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 2w9i_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 0.000 174.647 174.600 0.079 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.228 63.200 0.047 0.000 0.593 5 E N 2.525 122.776 120.200 0.086 0.000 2.265 5 E HA 0.000 4.350 4.350 -0.001 0.000 0.196 5 E C 1.021 177.743 176.600 0.203 0.000 0.996 5 E CA 1.013 57.492 56.400 0.130 0.000 0.832 5 E CB -0.008 29.757 29.700 0.109 0.000 0.756 5 E HN 0.696 nan 8.360 nan 0.000 0.491 6 L N 0.752 122.064 121.223 0.149 0.000 2.607 6 L HA 0.159 4.498 4.340 -0.001 0.000 0.228 6 L C -0.042 177.008 176.870 0.300 0.000 1.123 6 L CA -0.377 54.553 54.840 0.149 0.000 0.890 6 L CB 0.411 42.467 42.059 -0.005 0.000 1.103 6 L HN 0.079 nan 8.230 nan 0.000 0.468 7 L N 0.662 122.035 121.223 0.250 0.000 2.313 7 L HA 0.575 4.915 4.340 -0.001 0.000 0.283 7 L C -0.600 176.353 176.870 0.138 0.000 1.013 7 L CA -0.484 54.483 54.840 0.212 0.000 0.816 7 L CB 1.787 43.914 42.059 0.114 0.000 1.236 7 L HN -0.331 nan 8.230 nan 0.000 0.419 8 V N 4.643 124.604 119.914 0.079 0.000 2.686 8 V HA 0.485 4.605 4.120 -0.001 0.000 0.306 8 V C -0.398 175.589 176.094 -0.178 0.000 1.065 8 V CA -0.940 61.234 62.300 -0.211 0.000 0.894 8 V CB 2.074 33.437 31.823 -0.767 0.000 1.004 8 V HN 0.705 nan 8.190 nan 0.000 0.424 9 N N 2.842 121.379 118.700 -0.273 0.000 2.422 9 N HA 0.497 5.237 4.740 -0.001 0.000 0.266 9 N C -0.173 175.016 175.510 -0.535 0.000 1.007 9 N CA 0.047 52.913 53.050 -0.306 0.000 0.941 9 N CB 1.916 40.201 38.487 -0.337 0.000 1.115 9 N HN 0.953 nan 8.380 nan 0.000 0.492 10 T N -0.388 113.965 114.554 -0.334 0.000 2.927 10 T HA 0.383 4.733 4.350 -0.001 0.000 0.286 10 T C 1.150 175.660 174.700 -0.316 0.000 1.040 10 T CA -0.603 61.307 62.100 -0.317 0.000 1.010 10 T CB 1.446 70.374 68.868 0.100 0.000 1.177 10 T HN 0.310 nan 8.240 nan 0.000 0.546 11 K N 0.298 120.577 120.400 -0.201 0.000 2.281 11 K HA -0.022 4.297 4.320 -0.001 0.000 0.203 11 K C 1.933 178.416 176.600 -0.196 0.000 1.046 11 K CA 1.314 57.500 56.287 -0.168 0.000 0.938 11 K CB -0.144 32.299 32.500 -0.094 0.000 0.737 11 K HN 0.485 nan 8.250 nan 0.000 0.458 12 S N -0.283 115.291 115.700 -0.209 0.000 2.548 12 S HA 0.194 4.663 4.470 -0.001 0.000 0.215 12 S C 0.520 174.474 174.600 -1.076 0.000 0.976 12 S CA 0.181 58.120 58.200 -0.434 0.000 0.908 12 S CB 0.921 64.007 63.200 -0.190 0.000 0.781 12 S HN 0.543 nan 8.310 nan 0.000 0.519 13 G N 1.350 109.713 108.800 -0.729 0.000 2.353 13 G HA2 0.055 4.014 3.960 -0.001 0.000 0.424 13 G HA3 0.055 4.014 3.960 -0.001 0.000 0.424 13 G C -1.682 173.161 174.900 -0.096 0.000 1.320 13 G CA -1.191 43.475 45.100 -0.723 0.000 0.995 13 G HN 0.096 nan 8.290 nan 0.000 0.580 14 K N -0.721 119.798 120.400 0.198 0.000 2.144 14 K HA 0.658 4.978 4.320 -0.001 0.000 0.270 14 K C -0.554 176.393 176.600 0.579 0.000 1.005 14 K CA -0.618 55.845 56.287 0.294 0.000 0.932 14 K CB 2.232 34.857 32.500 0.207 0.000 1.021 14 K HN 0.373 nan 8.250 nan 0.000 0.462 15 V N 3.036 123.228 119.914 0.464 0.000 2.789 15 V HA 0.371 4.491 4.120 -0.001 0.000 0.311 15 V C -1.063 175.330 176.094 0.498 0.000 1.073 15 V CA -0.905 61.737 62.300 0.570 0.000 0.921 15 V CB 1.964 34.160 31.823 0.621 0.000 1.009 15 V HN 0.770 nan 8.190 nan 0.000 0.426 16 M N 4.284 124.151 119.600 0.446 0.000 2.190 16 M HA 0.784 5.264 4.480 -0.001 0.000 0.312 16 M C 0.111 176.533 176.300 0.203 0.000 0.990 16 M CA 0.120 55.611 55.300 0.319 0.000 0.927 16 M CB 1.547 34.250 32.600 0.171 0.000 1.571 16 M HN 0.702 nan 8.290 nan 0.000 0.427 17 G N 1.364 110.136 108.800 -0.046 0.000 2.695 17 G HA2 0.679 4.638 3.960 -0.001 0.000 0.213 17 G HA3 0.679 4.638 3.960 -0.001 0.000 0.213 17 G C -1.080 173.621 174.900 -0.332 0.000 1.406 17 G CA -0.307 44.482 45.100 -0.519 0.000 1.049 17 G HN 0.700 nan 8.290 nan 0.000 0.573 18 T N -1.091 113.230 114.554 -0.388 0.000 2.942 18 T HA 0.468 4.818 4.350 -0.001 0.000 0.327 18 T C -1.014 173.576 174.700 -0.183 0.000 1.360 18 T CA -0.668 61.301 62.100 -0.218 0.000 1.055 18 T CB 1.276 70.036 68.868 -0.180 0.000 1.261 18 T HN 0.406 nan 8.240 nan 0.000 0.485 19 R N 1.858 122.299 120.500 -0.099 0.000 2.357 19 R HA 0.610 4.949 4.340 -0.001 0.000 0.296 19 R C -0.314 175.996 176.300 0.018 0.000 1.052 19 R CA -0.545 55.537 56.100 -0.030 0.000 0.988 19 R CB 1.219 31.500 30.300 -0.030 0.000 1.025 19 R HN 0.541 nan 8.270 nan 0.000 0.469 20 V N 0.664 120.618 119.914 0.067 0.000 2.735 20 V HA 0.609 4.728 4.120 -0.001 0.000 0.310 20 V C -2.570 173.546 176.094 0.036 0.000 1.061 20 V CA -2.709 59.623 62.300 0.052 0.000 0.913 20 V CB 2.110 33.954 31.823 0.035 0.000 1.005 20 V HN 0.644 nan 8.190 nan 0.000 0.428 21 P HA 0.550 nan 4.420 nan 0.000 0.282 21 P C -1.033 176.096 177.300 -0.286 0.000 1.249 21 P CA -0.383 62.529 63.100 -0.313 0.000 0.806 21 P CB 1.753 33.272 31.700 -0.301 0.000 0.984 22 V N 2.833 122.510 119.914 -0.395 0.000 2.610 22 V HA 0.190 4.310 4.120 -0.001 0.000 0.298 22 V C 0.560 176.405 176.094 -0.416 0.000 1.067 22 V CA -0.968 61.106 62.300 -0.375 0.000 0.894 22 V CB 1.176 32.691 31.823 -0.514 0.000 1.015 22 V HN 0.474 nan 8.190 nan 0.000 0.432 23 L N 3.952 125.066 121.223 -0.182 0.000 3.739 23 L HA -0.271 4.069 4.340 -0.001 0.000 0.442 23 L C 1.206 177.958 176.870 -0.198 0.000 1.241 23 L CA 0.763 55.522 54.840 -0.134 0.000 0.819 23 L CB -1.468 40.553 42.059 -0.063 0.000 1.679 23 L HN 1.500 nan 8.230 nan 0.000 0.889 24 S N -3.166 112.407 115.700 -0.212 0.000 3.533 24 S HA -0.251 4.219 4.470 -0.001 0.000 0.347 24 S C 0.274 174.742 174.600 -0.219 0.000 1.101 24 S CA 1.336 59.419 58.200 -0.195 0.000 1.009 24 S CB -1.229 61.917 63.200 -0.089 0.000 0.916 24 S HN 0.935 nan 8.310 nan 0.000 0.496 25 S N -0.494 114.980 115.700 -0.376 0.000 3.081 25 S HA 0.882 5.352 4.470 -0.001 0.000 0.316 25 S C -0.882 173.410 174.600 -0.514 0.000 1.089 25 S CA -0.416 57.603 58.200 -0.302 0.000 0.897 25 S CB 1.164 64.234 63.200 -0.217 0.000 1.358 25 S HN 0.745 nan 8.310 nan 0.000 0.678 26 H N -0.651 118.349 119.070 -0.117 0.000 3.016 26 H HA 0.744 5.300 4.556 -0.001 0.000 0.362 26 H C -0.517 174.815 175.328 0.007 0.000 1.233 26 H CA -0.274 55.734 56.048 -0.067 0.000 1.124 26 H CB 1.541 31.288 29.762 -0.023 0.000 1.850 26 H HN 0.730 nan 8.280 nan 0.000 0.549 27 I N -2.462 118.203 120.570 0.159 0.000 3.458 27 I HA 0.730 4.900 4.170 -0.001 0.000 0.316 27 I C -1.140 175.070 176.117 0.154 0.000 1.202 27 I CA -1.024 60.391 61.300 0.192 0.000 0.929 27 I CB 2.347 40.493 38.000 0.244 0.000 1.340 27 I HN 0.455 nan 8.210 nan 0.000 0.481 28 S N 0.821 116.622 115.700 0.167 0.000 2.638 28 S HA 0.915 5.385 4.470 -0.001 0.000 0.298 28 S C -0.429 174.182 174.600 0.017 0.000 1.111 28 S CA -0.536 57.689 58.200 0.041 0.000 1.027 28 S CB 1.648 64.883 63.200 0.059 0.000 1.064 28 S HN 0.967 nan 8.310 nan 0.000 0.525 29 A N 1.389 124.041 122.820 -0.281 0.000 2.427 29 A HA 0.758 5.077 4.320 -0.001 0.000 0.298 29 A C -1.596 175.645 177.584 -0.573 0.000 1.036 29 A CA -0.662 51.148 52.037 -0.378 0.000 0.701 29 A CB 0.616 19.371 19.000 -0.408 0.000 1.250 29 A HN 0.625 nan 8.150 nan 0.000 0.412 30 F N 2.621 122.453 119.950 -0.196 0.000 2.366 30 F HA 0.503 5.030 4.527 -0.001 0.000 0.366 30 F C -0.135 175.562 175.800 -0.173 0.000 1.096 30 F CA -0.346 57.619 58.000 -0.059 0.000 1.060 30 F CB 1.338 40.407 39.000 0.115 0.000 1.282 30 F HN 0.367 nan 8.300 nan 0.000 0.450 31 L N 2.148 123.337 121.223 -0.057 0.000 2.322 31 L HA 0.705 5.045 4.340 -0.001 0.000 0.279 31 L C 0.941 177.848 176.870 0.062 0.000 1.036 31 L CA -0.944 53.844 54.840 -0.086 0.000 0.807 31 L CB 1.647 43.567 42.059 -0.232 0.000 1.226 31 L HN 0.823 nan 8.230 nan 0.000 0.433 32 G N 2.960 111.821 108.800 0.101 0.000 2.225 32 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.264 32 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.264 32 G C -0.168 174.832 174.900 0.166 0.000 1.060 32 G CA -0.358 44.807 45.100 0.107 0.000 0.833 32 G HN 0.457 nan 8.290 nan 0.000 0.498 33 I N 2.257 122.851 120.570 0.040 0.000 2.416 33 I HA 0.264 4.434 4.170 -0.001 0.000 0.288 33 I C -1.402 174.521 176.117 -0.324 0.000 1.051 33 I CA -2.168 58.980 61.300 -0.252 0.000 1.375 33 I CB 1.273 39.107 38.000 -0.276 0.000 1.407 33 I HN -0.008 nan 8.210 nan 0.000 0.516 34 P HA 0.131 nan 4.420 nan 0.000 0.284 34 P C -0.457 176.432 177.300 -0.685 0.000 1.253 34 P CA -0.121 62.458 63.100 -0.868 0.000 0.800 34 P CB 0.844 31.971 31.700 -0.956 0.000 0.961 35 F N -0.051 119.557 119.950 -0.571 0.000 2.798 35 F HA 0.744 5.271 4.527 -0.001 0.000 0.328 35 F C -0.055 175.630 175.800 -0.191 0.000 1.098 35 F CA -0.941 56.777 58.000 -0.470 0.000 1.172 35 F CB -0.017 38.687 39.000 -0.494 0.000 1.072 35 F HN 0.354 nan 8.300 nan 0.000 0.555 36 A N -0.067 122.413 122.820 -0.566 0.000 2.594 36 A HA 0.636 4.956 4.320 -0.001 0.000 0.291 36 A C -0.865 176.533 177.584 -0.310 0.000 1.105 36 A CA -0.753 51.110 52.037 -0.289 0.000 0.694 36 A CB 1.054 19.878 19.000 -0.293 0.000 1.291 36 A HN 0.039 nan 8.150 nan 0.000 0.410 37 E N 1.084 121.192 120.200 -0.152 0.000 2.392 37 E HA 0.266 4.616 4.350 -0.001 0.000 0.264 37 E C -2.317 174.185 176.600 -0.163 0.000 1.024 37 E CA -1.414 54.913 56.400 -0.121 0.000 0.903 37 E CB 0.048 29.722 29.700 -0.043 0.000 0.963 37 E HN 0.231 nan 8.360 nan 0.000 0.432 38 P HA -0.017 nan 4.420 nan 0.000 0.258 38 P C -2.277 174.970 177.300 -0.088 0.000 1.172 38 P CA -0.591 62.439 63.100 -0.117 0.000 0.762 38 P CB -0.106 31.561 31.700 -0.053 0.000 0.764 39 P HA 0.038 nan 4.420 nan 0.000 0.214 39 P C -0.296 176.953 177.300 -0.085 0.000 1.826 39 P CA -0.055 62.999 63.100 -0.077 0.000 0.977 39 P CB -0.052 31.606 31.700 -0.069 0.000 1.930 40 V N -2.554 117.316 119.914 -0.073 0.000 3.193 40 V HA 0.920 5.040 4.120 -0.001 0.000 0.320 40 V C 0.972 177.024 176.094 -0.070 0.000 1.112 40 V CA 0.069 62.323 62.300 -0.077 0.000 1.026 40 V CB 0.680 32.468 31.823 -0.058 0.000 1.128 40 V HN 0.568 nan 8.190 nan 0.000 0.452 41 G N 1.029 109.787 108.800 -0.072 0.000 2.583 41 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.292 41 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.292 41 G C 0.918 175.778 174.900 -0.066 0.000 1.203 41 G CA 1.455 46.520 45.100 -0.057 0.000 0.987 41 G HN 2.112 nan 8.290 nan 0.000 0.554 42 N N -0.185 118.496 118.700 -0.032 0.000 2.585 42 N HA 0.172 4.912 4.740 -0.001 0.000 0.188 42 N C 2.326 177.824 175.510 -0.019 0.000 1.102 42 N CA 2.197 55.240 53.050 -0.012 0.000 0.920 42 N CB -0.362 38.135 38.487 0.017 0.000 0.963 42 N HN 0.659 nan 8.380 nan 0.000 0.447 43 M N -0.444 119.131 119.600 -0.042 0.000 2.541 43 M HA 0.051 4.530 4.480 -0.001 0.000 0.252 43 M C 1.236 177.484 176.300 -0.087 0.000 1.125 43 M CA -0.077 55.198 55.300 -0.041 0.000 1.091 43 M CB 0.173 32.752 32.600 -0.035 0.000 1.420 43 M HN 0.338 nan 8.290 nan 0.000 0.486 44 R N 0.757 121.145 120.500 -0.187 0.000 2.585 44 R HA -0.104 4.236 4.340 -0.001 0.000 0.275 44 R C -0.347 175.682 176.300 -0.452 0.000 1.018 44 R CA 0.670 56.523 56.100 -0.411 0.000 1.072 44 R CB 0.181 30.097 30.300 -0.640 0.000 0.953 44 R HN 0.254 nan 8.270 nan 0.000 0.419 45 F N -0.863 119.085 119.950 -0.003 0.000 2.666 45 F HA -0.307 4.220 4.527 -0.001 0.000 0.458 45 F C 0.530 176.310 175.800 -0.034 0.000 0.561 45 F CA 1.010 58.983 58.000 -0.046 0.000 1.129 45 F CB -1.459 37.499 39.000 -0.069 0.000 1.751 45 F HN 0.624 nan 8.300 nan 0.000 0.275 46 R N 1.496 122.057 120.500 0.101 0.000 2.582 46 R HA 0.432 4.772 4.340 -0.001 0.000 0.271 46 R C 0.654 176.980 176.300 0.043 0.000 1.078 46 R CA -0.848 55.292 56.100 0.067 0.000 1.127 46 R CB 0.465 30.790 30.300 0.041 0.000 1.038 46 R HN 0.132 nan 8.270 nan 0.000 0.500 47 R N 2.500 123.026 120.500 0.044 0.000 2.538 47 R HA -0.064 4.276 4.340 -0.001 0.000 0.273 47 R C -1.806 174.518 176.300 0.040 0.000 0.967 47 R CA -0.353 55.773 56.100 0.043 0.000 1.101 47 R CB -0.217 30.114 30.300 0.051 0.000 0.908 47 R HN 0.417 nan 8.270 nan 0.000 0.411 48 P HA 0.015 nan 4.420 nan 0.000 0.274 48 P C -1.048 176.281 177.300 0.048 0.000 1.237 48 P CA -0.190 62.936 63.100 0.044 0.000 0.793 48 P CB 0.722 32.471 31.700 0.081 0.000 0.977 49 E N 1.240 121.457 120.200 0.029 0.000 2.263 49 E HA 0.540 4.890 4.350 -0.001 0.000 0.264 49 E C -2.690 173.937 176.600 0.045 0.000 0.923 49 E CA -2.928 53.496 56.400 0.040 0.000 0.802 49 E CB 0.961 30.679 29.700 0.030 0.000 1.228 49 E HN 0.192 nan 8.360 nan 0.000 0.417 50 P HA -0.005 nan 4.420 nan 0.000 0.268 50 P C -0.631 176.715 177.300 0.078 0.000 1.205 50 P CA -0.252 62.911 63.100 0.106 0.000 0.771 50 P CB 0.440 32.208 31.700 0.113 0.000 0.858 51 K N 2.615 123.067 120.400 0.086 0.000 2.448 51 K HA 0.072 4.392 4.320 -0.001 0.000 0.278 51 K C -0.314 176.366 176.600 0.133 0.000 1.009 51 K CA 0.130 56.464 56.287 0.077 0.000 0.995 51 K CB 0.086 32.630 32.500 0.075 0.000 0.917 51 K HN 0.051 nan 8.250 nan 0.000 0.481 52 K N 6.040 126.519 120.400 0.132 0.000 2.379 52 K HA 0.183 4.502 4.320 -0.001 0.000 0.284 52 K C -2.253 174.457 176.600 0.184 0.000 1.044 52 K CA -1.407 54.959 56.287 0.131 0.000 0.974 52 K CB 0.189 32.762 32.500 0.121 0.000 0.962 52 K HN 0.676 nan 8.250 nan 0.000 0.474 53 P HA 0.094 nan 4.420 nan 0.000 0.267 53 P C -0.751 176.575 177.300 0.045 0.000 1.200 53 P CA -0.193 62.842 63.100 -0.108 0.000 0.772 53 P CB 0.255 31.846 31.700 -0.181 0.000 0.855 54 W N 1.239 122.616 121.300 0.128 0.000 2.689 54 W HA 0.679 5.339 4.660 -0.001 0.000 0.340 54 W C -0.410 176.184 176.519 0.126 0.000 1.060 54 W CA -0.962 56.474 57.345 0.153 0.000 1.218 54 W CB 0.141 29.759 29.460 0.262 0.000 1.410 54 W HN 0.396 nan 8.180 nan 0.000 0.528 55 S N 2.119 117.986 115.700 0.278 0.000 2.693 55 S HA 0.862 5.331 4.470 -0.001 0.000 0.276 55 S C 0.547 175.338 174.600 0.319 0.000 1.192 55 S CA 0.099 58.406 58.200 0.179 0.000 0.994 55 S CB 0.796 64.064 63.200 0.114 0.000 1.012 55 S HN 2.195 nan 8.310 nan 0.000 0.550 56 G N -0.671 108.263 108.800 0.223 0.000 2.693 56 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.226 56 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.226 56 G C -0.875 174.229 174.900 0.340 0.000 1.354 56 G CA -0.382 44.854 45.100 0.227 0.000 0.873 56 G HN 1.638 nan 8.290 nan 0.000 0.562 57 V N 0.692 120.754 119.914 0.248 0.000 2.357 57 V HA 0.467 4.587 4.120 -0.001 0.000 0.284 57 V C 0.283 176.496 176.094 0.199 0.000 1.018 57 V CA -0.565 61.899 62.300 0.273 0.000 0.841 57 V CB 1.736 33.657 31.823 0.163 0.000 0.991 57 V HN 0.712 nan 8.190 nan 0.000 0.437 58 W N 5.462 126.834 121.300 0.120 0.000 2.356 58 W HA 0.185 4.845 4.660 -0.001 0.000 0.311 58 W C 0.350 176.858 176.519 -0.018 0.000 1.328 58 W CA -0.290 56.974 57.345 -0.135 0.000 1.251 58 W CB 0.763 29.987 29.460 -0.393 0.000 1.280 58 W HN 0.634 nan 8.180 nan 0.000 0.524 59 N N 4.760 123.239 118.700 -0.368 0.000 2.406 59 N HA 0.150 4.890 4.740 -0.001 0.000 0.265 59 N C -0.453 175.080 175.510 0.038 0.000 1.203 59 N CA 0.276 53.230 53.050 -0.160 0.000 0.945 59 N CB 0.802 39.121 38.487 -0.280 0.000 1.165 59 N HN 0.369 nan 8.380 nan 0.000 0.485 60 A N 2.782 125.729 122.820 0.212 0.000 3.154 60 A HA 0.221 4.541 4.320 -0.001 0.000 0.310 60 A C 0.963 178.570 177.584 0.038 0.000 1.093 60 A CA -0.429 51.756 52.037 0.247 0.000 1.006 60 A CB -0.421 18.813 19.000 0.390 0.000 1.084 60 A HN 0.627 nan 8.150 nan 0.000 0.549 61 S N -1.009 114.672 115.700 -0.032 0.000 2.512 61 S HA 0.177 4.646 4.470 -0.001 0.000 0.216 61 S C 0.765 175.283 174.600 -0.137 0.000 1.006 61 S CA 0.600 58.735 58.200 -0.108 0.000 0.915 61 S CB -0.185 62.958 63.200 -0.096 0.000 0.824 61 S HN 0.903 nan 8.310 nan 0.000 0.497 62 T N -0.812 113.680 114.554 -0.103 0.000 2.900 62 T HA 0.627 4.977 4.350 -0.001 0.000 0.295 62 T C -0.865 173.810 174.700 -0.042 0.000 1.044 62 T CA -0.731 61.304 62.100 -0.108 0.000 0.995 62 T CB 0.802 69.625 68.868 -0.074 0.000 1.072 62 T HN 0.052 nan 8.240 nan 0.000 0.473 63 Y N 3.213 123.480 120.300 -0.055 0.000 2.683 63 Y HA 0.285 4.835 4.550 -0.001 0.000 0.340 63 Y C -1.389 174.447 175.900 -0.107 0.000 1.245 63 Y CA -1.364 56.704 58.100 -0.053 0.000 1.485 63 Y CB 0.087 38.534 38.460 -0.021 0.000 1.328 63 Y HN 0.561 nan 8.280 nan 0.000 0.603 64 P HA 0.085 nan 4.420 nan 0.000 0.279 64 P C -0.591 176.625 177.300 -0.140 0.000 1.276 64 P CA -0.552 62.423 63.100 -0.209 0.000 0.801 64 P CB 0.873 32.362 31.700 -0.352 0.000 1.127 65 N N 0.463 119.051 118.700 -0.187 0.000 2.307 65 N HA 0.020 4.760 4.740 -0.001 0.000 0.230 65 N C 0.108 175.579 175.510 -0.065 0.000 1.297 65 N CA 0.492 53.479 53.050 -0.105 0.000 0.884 65 N CB -0.274 38.160 38.487 -0.087 0.000 1.115 65 N HN 0.447 nan 8.380 nan 0.000 0.436 66 N N -0.797 117.858 118.700 -0.075 0.000 2.466 66 N HA 0.297 5.037 4.740 -0.001 0.000 0.294 66 N C -0.474 174.992 175.510 -0.075 0.000 1.129 66 N CA -0.722 52.281 53.050 -0.079 0.000 0.931 66 N CB 1.015 39.429 38.487 -0.121 0.000 1.193 66 N HN 0.406 nan 8.380 nan 0.000 0.500 67 c N 1.359 119.918 118.600 -0.069 0.000 2.676 67 c HA 0.026 4.595 4.570 -0.001 0.000 0.416 67 c C 0.727 174.732 174.090 -0.141 0.000 1.299 67 c CA -0.550 55.721 56.329 -0.096 0.000 2.048 67 c CB -0.231 42.250 42.510 -0.049 0.000 2.713 67 c HN 0.535 nan 8.230 nan 0.000 0.624 68 Q N 2.666 122.304 119.800 -0.270 0.000 2.286 68 Q HA 0.173 4.513 4.340 -0.001 0.000 0.290 68 Q C -0.035 175.915 176.000 -0.083 0.000 1.049 68 Q CA 1.080 56.710 55.803 -0.289 0.000 0.923 68 Q CB 0.364 28.691 28.738 -0.685 0.000 1.183 68 Q HN 0.899 nan 8.270 nan 0.000 0.383 69 Q N 1.324 121.154 119.800 0.050 0.000 2.578 69 Q HA 0.272 4.611 4.340 -0.001 0.000 0.284 69 Q C -1.431 174.721 176.000 0.254 0.000 0.960 69 Q CA -0.973 54.946 55.803 0.193 0.000 0.809 69 Q CB 0.628 29.439 28.738 0.121 0.000 1.462 69 Q HN 0.500 nan 8.270 nan 0.000 0.392 70 Y N 1.346 121.822 120.300 0.293 0.000 2.610 70 Y HA 0.356 4.906 4.550 -0.001 0.000 0.332 70 Y C -1.044 175.026 175.900 0.284 0.000 1.201 70 Y CA 0.360 58.662 58.100 0.337 0.000 1.465 70 Y CB 0.902 39.671 38.460 0.514 0.000 1.283 70 Y HN 0.459 nan 8.280 nan 0.000 0.563 71 V N 6.874 126.438 119.914 -0.583 0.000 2.384 71 V HA 0.131 4.251 4.120 -0.001 0.000 0.287 71 V C -0.601 175.166 176.094 -0.544 0.000 1.020 71 V CA -1.018 61.073 62.300 -0.348 0.000 0.850 71 V CB 1.421 33.125 31.823 -0.198 0.000 0.987 71 V HN 0.782 nan 8.190 nan 0.000 0.436 72 D N 3.856 124.203 120.400 -0.088 0.000 2.371 72 D HA 0.136 4.776 4.640 -0.001 0.000 0.256 72 D C 0.523 176.882 176.300 0.098 0.000 1.193 72 D CA 0.254 54.344 54.000 0.150 0.000 0.881 72 D CB 1.066 42.083 40.800 