.000 0.000 0.308 233 W C 1.079 177.666 176.519 0.113 0.000 1.253 233 W CA 0.322 57.641 57.345 -0.044 0.000 1.759 233 W CB -1.042 28.435 29.460 0.028 0.000 1.093 233 W HN -0.107 nan 8.180 nan 0.000 0.648 234 A N 1.283 123.825 122.820 -0.463 0.000 2.218 234 A HA 0.223 4.543 4.320 -0.001 0.000 0.209 234 A C 0.992 178.389 177.584 -0.311 0.000 1.168 234 A CA 1.026 52.874 52.037 -0.316 0.000 0.804 234 A CB -0.464 18.096 19.000 -0.733 0.000 0.834 234 A HN 0.208 nan 8.150 nan 0.000 0.482 235 S N -1.756 113.768 115.700 -0.294 0.000 2.615 235 S HA 0.673 5.142 4.470 -0.001 0.000 0.269 235 S C -0.837 173.639 174.600 -0.207 0.000 1.161 235 S CA -0.053 57.968 58.200 -0.298 0.000 0.817 235 S CB 1.287 64.244 63.200 -0.405 0.000 1.131 235 S HN 1.374 nan 8.310 nan 0.000 0.467 236 V N -1.192 118.619 119.914 -0.171 0.000 3.206 236 V HA 0.927 5.047 4.120 -0.001 0.000 0.305 236 V C 0.117 176.144 176.094 -0.112 0.000 1.257 236 V CA -0.436 61.790 62.300 -0.124 0.000 1.057 236 V CB 1.068 32.837 31.823 -0.090 0.000 1.075 236 V HN 1.566 nan 8.190 nan 0.000 0.443 237 S N 0.627 116.271 115.700 -0.092 0.000 2.624 237 S HA 0.370 4.840 4.470 -0.001 0.000 0.263 237 S C 1.303 175.862 174.600 -0.069 0.000 1.287 237 S CA 0.054 58.204 58.200 -0.084 0.000 0.990 237 S CB 1.259 64.418 63.200 -0.067 0.000 0.950 237 S HN 2.177 nan 8.310 nan 0.000 0.561 238 V N -1.428 118.434 119.914 -0.087 0.000 2.626 238 V HA 0.062 4.182 4.120 -0.001 0.000 0.252 238 V C 2.481 178.564 176.094 -0.018 0.000 1.067 238 V CA 1.530 63.787 62.300 -0.072 0.000 1.081 238 V CB -1.949 29.760 31.823 -0.189 0.000 0.686 238 V HN 0.993 nan 8.190 nan 0.000 0.468 239 A N 0.756 123.561 122.820 -0.024 0.000 1.873 239 A HA -0.185 4.134 4.320 -0.001 0.000 0.215 239 A C 2.213 179.785 177.584 -0.019 0.000 1.186 239 A CA 1.963 53.995 52.037 -0.009 0.000 0.616 239 A CB -0.653 18.341 19.000 -0.011 0.000 0.823 239 A HN 0.633 nan 8.150 nan 0.000 0.442 240 E N 0.188 120.368 120.200 -0.034 0.000 2.072 240 E HA -0.037 4.312 4.350 -0.001 0.000 0.191 240 E C 1.966 178.538 176.600 -0.045 0.000 0.985 240 E CA 1.579 57.950 56.400 -0.050 0.000 0.801 240 E CB -0.870 28.794 29.700 -0.060 0.000 0.750 240 E HN 0.381 nan 8.360 nan 0.000 0.452 241 G N 0.696 109.482 108.800 -0.024 0.000 2.442 241 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.219 241 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.219 241 G C 1.760 176.679 174.900 0.031 0.000 1.141 241 G CA 0.934 46.041 45.100 0.013 0.000 0.763 241 G HN 0.339 nan 8.290 nan 0.000 0.554 242 R N 0.234 120.746 120.500 0.020 0.000 2.066 242 R HA 0.005 4.345 4.340 -0.001 0.000 0.232 242 R C 2.568 178.871 176.300 0.005 0.000 1.131 242 R CA 1.315 57.427 56.100 0.020 0.000 0.955 242 R CB -0.409 29.906 30.300 0.025 0.000 0.851 242 R HN 0.260 nan 8.270 nan 0.000 0.432 243 R N 0.717 121.210 120.500 -0.012 0.000 2.103 243 R HA -0.162 4.177 4.340 -0.001 0.000 0.242 243 R C 2.092 178.372 176.300 -0.032 0.000 1.142 243 R CA 1.936 58.019 56.100 -0.028 0.000 0.960 243 R CB -0.142 30.129 30.300 -0.048 0.000 0.858 243 R HN 0.320 nan 8.270 nan 0.000 0.439 244 R N -0.368 120.109 120.500 -0.039 0.000 2.090 244 R HA -0.007 4.333 4.340 -0.001 0.000 0.228 244 R C 2.382 178.731 176.300 0.083 0.000 1.110 244 R CA 1.141 57.212 56.100 -0.048 0.000 0.973 244 R CB -0.288 29.898 30.300 -0.189 0.000 0.869 244 R HN 0.234 nan 8.270 nan 0.000 0.440 245 A N 0.845 123.737 122.820 0.120 0.000 1.902 245 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 245 A C 2.342 179.938 177.584 0.020 0.000 1.181 245 A CA 1.392 53.483 52.037 0.090 0.000 0.623 245 A CB -0.535 18.461 19.000 -0.006 0.000 0.818 245 A HN 0.104 nan 8.150 nan 0.000 0.443 246 V N -0.091 119.828 119.914 0.008 0.000 2.343 246 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 246 V C 2.575 178.673 176.094 0.006 0.000 1.051 246 V CA 2.367 64.666 62.300 -0.002 0.000 1.036 246 V CB -0.710 31.110 31.823 -0.005 0.000 0.654 246 V HN 0.673 nan 8.190 nan 0.000 0.451 247 E N 0.149 120.353 120.200 0.008 0.000 2.150 247 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 247 E C 1.890 178.510 176.600 0.032 0.000 0.985 247 E CA 0.975 57.379 56.400 0.008 0.000 0.814 247 E CB -0.358 29.332 29.700 -0.017 0.000 0.752 247 E HN 0.441 nan 8.360 nan 0.000 0.466 248 L N -0.291 120.972 121.223 0.067 0.000 2.017 248 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 248 L C 2.172 179.065 176.870 0.037 0.000 1.073 248 L CA 2.367 57.261 54.840 0.090 0.000 0.745 248 L CB -1.056 41.092 42.059 0.147 0.000 0.894 248 L HN 0.234 nan 8.230 nan 0.000 0.432 249 G N -0.982 107.825 108.800 0.012 0.000 2.440 249 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.218 249 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.218 249 G C 1.806 176.715 174.900 0.016 0.000 1.154 249 G CA 0.811 45.913 45.100 0.004 0.000 0.767 249 G HN 0.413 nan 8.290 nan 0.000 0.552 250 R N 0.387 120.897 120.500 0.017 0.000 2.127 250 R HA -0.045 4.295 4.340 -0.001 0.000 0.238 250 R C 2.191 178.506 176.300 0.025 0.000 1.134 250 R CA 1.312 57.423 56.100 0.018 0.000 0.975 250 R CB -0.298 30.010 30.300 0.013 0.000 0.865 250 R HN 0.317 nan 8.270 nan 0.000 0.447 251 N N 0.189 118.908 118.700 0.032 0.000 2.396 251 N HA -0.096 4.644 4.740 -0.001 0.000 0.180 251 N C 0.846 176.382 175.510 0.043 0.000 1.028 251 N CA 0.842 53.917 53.050 0.041 0.000 0.893 251 N CB 0.201 38.720 38.487 0.054 0.000 0.967 251 N HN 0.273 nan 8.380 nan 0.000 0.440 252 L N 0.876 122.121 121.223 0.038 0.000 2.818 252 L HA 0.207 4.546 4.340 -0.001 0.000 0.243 252 L C -0.360 176.530 176.870 0.033 0.000 1.185 252 L CA -0.153 54.710 54.840 0.037 0.000 0.988 252 L CB -0.040 42.041 42.059 0.036 0.000 1.292 252 L HN 0.018 nan 8.230 nan 0.000 0.519 253 N N -0.748 117.970 118.700 0.030 0.000 2.727 253 N HA -0.174 4.565 4.740 -0.001 0.000 0.251 253 N C -0.283 175.244 175.510 0.030 0.000 1.040 253 N CA 0.468 53.535 53.050 0.028 0.000 0.712 253 N CB -2.027 36.478 38.487 0.029 0.000 0.912 253 N HN 0.266 nan 8.380 nan 0.000 0.545 254 c N 0.871 119.488 118.600 0.027 0.000 2.398 254 c HA 0.296 4.866 4.570 -0.001 0.000 0.364 254 c C 1.335 175.442 174.090 0.030 0.000 1.219 254 c CA -0.944 55.404 56.329 0.031 0.000 2.312 254 c CB 1.194 43.718 42.510 0.024 0.000 2.428 254 c HN 0.438 nan 8.230 nan 0.000 0.564 255 N N 1.731 120.453 118.700 0.038 0.000 2.475 255 N HA 0.132 4.871 4.740 -0.001 0.000 0.267 255 N C -0.189 175.336 175.510 0.026 0.000 1.169 255 N CA 0.239 53.308 53.050 0.032 0.000 0.947 255 N CB 0.440 38.951 38.487 0.040 0.000 1.061 255 N HN 0.625 nan 8.380 nan 0.000 0.466 256 L N 3.093 124.326 121.223 0.018 0.000 2.965 256 L HA 0.250 4.590 4.340 -0.001 0.000 0.254 256 L C 1.221 178.097 176.870 0.009 0.000 1.220 256 L CA -0.148 54.699 54.840 0.012 0.000 1.023 256 L CB -0.276 41.788 42.059 0.008 0.000 1.355 256 L HN 0.515 nan 8.230 nan 0.000 0.545 257 N N 0.124 118.831 118.700 0.011 0.000 2.396 257 N HA -0.056 4.683 4.740 -0.001 0.000 0.180 257 N C 0.424 175.937 175.510 0.006 0.000 1.028 257 N CA 0.680 53.735 53.050 0.008 0.000 0.893 257 N CB 0.355 38.847 38.487 0.008 0.000 0.967 257 N HN 0.376 nan 8.380 nan 0.000 0.440 258 S N -1.453 114.251 115.700 0.008 0.000 2.570 258 S HA 0.258 4.728 4.470 -0.001 0.000 0.270 258 S C -0.313 174.291 174.600 0.006 0.000 1.149 258 S CA -0.931 57.272 58.200 0.006 0.000 0.837 258 S CB 1.802 65.005 63.200 0.005 0.000 1.124 258 S HN -0.195 nan 8.310 nan 0.000 0.465 259 D N 1.331 121.732 120.400 0.002 0.000 2.116 259 D HA -0.105 4.535 4.640 -0.001 0.000 0.193 259 D C 1.563 177.870 176.300 0.011 0.000 0.998 259 D CA 2.091 56.089 54.000 -0.003 0.000 0.836 259 D CB -0.268 40.527 40.800 -0.008 0.000 0.951 259 D HN 0.755 nan 8.370 nan 0.000 0.449 260 E N 0.842 121.054 120.200 0.020 0.000 2.085 260 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 260 E C 2.031 178.672 176.600 0.068 0.000 0.994 260 E CA 0.882 57.307 56.400 0.041 0.000 0.801 260 E CB -0.152 29.564 29.700 0.025 0.000 0.743 260 E HN 0.285 nan 8.360 nan 0.000 0.453 261 E N 0.329 120.558 120.200 0.048 0.000 2.051 261 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 261 E C 2.147 178.800 176.600 0.088 0.000 0.991 261 E CA 0.669 57.109 56.400 0.067 0.000 0.799 261 E CB -0.424 29.299 29.700 0.037 0.000 0.748 261 E HN 0.183 nan 8.360 nan 0.000 0.449 262 L N 1.294 122.543 121.223 0.044 0.000 1.989 262 L HA -0.152 4.188 4.340 -0.001 0.000 0.211 262 L C 2.270 179.148 176.870 0.014 0.000 1.071 262 L CA 1.558 56.408 54.840 0.017 0.000 0.749 262 L CB -0.677 41.371 42.059 -0.018 0.000 0.890 262 L HN 0.064 nan 8.230 nan 0.000 0.431 263 I N -0.942 119.640 120.570 0.019 0.000 2.226 263 I HA -0.325 3.844 4.170 -0.001 0.000 0.245 263 I C 2.622 178.812 176.117 0.122 0.000 1.100 263 I CA 1.526 62.852 61.300 0.043 0.000 1.374 263 I CB -0.706 37.327 38.000 0.056 0.000 1.057 263 I HN 0.500 nan 8.210 nan 0.000 0.413 264 H N 0.584 119.690 119.070 0.060 0.000 2.321 264 H HA -0.262 4.293 4.556 -0.001 0.000 0.300 264 H C 2.491 177.858 175.328 0.065 0.000 1.087 264 H CA 2.321 58.406 56.048 0.062 0.000 1.319 264 H CB -0.201 29.584 29.762 0.039 0.000 1.379 264 H HN 0.494 nan 8.280 nan 0.000 0.501 265 c N 1.061 119.676 118.600 0.026 0.000 2.413 265 c HA -0.123 4.446 4.570 -0.001 0.000 0.276 265 c C 3.084 177.161 174.090 -0.023 0.000 1.236 265 c CA 1.008 57.333 56.329 -0.007 0.000 1.735 265 c CB -1.432 41.111 42.510 0.055 0.000 2.031 265 c HN 0.586 nan 8.230 nan 0.000 0.474 266 L N 0.190 121.434 121.223 0.036 0.000 2.191 266 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 266 L C 2.940 179.904 176.870 0.157 0.000 1.103 266 L CA 1.460 56.367 54.840 0.112 0.000 0.769 266 L CB -0.672 41.452 42.059 0.108 0.000 0.908 266 L HN 0.381 nan 8.230 nan 0.000 0.438 267 R N -0.484 120.071 120.500 0.091 0.000 2.236 267 R HA -0.063 4.277 4.340 -0.001 0.000 0.208 267 R C 1.663 177.904 176.300 -0.099 0.000 1.036 267 R CA 0.426 56.509 56.100 -0.029 0.000 1.001 267 R CB 0.083 30.356 30.300 -0.044 0.000 0.896 267 R HN 0.266 nan 8.270 nan 0.000 0.464 268 E N 0.591 120.710 120.200 -0.134 0.000 2.442 268 E HA 0.024 4.374 4.350 -0.001 0.000 0.195 268 E C 0.025 176.603 176.600 -0.037 0.000 1.030 268 E CA 0.539 56.872 56.400 -0.110 0.000 0.869 268 E CB 0.273 29.888 29.700 -0.141 0.000 0.857 268 E HN 0.040 nan 8.360 nan 0.000 0.505 269 K N 1.542 121.935 120.400 -0.012 0.000 2.270 269 K HA 0.185 4.505 4.320 -0.001 0.000 0.276 269 K C 0.446 177.070 176.600 0.041 0.000 1.023 269 K CA -0.151 56.149 56.287 0.021 0.000 0.955 269 K CB 0.992 33.513 32.500 0.035 0.000 0.975 