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 1it0_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.011 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 E N 0.020 120.212 120.200 -0.014 0.000 3.008 2 E HA 0.188 4.538 4.350 0.001 0.000 0.131 2 E C -0.385 176.202 176.600 -0.022 0.000 0.872 2 E CA 0.423 56.809 56.400 -0.024 0.000 1.451 2 E CB -0.118 29.569 29.700 -0.021 0.000 0.975 2 E HN 0.293 nan 8.360 nan 0.000 0.404 3 S N 0.488 116.182 115.700 -0.010 0.000 2.511 3 S HA 0.077 4.548 4.470 0.001 0.000 0.214 3 S C 0.783 175.401 174.600 0.030 0.000 0.997 3 S CA 0.794 59.000 58.200 0.011 0.000 0.908 3 S CB 0.675 63.881 63.200 0.010 0.000 0.803 3 S HN 0.592 nan 8.310 nan 0.000 0.504 4 T N -1.064 113.486 114.554 -0.007 0.000 2.924 4 T HA 0.627 4.977 4.350 0.001 0.000 0.291 4 T C 1.006 175.630 174.700 -0.126 0.000 1.045 4 T CA -0.818 61.270 62.100 -0.020 0.000 1.015 4 T CB 1.096 69.944 68.868 -0.034 0.000 1.103 4 T HN -0.069 nan 8.240 nan 0.000 0.496 5 L N 1.056 122.127 121.223 -0.252 0.000 2.017 5 L HA 0.110 4.451 4.340 0.001 0.000 0.208 5 L C 3.016 179.782 176.870 -0.174 0.000 1.073 5 L CA 1.735 56.308 54.840 -0.445 0.000 0.745 5 L CB -1.136 40.392 42.059 -0.885 0.000 0.894 5 L HN 0.981 nan 8.230 nan 0.000 0.432 6 G N -0.149 108.617 108.800 -0.058 0.000 2.446 6 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 6 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 6 G C 1.764 176.706 174.900 0.070 0.000 1.168 6 G CA 0.932 46.096 45.100 0.107 0.000 0.771 6 G HN 0.470 nan 8.290 nan 0.000 0.551 7 A N 0.932 123.759 122.820 0.012 0.000 1.930 7 A HA 0.331 4.652 4.320 0.001 0.000 0.217 7 A C 2.766 180.352 177.584 0.003 0.000 1.175 7 A CA 2.133 54.175 52.037 0.009 0.000 0.627 7 A CB -0.625 18.371 19.000 -0.007 0.000 0.815 7 A HN 0.793 nan 8.150 nan 0.000 0.443 8 A N -0.331 122.474 122.820 -0.025 0.000 1.968 8 A HA 0.269 4.590 4.320 0.001 0.000 0.217 8 A C 2.409 179.995 177.584 0.004 0.000 1.169 8 A CA 1.705 53.724 52.037 -0.031 0.000 0.638 8 A CB -0.743 18.206 19.000 -0.086 0.000 0.812 8 A HN 0.936 nan 8.150 nan 0.000 0.446 9 A N -0.157 122.690 122.820 0.044 0.000 1.929 9 A HA 0.281 4.601 4.320 0.001 0.000 0.216 9 A C 2.425 180.051 177.584 0.072 0.000 1.176 9 A CA 1.598 53.691 52.037 0.093 0.000 0.628 9 A CB -0.844 18.282 19.000 0.209 0.000 0.816 9 A HN 0.971 nan 8.150 nan 0.000 0.444 10 A N -0.481 122.383 122.820 0.074 0.000 2.019 10 A HA -0.211 4.109 4.320 0.001 0.000 0.219 10 A C 2.019 179.626 177.584 0.039 0.000 1.164 10 A CA 