0.361 0.000 1.143 72 D HN 0.679 nan 8.370 nan 0.000 0.473 73 E N 2.335 122.575 120.200 0.066 0.000 2.693 73 E HA -0.000 4.349 4.350 -0.001 0.000 0.214 73 E C 1.063 177.651 176.600 -0.020 0.000 0.990 73 E CA -0.299 56.124 56.400 0.038 0.000 1.047 73 E CB 0.609 30.303 29.700 -0.010 0.000 1.039 73 E HN 0.415 nan 8.360 nan 0.000 0.475 74 Q N -0.403 119.352 119.800 -0.075 0.000 2.152 74 Q HA -0.117 4.223 4.340 -0.001 0.000 0.206 74 Q C 0.016 175.548 176.000 -0.779 0.000 0.985 74 Q CA 1.288 56.785 55.803 -0.511 0.000 0.863 74 Q CB 0.100 28.319 28.738 -0.865 0.000 0.904 74 Q HN 0.236 nan 8.270 nan 0.000 0.422 75 F N -0.005 120.032 119.950 0.145 0.000 2.523 75 F HA 0.357 4.884 4.527 -0.001 0.000 0.322 75 F C -2.102 173.784 175.800 0.143 0.000 1.361 75 F CA -2.943 55.122 58.000 0.108 0.000 1.151 75 F CB 0.842 39.910 39.000 0.114 0.000 1.391 75 F HN -0.183 nan 8.300 nan 0.000 0.566 76 P HA 0.122 nan 4.420 nan 0.000 0.263 76 P C 1.084 178.476 177.300 0.154 0.000 1.175 76 P CA 1.380 64.560 63.100 0.133 0.000 0.761 76 P CB 0.768 32.511 31.700 0.071 0.000 0.794 77 G N 1.952 110.824 108.800 0.120 0.000 2.245 77 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.264 77 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.264 77 G C 0.042 175.017 174.900 0.126 0.000 0.985 77 G CA -0.165 44.991 45.100 0.094 0.000 0.625 77 G HN 0.554 nan 8.290 nan 0.000 0.536 78 F N 2.920 122.875 119.950 0.008 0.000 2.420 78 F HA 0.553 5.080 4.527 -0.001 0.000 0.352 78 F C 1.574 177.311 175.800 -0.106 0.000 1.108 78 F CA -0.181 57.771 58.000 -0.081 0.000 1.162 78 F CB 1.307 40.251 39.000 -0.092 0.000 1.118 78 F HN 0.204 nan 8.300 nan 0.000 0.510 79 S N 3.222 118.514 115.700 -0.681 0.000 2.428 79 S HA -0.043 4.426 4.470 -0.001 0.000 0.230 79 S C 2.153 176.334 174.600 -0.699 0.000 1.014 79 S CA 0.709 58.575 58.200 -0.557 0.000 0.957 79 S CB -1.069 61.868 63.200 -0.438 0.000 0.784 79 S HN 0.845 nan 8.310 nan 0.000 0.499 80 G N 2.001 109.902 108.800 -1.499 0.000 2.469 80 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.220 80 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.220 80 G C 1.712 176.761 174.900 0.250 0.000 1.136 80 G CA 1.349 45.847 45.100 -1.003 0.000 0.759 80 G HN 0.769 nan 8.290 nan 0.000 0.562 81 S N -0.104 115.780 115.700 0.307 0.000 2.441 81 S HA 0.122 4.592 4.470 -0.001 0.000 0.224 81 S C 1.850 176.744 174.600 0.489 0.000 1.043 81 S CA 0.805 59.511 58.200 0.842 0.000 0.948 81 S CB 0.014 63.805 63.200 0.986 0.000 0.810 81 S HN 0.485 nan 8.310 nan 0.000 0.504 82 E N 1.708 122.015 120.200 0.178 0.000 2.371 82 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 82 E C 1.948 178.496 176.600 -0.086 0.000 1.012 82 E CA 0.807 57.246 56.400 0.065 0.000 0.860 82 E CB -0.358 29.355 29.700 0.022 0.000 0.811 82 E HN 0.786 nan 8.360 nan 0.000 0.502 83 M N -1.623 117.828 119.600 -0.248 0.000 2.446 83 M HA -0.076 4.404 4.480 -0.001 0.000 0.263 83 M C 1.010 176.909 176.300 -0.667 0.000 1.066 83 M CA 1.386 56.375 55.300 -0.518 0.000 1.087 83 M CB -0.436 31.738 32.600 -0.711 0.000 1.406 83 M HN 0.041 nan 8.290 nan 0.000 0.459 84 W N 0.857 122.115 121.300 -0.070 0.000 3.077 84 W HA 0.256 4.916 4.660 -0.001 0.000 0.266 84 W C 0.582 177.030 176.519 -0.118 0.000 1.300 84 W CA -0.829 56.449 57.345 -0.113 0.000 1.586 84 W CB -0.155 29.273 29.460 -0.053 0.000 1.103 84 W HN 0.108 nan 8.180 nan 0.000 0.652 85 N N 1.623 120.364 118.700 0.069 0.000 2.467 85 N HA 0.142 4.881 4.740 -0.001 0.000 0.262 85 N C -2.408 173.066 175.510 -0.061 0.000 1.234 85 N CA -1.529 51.536 53.050 0.025 0.000 0.952 85 N CB 0.007 38.512 38.487 0.030 0.000 1.158 85 N HN -0.344 nan 8.380 nan 0.000 0.463 86 P HA 0.055 nan 4.420 nan 0.000 0.265 86 P C 0.061 177.300 177.300 -0.101 0.000 1.193 86 P CA 0.067 63.103 63.100 -0.107 0.000 0.765 86 P CB 0.319 31.963 31.700 -0.093 0.000 0.823 87 N N 1.838 120.464 118.700 -0.124 0.000 2.235 87 N HA 0.085 4.824 4.740 -0.001 0.000 0.231 87 N C 0.192 175.652 175.510 -0.083 0.000 1.177 87 N CA -0.104 52.884 53.050 -0.103 0.000 0.874 87 N CB 0.466 38.880 38.487 -0.123 0.000 1.097 87 N HN 0.186 nan 8.380 nan 0.000 0.518 88 R N 0.046 120.493 120.500 -0.089 0.000 2.905 88 R HA 0.319 4.659 4.340 -0.001 0.000 0.260 88 R C -0.489 175.771 176.300 -0.067 0.000 1.086 88 R CA -0.695 55.364 56.100 -0.069 0.000 0.978 88 R CB 1.275 31.528 30.300 -0.078 0.000 1.215 88 R HN 0.213 nan 8.270 nan 0.000 0.480 89 E N 1.275 121.439 120.200 -0.060 0.000 2.415 89 E HA 0.035 4.385 4.350 -0.001 0.000 0.262 89 E C -0.395 176.164 176.600 -0.069 0.000 1.038 89 E CA 0.185 56.550 56.400 -0.059 0.000 0.921 89 E CB 0.654 30.321 29.700 -0.055 0.000 0.950 89 E HN 0.224 nan 8.360 nan 0.000 0.438 90 M N 2.354 121.913 119.600 -0.069 0.000 2.233 90 M HA 0.199 4.679 4.480 -0.001 0.000 0.355 90 M C -0.193 176.051 176.300 -0.093 0.000 1.191 90 M CA 0.050 55.300 55.300 -0.084 0.000 1.101 90 M CB 1.642 34.193 32.600 -0.082 0.000 1.592 90 M HN 0.313 nan 8.290 nan 0.000 0.461 91 S N 0.959 116.594 115.700 -0.108 0.000 2.550 91 S HA 0.274 4.744 4.470 -0.001 0.000 0.270 91 S C 0.229 174.735 174.600 -0.156 0.000 1.145 91 S CA -0.676 57.457 58.200 -0.112 0.000 0.852 91 S CB 1.554 64.714 63.200 -0.067 0.000 1.119 91 S HN 0.826 nan 8.310 nan 0.000 0.465 92 E N 0.898 120.985 120.200 -0.189 0.000 2.268 92 E HA -0.087 4.263 4.350 -0.001 0.000 0.195 92 E C -0.288 176.245 176.600 -0.112 0.000 0.995 92 E CA 0.596 56.867 56.400 -0.214 0.000 0.836 92 E CB 0.096 29.669 29.700 -0.213 0.000 0.763 92 E HN 0.529 nan 8.360 nan 0.000 0.491 93 D N 0.327 120.696 120.400 -0.052 0.000 2.453 93 D HA -0.002 4.638 4.640 -0.001 0.000 0.223 93 D C -0.000 176.381 176.300 0.135 0.000 1.183 93 D CA -0.334 53.680 54.000 0.023 0.000 0.933 93 D CB 0.059 40.892 40.800 0.055 0.000 1.038 93 D HN 0.132 nan 8.370 nan 0.000 0.513 94 c N 2.569 121.231 118.600 0.104 0.000 3.935 94 c HA 0.362 4.931 4.570 -0.001 0.000 0.301 94 c C 0.527 174.708 174.090 0.150 0.000 1.874 94 c CA -0.679 55.776 56.329 0.209 0.000 1.723 94 c CB -1.271 41.275 42.510 0.060 0.000 3.192 94 c HN 0.451 nan 8.230 nan 0.000 0.577 95 L N 2.621 123.666 121.223 -0.296 0.000 2.387 95 L HA 0.420 4.760 4.340 -0.001 0.000 0.267 95 L C -0.905 175.196 176.870 -1.282 0.000 1.197 95 L CA 0.483 54.911 54.840 -0.687 0.000 1.070 95 L CB -0.590 40.950 42.059 -0.866 0.000 1.349 95 L HN 0.375 nan 8.230 nan 0.000 0.422 96 Y N 1.838 122.001 120.300 -0.227 0.000 2.576 96 Y HA 0.648 5.197 4.550 -0.001 0.000 0.346 96 Y C -0.076 175.989 175.900 0.274 0.000 1.018 96 Y CA -1.265 56.783 58.100 -0.086 0.000 1.050 96 Y CB 1.919 40.339 38.460 -0.066 0.000 1.280 96 Y HN 0.194 nan 8.280 nan 0.000 0.474 97 L N -0.104 121.308 121.223 0.316 0.000 2.301 97 L HA 0.781 5.121 4.340 -0.001 0.000 0.264 97 L C -1.192 175.738 176.870 0.100 0.000 1.016 97 L CA -1.114 53.845 54.840 0.198 0.000 0.821 97 L CB 1.644 43.732 42.059 0.048 0.000 1.346 97 L HN 0.446 nan 8.230 nan 0.000 0.429 98 N N 1.387 120.145 118.700 0.096 0.000 2.258 98 N HA 0.697 5.436 4.740 -0.001 0.000 0.299 98 N C -1.322 174.127 175.510 -0.102 0.000 1.047 98 N CA -0.208 52.811 53.050 -0.052 0.000 0.814 98 N CB 2.662 41.116 38.487 -0.055 0.000 1.413 98 N HN 0.648 nan 8.380 nan 0.000 0.478 99 I N 0.421 120.863 120.570 -0.214 0.000 2.498 99 I HA 0.435 4.604 4.170 -0.001 0.000 0.290 99 I C -0.706 175.390 176.117 -0.035 0.000 1.032 99 I CA -0.729 60.545 61.300 -0.044 0.000 1.073 99 I CB 2.272 40.193 38.000 -0.132 0.000 1.251 99 I HN 0.219 nan 8.210 nan 0.000 0.426 100 W N 5.505 126.945 121.300 0.233 0.000 2.532 100 W HA 0.581 5.241 4.660 -0.001 0.000 0.321 100 W C -1.132 175.532 176.519 0.242 0.000 1.037 100 W CA -0.657 56.822 57.345 0.224 0.000 1.220 100 W CB 2.241 31.803 29.460 0.169 0.000 1.361 100 W HN 0.082 nan 8.180 nan 0.000 0.468 101 V N 5.123 125.314 119.914 0.462 0.000 2.444 101 V HA 0.266 4.386 4.120 -0.001 0.000 0.294 101 V C -1.934 174.356 176.094 0.328 0.000 1.022 101 V CA -2.238 60.300 62.300 0.396 0.000 0.850 101 V CB 1.890 34.008 31.823 0.492 0.000 0.992 101 V HN 0.254 nan 8.190 nan 0.000 0.426 102 P HA 0.083 nan 4.420 nan 0.000 0.270 102 P C -0.499 176.932 177.300 0.219 0.000 1.221 102 P CA 0.201 63.441 63.100 0.233 0.000 0.788 102 P CB 0.490 32.289 31.700 0.165 0.000 0.904 103 S N 0.662 116.487 115.700 0.209 0.000 2.594 103 S HA 0.589 5.058 4.470 -0.001 0.000 0.296 103 S C -2.551 172.140 174.600 0.151 0.000 1.124 103 S CA -1.401 56.905 58.200 0.176 0.000 1.011 103 S CB 0.177 63.483 63.200 0.176 0.000 1.016 103 S HN 0.235 nan 8.310 nan 0.000 0.485 104 P HA 0.300 nan 4.420 nan 0.000 0.274 104 P C -0.606 176.767 177.300 0.123 0.000 1.246 104 P CA -0.726 62.442 63.100 0.113 0.000 0.795 104 P CB 0.440 32.192 31.700 0.086 0.000 1.006 105 R N 1.473 122.052 120.500 0.131 0.000 2.504 105 R HA 0.098 4.437 4.340 -0.001 0.000 0.291 105 R C -1.885 174.482 176.300 0.112 0.000 0.974 105 R CA -0.831 55.356 56.100 0.145 0.000 1.077 105 R CB -0.501 29.885 30.300 0.143 0.000 0.926 105 R HN 0.371 nan 8.270 nan 0.000 0.407 106 P HA 0.074 nan 4.420 nan 0.000 0.272 106 P C -0.284 177.058 177.300 0.070 0.000 1.240 106 P CA -0.381 62.770 63.100 0.085 0.000 0.791 106 P CB 0.728 32.481 31.700 0.089 0.000 0.978 107 K N -0.370 120.058 120.400 0.047 0.000 2.099 107 K HA 0.118 4.438 4.320 -0.001 0.000 0.203 107 K C 0.645 177.254 176.600 0.016 0.000 1.047 107 K CA 1.049 57.354 56.287 0.030 0.000 0.963 107 K CB -0.348 32.164 32.500 0.020 0.000 0.759 107 K HN 0.371 nan 8.250 nan 0.000 0.451 108 S N 0.831 116.541 115.700 0.016 0.000 2.777 108 S HA 0.140 4.610 4.470 -0.001 0.000 0.140 108 S C -1.023 173.582 174.600 0.008 0.000 1.233 108 S CA -0.360 57.840 58.200 -0.000 0.000 1.157 108 S CB 0.224 63.413 63.200 -0.018 0.000 1.600 108 S HN 0.155 nan 8.310 nan 0.000 0.432 109 T N 1.593 116.162 114.554 0.026 0.000 2.949 109 T HA 0.575 4.925 4.350 -0.001 0.000 0.287 109 T C 0.100 174.817 174.700 0.028 0.000 1.034 109 T CA -0.056 62.061 62.100 0.029 0.000 1.018 109 T CB 1.182 70.077 68.868 0.045 0.000 1.135 109 T HN 0.413 nan 8.240 nan 0.000 0.532 110 T N 2.241 116.807 114.554 0.020 0.000 2.891 110 T HA 0.262 4.611 4.350 -0.001 0.000 0.296 110 T C -0.279 174.448 174.700 0.046 0.000 1.025 110 T CA -0.042 62.067 62.100 0.016 0.000 1.149 110 T CB -0.000 68.865 68.868 -0.004 0.000 1.007 110 T HN 0.397 nan 8.240 nan 0.000 0.528 111 V N 5.366 125.312 119.914 0.054 0.000 2.555 111 V HA 0.519 4.639 4.120 -0.001 0.000 0.302 111 V C -0.019 176.142 176.094 0.113 0.000 1.038 111 V CA -0.789 61.568 62.300 0.095 0.000 0.887 111 V CB 1.787 33.667 31.823 0.096 0.000 0.991 111 V HN 0.836 nan 8.190 nan 0.000 0.434 112 M N 4.523 124.222 119.600 0.165 0.000 2.259 112 M HA 0.597 5.077 4.480 -0.001 0.000 0.304 112 M C -1.343 175.210 176.300 0.421 0.000 1.019 112 M CA -0.677 54.760 55.300 0.228 0.000 0.922 112 M CB 2.304 34.948 32.600 0.072 0.000 1.600 112 M HN 0.343 nan 8.290 nan 0.000 0.433 113 V N 2.979 123.174 119.914 0.469 0.000 2.409 113 V HA 0.386 4.506 4.120 -0.001 0.000 0.291 113 V C -0.947 175.408 176.094 0.436 0.000 1.020 113 V CA -0.608 61.929 62.300 0.395 0.000 0.848 113 V CB 1.815 33.747 31.823 0.182 0.000 0.990 113 V HN 0.872 nan 8.190 nan 0.000 0.430 114 W N 6.963 128.333 121.300 0.117 0.000 2.417 114 W HA 0.662 5.322 4.660 -0.001 0.000 0.317 114 W C -1.417 174.986 176.519 -0.193 0.000 1.121 114 W CA -0.797 56.378 57.345 -0.282 0.000 1.208 114 W CB 1.310 30.651 29.460 -0.198 0.000 1.253 114 W HN 0.437 nan 8.180 nan 0.000 0.533 115 I N 8.918 128.810 120.570 -1.129 0.000 2.411 115 I HA 0.071 4.240 4.170 -0.001 0.000 0.284 115 I C -0.341 175.006 176.117 -1.283 0.000 1.012 115 I CA -1.140 59.592 61.300 -0.946 0.000 1.119 115 I CB 0.727 38.363 38.000 -0.606 0.000 1.261 115 I HN 0.300 nan 8.210 nan 0.000 0.448 116 Y N 4.512 124.342 120.300 -0.782 0.000 2.480 116 Y HA 0.626 5.176 4.550 -0.001 0.000 0.338 116 Y C 0.794 176.536 175.900 -0.264 0.000 1.220 116 Y CA -0.821 56.949 58.100 -0.551 0.000 1.430 116 Y CB -0.096 38.283 38.460 -0.135 0.000 1.311 116 Y HN 0.546 nan 8.280 nan 0.000 0.575 117 G N -0.236 108.578 108.800 0.024 0.000 2.509 117 G HA2 0.470 4.429 3.960 -0.001 0.000 0.269 117 G HA3 0.470 4.429 3.960 -0.001 0.000 0.269 117 G C 0.391 175.253 174.900 -0.064 0.000 1.416 117 G CA -0.847 44.210 45.100 -0.071 0.000 1.052 117 G HN 1.783 nan 8.290 nan 0.000 0.542 118 G N -2.929 105.674 108.800 -0.328 0.000 2.165 118 G HA2 0.388 4.347 3.960 -0.001 0.000 0.144 118 G HA3 0.388 4.347 3.960 -0.001 0.000 0.144 118 G C 1.116 175.453 174.900 -0.939 0.000 1.049 118 G CA 0.685 45.439 45.100 -0.576 0.000 0.741 118 G HN 2.312 nan 8.290 nan 0.000 0.493 119 G N -0.566 107.710 108.800 -0.874 0.000 2.212 119 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.267 119 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.267 119 G C 0.977 175.597 174.900 -0.467 0.000 1.002 119 G CA 1.027 45.425 45.100 -1.171 0.000 0.729 119 G HN 1.800 nan 8.290 nan 0.000 0.517 120 F N -3.657 116.173 119.950 -0.200 0.000 2.748 120 F HA -0.317 4.210 4.527 -0.001 0.000 0.370 120 F C 1.502 177.363 175.800 0.101 0.000 0.620 120 F CA 2.086 60.086 58.000 -0.001 0.000 1.233 120 F CB -2.062 36.800 39.000 -0.230 0.000 1.708 120 F HN 0.833 nan 8.300 nan 0.000 0.298 121 Y N -0.627 119.709 120.300 0.060 0.000 2.444 121 Y HA 0.657 5.207 4.550 -0.001 0.000 0.249 121 Y C 0.692 176.670 175.900 0.129 0.000 1.134 121 Y CA 0.263 58.424 58.100 0.100 0.000 1.261 121 Y CB -0.017 38.405 38.460 -0.065 0.000 1.143 121 Y HN 0.110 nan 8.280 nan 0.000 0.523 122 S N -1.013 114.456 115.700 -0.385 0.000 2.727 122 S HA 0.864 5.334 4.470 -0.001 0.000 0.278 122 S C -0.263 174.165 174.600 -0.288 0.000 1.186 122 S CA -0.499 57.532 58.200 -0.283 0.000 0.836 122 S CB 1.393 64.365 63.200 -0.380 0.000 1.186 122 S HN 1.287 nan 8.310 nan 0.000 0.499 123 G N -0.337 108.264 108.800 -0.332 0.000 2.402 123 G HA2 0.425 4.385 3.960 -0.001 0.000 0.666 123 G HA3 0.425 4.385 3.960 -0.001 0.000 0.666 123 G C -1.085 173.185 174.900 -1.050 0.000 1.402 123 G CA -0.332 44.405 45.100 -0.605 0.000 0.920 123 G HN 1.387 nan 8.290 nan 0.000 0.651 124 S N -0.719 114.381 115.700 -1.000 0.000 2.540 124 S HA 0.663 5.132 4.470 -0.001 0.000 0.275 124 S C 0.987 175.417 174.600 -0.284 0.000 1.123 124 S CA 0.046 57.848 58.200 -0.663 0.000 0.907 124 S CB 1.829 64.844 63.200 -0.309 0.000 1.081 124 S HN 1.908 nan 8.310 nan 0.000 0.476 125 S N 0.059 115.773 115.700 0.022 0.000 2.561 125 S HA -0.058 4.412 4.470 -0.001 0.000 0.225 125 S C 1.283 175.985 174.600 0.170 0.000 0.977 125 S CA 0.883 59.298 58.200 0.358 0.000 0.926 125 S CB -0.634 62.800 63.200 0.389 0.000 0.769 125 S HN 0.848 nan 8.310 nan 0.000 0.533 126 T N -0.475 113.993 114.554 -0.143 0.000 3.092 126 T HA 0.427 4.776 4.350 -0.001 0.000 0.258 126 T C 0.443 174.907 174.700 -0.393 0.000 1.031 126 T CA -0.593 61.156 62.100 -0.584 0.000 0.925 126 T CB -0.485 67.846 68.868 -0.894 0.000 1.036 126 T HN 0.289 nan 8.240 nan 0.000 0.544 127 L N 2.122 123.179 121.223 -0.278 0.000 2.499 127 L HA 0.126 4.465 4.340 -0.001 0.000 0.281 127 L C 1.357 177.998 176.870 -0.382 0.000 1.234 127 L CA -0.407 54.176 54.840 -0.428 0.000 0.839 127 L CB 0.344 41.927 42.059 -0.792 0.000 1.104 127 L HN 0.101 nan 8.230 nan 0.000 0.500 128 D N 1.098 121.294 120.400 -0.340 0.000 2.149 128 D HA -0.142 4.498 4.640 -0.001 0.000 0.198 128 D C 1.955 178.050 176.300 -0.342 0.000 0.990 128 D CA 1.403 55.257 54.000 -0.243 0.000 0.839 128 D CB -0.081 40.600 40.800 -0.199 0.000 0.948 128 D HN 0.534 nan 8.370 nan 0.000 0.460 129 V N -1.306 118.255 119.914 -0.589 0.000 3.241 129 V HA -0.146 3.973 4.120 -0.001 0.000 0.269 129 V C 1.060 176.703 176.094 -0.751 0.000 1.151 129 V CA 0.990 62.921 62.300 -0.614 0.000 1.158 129 V CB -1.172 30.215 31.823 -0.726 0.000 0.764 129 V HN 0.058 nan 8.190 nan 0.000 0.508 130 Y N -0.146 119.736 120.300 -0.696 0.000 2.555 130 Y HA 0.439 4.989 4.550 -0.001 0.000 0.259 130 Y C 1.073 176.571 175.900 -0.671 0.000 1.179 130 Y CA -1.843 55.552 58.100 -1.174 0.000 1.230 130 Y CB -0.872 37.172 38.460 -0.693 0.000 1.146 130 Y HN 0.244 nan 8.280 nan 0.000 0.526 131 N N 1.513 120.073 118.700 -0.233 0.000 2.429 131 N HA -0.033 4.706 4.740 -0.001 0.000 0.271 131 N C 1.352 176.562 175.510 -0.499 0.000 1.272 131 N CA 0.675 53.589 53.050 -0.226 0.000 0.921 131 N CB 1.186 39.623 38.487 -0.083 0.000 1.128 131 N HN 0.510 nan 8.380 nan 0.000 0.481 132 G N 3.419 111.307 108.800 -1.520 0.000 2.744 132 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.211 132 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.211 132 G C 1.451 175.759 174.900 -0.987 0.000 1.143 132 G CA 0.430 44.815 45.100 -1.191 0.000 0.788 132 G HN 0.744 nan 8.290 nan 0.000 0.534 133 K N -0.307 119.379 120.400 -1.190 0.000 2.057 133 K HA -0.118 4.202 4.320 -0.001 0.000 0.206 133 K C 1.822 178.211 176.600 -0.353 0.000 1.050 133 K CA 1.068 56.958 56.287 -0.662 0.000 0.935 133 K CB -0.603 31.562 32.500 -0.558 0.000 0.715 133 K HN 0.378 nan 8.250 nan 0.000 0.439 134 Y N 1.038 121.266 120.300 -0.120 0.000 2.224 134 Y HA -0.160 4.390 4.550 -0.001 0.000 0.289 134 Y C 2.381 178.281 175.900 0.000 0.000 1.146 134 Y CA 0.615 58.702 58.100 -0.022 0.000 1.182 134 Y CB -0.231 38.192 38.460 -0.063 0.000 0.983 134 Y HN 0.055 nan 8.280 nan 0.000 0.524 135 L N -0.009 121.244 121.223 0.050 0.000 2.127 135 L HA 0.102 4.442 4.340 -0.001 0.000 0.203 135 L C 2.375 179.257 176.870 0.020 0.000 1.080 135 L CA 1.613 56.443 54.840 -0.017 0.000 0.768 135 L CB -1.095 40.867 42.059 -0.162 0.000 0.924 135 L HN 0.099 nan 8.230 nan 0.000 0.444 136 A N -0.961 121.882 122.820 0.039 0.000 1.883 136 A HA -0.325 3.995 4.320 -0.001 0.000 0.217 136 A C 2.343 180.006 177.584 0.131 0.000 1.186 136 A CA 2.168 54.277 52.037 0.121 0.000 0.624 136 A CB -1.287 17.843 19.000 0.216 0.000 0.822 136 A HN 0.640 nan 8.150 nan 0.000 0.444 137 Y N 0.852 121.171 120.300 0.032 0.000 2.163 137 Y HA -0.163 4.387 4.550 -0.001 0.000 0.288 137 Y C 2.652 178.577 175.900 0.041 0.000 1.136 137 Y CA 2.365 60.490 58.100 0.041 0.000 1.147 137 Y CB -0.414 38.056 38.460 0.018 0.000 0.987 137 Y HN 0.300 nan 8.280 nan 0.000 0.509 138 T N 0.178 114.695 114.554 -0.061 0.000 2.857 138 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 138 T C 1.216 175.837 174.700 -0.132 0.000 1.048 138 T CA 1.527 63.533 62.100 -0.157 0.000 1.139 138 T CB -0.064 68.808 68.868 0.006 0.000 0.874 138 T HN 0.338 nan 8.240 nan 0.000 0.455 139 E N 0.376 120.547 120.200 -0.048 0.000 2.498 139 E HA 0.153 4.503 4.350 -0.001 0.000 