269 K HN -0.090 nan 8.250 nan 0.000 0.471 270 K N 2.605 123.036 120.400 0.053 0.000 2.258 270 K HA 0.035 4.355 4.320 -0.001 0.000 0.264 270 K C -1.584 175.093 176.600 0.129 0.000 1.007 270 K CA -1.512 54.815 56.287 0.067 0.000 0.941 270 K CB 0.157 32.688 32.500 0.052 0.000 0.966 270 K HN 0.182 nan 8.250 nan 0.000 0.480 271 P HA -0.259 nan 4.420 nan 0.000 0.215 271 P C 1.163 178.651 177.300 0.314 0.000 1.163 271 P CA 1.355 64.655 63.100 0.334 0.000 0.894 271 P CB 0.224 31.973 31.700 0.082 0.000 0.791 272 Q N 0.028 119.933 119.800 0.176 0.000 2.297 272 Q HA -0.197 4.143 4.340 -0.001 0.000 0.208 272 Q C 1.845 177.939 176.000 0.156 0.000 0.981 272 Q CA 1.621 57.519 55.803 0.159 0.000 0.876 272 Q CB -0.813 27.985 28.738 0.100 0.000 0.921 272 Q HN 0.380 nan 8.270 nan 0.000 0.446 273 E N -1.018 119.262 120.200 0.133 0.000 2.107 273 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 273 E C 1.566 178.234 176.600 0.112 0.000 0.982 273 E CA 0.789 57.254 56.400 0.109 0.000 0.809 273 E CB 0.023 29.771 29.700 0.080 0.000 0.756 273 E HN 0.239 nan 8.360 nan 0.000 0.459 274 L N 0.647 121.938 121.223 0.113 0.000 2.027 274 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 274 L C 2.213 179.160 176.870 0.128 0.000 1.074 274 L CA 1.428 56.298 54.840 0.050 0.000 0.745 274 L CB -0.416 41.563 42.059 -0.135 0.000 0.898 274 L HN 0.130 nan 8.230 nan 0.000 0.433 275 I N -0.547 120.161 120.570 0.230 0.000 2.361 275 I HA -0.284 3.886 4.170 -0.001 0.000 0.251 275 I C 1.879 178.178 176.117 0.303 0.000 1.133 275 I CA 0.964 62.444 61.300 0.300 0.000 1.413 275 I CB -0.385 37.829 38.000 0.356 0.000 1.073 275 I HN 0.251 nan 8.210 nan 0.000 0.424 276 D N 0.278 120.823 120.400 0.241 0.000 2.221 276 D HA -0.123 4.516 4.640 -0.001 0.000 0.204 276 D C 1.937 178.375 176.300 0.230 0.000 0.982 276 D CA 1.520 55.660 54.000 0.233 0.000 0.857 276 D CB 0.078 40.976 40.800 0.162 0.000 0.934 276 D HN 0.388 nan 8.370 nan 0.000 0.475 277 V N -2.685 117.342 119.914 0.189 0.000 3.477 277 V HA 0.201 4.321 4.120 -0.001 0.000 0.297 277 V C 1.803 177.990 176.094 0.155 0.000 1.433 277 V CA 0.019 62.417 62.300 0.164 0.000 1.052 277 V CB 0.327 32.220 31.823 0.117 0.000 0.895 277 V HN -0.059 nan 8.190 nan 0.000 0.438 278 E N 0.952 121.238 120.200 0.143 0.000 2.086 278 E HA -0.289 4.060 4.350 -0.001 0.000 0.200 278 E C 1.597 178.127 176.600 -0.116 0.000 1.012 278 E CA 2.797 59.229 56.400 0.054 0.000 0.812 278 E CB -0.258 29.402 29.700 -0.066 0.000 0.743 278 E HN 0.810 nan 8.360 nan 0.000 0.453 279 W N 0.772 122.086 121.300 0.023 0.000 2.699 279 W HA -0.001 4.659 4.660 -0.000 0.000 0.249 279 W C 1.681 178.170 176.519 -0.049 0.000 1.280 279 W CA 0.139 57.446 57.345 -0.062 0.000 1.345 279 W CB -0.041 29.346 29.460 -0.122 0.000 1.128 279 W HN 0.104 nan 8.180 nan 0.000 0.642 280 N N 0.242 119.037 118.700 0.159 0.000 2.550 280 N HA -0.094 4.645 4.740 -0.001 0.000 0.186 280 N C 1.656 177.177 175.510 0.018 0.000 1.110 280 N CA 1.367 54.469 53.050 0.087 0.000 0.912 280 N CB -0.501 38.036 38.487 0.083 0.000 0.968 280 N HN 0.268 nan 8.380 nan 0.000 0.448 281 V N -2.227 117.667 119.914 -0.034 0.000 3.647 281 V HA 0.262 4.382 4.120 -0.001 0.000 0.279 281 V C 0.705 176.703 176.094 -0.160 0.000 1.314 281 V CA -0.176 62.064 62.300 -0.101 0.000 1.125 281 V CB -0.671 31.071 31.823 -0.135 0.000 0.907 281 V HN -0.020 nan 8.190 nan 0.000 0.434 282 L N 2.585 123.734 121.223 -0.123 0.000 2.490 282 L HA 0.198 4.538 4.340 -0.001 0.000 0.274 282 L C -0.268 176.474 176.870 -0.214 0.000 1.201 282 L CA -0.804 53.952 54.840 -0.140 0.000 0.869 282 L CB 0.748 42.791 42.059 -0.027 0.000 1.123 282 L HN 0.172 nan 8.230 nan 0.000 0.484 283 P HA -0.061 nan 4.420 nan 0.000 0.220 283 P C -0.164 176.673 177.300 -0.772 0.000 1.152 283 P CA 1.147 63.831 63.100 -0.694 0.000 0.812 283 P CB 0.279 31.326 31.700 -1.087 0.000 0.792 284 F N -0.403 119.548 119.950 0.002 0.000 2.579 284 F HA 0.399 4.926 4.527 -0.001 0.000 0.324 284 F C 0.521 176.325 175.800 0.007 0.000 1.058 284 F CA -1.776 56.229 58.000 0.008 0.000 0.944 284 F CB 0.102 39.112 39.000 0.016 0.000 1.245 284 F HN -0.341 nan 8.300 nan 0.000 0.477 285 D N 1.325 121.854 120.400 0.215 0.000 2.371 285 D HA 0.377 5.017 4.640 -0.001 0.000 0.256 285 D C -0.552 175.819 176.300 0.117 0.000 1.193 285 D CA 0.537 54.606 54.000 0.114 0.000 0.881 285 D CB 0.442 41.291 40.800 0.082 0.000 1.143 285 D HN 0.646 nan 8.370 nan 0.000 0.473 286 S N 2.539 118.290 115.700 0.084 0.000 2.615 286 S HA 0.657 5.127 4.470 -0.001 0.000 0.269 286 S C -1.078 173.538 174.600 0.027 0.000 1.161 286 S CA -0.963 57.280 58.200 0.072 0.000 0.817 286 S CB 1.015 64.294 63.200 0.132 0.000 1.131 286 S HN 0.269 nan 8.310 nan 0.000 0.467 287 I N 0.766 121.346 120.570 0.016 0.000 2.689 287 I HA 0.747 4.916 4.170 -0.001 0.000 0.299 287 I C -0.653 175.465 176.117 0.003 0.000 1.059 287 I CA -0.660 60.642 61.300 0.003 0.000 1.055 287 I CB 1.452 39.454 38.000 0.003 0.000 1.243 287 I HN 0.864 nan 8.210 nan 0.000 0.425 288 F N 5.107 124.893 119.950 -0.274 0.000 3.071 288 F HA -0.222 4.305 4.527 -0.001 0.000 0.295 288 F C -0.502 174.820 175.800 -0.796 0.000 0.919 288 F CA 0.419 58.025 58.000 -0.656 0.000 1.050 288 F CB -0.681 37.825 39.000 -0.823 0.000 1.040 288 F HN 0.419 nan 8.300 nan 0.000 0.692 289 R N 0.536 120.671 120.500 -0.607 0.000 2.621 289 R HA 0.642 4.981 4.340 -0.001 0.000 0.284 289 R C -1.017 174.945 176.300 -0.564 0.000 0.998 289 R CA -0.602 55.231 56.100 -0.444 0.000 0.895 289 R CB 1.289 31.549 30.300 -0.068 0.000 1.195 289 R HN -0.004 nan 8.270 nan 0.000 0.450 290 F N -0.674 119.402 119.950 0.209 0.000 2.546 290 F HA 0.377 4.904 4.527 -0.001 0.000 0.320 290 F C 1.610 177.339 175.800 -0.118 0.000 1.076 290 F CA -0.773 57.265 58.000 0.064 0.000 0.928 290 F CB 1.787 40.938 39.000 0.251 0.000 1.189 290 F HN 0.360 nan 8.300 nan 0.000 0.465 291 S N 0.692 116.259 115.700 -0.221 0.000 2.348 291 S HA -0.062 4.407 4.470 -0.001 0.000 0.221 291 S C 0.068 174.213 174.600 -0.759 0.000 1.033 291 S CA 1.290 59.140 58.200 -0.582 0.000 1.010 291 S CB -0.250 62.420 63.200 -0.883 0.000 0.891 291 S HN 0.341 nan 8.310 nan 0.000 0.442 292 F N 1.616 121.601 119.950 0.059 0.000 2.347 292 F HA 0.553 5.079 4.527 -0.001 0.000 0.366 292 F C 0.046 175.883 175.800 0.060 0.000 1.107 292 F CA -1.026 57.038 58.000 0.107 0.000 1.058 292 F CB 1.061 40.167 39.000 0.176 0.000 1.236 292 F HN -0.090 nan 8.300 nan 0.000 0.456 293 V N 0.734 120.657 119.914 0.015 0.000 3.158 293 V HA 0.759 4.879 4.120 -0.001 0.000 0.311 293 V C -2.863 172.983 176.094 -0.412 0.000 1.181 293 V CA -3.339 58.686 62.300 -0.459 0.000 1.054 293 V CB 1.914 33.602 31.823 -0.224 0.000 1.085 293 V HN 0.247 nan 8.190 nan 0.000 0.446 294 P HA 0.227 nan 4.420 nan 0.000 0.267 294 P C -0.627 176.612 177.300 -0.102 0.000 1.201 294 P CA 0.327 63.273 63.100 -0.257 0.000 0.775 294 P CB 0.399 31.874 31.700 -0.375 0.000 0.854 295 V N 0.722 120.665 119.914 0.047 0.000 2.628 295 V HA 0.430 4.550 4.120 -0.001 0.000 0.306 295 V C -0.054 176.099 176.094 0.100 0.000 1.045 295 V CA -0.849 61.465 62.300 0.022 0.000 0.905 295 V CB 1.795 33.641 31.823 0.039 0.000 0.997 295 V HN 0.214 nan 8.190 nan 0.000 0.436 296 I N 5.136 125.692 120.570 -0.023 0.000 2.357 296 I HA 0.197 4.367 4.170 -0.001 0.000 0.300 296 I C 0.821 176.947 176.117 0.015 0.000 1.159 296 I CA 0.279 61.583 61.300 0.007 0.000 1.339 296 I CB -0.048 37.877 38.000 -0.126 0.000 1.458 296 I HN 0.975 nan 8.210 nan 0.000 0.577 297 D N 3.207 123.678 120.400 0.119 0.000 2.369 297 D HA 0.093 4.733 4.640 -0.001 0.000 0.211 297 D C 1.368 177.678 176.300 0.015 0.000 1.077 297 D CA 0.583 54.554 54.000 -0.048 0.000 0.842 297 D CB 0.589 41.444 40.800 0.093 0.000 0.947 297 D HN 0.642 nan 8.370 nan 0.000 0.509 298 G N 0.435 109.297 108.800 0.102 0.000 2.205 298 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.261 298 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.261 298 G C 0.833 175.806 174.900 0.121 0.000 0.980 298 G CA 0.671 45.834 45.100 0.106 0.000 0.632 298 G HN 0.475 nan 8.290 nan 0.000 0.533 299 E N -1.413 118.872 120.200 0.141 0.000 2.592 299 E HA 0.391 4.741 4.350 -0.001 0.000 0.184 299 E C 1.811 178.436 176.600 0.042 0.000 1.056 299 E CA -0.143 56.316 56.400 0.098 0.000 1.151 299 E CB -0.073 29.701 29.700 0.124 0.000 1.435 299 E HN 0.196 nan 8.360 nan 0.000 0.496 300 F N 1.022 120.906 119.950 -0.111 0.000 2.126 300 F HA -0.057 4.470 4.527 -0.001 0.000 0.299 300 F C 0.238 175.766 175.800 -0.454 0.000 1.096 300 F CA 1.194 58.990 58.000 -0.339 0.000 1.255 300 F CB 0.251 38.945 39.000 -0.509 0.000 0.997 300 F HN -0.120 nan 8.300 nan 0.000 0.479 301 F N 1.585 121.682 119.950 0.244 0.000 2.375 301 F HA 0.344 4.871 4.527 -0.001 0.000 0.361 301 F C -1.438 174.403 175.800 0.069 0.000 1.117 301 F CA -2.966 55.118 58.000 0.141 0.000 1.037 301 F CB 0.580 39.660 39.000 0.133 0.000 1.192 301 F HN -0.219 nan 8.300 nan 0.000 0.452 302 P HA -0.073 nan 4.420 nan 0.000 0.217 302 P C 0.410 177.770 177.300 0.100 0.000 1.150 302 P CA 1.354 64.517 63.100 0.105 0.000 0.832 302 P CB 0.325 32.058 31.700 0.055 0.000 0.787 303 T N -4.416 110.204 114.554 0.110 0.000 2.654 303 T HA 0.432 4.782 4.350 -0.001 0.000 0.289 303 T C -0.211 174.527 174.700 0.063 0.000 1.062 303 T CA -0.570 61.572 62.100 0.070 0.000 1.041 303 T CB 0.968 69.864 68.868 0.047 0.000 1.417 303 T HN 0.063 nan 8.240 nan 0.000 0.510 304 S N 0.127 115.841 115.700 0.022 0.000 2.563 304 S HA 0.163 4.633 4.470 -0.001 0.000 0.284 304 S C 1.531 176.128 174.600 -0.006 0.000 1.331 304 S CA -0.719 57.471 58.200 -0.017 0.000 1.047 304 S CB -0.380 62.806 63.200 -0.024 0.000 0.859 304 S HN 0.662 nan 8.310 nan 0.000 0.514 305 L N 0.649 121.829 121.223 -0.072 0.000 2.042 305 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 305 L C 2.923 179.819 176.870 0.043 0.000 1.076 305 L CA 2.023 56.837 54.840 -0.045 0.000 0.749 305 L CB -0.789 41.174 42.059 -0.160 0.000 0.893 305 L HN 0.812 nan 8.230 nan 0.000 0.432 306 E N 0.661 120.883 120.200 0.036 0.000 2.077 306 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 306 E C 2.246 178.904 176.600 0.097 0.000 0.989 306 E CA 1.706 58.162 56.400 0.093 0.000 0.800 306 E CB -0.080 29.662 29.700 0.071 0.000 0.746 306 E HN 0.488 nan 8.360 nan 0.000 0.452 307 S N -0.539 115.201 115.700 0.066 0.000 2.406 307 S HA -0.116 4.354 4.470 -0.001 0.000 0.228 307 S C 2.118 176.763 174.600 0.075 0.000 1.020 307 S CA 1.068 59.306 58.200 0.063 0.000 0.965 307 S CB -0.330 62.893 63.200 0.039 0.000 0.798 307 S HN 0.238 nan 8.310 nan 0.000 