1.583 53.659 52.037 0.065 0.000 0.644 10 A CB -0.564 18.473 19.000 0.061 0.000 0.805 10 A HN 0.651 nan 8.150 nan 0.000 0.449 11 Q N 0.079 119.895 119.800 0.026 0.000 2.197 11 Q HA -0.156 4.184 4.340 0.001 0.000 0.207 11 Q C 1.772 177.780 176.000 0.014 0.000 0.984 11 Q CA 1.754 57.566 55.803 0.015 0.000 0.869 11 Q CB -0.213 28.528 28.738 0.006 0.000 0.906 11 Q HN 0.816 nan 8.270 nan 0.000 0.426 12 S N -2.031 113.678 115.700 0.016 0.000 2.575 12 S HA 0.387 4.857 4.470 0.001 0.000 0.237 12 S C 1.044 175.652 174.600 0.013 0.000 0.975 12 S CA 0.053 58.259 58.200 0.010 0.000 0.960 12 S CB 0.963 64.165 63.200 0.003 0.000 0.822 12 S HN 0.468 nan 8.310 nan 0.000 0.472 13 G N 1.361 110.176 108.800 0.026 0.000 2.148 13 G HA2 -0.265 3.695 3.960 0.001 0.000 0.254 13 G HA3 -0.265 3.695 3.960 0.001 0.000 0.254 13 G C 0.158 175.084 174.900 0.044 0.000 0.981 13 G CA 0.178 45.300 45.100 0.036 0.000 0.670 13 G HN 0.612 nan 8.290 nan 0.000 0.528 14 R N -1.114 119.404 120.500 0.031 0.000 2.843 14 R HA 0.749 5.089 4.340 0.001 0.000 0.232 14 R C 0.091 176.439 176.300 0.080 0.000 1.305 14 R CA -0.482 55.609 56.100 -0.014 0.000 1.096 14 R CB 0.703 30.949 30.300 -0.091 0.000 1.455 14 R HN 0.510 nan 8.270 nan 0.000 0.520 15 Y N -1.762 118.589 120.300 0.085 0.000 2.605 15 Y HA 0.682 5.232 4.550 0.001 0.000 0.343 15 Y C -1.357 174.645 175.900 0.169 0.000 1.036 15 Y CA -1.821 56.350 58.100 0.118 0.000 1.065 15 Y CB 1.179 39.687 38.460 0.081 0.000 1.288 15 Y HN 0.415 nan 8.280 nan 0.000 0.481 16 F N 1.530 121.727 119.950 0.412 0.000 2.659 16 F HA 0.764 5.291 4.527 0.001 0.000 0.342 16 F C -0.052 176.077 175.800 0.550 0.000 1.168 16 F CA -0.755 57.476 58.000 0.385 0.000 1.003 16 F CB 1.414 40.544 39.000 0.217 0.000 1.267 16 F HN 0.964 nan 8.300 nan 0.000 0.463 17 G N 1.865 110.949 108.800 0.473 0.000 2.932 17 G HA2 0.645 4.605 3.960 0.001 0.000 0.283 17 G HA3 0.645 4.605 3.960 0.001 0.000 0.283 17 G C -1.249 173.628 174.900 -0.038 0.000 1.336 17 G CA -0.661 44.631 45.100 0.320 0.000 1.056 17 G HN 0.598 nan 8.290 nan 0.000 0.522 18 T N -2.133 112.195 114.554 -0.377 0.000 2.787 18 T HA 0.631 4.981 4.350 0.001 0.000 0.297 18 T C -1.032 173.438 174.700 -0.385 0.000 1.221 18 T CA 0.204 61.958 62.100 -0.576 0.000 1.006 18 T CB 1.326 69.393 68.868 -1.335 0.000 1.328 18 T HN 1.250 nan 8.240 nan 0.000 0.509 19 A N 2.463 125.005 122.820 -0.463 0.000 2.290 19 A HA 0.730 5.050 4.320 0.001 0.000 0.310 19 A C -0.536 176.783 177.584 -0.441 0.000 1.202 19 A CA -0.579 51.084 52.037 -0.624 