0.203 139 E C 0.119 176.720 176.600 0.001 0.000 1.013 139 E CA 0.004 56.408 56.400 0.007 0.000 0.927 139 E CB 0.317 30.044 29.700 0.046 0.000 1.012 139 E HN 0.516 nan 8.360 nan 0.000 0.482 140 E N 0.170 120.355 120.200 -0.025 0.000 2.416 140 E HA -0.165 4.185 4.350 -0.001 0.000 0.249 140 E C -0.352 176.276 176.600 0.047 0.000 1.124 140 E CA 0.501 56.906 56.400 0.008 0.000 0.732 140 E CB -1.351 28.347 29.700 -0.005 0.000 1.286 140 E HN 0.159 nan 8.360 nan 0.000 0.394 141 V N -3.382 116.571 119.914 0.065 0.000 2.769 141 V HA 0.702 4.821 4.120 -0.001 0.000 0.312 141 V C 0.535 176.713 176.094 0.139 0.000 1.058 141 V CA -0.984 61.366 62.300 0.083 0.000 0.952 141 V CB 2.143 34.001 31.823 0.057 0.000 1.019 141 V HN -0.053 nan 8.190 nan 0.000 0.445 142 V N 4.278 124.283 119.914 0.153 0.000 2.488 142 V HA 0.359 4.479 4.120 -0.001 0.000 0.277 142 V C 0.001 176.237 176.094 0.236 0.000 1.046 142 V CA -0.019 62.406 62.300 0.208 0.000 0.986 142 V CB 0.944 32.876 31.823 0.182 0.000 0.989 142 V HN 0.803 nan 8.190 nan 0.000 0.475 143 L N 6.913 128.337 121.223 0.333 0.000 2.298 143 L HA 0.642 4.982 4.340 -0.001 0.000 0.284 143 L C -0.509 176.669 176.870 0.514 0.000 1.013 143 L CA 0.010 55.094 54.840 0.407 0.000 0.824 143 L CB 1.584 43.873 42.059 0.385 0.000 1.221 143 L HN 0.451 nan 8.230 nan 0.000 0.418 144 V N 3.247 123.425 119.914 0.439 0.000 2.547 144 V HA 0.692 4.812 4.120 -0.001 0.000 0.299 144 V C -0.147 176.236 176.094 0.480 0.000 1.040 144 V CA -0.472 62.057 62.300 0.382 0.000 0.913 144 V CB 1.874 33.836 31.823 0.230 0.000 0.992 144 V HN 0.854 nan 8.190 nan 0.000 0.449 145 S N 4.475 120.463 115.700 0.479 0.000 2.521 145 S HA 0.860 5.329 4.470 -0.001 0.000 0.295 145 S C -0.813 173.967 174.600 0.299 0.000 1.098 145 S CA -0.797 57.686 58.200 0.470 0.000 0.999 145 S CB 1.760 65.351 63.200 0.651 0.000 1.034 145 S HN 0.682 nan 8.310 nan 0.000 0.483 146 L N 0.460 121.794 121.223 0.185 0.000 2.421 146 L HA 1.010 5.350 4.340 -0.001 0.000 0.267 146 L C 0.169 177.169 176.870 0.217 0.000 1.036 146 L CA -0.708 54.196 54.840 0.107 0.000 0.829 146 L CB 0.265 42.251 42.059 -0.122 0.000 1.437 146 L HN 0.941 nan 8.230 nan 0.000 0.488 147 S N -1.788 114.095 115.700 0.304 0.000 2.720 147 S HA 0.919 5.388 4.470 -0.001 0.000 0.287 147 S C -1.314 173.521 174.600 0.391 0.000 1.168 147 S CA -0.374 58.036 58.200 0.351 0.000 0.832 147 S CB 1.574 65.033 63.200 0.432 0.000 1.166 147 S HN 1.362 nan 8.310 nan 0.000 0.493 148 Y N -2.075 118.344 120.300 0.199 0.000 2.620 148 Y HA 0.647 5.197 4.550 -0.001 0.000 0.331 148 Y C -0.969 175.062 175.900 0.218 0.000 1.173 148 Y CA -1.347 56.854 58.100 0.169 0.000 1.076 148 Y CB 0.532 39.032 38.460 0.067 0.000 1.336 148 Y HN 0.795 nan 8.280 nan 0.000 0.459 149 R N 1.938 122.571 120.500 0.221 0.000 2.537 149 R HA 0.535 4.874 4.340 -0.001 0.000 0.280 149 R C -0.104 176.376 176.300 0.300 0.000 1.058 149 R CA -0.066 56.131 56.100 0.161 0.000 1.057 149 R CB 0.882 31.252 30.300 0.117 0.000 0.973 149 R HN 0.683 nan 8.270 nan 0.000 0.438 150 V N -0.220 119.893 119.914 0.332 0.000 3.181 150 V HA 0.892 5.012 4.120 -0.001 0.000 0.314 150 V C 0.738 177.169 176.094 0.561 0.000 1.173 150 V CA -0.172 62.448 62.300 0.534 0.000 1.052 150 V CB 1.115 33.131 31.823 0.321 0.000 1.123 150 V HN 0.972 nan 8.190 nan 0.000 0.454 151 G N 0.228 109.379 108.800 0.585 0.000 2.601 151 G HA2 0.031 3.991 3.960 -0.001 0.000 0.261 151 G HA3 0.031 3.991 3.960 -0.001 0.000 0.261 151 G C 1.020 176.071 174.900 0.252 0.000 1.289 151 G CA 1.006 46.387 45.100 0.468 0.000 0.920 151 G HN 2.233 nan 8.290 nan 0.000 0.571 152 A N -1.248 121.400 122.820 -0.286 0.000 1.948 152 A HA 0.136 4.456 4.320 -0.001 0.000 0.220 152 A C 2.254 179.648 177.584 -0.318 0.000 1.177 152 A CA 2.697 54.219 52.037 -0.860 0.000 0.636 152 A CB -0.564 17.774 19.000 -1.102 0.000 0.815 152 A HN 1.010 nan 8.150 nan 0.000 0.449 153 F N 0.051 120.057 119.950 0.094 0.000 2.161 153 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 153 F C 2.537 178.359 175.800 0.038 0.000 1.089 153 F CA 1.167 59.214 58.000 0.079 0.000 1.282 153 F CB -0.836 38.158 39.000 -0.010 0.000 1.010 153 F HN 0.278 nan 8.300 nan 0.000 0.485 154 G N -2.260 106.638 108.800 0.163 0.000 2.744 154 G HA2 0.022 3.982 3.960 -0.001 0.000 0.211 154 G HA3 0.022 3.982 3.960 -0.001 0.000 0.211 154 G C 0.797 175.212 174.900 -0.808 0.000 1.146 154 G CA 0.249 45.177 45.100 -0.287 0.000 0.787 154 G HN 0.363 nan 8.290 nan 0.000 0.534 155 F N -1.067 118.952 119.950 0.114 0.000 2.974 155 F HA 0.401 4.927 4.527 -0.001 0.000 0.357 155 F C 0.346 176.179 175.800 0.054 0.000 1.114 155 F CA -1.068 56.983 58.000 0.085 0.000 1.099 155 F CB 0.270 39.346 39.000 0.127 0.000 1.205 155 F HN -0.104 nan 8.300 nan 0.000 0.535 156 L N 2.230 123.427 121.223 -0.044 0.000 2.540 156 L HA 0.424 4.764 4.340 -0.001 0.000 0.276 156 L C 0.186 177.015 176.870 -0.067 0.000 1.212 156 L CA 0.317 55.031 54.840 -0.209 0.000 0.893 156 L CB 0.429 42.072 42.059 -0.693 0.000 1.138 156 L HN 0.163 nan 8.230 nan 0.000 0.491 157 A N 7.020 129.855 122.820 0.025 0.000 2.410 157 A HA 0.596 4.915 4.320 -0.001 0.000 0.289 157 A C -0.886 176.715 177.584 0.029 0.000 1.200 157 A CA -0.475 51.588 52.037 0.044 0.000 0.751 157 A CB 0.479 19.537 19.000 0.097 0.000 1.161 157 A HN 0.677 nan 8.150 nan 0.000 0.459 158 L N 3.611 124.839 121.223 0.008 0.000 2.426 158 L HA 0.265 4.604 4.340 -0.001 0.000 0.255 158 L C 0.184 177.093 176.870 0.065 0.000 1.080 158 L CA -0.714 54.138 54.840 0.020 0.000 0.960 158 L CB 0.304 42.345 42.059 -0.031 0.000 1.326 158 L HN 0.878 nan 8.230 nan 0.000 0.441 159 H N 1.905 120.977 119.070 0.002 0.000 2.972 159 H HA 0.313 4.868 4.556 -0.001 0.000 0.343 159 H C 1.187 176.522 175.328 0.011 0.000 1.054 159 H CA 1.441 57.497 56.048 0.014 0.000 1.412 159 H CB 0.980 30.753 29.762 0.019 0.000 1.385 159 H HN 0.667 nan 8.280 nan 0.000 0.600 160 G N 2.648 111.130 108.800 -0.531 0.000 2.279 160 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.223 160 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.223 160 G C 0.463 175.266 174.900 -0.162 0.000 1.015 160 G CA 0.327 45.212 45.100 -0.358 0.000 0.621 160 G HN 0.976 nan 8.290 nan 0.000 0.506 161 S N -0.046 115.596 115.700 -0.097 0.000 2.610 161 S HA 0.629 5.099 4.470 -0.001 0.000 0.273 161 S C 0.967 175.550 174.600 -0.029 0.000 1.274 161 S CA 0.295 58.468 58.200 -0.044 0.000 1.023 161 S CB 1.634 64.821 63.200 -0.022 0.000 0.962 161 S HN 0.206 nan 8.310 nan 0.000 0.523 162 Q N 0.929 120.725 119.800 -0.008 0.000 2.281 162 Q HA 0.206 4.546 4.340 -0.001 0.000 0.215 162 Q C 0.921 176.939 176.000 0.030 0.000 0.867 162 Q CA 0.164 55.971 55.803 0.007 0.000 0.940 162 Q CB 0.310 29.051 28.738 0.005 0.000 1.111 162 Q HN 0.715 nan 8.270 nan 0.000 0.513 163 E N 0.512 120.735 120.200 0.037 0.000 2.230 163 E HA 0.096 4.445 4.350 -0.001 0.000 0.192 163 E C 0.144 176.804 176.600 0.100 0.000 0.987 163 E CA 0.392 56.833 56.400 0.069 0.000 0.841 163 E CB 0.607 30.353 29.700 0.077 0.000 0.783 163 E HN 0.113 nan 8.360 nan 0.000 0.481 164 A N 1.604 124.458 122.820 0.056 0.000 3.156 164 A HA 0.328 4.648 4.320 -0.001 0.000 0.311 164 A C -2.194 175.398 177.584 0.013 0.000 1.129 164 A CA -0.932 51.126 52.037 0.034 0.000 0.809 164 A CB 0.781 19.721 19.000 -0.100 0.000 1.257 164 A HN -0.134 nan 8.150 nan 0.000 0.491 165 P HA 0.195 nan 4.420 nan 0.000 0.231 165 P C 0.892 178.243 177.300 0.086 0.000 1.168 165 P CA 1.609 64.746 63.100 0.061 0.000 0.779 165 P CB 0.298 32.037 31.700 0.064 0.000 0.844 166 G N 0.568 109.400 108.800 0.053 0.000 2.662 166 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.686 166 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.686 166 G C -0.092 174.823 174.900 0.024 0.000 1.271 166 G CA -0.262 44.876 45.100 0.063 0.000 0.816 166 G HN 0.078 nan 8.290 nan 0.000 0.608 167 N N -2.550 116.165 118.700 0.025 0.000 2.900 167 N HA -0.289 4.450 4.740 -0.001 0.000 0.240 167 N C 1.984 177.339 175.510 -0.259 0.000 0.953 167 N CA 2.677 55.675 53.050 -0.088 0.000 0.950 167 N CB -1.659 36.740 38.487 -0.148 0.000 1.102 167 N HN 1.921 nan 8.380 nan 0.000 0.593 168 V N -2.542 117.208 119.914 -0.273 0.000 2.490 168 V HA -0.019 4.101 4.120 -0.001 0.000 0.250 168 V C 2.363 178.327 176.094 -0.217 0.000 1.061 168 V CA 2.407 64.605 62.300 -0.170 0.000 1.064 168 V CB -1.090 30.683 31.823 -0.082 0.000 0.670 168 V HN 0.284 nan 8.190 nan 0.000 0.461 169 G N 0.668 109.134 108.800 -0.558 0.000 2.442 169 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.219 169 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.219 169 G C 1.556 176.433 174.900 -0.038 0.000 1.141 169 G CA 1.380 46.281 45.100 -0.332 0.000 0.763 169 G HN 0.560 nan 8.290 nan 0.000 0.554 170 L N -0.288 120.865 121.223 -0.116 0.000 2.109 170 L HA 0.095 4.434 4.340 -0.001 0.000 0.207 170 L C 2.812 179.746 176.870 0.107 0.000 1.086 170 L CA 0.303 55.087 54.840 -0.093 0.000 0.760 170 L CB -0.296 41.408 42.059 -0.592 0.000 0.910 170 L HN 0.166 nan 8.230 nan 0.000 0.437 171 L N -0.513 120.758 121.223 0.081 0.000 2.141 171 L HA -0.192 4.148 4.340 -0.001 0.000 0.209 171 L C 2.181 179.144 176.870 0.155 0.000 1.094 171 L CA 0.793 55.739 54.840 0.175 0.000 0.763 171 L CB -0.604 41.534 42.059 0.131 0.000 0.908 171 L HN 0.269 nan 8.230 nan 0.000 0.437 172 D N 0.072 120.559 120.400 0.145 0.000 2.104 172 D HA -0.228 4.412 4.640 -0.001 0.000 0.194 172 D C 2.259 178.640 176.300 0.135 0.000 0.994 172 D CA 1.323 55.471 54.000 0.246 0.000 0.830 172 D CB -0.224 40.764 40.800 0.312 0.000 0.959 172 D HN 0.429 nan 8.370 nan 0.000 0.452 173 Q N -0.030 119.813 119.800 0.071 0.000 2.119 173 Q HA -0.095 4.245 4.340 -0.001 0.000 0.201 173 Q C 2.269 178.181 176.000 -0.147 0.000 0.972 173 Q CA 0.909 56.665 55.803 -0.079 0.000 0.847 173 Q CB -0.067 28.631 28.738 -0.067 0.000 0.903 173 Q HN 0.220 nan 8.270 nan 0.000 0.433 174 R N 0.572 121.078 120.500 0.009 0.000 2.115 174 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 174 R C 2.084 178.367 176.300 -0.029 0.000 1.111 174 R CA 1.152 57.235 56.100 -0.028 0.000 0.976 174 R CB -0.086 30.303 30.300 0.148 0.000 0.870 174 R HN 0.260 nan 8.270 nan 0.000 0.445 175 M N 0.213 119.824 119.600 0.018 0.000 2.132 175 M HA -0.056 4.423 4.480 -0.001 0.000 0.263 175 M C 2.204 178.452 176.300 -0.087 0.000 1.065 175 M CA 1.838 57.177 55.300 0.066 0.000 1.122 175 M CB -0.032 32.707 32.600 0.232 0.000 1.365 175 M HN 0.317 nan 8.290 nan 0.000 0.411 176 A N 0.313 122.798 122.820 -0.558 0.000 1.908 176 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 176 A C 1.997 179.450 177.584 -0.219 0.000 1.181 176 A CA 1.607 53.138 52.037 -0.843 0.000 0.627 176 A CB -1.101 17.160 19.000 -1.232 0.000 0.818 176 A HN 0.573 nan 8.150 nan 0.000 0.445 177 L N -1.291 119.831 121.223 -0.169 0.000 2.156 177 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 177 L C 2.778 179.686 176.870 0.062 0.000 1.095 177 L CA 1.429 56.239 54.840 -0.050 0.000 0.770 177 L CB -0.407 41.580 42.059 -0.119 0.000 0.914 177 L HN 0.466 nan 8.230 nan 0.000 0.439 178 Q N -0.296 119.541 119.800 0.061 0.000 2.079 178 Q HA -0.244 4.095 4.340 -0.001 0.000 0.200 178 Q C 1.997 178.107 176.000 0.184 0.000 0.974 178 Q CA 1.868 57.737 55.803 0.109 0.000 0.840 178 Q CB -0.383 28.413 28.738 0.096 0.000 0.898 178 Q HN 0.486 nan 8.270 nan 0.000 0.430 179 W N -0.847 120.467 121.300 0.022 0.000 2.379 179 W HA -0.118 4.542 4.660 -0.001 0.000 0.307 179 W C 1.846 178.398 176.519 0.055 0.000 1.200 179 W CA 1.503 58.883 57.345 0.058 0.000 1.297 179 W CB -0.133 29.372 29.460 0.075 0.000 1.140 179 W HN -0.018 nan 8.180 nan 0.000 0.507 180 V N 0.098 120.235 119.914 0.371 0.000 2.287 180 V HA -0.409 3.710 4.120 -0.001 0.000 0.248 180 V C 2.511 178.637 176.094 0.052 0.000 1.053 180 V CA 2.397 64.823 62.300 0.211 0.000 1.027 180 V CB -1.412 30.519 31.823 0.179 0.000 0.646 180 V HN 0.347 nan 8.190 nan 0.000 0.447 181 H N -0.042 119.026 119.070 -0.003 0.000 2.390 181 H HA -0.194 4.362 4.556 -0.001 0.000 0.298 181 H C 1.967 177.223 175.328 -0.120 0.000 1.106 181 H CA 2.062 58.083 56.048 -0.045 0.000 1.297 181 H CB 0.088 29.837 29.762 -0.021 0.000 1.375 181 H HN 0.444 nan 8.280 nan 0.000 0.509 182 D N -0.509 119.814 120.400 -0.129 0.000 2.249 182 D HA -0.032 4.607 4.640 -0.001 0.000 0.205 182 D C 1.244 177.331 176.300 -0.356 0.000 0.962 182 D CA 0.544 54.409 54.000 -0.226 0.000 0.860 182 D CB 0.060 40.759 40.800 -0.168 0.000 0.955 182 D HN 0.449 nan 8.370 nan 0.000 0.505 183 N N -0.163 118.267 118.700 -0.451 0.000 2.166 183 N HA 0.037 4.777 4.740 -0.001 0.000 0.213 183 N C 1.403 176.804 175.510 -0.182 0.000 1.222 183 N CA -0.124 52.682 53.050 -0.408 0.000 0.900 183 N CB 1.211 39.158 38.487 -0.901 0.000 1.055 183 N HN 0.024 nan 8.380 nan 0.000 0.515 184 I N 3.012 123.491 120.570 -0.152 0.000 2.567 184 I HA -0.233 3.936 4.170 -0.001 0.000 0.257 184 I C 2.564 178.674 176.117 -0.013 0.000 1.184 184 I CA 1.251 62.574 61.300 0.039 0.000 1.451 184 I CB -0.113 37.896 38.000 0.015 0.000 1.089 184 I HN 0.175 nan 8.210 nan 0.000 0.441 185 Q N -0.660 118.947 119.800 -0.322 0.000 2.181 185 Q HA -0.241 4.098 4.340 -0.001 0.000 0.205 185 Q C 1.836 177.634 176.000 -0.337 0.000 0.980 185 Q CA 1.695 57.264 55.803 -0.390 0.000 0.862 185 Q CB -0.889 27.483 28.738 -0.611 0.000 0.905 185 Q HN 0.410 nan 8.270 nan 0.000 0.429 186 F N -0.104 119.815 119.950 -0.051 0.000 2.502 186 F HA 0.077 4.603 4.527 -0.001 0.000 0.298 186 F C 0.972 176.575 175.800 -0.329 0.000 1.111 186 F CA 0.260 58.125 58.000 -0.226 0.000 1.445 186 F CB -0.169 38.609 39.000 -0.370 0.000 1.081 186 F HN 0.001 nan 8.300 nan 0.000 0.558 187 F N -0.636 119.324 119.950 0.016 0.000 2.664 187 F HA 0.427 4.953 4.527 -0.001 0.000 0.303 187 F C 1.795 177.618 175.800 0.038 0.000 1.092 187 F CA 0.257 58.256 58.000 -0.003 0.000 1.305 187 F CB -0.063 38.909 39.000 -0.046 0.000 1.054 187 F HN 0.039 nan 8.300 nan 0.000 0.565 188 G N 0.184 109.070 108.800 0.143 0.000 2.176 188 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.253 188 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.253 188 G C 0.675 175.622 174.900 0.078 0.000 0.979 188 G CA -0.236 44.922 45.100 0.096 0.000 0.641 188 G HN 0.725 nan 8.290 nan 0.000 0.530 189 G N -0.259 108.592 108.800 0.084 0.000 2.444 189 G HA2 0.469 4.429 3.960 -0.001 0.000 0.268 189 G HA3 0.469 4.429 3.960 -0.001 0.000 0.268 189 G C -0.520 174.372 174.900 -0.013 0.000 1.203 189 G CA 0.417 45.549 45.100 0.053 0.000 0.835 189 G HN 0.297 nan 8.290 nan 0.000 0.543 190 D N 1.861 122.253 120.400 -0.013 0.000 2.347 190 D HA 0.262 4.902 4.640 -0.001 0.000 0.235 190 D C -1.237 175.030 176.300 -0.054 0.000 1.149 190 D CA -2.432 51.540 54.000 -0.046 0.000 0.850 190 D CB 1.912 42.694 40.800 -0.030 0.000 1.061 190 D HN 0.074 nan 8.370 nan 0.000 0.487 191 P HA -0.027 nan 4.420 nan 0.000 0.241 191 P C 0.596 177.864 177.300 -0.053 0.000 1.191 191 P CA 0.318 63.338 63.100 -0.132 0.000 0.771 191 P CB 0.376 31.861 31.700 -0.358 0.000 0.929 192 K N -0.354 120.017 120.400 -0.048 0.000 2.444 192 K HA 0.148 4.468 4.320 -0.001 0.000 0.193 192 K C 0.323 176.926 176.600 0.004 0.000 1.024 192 K CA 0.474 56.758 56.287 -0.005 0.000 1.077 192 K CB -0.382 32.103 32.500 -0.025 0.000 0.833 192 K HN 0.074 nan 8.250 nan 0.000 0.517 193 T N 0.577 115.136 114.554 0.009 0.000 3.866 193 T HA 0.109 4.459 4.350 -0.001 0.000 0.241 193 T C -0.697 174.023 174.700 0.033 0.000 1.017 193 T CA -0.443 61.658 62.100 0.003 0.000 1.300 193 T CB 0.585 69.440 68.868 -0.022 0.000 0.968 193 T HN -0.054 nan 8.240 nan 0.000 0.595 194 V N 1.056 121.021 119.914 0.085 0.000 2.407 194 V HA 0.689 4.809 4.120 -0.001 0.000 0.278 194 V C -0.293 175.900 176.094 0.165 0.000 1.037 194 V CA 0.037 62.413 62.300 0.126 0.000 0.900 194 V CB 1.348 33.264 31.823 0.157 0.000 0.983 194 V HN 0.396 nan 8.190 nan 0.000 0.459 195 T N 8.795 123.429 114.554 0.133 0.000 2.767 195 T HA 0.518 4.868 4.350 -0.001 0.000 0.284 195 T C 0.066 174.884 174.700 0.197 0.000 0.973 195 T CA -0.117 62.075 62.100 0.153 0.000 0.996 195 T CB 0.668 69.584 68.868 0.080 0.000 0.927 195 T HN 0.862 nan 8.240 nan 0.000 0.456 196 I N 1.939 122.582 120.570 0.123 0.000 2.396 196 I HA 0.816 4.986 4.170 -0.001 0.000 0.292 196 I C -0.750 175.516 176.117 0.248 0.000 0.999 196 I CA -0.903 60.443 61.300 0.077 0.000 1.310 196 I CB 0.702 38.523 38.000 -0.299 0.000 1.404 196 I HN 0.495 nan 8.210 nan 0.000 0.496 197 F N 3.493 123.469 119.950 0.043 0.000 2.601 197 F HA 1.008 5.535 4.527 -0.001 0.000 0.309 197 F C -0.428 175.354 175.800 -0.030 0.000 1.089 197 F CA -1.040 57.029 58.000 0.116 0.000 0.940 197 F CB 1.428 40.617 39.000 0.315 0.000 1.273 197 F HN 0.844 nan 8.300 nan 0.000 0.450 198 G N 1.163 109.857 108.800 -0.176 0.000 2.576 198 G HA2 0.472 4.432 3.960 -0.001 0.000 0.290 198 G HA3 0.472 4.432 3.960 -0.001 0.000 0.290 198 G C -2.561 172.166 174.900 -0.287 0.000 1.442 198 G CA -0.823 43.795 45.100 -0.804 0.000 0.792 198 G HN 0.874 nan 8.290 nan 0.000 0.491 199 E N 0.351 120.348 120.200 -0.338 0.000 2.222 199 E HA 0.630 4.979 4.350 -0.001 0.000 0.267 199 E C 0.575 177.139 176.600 -0.060 0.000 0.884 199 E CA 0.313 56.719 56.400 0.009 0.000 0.764 199 E CB 2.012 31.858 29.700 0.245 0.000 1.169 199 E HN 0.851 nan 8.360 nan 0.000 0.413 200 S N 2.733 118.457 115.700 0.040 0.000 4.118 200 S HA -0.376 4.094 4.470 -0.001 0.000 0.624 200 S C 1.424 176.115 174.600 0.151 0.000 1.929 200 S CA 1.674 59.964 58.200 0.149 0.000 4.219 200 S CB -1.623 61.606 63.200 0.048 0.000 0.206 200 S HN 0.957 nan 8.310 nan 0.000 0.525 201 A N 0.956 123.756 122.820 -0.033 0.000 2.032 201 A HA 0.083 4.402 4.320 -0.001 0.000 0.221 201 A C 2.411 179.768 177.584 -0.378 0.000 1.165 201 A CA 2.625 54.447 52.037 -0.358 0.000 0.645 201 A CB -1.533 16.795 19.000 -1.121 0.000 0.807 201 A HN 1.597 nan 8.150 nan 0.000 0.453 202 G N -0.768 107.855 108.800 -0.296 0.000 2.408 202 G HA2 0.082 4.042 3.960 -0.001 0.000 0.217 202 G HA3 0.082 4.042 3.960 -0.001 0.000 0.217 202 G C 1.476 176.208 174.900 -0.279 0.000 1.150 202 G CA 1.147 46.026 45.100 -0.368 0.000 0.776 202 G HN 0.671 nan 8.290 nan 0.000 0.542 203 G N 1.077 109.776 108.800 -0.168 0.000 2.402 203 G HA2 0.088 4.048 3.960 -0.001 0.000 0.216 203 G HA3 0.088 4.048 3.960 -0.001 0.000 0.216 203 G C 2.053 176.869 174.900 -0.140 0.000 1.162 203 G CA 1.443 46.479 45.100 -0.108 0.000 0.777 203 G HN 0.591 nan 8.290 nan 0.000 0.539 204 A N 0.963 123.722 122.820 -0.101 0.000 1.908 204 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 