0.488 308 M N 0.969 120.627 119.600 0.098 0.000 2.117 308 M HA 0.030 4.510 4.480 -0.001 0.000 0.262 308 M C 2.184 178.621 176.300 0.227 0.000 1.065 308 M CA 1.424 56.806 55.300 0.137 0.000 1.114 308 M CB -0.647 32.064 32.600 0.185 0.000 1.361 308 M HN 0.312 nan 8.290 nan 0.000 0.408 309 L N -0.091 121.275 121.223 0.239 0.000 2.046 309 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 309 L C 2.232 179.275 176.870 0.289 0.000 1.077 309 L CA 0.902 55.923 54.840 0.300 0.000 0.747 309 L CB -0.784 41.362 42.059 0.145 0.000 0.896 309 L HN 0.348 nan 8.230 nan 0.000 0.432 310 N N -0.219 118.589 118.700 0.180 0.000 2.120 310 N HA -0.147 4.593 4.740 -0.001 0.000 0.188 310 N C 1.912 177.510 175.510 0.147 0.000 1.024 310 N CA 1.767 54.919 53.050 0.169 0.000 0.852 310 N CB -0.174 38.384 38.487 0.119 0.000 1.003 310 N HN 0.338 nan 8.380 nan 0.000 0.424 311 S N -1.001 114.709 115.700 0.016 0.000 2.593 311 S HA 0.246 4.715 4.470 -0.001 0.000 0.217 311 S C 1.266 175.539 174.600 -0.546 0.000 0.966 311 S CA 0.434 58.560 58.200 -0.124 0.000 0.914 311 S CB 0.069 63.212 63.200 -0.096 0.000 0.776 311 S HN 0.405 nan 8.310 nan 0.000 0.523 312 G N 1.962 110.245 108.800 -0.862 0.000 2.179 312 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.257 312 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.257 312 G C 0.026 174.063 174.900 -1.438 0.000 1.010 312 G CA 0.141 44.041 45.100 -1.999 0.000 0.736 312 G HN 0.632 nan 8.290 nan 0.000 0.513 313 N N 0.638 118.937 118.700 -0.668 0.000 2.819 313 N HA 0.497 5.236 4.740 -0.001 0.000 0.284 313 N C -0.160 175.289 175.510 -0.101 0.000 1.196 313 N CA -0.047 52.798 53.050 -0.342 0.000 1.114 313 N CB -0.917 37.500 38.487 -0.116 0.000 1.437 313 N HN 0.730 nan 8.380 nan 0.000 0.518 314 F N -1.064 118.827 119.950 -0.097 0.000 2.799 314 F HA 0.378 4.904 4.527 -0.000 0.000 0.316 314 F C -0.377 175.441 175.800 0.030 0.000 1.155 314 F CA -1.429 56.586 58.000 0.025 0.000 0.916 314 F CB 0.570 39.651 39.000 0.136 0.000 1.294 314 F HN -0.136 nan 8.300 nan 0.000 0.447 315 K N 1.714 122.357 120.400 0.405 0.000 2.447 315 K HA 0.187 4.507 4.320 -0.001 0.000 0.281 315 K C -1.043 175.801 176.600 0.407 0.000 1.031 315 K CA -0.061 56.386 56.287 0.266 0.000 1.019 315 K CB 0.478 33.094 32.500 0.193 0.000 0.918 315 K HN 0.676 nan 8.250 nan 0.000 0.476 316 K N 2.707 123.219 120.400 0.187 0.000 2.263 316 K HA 0.215 4.535 4.320 -0.001 0.000 0.272 316 K C -0.297 176.427 176.600 0.207 0.000 1.033 316 K CA -0.247 56.155 56.287 0.191 0.000 0.884 316 K CB 1.902 34.419 32.500 0.029 0.000 1.107 316 K HN 0.666 nan 8.250 nan 0.000 0.460 317 T N 1.292 116.055 114.554 0.348 0.000 2.647 317 T HA 0.282 4.632 4.350 -0.001 0.000 0.302 317 T C -1.466 173.440 174.700 0.343 0.000 1.389 317 T CA -0.682 61.567 62.100 0.249 0.000 1.037 317 T CB 0.598 69.579 68.868 0.187 0.000 1.755 317 T HN 0.388 nan 8.240 nan 0.000 0.467 318 Q N 0.950 120.915 119.800 0.276 0.000 2.214 318 Q HA 0.782 5.122 4.340 -0.001 0.000 0.251 318 Q C -0.370 175.909 176.000 0.466 0.000 0.936 318 Q CA -0.514 55.505 55.803 0.360 0.000 0.894 318 Q CB 1.416 30.345 28.738 0.318 0.000 1.252 318 Q HN 0.693 nan 8.270 nan 0.000 0.448 319 I N -1.581 119.206 120.570 0.362 0.000 2.894 319 I HA 0.702 4.872 4.170 -0.001 0.000 0.302 319 I C -1.585 174.406 176.117 -0.210 0.000 1.188 319 I CA -1.384 59.981 61.300 0.108 0.000 1.014 319 I CB 1.931 39.819 38.000 -0.186 0.000 1.242 319 I HN 0.560 nan 8.210 nan 0.000 0.430 320 L N 6.793 127.641 121.223 -0.625 0.000 2.409 320 L HA 0.811 5.150 4.340 -0.001 0.000 0.272 320 L C -1.410 175.214 176.870 -0.410 0.000 0.980 320 L CA -0.507 53.880 54.840 -0.754 0.000 0.826 320 L CB 1.697 42.793 42.059 -1.606 0.000 1.268 320 L HN 0.862 nan 8.230 nan 0.000 0.407 321 L N 2.395 123.509 121.223 -0.181 0.000 2.720 321 L HA 1.107 5.446 4.340 -0.001 0.000 0.261 321 L C -0.836 175.797 176.870 -0.396 0.000 1.046 321 L CA -0.411 54.347 54.840 -0.137 0.000 0.886 321 L CB 1.886 43.867 42.059 -0.130 0.000 1.493 321 L HN 0.687 nan 8.230 nan 0.000 0.407 322 G N -0.150 108.215 108.800 -0.724 0.000 2.430 322 G HA2 0.590 4.550 3.960 -0.001 0.000 0.300 322 G HA3 0.590 4.550 3.960 -0.001 0.000 0.300 322 G C -1.558 172.994 174.900 -0.579 0.000 1.330 322 G CA 0.006 44.330 45.100 -1.294 0.000 0.813 322 G HN 1.497 nan 8.290 nan 0.000 0.487 323 V N -2.454 117.305 119.914 -0.259 0.000 3.160 323 V HA 0.870 4.990 4.120 -0.001 0.000 0.310 323 V C -1.032 175.197 176.094 0.226 0.000 1.181 323 V CA -1.418 60.943 62.300 0.103 0.000 1.047 323 V CB 1.932 33.827 31.823 0.121 0.000 1.068 323 V HN 0.689 nan 8.190 nan 0.000 0.441 324 N N 0.851 119.687 118.700 0.227 0.000 2.472 324 N HA 0.435 5.174 4.740 -0.001 0.000 0.289 324 N C 0.554 176.060 175.510 -0.007 0.000 1.156 324 N CA -0.530 52.622 53.050 0.169 0.000 0.940 324 N CB 1.740 40.418 38.487 0.317 0.000 1.200 324 N HN 0.934 nan 8.380 nan 0.000 0.511 325 K N -0.031 120.260 120.400 -0.182 0.000 2.097 325 K HA -0.066 4.254 4.320 -0.001 0.000 0.206 325 K C -0.608 176.079 176.600 0.146 0.000 1.049 325 K CA 1.302 57.557 56.287 -0.053 0.000 0.933 325 K CB 0.209 32.681 32.500 -0.046 0.000 0.717 325 K HN 0.498 nan 8.250 nan 0.000 0.442 326 D N 1.051 121.533 120.400 0.138 0.000 2.886 326 D HA 0.030 4.669 4.640 -0.001 0.000 0.355 326 D C 0.176 176.566 176.300 0.150 0.000 1.274 326 D CA -0.092 53.996 54.000 0.147 0.000 0.836 326 D CB 1.147 42.023 40.800 0.126 0.000 1.109 326 D HN 0.163 nan 8.370 nan 0.000 0.488 327 E N 0.584 120.884 120.200 0.167 0.000 2.130 327 E HA -0.159 4.191 4.350 -0.001 0.000 0.196 327 E C 1.974 178.619 176.600 0.075 0.000 0.998 327 E CA 0.971 57.477 56.400 0.176 0.000 0.806 327 E CB -0.008 29.777 29.700 0.142 0.000 0.738 327 E HN 0.413 nan 8.360 nan 0.000 0.459 328 G N 1.105 109.936 108.800 0.051 0.000 2.650 328 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.214 328 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.214 328 G C 1.694 176.617 174.900 0.039 0.000 1.136 328 G CA 0.866 45.988 45.100 0.038 0.000 0.789 328 G HN 0.371 nan 8.290 nan 0.000 0.536 329 S N 1.493 117.219 115.700 0.043 0.000 2.374 329 S HA -0.223 4.247 4.470 -0.001 0.000 0.227 329 S C 2.158 176.734 174.600 -0.039 0.000 1.037 329 S CA 1.682 59.911 58.200 0.048 0.000 1.024 329 S CB -0.635 62.554 63.200 -0.018 0.000 0.861 329 S HN 0.675 nan 8.310 nan 0.000 0.456 330 F N 1.554 121.381 119.950 -0.204 0.000 2.407 330 F HA 0.294 4.821 4.527 -0.001 0.000 0.299 330 F C 1.471 177.074 175.800 -0.327 0.000 1.097 330 F CA -0.315 57.467 58.000 -0.363 0.000 1.422 330 F CB -1.085 37.541 39.000 -0.623 0.000 1.067 330 F HN 0.137 nan 8.300 nan 0.000 0.539 331 F N 0.755 120.331 119.950 -0.624 0.000 2.293 331 F HA 0.005 4.531 4.527 -0.001 0.000 0.300 331 F C 2.083 177.762 175.800 -0.201 0.000 1.086 331 F CA 1.006 58.731 58.000 -0.459 0.000 1.375 331 F CB -0.772 37.824 39.000 -0.673 0.000 1.045 331 F HN 0.047 nan 8.300 nan 0.000 0.516 332 L N -1.006 120.155 121.223 -0.103 0.000 2.095 332 L HA -0.127 4.213 4.340 -0.001 0.000 0.204 332 L C 2.391 179.130 176.870 -0.219 0.000 1.080 332 L CA 0.331 54.928 54.840 -0.404 0.000 0.759 332 L CB -0.604 40.815 42.059 -1.066 0.000 0.914 332 L HN 0.128 nan 8.230 nan 0.000 0.439 333 L N -0.664 120.637 121.223 0.129 0.000 1.990 333 L HA -0.274 4.066 4.340 -0.001 0.000 0.213 333 L C 2.326 179.350 176.870 0.257 0.000 1.072 333 L CA 2.127 57.202 54.840 0.392 0.000 0.755 333 L CB -0.763 41.551 42.059 0.424 0.000 0.889 333 L HN 0.131 nan 8.230 nan 0.000 0.432 334 Y N -0.749 119.618 120.300 0.112 0.000 2.457 334 Y HA 0.157 4.707 4.550 -0.001 0.000 0.292 334 Y C 2.240 178.133 175.900 -0.011 0.000 1.125 334 Y CA 1.093 59.226 58.100 0.055 0.000 1.254 334 Y CB -0.192 38.278 38.460 0.016 0.000 1.012 334 Y HN 0.321 nan 8.280 nan 0.000 0.555 335 G N -1.762 107.110 108.800 0.121 0.000 3.443 335 G HA2 0.481 4.441 3.960 -0.001 0.000 0.252 335 G HA3 0.481 4.441 3.960 -0.001 0.000 0.252 335 G C -0.227 174.696 174.900 0.038 0.000 1.015 335 G CA 0.383 45.509 45.100 0.044 0.000 0.891 335 G HN 0.255 nan 8.290 nan 0.000 0.510 336 A N 1.486 124.342 122.820 0.061 0.000 2.350 336 A HA 0.837 5.157 4.320 -0.001 0.000 0.324 336 A C -2.614 175.116 177.584 0.244 0.000 1.118 336 A CA -1.619 50.490 52.037 0.120 0.000 0.783 336 A CB 1.607 20.656 19.000 0.081 0.000 1.236 336 A HN 0.042 nan 8.150 nan 0.000 0.457 337 P HA 0.257 nan 4.420 nan 0.000 0.268 337 P C 0.824 178.188 177.300 0.106 0.000 1.204 337 P CA 1.505 64.676 63.100 0.118 0.000 0.768 337 P CB 1.081 32.818 31.700 0.061 0.000 0.842 338 G N 1.667 110.478 108.800 0.019 0.000 2.194 338 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.236 338 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.236 338 G C -0.275 174.443 174.900 -0.304 0.000 0.987 338 G CA -0.484 44.521 45.100 -0.158 0.000 0.635 338 G HN 0.444 nan 8.290 nan 0.000 0.520 339 F N 2.125 122.022 119.950 -0.088 0.000 2.421 339 F HA 0.676 5.203 4.527 -0.001 0.000 0.337 339 F C 0.769 176.586 175.800 0.029 0.000 1.105 339 F CA 0.116 58.037 58.000 -0.132 0.000 1.049 339 F CB 2.242 41.203 39.000 -0.065 0.000 1.139 339 F HN 0.369 nan 8.300 nan 0.000 0.479 340 S N 1.706 117.564 115.700 0.265 0.000 2.570 340 S HA 0.347 4.817 4.470 -0.001 0.000 0.270 340 S C 0.232 175.090 174.600 0.432 0.000 1.149 340 S CA -1.111 57.272 58.200 0.304 0.000 0.837 340 S CB 2.024 65.317 63.200 0.155 0.000 1.124 340 S HN 0.691 nan 8.310 nan 0.000 0.465 341 K N 0.135 120.728 120.400 0.321 0.000 2.097 341 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 341 K C 0.025 176.703 176.600 0.130 0.000 1.049 341 K CA 1.820 58.209 56.287 0.171 0.000 0.933 341 K CB -0.211 32.104 32.500 -0.309 0.000 0.717 341 K HN 0.653 nan 8.250 nan 0.000 0.442 342 D N 0.488 120.941 120.400 0.088 0.000 2.358 342 D HA 0.022 4.662 4.640 -0.001 0.000 0.224 342 D C -0.115 176.242 176.300 0.095 0.000 1.123 342 D CA 0.142 54.175 54.000 0.054 0.000 0.833 342 D CB 0.707 41.505 40.800 -0.005 0.000 0.946 342 D HN 0.192 nan 8.370 nan 0.000 0.505 343 S N -1.206 114.586 115.700 0.153 0.000 2.667 343 S HA 0.324 4.793 4.470 -0.001 0.000 0.292 343 S C 0.702 175.379 174.600 0.128 0.000 1.126 343 S CA -0.746 57.507 58.200 0.088 0.000 0.881 343 S CB 2.434 65.639 63.200 0.010 0.000 1.132 343 S HN -0.140 nan 8.310 nan 0.000 0.492 344 E N 0.773 121.001 120.200 0.046 0.000 2.472 344 E HA 0.036 4.385 4.350 -0.001 0.000 0.200 344 E C -0.380 176.030 176.600 -0.317 0.000 1.046 344 E CA 0.513 56.933 56.400 0.033 0.000 0.871 344 E CB -0.247 29.469 29.700 0.027 0.000 0.806 344 E HN 0.727 nan 8.360 nan 0.000 