0.000 0.837 19 A CB 0.147 18.292 19.000 -1.426 0.000 1.139 19 A HN 0.652 nan 8.150 nan 0.000 0.509 20 I N 1.672 122.054 120.570 -0.313 0.000 2.441 20 I HA 0.520 4.691 4.170 0.001 0.000 0.295 20 I C 0.428 176.449 176.117 -0.160 0.000 0.994 20 I CA -0.298 60.893 61.300 -0.182 0.000 1.144 20 I CB 1.458 39.349 38.000 -0.183 0.000 1.314 20 I HN 0.713 nan 8.210 nan 0.000 0.445 21 A N 4.027 126.776 122.820 -0.120 0.000 2.287 21 A HA 0.465 4.786 4.320 0.001 0.000 0.317 21 A C 0.989 178.464 177.584 -0.182 0.000 1.220 21 A CA -0.291 51.649 52.037 -0.162 0.000 0.835 21 A CB 0.762 19.641 19.000 -0.202 0.000 1.180 21 A HN 0.827 nan 8.150 nan 0.000 0.500 22 S N 2.483 118.110 115.700 -0.121 0.000 2.400 22 S HA -0.142 4.328 4.470 0.001 0.000 0.232 22 S C 1.787 176.302 174.600 -0.141 0.000 1.025 22 S CA 1.631 59.765 58.200 -0.110 0.000 0.993 22 S CB -0.605 62.577 63.200 -0.029 0.000 0.808 22 S HN 1.228 nan 8.310 nan 0.000 0.478 23 G N 1.514 110.225 108.800 -0.148 0.000 2.470 23 G HA2 -0.097 3.863 3.960 0.001 0.000 0.220 23 G HA3 -0.097 3.863 3.960 0.001 0.000 0.220 23 G C 1.423 176.182 174.900 -0.235 0.000 1.121 23 G CA 0.550 45.558 45.100 -0.154 0.000 0.766 23 G HN 0.623 nan 8.290 nan 0.000 0.553 24 K N -0.304 119.862 120.400 -0.389 0.000 2.374 24 K HA 0.348 4.669 4.320 0.001 0.000 0.196 24 K C 1.757 178.091 176.600 -0.442 0.000 1.023 24 K CA -0.342 55.587 56.287 -0.596 0.000 1.103 24 K CB 0.233 31.949 32.500 -1.306 0.000 0.848 24 K HN 0.209 nan 8.250 nan 0.000 0.528 25 L N 0.327 121.377 121.223 -0.288 0.000 2.642 25 L HA -0.084 4.257 4.340 0.001 0.000 0.236 25 L C 1.871 178.682 176.870 -0.098 0.000 1.169 25 L CA 0.831 55.541 54.840 -0.215 0.000 0.851 25 L CB -0.279 41.616 42.059 -0.273 0.000 0.968 25 L HN 0.326 nan 8.230 nan 0.000 0.453 26 G N -1.859 106.884 108.800 -0.095 0.000 2.796 26 G HA2 -0.119 3.841 3.960 0.001 0.000 0.210 26 G HA3 -0.119 3.841 3.960 0.001 0.000 0.210 26 G C 0.406 175.290 174.900 -0.026 0.000 1.146 26 G CA -0.230 44.845 45.100 -0.042 0.000 0.779 26 G HN 0.176 nan 8.290 nan 0.000 0.535 27 D N 0.931 121.301 120.400 -0.051 0.000 2.338 27 D HA 0.155 4.795 4.640 0.001 0.000 0.255 27 D C 1.462 177.796 176.300 0.057 0.000 1.237 27 D CA -0.009 53.983 54.000 -0.013 0.000 0.883 27 D CB 1.345 42.111 40.800 -0.057 0.000 1.087 27 D HN 0.001 nan 8.370 nan 0.000 0.485 28 S N 3.132 118.860 115.700 0.046 0.000 2.382 28 S HA -0.175 4.296 4.470 0.001 0.000 0.228 28 S C 1.876 176.512 174.600 0.060 0.000 1.027 28 S CA 1.411 59.646 58.200 0.058 0.000 0.991 