204 A C 2.705 180.229 177.584 -0.100 0.000 1.181 204 A CA 2.338 54.287 52.037 -0.148 0.000 0.627 204 A CB -0.716 18.213 19.000 -0.118 0.000 0.818 204 A HN 0.311 nan 8.150 nan 0.000 0.445 205 S N -0.414 115.249 115.700 -0.061 0.000 2.359 205 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 205 S C 1.913 176.445 174.600 -0.114 0.000 1.035 205 S CA 1.468 59.612 58.200 -0.092 0.000 1.018 205 S CB -0.633 62.467 63.200 -0.166 0.000 0.876 205 S HN 0.357 nan 8.310 nan 0.000 0.448 206 V N 1.637 121.484 119.914 -0.111 0.000 2.252 206 V HA -0.225 3.895 4.120 -0.001 0.000 0.249 206 V C 2.599 178.640 176.094 -0.087 0.000 1.056 206 V CA 2.128 64.367 62.300 -0.102 0.000 1.022 206 V CB -1.464 30.279 31.823 -0.132 0.000 0.641 206 V HN 0.619 nan 8.190 nan 0.000 0.445 207 G N -1.497 107.197 108.800 -0.176 0.000 2.509 207 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.218 207 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.218 207 G C 1.542 176.424 174.900 -0.030 0.000 1.124 207 G CA 0.647 45.617 45.100 -0.216 0.000 0.776 207 G HN 0.462 nan 8.290 nan 0.000 0.547 208 M N -0.311 119.285 119.600 -0.007 0.000 2.319 208 M HA 0.072 4.551 4.480 -0.001 0.000 0.265 208 M C 2.142 178.532 176.300 0.151 0.000 1.068 208 M CA 0.745 56.158 55.300 0.188 0.000 1.118 208 M CB -0.070 32.659 32.600 0.214 0.000 1.395 208 M HN 0.165 nan 8.290 nan 0.000 0.435 209 H N -0.330 118.855 119.070 0.192 0.000 2.482 209 H HA 0.098 4.654 4.556 -0.001 0.000 0.286 209 H C 2.098 177.640 175.328 0.356 0.000 1.017 209 H CA 1.129 57.297 56.048 0.200 0.000 1.322 209 H CB -0.034 29.744 29.762 0.027 0.000 1.426 209 H HN 0.385 nan 8.280 nan 0.000 0.546 210 I N 0.549 121.399 120.570 0.467 0.000 2.226 210 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 210 I C 2.101 178.454 176.117 0.394 0.000 1.100 210 I CA 1.050 62.660 61.300 0.517 0.000 1.374 210 I CB -0.067 38.182 38.000 0.416 0.000 1.057 210 I HN 0.114 nan 8.210 nan 0.000 0.413 211 L N -0.622 120.799 121.223 0.329 0.000 2.131 211 L HA -0.035 4.304 4.340 -0.001 0.000 0.206 211 L C 1.522 178.499 176.870 0.179 0.000 1.087 211 L CA 0.300 55.335 54.840 0.324 0.000 0.767 211 L CB -0.289 41.992 42.059 0.370 0.000 0.917 211 L HN 0.065 nan 8.230 nan 0.000 0.441 212 S N 0.169 115.890 115.700 0.035 0.000 2.455 212 S HA 0.137 4.606 4.470 -0.001 0.000 0.278 212 S C -1.511 172.954 174.600 -0.226 0.000 1.216 212 S CA -1.424 56.598 58.200 -0.298 0.000 1.055 212 S CB 0.849 63.451 63.200 -0.997 0.000 0.939 212 S HN -0.093 nan 8.310 nan 0.000 0.494 213 P HA -0.055 nan 4.420 nan 0.000 0.216 213 P C 1.293 178.499 177.300 -0.157 0.000 1.150 213 P CA 1.165 64.187 63.100 -0.130 0.000 0.843 213 P CB -0.089 31.544 31.700 -0.111 0.000 0.787 214 G N -1.739 106.920 108.800 -0.235 0.000 2.920 214 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.208 214 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.208 214 G C 1.247 176.059 174.900 -0.146 0.000 1.159 214 G CA 0.278 45.266 45.100 -0.188 0.000 0.784 214 G HN 0.211 nan 8.290 nan 0.000 0.535 215 S N -0.453 115.178 115.700 -0.115 0.000 2.506 215 S HA 0.115 4.585 4.470 -0.001 0.000 0.219 215 S C 2.178 176.841 174.600 0.104 0.000 1.031 215 S CA -0.457 57.780 58.200 0.062 0.000 0.911 215 S CB 0.233 63.618 63.200 0.308 0.000 0.812 215 S HN 0.336 nan 8.310 nan 0.000 0.497 216 R N 1.784 122.284 120.500 0.001 0.000 2.139 216 R HA -0.096 4.244 4.340 -0.001 0.000 0.243 216 R C 0.701 176.783 176.300 -0.363 0.000 1.145 216 R CA 1.530 57.533 56.100 -0.160 0.000 0.976 216 R CB -0.300 29.932 30.300 -0.113 0.000 0.866 216 R HN 0.278 nan 8.270 nan 0.000 0.449 217 D N 0.108 120.367 120.400 -0.236 0.000 2.355 217 D HA 0.004 4.644 4.640 -0.001 0.000 0.218 217 D C 1.232 177.341 176.300 -0.319 0.000 1.004 217 D CA 0.628 54.469 54.000 -0.266 0.000 0.880 217 D CB 0.225 40.900 40.800 -0.208 0.000 0.911 217 D HN 0.233 nan 8.370 nan 0.000 0.528 218 L N -0.232 120.851 121.223 -0.233 0.000 2.592 218 L HA 0.200 4.540 4.340 -0.001 0.000 0.227 218 L C -0.028 176.915 176.870 0.122 0.000 1.127 218 L CA -0.100 54.644 54.840 -0.161 0.000 0.884 218 L CB -0.337 41.700 42.059 -0.036 0.000 1.065 218 L HN -0.074 nan 8.230 nan 0.000 0.457 219 F N -3.808 116.122 119.950 -0.034 0.000 2.713 219 F HA 0.559 5.085 4.527 -0.001 0.000 0.311 219 F C 0.386 176.204 175.800 0.030 0.000 1.141 219 F CA -1.296 56.718 58.000 0.023 0.000 0.939 219 F CB 1.254 40.266 39.000 0.020 0.000 1.325 219 F HN -0.359 nan 8.300 nan 0.000 0.453 220 R N 0.661 121.256 120.500 0.158 0.000 2.121 220 R HA 0.505 4.845 4.340 -0.001 0.000 0.206 220 R C -0.085 176.283 176.300 0.113 0.000 1.094 220 R CA 0.794 56.911 56.100 0.027 0.000 1.055 220 R CB 0.392 30.711 30.300 0.031 0.000 0.964 220 R HN 0.766 nan 8.270 nan 0.000 0.473 221 R N -1.263 119.405 120.500 0.279 0.000 2.869 221 R HA 0.747 5.087 4.340 -0.001 0.000 0.263 221 R C -1.599 174.933 176.300 0.387 0.000 1.066 221 R CA -0.715 55.533 56.100 0.247 0.000 0.960 221 R CB 2.242 32.498 30.300 -0.074 0.000 1.221 221 R HN 0.180 nan 8.270 nan 0.000 0.474 222 A N 1.295 124.344 122.820 0.382 0.000 2.520 222 A HA 0.697 5.017 4.320 -0.001 0.000 0.298 222 A C -1.244 176.474 177.584 0.224 0.000 1.051 222 A CA -0.586 51.603 52.037 0.253 0.000 0.690 222 A CB 1.300 20.412 19.000 0.186 0.000 1.281 222 A HN 0.559 nan 8.150 nan 0.000 0.402 223 I N 1.833 122.491 120.570 0.147 0.000 2.466 223 I HA 0.408 4.578 4.170 -0.001 0.000 0.289 223 I C -1.444 174.735 176.117 0.104 0.000 1.026 223 I CA -0.637 60.683 61.300 0.034 0.000 1.078 223 I CB 1.975 39.972 38.000 -0.005 0.000 1.249 223 I HN 0.464 nan 8.210 nan 0.000 0.429 224 L N 6.531 127.785 121.223 0.052 0.000 2.333 224 L HA 0.460 4.800 4.340 -0.001 0.000 0.280 224 L C -0.540 176.424 176.870 0.156 0.000 1.004 224 L CA -0.250 54.622 54.840 0.054 0.000 0.820 224 L CB 1.636 43.662 42.059 -0.054 0.000 1.247 224 L HN 0.481 nan 8.230 nan 0.000 0.416 225 Q N 1.931 121.867 119.800 0.227 0.000 2.357 225 Q HA 0.471 4.811 4.340 -0.001 0.000 0.266 225 Q C -0.096 176.032 176.000 0.213 0.000 1.021 225 Q CA -0.543 55.465 55.803 0.341 0.000 0.784 225 Q CB 1.535 30.579 28.738 0.510 0.000 1.243 225 Q HN 0.659 nan 8.270 nan 0.000 0.465 226 S N 0.913 116.724 115.700 0.184 0.000 3.614 226 S HA -0.166 4.303 4.470 -0.001 0.000 0.360 226 S C 0.019 174.761 174.600 0.237 0.000 1.023 226 S CA 0.590 58.912 58.200 0.203 0.000 1.114 226 S CB -1.132 62.195 63.200 0.212 0.000 0.907 226 S HN 0.957 nan 8.310 nan 0.000 0.470 227 G N -0.373 108.508 108.800 0.135 0.000 2.667 227 G HA2 0.689 4.649 3.960 -0.001 0.000 0.294 227 G HA3 0.689 4.649 3.960 -0.001 0.000 0.294 227 G C -0.947 173.904 174.900 -0.082 0.000 1.467 227 G CA 0.195 45.376 45.100 0.135 0.000 0.852 227 G HN 1.221 nan 8.290 nan 0.000 0.521 228 S N 0.621 116.194 115.700 -0.212 0.000 2.588 228 S HA 0.770 5.240 4.470 -0.001 0.000 0.269 228 S C -2.545 171.763 174.600 -0.487 0.000 1.157 228 S CA -0.858 57.082 58.200 -0.433 0.000 0.824 228 S CB 2.660 65.585 63.200 -0.457 0.000 1.126 228 S HN 0.380 nan 8.310 nan 0.000 0.464 229 P HA 0.015 nan 4.420 nan 0.000 0.225 229 P C 0.515 177.569 177.300 -0.409 0.000 1.156 229 P CA 0.933 63.787 63.100 -0.409 0.000 0.787 229 P CB -0.331 31.175 31.700 -0.324 0.000 0.802 230 N N -0.737 117.748 118.700 -0.358 0.000 2.370 230 N HA -0.013 4.727 4.740 -0.001 0.000 0.198 230 N C 0.119 175.381 175.510 -0.413 0.000 1.156 230 N CA -0.192 52.681 53.050 -0.295 0.000 0.839 230 N CB -1.417 37.013 38.487 -0.094 0.000 0.989 230 N HN 0.014 nan 8.380 nan 0.000 0.468 231 C N 2.571 121.504 119.300 -0.610 0.000 2.679 231 C HA 0.100 4.560 4.460 -0.001 0.000 0.417 231 C C -0.262 174.212 174.990 -0.860 0.000 1.302 231 C CA -0.880 57.633 59.018 -0.841 0.000 1.973 231 C CB 1.173 28.061 27.740 -1.419 0.000 2.715 231 C HN 0.346 nan 8.230 nan 0.000 0.628 232 P HA -0.080 nan 4.420 nan 0.000 0.223 232 P C 1.217 178.289 177.300 -0.380 0.000 1.151 232 P CA 1.625 64.422 63.100 -0.506 0.000 0.787 232 P CB -0.087 31.320 31.700 -0.488 0.000 0.788 233 W N -1.029 120.110 121.300 -0.270 0.000 3.077 233 W HA 0.530 5.190 4.660 -0.000 0.000 0.266 233 W C 1.029 177.561 176.519 0.022 0.000 1.300 233 W CA 0.385 57.648 57.345 -0.136 0.000 1.586 233 W CB -1.081 28.311 29.460 -0.114 0.000 1.103 233 W HN -0.111 nan 8.180 nan 0.000 0.652 234 A N 1.261 123.809 122.820 -0.453 0.000 2.275 234 A HA 0.272 4.592 4.320 -0.001 0.000 0.212 234 A C 0.809 178.204 177.584 -0.315 0.000 1.201 234 A CA 0.830 52.708 52.037 -0.265 0.000 0.843 234 A CB -0.544 18.036 19.000 -0.700 0.000 0.873 234 A HN 0.191 nan 8.150 nan 0.000 0.492 235 S N -1.401 114.112 115.700 -0.313 0.000 2.565 235 S HA 0.646 5.115 4.470 -0.001 0.000 0.269 235 S C -0.849 173.607 174.600 -0.240 0.000 1.153 235 S CA -0.056 57.945 58.200 -0.331 0.000 0.835 235 S CB 1.286 64.222 63.200 -0.440 0.000 1.122 235 S HN 1.292 nan 8.310 nan 0.000 0.462 236 V N -0.706 119.087 119.914 -0.202 0.000 3.130 236 V HA 0.934 5.054 4.120 -0.001 0.000 0.310 236 V C 0.275 176.287 176.094 -0.136 0.000 1.158 236 V CA -0.482 61.727 62.300 -0.151 0.000 1.029 236 V CB 1.105 32.857 31.823 -0.118 0.000 1.057 236 V HN 1.500 nan 8.190 nan 0.000 0.436 237 S N 0.775 116.407 115.700 -0.113 0.000 2.596 237 S HA 0.278 4.747 4.470 -0.001 0.000 0.260 237 S C 1.364 175.910 174.600 -0.090 0.000 1.336 237 S CA 0.055 58.193 58.200 -0.102 0.000 0.993 237 S CB 1.190 64.341 63.200 -0.082 0.000 0.923 237 S HN 2.141 nan 8.310 nan 0.000 0.567 238 V N -1.255 118.593 119.914 -0.111 0.000 2.490 238 V HA -0.003 4.116 4.120 -0.001 0.000 0.250 238 V C 2.529 178.598 176.094 -0.042 0.000 1.061 238 V CA 1.691 63.930 62.300 -0.102 0.000 1.064 238 V CB -1.991 29.685 31.823 -0.244 0.000 0.670 238 V HN 1.010 nan 8.190 nan 0.000 0.461 239 A N 0.637 123.430 122.820 -0.044 0.000 1.902 239 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 239 A C 2.212 179.774 177.584 -0.036 0.000 1.181 239 A CA 2.029 54.050 52.037 -0.026 0.000 0.623 239 A CB -0.642 18.343 19.000 -0.025 0.000 0.818 239 A HN 0.660 nan 8.150 nan 0.000 0.443 240 E N 0.093 120.261 120.200 -0.053 0.000 2.107 240 E HA 0.000 4.350 4.350 -0.001 0.000 0.191 240 E C 1.964 178.523 176.600 -0.068 0.000 0.982 240 E CA 1.466 57.823 56.400 -0.072 0.000 0.809 240 E CB -0.819 28.830 29.700 -0.085 0.000 0.756 240 E HN 0.373 nan 8.360 nan 0.000 0.459 241 G N 1.019 109.792 108.800 -0.045 0.000 2.459 241 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.217 241 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.217 241 G C 1.738 176.648 174.900 0.017 0.000 1.183 241 G CA 1.054 46.151 45.100 -0.005 0.000 0.776 241 G HN 0.367 nan 8.290 nan 0.000 0.552 242 R N 0.260 120.768 120.500 0.012 0.000 2.096 242 R HA -0.078 4.262 4.340 -0.001 0.000 0.240 242 R C 2.561 178.859 176.300 -0.003 0.000 1.139 242 R CA 1.706 57.813 56.100 0.013 0.000 0.952 242 R CB -0.427 29.886 30.300 0.021 0.000 0.854 242 R HN 0.304 nan 8.270 nan 0.000 0.436 243 R N 0.391 120.878 120.500 -0.022 0.000 2.105 243 R HA -0.126 4.213 4.340 -0.001 0.000 0.239 243 R C 2.131 178.405 176.300 -0.043 0.000 1.135 243 R CA 1.804 57.882 56.100 -0.037 0.000 0.967 243 R CB -0.054 30.211 30.300 -0.060 0.000 0.861 243 R HN 0.342 nan 8.270 nan 0.000 0.442 244 R N -0.614 119.856 120.500 -0.051 0.000 2.119 244 R HA 0.045 4.384 4.340 -0.001 0.000 0.222 244 R C 2.288 178.629 176.300 0.068 0.000 1.088 244 R CA 0.903 56.960 56.100 -0.071 0.000 0.984 244 R CB -0.138 30.020 30.300 -0.237 0.000 0.884 244 R HN 0.180 nan 8.270 nan 0.000 0.447 245 A N 0.945 123.831 122.820 0.110 0.000 1.877 245 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 245 A C 2.324 179.918 177.584 0.017 0.000 1.186 245 A CA 1.324 53.413 52.037 0.087 0.000 0.620 245 A CB -0.590 18.408 19.000 -0.003 0.000 0.822 245 A HN 0.085 nan 8.150 nan 0.000 0.443 246 V N 0.109 120.024 119.914 0.002 0.000 2.332 246 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 246 V C 2.599 178.695 176.094 0.003 0.000 1.055 246 V CA 2.497 64.794 62.300 -0.005 0.000 1.038 246 V CB -0.774 31.044 31.823 -0.008 0.000 0.651 246 V HN 0.718 nan 8.190 nan 0.000 0.450 247 E N 0.036 120.238 120.200 0.004 0.000 2.153 247 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 247 E C 1.883 178.501 176.600 0.030 0.000 0.988 247 E CA 1.082 57.484 56.400 0.003 0.000 0.811 247 E CB -0.349 29.338 29.700 -0.023 0.000 0.746 247 E HN 0.436 nan 8.360 nan 0.000 0.466 248 L N -0.161 121.102 121.223 0.066 0.000 1.994 248 L HA 0.011 4.350 4.340 -0.001 0.000 0.208 248 L C 2.232 179.124 176.870 0.036 0.000 1.071 248 L CA 2.454 57.347 54.840 0.089 0.000 0.745 248 L CB -1.185 40.959 42.059 0.142 0.000 0.892 248 L HN 0.247 nan 8.230 nan 0.000 0.431 249 G N -1.025 107.781 108.800 0.010 0.000 2.469 249 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.219 249 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.219 249 G C 1.817 176.727 174.900 0.017 0.000 1.150 249 G CA 0.904 46.007 45.100 0.006 0.000 0.763 249 G HN 0.402 nan 8.290 nan 0.000 0.561 250 R N 0.316 120.825 120.500 0.016 0.000 2.117 250 R HA -0.078 4.261 4.340 -0.001 0.000 0.243 250 R C 2.267 178.581 176.300 0.024 0.000 1.143 250 R CA 1.439 57.549 56.100 0.017 0.000 0.968 250 R CB -0.280 30.027 30.300 0.011 0.000 0.863 250 R HN 0.347 nan 8.270 nan 0.000 0.444 251 N N 0.084 118.802 118.700 0.031 0.000 2.396 251 N HA -0.102 4.638 4.740 -0.001 0.000 0.180 251 N C 0.943 176.477 175.510 0.042 0.000 1.028 251 N CA 0.846 53.920 53.050 0.039 0.000 0.893 251 N CB 0.194 38.712 38.487 0.052 0.000 0.967 251 N HN 0.274 nan 8.380 nan 0.000 0.440 252 L N 0.606 121.851 121.223 0.037 0.000 2.769 252 L HA 0.204 4.544 4.340 -0.001 0.000 0.240 252 L C -0.256 176.635 176.870 0.034 0.000 1.163 252 L CA -0.100 54.763 54.840 0.038 0.000 0.962 252 L CB 0.007 42.088 42.059 0.037 0.000 1.258 252 L HN 0.015 nan 8.230 nan 0.000 0.513 253 N N -0.839 117.880 118.700 0.031 0.000 2.758 253 N HA -0.166 4.573 4.740 -0.001 0.000 0.248 253 N C -0.185 175.344 175.510 0.031 0.000 1.076 253 N CA 0.471 53.538 53.050 0.029 0.000 0.696 253 N CB -2.002 36.503 38.487 0.030 0.000 0.979 253 N HN 0.270 nan 8.380 nan 0.000 0.550 254 c N 0.880 119.498 118.600 0.030 0.000 2.443 254 c HA 0.260 4.830 4.570 -0.001 0.000 0.369 254 c C 1.411 175.520 174.090 0.033 0.000 1.241 254 c CA -0.850 55.500 56.329 0.035 0.000 2.413 254 c CB 0.942 43.470 42.510 0.030 0.000 2.451 254 c HN 0.378 nan 8.230 nan 0.000 0.595 255 N N 1.478 120.202 118.700 0.041 0.000 2.452 255 N HA 0.123 4.863 4.740 -0.001 0.000 0.266 255 N C -0.033 175.493 175.510 0.026 0.000 1.175 255 N CA 0.272 53.342 53.050 0.033 0.000 0.945 255 N CB 0.402 38.913 38.487 0.040 0.000 1.063 255 N HN 0.592 nan 8.380 nan 0.000 0.472 256 L N 2.236 123.469 121.223 0.017 0.000 2.818 256 L HA 0.148 4.488 4.340 -0.001 0.000 0.243 256 L C 1.994 178.869 176.870 0.008 0.000 1.185 256 L CA -0.030 54.817 54.840 0.011 0.000 0.988 256 L CB -0.743 41.320 42.059 0.008 0.000 1.292 256 L HN 0.597 nan 8.230 nan 0.000 0.519 257 N N 0.497 119.202 118.700 0.009 0.000 2.409 257 N HA -0.028 4.712 4.740 -0.001 0.000 0.179 257 N C 0.876 176.389 175.510 0.004 0.000 1.032 257 N CA 1.047 54.100 53.050 0.006 0.000 0.898 257 N CB 0.216 38.706 38.487 0.005 0.000 0.971 257 N HN 0.448 nan 8.380 nan 0.000 0.441 258 S N -2.250 113.453 115.700 0.006 0.000 2.579 258 S HA 0.450 4.920 4.470 -0.001 0.000 0.272 258 S C -0.575 174.028 174.600 0.006 0.000 1.141 258 S CA -0.439 57.764 58.200 0.004 0.000 0.843 258 S CB 1.603 64.805 63.200 0.003 0.000 1.122 258 S HN 0.041 nan 8.310 nan 0.000 0.468 259 D N 1.320 121.721 120.400 0.001 0.000 2.133 259 D HA -0.122 4.518 4.640 -0.001 0.000 0.192 259 D C 1.534 177.842 176.300 0.012 0.000 1.001 259 D CA 2.082 56.080 54.000 -0.002 0.000 0.844 259 D CB -0.247 40.549 40.800 -0.007 0.000 0.944 259 D HN 0.735 nan 8.370 nan 0.000 0.447 260 E N 0.762 120.973 120.200 0.019 0.000 2.110 260 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 260 E C 1.975 178.613 176.600 0.062 0.000 0.988 260 E CA 0.720 57.143 56.400 0.039 0.000 0.804 260 E CB -0.209 29.505 29.700 0.023 0.000 0.745 260 E HN 0.352 nan 8.360 nan 0.000 0.458 261 E N 0.189 120.414 120.200 0.042 0.000 2.072 261 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 261 E C 2.070 178.722 176.600 0.087 0.000 0.985 261 E CA 0.565 57.000 56.400 0.057 0.000 0.801 261 E CB -0.267 29.450 29.700 0.029 0.000 0.750 261 E HN 0.188 nan 8.360 nan 0.000 0.452 262 L N 1.273 122.524 121.223 0.046 0.000 2.017 262 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 262 L C 2.219 179.107 176.870 0.030 0.000 1.073 262 L CA 1.452 56.306 54.840 0.024 0.000 0.745 262 L CB -0.624 41.427 42.059 -0.015 0.000 0.894 262 L HN 0.037 nan 8.230 nan 0.000 0.432 263 I N -0.946 119.646 120.570 0.037 0.000 2.179 263 I HA -0.335 3.835 4.170 -0.001 0.000 0.242 263 I C 2.635 178.840 176.117 0.147 0.000 1.088 263 I CA 1.585 62.925 61.300 0.068 0.000 1.357 263 I CB -0.736 37.313 38.000 0.083 0.000 1.051 263 I HN 0.469 nan 8.210 nan 0.000 0.409 264 H N 0.705 119.816 119.070 0.068 0.000 2.353 264 H HA -0.295 4.260 4.556 -0.001 0.000 0.298 264 H C 2.455 177.824 175.328 0.068 0.000 1.103 264 H CA 2.387 58.475 56.048 0.066 0.000 1.293 264 H CB -0.250 29.537 29.762 0.041 0.000 1.372 264 H HN 0.549 nan 8.280 nan 0.000 0.501 265 c N 0.886 119.531 118.600 0.075 0.000 2.446 265 c HA -0.049 4.520 4.570 -0.001 0.000 0.277 265 c C 3.040 177.127 174.090 -0.005 0.000 1.275 265 c CA 0.683 57.025 56.329 0.021 0.000 1.727 265 c CB -1.415 41.143 42.510 0.080 0.000 2.010 265 c HN 0.576 nan 8.230 nan 0.000 0.486 266 L N 0.213 121.468 121.223 0.054 0.000 2.201 266 L HA -0.044 4.296 4.340 -0.001 0.000 0.212 266 L C 2.945 179.920 176.870 0.175 0.000 1.105 266 L CA 1.298 56.214 54.840 0.127 0.000 0.775 266 L CB -0.628 41.502 42.059 0.119 0.000 0.913 266 L HN 0.358 nan 8.230 nan 0.000 0.440 267 R N -0.548 120.015 120.500 0.106 0.000 2.236 267 R HA -0.055 4.285 4.340 -0.001 0.000 0.208 267 R C 1.670 177.916 176.300 -0.090 0.000 1.036 267 R CA 0.371 56.457 56.100 -0.023 0.000 1.001 267 R CB 0.123 30.398 30.300 -0.042 0.000 0.896 267 R HN 0.211 nan 8.270 nan 0.000 0.464 268 E N 0.599 120.725 120.200 -0.124 0.000 2.442 268 E HA 0.017 4.366 4.350 -0.001 0.000 0.195 268 E C -0.081 176.500 176.600 -0.032 0.000 1.030 268 E CA 0.529 56.866 56.400 -0.105 0.000 0.869 268 E CB 0.289 29.901 29.700 -0.146 0.000 0.857 268 E HN 0.024 nan 8.360 nan 0.000 0.505 269 K N 1.889 122.288 120.400 -0.001 0.000 2.270 269 K HA 0.130 4.450 4.320 -0.001 0.000 0.276 269 K C 0.554 