0.533 345 S N 1.053 116.509 115.700 -0.405 0.000 3.711 345 S HA -0.168 4.302 4.470 -0.001 0.000 0.374 345 S C -0.300 173.926 174.600 -0.624 0.000 0.969 345 S CA 0.642 58.436 58.200 -0.678 0.000 1.198 345 S CB -1.133 61.279 63.200 -1.313 0.000 0.903 345 S HN 0.272 nan 8.310 nan 0.000 0.493 346 K N 0.912 121.089 120.400 -0.371 0.000 2.339 346 K HA 0.319 4.639 4.320 -0.001 0.000 0.286 346 K C 0.269 176.677 176.600 -0.321 0.000 1.050 346 K CA -0.256 55.863 56.287 -0.280 0.000 0.956 346 K CB 0.448 32.848 32.500 -0.167 0.000 0.990 346 K HN 0.197 nan 8.250 nan 0.000 0.475 347 I N 2.785 123.171 120.570 -0.307 0.000 2.359 347 I HA 0.056 4.225 4.170 -0.001 0.000 0.294 347 I C 0.983 177.020 176.117 -0.133 0.000 0.987 347 I CA -0.293 60.842 61.300 -0.275 0.000 1.225 347 I CB 1.213 39.044 38.000 -0.281 0.000 1.366 347 I HN 0.684 nan 8.210 nan 0.000 0.466 348 S N 7.067 122.708 115.700 -0.099 0.000 2.608 348 S HA 0.304 4.774 4.470 -0.001 0.000 0.261 348 S C 1.195 175.795 174.600 0.000 0.000 1.314 348 S CA -0.503 57.666 58.200 -0.052 0.000 0.992 348 S CB 1.231 64.407 63.200 -0.039 0.000 0.935 348 S HN 0.483 nan 8.310 nan 0.000 0.564 349 R N 0.820 121.318 120.500 -0.002 0.000 2.148 349 R HA -0.019 4.321 4.340 -0.001 0.000 0.227 349 R C 2.418 178.787 176.300 0.116 0.000 1.103 349 R CA 1.169 57.291 56.100 0.035 0.000 0.983 349 R CB -1.314 28.992 30.300 0.010 0.000 0.874 349 R HN 0.827 nan 8.270 nan 0.000 0.451 350 E N 0.598 120.840 120.200 0.070 0.000 2.047 350 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 350 E C 1.512 178.160 176.600 0.079 0.000 0.987 350 E CA 1.280 57.722 56.400 0.071 0.000 0.799 350 E CB -0.317 29.405 29.700 0.038 0.000 0.752 350 E HN 0.423 nan 8.360 nan 0.000 0.449 351 D N -0.600 119.836 120.400 0.060 0.000 2.219 351 D HA -0.031 4.609 4.640 -0.001 0.000 0.205 351 D C 1.605 177.966 176.300 0.102 0.000 0.970 351 D CA 0.548 54.578 54.000 0.050 0.000 0.851 351 D CB -0.365 40.424 40.800 -0.019 0.000 0.943 351 D HN 0.277 nan 8.370 nan 0.000 0.488 352 F N 0.971 120.915 119.950 -0.010 0.000 2.102 352 F HA -0.134 4.392 4.527 -0.001 0.000 0.298 352 F C 2.278 178.097 175.800 0.031 0.000 1.105 352 F CA 1.305 59.313 58.000 0.014 0.000 1.239 352 F CB -0.146 38.844 39.000 -0.018 0.000 0.991 352 F HN -0.165 nan 8.300 nan 0.000 0.474 353 M N -0.140 119.567 119.600 0.179 0.000 2.175 353 M HA -0.157 4.323 4.480 -0.001 0.000 0.264 353 M C 2.384 178.673 176.300 -0.019 0.000 1.063 353 M CA 1.742 57.086 55.300 0.073 0.000 1.119 353 M CB -0.562 32.135 32.600 0.160 0.000 1.377 353 M HN 0.357 nan 8.290 nan 0.000 0.415 354 S N -0.058 115.646 115.700 0.008 0.000 2.423 354 S HA -0.036 4.433 4.470 -0.001 0.000 0.231 354 S C 1.970 176.549 174.600 -0.036 0.000 1.014 354 S CA 1.015 59.213 58.200 -0.004 0.000 0.965 354 S CB -1.102 62.109 63.200 0.019 0.000 0.785 354 S HN 0.529 nan 8.310 nan 0.000 0.495 355 G N 1.864 110.626 108.800 -0.062 0.000 2.418 355 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.217 355 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.217 355 G C 1.585 176.372 174.900 -0.188 0.000 1.158 355 G CA 1.031 46.076 45.100 -0.091 0.000 0.771 355 G HN 0.793 nan 8.290 nan 0.000 0.545 356 V N 0.224 119.958 119.914 -0.299 0.000 2.515 356 V HA 0.000 4.120 4.120 -0.001 0.000 0.250 356 V C 2.526 178.532 176.094 -0.146 0.000 1.058 356 V CA 2.663 64.809 62.300 -0.258 0.000 1.064 356 V CB -0.365 31.287 31.823 -0.284 0.000 0.675 356 V HN 0.262 nan 8.190 nan 0.000 0.461 357 K N 0.302 120.635 120.400 -0.110 0.000 2.026 357 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 357 K C 1.884 178.435 176.600 -0.081 0.000 1.048 357 K CA 2.134 58.370 56.287 -0.086 0.000 0.929 357 K CB -0.947 31.523 32.500 -0.050 0.000 0.713 357 K HN 0.461 nan 8.250 nan 0.000 0.439 358 L N 0.717 121.904 121.223 -0.060 0.000 2.131 358 L HA -0.053 4.287 4.340 -0.001 0.000 0.210 358 L C 2.023 178.867 176.870 -0.044 0.000 1.092 358 L CA 1.695 56.515 54.840 -0.034 0.000 0.759 358 L CB -0.828 41.218 42.059 -0.022 0.000 0.903 358 L HN 0.156 nan 8.230 nan 0.000 0.435 359 S N -1.879 113.772 115.700 -0.080 0.000 2.470 359 S HA 0.073 4.543 4.470 -0.001 0.000 0.225 359 S C 0.880 175.415 174.600 -0.107 0.000 1.006 359 S CA 0.288 58.439 58.200 -0.081 0.000 0.934 359 S CB 0.312 63.441 63.200 -0.118 0.000 0.778 359 S HN 0.147 nan 8.310 nan 0.000 0.517 360 V N 3.202 123.010 119.914 -0.177 0.000 2.405 360 V HA 0.204 4.324 4.120 -0.001 0.000 0.253 360 V C -1.766 174.099 176.094 -0.382 0.000 0.963 360 V CA -1.401 60.688 62.300 -0.352 0.000 1.003 360 V CB 0.959 32.569 31.823 -0.355 0.000 1.251 360 V HN 0.146 nan 8.190 nan 0.000 0.520 361 P HA -0.220 nan 4.420 nan 0.000 0.216 361 P C 1.184 178.111 177.300 -0.620 0.000 1.150 361 P CA 1.708 64.651 63.100 -0.262 0.000 0.843 361 P CB -0.023 31.674 31.700 -0.005 0.000 0.787 362 H N -1.031 117.718 119.070 -0.535 0.000 2.547 362 H HA 0.463 5.019 4.556 -0.001 0.000 0.266 362 H C 0.461 175.587 175.328 -0.337 0.000 0.988 362 H CA -0.065 55.642 56.048 -0.568 0.000 1.147 362 H CB -0.567 29.025 29.762 -0.283 0.000 1.365 362 H HN 0.014 nan 8.280 nan 0.000 0.589 363 A N 2.185 124.693 122.820 -0.520 0.000 2.310 363 A HA 0.305 4.624 4.320 -0.001 0.000 0.299 363 A C 0.262 177.717 177.584 -0.216 0.000 1.147 363 A CA -0.635 51.196 52.037 -0.344 0.000 0.818 363 A CB 0.619 19.409 19.000 -0.351 0.000 1.096 363 A HN 0.621 nan 8.150 nan 0.000 0.495 364 N N 1.182 119.792 118.700 -0.149 0.000 2.327 364 N HA 0.126 4.866 4.740 -0.001 0.000 0.257 364 N C -0.068 175.395 175.510 -0.079 0.000 1.281 364 N CA -0.238 52.753 53.050 -0.099 0.000 0.942 364 N CB 0.112 38.555 38.487 -0.073 0.000 1.199 364 N HN 0.472 nan 8.380 nan 0.000 0.532 365 D N -0.936 119.435 120.400 -0.049 0.000 2.149 365 D HA -0.122 4.517 4.640 -0.001 0.000 0.198 365 D C 1.670 177.962 176.300 -0.013 0.000 0.990 365 D CA 0.783 54.767 54.000 -0.026 0.000 0.839 365 D CB -0.263 40.529 40.800 -0.013 0.000 0.948 365 D HN 0.463 nan 8.370 nan 0.000 0.460 366 L N 0.468 121.679 121.223 -0.019 0.000 2.046 366 L HA 0.013 4.352 4.340 -0.001 0.000 0.208 366 L C 2.153 179.023 176.870 0.001 0.000 1.077 366 L CA 2.012 56.850 54.840 -0.003 0.000 0.747 366 L CB -0.864 41.185 42.059 -0.017 0.000 0.896 366 L HN 0.077 nan 8.230 nan 0.000 0.432 367 G N -0.491 108.282 108.800 -0.046 0.000 2.418 367 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 367 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 367 G C 1.573 176.463 174.900 -0.016 0.000 1.158 367 G CA 1.022 46.082 45.100 -0.066 0.000 0.771 367 G HN 0.432 nan 8.290 nan 0.000 0.545 368 L N 0.470 121.677 121.223 -0.027 0.000 2.083 368 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 368 L C 2.426 179.338 176.870 0.070 0.000 1.083 368 L CA 1.102 55.942 54.840 0.001 0.000 0.752 368 L CB -0.385 41.663 42.059 -0.018 0.000 0.899 368 L HN 0.094 nan 8.230 nan 0.000 0.433 369 D N 0.291 120.738 120.400 0.078 0.000 2.144 369 D HA -0.119 4.521 4.640 -0.001 0.000 0.200 369 D C 2.260 178.656 176.300 0.160 0.000 0.978 369 D CA 1.445 55.517 54.000 0.119 0.000 0.833 369 D CB 0.023 40.876 40.800 0.088 0.000 0.961 369 D HN 0.289 nan 8.370 nan 0.000 0.470 370 A N 0.546 123.473 122.820 0.178 0.000 1.933 370 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 370 A C 2.508 180.247 177.584 0.258 0.000 1.175 370 A CA 1.098 53.307 52.037 0.288 0.000 0.628 370 A CB -0.646 18.616 19.000 0.436 0.000 0.814 370 A HN 0.138 nan 8.150 nan 0.000 0.444 371 V N -0.421 119.640 119.914 0.244 0.000 2.270 371 V HA -0.214 3.905 4.120 -0.001 0.000 0.245 371 V C 2.745 178.954 176.094 0.191 0.000 1.043 371 V CA 2.452 64.844 62.300 0.153 0.000 1.014 371 V CB -1.310 30.598 31.823 0.141 0.000 0.645 371 V HN 0.588 nan 8.190 nan 0.000 0.447 372 T N 0.725 115.416 114.554 0.229 0.000 2.665 372 T HA -0.272 4.077 4.350 -0.001 0.000 0.268 372 T C 1.917 176.806 174.700 0.314 0.000 1.035 372 T CA 2.261 64.573 62.100 0.354 0.000 1.151 372 T CB -0.430 68.651 68.868 0.355 0.000 0.862 372 T HN 0.408 nan 8.240 nan 0.000 0.438 373 L N 0.780 122.178 121.223 0.292 0.000 2.046 373 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 373 L C 2.611 179.541 176.870 0.100 0.000 1.077 373 L CA 1.756 56.795 54.840 0.332 0.000 0.747 373 L CB -0.412 41.791 42.059 0.239 0.000 0.896 373 L HN 0.145 nan 8.230 nan 0.000 0.432 374 Q N -1.043 118.699 119.800 -0.096 0.000 2.226 374 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 374 Q C 1.064 176.782 176.000 -0.470 0.000 0.975 374 Q CA 1.896 57.453 55.803 -0.410 0.000 0.866 374 Q CB -0.147 28.023 28.738 -0.948 0.000 0.915 374 Q HN 0.742 nan 8.270 nan 0.000 0.440 375 Y N -1.446 118.795 120.300 -0.099 0.000 2.531 375 Y HA 0.321 4.871 4.550 -0.001 0.000 0.249 375 Y C -0.166 175.643 175.900 -0.151 0.000 1.168 375 Y CA -0.208 57.879 58.100 -0.022 0.000 1.226 375 Y CB 1.063 39.627 38.460 0.173 0.000 1.177 375 Y HN -0.179 nan 8.280 nan 0.000 0.527 376 T N 0.751 115.155 114.554 -0.251 0.000 2.794 376 T HA 0.104 4.454 4.350 -0.001 0.000 0.280 376 T C -0.860 173.418 174.700 -0.704 0.000 0.987 376 T CA -0.658 61.029 62.100 -0.689 0.000 0.993 376 T CB 1.108 69.191 68.868 -1.309 0.000 0.939 376 T HN -0.014 nan 8.240 nan 0.000 0.449 377 D N 1.915 121.977 120.400 -0.562 0.000 2.411 377 D HA 0.111 4.751 4.640 -0.001 0.000 0.225 377 D C -0.006 176.048 176.300 -0.409 0.000 1.156 377 D CA -0.789 52.998 54.000 -0.356 0.000 0.874 377 D CB 0.414 41.085 40.800 -0.214 0.000 1.034 377 D HN 0.605 nan 8.370 nan 0.000 0.502 378 W N 2.938 124.195 121.300 -0.073 0.000 2.961 378 W HA 0.032 4.691 4.660 -0.001 0.000 0.240 378 W C 1.761 178.248 176.519 -0.054 0.000 1.305 378 W CA -0.321 56.985 57.345 -0.065 0.000 1.465 378 W CB -0.058 29.369 29.460 -0.055 0.000 1.135 378 W HN 0.402 nan 8.180 nan 0.000 0.688 379 M N 0.405 120.052 119.600 0.078 0.000 2.431 379 M HA 0.084 4.564 4.480 -0.001 0.000 0.237 379 M C -0.348 175.954 176.300 0.003 0.000 1.130 379 M CA 0.942 56.272 55.300 0.049 0.000 1.002 379 M CB 0.279 32.895 32.600 0.028 0.000 1.524 379 M HN -0.225 nan 8.290 nan 0.000 0.482 380 D N -0.587 119.790 120.400 -0.038 0.000 3.888 380 D HA -0.005 4.635 4.640 -0.001 0.000 0.271 380 D C 0.056 176.277 176.300 -0.132 0.000 1.399 380 D CA 0.261 54.221 54.000 -0.067 0.000 0.775 380 D CB 0.067 40.826 40.800 -0.067 0.000 1.356 380 D HN 0.384 nan 8.370 nan 0.000 0.753 381 D N -0.786 119.537 120.400 -0.128 0.000 2.310 381 D HA -0.124 4.516 4.640 -0.001 0.000 0.212 381 D C 0.591 176.777 176.300 -0.191 0.000 0.965 381 D CA 0.352 54.213 54.000 -0.231 0.000 0.879 381 D CB 0.146 40.858 40.800 -0.146 0.000 0.921 381 D HN 0.170 nan 8.370 nan 0.000 0.510 382 N N 0.524 119.157 118.700 -0.110 0.000 2.251 382 N HA -0.018 4.722 4.740 -0.001 0.000 0.217 382 N C -0.271 175.181 175.510 -0.097 0.000 1.124 382 N CA -0.165 52.830 53.050 -0.093 0.000 0.843 382 N CB -0.034 38.423 38.487 -0.050 0.000 1.024 382 N HN 0.382 nan 8.380 nan 0.000 0.501 383 N N 0.239 118.870 118.700 -0.115 0.000 2.416 383 N HA 0.059 4.798 4.740 -0.001 0.000 0.265 383 N C 1.486 176.931 175.510 -0.108 0.000 1.195 383 N CA -0.271 52.721 53.050 -0.096 0.000 0.943 383 N CB 0.669 39.101 38.487 -0.092 0.000 1.115 383 N HN 0.054 nan 8.380 nan 0.000 0.481 384 G N 4.241 112.986 108.800 -0.093 0.000 2.442 384 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 384 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 384 G C 1.324 176.164 174.900 -0.100 0.000 1.141 384 G CA 0.514 45.550 45.100 -0.107 0.000 0.763 384 G HN 0.617 nan 8.290 nan 0.000 0.554 385 I N 0.717 121.246 120.570 -0.068 0.000 2.315 385 I HA -0.050 4.120 4.170 -0.001 0.000 0.248 385 I C 2.542 178.653 176.117 -0.010 0.000 1.117 385 I CA 1.131 62.411 61.300 -0.032 0.000 1.404 385 I CB -0.842 37.155 38.000 -0.006 0.000 1.071 385 I HN 0.205 nan 8.210 nan 0.000 0.419 386 K N 0.520 120.896 120.400 -0.039 0.000 2.103 386 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 386 K C 1.856 178.426 176.600 -0.051 0.000 1.052 386 K CA 0.884 57.145 56.287 -0.043 0.000 0.945 386 K CB -0.013 32.429 32.500 -0.097 0.000 0.722 386 K HN 0.277 nan 8.250 nan 0.000 0.443 387 N N 0.933 119.572 118.700 -0.102 0.000 2.142 387 N HA -0.167 4.573 4.740 -0.001 0.000 0.186 387 N C 1.709 177.331 175.510 0.187 0.000 1.023 387 N CA 0.982 53.988 53.050 -0.074 0.000 0.852 387 N CB -0.189 38.227 38.487 -0.118 0.000 0.998 387 N HN 0.190 nan 8.380 nan 0.000 0.424 388 R N 1.093 121.634 120.500 0.068 0.000 2.073 388 R HA -0.112 4.228 4.340 -0.001 0.000 0.234 388 R C 0.793 177.250 176.300 0.262 0.000 1.134 388 R CA 1.584 57.748 56.100 0.106 0.000 0.952 388 R CB -0.084 30.157 30.300 -0.098 0.000 0.850 388 R HN 0.085 nan 8.270 nan 0.000 0.433 389 D N -0.536 119.983 120.400 0.200 0.000 2.178 389 D HA -0.078 4.562 4.640 -0.001 0.000 0.202 389 D C 1.721 178.169 176.300 0.246 0.000 0.974 389 D CA 1.433 55.568 54.000 0.225 0.000 0.841 389 D CB -0.477 40.427 40.800 0.173 0.000 0.953 389 D HN 0.519 nan 8.370 nan 0.000 0.478 390 G N 0.764 109.724 108.800 0.267 0.000 2.418 390 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.217 390 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.217 390 G C 1.547 176.626 174.900 0.299 0.000 1.158 390 G CA 0.269 45.587 45.100 0.364 0.000 0.771 390 G HN 0.190 nan 8.290 nan 0.000 0.545 391 L N 1.092 122.511 121.223 0.327 0.000 2.046 391 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 391 L C 2.271 179.170 176.870 0.048 0.000 1.077 391 L CA 2.054 56.951 54.840 0.094 0.000 0.747 391 L CB -0.710 41.477 42.059 0.214 0.000 0.896 391 L HN 0.183 nan 8.230 nan 0.000 0.432 392 D N -0.463 120.033 120.400 0.160 0.000 2.092 392 D HA -0.225 4.415 4.640 -0.001 0.000 0.193 392 D C 1.692 178.040 176.300 0.080 0.000 0.994 392 D CA 1.549 55.632 54.000 0.139 0.000 0.828 392 D CB 0.000 40.953 40.800 0.255 0.000 0.963 392 D HN 0.353 nan 8.370 nan 0.000 0.450 393 D N -0.106 120.366 120.400 0.119 0.000 2.144 393 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 393 D C 2.346 178.620 176.300 -0.044 0.000 0.984 393 D CA 0.416 54.493 54.000 0.128 0.000 0.834 393 D CB -0.253 40.731 40.800 0.307 0.000 0.955 393 D HN 0.374 nan 8.370 nan 0.000 0.465 394 I N 0.470 120.867 120.570 -0.289 0.000 2.163 394 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 394 I C 2.443 178.388 176.117 -0.287 0.000 1.085 394 I CA 0.702 61.746 61.300 -0.426 0.000 1.347 394 I CB -0.136 37.598 38.000 -0.444 0.000 1.044 394 I HN -0.108 nan 8.210 nan 0.000 0.408 395 V N 0.835 120.629 119.914 -0.201 0.000 2.295 395 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 395 V C 2.555 178.494 176.094 -0.259 0.000 1.049 395 V CA 2.243 64.424 62.300 -0.200 0.000 1.024 395 V CB -1.492 30.265 31.823 -0.111 0.000 0.648 395 V HN 0.584 nan 8.190 nan 0.000 0.447 396 G N -0.405 108.304 108.800 -0.152 0.000 2.418 396 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.217 396 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.217 396 G C 1.240 176.034 174.900 -0.177 0.000 1.158 396 G CA 1.003 46.029 45.100 -0.123 0.000 0.771 396 G HN 0.503 nan 8.290 nan 0.000 0.545 397 D N -0.216 120.082 120.400 -0.170 0.000 2.097 397 D HA -0.084 4.556 4.640 -0.001 0.000 0.197 397 D C 2.089 178.055 176.300 -0.557 0.000 0.984 397 D CA 1.293 55.169 54.000 -0.206 0.000 0.826 397 D CB -0.457 40.355 40.800 0.020 0.000 0.973 397 D HN 0.434 nan 8.370 nan 0.000 0.460 398 H N 0.794 119.226 119.070 -1.063 0.000 2.389 398 H HA 0.042 4.598 4.556 -0.001 0.000 0.299 398 H C 1.492 176.420 175.328 -0.667 0.000 1.081 398 H CA 1.595 56.899 56.048 -1.241 0.000 1.345 398 H CB 0.083 28.905 29.762 -1.567 0.000 1.393 398 H HN -0.016 nan 8.280 nan 0.000 0.520 399 N N -0.773 117.440 118.700 -0.812 0.000 2.409 399 N HA 0.000 4.740 4.740 -0.001 0.000 0.174 399 N C 1.088 176.295 175.510 -0.505 0.000 1.037 399 N CA 1.050 53.566 53.050 -0.890 0.000 0.898 399 N CB 1.088 38.623 38.487 -1.586 0.000 1.010 399 N HN 0.277 nan 8.380 nan 0.000 0.445 400 V N 0.362 120.065 119.914 -0.352 0.000 3.279 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.213 400 V C 2.054 178.104 176.094 -0.074 0.000 1.335 400 V CA -0.076 62.155 62.300 -0.115 0.000 1.317 400 V CB 0.267 32.086 31.823 -0.007 0.000 1.209 400 V HN -0.052 nan 8.190 nan 0.000 0.525 401 I N 0.608 121.142 120.570 -0.060 0.000 2.113 401 I HA -0.291 3.879 4.170 -0.001 0.000 0.238 401 I C 2.580 178.691 176.117 -0.010 0.000 1.070 401 I CA 2.003 63.300 61.300 -0.005 0.000 1.332 401 I CB -0.514 37.516 38.000 0.050 0.000 1.044 401 I HN 0.389 nan 8.210 nan 0.000 0.402 402 c N 0.794 119.378 118.600 -0.027 0.000 2.425 402 c HA -0.052 4.518 4.570 -0.001 0.000 0.277 402 c C 0.286 174.395 174.090 0.032 0.000 1.280 402 c CA 0.728 57.084 56.329 0.046 0.000 1.744 402 c CB -1.876 40.703 42.510 0.114 0.000 1.989 402 c HN 0.368 nan 8.230 nan 0.000 0.491 403 P HA -0.098 nan 4.420 nan 0.000 0.216 403 P C 1.776 179.093 177.300 0.029 0.000 1.153 403 P CA 1.092 64.157 63.100 -0.058 0.000 0.848 403 P CB -0.188 31.386 31.700 -0.210 0.000 0.787 404 L N -1.758 119.461 121.223 -0.007 0.000 2.046 404 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 404 L C 2.118 179.023 176.870 0.059 0.000 1.077 404 L CA 1.707 56.560 54.840 0.021 0.000 0.747 404 L CB -0.543 41.503 42.059 -0.023 0.000 0.896 404 L HN -0.100 nan 8.230 nan 0.000 0.432 405 M N -1.165 118.461 119.600 0.043 0.000 2.159 405 M HA -0.218 4.261 4.480 -0.001 0.000 0.263 405 M C 2.265 178.622 176.300 0.096 0.000 1.063 405 M CA 1.644 56.967 55.300 0.039 0.000 1.110 405 M CB -1.574 31.064 32.600 0.063 0.000 1.374 405 M HN 0.426 nan 8.290 nan 0.000 0.411 406 H N -0.124 118.978 119.070 0.053 0.000 2.326 406 H HA -0.163 4.392 4.556 -0.001 0.000 0.301 406 H C 1.842 177.214 175.328 0.073 0.000 1.081 406 H CA 1.962 58.050 56.048 0.066 0.000 1.334 406 H CB -0.367 29.431 29.762 0.060 0.000 1.385 406 H HN 0.238 nan 8.280 nan 0.000 0.504 407 F N 0.022 119.927 119.950 -0.074 0.000 2.134 407 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 407 F C 2.429 178.142 175.800 -0.145 0.000 1.097 407 F CA 1.490 59.401 58.000 -0.147 0.000 1.264 407 F CB -0.839 38.083 39.000 -0.131 0.000 1.001 407 F HN 0.140 nan 8.300 nan 0.000 0.479 408 V N 0.947 120.765 119.914 -0.161 0.000 2.427 408 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 408 V C 2.147 178.090 176.094 -0.252 0.000 1.051 408 V CA 2.346 64.436 62.300 -0.349 0.000 1.048 408 V CB -0.620 30.921 31.823 -0.471 0.000 0.666 408 V HN 0.426 nan 8.190 nan 0.000 0.456 409 N N -0.130 118.503 118.700 -0.111 0.000 2.270 409 N HA -0.086 4.653 4.740 -0.001 0.000 0.181 409 N C 1.778 177.264 175.510 -0.041 0.000 1.016 409 N CA 0.960 54.043 53.050 0.056 0.000 0.870 409 N CB -0.127 38.424 38.487 0.106 0.000 0.979 409 N HN 0.429 nan 8.380 nan 0.000 0.431 410 K N 0.316 120.604 120.400 -0.187 0.000 2.103 410 K HA -0.094 4.225 4.320 -0.001 0.000 0.204 410 K C 1.877 178.441 176.600 -0.061 0.000 1.052 410 K CA 0.537 56.743 56.287 -0.135 0.000 0.945 410 K CB -0.570 31.786 32.500 -0.239 0.000 0.722 410 K HN 0.278 nan 8.250 nan 0.000 0.443 411 Y N 2.313 122.349 120.300 -0.440 0.000 2.163 411 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 411 Y C 2.249 178.131 175.900 -0.030 0.000 1.136 411 Y CA 1.872 59.703 58.100 -0.448 0.000 1.147 411 Y CB -0.348 37.520 38.460 -0.987 0.000 0.987 411 Y HN 0.002 nan 8.280 nan 0.000 0.509 412 T N -0.507 114.095 114.554 0.080 0.000 2.849 412 T HA -0.259 4.091 4.350 -0.001 0.000 0.270 412 T C 2.007 176.716 174.700 0.015 0.000 1.066 412 T CA 1.663 63.845 62.100 0.138 0.000 1.130 412 T CB -0.363 68.697 68.868 0.319 0.000 0.864 412 T HN 0.213 nan 8.240 nan 0.000 0.481 413 K N 0.397 120.768 120.400 -0.049 0.000 2.147 413 K HA -0.028 4.291 4.320 -0.001 0.000 0.205 413 K C 1.500 177.843 176.600 -0.428 0.000 1.049 413 K CA 1.081 57.215 56.287 -0.255 0.000 0.936 413 K CB -0.660 31.630 32.500 -0.350 0.000 0.722 413 K HN 0.640 nan 8.250 nan 0.000 0.446 414 F N -0.555 119.334 119.950 -0.101 0.000 2.724 414 F HA 0.419 4.945 4.527 -0.001 0.000 0.306 414 F C 1.564 177.244 175.800 -0.200 0.000 1.100 414 F CA -0.148 57.753 58.000 -0.166 0.000 1.255 414 F CB 0.072 38.907 39.000 -0.274 0.000 1.072 414 F HN 0.265 nan 8.300 nan 0.000 0.589 415 G N -0.107 108.629 108.800 -0.108 0.000 2.653 415 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.265 415 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.265 415 G C 0.361 175.316 174.900 0.092 0.000 1.237 415 G CA -0.361 44.694 45.100 -0.075 0.000 0.946 415 G HN 0.268 nan 8.290 nan 0.000 0.522 416 N N -0.489 118.319 118.700 0.181 0.000 2.234 416 N HA 0.279 5.019 4.740 -0.001 0.000 0.227 416 N C 0.265 175.861 175.510 0.143 0.000 1.151 416 N CA 0.443 53.570 53.050 0.129 0.000 0.865 416 N CB 0.354 38.907 38.487 0.109 0.000 1.066 416 N HN 0.857 nan 8.380 nan 0.000 0.515 417 G N 0.474 109.379 108.800 0.175 0.000 2.196 417 G HA2 0.024 3.983 3.960 -0.001 0.000 0.215 417 G HA3 0.024 3.983 3.960 -0.001 0.000 0.215 417 G C -1.310 173.652 174.900 0.103 0.000 1.640 417 G CA -0.736 44.430 45.100 0.110 0.000 0.946 417 G HN 0.019 nan 8.290 nan 0.000 0.710 418 T N 1.579 116.071 114.554 -0.103 0.000 2.861 418 T HA 0.680 