177.184 176.600 0.050 0.000 1.023 269 K CA -0.210 56.096 56.287 0.033 0.000 0.955 269 K CB 0.815 33.346 32.500 0.051 0.000 0.975 269 K HN -0.122 nan 8.250 nan 0.000 0.471 270 K N 2.939 123.372 120.400 0.054 0.000 2.414 270 K HA -0.011 4.308 4.320 -0.001 0.000 0.272 270 K C -1.692 174.985 176.600 0.128 0.000 0.993 270 K CA -1.282 55.044 56.287 0.066 0.000 0.964 270 K CB -0.146 32.384 32.500 0.051 0.000 0.925 270 K HN 0.210 nan 8.250 nan 0.000 0.487 271 P HA -0.232 nan 4.420 nan 0.000 0.216 271 P C 1.315 178.791 177.300 0.293 0.000 1.157 271 P CA 1.380 64.664 63.100 0.307 0.000 0.880 271 P CB 0.227 31.946 31.700 0.032 0.000 0.791 272 Q N 0.086 119.984 119.800 0.163 0.000 2.297 272 Q HA -0.193 4.146 4.340 -0.001 0.000 0.208 272 Q C 1.855 177.948 176.000 0.156 0.000 0.981 272 Q CA 1.603 57.499 55.803 0.154 0.000 0.876 272 Q CB -0.783 28.014 28.738 0.099 0.000 0.921 272 Q HN 0.365 nan 8.270 nan 0.000 0.446 273 E N -1.039 119.242 120.200 0.137 0.000 2.107 273 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 273 E C 1.531 178.203 176.600 0.120 0.000 0.982 273 E CA 0.854 57.322 56.400 0.114 0.000 0.809 273 E CB 0.037 29.788 29.700 0.086 0.000 0.756 273 E HN 0.247 nan 8.360 nan 0.000 0.459 274 L N 0.603 121.901 121.223 0.126 0.000 2.056 274 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 274 L C 2.171 179.119 176.870 0.130 0.000 1.078 274 L CA 1.373 56.255 54.840 0.070 0.000 0.749 274 L CB -0.409 41.607 42.059 -0.073 0.000 0.901 274 L HN 0.144 nan 8.230 nan 0.000 0.433 275 I N -0.513 120.191 120.570 0.224 0.000 2.286 275 I HA -0.273 3.897 4.170 -0.001 0.000 0.248 275 I C 1.846 178.138 176.117 0.291 0.000 1.115 275 I CA 1.007 62.480 61.300 0.289 0.000 1.392 275 I CB -0.356 37.852 38.000 0.347 0.000 1.065 275 I HN 0.231 nan 8.210 nan 0.000 0.418 276 D N 0.216 120.759 120.400 0.237 0.000 2.263 276 D HA -0.112 4.527 4.640 -0.001 0.000 0.208 276 D C 1.885 178.312 176.300 0.211 0.000 0.971 276 D CA 1.361 55.497 54.000 0.228 0.000 0.867 276 D CB 0.100 40.998 40.800 0.164 0.000 0.929 276 D HN 0.384 nan 8.370 nan 0.000 0.492 277 V N -2.685 117.335 119.914 0.176 0.000 3.477 277 V HA 0.203 4.323 4.120 -0.001 0.000 0.297 277 V C 1.764 177.946 176.094 0.147 0.000 1.433 277 V CA -0.027 62.364 62.300 0.151 0.000 1.052 277 V CB 0.326 32.215 31.823 0.110 0.000 0.895 277 V HN -0.065 nan 8.190 nan 0.000 0.438 278 E N 0.853 121.137 120.200 0.140 0.000 2.114 278 E HA -0.278 4.072 4.350 -0.001 0.000 0.199 278 E C 1.527 178.062 176.600 -0.108 0.000 1.008 278 E CA 2.640 59.081 56.400 0.068 0.000 0.810 278 E CB -0.218 29.459 29.700 -0.040 0.000 0.739 278 E HN 0.816 nan 8.360 nan 0.000 0.456 279 W N 0.686 121.982 121.300 -0.006 0.000 2.937 279 W HA 0.063 4.723 4.660 -0.001 0.000 0.245 279 W C 1.552 178.033 176.519 -0.063 0.000 1.306 279 W CA -0.114 57.180 57.345 -0.084 0.000 1.470 279 W CB 0.098 29.469 29.460 -0.148 0.000 1.132 279 W HN 0.084 nan 8.180 nan 0.000 0.675 280 N N 0.150 118.938 118.700 0.146 0.000 2.550 280 N HA -0.096 4.644 4.740 -0.001 0.000 0.186 280 N C 1.718 177.235 175.510 0.013 0.000 1.110 280 N CA 1.378 54.476 53.050 0.081 0.000 0.912 280 N CB -0.399 38.133 38.487 0.076 0.000 0.968 280 N HN 0.260 nan 8.380 nan 0.000 0.448 281 V N -2.420 117.469 119.914 -0.042 0.000 3.650 281 V HA 0.256 4.376 4.120 -0.001 0.000 0.271 281 V C 0.844 176.839 176.094 -0.165 0.000 1.281 281 V CA -0.138 62.096 62.300 -0.110 0.000 1.120 281 V CB -0.515 31.212 31.823 -0.160 0.000 0.856 281 V HN -0.029 nan 8.190 nan 0.000 0.443 282 L N 2.076 123.220 121.223 -0.132 0.000 2.506 282 L HA 0.163 4.503 4.340 -0.001 0.000 0.281 282 L C -0.541 176.209 176.870 -0.201 0.000 1.228 282 L CA -0.633 54.121 54.840 -0.142 0.000 0.850 282 L CB 0.486 42.527 42.059 -0.030 0.000 1.110 282 L HN 0.179 nan 8.230 nan 0.000 0.496 283 P HA 0.042 nan 4.420 nan 0.000 0.234 283 P C -0.335 176.579 177.300 -0.644 0.000 1.175 283 P CA 0.815 63.559 63.100 -0.594 0.000 0.801 283 P CB 0.354 31.477 31.700 -0.961 0.000 0.891 284 F N -0.163 119.785 119.950 -0.004 0.000 2.561 284 F HA 0.381 4.907 4.527 -0.001 0.000 0.321 284 F C 0.562 176.368 175.800 0.010 0.000 1.065 284 F CA -1.681 56.323 58.000 0.007 0.000 0.934 284 F CB 0.318 39.328 39.000 0.017 0.000 1.215 284 F HN -0.356 nan 8.300 nan 0.000 0.471 285 D N 1.667 122.197 120.400 0.216 0.000 2.363 285 D HA 0.340 4.980 4.640 -0.001 0.000 0.263 285 D C -0.607 175.768 176.300 0.125 0.000 1.258 285 D CA 0.577 54.652 54.000 0.125 0.000 0.907 285 D CB 0.228 41.082 40.800 0.091 0.000 1.107 285 D HN 0.625 nan 8.370 nan 0.000 0.495 286 S N 2.674 118.433 115.700 0.098 0.000 2.588 286 S HA 0.669 5.139 4.470 -0.001 0.000 0.269 286 S C -0.308 174.322 174.600 0.049 0.000 1.157 286 S CA -1.060 57.190 58.200 0.084 0.000 0.824 286 S CB 0.696 63.975 63.200 0.132 0.000 1.126 286 S HN 0.441 nan 8.310 nan 0.000 0.464 287 I N -2.286 118.311 120.570 0.044 0.000 2.910 287 I HA 0.796 4.966 4.170 -0.001 0.000 0.310 287 I C -0.209 175.930 176.117 0.036 0.000 1.043 287 I CA -1.116 60.211 61.300 0.045 0.000 1.053 287 I CB 0.915 38.960 38.000 0.075 0.000 1.242 287 I HN 0.769 nan 8.210 nan 0.000 0.452 288 F N 1.722 121.533 119.950 -0.232 0.000 3.074 288 F HA -0.176 4.351 4.527 -0.001 0.000 0.287 288 F C -0.326 174.972 175.800 -0.838 0.000 0.932 288 F CA 0.573 58.176 58.000 -0.662 0.000 0.995 288 F CB -0.678 37.885 39.000 -0.728 0.000 0.966 288 F HN 0.591 nan 8.300 nan 0.000 0.721 289 R N 0.435 120.560 120.500 -0.625 0.000 2.628 289 R HA 0.685 5.025 4.340 -0.001 0.000 0.288 289 R C -0.965 174.988 176.300 -0.579 0.000 0.980 289 R CA -0.565 55.223 56.100 -0.520 0.000 0.891 289 R CB 1.425 31.662 30.300 -0.105 0.000 1.188 289 R HN -0.008 nan 8.270 nan 0.000 0.450 290 F N -0.989 119.047 119.950 0.143 0.000 2.588 290 F HA 0.391 4.917 4.527 -0.001 0.000 0.314 290 F C 1.462 177.160 175.800 -0.169 0.000 1.069 290 F CA -0.869 57.118 58.000 -0.022 0.000 0.931 290 F CB 1.750 40.847 39.000 0.162 0.000 1.260 290 F HN 0.330 nan 8.300 nan 0.000 0.465 291 S N 0.378 115.937 115.700 -0.236 0.000 2.335 291 S HA 0.046 4.516 4.470 -0.001 0.000 0.217 291 S C -0.012 174.177 174.600 -0.685 0.000 1.032 291 S CA 1.084 58.936 58.200 -0.579 0.000 0.985 291 S CB -0.175 62.514 63.200 -0.853 0.000 0.896 291 S HN 0.337 nan 8.310 nan 0.000 0.445 292 F N 1.877 121.834 119.950 0.012 0.000 2.347 292 F HA 0.548 5.075 4.527 -0.001 0.000 0.366 292 F C -0.007 175.794 175.800 0.002 0.000 1.107 292 F CA -0.994 57.041 58.000 0.058 0.000 1.058 292 F CB 1.173 40.246 39.000 0.123 0.000 1.236 292 F HN -0.084 nan 8.300 nan 0.000 0.456 293 V N 0.972 120.863 119.914 -0.038 0.000 3.160 293 V HA 0.757 4.877 4.120 -0.001 0.000 0.310 293 V C -2.885 172.911 176.094 -0.496 0.000 1.181 293 V CA -3.320 58.654 62.300 -0.545 0.000 1.047 293 V CB 1.990 33.646 31.823 -0.279 0.000 1.068 293 V HN 0.252 nan 8.190 nan 0.000 0.441 294 P HA 0.214 nan 4.420 nan 0.000 0.267 294 P C -0.604 176.604 177.300 -0.152 0.000 1.195 294 P CA 0.338 63.259 63.100 -0.297 0.000 0.773 294 P CB 0.363 31.816 31.700 -0.410 0.000 0.837 295 V N 0.836 120.754 119.914 0.005 0.000 2.628 295 V HA 0.414 4.534 4.120 -0.001 0.000 0.306 295 V C 0.018 176.139 176.094 0.044 0.000 1.045 295 V CA -0.911 61.379 62.300 -0.017 0.000 0.905 295 V CB 1.765 33.602 31.823 0.023 0.000 0.997 295 V HN 0.223 nan 8.190 nan 0.000 0.436 296 I N 5.080 125.606 120.570 -0.072 0.000 2.357 296 I HA 0.170 4.339 4.170 -0.001 0.000 0.300 296 I C 0.816 176.940 176.117 0.012 0.000 1.159 296 I CA 0.300 61.579 61.300 -0.035 0.000 1.339 296 I CB -0.150 37.764 38.000 -0.144 0.000 1.458 296 I HN 0.962 nan 8.210 nan 0.000 0.577 297 D N 3.213 123.696 120.400 0.137 0.000 2.379 297 D HA 0.082 4.722 4.640 -0.001 0.000 0.208 297 D C 1.413 177.738 176.300 0.041 0.000 1.065 297 D CA 0.619 54.626 54.000 0.011 0.000 0.848 297 D CB 0.471 41.364 40.800 0.154 0.000 0.949 297 D HN 0.631 nan 8.370 nan 0.000 0.509 298 G N 0.463 109.328 108.800 0.109 0.000 2.184 298 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.264 298 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.264 298 G C 0.783 175.757 174.900 0.123 0.000 0.975 298 G CA 0.781 45.947 45.100 0.110 0.000 0.642 298 G HN 0.477 nan 8.290 nan 0.000 0.536 299 E N -1.638 118.649 120.200 0.146 0.000 2.941 299 E HA 0.375 4.725 4.350 -0.001 0.000 0.180 299 E C 1.759 178.385 176.600 0.044 0.000 1.130 299 E CA -0.219 56.240 56.400 0.098 0.000 1.243 299 E CB -0.058 29.714 29.700 0.121 0.000 1.582 299 E HN 0.168 nan 8.360 nan 0.000 0.499 300 F N 1.150 121.040 119.950 -0.100 0.000 2.091 300 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 300 F C 0.305 175.818 175.800 -0.479 0.000 1.103 300 F CA 1.354 59.155 58.000 -0.332 0.000 1.228 300 F CB 0.191 38.906 39.000 -0.474 0.000 0.984 300 F HN -0.111 nan 8.300 nan 0.000 0.477 301 F N 0.716 120.821 119.950 0.258 0.000 2.361 301 F HA 0.340 4.867 4.527 -0.001 0.000 0.364 301 F C -1.707 174.134 175.800 0.069 0.000 1.117 301 F CA -2.682 55.403 58.000 0.142 0.000 1.071 301 F CB 0.629 39.706 39.000 0.128 0.000 1.188 301 F HN -0.212 nan 8.300 nan 0.000 0.464 302 P HA -0.016 nan 4.420 nan 0.000 0.222 302 P C 0.383 177.741 177.300 0.098 0.000 1.153 302 P CA 1.112 64.272 63.100 0.100 0.000 0.798 302 P CB 0.261 31.990 31.700 0.049 0.000 0.796 303 T N -5.390 109.231 114.554 0.113 0.000 2.654 303 T HA 0.475 4.824 4.350 -0.001 0.000 0.289 303 T C -0.257 174.484 174.700 0.068 0.000 1.062 303 T CA -0.671 61.474 62.100 0.075 0.000 1.041 303 T CB 0.710 69.606 68.868 0.047 0.000 1.417 303 T HN -0.040 nan 8.240 nan 0.000 0.510 304 S N 0.150 115.865 115.700 0.024 0.000 2.563 304 S HA 0.156 4.626 4.470 -0.001 0.000 0.284 304 S C 1.542 176.140 174.600 -0.003 0.000 1.331 304 S CA -0.697 57.494 58.200 -0.016 0.000 1.047 304 S CB -0.381 62.805 63.200 -0.023 0.000 0.859 304 S HN 0.662 nan 8.310 nan 0.000 0.514 305 L N 0.622 121.806 121.223 -0.066 0.000 2.042 305 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 305 L C 2.916 179.818 176.870 0.053 0.000 1.076 305 L CA 2.027 56.848 54.840 -0.032 0.000 0.749 305 L CB -0.801 41.175 42.059 -0.138 0.000 0.893 305 L HN 0.821 nan 8.230 nan 0.000 0.432 306 E N 0.641 120.866 120.200 0.043 0.000 2.077 306 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 306 E C 2.264 178.924 176.600 0.100 0.000 0.989 306 E CA 1.681 58.140 56.400 0.098 0.000 0.800 306 E CB -0.048 29.700 29.700 0.080 0.000 0.746 306 E HN 0.485 nan 8.360 nan 0.000 0.452 307 S N -0.371 115.370 115.700 0.069 0.000 2.383 307 S HA -0.173 4.297 4.470 -0.001 0.000 0.227 307 S C 2.126 176.771 174.600 0.076 0.000 1.026 307 S CA 1.255 59.493 58.200 0.064 0.000 0.981 307 S CB -0.411 62.813 63.200 0.041 0.000 0.818 307 S HN 0.266 nan 8.310 nan 0.000 0.472 308 M N 1.120 120.778 119.600 0.098 0.000 2.080 308 M HA -0.035 4.445 4.480 -0.001 0.000 0.260 308 M C 2.306 178.741 176.300 0.225 0.000 1.068 308 M CA 1.591 56.975 55.300 0.140 0.000 1.109 308 M CB -0.778 31.938 32.600 0.193 0.000 1.342 308 M HN 0.299 nan 8.290 nan 0.000 0.405 309 L N -0.207 121.158 121.223 0.236 0.000 2.083 309 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 309 L C 2.373 179.410 176.870 0.279 0.000 1.083 309 L CA 1.042 56.057 54.840 0.292 0.000 0.752 309 L CB -0.732 41.427 42.059 0.167 0.000 0.899 309 L HN 0.442 nan 8.230 nan 0.000 0.433 310 N N -0.458 118.347 118.700 0.175 0.000 2.270 310 N HA -0.118 4.622 4.740 -0.001 0.000 0.181 310 N C 1.772 177.367 175.510 0.142 0.000 1.016 310 N CA 1.581 54.731 53.050 0.166 0.000 0.870 310 N CB 0.196 38.755 38.487 0.121 0.000 0.979 310 N HN 0.313 nan 8.380 nan 0.000 0.431 311 S N -1.044 114.659 115.700 0.006 0.000 2.556 311 S HA 0.245 4.714 4.470 -0.001 0.000 0.216 311 S C 1.159 175.414 174.600 -0.574 0.000 0.970 311 S CA 0.403 58.525 58.200 -0.130 0.000 0.912 311 S CB 0.424 63.571 63.200 -0.089 0.000 0.790 311 S HN 0.331 nan 8.310 nan 0.000 0.504 312 G N 2.003 110.256 108.800 -0.913 0.000 2.176 312 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.252 312 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.252 312 G C -0.080 173.964 174.900 -1.426 0.000 1.024 312 G CA 0.075 43.930 45.100 -2.075 0.000 0.755 312 G HN 0.629 nan 8.290 nan 0.000 0.507 313 N N 0.585 118.891 118.700 -0.656 0.000 2.807 313 N HA 0.539 5.278 4.740 -0.001 0.000 0.259 313 N C -0.180 175.287 175.510 -0.071 0.000 1.149 313 N CA -0.192 52.656 53.050 -0.336 0.000 1.042 313 N CB -0.779 37.636 38.487 -0.120 0.000 1.367 313 N HN 0.808 nan 8.380 nan 0.000 0.516 314 F N -0.792 119.099 119.950 -0.098 0.000 2.829 314 F HA 0.340 4.867 4.527 -0.000 0.000 0.319 314 F C -0.604 175.209 175.800 0.022 0.000 1.153 314 F CA -1.355 56.656 58.000 0.019 0.000 0.912 314 F CB 0.555 39.635 39.000 0.134 0.000 1.292 314 F HN -0.102 nan 8.300 nan 0.000 0.447 315 K N 1.697 122.343 120.400 0.411 0.000 2.447 315 K HA 0.177 4.497 4.320 -0.001 0.000 0.281 315 K C -0.894 175.960 176.600 0.423 0.000 1.031 315 K CA -0.235 56.208 56.287 0.260 0.000 1.019 315 K CB 0.499 33.097 32.500 0.164 0.000 0.918 315 K HN 0.589 nan 8.250 nan 0.000 0.476 316 K N 2.849 123.366 120.400 0.196 0.000 2.273 316 K HA 0.155 4.475 4.320 -0.001 0.000 0.287 316 K C -0.051 176.677 176.600 0.213 0.000 1.089 316 K CA -0.092 56.309 56.287 0.189 0.000 0.909 316 K CB 1.423 33.945 32.500 0.037 0.000 1.123 316 K HN 0.684 nan 8.250 nan 0.000 0.473 317 T N 1.165 115.934 114.554 0.360 0.000 2.606 317 T HA 0.355 4.705 4.350 -0.001 0.000 0.289 317 T C -1.307 173.595 174.700 0.336 0.000 1.113 317 T CA -0.623 61.630 62.100 0.254 0.000 1.106 317 T CB 0.508 69.492 68.868 0.194 0.000 1.611 317 T HN 0.359 nan 8.240 nan 0.000 0.471 318 Q N 0.939 120.903 119.800 0.273 0.000 2.214 318 Q HA 0.766 5.106 4.340 -0.001 0.000 0.251 318 Q C -0.409 175.859 176.000 0.447 0.000 0.936 318 Q CA -0.504 55.516 55.803 0.361 0.000 0.894 318 Q CB 1.464 30.416 28.738 0.356 0.000 1.252 318 Q HN 0.683 nan 8.270 nan 0.000 0.448 319 I N -1.549 119.221 120.570 0.333 0.000 2.769 319 I HA 0.679 4.848 4.170 -0.001 0.000 0.298 319 I C -1.563 174.439 176.117 -0.192 0.000 1.128 319 I CA -1.368 60.006 61.300 0.124 0.000 1.031 319 I CB 1.856 39.766 38.000 -0.151 0.000 1.235 319 I HN 0.545 nan 8.210 nan 0.000 0.423 320 L N 6.946 127.839 121.223 -0.550 0.000 2.381 320 L HA 0.815 5.155 4.340 -0.001 0.000 0.274 320 L C -1.316 175.355 176.870 -0.332 0.000 0.988 320 L CA -0.535 53.873 54.840 -0.721 0.000 0.824 320 L CB 1.630 42.705 42.059 -1.640 0.000 1.263 320 L HN 0.848 nan 8.230 nan 0.000 0.410 321 L N 2.519 123.677 121.223 -0.108 0.000 2.671 321 L HA 1.091 5.431 4.340 -0.001 0.000 0.259 321 L C -0.885 175.792 176.870 -0.322 0.000 1.021 321 L CA -0.379 54.423 54.840 -0.063 0.000 0.871 321 L CB 1.859 43.871 42.059 -0.078 0.000 1.472 321 L HN 0.684 nan 8.230 nan 0.000 0.410 322 G N 0.040 108.458 108.800 -0.637 0.000 2.340 322 G HA2 0.585 4.545 3.960 -0.001 0.000 0.299 322 G HA3 0.585 4.545 3.960 -0.001 0.000 0.299 322 G C -1.578 172.967 174.900 -0.593 0.000 1.291 322 G CA 0.012 44.385 45.100 -1.212 0.000 0.841 322 G HN 1.563 nan 8.290 nan 0.000 0.500 323 V N -2.379 117.339 119.914 -0.327 0.000 3.130 323 V HA 0.840 4.959 4.120 -0.001 0.000 0.310 323 V C -0.951 175.241 176.094 0.163 0.000 1.158 323 V CA -1.449 60.882 62.300 0.050 0.000 1.029 323 V CB 1.877 33.752 31.823 0.087 0.000 1.057 323 V HN 0.689 nan 8.190 nan 0.000 0.436 324 N N 1.193 120.014 118.700 0.201 0.000 2.495 324 N HA 0.385 5.124 4.740 -0.001 0.000 0.280 324 N C 0.605 176.083 175.510 -0.052 0.000 1.168 324 N CA -0.502 52.642 53.050 0.156 0.000 0.978 324 N CB 1.513 40.191 38.487 0.318 0.000 1.191 324 N HN 0.929 nan 8.380 nan 0.000 0.497 325 K N -0.102 120.157 120.400 -0.236 0.000 2.211 325 K HA -0.050 4.269 4.320 -0.001 0.000 0.203 325 K C -0.654 176.029 176.600 0.137 0.000 1.050 325 K CA 1.147 57.367 56.287 -0.112 0.000 0.945 325 K CB 0.253 32.706 32.500 -0.077 0.000 0.732 325 K HN 0.485 nan 8.250 nan 0.000 0.451 326 D N 1.158 121.640 120.400 0.137 0.000 2.607 326 D HA 0.039 4.678 4.640 -0.001 0.000 0.318 326 D C 0.035 176.456 176.300 0.202 0.000 1.212 326 D CA -0.085 54.015 54.000 0.167 0.000 0.861 326 D CB 1.317 42.192 40.800 0.125 0.000 1.064 326 D HN 0.129 nan 8.370 nan 0.000 0.500 327 E N 0.287 120.632 120.200 0.242 0.000 2.204 327 E HA -0.092 4.258 4.350 -0.001 0.000 0.195 327 E C 1.910 178.696 176.600 0.309 0.000 0.990 327 E CA 0.500 57.094 56.400 0.324 0.000 0.821 327 E CB 0.228 30.110 29.700 0.304 0.000 0.750 327 E HN 0.410 nan 8.360 nan 0.000 0.477 328 G N 1.224 110.171 108.800 0.244 0.000 2.623 328 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.214 328 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.214 328 G C 1.725 176.787 174.900 0.269 0.000 1.138 328 G CA 0.732 45.990 45.100 0.263 0.000 0.794 328 G HN 0.349 nan 8.290 nan 0.000 0.535 329 S N 0.555 116.359 115.700 0.173 0.000 2.382 329 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 329 S C 2.049 176.619 174.600 -0.049 0.000 1.027 329 S CA 0.828 59.069 58.200 0.068 0.000 0.991 329 S CB -0.535 62.621 63.200 -0.074 0.000 0.823 329 S HN 0.132 nan 8.310 nan 0.000 0.469 330 F N 1.896 121.690 119.950 -0.260 0.000 2.126 330 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 330 F C 1.716 177.207 175.800 -0.516 0.000 1.096 330 F CA 0.677 58.342 58.000 -0.559 0.000 1.255 330 F CB -0.619 37.825 39.000 -0.928 0.000 0.997 330 F HN 0.184 nan 8.300 nan 0.000 0.479 331 F N -1.123 118.827 119.950 -0.000 0.000 2.615 331 F HA 0.002 4.529 4.527 -0.001 0.000 0.297 331 F C 2.048 177.814 175.800 -0.057 0.000 1.124 331 F CA 0.495 58.435 58.000 -0.100 0.000 1.451 331 F CB -0.720 38.120 39.000 -0.266 0.000 1.103 331 F HN -0.120 nan 8.300 nan 0.000 0.569 332 L N -0.917 120.306 121.223 0.001 0.000 2.162 332 L HA -0.104 4.236 4.340 -0.001 0.000 0.205 332 L C 2.365 179.098 176.870 -0.228 0.000 1.086 332 L CA 0.321 54.949 54.840 -0.353 0.000 0.778 332 L CB -0.479 40.980 42.059 -1.001 0.000 0.928 332 L HN 0.124 nan 8.230 nan 0.000 0.446 333 L N -0.567 120.706 121.223 0.083 0.000 2.042 333 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 333 L C 0.960 177.977 176.870 0.245 0.000 1.076 333 L CA 1.808 56.845 54.840 0.328 0.000 0.749 333 L CB -0.574 41.708 42.059 0.371 0.000 0.893 333 L HN 0.116 nan 8.230 nan 0.000 0.432 334 Y N 0.197 120.540 120.300 0.072 0.000 2.930 334 Y HA 0.469 5.019 4.550 -0.001 0.000 0.386 334 Y C 1.339 177.227 175.900 -0.021 0.000 1.185 334 Y CA 0.133 58.249 58.100 0.026 0.000 1.922 334 Y CB -0.058 38.381 38.460 -0.034 0.000 2.006 334 Y HN 0.298 nan 8.280 nan 0.000 0.431 335 G N -0.799 108.055 108.800 0.091 0.000 3.768 335 G HA2 0.008 3.968 3.960 -0.001 0.000 0.214 335 G HA3 0.008 3.968 3.960 -0.001 0.000 0.214 335 G C 0.184 175.125 174.900 0.068 0.000 1.058 335 G CA -0.289 44.842 45.100 0.051 0.000 0.890 335 G HN 0.523 nan 8.290 nan 0.000 0.393 336 A N 2.825 125.696 122.820 0.084 0.000 2.440 336 A HA 0.661 4.980 4.320 -0.001 0.000 0.251 336 A C -1.846 175.891 177.584 0.254 0.000 1.089 336 A CA -0.737 51.385 52.037 0.142 0.000 0.779 336 A CB -0.036 19.024 19.000 0.100 0.000 1.022 336 A HN 0.231 nan 8.150 nan 0.000 0.492 337 P HA 0.298 nan 4.420 nan 0.000 0.271 337 P C 0.848 178.209 177.300 0.101 0.000 1.216 337 P CA 1.274 64.444 63.100 0.117 0.000 0.771 337 P CB 1.059 32.796 31.700 0.062 0.000 0.864 338 G N 1.357 110.159 108.800 0.004 0.000 2.238 338 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.217 338 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.217 338 G C -0.316 174.371 174.900 -0.354 0.000 0.996 338 G CA -0.534 44.446 45.100 -0.200 0.000 0.632 338 G HN 0.430 nan 8.290 nan 0.000 0.503 339 F N 2.115 121.997 119.950 -0.113 0.000 2.450 339 F HA 0.705 5.232 4.527 -0.001 0.000 0.332 339 F C 0.701 176.489 175.800 -0.019 0.000 1.093 339 F CA 0.081 57.972 58.000 -0.182 0.000 1.003 339 F CB 2.398 41.330 39.000 -0.115 0.000 1.151 339 F HN 0.333 nan 8.300 nan 0.000 0.474 340 S N 1.158 116.986 115.700 0.214 0.000 2.596 340 S HA 0.335 4.805 4.470 -0.001 0.000 0.270 340 S C 0.164 175.011 174.600 0.411 0.000 1.155 340 S CA -1.165 57.202 58.200 0.279 0.000 0.827 340 S CB 2.057 65.340 63.200 0.137 0.000 1.130 340 S HN 0.702 nan 8.310 nan 0.000 0.467 341 K N -0.148 120.427 120.400 0.291 0.000 2.217 341 K HA -0.037 4.283 4.320 -0.001 0.000 0.202 341 K C -0.099 176.576 176.600 0.125 0.000 1.051 341 K CA 1.512 57.892 56.287 0.155 0.000 0.952 341 K CB -0.135 32.162 32.500 -0.337 0.000 0.736 341 K HN 0.596 nan 8.250 nan 0.000 0.453 342 D N 0.271 120.724 120.400 0.089 0.000 2.395 342 D HA 0.032 4.671 4.640 -0.001 0.000 0.213 342 D C 0.026 176.374 176.300 0.080 0.000 1.110 342 D CA 0.106 54.131 54.000 0.041 0.000 0.835 342 D CB 0.863 41.651 40.800 -0.021 0.000 0.965 342 D HN 0.206 nan 8.370 nan 0.000 0.505 343 S N -1.081 114.692 115.700 0.121 0.000 2.751 343 S HA 0.376 4.845 4.470 -0.001 0.000 0.310 343 S C 0.856 175.510 174.600 0.089 0.000 1.128 343 S CA -0.704 57.533 58.200 0.063 0.000 0.931 343 S CB 2.150 65.335 63.200 -0.025 0.000 1.177 343 S HN -0.164 nan 8.310 nan 0.000 0.530 344 E N 0.414 120.610 120.200 -0.006 0.000 2.482 344 E HA 0.090 4.439 4.350 -0.001 0.000 0.196 344 E C -0.398 175.973 176.600 -0.380 0.000 1.047 344 E CA 0.312 56.694 56.400 -0.030 0.000 0.869 344 E CB -0.200 29.492 29.700 -0.014 0.000 0.836 344 E HN 0.656 nan 8.360 nan 0.000 0.520 345 S N 1.153 116.566 115.700 -0.477 0.000 3.631 345 S HA -0.178 4.291 4.470 -0.001 0.000 0.366 345 S C -0.307 173.908 174.600 -0.641 0.000 0.993 345 S CA 0.656 58.420 58.200 -0.726 0.000 1.167 345 S CB -1.121 61.248 63.200 -1.384 0.000 0.909 345 S HN 0.275 nan 8.310 nan 0.000 0.478 346 K N 0.647 120.818 120.400 -0.380 0.000 2.368 346 K HA 0.282 4.602 4.320 -0.001 0.000 0.282 346 K C 0.131 176.538 176.600 -0.322 0.000 1.035 346 K CA -0.144 55.972 56.287 -0.286 0.000 0.973 346 K CB 0.401 32.799 32.500 -0.170 0.000 0.957 346 K HN 0.146 nan 8.250 nan 0.000 0.474 347 I N 2.469 122.862 120.570 -0.294 0.000 2.404 347 I HA 0.057 4.227 4.170 -0.001 0.000 0.293 347 I C 0.709 176.749 176.117 -0.129 0.000 0.992 347 I CA -0.574 60.561 61.300 -0.275 0.000 1.149 347 I CB 1.370 39.181 38.000 -0.316 0.000 1.315 347 I HN 0.650 nan 8.210 nan 0.000 0.446 348 S N 6.368 122.010 115.700 -0.097 0.000 2.585 348 S HA 0.254 4.723 4.470 -0.001 0.000 0.273 348 S C 1.325 175.923 174.600 -0.004 0.000 1.339 348 S CA -0.445 57.722 58.200 -0.054 0.000 1.028 348 S CB 1.208 64.383 63.200 -0.042 0.000 0.906 348 S HN 0.475 nan 8.310 nan 0.000 0.528 349 R N 1.702 122.187 120.500 -0.024 0.000 2.165 349 R HA -0.164 4.176 4.340 -0.001 0.000 0.254 349 R C 2.826 179.187 176.300 0.102 0.000 1.153 349 R CA 2.357 58.460 56.100 0.004 0.000 0.971 349 R CB -1.833 28.464 30.300 -0.005 0.000 0.878 349 R HN 1.007 nan 8.270 nan 0.000 0.449 350 E N 0.843 121.082 120.200 0.066 0.000 2.047 350 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 350 E C 1.724 178.377 176.600 0.089 0.000 0.987 350 E CA 1.492 57.937 56.400 0.074 0.000 0.799 350 E CB -0.609 29.116 29.700 0.042 0.000 0.752 350 E HN 0.365 nan 8.360 nan 0.000 0.449 351 D N -0.866 119.573 120.400 0.066 0.000 2.218 351 D HA -0.066 4.574 4.640 -0.001 0.000 0.204 351 D C 1.624 177.994 176.300 0.117 0.000 0.976 351 D CA 0.888 54.923 54.000 0.060 0.000 0.853 351 D CB -0.391 40.403 40.800 -0.010 0.000 0.939 351 D HN 0.462 nan 8.370 nan 0.000 0.481 352 F N 0.626 120.574 119.950 -0.004 0.000 2.113 352 F HA -0.109 4.418 4.527 -0.001 0.000 0.297 352 F C 2.348 178.171 175.800 0.039 0.000 1.103 352 F CA 1.194 59.206 58.000 0.021 0.000 1.248 352 F CB -0.165 38.827 39.000 -0.014 0.000 0.999 352 F HN -0.162 nan 8.300 nan 0.000 0.475 353 M N -0.228 119.514 119.600 0.237 0.000 2.159 353 M HA -0.190 4.290 4.480 -0.001 0.000 0.263 353 M C 2.435 178.747 176.300 0.020 0.000 1.063 353 M CA 1.909 57.292 55.300 0.139 0.000 1.110 353 M CB -0.395 32.304 32.600 0.166 0.000 1.374 353 M HN 0.365 nan 8.290 nan 0.000 0.411 354 S N -0.309 115.410 115.700 0.032 0.000 2.414 354 S HA -0.014 4.456 4.470 -0.001 0.000 0.227 354 S C 2.051 176.643 174.600 -0.013 0.000 1.022 354 S CA 0.912 59.121 58.200 0.015 0.000 0.958 354 S CB -1.093 62.126 63.200 0.032 0.000 0.797 354 S HN 0.505 nan 8.310 nan 0.000 0.493 355 G N 1.886 110.670 108.800 -0.027 0.000 2.513 355 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.219 355 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.219 355 G C 1.600 176.412 174.900 -0.146 0.000 1.160 355 G CA 1.362 46.425 45.100 -0.062 0.000 0.767 355 G HN 0.858 nan 8.290 nan 0.000 0.571 356 V N 0.414 120.185 119.914 -0.238 0.000 2.427 356 V HA -0.020 4.099 4.120 -0.001 0.000 0.248 356 V C 2.572 178.603 176.094 -0.105 0.000 1.051 356 V CA 2.814 64.994 62.300 -0.200 0.000 1.048 356 V CB -0.350 31.346 31.823 -0.212 0.000 0.666 356 V HN 0.315 nan 8.190 nan 0.000 0.456 357 K N -0.036 120.319 120.400 -0.075 0.000 2.097 357 K HA -0.070 4.249 4.320 -0.001 0.000 0.206 357 K C 1.828 178.393 176.600 -0.057 0.000 1.049 357 K CA 1.914 58.164 56.287 -0.061 0.000 0.933 357 K CB -0.629 31.852 32.500 -0.032 0.000 0.717 357 K HN 0.465 nan 8.250 nan 0.000 0.442 358 L N 0.507 121.709 121.223 -0.036 0.000 2.109 358 L HA 0.034 4.374 4.340 -0.001 0.000 0.207 358 L C 2.021 178.884 176.870 -0.011 0.000 1.086 358 L CA 1.512 56.346 54.840 -0.009 0.000 0.760 358 L CB -0.938 41.125 42.059 0.007 0.000 0.910 358 L HN 0.122 nan 8.230 nan 0.000 0.437 359 S N -1.224 114.453 115.700 -0.038 0.000 2.402 359 S HA -0.008 4.462 4.470 -0.001 0.000 0.229 359 S C 1.034 175.601 174.600 -0.056 0.000 1.021 359 S CA 0.536 58.718 58.200 -0.031 0.000 0.974 359 S CB 0.110 63.273 63.200 -0.062 0.000 0.800 359 S HN 0.182 nan 8.310 nan 0.000 0.484 360 V N 2.798 122.642 119.914 -0.117 0.000 2.361 360 V HA 0.222 4.342 4.120 -0.001 0.000 0.252 360 V C -2.044 173.892 176.094 -0.263 0.000 0.986 360 V CA -1.358 60.802 62.300 -0.234 0.000 1.033 360 V CB 0.727 32.380 31.823 -0.283 0.000 1.282 360 V HN 0.151 nan 8.190 nan 0.000 0.514 361 P HA -0.176 nan 4.420 nan 0.000 0.219 361 P C 1.197 178.113 177.300 -0.640 0.000 1.146 361 P CA 1.467 64.399 63.100 -0.281 0.000 0.808 361 P CB -0.052 31.589 31.700 -0.098 0.000 0.779 362 H N -1.410 117.350 119.070 -0.517 0.000 2.533 362 H HA 0.490 5.046 4.556 -0.001 0.000 0.271 362 H C 0.235 175.387 175.328 -0.295 0.000 1.000 362 H CA -0.268 55.477 56.048 -0.506 0.000 1.149 362 H CB -0.508 29.122 29.762 -0.221 0.000 1.375 362 H HN -0.041 nan 8.280 nan 0.000 0.582 363 A N 2.181 124.684 122.820 -0.529 0.000 2.309 363 A HA 0.307 4.627 4.320 -0.001 0.000 0.298 363 A C 0.261 177.715 177.584 -0.217 0.000 1.165 363 A CA -0.676 51.138 52.037 -0.371 0.000 0.821 363 A CB 0.605 19.390 19.000 -0.359 0.000 1.102 363 A HN 0.628 nan 8.150 nan 0.000 0.500 364 N N 1.136 119.747 118.700 -0.148 0.000 2.317 364 N HA 0.073 4.813 4.740 -0.001 0.000 0.245 364 N C 0.373 175.840 175.510 -0.071 0.000 1.294 364 N CA 0.215 53.209 53.050 -0.092 0.000 0.924 364 N CB -0.167 38.281 38.487 -0.066 0.000 1.186 364 N HN 0.364 nan 8.380 nan 0.000 0.495 365 D N -1.141 119.235 120.400 -0.041 0.000 2.149 365 D HA -0.137 4.503 4.640 -0.001 0.000 0.198 365 D C 1.868 178.166 176.300 -0.004 0.000 0.990 365 D CA 1.099 55.089 54.000 -0.018 0.000 0.839 365 D CB -0.310 40.487 40.800 -0.005 0.000 0.948 365 D HN 0.506 nan 8.370 nan 0.000 0.460 366 L N 0.934 122.152 121.223 -0.008 0.000 2.042 366 L HA 0.022 4.362 4.340 -0.001 0.000 0.210 366 L C 2.578 179.459 176.870 0.018 0.000 1.076 366 L CA 2.272 57.118 54.840 0.010 0.000 0.749 366 L CB -1.076 40.981 42.059 -0.002 0.000 0.893 366 L HN 0.192 nan 8.230 nan 0.000 0.432 367 G N -0.583 108.202 108.800 -0.026 0.000 2.418 367 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 367 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 367 G C 1.601 176.506 174.900 0.008 0.000 1.158 367 G CA 1.049 46.126 45.100 -0.038 0.000 0.771 367 G HN 0.433 nan 8.290 nan 0.000 0.545 368 L N 0.378 121.595 121.223 -0.011 0.000 2.046 368 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 368 L C 2.543 179.463 176.870 0.082 0.000 1.077 368 L CA 1.166 56.015 54.840 0.015 0.000 0.747 368 L CB -0.387 41.668 42.059 -0.007 0.000 0.896 368 L HN 0.095 nan 8.230 nan 0.000 0.432 369 D N 0.218 120.672 120.400 0.089 0.000 2.117 369 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 369 D C 2.241 178.639 176.300 0.162 0.000 0.987 369 D CA 1.512 55.589 54.000 0.128 0.000 0.829 369 D CB -0.068 40.791 40.800 0.097 0.000 0.961 369 D HN 0.305 nan 8.370 nan 0.000 0.460 370 A N 0.527 123.454 122.820 0.177 0.000 1.908 370 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 370 A C 2.543 180.261 177.584 0.223 0.000 1.181 370 A CA 1.496 53.692 52.037 0.265 0.000 0.627 370 A CB -0.769 18.488 19.000 0.428 0.000 0.818 370 A HN 0.161 nan 8.150 nan 0.000 0.445 371 V N -0.483 119.570 119.914 0.232 0.000 2.270 371 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 371 V C 2.738 178.947 176.094 0.192 0.000 1.043 371 V CA 2.449 64.854 62.300 0.176 0.000 1.014 371 V CB -1.381 30.540 31.823 0.163 0.000 0.645 371 V HN 0.604 nan 8.190 nan 0.000 0.447 372 T N 0.874 115.565 114.554 0.228 0.000 2.635 372 T HA -0.279 4.070 4.350 -0.001 0.000 0.267 372 T C 1.922 176.800 174.700 0.297 0.000 1.040 372 T CA 2.243 64.545 62.100 0.337 0.000 1.156 372 T CB -0.497 68.573 68.868 0.338 0.000 0.863 372 T HN 0.344 nan 8.240 nan 0.000 0.430 373 L N 1.229 122.627 121.223 0.292 0.000 1.997 373 L HA -0.194 4.146 4.340 -0.001 0.000 0.216 373 L C 2.506 179.458 176.870 0.136 0.000 1.074 373 L CA 2.057 57.104 54.840 0.344 0.000 0.763 373 L CB -0.782 41.395 42.059 0.196 0.000 0.890 373 L HN 0.156 nan 8.230 nan 0.000 0.434 374 Q N -1.762 117.994 119.800 -0.074 0.000 2.291 374 Q HA -0.192 4.148 4.340 -0.001 0.000 0.206 374 Q C 1.176 176.926 176.000 -0.415 0.000 0.976 374 Q CA 1.839 57.414 55.803 -0.379 0.000 0.875 374 Q CB -0.161 28.034 28.738 -0.904 0.000 0.927 374 Q HN 0.750 nan 8.270 nan 0.000 0.450 375 Y N -1.720 118.522 120.300 -0.098 0.000 2.500 375 Y HA 0.309 4.858 4.550 -0.001 0.000 0.246 375 Y C -0.110 175.728 175.900 -0.105 0.000 1.146 375 Y CA -0.205 57.887 58.100 -0.014 0.000 1.230 375 Y CB 1.082 39.634 38.460 0.153 0.000 1.214 375 Y HN -0.184 nan 8.280 nan 0.000 0.526 376 T N 1.012 115.441 114.554 -0.207 0.000 2.799 376 T HA 0.061 4.411 4.350 -0.001 0.000 0.286 376 T C -0.627 173.695 174.700 -0.631 0.000 0.973 376 T CA -0.559 61.151 62.100 -0.650 0.000 1.035 376 T CB 0.841 68.934 68.868 -1.292 0.000 0.932 376 T HN -0.012 nan 8.240 nan 0.000 0.469 377 D N 2.045 122.154 120.400 -0.484 0.000 2.374 377 D HA 0.090 4.730 4.640 -0.001 0.000 0.240 377 D C 0.058 176.145 176.300 -0.355 0.000 1.229 377 D CA -0.654 53.160 54.000 -0.309 0.000 0.895 377 D CB 0.327 41.016 40.800 -0.186 0.000 1.046 377 D HN 0.611 nan 8.370 nan 0.000 0.498 378 W N 3.090 124.347 121.300 -0.071 0.000 2.825 378 W HA -0.022 4.637 4.660 -0.001 0.000 0.243 378 W C 1.873 178.360 176.519 -0.054 0.000 1.293 378 W CA -0.017 57.288 57.345 -0.065 0.000 1.403 378 W CB -0.188 29.238 29.460 -0.057 0.000 1.134 378 W HN 0.479 nan 8.180 nan 0.000 0.666 379 M N -0.540 119.119 119.600 0.098 0.000 2.631 379 M HA 0.331 4.810 4.480 -0.001 0.000 0.241 379 M C -0.581 175.725 176.300 0.009 0.000 1.255 379 M CA 0.863 56.198 55.300 0.058 0.000 0.983 379 M CB 0.225 32.849 32.600 0.040 0.000 1.580 379 M HN -0.183 nan 8.290 nan 0.000 0.464 380 D N 1.214 121.600 120.400 -0.023 0.000 4.610 380 D HA -0.073 4.567 4.640 -0.001 0.000 0.202 380 D C 0.119 176.340 176.300 -0.131 0.000 1.379 380 D CA 0.175 54.138 54.000 -0.062 0.000 0.941 380 D CB -0.007 40.757 40.800 -0.061 0.000 1.336 380 D HN 0.518 nan 8.370 nan 0.000 0.931 381 D N -1.037 119.284 120.400 -0.133 0.000 2.371 381 D HA -0.071 4.569 4.640 -0.001 0.000 0.221 381 D C 0.548 176.718 176.300 -0.216 0.000 0.986 381 D CA 0.212 54.055 54.000 -0.261 0.000 0.899 381 D CB 0.198 40.870 40.800 -0.213 0.000 0.902 381 D HN 0.157 nan 8.370 nan 0.000 0.530 382 N N 0.441 119.063 118.700 -0.130 0.000 2.214 382 N HA -0.004 4.735 4.740 -0.001 0.000 0.214 382 N C -0.363 175.085 175.510 -0.102 0.000 1.132 382 N CA -0.219 52.768 53.050 -0.106 0.000 0.856 382 N CB 0.185 38.635 38.487 -0.061 0.000 1.020 382 N HN 0.290 nan 8.380 nan 0.000 0.509 383 N N 0.139 118.770 118.700 -0.115 0.000 2.427 383 N HA 0.040 4.780 4.740 -0.001 0.000 0.269 383 N C 1.498 176.944 175.510 -0.106 0.000 1.235 383 N CA -0.159 52.834 53.050 -0.095 0.000 0.934 383 N CB 0.708 39.142 38.487 -0.088 0.000 1.121 383 N HN 0.084 nan 8.380 nan 0.000 0.480 384 G N 4.124 112.868 108.800 -0.093 0.000 2.432 384 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.219 384 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.219 384 G C 1.313 176.156 174.900 -0.096 0.000 1.135 384 G CA 0.474 45.510 45.100 -0.107 0.000 0.767 384 G HN 0.605 nan 8.290 nan 0.000 0.550 385 I N 0.480 121.013 120.570 -0.062 0.000 2.286 385 I HA -0.038 4.131 4.170 -0.001 0.000 0.245 385 I C 2.572 178.691 176.117 0.004 0.000 1.104 385 I CA 1.086 62.371 61.300 -0.024 0.000 1.397 385 I CB -0.822 37.177 38.000 -0.002 0.000 1.072 385 I HN 0.170 nan 8.210 nan 0.000 0.417 386 K N 0.821 121.208 120.400 -0.022 0.000 2.097 386 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 386 K C 1.898 178.492 176.600 -0.010 0.000 1.049 386 K CA 1.245 57.520 56.287 -0.020 0.000 0.933 386 K CB -0.060 32.394 32.500 -0.077 0.000 0.717 386 K HN 0.254 nan 8.250 nan 0.000 0.442 387 N N 0.605 119.268 118.700 -0.062 0.000 2.142 387 N HA -0.159 4.580 4.740 -0.001 0.000 0.186 387 N C 1.670 177.319 175.510 0.233 0.000 1.023 387 N CA 1.008 54.052 53.050 -0.010 0.000 0.852 387 N CB -0.148 38.283 38.487 -0.093 0.000 0.998 387 N HN 0.185 nan 8.380 nan 0.000 0.424 388 R N 0.924 121.482 120.500 0.098 0.000 2.073 388 R HA -0.097 4.243 4.340 -0.001 0.000 0.234 388 R C 0.767 177.240 176.300 0.289 0.000 1.134 388 R CA 1.567 57.750 56.100 0.138 0.000 0.952 388 R CB -0.054 30.215 30.300 -0.051 0.000 0.850 388 R HN 0.078 nan 8.270 nan 0.000 0.433 389 D N -0.599 119.936 120.400 0.224 0.000 2.178 389 D HA -0.064 4.575 4.640 -0.001 0.000 0.202 389 D C 1.691 178.152 176.300 0.269 0.000 0.974 389 D CA 1.400 55.547 54.000 0.245 0.000 0.841 389 D CB -0.410 40.503 40.800 0.188 0.000 0.953 389 D HN 0.513 nan 8.370 nan 0.000 0.478 390 G N 0.587 109.564 108.800 0.295 0.000 2.402 390 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 390 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 390 G C 1.527 176.606 174.900 0.298 0.000 1.162 390 G CA 0.168 45.498 45.100 0.384 0.000 0.777 390 G HN 0.182 nan 8.290 nan 0.000 0.539 391 L N 1.126 122.538 121.223 0.315 0.000 2.056 391 L HA -0.004 4.336 4.340 -0.001 0.000 0.207 391 L C 2.256 179.180 176.870 0.090 0.000 1.078 391 L CA 1.941 56.835 54.840 0.089 0.000 0.749 391 L CB -0.621 41.537 42.059 0.165 0.000 0.901 391 L HN 0.179 nan 8.230 nan 0.000 0.433 392 D N -0.480 120.043 120.400 0.204 0.000 2.104 392 D HA -0.223 4.416 4.640 -0.001 0.000 0.194 392 D C 1.637 178.026 176.300 0.147 0.000 0.994 392 D CA 1.455 55.569 54.000 0.191 0.000 0.830 392 D CB 0.036 41.005 40.800 0.282 0.000 0.959 392 D HN 0.343 nan 8.370 nan 0.000 0.452 393 D N -0.147 120.359 120.400 0.177 0.000 2.178 393 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 393 D C 2.286 178.611 176.300 0.041 0.000 0.980 393 D CA 0.303 54.423 54.000 0.200 0.000 0.842 393 D CB -0.171 40.856 40.800 0.378 0.000 0.948 393 D HN 0.377 nan 8.370 nan 0.000 0.472 394 I N 0.209 120.664 120.570 -0.192 0.000 2.226 394 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 394 I C 2.347 178.367 176.117 -0.163 0.000 1.100 394 I CA 0.591 61.686 61.300 -0.342 0.000 1.374 394 I CB 0.036 37.809 38.000 -0.379 0.000 1.057 394 I HN -0.113 nan 8.210 nan 0.000 0.413 395 V N 0.648 120.510 119.914 -0.087 0.000 2.307 395 V HA -0.181 3.938 4.120 -0.001 0.000 0.245 395 V C 2.533 178.566 176.094 -0.103 0.000 1.045 395 V CA 2.131 64.393 62.300 -0.062 0.000 1.024 395 V CB -1.361 30.481 31.823 0.032 0.000 0.651 395 V HN 0.558 nan 8.190 nan 0.000 0.449 396 G N -0.278 108.516 108.800 -0.010 0.000 2.421 396 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 396 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 396 G C 1.236 176.099 174.900 -0.063 0.000 1.171 396 G CA 1.026 46.135 45.100 0.016 0.000 0.775 396 G HN 0.493 nan 8.290 nan 0.000 0.543 397 D N -0.180 120.190 120.400 -0.050 0.000 2.097 397 D HA -0.104 4.536 4.640 -0.001 0.000 0.195 397 D C 2.096 178.108 176.300 -0.480 0.000 0.989 397 D CA 1.445 55.387 54.000 -0.097 0.000 0.827 397 D CB -0.458 40.461 40.800 0.197 0.000 0.966 397 D HN 0.463 nan 8.370 nan 0.000 0.456 398 H N 0.635 119.133 119.070 -0.954 0.000 2.363 398 H HA 0.076 4.632 4.556 -0.001 0.000 0.301 398 H C 1.492 176.426 175.328 -0.657 0.000 1.074 398 H CA 1.551 56.843 56.048 -1.259 0.000 1.354 398 H CB 0.051 28.891 29.762 -1.537 0.000 1.397 398 H HN -0.019 nan 8.280 nan 0.000 0.516 399 N N -0.628 117.643 118.700 -0.715 0.000 2.415 399 N HA -0.002 4.737 4.740 -0.001 0.000 0.176 399 N C 1.017 176.265 175.510 -0.437 0.000 