5.029 4.350 -0.001 0.000 0.287 418 T C -1.254 173.168 174.700 -0.464 0.000 1.003 418 T CA -0.377 61.654 62.100 -0.115 0.000 0.977 418 T CB 1.366 70.262 68.868 0.048 0.000 0.996 418 T HN 0.431 nan 8.240 nan 0.000 0.448 419 Y N 1.979 122.185 120.300 -0.157 0.000 2.338 419 Y HA 0.652 5.202 4.550 -0.001 0.000 0.333 419 Y C -0.480 175.430 175.900 0.018 0.000 0.968 419 Y CA -1.141 56.784 58.100 -0.292 0.000 1.123 419 Y CB 1.487 39.287 38.460 -1.100 0.000 1.165 419 Y HN 0.447 nan 8.280 nan 0.000 0.452 420 L N 5.850 127.408 121.223 0.558 0.000 2.329 420 L HA 0.644 4.983 4.340 -0.001 0.000 0.279 420 L C -1.247 176.090 176.870 0.777 0.000 1.014 420 L CA -0.955 54.172 54.840 0.478 0.000 0.814 420 L CB 0.813 43.012 42.059 0.233 0.000 1.257 420 L HN 0.538 nan 8.230 nan 0.000 0.424 421 Y N 3.147 123.765 120.300 0.529 0.000 2.576 421 Y HA 0.717 5.267 4.550 -0.001 0.000 0.346 421 Y C -1.871 174.301 175.900 0.453 0.000 1.018 421 Y CA -2.157 56.206 58.100 0.438 0.000 1.050 421 Y CB 1.281 39.948 38.460 0.344 0.000 1.280 421 Y HN 0.526 nan 8.280 nan 0.000 0.474 422 F N 4.399 124.688 119.950 0.565 0.000 2.500 422 F HA 0.486 5.013 4.527 -0.001 0.000 0.349 422 F C -1.937 174.188 175.800 0.542 0.000 1.127 422 F CA -1.841 56.423 58.000 0.439 0.000 0.998 422 F CB 0.744 39.968 39.000 0.373 0.000 1.237 422 F HN 0.565 nan 8.300 nan 0.000 0.439 423 F N 8.129 128.166 119.950 0.146 0.000 2.413 423 F HA 0.308 4.835 4.527 -0.001 0.000 0.359 423 F C 0.200 175.858 175.800 -0.236 0.000 1.122 423 F CA -0.293 57.725 58.000 0.030 0.000 1.160 423 F CB 0.520 39.611 39.000 0.152 0.000 1.146 423 F HN 0.541 nan 8.300 nan 0.000 0.514 424 N N 3.420 121.787 118.700 -0.555 0.000 2.517 424 N HA 0.075 4.815 4.740 -0.001 0.000 0.285 424 N C -1.182 174.089 175.510 -0.399 0.000 1.528 424 N CA -0.485 52.321 53.050 -0.408 0.000 0.892 424 N CB -0.660 37.722 38.487 -0.174 0.000 1.356 424 N HN 0.607 nan 8.380 nan 0.000 0.495 425 H N 0.735 119.258 119.070 -0.912 0.000 2.552 425 H HA 0.492 5.047 4.556 -0.001 0.000 0.311 425 H C -0.343 174.829 175.328 -0.260 0.000 1.071 425 H CA -0.615 55.084 56.048 -0.583 0.000 1.307 425 H CB 0.959 30.282 29.762 -0.732 0.000 1.416 425 H HN 0.142 nan 8.280 nan 0.000 0.464 426 R N 4.210 124.301 120.500 -0.682 0.000 2.202 426 R HA 0.505 4.845 4.340 -0.001 0.000 0.334 426 R C -0.790 175.217 176.300 -0.488 0.000 1.036 426 R CA -0.321 55.561 56.100 -0.363 0.000 0.878 426 R CB 0.150 30.331 30.300 -0.198 0.000 1.067 426 R HN 0.724 nan 8.270 nan 0.000 0.457 427 A N 3.532 126.346 122.820 -0.011 0.000 2.511 427 A HA 0.111 4.431 4.320 -0.001 0.000 0.242 427 A C 1.268 178.935 177.584 0.138 0.000 1.069 427 A CA 0.398 52.608 52.037 0.289 0.000 0.763 427 A CB 0.117 19.470 19.000 0.587 0.000 1.001 427 A HN 1.080 nan 8.150 nan 0.000 0.498 428 S N 1.899 117.713 115.700 0.190 0.000 2.400 428 S HA -0.211 4.259 4.470 -0.001 0.000 0.232 428 S C 1.004 175.604 174.600 -0.001 0.000 1.025 428 S CA 1.409 59.661 58.200 0.085 0.000 0.993 428 S CB -0.519 62.751 63.200 0.116 0.000 0.808 428 S HN 0.947 nan 8.310 nan 0.000 0.478 429 N N 1.024 119.681 118.700 -0.072 0.000 2.276 429 N HA 0.197 4.936 4.740 -0.001 0.000 0.212 429 N C -0.005 175.442 175.510 -0.105 0.000 1.127 429 N CA -0.283 52.674 53.050 -0.154 0.000 0.834 429 N CB -0.541 37.733 38.487 -0.355 0.000 1.014 429 N HN 0.392 nan 8.380 nan 0.000 0.491 430 L N 1.599 122.809 121.223 -0.021 0.000 2.499 430 L HA -0.004 4.336 4.340 -0.001 0.000 0.273 430 L C 1.412 178.255 176.870 -0.045 0.000 1.195 430 L CA 0.011 54.855 54.840 0.007 0.000 0.882 430 L CB 1.071 43.148 42.059 0.031 0.000 1.133 430 L HN 0.160 nan 8.230 nan 0.000 0.483 431 V N 0.512 120.355 119.914 -0.119 0.000 3.506 431 V HA 0.034 4.153 4.120 -0.001 0.000 0.263 431 V C 0.518 176.569 176.094 -0.072 0.000 1.203 431 V CA -0.421 61.773 62.300 -0.177 0.000 1.133 431 V CB -0.742 30.818 31.823 -0.439 0.000 0.802 431 V HN 0.606 nan 8.190 nan 0.000 0.459 432 W N 2.043 123.342 121.300 -0.002 0.000 2.237 432 W HA 0.530 5.190 4.660 -0.001 0.000 0.335 432 W C -1.677 174.754 176.519 -0.146 0.000 1.230 432 W CA -2.195 55.117 57.345 -0.055 0.000 1.253 432 W CB 0.010 29.353 29.460 -0.195 0.000 1.129 432 W HN -0.006 nan 8.180 nan 0.000 0.590 433 P HA -0.064 nan 4.420 nan 0.000 0.269 433 P C 0.216 177.460 177.300 -0.094 0.000 1.217 433 P CA 0.303 63.390 63.100 -0.022 0.000 0.783 433 P CB 1.125 32.828 31.700 0.005 0.000 0.898 434 E N 1.242 121.453 120.200 0.019 0.000 2.085 434 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 434 E C 1.773 178.426 176.600 0.089 0.000 0.994 434 E CA 1.689 58.119 56.400 0.049 0.000 0.801 434 E CB -0.725 29.034 29.700 0.097 0.000 0.743 434 E HN 0.642 nan 8.360 nan 0.000 0.453 435 W N -0.414 120.940 121.300 0.089 0.000 2.387 435 W HA -0.166 4.494 4.660 -0.001 0.000 0.272 435 W C 1.185 177.773 176.519 0.116 0.000 1.224 435 W CA 0.566 57.973 57.345 0.104 0.000 1.210 435 W CB -0.737 28.795 29.460 0.120 0.000 1.125 435 W HN 0.076 nan 8.180 nan 0.000 0.572 436 M N 1.301 120.620 119.600 -0.469 0.000 2.562 436 M HA 0.122 4.602 4.480 -0.001 0.000 0.257 436 M C 1.805 178.016 176.300 -0.149 0.000 1.099 436 M CA 1.476 56.463 55.300 -0.521 0.000 1.099 436 M CB -0.595 31.516 32.600 -0.815 0.000 1.427 436 M HN 0.174 nan 8.290 nan 0.000 0.489 437 G N 0.492 109.261 108.800 -0.050 0.000 2.611 437 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.301 437 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.301 437 G C -0.161 174.736 174.900 -0.005 0.000 1.233 437 G CA -0.147 44.958 45.100 0.008 0.000 0.993 437 G HN 0.218 nan 8.290 nan 0.000 0.553 438 V N 1.915 121.857 119.914 0.047 0.000 2.284 438 V HA 0.415 4.535 4.120 -0.001 0.000 0.260 438 V C 1.032 177.228 176.094 0.169 0.000 1.084 438 V CA -0.168 62.203 62.300 0.118 0.000 0.894 438 V CB 0.208 32.093 31.823 0.103 0.000 1.119 438 V HN 0.538 nan 8.190 nan 0.000 0.484 439 I N 2.921 123.571 120.570 0.133 0.000 2.754 439 I HA 0.111 4.281 4.170 -0.001 0.000 0.285 439 I C 0.885 177.245 176.117 0.406 0.000 1.166 439 I CA -0.377 61.020 61.300 0.162 0.000 1.417 439 I CB 0.197 38.120 38.000 -0.129 0.000 1.382 439 I HN 0.559 nan 8.210 nan 0.000 0.588 440 H N 3.999 123.240 119.070 0.286 0.000 3.107 440 H HA 0.218 4.773 4.556 -0.001 0.000 0.301 440 H C 0.910 176.422 175.328 0.307 0.000 0.981 440 H CA 0.973 57.203 56.048 0.304 0.000 1.443 440 H CB 0.191 30.137 29.762 0.308 0.000 1.479 440 H HN 0.741 nan 8.280 nan 0.000 0.564 441 G N 3.622 112.440 108.800 0.030 0.000 2.213 441 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.236 441 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.236 441 G C 0.646 175.621 174.900 0.124 0.000 0.991 441 G CA 0.310 45.394 45.100 -0.025 0.000 0.629 441 G HN 0.613 nan 8.290 nan 0.000 0.517 442 Y N 1.729 122.175 120.300 0.243 0.000 2.471 442 Y HA 0.202 4.751 4.550 -0.001 0.000 0.286 442 Y C 2.405 178.427 175.900 0.202 0.000 1.188 442 Y CA 1.139 59.425 58.100 0.309 0.000 1.286 442 Y CB 0.380 39.058 38.460 0.364 0.000 1.072 442 Y HN 0.520 nan 8.280 nan 0.000 0.517 443 E N 0.079 120.246 120.200 -0.055 0.000 2.400 443 E HA -0.063 4.287 4.350 -0.001 0.000 0.195 443 E C 1.685 178.224 176.600 -0.101 0.000 1.012 443 E CA 0.625 56.678 56.400 -0.579 0.000 0.875 443 E CB -0.517 28.563 29.700 -1.032 0.000 0.859 443 E HN 0.513 nan 8.360 nan 0.000 0.498 444 I N 2.714 123.323 120.570 0.066 0.000 2.151 444 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 444 I C 2.683 178.859 176.117 0.099 0.000 1.080 444 I CA 2.203 63.597 61.300 0.158 0.000 1.339 444 I CB -0.533 37.615 38.000 0.247 0.000 1.039 444 I HN 0.232 nan 8.210 nan 0.000 0.409 445 E N 0.938 121.132 120.200 -0.010 0.000 2.209 445 E HA -0.240 4.109 4.350 -0.001 0.000 0.196 445 E C 2.024 178.445 176.600 -0.298 0.000 0.993 445 E CA 1.517 57.823 56.400 -0.156 0.000 0.819 445 E CB -0.518 29.073 29.700 -0.180 0.000 0.745 445 E HN 0.448 nan 8.360 nan 0.000 0.477 446 F N 0.980 120.836 119.950 -0.157 0.000 2.293 446 F HA -0.014 4.513 4.527 -0.001 0.000 0.297 446 F C 2.324 177.950 175.800 -0.289 0.000 1.089 446 F CA 0.519 58.388 58.000 -0.219 0.000 1.377 446 F CB -0.003 38.915 39.000 -0.137 0.000 1.051 446 F HN -0.123 nan 8.300 nan 0.000 0.511 447 V N -1.094 118.734 119.914 -0.142 0.000 2.453 447 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 447 V C 1.616 177.497 176.094 -0.355 0.000 1.048 447 V CA 1.543 63.619 62.300 -0.374 0.000 1.049 447 V CB -0.590 31.047 31.823 -0.310 0.000 0.672 447 V HN 0.196 nan 8.190 nan 0.000 0.457 448 F N 0.493 120.306 119.950 -0.228 0.000 2.797 448 F HA 0.388 4.915 4.527 -0.001 0.000 0.302 448 F C 1.823 177.523 175.800 -0.167 0.000 1.130 448 F CA 0.638 58.528 58.000 -0.183 0.000 1.387 448 F CB -0.269 38.605 39.000 -0.210 0.000 1.107 448 F HN 0.258 nan 8.300 nan 0.000 0.577 449 G N 0.205 108.906 108.800 -0.166 0.000 2.153 449 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.252 449 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.252 449 G C 1.200 175.783 174.900 -0.528 0.000 0.994 449 G CA 0.393 45.323 45.100 -0.283 0.000 0.698 449 G HN 0.327 nan 8.290 nan 0.000 0.521 450 L N -0.408 120.482 121.223 -0.555 0.000 2.127 450 L HA -0.084 4.255 4.340 -0.001 0.000 0.211 450 L C 0.110 176.568 176.870 -0.687 0.000 1.089 450 L CA 2.345 56.811 54.840 -0.622 0.000 0.757 450 L CB -1.641 40.177 42.059 -0.401 0.000 0.899 450 L HN 0.224 nan 8.230 nan 0.000 0.434 451 P HA -0.088 nan 4.420 nan 0.000 0.230 451 P C 1.810 178.869 177.300 -0.403 0.000 1.158 451 P CA 0.806 63.329 63.100 -0.962 0.000 0.769 451 P CB 0.092 31.073 31.700 -1.199 0.000 0.807 452 L N -1.382 119.605 121.223 -0.393 0.000 2.478 452 L HA 0.034 4.374 4.340 -0.001 0.000 0.223 452 L C 1.083 177.830 176.870 -0.206 0.000 1.140 452 L CA 0.412 55.106 54.840 -0.243 0.000 0.842 452 L CB -0.511 41.430 42.059 -0.198 0.000 0.953 452 L HN -0.070 nan 8.230 nan 0.000 0.452 453 V N -0.842 118.910 119.914 -0.271 0.000 2.334 453 V HA 0.356 4.476 4.120 -0.001 0.000 0.267 453 V C 1.294 177.346 176.094 -0.070 0.000 1.040 453 V CA 0.118 62.319 62.300 -0.165 0.000 0.866 453 V CB 1.050 32.754 31.823 -0.199 0.000 1.019 453 V HN 0.281 nan 8.190 nan 0.000 0.468 454 K N 4.483 124.857 120.400 -0.044 0.000 2.097 454 K HA -0.266 4.054 4.320 -0.001 0.000 0.214 454 K C 1.510 178.097 176.600 -0.022 0.000 1.052 454 K CA 2.715 58.990 56.287 -0.020 0.000 0.932 454 K CB -1.276 31.212 32.500 -0.021 0.000 0.716 454 K HN 0.909 nan 8.250 nan 0.000 0.455 455 E N 0.436 120.617 120.200 -0.032 0.000 2.267 455 E HA -0.057 4.293 4.350 -0.001 0.000 0.197 455 E C 1.793 178.360 