1.042 399 N CA 1.058 53.625 53.050 -0.806 0.000 0.902 399 N CB 1.129 38.769 38.487 -1.411 0.000 0.986 399 N HN 0.278 nan 8.380 nan 0.000 0.447 400 V N 0.136 119.885 119.914 -0.276 0.000 3.442 400 V HA 0.164 4.283 4.120 -0.001 0.000 0.205 400 V C 1.973 178.041 176.094 -0.043 0.000 1.320 400 V CA -0.043 62.219 62.300 -0.062 0.000 1.306 400 V CB 0.244 32.109 31.823 0.070 0.000 1.267 400 V HN -0.066 nan 8.190 nan 0.000 0.538 401 I N 0.470 121.027 120.570 -0.021 0.000 2.193 401 I HA -0.224 3.946 4.170 -0.001 0.000 0.240 401 I C 2.527 178.651 176.117 0.012 0.000 1.084 401 I CA 1.719 63.032 61.300 0.023 0.000 1.365 401 I CB -0.372 37.678 38.000 0.085 0.000 1.064 401 I HN 0.378 nan 8.210 nan 0.000 0.410 402 c N 0.938 119.535 118.600 -0.005 0.000 2.440 402 c HA -0.039 4.531 4.570 -0.001 0.000 0.278 402 c C 0.179 174.289 174.090 0.034 0.000 1.295 402 c CA 0.657 57.021 56.329 0.059 0.000 1.738 402 c CB -1.979 40.613 42.510 0.135 0.000 1.987 402 c HN 0.384 nan 8.230 nan 0.000 0.492 403 P HA -0.088 nan 4.420 nan 0.000 0.217 403 P C 1.727 179.042 177.300 0.025 0.000 1.150 403 P CA 1.081 64.146 63.100 -0.059 0.000 0.832 403 P CB -0.245 31.321 31.700 -0.224 0.000 0.787 404 L N -1.621 119.598 121.223 -0.007 0.000 2.046 404 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 404 L C 2.170 179.081 176.870 0.068 0.000 1.077 404 L CA 1.677 56.536 54.840 0.031 0.000 0.747 404 L CB -0.594 41.456 42.059 -0.016 0.000 0.896 404 L HN -0.142 nan 8.230 nan 0.000 0.432 405 M N -1.026 118.602 119.600 0.046 0.000 2.213 405 M HA -0.237 4.243 4.480 -0.001 0.000 0.263 405 M C 2.222 178.585 176.300 0.105 0.000 1.062 405 M CA 1.669 56.994 55.300 0.042 0.000 1.105 405 M CB -1.593 31.049 32.600 0.070 0.000 1.385 405 M HN 0.454 nan 8.290 nan 0.000 0.417 406 H N -0.180 118.925 119.070 0.059 0.000 2.357 406 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 406 H C 1.836 177.211 175.328 0.079 0.000 1.082 406 H CA 1.839 57.931 56.048 0.073 0.000 1.342 406 H CB -0.280 29.522 29.762 0.067 0.000 1.389 406 H HN 0.224 nan 8.280 nan 0.000 0.511 407 F N 0.249 120.176 119.950 -0.038 0.000 2.102 407 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 407 F C 2.228 177.961 175.800 -0.111 0.000 1.105 407 F CA 1.461 59.395 58.000 -0.110 0.000 1.239 407 F CB -0.825 38.109 39.000 -0.110 0.000 0.991 407 F HN 0.074 nan 8.300 nan 0.000 0.474 408 V N 1.116 120.934 119.914 -0.160 0.000 2.287 408 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 408 V C 2.333 178.300 176.094 -0.211 0.000 1.053 408 V CA 2.296 64.406 62.300 -0.315 0.000 1.027 408 V CB -0.755 30.813 31.823 -0.425 0.000 0.646 408 V HN 0.414 nan 8.190 nan 0.000 0.447 409 N N -0.128 118.517 118.700 -0.093 0.000 2.142 409 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 409 N C 1.856 177.340 175.510 -0.043 0.000 1.023 409 N CA 1.043 54.118 53.050 0.042 0.000 0.852 409 N CB -0.201 38.339 38.487 0.088 0.000 0.998 409 N HN 0.368 nan 8.380 nan 0.000 0.424 410 K N 0.499 120.793 120.400 -0.178 0.000 2.097 410 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 410 K C 1.921 178.496 176.600 -0.040 0.000 1.050 410 K CA 0.682 56.899 56.287 -0.117 0.000 0.938 410 K CB -0.680 31.701 32.500 -0.198 0.000 0.718 410 K HN 0.336 nan 8.250 nan 0.000 0.442 411 Y N 1.981 122.041 120.300 -0.399 0.000 2.220 411 Y HA -0.161 4.388 4.550 -0.001 0.000 0.291 411 Y C 2.112 178.001 175.900 -0.019 0.000 1.129 411 Y CA 1.698 59.542 58.100 -0.426 0.000 1.161 411 Y CB -0.225 37.662 38.460 -0.955 0.000 0.997 411 Y HN -0.005 nan 8.280 nan 0.000 0.522 412 T N -0.537 114.065 114.554 0.081 0.000 2.929 412 T HA -0.221 4.129 4.350 -0.001 0.000 0.271 412 T C 1.990 176.694 174.700 0.007 0.000 1.085 412 T CA 1.477 63.649 62.100 0.119 0.000 1.125 412 T CB -0.294 68.730 68.868 0.260 0.000 0.874 412 T HN 0.183 nan 8.240 nan 0.000 0.494 413 K N 0.501 120.874 120.400 -0.044 0.000 2.097 413 K HA 0.007 4.327 4.320 -0.001 0.000 0.205 413 K C 1.565 177.924 176.600 -0.400 0.000 1.050 413 K CA 0.970 57.117 56.287 -0.233 0.000 0.938 413 K CB -0.661 31.653 32.500 -0.309 0.000 0.718 413 K HN 0.629 nan 8.250 nan 0.000 0.442 414 F N -0.176 119.712 119.950 -0.104 0.000 2.717 414 F HA 0.399 4.926 4.527 -0.001 0.000 0.297 414 F C 1.601 177.283 175.800 -0.196 0.000 1.113 414 F CA -0.056 57.841 58.000 -0.171 0.000 1.319 414 F CB -0.086 38.737 39.000 -0.295 0.000 1.097 414 F HN 0.270 nan 8.300 nan 0.000 0.595 415 G N -0.114 108.625 108.800 -0.101 0.000 2.653 415 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.265 415 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.265 415 G C 0.384 175.331 174.900 0.079 0.000 1.237 415 G CA -0.376 44.671 45.100 -0.089 0.000 0.946 415 G HN 0.271 nan 8.290 nan 0.000 0.522 416 N N -0.438 118.363 118.700 0.167 0.000 2.238 416 N HA 0.265 5.005 4.740 -0.001 0.000 0.222 416 N C 0.331 175.927 175.510 0.144 0.000 1.133 416 N CA 0.480 53.606 53.050 0.127 0.000 0.854 416 N CB 0.317 38.872 38.487 0.115 0.000 1.041 416 N HN 0.873 nan 8.380 nan 0.000 0.510 417 G N 0.480 109.382 108.800 0.170 0.000 2.380 417 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.250 417 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.250 417 G C -1.271 173.673 174.900 0.074 0.000 1.578 417 G CA -0.772 44.384 45.100 0.093 0.000 0.974 417 G HN 0.019 nan 8.290 nan 0.000 0.680 418 T N 1.819 116.299 114.554 -0.123 0.000 2.824 418 T HA 0.677 5.027 4.350 -0.001 0.000 0.282 418 T C -1.161 173.292 174.700 -0.413 0.000 0.993 418 T CA -0.296 61.738 62.100 -0.111 0.000 0.967 418 T CB 1.174 70.075 68.868 0.056 0.000 0.960 418 T HN 0.418 nan 8.240 nan 0.000 0.441 419 Y N 2.188 122.397 120.300 -0.152 0.000 2.331 419 Y HA 0.666 5.216 4.550 -0.001 0.000 0.334 419 Y C -0.437 175.514 175.900 0.086 0.000 0.960 419 Y CA -1.189 56.783 58.100 -0.214 0.000 1.130 419 Y CB 1.491 39.334 38.460 -1.028 0.000 1.164 419 Y HN 0.443 nan 8.280 nan 0.000 0.458 420 L N 5.909 127.509 121.223 0.627 0.000 2.346 420 L HA 0.650 4.990 4.340 -0.001 0.000 0.276 420 L C -1.342 175.956 176.870 0.714 0.000 1.006 420 L CA -0.954 54.167 54.840 0.468 0.000 0.817 420 L CB 0.866 43.035 42.059 0.183 0.000 1.272 420 L HN 0.540 nan 8.230 nan 0.000 0.421 421 Y N 3.245 123.832 120.300 0.478 0.000 2.570 421 Y HA 0.737 5.287 4.550 -0.001 0.000 0.345 421 Y C -1.823 174.326 175.900 0.415 0.000 1.014 421 Y CA -2.014 56.314 58.100 0.381 0.000 1.063 421 Y CB 1.357 39.997 38.460 0.301 0.000 1.272 421 Y HN 0.552 nan 8.280 nan 0.000 0.477 422 F N 4.682 124.936 119.950 0.507 0.000 2.496 422 F HA 0.503 5.029 4.527 -0.001 0.000 0.341 422 F C -1.948 174.155 175.800 0.503 0.000 1.134 422 F CA -1.798 56.427 58.000 0.376 0.000 0.968 422 F CB 0.851 40.020 39.000 0.282 0.000 1.205 422 F HN 0.583 nan 8.300 nan 0.000 0.436 423 F N 8.365 128.355 119.950 0.067 0.000 2.404 423 F HA 0.343 4.869 4.527 -0.001 0.000 0.358 423 F C 0.004 175.668 175.800 -0.226 0.000 1.120 423 F CA -0.363 57.653 58.000 0.027 0.000 1.144 423 F CB 0.664 39.764 39.000 0.166 0.000 1.133 423 F HN 0.554 nan 8.300 nan 0.000 0.495 424 N N 3.387 121.642 118.700 -0.742 0.000 2.466 424 N HA 0.078 4.817 4.740 -0.001 0.000 0.272 424 N C -1.274 173.972 175.510 -0.440 0.000 1.455 424 N CA -0.470 52.278 53.050 -0.504 0.000 0.875 424 N CB -0.749 37.632 38.487 -0.178 0.000 1.372 424 N HN 0.635 nan 8.380 nan 0.000 0.492 425 H N 0.871 119.392 119.070 -0.916 0.000 2.517 425 H HA 0.423 4.979 4.556 -0.001 0.000 0.317 425 H C -0.405 174.756 175.328 -0.277 0.000 1.080 425 H CA -0.519 55.204 56.048 -0.542 0.000 1.301 425 H CB 0.998 30.392 29.762 -0.614 0.000 1.425 425 H HN 0.098 nan 8.280 nan 0.000 0.471 426 R N 4.220 124.340 120.500 -0.633 0.000 2.196 426 R HA 0.466 4.805 4.340 -0.001 0.000 0.340 426 R C -0.481 175.522 176.300 -0.494 0.000 1.043 426 R CA -0.588 55.294 56.100 -0.363 0.000 0.883 426 R CB 0.163 30.340 30.300 -0.205 0.000 1.078 426 R HN 0.826 nan 8.270 nan 0.000 0.462 427 A N 3.067 125.876 122.820 -0.019 0.000 2.587 427 A HA -0.052 4.268 4.320 -0.001 0.000 0.235 427 A C 1.354 179.001 177.584 0.104 0.000 1.044 427 A CA 0.692 52.898 52.037 0.283 0.000 0.754 427 A CB 0.255 19.577 19.000 0.537 0.000 0.968 427 A HN 1.016 nan 8.150 nan 0.000 0.509 428 S N 1.448 117.250 115.700 0.170 0.000 2.447 428 S HA -0.161 4.309 4.470 -0.001 0.000 0.233 428 S C 0.862 175.446 174.600 -0.027 0.000 1.006 428 S CA 1.119 59.357 58.200 0.063 0.000 0.957 428 S CB -0.431 62.831 63.200 0.104 0.000 0.773 428 S HN 0.938 nan 8.310 nan 0.000 0.507 429 N N 0.824 119.466 118.700 -0.096 0.000 2.273 429 N HA 0.264 5.003 4.740 -0.001 0.000 0.231 429 N C -0.291 175.147 175.510 -0.121 0.000 1.134 429 N CA -0.347 52.600 53.050 -0.172 0.000 0.856 429 N CB -0.545 37.724 38.487 -0.363 0.000 1.068 429 N HN 0.385 nan 8.380 nan 0.000 0.510 430 L N 1.072 122.264 121.223 -0.051 0.000 2.453 430 L HA 0.058 4.397 4.340 -0.001 0.000 0.272 430 L C 1.447 178.267 176.870 -0.083 0.000 1.182 430 L CA -0.403 54.414 54.840 -0.038 0.000 0.858 430 L CB 1.202 43.246 42.059 -0.026 0.000 1.120 430 L HN 0.153 nan 8.230 nan 0.000 0.474 431 V N -0.535 119.285 119.914 -0.157 0.000 3.590 431 V HA 0.090 4.209 4.120 -0.001 0.000 0.265 431 V C 0.459 176.489 176.094 -0.107 0.000 1.239 431 V CA -0.507 61.684 62.300 -0.181 0.000 1.117 431 V CB -0.734 30.899 31.823 -0.317 0.000 0.818 431 V HN 0.594 nan 8.190 nan 0.000 0.451 432 W N 2.212 123.472 121.300 -0.067 0.000 2.150 432 W HA 0.494 5.153 4.660 -0.001 0.000 0.341 432 W C -1.650 174.729 176.519 -0.233 0.000 1.276 432 W CA -1.961 55.292 57.345 -0.153 0.000 1.238 432 W CB -0.135 29.105 29.460 -0.367 0.000 1.128 432 W HN 0.036 nan 8.180 nan 0.000 0.581 433 P HA -0.061 nan 4.420 nan 0.000 0.270 433 P C 0.238 177.426 177.300 -0.186 0.000 1.223 433 P CA 0.225 63.265 63.100 -0.101 0.000 0.785 433 P CB 1.055 32.705 31.700 -0.084 0.000 0.923 434 E N 1.402 121.574 120.200 -0.046 0.000 2.118 434 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 434 E C 1.733 178.346 176.600 0.022 0.000 0.992 434 E CA 1.602 57.999 56.400 -0.006 0.000 0.804 434 E CB -0.650 29.087 29.700 0.062 0.000 0.741 434 E HN 0.636 nan 8.360 nan 0.000 0.458 435 W N -0.527 120.798 121.300 0.042 0.000 2.421 435 W HA -0.119 4.541 4.660 -0.001 0.000 0.270 435 W C 1.223 177.777 176.519 0.059 0.000 1.233 435 W CA 0.487 57.868 57.345 0.061 0.000 1.226 435 W CB -0.746 28.762 29.460 0.081 0.000 1.121 435 W HN 0.055 nan 8.180 nan 0.000 0.579 436 M N 1.389 120.609 119.600 -0.634 0.000 2.476 436 M HA 0.108 4.588 4.480 -0.001 0.000 0.262 436 M C 1.692 177.845 176.300 -0.246 0.000 1.079 436 M CA 1.708 56.604 55.300 -0.673 0.000 1.104 436 M CB -0.732 31.259 32.600 -1.015 0.000 1.409 436 M HN 0.189 nan 8.290 nan 0.000 0.467 437 G N 0.341 109.064 108.800 -0.129 0.000 2.527 437 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.268 437 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.268 437 G C -0.296 174.571 174.900 -0.056 0.000 1.175 437 G CA -0.348 44.732 45.100 -0.034 0.000 0.962 437 G HN 0.191 nan 8.290 nan 0.000 0.560 438 V N 1.640 121.556 119.914 0.004 0.000 2.322 438 V HA 0.463 4.583 4.120 -0.001 0.000 0.258 438 V C 1.002 177.177 176.094 0.136 0.000 1.074 438 V CA -0.113 62.227 62.300 0.068 0.000 0.909 438 V CB 0.354 32.207 31.823 0.050 0.000 1.090 438 V HN 0.555 nan 8.190 nan 0.000 0.486 439 I N 3.040 123.673 120.570 0.106 0.000 2.662 439 I HA 0.217 4.387 4.170 -0.001 0.000 0.291 439 I C 0.813 177.156 176.117 0.376 0.000 1.046 439 I CA -0.624 60.737 61.300 0.101 0.000 1.361 439 I CB 0.517 38.382 38.000 -0.226 0.000 1.429 439 I HN 0.583 nan 8.210 nan 0.000 0.558 440 H N 3.774 123.011 119.070 0.279 0.000 3.125 440 H HA 0.165 4.721 4.556 -0.001 0.000 0.310 440 H C 0.937 176.439 175.328 0.289 0.000 0.980 440 H CA 1.193 57.409 56.048 0.281 0.000 1.422 440 H CB 0.190 30.122 29.762 0.283 0.000 1.432 440 H HN 0.738 nan 8.280 nan 0.000 0.577 441 G N 3.409 112.173 108.800 -0.061 0.000 2.213 441 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.236 441 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.236 441 G C 0.608 175.554 174.900 0.076 0.000 0.991 441 G CA 0.334 45.363 45.100 -0.118 0.000 0.629 441 G HN 0.624 nan 8.290 nan 0.000 0.517 442 Y N 1.467 121.919 120.300 0.254 0.000 2.466 442 Y HA 0.222 4.771 4.550 -0.001 0.000 0.272 442 Y C 2.366 178.415 175.900 0.248 0.000 1.169 442 Y CA 0.995 59.301 58.100 0.343 0.000 1.285 442 Y CB 0.463 39.153 38.460 0.383 0.000 1.078 442 Y HN 0.470 nan 8.280 nan 0.000 0.523 443 E N 0.385 120.571 120.200 -0.023 0.000 2.371 443 E HA -0.082 4.268 4.350 -0.001 0.000 0.194 443 E C 1.603 178.162 176.600 -0.068 0.000 1.012 443 E CA 0.744 56.851 56.400 -0.489 0.000 0.860 443 E CB -0.418 28.645 29.700 -1.061 0.000 0.811 443 E HN 0.532 nan 8.360 nan 0.000 0.502 444 I N 2.485 123.103 120.570 0.081 0.000 2.226 444 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 444 I C 2.613 178.796 176.117 0.109 0.000 1.100 444 I CA 1.921 63.322 61.300 0.168 0.000 1.374 444 I CB -0.441 37.727 38.000 0.280 0.000 1.057 444 I HN 0.211 nan 8.210 nan 0.000 0.413 445 E N 0.968 121.171 120.200 0.004 0.000 2.204 445 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 445 E C 1.983 178.393 176.600 -0.317 0.000 0.990 445 E CA 1.397 57.700 56.400 -0.161 0.000 0.821 445 E CB -0.460 29.116 29.700 -0.207 0.000 0.750 445 E HN 0.432 nan 8.360 nan 0.000 0.477 446 F N 1.204 121.073 119.950 -0.135 0.000 2.187 446 F HA -0.045 4.481 4.527 -0.001 0.000 0.295 446 F C 2.433 178.067 175.800 -0.276 0.000 1.091 446 F CA 0.606 58.484 58.000 -0.202 0.000 1.308 446 F CB -0.286 38.636 39.000 -0.130 0.000 1.030 446 F HN -0.146 nan 8.300 nan 0.000 0.487 447 V N -0.805 119.018 119.914 -0.151 0.000 2.343 447 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 447 V C 1.847 177.756 176.094 -0.309 0.000 1.051 447 V CA 1.692 63.759 62.300 -0.389 0.000 1.036 447 V CB -0.675 30.938 31.823 -0.350 0.000 0.654 447 V HN 0.209 nan 8.190 nan 0.000 0.451 448 F N 0.418 120.239 119.950 -0.214 0.000 2.811 448 F HA 0.357 4.883 4.527 -0.001 0.000 0.301 448 F C 1.873 177.580 175.800 -0.155 0.000 1.151 448 F CA 0.796 58.696 58.000 -0.166 0.000 1.412 448 F CB -0.241 38.651 39.000 -0.180 0.000 1.113 448 F HN 0.281 nan 8.300 nan 0.000 0.579 449 G N -0.136 108.577 108.800 -0.146 0.000 2.136 449 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.242 449 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.242 449 G C 1.132 175.719 174.900 -0.521 0.000 0.989 449 G CA 0.331 45.271 45.100 -0.266 0.000 0.682 449 G HN 0.234 nan 8.290 nan 0.000 0.522 450 L N 0.006 120.904 121.223 -0.542 0.000 2.129 450 L HA -0.080 4.259 4.340 -0.001 0.000 0.212 450 L C 0.174 176.616 176.870 -0.714 0.000 1.087 450 L CA 2.631 57.089 54.840 -0.636 0.000 0.757 450 L CB -1.950 39.870 42.059 -0.398 0.000 0.896 450 L HN 0.222 nan 8.230 nan 0.000 0.434 451 P HA -0.080 nan 4.420 nan 0.000 0.234 451 P C 1.817 178.857 177.300 -0.433 0.000 1.167 451 P CA 0.761 63.242 63.100 -1.033 0.000 0.763 451 P CB 0.033 31.023 31.700 -1.184 0.000 0.835 452 L N -1.604 119.378 121.223 -0.400 0.000 2.395 452 L HA 0.037 4.377 4.340 -0.001 0.000 0.218 452 L C 1.143 177.888 176.870 -0.208 0.000 1.130 452 L CA 0.287 54.980 54.840 -0.244 0.000 0.826 452 L CB -0.682 41.267 42.059 -0.183 0.000 0.941 452 L HN -0.097 nan 8.230 nan 0.000 0.451 453 V N 0.231 119.972 119.914 -0.289 0.000 2.372 453 V HA 0.289 4.408 4.120 -0.001 0.000 0.261 453 V C 1.383 177.438 176.094 -0.065 0.000 1.055 453 V CA 0.339 62.540 62.300 -0.165 0.000 0.930 453 V CB 0.881 32.597 31.823 -0.178 0.000 1.031 453 V HN 0.305 nan 8.190 nan 0.000 0.479 454 K N 4.481 124.858 120.400 -0.038 0.000 2.089 454 K HA -0.209 4.111 4.320 -0.001 0.000 0.210 454 K C 1.493 178.087 176.600 -0.010 0.000 1.048 454 K CA 2.340 58.621 56.287 -0.011 0.000 0.926 454 K CB -1.008 31.484 32.500 -0.013 0.000 0.714 454 K HN 0.864 nan 8.250 nan 0.000 0.448 455 E N 0.157 120.344 120.200 -0.022 0.000 2.396 455 E HA -0.040 4.310 4.350 -0.001 0.000 0.200 455 E C 1.574 178.151 176.600 -0.038 0.000 1.023 455 E CA 0.710 57.092 56.400 -0.029 0.000 0.857 455 E CB -0.234 29.448 29.700 -0.030 0.000 0.775 455 E HN 0.629 nan 8.360 nan 0.000 0.525 456 L N -0.397 120.813 121.223 -0.021 0.000 2.585 456 L HA 0.128 4.467 4.340 -0.001 0.000 0.226 456 L C -0.132 176.661 176.870 -0.129 0.000 1.113 456 L CA -0.045 54.770 54.840 -0.042 0.000 0.876 456 L CB 0.074 42.159 42.059 0.043 0.000 1.072 456 L HN 0.081 nan 8.230 nan 0.000 0.468 457 N N -2.014 116.642 118.700 -0.073 0.000 2.990 457 N HA -0.170 4.570 4.740 -0.001 0.000 0.247 457 N C -0.774 174.643 175.510 -0.154 0.000 1.096 457 N CA 0.536 53.512 53.050 -0.123 0.000 0.797 457 N CB -1.685 36.687 38.487 -0.192 0.000 1.114 457 N HN 0.195 nan 8.380 nan 0.000 0.549 458 Y N 0.440 120.716 120.300 -0.041 0.000 2.326 458 Y HA 0.442 4.992 4.550 -0.001 0.000 0.324 458 Y C 1.885 177.793 175.900 0.014 0.000 1.291 458 Y CA -0.025 58.072 58.100 -0.005 0.000 1.348 458 Y CB 0.554 38.991 38.460 -0.038 0.000 1.294 458 Y HN 0.085 nan 8.280 nan 0.000 0.525 459 T N -1.945 112.742 114.554 0.222 0.000 2.754 459 T HA 0.386 4.735 4.350 -0.001 0.000 0.286 459 T C 1.188 175.955 174.700 0.113 0.000 0.997 459 T CA -0.245 61.936 62.100 0.135 0.000 0.982 459 T CB 0.976 69.922 68.868 0.130 0.000 1.027 459 T HN 0.750 nan 8.240 nan 0.000 0.529 460 A N 0.671 123.530 122.820 0.066 0.000 1.969 460 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 460 A C 2.305 179.908 177.584 0.032 0.000 1.169 460 A CA 1.078 53.139 52.037 0.039 0.000 0.635 460 A CB -0.687 18.326 19.000 0.023 0.000 0.810 460 A HN 0.925 nan 8.150 nan 0.000 0.445 461 E N 0.593 120.814 120.200 0.036 0.000 2.208 461 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 461 E C 1.359 177.960 176.600 0.002 0.000 0.988 461 E CA 1.121 57.524 56.400 0.005 0.000 0.828 461 E CB -0.501 29.193 29.700 -0.010 0.000 0.763 461 E HN 0.774 nan 8.360 nan 0.000 0.478 462 E N 1.205 121.454 120.200 0.082 0.000 2.107 462 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 462 E C 2.074 178.749 176.600 0.125 0.000 0.982 462 E CA 1.019 57.542 56.400 0.205 0.000 0.809 462 E CB -0.028 29.943 29.700 0.452 0.000 0.756 462 E HN 0.428 nan 8.360 nan 0.000 0.459 463 E N 0.984 121.201 120.200 0.028 0.000 2.110 463 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 463 E C 1.958 178.539 176.600 -0.032 0.000 0.988 463 E CA 1.152 57.521 56.400 -0.052 0.000 0.804 463 E CB -0.053 29.620 29.700 -0.045 0.000 0.745 463 E HN 0.206 nan 8.360 nan 0.000 0.458 464 A N 0.939 123.750 122.820 -0.014 0.000 1.929 464 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 464 A C 2.135 179.701 177.584 -0.029 0.000 1.176 464 A CA 1.117 53.136 52.037 -0.029 0.000 0.628 464 A CB -0.605 18.377 19.000 -0.030 0.000 0.816 464 A HN 0.405 nan 8.150 nan 0.000 0.444 465 L N -0.053 121.164 121.223 -0.009 0.000 2.042 465 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 465 L C 2.532 179.436 176.870 0.056 0.000 1.076 465 L CA 2.648 57.480 54.840 -0.013 0.000 0.749 465 L CB -0.959 41.045 42.059 -0.092 0.000 0.893 465 L HN 0.334 nan 8.230 nan 0.000 0.432 466 S N -0.774 115.019 115.700 0.154 0.000 2.359 466 S HA -0.220 4.249 4.470 -0.001 0.000 0.224 466 S C 2.209 176.783 174.600 -0.044 0.000 1.035 466 S CA 1.487 59.738 58.200 0.084 0.000 1.018 466 S CB -0.229 62.928 63.200 -0.071 0.000 0.876 466 S HN 0.543 nan 8.310 nan 0.000 0.448 467 R N 0.682 121.148 120.500 -0.056 0.000 2.096 467 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 467 R C 2.639 178.892 176.300 -0.078 0.000 1.127 467 R CA 1.672 57.730 56.100 -0.070 0.000 0.968 467 R CB -0.264 29.991 30.300 -0.075 0.000 0.861 467 R HN 0.586 nan 8.270 nan 0.000 0.440 468 R N 0.234 120.668 120.500 -0.111 0.000 2.148 468 R HA -0.021 4.319 4.340 -0.001 0.000 0.223 468 R C 1.946 178.103 176.300 -0.238 0.000 1.088 468 R CA 1.154 57.117 56.100 -0.228 0.000 0.985 468 R CB -0.453 29.662 30.300 -0.309 0.000 0.880 468 R HN 0.205 nan 8.270 nan 0.000 0.451 469 I N 1.404 121.916 120.570 -0.097 0.000 2.202 469 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 469 I C 2.595 178.663 176.117 -0.082 0.000 1.091 469 I CA 1.383 62.637 61.300 -0.076 0.000 1.368 469 I CB -0.217 37.604 38.000 -0.299 0.000 1.058 469 I HN 0.133 nan 8.210 nan 0.000 0.410 470 M N -0.460 119.067 119.600 -0.123 0.000 2.106 470 M HA -0.288 4.192 4.480 -0.001 0.000 0.259 470 M C 2.420 178.783 176.300 0.105 0.000 1.068 470 M CA 1.883 57.145 55.300 -0.062 0.000 1.100 470 M CB -0.755 31.803 32.600 -0.070 0.000 1.351 470 M HN 0.292 nan 8.290 nan 0.000 0.404 471 H N -0.557 118.511 119.070 -0.003 0.000 2.403 471 H HA -0.100 4.455 4.556 -0.001 0.000 0.298 471 H C 1.582 177.019 175.328 0.182 0.000 1.059 471 H CA 1.647 57.712 56.048 0.028 0.000 1.363 471 H CB -0.001 29.726 29.762 -0.058 0.000 1.410 471 H HN 0.250 nan 8.280 nan 0.000 0.528 472 Y N -0.556 119.882 120.300 0.230 0.000 2.097 472 Y HA -0.284 4.266 4.550 -0.001 0.000 0.282 472 Y C 2.568 178.648 175.900 0.300 0.000 1.152 472 Y CA 1.228 59.504 58.100 0.292 0.000 1.136 472 Y CB -1.127 37.705 38.460 0.619 0.000 0.975 472 Y HN 0.370 nan 8.280 nan 0.000 0.498 473 W N -0.649 120.749 121.300 0.164 0.000 2.355 473 W HA -0.223 4.436 4.660 -0.001 0.000 0.309 473 W C 2.558 179.075 176.519 -0.002 0.000 1.206 473 W CA 1.152 58.522 57.345 0.042 0.000 1.284 473 W CB -0.443 28.971 29.460 -0.076 0.000 1.145 473 W HN 0.064 nan 8.180 nan 0.000 0.502 474 A N -0.230 122.694 122.820 0.173 0.000 1.929 474 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 474 A C 1.803 179.367 177.584 -0.035 0.000 1.176 474 A CA 1.964 54.017 52.037 0.028 0.000 0.628 474 A CB -1.092 17.915 19.000 0.013 0.000 0.816 474 A HN 0.174 nan 8.150 nan 0.000 0.444 475 T N -0.668 113.825 114.554 -0.100 0.000 2.821 475 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 475 T C 1.591 176.249 174.700 -0.071 0.000 1.046 475 T CA 1.486 63.496 62.100 -0.150 0.000 1.139 475 T CB -0.380 68.334 68.868 -0.256 0.000 0.871 475 T HN 0.508 nan 8.240 nan 0.000 0.454 476 F N 2.370 122.219 119.950 -0.169 0.000 2.134 476 F HA 0.025 4.551 4.527 -0.001 0.000 0.299 476 F C 2.433 178.147 175.800 -0.142 0.000 1.097 476 F CA 0.969 58.840 58.000 -0.215 0.000 1.264 476 F CB -0.629 38.173 39.000 -0.329 0.000 1.001 476 F HN 0.137 nan 8.300 nan 0.000 0.479 477 A N 0.407 123.143 122.820 -0.140 0.000 1.908 477 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 477 A C 2.338 179.781 177.584 -0.235 0.000 1.181 477 A CA 2.074 53.982 52.037 -0.214 0.000 0.627 477 A CB -0.900 18.054 19.000 -0.078 0.000 0.818 477 A HN 0.525 nan 8.150 nan 0.000 0.445 478 K N -0.986 119.315 120.400 -0.166 0.000 2.062 478 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 478 K C 1.717 178.229 176.600 -0.147 0.000 1.051 478 K CA 1.849 58.062 56.287 -0.123 0.000 0.941 478 K CB -0.080 32.374 32.500 -0.076 0.000 0.719 478 K HN 0.614 nan 8.250 nan 0.000 0.440 479 T N -4.929 109.511 114.554 -0.190 0.000 2.975 479 T HA 0.257 4.607 4.350 -0.001 0.000 0.261 479 T C 1.097 175.673 174.700 -0.207 0.000 0.984 479 T CA 0.425 62.432 62.100 -0.155 0.000 0.911 479 T CB 0.909 69.719 68.868 -0.098 0.000 1.127 479 T HN 0.316 nan 8.240 nan 0.000 0.514 480 G N 1.579 110.129 108.800 -0.417 0.000 2.143 480 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.249 480 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.249 480 G C -0.162 174.695 174.900 -0.072 0.000 0.981 480 G CA 0.072 44.903 45.100 -0.449 0.000 0.665 480 G HN 0.851 nan 8.290 nan 0.000 0.528 481 N N -0.353 118.294 118.700 -0.089 0.000 2.478 481 N HA 0.428 5.167 4.740 -0.001 0.000 0.291 481 N C -1.684 173.680 175.510 -0.243 0.000 1.090 481 N CA -1.533 51.415 53.050 -0.169 0.000 0.911 481 N CB 2.364 40.821 38.487 -0.051 0.000 1.546 481 N HN -0.060 nan 8.380 nan 0.000 0.500 482 P HA -0.026 nan 4.420 nan 0.000 0.233 482 P C -0.495 176.819 177.300 0.023 0.000 1.167 482 P CA 0.495 63.447 63.100 -0.246 0.000 0.770 482 P CB 0.302 31.621 31.700 -0.634 0.000 0.837 483 N N 1.669 120.346 118.700 -0.038 0.000 2.514 483 N HA 0.077 4.817 4.740 -0.001 0.000 0.277 483 N C 0.150 175.719 175.510 0.098 0.000 1.126 483 N CA -0.033 53.095 53.050 0.130 0.000 0.978 483 N CB 0.794 39.357 38.487 0.127 0.000 1.106 483 N HN 0.006 nan 8.380 nan 0.000 0.461 484 E N 3.093 123.382 120.200 0.148 0.000 2.324 484 E HA 0.147 4.497 4.350 -0.001 0.000 0.271 484 E C -1.743 174.917 176.600 0.100 0.000 1.028 484 E CA -1.113 55.363 56.400 0.126 0.000 0.890 484 E CB 0.196 30.010 29.700 0.190 0.000 1.004 484 E HN 0.339 nan 8.360 nan 0.000 0.431 491 K N 2.265 122.769 120.400 0.173 0.000 2.414 491 K HA 0.099 4.419 4.320 -0.001 0.000 0.272 491 K C -0.172 176.601 176.600 0.289 0.000 0.993 491 K CA -0.183 56.240 56.287 0.226 0.000 0.964 491 K CB 0.255 32.869 32.500 0.190 0.000 0.925 491 K HN 0.656 nan 8.250 nan 0.000 0.487 492 W N 6.315 127.677 121.300 0.103 0.000 2.387 492 W HA 0.213 4.873 4.660 -0.001 0.000 0.310 492 W C -2.354 174.283 176.519 0.197 0.000 1.181 492 W CA -2.686 54.712 57.345 0.088 0.000 1.333 492 W CB 0.056 29.459 29.460 -0.094 0.000 1.286 492 W HN 0.353 nan 8.180 nan 0.000 0.455 493 P HA 0.085 nan 4.420 nan 0.000 0.281 493 P C -0.402 177.136 177.300 0.396 0.000 1.249 493 P CA -0.703 62.643 63.100 0.410 0.000 0.810 493 P CB 1.377 33.219 31.700 0.237 0.000 1.008 494 L N 2.404 123.714 121.223 0.146 0.000 2.593 494 L HA 0.015 4.354 4.340 -0.001 0.000 0.287 494 L C 0.138 177.001 176.870 -0.011 0.000 1.243 494 L CA 0.237 54.944 54.840 -0.221 0.000 0.890 494 L CB -1.156 40.806 42.059 -0.163 0.000 1.134 494 L HN 0.283 nan 8.230 nan 0.000 0.502 495 F N 4.083 123.938 119.950 -0.158 0.000 2.410 495 F HA 0.521 5.048 4.527 -0.001 0.000 0.348 495 F C 0.333 176.108 175.800 -0.042 0.000 1.106 495 F CA -0.252 57.742 58.000 -0.009 0.000 1.163 495 F CB 0.806 39.830 39.000 0.040 0.000 1.129 495 F HN 0.630 nan 8.300 nan 0.000 0.516 496 T N 0.609 114.840 114.554 -0.539 0.000 2.916 496 T HA 0.286 4.636 4.350 -0.001 0.000 0.292 496 T C 0.866 175.277 174.700 -0.483 0.000 1.055 496 T CA -0.125 61.781 62.100 -0.323 0.000 1.009 496 T CB 1.327 70.077 68.868 -0.197 0.000 1.118 496 T HN 0.594 nan 8.240 nan 0.000 0.497 497 T N -0.876 113.554 114.554 -0.207 0.000 2.803 497 T HA -0.037 4.312 4.350 -0.001 0.000 0.269 497 T C 2.310 176.915 174.700 -0.159 0.000 1.052 497 T CA 1.612 63.629 62.100 -0.139 0.000 1.136 497 T CB -0.885 67.954 68.868 -0.047 0.000 0.864 497 T HN 0.915 nan 8.240 nan 0.000 0.467 498 K N 1.545 121.853 120.400 -0.153 0.000 1.991 498 K HA 0.062 4.382 4.320 -0.001 0.000 0.207 498 K C 2.171 178.697 176.600 -0.124 0.000 1.045 498 K CA 1.523 57.744 56.287 -0.110 0.000 0.937 498 K CB -0.956 31.493 32.500 -0.084 0.000 0.720 498 K HN 0.388 nan 8.250 nan 0.000 0.438 499 E N -0.606 119.494 120.200 -0.166 0.000 2.250 499 E HA 0.077 4.427 4.350 -0.001 0.000 0.192 499 E C 0.104 176.604 176.600 -0.166 0.000 0.986 499 E CA 0.352 56.673 56.400 -0.131 0.000 0.849 499 E CB 0.473 30.107 29.700 -0.109 0.000 0.797 499 E HN 0.526 nan 8.360 nan 0.000 0.482 500 Q N -0.120 119.442 119.800 -0.397 0.000 2.475 500 Q HA -0.227 4.112 4.340 -0.001 0.000 0.280 500 Q C -0.836 175.166 176.000 0.003 0.000 1.234 500 Q CA 0.687 56.206 55.803 -0.473 0.000 0.873 500 Q CB -1.244 27.449 28.738 -0.075 0.000 1.256 500 Q HN 0.130 nan 8.270 nan 0.000 0.475 501 K N 0.332 120.734 120.400 0.003 0.000 2.202 501 K HA 0.560 4.880 4.320 -0.001 0.000 0.264 501 K C 0.009 176.941 176.600 0.553 0.000 1.010 501 K CA 0.161 56.578 56.287 0.216 0.000 0.940 501 K CB 0.532 33.092 32.500 0.100 0.000 0.983 501 K HN 0.199 nan 8.250 nan 0.000 0.475 502 F N -0.062 120.069 119.950 0.301 0.000 2.711 502 F HA 0.735 5.262 4.527 -0.001 0.000 0.313 502 F C -0.875 175.043 175.800 0.196 0.000 1.141 502 F CA -1.275 56.921 58.000 0.327 0.000 0.941 502 F CB 1.046 40.240 39.000 0.324 0.000 1.349 502 F HN 0.530 nan 8.300 nan 0.000 0.464 503 I N -2.195 118.489 120.570 0.191 0.000 0.000 503 I HA 0.735 4.905 4.170 -0.001 0.000 0.000 503 I C -2.317 nan 176.117 nan 0.000 0.000 503 I CA -0.844 60.449 61.300 -0.011 0.000 0.000 503 I CB 2.333 40.081 38.000 -0.419 0.000 0.000 503 I HN 0.634 nan 8.210 nan 0.000 0.000 504 D N 1.453 122.017 120.400 0.274 0.000 0.000 504 D HA 0.520 5.160 4.640 -0.001 0.000 0.000 504 D C -1.933 174.463 176.300 0.160 0.000 0.000 504 D CA -0.328 53.867 54.000 0.325 0.000 0.000 504 D CB 2.307 43.273 40.800 0.277 0.000 0.000 504 D HN 0.475 nan 8.370 nan 0.000 0.000 505 L N 2.912 124.229 121.223 0.156 0.000 2.377 505 L HA 0.518 4.858 4.340 -0.001 0.000 0.270 505 L C -0.591 176.216 176.870 -0.106 0.000 0.991 505 L CA -0.482 54.401 54.840 0.073 0.000 0.851 505 L CB 0.452 42.633 42.059 0.203 0.000 1.218 505 L HN 0.606 nan 8.230 nan 0.000 0.420 506 N N -0.650 117.985 118.700 -0.109 0.000 3.179 506 N HA 0.262 5.002 4.740 -0.001 0.000 0.250 506 N C 0.537 175.933 175.510 -0.191 0.000 1.507 506 N CA -0.092 52.837 53.050 -0.201 0.000 0.883 506 N CB 0.326 38.754 38.487 -0.099 0.000 1.435 506 N HN 0.133 nan 8.380 nan 0.000 0.532 507 T N -3.873 110.519 114.554 -0.270 0.000 2.915 507 T HA 0.007 4.357 4.350 -0.001 0.000 0.269 507 T C 0.441 175.098 174.700 -0.073 0.000 1.071 507 T CA 0.858 62.836 62.100 -0.203 0.000 1.132 507 T CB -0.443 68.274 68.868 -0.251 0.000 0.878 507 T HN 0.447 nan 8.240 nan 0.000 0.479 508 E N 2.310 122.492 120.200 -0.031 0.000 2.409 508 E HA 0.321 4.670 4.350 -0.001 0.000 0.257 508 E C -2.479 174.124 176.600 0.006 0.000 1.150 508 E CA -1.489 54.913 56.400 0.003 0.000 0.942 508 E CB -0.139 29.578 29.700 0.029 0.000 0.979 508 E HN 0.497 nan 8.360 nan 0.000 0.447 509 P HA 0.197 nan 4.420 nan 0.000 0.275 509 P C -0.305 177.007 177.300 0.021 0.000 1.228 509 P CA -0.000 63.109 63.100 0.016 0.000 0.786 509 P CB 0.226 31.935 31.700 0.015 0.000 0.927 510 M N 1.779 121.396 119.600 0.028 0.000 2.327 510 M HA 0.164 4.643 4.480 -0.001 0.000 0.353 510 M C 0.443 176.732 176.300 -0.019 0.000 1.539 510 M CA 0.492 55.806 55.300 0.023 0.000 1.039 510 M CB -1.192 nan 32.600 nan 0.000 1.967 510 M HN 0.186 nan 8.290 nan 0.000 0.459 511 K N 2.620 122.988 120.400 -0.054 0.000 2.203 511 K HA 0.852 5.172 4.320 -0.001 0.000 0.251 511 K C -0.833 175.567 176.600 -0.334 0.000 0.944 511 K CA -0.680 55.489 56.287 -0.196 0.000 0.829 511 K CB 2.129 34.486 32.500 -0.239 0.000 1.125 511 K HN 0.810 nan 8.250 nan 0.000 0.430 512 V N 3.019 122.684 119.914 -0.416 0.000 2.532 512 V HA 0.502 4.621 4.120 -0.001 0.000 0.295 512 V C -0.010 175.649 176.094 -0.726 0.000 1.041 512 V CA -0.527 61.523 62.300 -0.416 0.000 0.926 512 V CB 1.199 32.906 31.823 -0.194 0.000 0.992 512 V HN 0.836 nan 8.190 nan 0.000 0.457 513 H N 2.573 121.287 119.070 -0.594 0.000 2.960 513 H HA 0.641 5.197 4.556 -0.001 0.000 0.303 513 H C -1.179 173.803 175.328 -0.577 0.000 1.412 513 H CA -0.816 54.842 56.048 -0.650 0.000 1.227 513 H CB 2.324 31.510 29.762 -0.960 0.000 1.912 513 H HN 0.540 nan 8.280 nan 0.000 0.583 514 Q N 0.064 119.826 119.800 -0.062 0.000 2.416 514 Q HA 0.370 4.709 4.340 -0.001 0.000 0.281 514 Q C -0.804 175.449 176.000 0.422 0.000 1.067 514 Q CA -0.866 55.053 55.803 0.193 0.000 0.809 514 Q CB 2.990 31.780 28.738 0.088 0.000 1.418 514 Q HN 0.469 nan 8.270 nan 0.000 0.411 515 R N 0.977 121.733 120.500 0.427 0.000 3.152 515 R HA -0.199 4.141 4.340 -0.001 0.000 0.252 515 R C -0.745 175.715 176.300 0.266 0.000 0.930 515 R CA -0.127 56.149 56.100 0.294 0.000 0.642 515 R CB -1.399 29.009 30.300 0.179 0.000 1.205 515 R HN 0.482 nan 8.270 nan 0.000 0.452 516 L N 2.118 123.453 121.223 0.187 0.000 2.660 516 L HA -0.022 4.317 4.340 -0.001 0.000 0.272 516 L C 0.829 177.664 176.870 -0.058 0.000 1.194 516 L CA 0.840 55.559 54.840 -0.202 0.000 0.945 516 L CB -0.060 41.518 42.059 -0.801 0.000 1.212 516 L HN 0.418 nan 8.230 nan 0.000 0.490 517 R N 2.093 122.575 120.500 -0.030 0.000 3.387 517 R HA -0.215 4.124 4.340 -0.001 0.000 0.254 517 R C 1.226 177.592 176.300 0.109 0.000 1.006 517 R CA 0.624 56.755 56.100 0.053 0.000 0.677 517 R CB -2.189 28.164 30.300 0.088 0.000 1.063 517 R HN 0.759 nan 8.270 nan 0.000 0.453 518 V N -2.460 117.518 119.914 0.107 0.000 2.324 518 V HA -0.358 3.762 4.120 -0.001 0.000 0.250 518 V C 2.354 178.526 176.094 0.130 0.000 1.060 518 V CA 2.232 64.608 62.300 0.127 0.000 1.042 518 V CB -0.509 31.382 31.823 0.112 0.000 0.650 518 V HN 0.320 nan 8.190 nan 0.000 0.450 519 Q N -0.149 119.707 119.800 0.094 0.000 2.002 519 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 519 Q C 2.173 178.236 176.000 0.104 0.000 0.988 519 Q CA 2.221 58.062 55.803 0.065 0.000 0.843 519 Q CB -0.380 28.362 28.738 0.007 0.000 0.908 519 Q HN 0.530 nan 8.270 nan 0.000 0.420 520 M N -1.138 118.546 119.600 0.141 0.000 2.254 520 M HA -0.104 4.375 4.480 -0.001 0.000 0.265 520 M C 2.263 178.862 176.300 0.498 0.000 1.066 520 M CA 0.818 56.277 55.300 0.265 0.000 1.123 520 M CB -1.003 31.808 32.600 0.351 0.000 1.388 520 M HN 0.340 nan 8.290 nan 0.000 0.425 521 c N -0.585 118.249 118.600 0.390 0.000 2.464 521 c HA 0.011 4.581 4.570 -0.001 0.000 0.278 521 c C 2.887 177.171 174.090 0.324 0.000 1.375 521 c CA 0.071 56.643 56.329 0.404 0.000 1.761 521 c CB -0.722 41.955 42.510 0.278 0.000 1.944 521 c HN 0.304 nan 8.230 nan 0.000 0.509 522 V N 0.928 120.995 119.914 0.254 0.000 2.407 522 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 522 V C 2.059 178.292 176.094 0.232 0.000 1.055 522 V CA 2.378 64.803 62.300 0.208 0.000 1.049 522 V CB -0.797 31.121 31.823 0.159 0.000 0.662 522 V HN 0.603 nan 8.190 nan 0.000 0.455 523 F N -0.188 119.813 119.950 0.086 0.000 2.113 523 F HA -0.168 4.359 4.527 -0.001 0.000 0.297 523 F C 1.991 177.810 175.800 0.030 0.000 1.103 523 F CA 1.567 59.576 58.000 0.015 0.000 1.248 523 F CB -0.416 38.481 39.000 -0.172 0.000 0.999 523 F HN 0.160 nan 8.300 nan 0.000 0.475 524 W N 0.616 121.974 121.300 0.097 0.000 2.436 524 W HA -0.086 4.574 4.660 -0.001 0.000 0.284 524 W C 1.948 178.426 176.519 -0.070 0.000 1.225 524 W CA 0.722 58.039 57.345 -0.047 0.000 1.271 524 W CB -0.351 29.224 29.460 0.193 0.000 1.114 524 W HN -0.006 nan 8.180 nan 0.000 0.559 525 N N -0.946 117.873 118.700 0.199 0.000 2.388 525 N HA -0.006 4.734 4.740 -0.001 0.000 0.176 525 N C 1.379 176.897 175.510 0.014 0.000 1.062 525 N CA 0.882 53.968 53.050 0.060 0.000 0.895 525 N CB 0.032 38.573 38.487 0.091 0.000 1.018 525 N HN 0.355 nan 8.380 nan 0.000 0.456 526 Q N -1.350 118.482 119.800 0.053 0.000 2.620 526 Q HA 0.204 4.543 4.340 -0.001 0.000 0.232 526 Q C 1.147 177.162 176.000 0.026 0.000 0.836 526 Q CA -0.119 55.715 55.803 0.051 0.000 0.938 526 Q CB 0.190 28.991 28.738 0.105 0.000 1.242 526 Q HN 0.125 nan 8.270 nan 0.000 0.624 527 F N 1.867 121.745 119.950 -0.120 0.000 2.074 527 F HA -0.122 4.405 4.527 -0.001 0.000 0.293 527 F C 1.966 177.608 175.800 -0.263 0.000 1.116 527 F CA 0.899 58.806 58.000 -0.156 0.000 1.212 527 F CB -0.201 38.739 39.000 -0.102 0.000 0.998 527 F HN 0.024 nan 8.300 nan 0.000 0.471 528 L N 1.262 122.177 121.223 -0.514 0.000 2.042 528 L HA -0.071 4.268 4.340 -0.001 0.000 0.210 528 L C -0.937 175.707 176.870 -0.377 0.000 1.076 528 L CA 2.095 56.573 54.840 -0.604 0.000 0.749 528 L CB -1.873 39.737 42.059 -0.749 0.000 0.893 528 L HN 0.016 nan 8.230 nan 0.000 0.432 529 P HA -0.169 nan 4.420 nan 0.000 0.217 529 P C 1.535 178.721 177.300 -0.191 0.000 1.151 529 P CA 1.391 64.402 63.100 -0.148 0.000 0.828 529 P CB -0.021 31.624 31.700 -0.092 0.000 0.788 530 K N -0.330 119.928 120.400 -0.237 0.000 2.074 530 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 530 K C 1.896 178.310 176.600 -0.310 0.000 1.048 530 K CA 1.394 57.538 56.287 -0.238 0.000 0.926 530 K CB -0.721 31.648 32.500 -0.218 0.000 0.713 530 K HN 0.003 nan 8.250 nan 0.000 0.444 531 L N 0.955 121.873 121.223 -0.508 0.000 2.056 531 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 531 L C 1.650 178.368 176.870 -0.252 0.000 1.078 531 L CA 1.632 56.199 54.840 -0.455 0.000 0.749 531 L CB -0.758 40.876 42.059 -0.710 0.000 0.901 531 L HN 0.178 nan 8.230 nan 0.000 0.433 532 L N 0.089 121.180 121.223 -0.220 0.000 2.201 532 L HA -0.110 4.230 4.340 -0.001 0.000 0.212 532 L C 2.226 179.040 176.870 -0.093 0.000 1.105 532 L CA 1.299 56.058 54.840 -0.134 0.000 0.775 532 L CB -0.743 41.256 42.059 -0.101 0.000 0.913 532 L HN 0.430 nan 8.230 nan 0.000 0.440 533 N N 0.158 118.798 118.700 -0.100 0.000 2.459 533 N HA -0.082 4.657 4.740 -0.001 0.000 0.181 533 N C 1.564 177.034 175.510 -0.066 0.000 1.046 533 N CA 0.973 53.980 53.050 -0.071 0.000 0.904 533 N CB 0.177 38.623 38.487 -0.069 0.000 0.964 533 N HN 0.269 nan 8.380 nan 0.000 0.444 534 A N -0.991 121.778 122.820 -0.085 0.000 2.169 534 A HA 0.179 4.498 4.320 -0.001 0.000 0.210 534 A C 1.021 178.573 177.584 -0.054 0.000 1.168 534 A CA 0.697 52.694 52.037 -0.067 0.000 0.813 534 A CB -0.263 18.691 19.000 -0.077 0.000 0.861 534 A HN 0.419 nan 8.150 nan 0.000 0.481 535 T N 0.000 114.518 114.554 -0.060 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 535 T CB 0.000 68.835 68.868 -0.054 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658