176.600 -0.056 0.000 0.998 455 E CA 1.048 57.423 56.400 -0.041 0.000 0.830 455 E CB -0.265 29.410 29.700 -0.041 0.000 0.751 455 E HN 0.631 nan 8.360 nan 0.000 0.491 456 L N 0.079 121.278 121.223 -0.041 0.000 2.610 456 L HA 0.072 4.412 4.340 -0.001 0.000 0.232 456 L C -0.240 176.529 176.870 -0.167 0.000 1.149 456 L CA 0.137 54.935 54.840 -0.070 0.000 0.872 456 L CB -0.738 41.348 42.059 0.045 0.000 0.992 456 L HN 0.215 nan 8.230 nan 0.000 0.447 457 N N -1.531 117.115 118.700 -0.089 0.000 2.756 457 N HA -0.222 4.517 4.740 -0.001 0.000 0.248 457 N C -0.691 174.724 175.510 -0.158 0.000 1.062 457 N CA 0.077 53.057 53.050 -0.116 0.000 0.696 457 N CB -1.235 37.160 38.487 -0.154 0.000 0.946 457 N HN 0.271 nan 8.380 nan 0.000 0.548 458 Y N 0.358 120.629 120.300 -0.049 0.000 2.458 458 Y HA 0.389 4.938 4.550 -0.001 0.000 0.322 458 Y C 1.631 177.536 175.900 0.008 0.000 1.259 458 Y CA -0.271 57.821 58.100 -0.012 0.000 1.302 458 Y CB 0.710 39.137 38.460 -0.055 0.000 1.314 458 Y HN 0.053 nan 8.280 nan 0.000 0.509 459 T N -1.983 112.707 114.554 0.227 0.000 2.849 459 T HA 0.439 4.788 4.350 -0.001 0.000 0.284 459 T C 1.130 175.894 174.700 0.107 0.000 1.004 459 T CA -0.258 61.922 62.100 0.134 0.000 1.021 459 T CB 1.257 70.204 68.868 0.131 0.000 1.013 459 T HN 0.759 nan 8.240 nan 0.000 0.527 460 A N 1.065 123.921 122.820 0.060 0.000 1.933 460 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 460 A C 2.290 179.890 177.584 0.025 0.000 1.175 460 A CA 1.324 53.380 52.037 0.032 0.000 0.628 460 A CB -0.727 18.285 19.000 0.019 0.000 0.814 460 A HN 0.937 nan 8.150 nan 0.000 0.444 461 E N 0.555 120.773 120.200 0.030 0.000 2.208 461 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 461 E C 1.419 178.020 176.600 0.001 0.000 0.988 461 E CA 1.199 57.599 56.400 0.001 0.000 0.828 461 E CB -0.549 29.144 29.700 -0.012 0.000 0.763 461 E HN 0.788 nan 8.360 nan 0.000 0.478 462 E N 1.053 121.301 120.200 0.080 0.000 2.152 462 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 462 E C 2.071 178.750 176.600 0.132 0.000 0.983 462 E CA 0.873 57.401 56.400 0.214 0.000 0.818 462 E CB 0.018 29.973 29.700 0.425 0.000 0.758 462 E HN 0.407 nan 8.360 nan 0.000 0.467 463 E N 0.828 121.038 120.200 0.017 0.000 2.072 463 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 463 E C 2.020 178.593 176.600 -0.044 0.000 0.985 463 E CA 0.934 57.294 56.400 -0.067 0.000 0.801 463 E CB -0.036 29.630 29.700 -0.057 0.000 0.750 463 E HN 0.193 nan 8.360 nan 0.000 0.452 464 A N 1.138 123.943 122.820 -0.024 0.000 1.933 464 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 464 A C 2.122 179.681 177.584 -0.042 0.000 1.175 464 A CA 1.212 53.225 52.037 -0.040 0.000 0.628 464 A CB -0.567 18.410 19.000 -0.037 0.000 0.814 464 A HN 0.400 nan 8.150 nan 0.000 0.444 465 L N -0.368 120.849 121.223 -0.011 0.000 2.056 465 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 465 L C 2.524 179.428 176.870 0.058 0.000 1.078 465 L CA 2.555 57.385 54.840 -0.016 0.000 0.749 465 L CB -0.894 41.111 42.059 -0.089 0.000 0.901 465 L HN 0.316 nan 8.230 nan 0.000 0.433 466 S N -0.602 115.198 115.700 0.166 0.000 2.359 466 S HA -0.221 4.249 4.470 -0.001 0.000 0.224 466 S C 2.200 176.759 174.600 -0.069 0.000 1.035 466 S CA 1.492 59.739 58.200 0.078 0.000 1.018 466 S CB -0.225 62.891 63.200 -0.141 0.000 0.876 466 S HN 0.544 nan 8.310 nan 0.000 0.448 467 R N 0.670 121.121 120.500 -0.082 0.000 2.081 467 R HA -0.038 4.302 4.340 -0.001 0.000 0.235 467 R C 2.647 178.874 176.300 -0.121 0.000 1.131 467 R CA 1.688 57.729 56.100 -0.098 0.000 0.960 467 R CB -0.293 29.950 30.300 -0.096 0.000 0.856 467 R HN 0.564 nan 8.270 nan 0.000 0.436 468 R N 0.323 120.721 120.500 -0.170 0.000 2.115 468 R HA -0.037 4.303 4.340 -0.001 0.000 0.230 468 R C 2.118 178.166 176.300 -0.420 0.000 1.111 468 R CA 1.190 57.083 56.100 -0.346 0.000 0.976 468 R CB -0.548 29.486 30.300 -0.444 0.000 0.870 468 R HN 0.210 nan 8.270 nan 0.000 0.445 469 I N 1.471 121.918 120.570 -0.205 0.000 2.202 469 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 469 I C 2.637 178.656 176.117 -0.163 0.000 1.091 469 I CA 1.456 62.667 61.300 -0.149 0.000 1.368 469 I CB -0.207 37.593 38.000 -0.333 0.000 1.058 469 I HN 0.128 nan 8.210 nan 0.000 0.410 470 M N -0.637 118.854 119.600 -0.182 0.000 2.149 470 M HA -0.263 4.216 4.480 -0.001 0.000 0.261 470 M C 2.383 178.719 176.300 0.060 0.000 1.064 470 M CA 1.758 56.987 55.300 -0.119 0.000 1.102 470 M CB -0.718 31.815 32.600 -0.111 0.000 1.369 470 M HN 0.291 nan 8.290 nan 0.000 0.408 471 H N -0.503 118.546 119.070 -0.035 0.000 2.436 471 H HA -0.098 4.458 4.556 -0.001 0.000 0.294 471 H C 1.492 176.935 175.328 0.192 0.000 1.048 471 H CA 1.636 57.695 56.048 0.019 0.000 1.353 471 H CB 0.085 29.809 29.762 -0.064 0.000 1.414 471 H HN 0.256 nan 8.280 nan 0.000 0.536 472 Y N -0.960 119.464 120.300 0.206 0.000 2.163 472 Y HA -0.210 4.340 4.550 -0.001 0.000 0.288 472 Y C 2.469 178.586 175.900 0.360 0.000 1.136 472 Y CA 0.961 59.242 58.100 0.302 0.000 1.147 472 Y CB -1.023 37.816 38.460 0.630 0.000 0.987 472 Y HN 0.348 nan 8.280 nan 0.000 0.509 473 W N -0.495 120.916 121.300 0.186 0.000 2.355 473 W HA -0.196 4.464 4.660 -0.000 0.000 0.309 473 W C 2.541 179.066 176.519 0.011 0.000 1.206 473 W CA 1.023 58.408 57.345 0.067 0.000 1.284 473 W CB -0.354 29.087 29.460 -0.032 0.000 1.145 473 W HN 0.041 nan 8.180 nan 0.000 0.502 474 A N -0.136 122.797 122.820 0.189 0.000 1.930 474 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 474 A C 1.798 179.372 177.584 -0.017 0.000 1.175 474 A CA 2.066 54.129 52.037 0.043 0.000 0.627 474 A CB -1.113 17.899 19.000 0.020 0.000 0.815 474 A HN 0.181 nan 8.150 nan 0.000 0.443 475 T N -0.755 113.749 114.554 -0.084 0.000 2.821 475 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 475 T C 1.599 176.259 174.700 -0.067 0.000 1.046 475 T CA 1.473 63.488 62.100 -0.142 0.000 1.139 475 T CB -0.377 68.338 68.868 -0.255 0.000 0.871 475 T HN 0.516 nan 8.240 nan 0.000 0.454 476 F N 2.338 122.203 119.950 -0.142 0.000 2.134 476 F HA 0.034 4.561 4.527 -0.001 0.000 0.299 476 F C 2.413 178.138 175.800 -0.125 0.000 1.097 476 F CA 0.986 58.868 58.000 -0.196 0.000 1.264 476 F CB -0.573 38.253 39.000 -0.290 0.000 1.001 476 F HN 0.133 nan 8.300 nan 0.000 0.479 477 A N 0.237 123.003 122.820 -0.090 0.000 1.933 477 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 477 A C 2.293 179.758 177.584 -0.197 0.000 1.175 477 A CA 1.932 53.876 52.037 -0.155 0.000 0.628 477 A CB -0.817 18.161 19.000 -0.037 0.000 0.814 477 A HN 0.520 nan 8.150 nan 0.000 0.444 478 K N -0.875 119.436 120.400 -0.148 0.000 2.116 478 K HA -0.088 4.231 4.320 -0.001 0.000 0.203 478 K C 1.758 178.270 176.600 -0.147 0.000 1.052 478 K CA 1.786 58.003 56.287 -0.116 0.000 0.952 478 K CB -0.048 32.411 32.500 -0.069 0.000 0.729 478 K HN 0.593 nan 8.250 nan 0.000 0.446 479 T N -4.957 109.479 114.554 -0.198 0.000 2.975 479 T HA 0.261 4.611 4.350 -0.001 0.000 0.257 479 T C 1.122 175.675 174.700 -0.244 0.000 1.003 479 T CA 0.418 62.412 62.100 -0.176 0.000 0.932 479 T CB 0.923 69.724 68.868 -0.111 0.000 1.087 479 T HN 0.297 nan 8.240 nan 0.000 0.512 480 G N 1.484 109.992 108.800 -0.486 0.000 2.141 480 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.242 480 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.242 480 G C -0.194 174.586 174.900 -0.199 0.000 0.982 480 G CA 0.015 44.783 45.100 -0.552 0.000 0.662 480 G HN 0.836 nan 8.290 nan 0.000 0.527 481 N N -0.244 118.338 118.700 -0.197 0.000 2.519 481 N HA 0.408 5.147 4.740 -0.001 0.000 0.291 481 N C -1.620 173.731 175.510 -0.264 0.000 1.107 481 N CA -1.379 51.533 53.050 -0.231 0.000 0.904 481 N CB 2.433 40.876 38.487 -0.074 0.000 1.500 481 N HN -0.051 nan 8.380 nan 0.000 0.510 482 P HA -0.052 nan 4.420 nan 0.000 0.226 482 P C -0.438 176.876 177.300 0.022 0.000 1.153 482 P CA 0.585 63.561 63.100 -0.207 0.000 0.777 482 P CB 0.365 31.760 31.700 -0.508 0.000 0.794 483 N N 1.486 120.161 118.700 -0.041 0.000 2.518 483 N HA 0.103 4.842 4.740 -0.001 0.000 0.283 483 N C 0.050 175.618 175.510 0.097 0.000 1.119 483 N CA -0.058 53.063 53.050 0.118 0.000 0.983 483 N CB 0.800 39.358 38.487 0.118 0.000 1.139 483 N HN -0.003 nan 8.380 nan 0.000 0.465 484 E N 3.057 123.349 120.200 0.154 0.000 2.223 484 E HA 0.206 4.556 4.350 -0.001 0.000 0.282 484 E C -1.782 174.883 176.600 0.108 0.000 1.046 484 E CA -1.310 55.172 56.400 0.136 0.000 0.857 484 E CB 0.174 29.997 29.700 0.204 0.000 1.055 484 E HN 0.334 nan 8.360 nan 0.000 0.409 491 K N 2.818 123.319 120.400 0.169 0.000 2.234 491 K HA 0.258 4.577 4.320 -0.001 0.000 0.282 491 K C -0.365 176.402 176.600 0.278 0.000 1.039 491 K CA -0.489 55.929 56.287 0.218 0.000 0.928 491 K CB 0.359 32.968 32.500 0.182 0.000 1.039 491 K HN 0.648 nan 8.250 nan 0.000 0.470 492 W N 7.293 128.651 121.300 0.096 0.000 2.437 492 W HA 0.178 4.838 4.660 -0.000 0.000 0.312 492 W C -2.296 174.346 176.519 0.206 0.000 1.242 492 W CA -2.469 54.934 57.345 0.097 0.000 1.340 492 W CB 0.043 29.479 29.460 -0.039 0.000 1.327 492 W HN 0.401 nan 8.180 nan 0.000 0.476 493 P HA 0.060 nan 4.420 nan 0.000 0.277 493 P C -0.548 176.945 177.300 0.321 0.000 1.240 493 P CA -0.579 62.736 63.100 0.359 0.000 0.798 493 P CB 1.683 33.513 31.700 0.216 0.000 0.979 494 L N 2.896 124.178 121.223 0.098 0.000 2.456 494 L HA 0.183 4.523 4.340 -0.001 0.000 0.272 494 L C -0.050 176.798 176.870 -0.037 0.000 1.189 494 L CA -0.165 54.539 54.840 -0.227 0.000 0.846 494 L CB -0.761 41.183 42.059 -0.192 0.000 1.111 494 L HN 0.237 nan 8.230 nan 0.000 0.475 495 F N 4.401 124.245 119.950 -0.178 0.000 2.438 495 F HA 0.503 5.030 4.527 -0.001 0.000 0.356 495 F C 0.296 176.066 175.800 -0.051 0.000 1.099 495 F CA -0.086 57.901 58.000 -0.022 0.000 1.185 495 F CB 0.629 39.639 39.000 0.017 0.000 1.115 495 F HN 0.665 nan 8.300 nan 0.000 0.526 496 T N 1.117 115.353 114.554 -0.530 0.000 2.916 496 T HA 0.280 4.629 4.350 -0.001 0.000 0.292 496 T C 0.858 175.261 174.700 -0.495 0.000 1.064 496 T CA -0.401 61.503 62.100 -0.327 0.000 1.011 496 T CB 1.462 70.217 68.868 -0.188 0.000 1.152 496 T HN 0.526 nan 8.240 nan 0.000 0.510 497 T N 0.336 114.761 114.554 -0.215 0.000 2.720 497 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 497 T C 2.058 176.655 174.700 -0.172 0.000 1.037 497 T CA 1.808 63.821 62.100 -0.146 0.000 1.144 497 T CB -0.287 68.533 68.868 -0.079 0.000 0.864 497 T HN 0.594 nan 8.240 nan 0.000 0.444 498 K N 0.734 121.037 120.400 -0.160 0.000 1.991 498 K HA 0.005 4.325 4.320 -0.001 0.000 0.207 498 K C 2.298 178.814 176.600 -0.140 0.000 1.045 498 K CA 1.288 57.502 56.287 -0.121 0.000 0.937 498 K CB -0.435 32.012 32.500 -0.089 0.000 0.720 498 K HN 0.323 nan 8.250 nan 0.000 0.438 499 E N 0.352 120.442 120.200 -0.183 0.000 2.170 499 E HA 0.096 4.445 4.350 -0.001 0.000 0.191 499 E C 0.404 176.880 176.600 -0.207 0.000 0.981 499 E CA 0.667 56.973 56.400 -0.157 0.000 0.830 499 E CB 0.058 29.684 29.700 -0.123 0.000 0.775 499 E HN 0.518 nan 8.360 nan 0.000 0.470 500 Q N 0.185 119.688 119.800 -0.494 0.000 2.457 500 Q HA -0.247 4.093 4.340 -0.001 0.000 0.283 500 Q C -0.739 175.240 176.000 -0.034 0.000 1.234 500 Q CA 0.632 56.029 55.803 -0.678 0.000 0.877 500 Q CB -1.590 27.024 28.738 -0.206 0.000 1.250 500 Q HN 0.204 nan 8.270 nan 0.000 0.481 501 K N 0.534 120.933 120.400 -0.002 0.000 2.258 501 K HA 0.492 4.812 4.320 -0.001 0.000 0.264 501 K C 0.088 177.009 176.600 0.535 0.000 1.007 501 K CA 0.309 56.719 56.287 0.205 0.000 0.941 501 K CB 0.393 32.953 32.500 0.100 0.000 0.966 501 K HN 0.215 nan 8.250 nan 0.000 0.480 502 F N -0.432 119.703 119.950 0.309 0.000 2.711 502 F HA 0.610 5.136 4.527 -0.001 0.000 0.313 502 F C -1.000 174.935 175.800 0.224 0.000 1.141 502 F CA -1.529 56.690 58.000 0.365 0.000 0.941 502 F CB 0.796 40.008 39.000 0.352 0.000 1.349 502 F HN 0.407 nan 8.300 nan 0.000 0.464 503 I N -0.848 119.887 120.570 0.275 0.000 2.846 503 I HA 0.645 4.815 4.170 -0.001 0.000 0.307 503 I C -1.223 175.060 176.117 0.276 0.000 1.053 503 I CA -0.892 60.397 61.300 -0.018 0.000 1.050 503 I CB 2.076 39.853 38.000 -0.372 0.000 1.239 503 I HN 0.453 nan 8.210 nan 0.000 0.439 504 D N 3.187 123.717 120.400 0.217 0.000 2.253 504 D HA 0.478 5.118 4.640 -0.001 0.000 0.249 504 D C -0.949 175.446 176.300 0.158 0.000 1.049 504 D CA -0.030 54.196 54.000 0.376 0.000 0.929 504 D CB 2.436 43.456 40.800 0.366 0.000 1.176 504 D HN 0.252 nan 8.370 nan 0.000 0.437 505 L N 2.887 124.204 121.223 0.157 0.000 2.353 505 L HA 0.281 4.620 4.340 -0.001 0.000 0.270 505 L C -0.663 176.128 176.870 -0.132 0.000 1.003 505 L CA -0.323 54.550 54.840 0.055 0.000 0.862 505 L CB 0.102 42.264 42.059 0.173 0.000 1.221 505 L HN 0.513 nan 8.230 nan 0.000 0.430 506 N N -0.142 118.475 118.700 -0.138 0.000 3.517 506 N HA 0.295 5.035 4.740 -0.001 0.000 0.329 506 N C 0.311 175.696 175.510 -0.209 0.000 1.569 506 N CA -0.013 52.889 53.050 -0.247 0.000 0.852 506 N CB 0.321 38.728 38.487 -0.134 0.000 1.955 506 N HN 0.063 nan 8.380 nan 0.000 0.555 507 T N -3.951 110.466 114.554 -0.229 0.000 3.129 507 T HA 0.247 4.597 4.350 -0.001 0.000 0.251 507 T C -0.055 174.605 174.700 -0.067 0.000 1.117 507 T CA 0.430 62.423 62.100 -0.179 0.000 1.034 507 T CB -0.252 68.480 68.868 -0.227 0.000 0.968 507 T HN 0.375 nan 8.240 nan 0.000 0.526 508 E N 2.271 122.452 120.200 -0.032 0.000 2.312 508 E HA 0.483 4.833 4.350 -0.001 0.000 0.259 508 E C -2.585 174.014 176.600 -0.001 0.000 1.122 508 E CA -2.637 53.762 56.400 -0.001 0.000 0.922 508 E CB -0.211 29.502 29.700 0.022 0.000 1.109 508 E HN 0.154 nan 8.360 nan 0.000 0.442 509 P HA 0.052 nan 4.420 nan 0.000 0.271 509 P C -0.245 177.057 177.300 0.003 0.000 1.220 509 P CA -0.001 63.104 63.100 0.008 0.000 0.768 509 P CB 0.345 32.050 31.700 0.009 0.000 0.848 510 M N 2.933 122.538 119.600 0.009 0.000 2.243 510 M HA -0.049 4.431 4.480 -0.001 0.000 0.365 510 M C -0.546 175.720 176.300 -0.057 0.000 1.327 510 M CA 1.144 56.438 55.300 -0.011 0.000 0.918 510 M CB 0.042 32.654 32.600 0.019 0.000 1.894 510 M HN 0.019 nan 8.290 nan 0.000 0.473 511 K N 4.070 124.398 120.400 -0.121 0.000 2.324 511 K HA 0.672 4.992 4.320 -0.001 0.000 0.253 511 K C -1.193 175.135 176.600 -0.453 0.000 0.932 511 K CA -0.884 55.247 56.287 -0.260 0.000 0.799 511 K CB 2.253 34.587 32.500 -0.276 0.000 1.154 511 K HN 0.618 nan 8.250 nan 0.000 0.425 512 V N 3.630 123.261 119.914 -0.473 0.000 2.472 512 V HA 0.507 4.626 4.120 -0.001 0.000 0.290 512 V C -0.093 175.588 176.094 -0.688 0.000 1.037 512 V CA -0.560 61.466 62.300 -0.457 0.000 0.908 512 V CB 1.151 32.858 31.823 -0.194 0.000 0.985 512 V HN 0.845 nan 8.190 nan 0.000 0.454 513 H N 2.929 121.643 119.070 -0.594 0.000 2.949 513 H HA 0.649 5.205 4.556 -0.001 0.000 0.310 513 H C -1.154 173.876 175.328 -0.497 0.000 1.405 513 H CA -0.865 54.814 56.048 -0.616 0.000 1.253 513 H CB 2.153 31.393 29.762 -0.870 0.000 1.932 513 H HN 0.547 nan 8.280 nan 0.000 0.602 514 Q N 0.169 119.977 119.800 0.013 0.000 2.421 514 Q HA 0.380 4.720 4.340 -0.001 0.000 0.280 514 Q C -0.649 175.589 176.000 0.397 0.000 1.085 514 Q CA -0.938 54.991 55.803 0.210 0.000 0.807 514 Q CB 2.949 31.744 28.738 0.095 0.000 1.405 514 Q HN 0.459 nan 8.270 nan 0.000 0.419 515 R N 0.889 121.628 120.500 0.398 0.000 3.146 515 R HA -0.201 4.138 4.340 -0.001 0.000 0.250 515 R C -0.552 175.895 176.300 0.246 0.000 0.912 515 R CA -0.146 56.126 56.100 0.287 0.000 0.633 515 R CB -1.540 28.863 30.300 0.172 0.000 1.180 515 R HN 0.475 nan 8.270 nan 0.000 0.464 516 L N 1.995 123.305 121.223 0.145 0.000 2.700 516 L HA -0.068 4.271 4.340 -0.001 0.000 0.276 516 L C 0.965 177.779 176.870 -0.094 0.000 1.200 516 L CA 0.976 55.649 54.840 -0.278 0.000 0.951 516 L CB -0.274 41.285 42.059 -0.833 0.000 1.226 516 L HN 0.451 nan 8.230 nan 0.000 0.489 517 R N 2.094 122.554 120.500 -0.066 0.000 3.387 517 R HA -0.206 4.134 4.340 -0.001 0.000 0.254 517 R C 1.239 177.590 176.300 0.085 0.000 1.006 517 R CA 0.591 56.704 56.100 0.022 0.000 0.677 517 R CB -1.806 28.524 30.300 0.049 0.000 1.063 517 R HN 0.752 nan 8.270 nan 0.000 0.453 518 V N -2.397 117.570 119.914 0.088 0.000 2.287 518 V HA -0.349 3.770 4.120 -0.001 0.000 0.248 518 V C 2.303 178.466 176.094 0.115 0.000 1.053 518 V CA 2.189 64.555 62.300 0.111 0.000 1.027 518 V CB -0.518 31.364 31.823 0.099 0.000 0.646 518 V HN 0.329 nan 8.190 nan 0.000 0.447 519 Q N -0.147 119.703 119.800 0.083 0.000 2.014 519 Q HA -0.206 4.134 4.340 -0.001 0.000 0.207 519 Q C 2.172 178.232 176.000 0.100 0.000 0.993 519 Q CA 2.309 58.149 55.803 0.062 0.000 0.850 519 Q CB -0.419 28.327 28.738 0.013 0.000 0.916 519 Q HN 0.525 nan 8.270 nan 0.000 0.417 520 M N -1.114 118.567 119.600 0.134 0.000 2.175 520 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 520 M C 2.358 178.935 176.300 0.463 0.000 1.063 520 M CA 0.914 56.371 55.300 0.260 0.000 1.119 520 M CB -1.192 31.615 32.600 0.345 0.000 1.377 520 M HN 0.337 nan 8.290 nan 0.000 0.415 521 c N -0.457 118.358 118.600 0.358 0.000 2.448 521 c HA -0.020 4.549 4.570 -0.001 0.000 0.280 521 c C 2.915 177.187 174.090 0.303 0.000 1.398 521 c CA 0.194 56.743 56.329 0.367 0.000 1.774 521 c CB -0.922 41.736 42.510 0.246 0.000 1.888 521 c HN 0.313 nan 8.230 nan 0.000 0.519 522 V N 0.498 120.556 119.914 0.239 0.000 2.427 522 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 522 V C 2.035 178.258 176.094 0.216 0.000 1.051 522 V CA 2.044 64.458 62.300 0.190 0.000 1.048 522 V CB -0.752 31.155 31.823 0.141 0.000 0.666 522 V HN 0.572 nan 8.190 nan 0.000 0.456 523 F N 0.020 120.015 119.950 0.076 0.000 2.075 523 F HA -0.193 4.333 4.527 -0.000 0.000 0.297 523 F C 1.976 177.770 175.800 -0.010 0.000 1.113 523 F CA 1.797 59.796 58.000 -0.000 0.000 1.218 523 F CB -0.392 38.501 39.000 -0.178 0.000 0.984 523 F HN 0.170 nan 8.300 nan 0.000 0.472 524 W N 0.551 121.971 121.300 0.201 0.000 2.436 524 W HA -0.087 4.573 4.660 -0.001 0.000 0.284 524 W C 2.023 178.519 176.519 -0.039 0.000 1.225 524 W CA 0.814 58.187 57.345 0.047 0.000 1.271 524 W CB -0.425 29.173 29.460 0.229 0.000 1.114 524 W HN -0.009 nan 8.180 nan 0.000 0.559 525 N N -0.869 117.950 118.700 0.198 0.000 2.388 525 N HA 0.000 4.740 4.740 -0.001 0.000 0.176 525 N C 1.371 176.877 175.510 -0.007 0.000 1.062 525 N CA 0.847 53.926 53.050 0.048 0.000 0.895 525 N CB 0.018 38.541 38.487 0.060 0.000 1.018 525 N HN 0.361 nan 8.380 nan 0.000 0.456 526 Q N -1.049 118.768 119.800 0.028 0.000 2.644 526 Q HA 0.202 4.541 4.340 -0.001 0.000 0.220 526 Q C 1.254 177.249 176.000 -0.009 0.000 0.866 526 Q CA -0.122 55.695 55.803 0.023 0.000 0.915 526 Q CB 0.072 28.859 28.738 0.081 0.000 1.191 526 Q HN 0.098 nan 8.270 nan 0.000 0.641 527 F N 1.899 121.755 119.950 -0.157 0.000 2.060 527 F HA -0.190 4.336 4.527 -0.001 0.000 0.295 527 F C 1.993 177.590 175.800 -0.338 0.000 1.120 527 F CA 1.078 58.949 58.000 -0.215 0.000 1.205 527 F CB -0.310 38.584 39.000 -0.177 0.000 0.986 527 F HN 0.043 nan 8.300 nan 0.000 0.470 528 L N 1.097 121.886 121.223 -0.725 0.000 2.012 528 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 528 L C -0.823 175.760 176.870 -0.479 0.000 1.073 528 L CA 2.233 56.602 54.840 -0.785 0.000 0.748 528 L CB -1.930 39.597 42.059 -0.886 0.000 0.891 528 L HN 0.020 nan 8.230 nan 0.000 0.431 529 P HA -0.210 nan 4.420 nan 0.000 0.215 529 P C 1.505 178.673 177.300 -0.221 0.000 1.153 529 P CA 1.594 64.581 63.100 -0.188 0.000 0.853 529 P CB -0.041 31.585 31.700 -0.123 0.000 0.788 530 K N -0.568 119.670 120.400 -0.270 0.000 2.057 530 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 530 K C 1.945 178.355 176.600 -0.317 0.000 1.049 530 K CA 1.112 57.253 56.287 -0.244 0.000 0.931 530 K CB -0.810 31.564 32.500 -0.210 0.000 0.714 530 K HN -0.066 nan 8.250 nan 0.000 0.440 531 L N 1.526 122.425 121.223 -0.541 0.000 2.012 531 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 531 L C 1.860 178.560 176.870 -0.282 0.000 1.073 531 L CA 1.685 56.224 54.840 -0.503 0.000 0.748 531 L CB -0.549 41.049 42.059 -0.768 0.000 0.891 531 L HN 0.247 nan 8.230 nan 0.000 0.431 532 L N -0.549 120.525 121.223 -0.249 0.000 2.141 532 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 532 L C 2.237 179.040 176.870 -0.111 0.000 1.094 532 L CA 1.339 56.088 54.840 -0.153 0.000 0.763 532 L CB -0.661 41.331 42.059 -0.112 0.000 0.908 532 L HN 0.420 nan 8.230 nan 0.000 0.437 533 N N 0.188 118.817 118.700 -0.118 0.000 2.331 533 N HA -0.107 4.633 4.740 -0.001 0.000 0.180 533 N C 1.675 177.140 175.510 -0.075 0.000 1.019 533 N CA 1.205 54.204 53.050 -0.084 0.000 0.881 533 N CB 0.131 38.569 38.487 -0.082 0.000 0.972 533 N HN 0.265 nan 8.380 nan 0.000 0.435 534 A N -0.804 121.960 122.820 -0.093 0.000 1.984 534 A HA 0.122 4.442 4.320 -0.001 0.000 0.214 534 A C 1.325 178.873 177.584 -0.061 0.000 1.173 534 A CA 1.123 53.118 52.037 -0.071 0.000 0.673 534 A CB -0.715 18.239 19.000 -0.077 0.000 0.830 534 A HN 0.475 nan 8.150 nan 0.000 0.453 535 T N 0.000 114.510 114.554 -0.074 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.065 62.100 -0.059 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.065 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658