28 S CB 0.018 63.241 63.200 0.039 0.000 0.823 28 S HN 0.611 nan 8.310 nan 0.000 0.469 29 A N -0.167 122.684 122.820 0.053 0.000 1.930 29 A HA -0.010 4.310 4.320 0.001 0.000 0.217 29 A C 1.949 179.562 177.584 0.048 0.000 1.175 29 A CA 1.478 53.536 52.037 0.036 0.000 0.627 29 A CB -1.017 18.001 19.000 0.031 0.000 0.815 29 A HN 0.725 nan 8.150 nan 0.000 0.443 30 Y N 1.817 122.079 120.300 -0.063 0.000 2.089 30 Y HA -0.247 4.303 4.550 0.001 0.000 0.282 30 Y C 2.966 178.824 175.900 -0.070 0.000 1.139 30 Y CA 2.818 60.864 58.100 -0.090 0.000 1.123 30 Y CB -0.766 37.624 38.460 -0.117 0.000 0.980 30 Y HN 0.429 nan 8.280 nan 0.000 0.493 31 T N -3.477 111.125 114.554 0.079 0.000 2.833 31 T HA -0.168 4.182 4.350 0.001 0.000 0.269 31 T C 1.819 176.594 174.700 0.124 0.000 1.054 31 T CA 1.762 63.918 62.100 0.093 0.000 1.135 31 T CB -1.098 67.908 68.868 0.231 0.000 0.869 31 T HN 0.360 nan 8.240 nan 0.000 0.466 32 T N 2.073 116.659 114.554 0.053 0.000 2.720 32 T HA 0.066 4.417 4.350 0.001 0.000 0.268 32 T C 1.873 176.552 174.700 -0.035 0.000 1.037 32 T CA 1.449 63.561 62.100 0.021 0.000 1.144 32 T CB -0.418 68.448 68.868 -0.003 0.000 0.864 32 T HN 0.434 nan 8.240 nan 0.000 0.444 33 I N 1.028 121.523 120.570 -0.125 0.000 2.233 33 I HA -0.099 4.071 4.170 0.001 0.000 0.243 33 I C 2.941 178.990 176.117 -0.114 0.000 1.093 33 I CA 1.006 62.156 61.300 -0.251 0.000 1.380 33 I CB -0.510 37.174 38.000 -0.527 0.000 1.067 33 I HN 0.170 nan 8.210 nan 0.000 0.413 34 A N 0.976 123.766 122.820 -0.049 0.000 1.908 34 A HA -0.239 4.081 4.320 0.001 0.000 0.218 34 A C 2.502 180.324 177.584 0.396 0.000 1.181 34 A CA 2.391 54.562 52.037 0.224 0.000 0.627 34 A CB -0.891 18.049 19.000 -0.099 0.000 0.818 34 A HN 0.539 nan 8.150 nan 0.000 0.445 35 S N -0.639 115.255 115.700 0.323 0.000 2.406 35 S HA -0.142 4.329 4.470 0.001 0.000 0.228 35 S C 2.024 176.641 174.600 0.028 0.000 1.020 35 S CA 1.161 59.434 58.200 0.122 0.000 0.965 35 S CB -0.352 62.875 63.200 0.045 0.000 0.798 35 S HN 0.641 nan 8.310 nan 0.000 0.488 36 R N 0.914 121.425 120.500 0.017 0.000 2.080 36 R HA 0.076 4.417 4.340 0.001 0.000 0.222 36 R C 1.821 178.080 176.300 -0.069 0.000 1.107 36 R CA 1.173 57.254 56.100 -0.031 0.000 0.980 36 R CB -0.036 30.239 30.300 -0.042 0.000 0.879 36 R HN 0.365 nan 8.270 nan 0.000 0.439 37 E N -0.353 119.752 120.200 -0.158 0.000 2.250 37 E HA 0.020 4.370 4.350 0.001 0.000 0.192 37 E C -0.198 176.089 176.600 -0.522 0.000 0.986 37 E CA 0.526 56.684 56.400 -0.402 0.000 0.849 37 E CB 0.261 29.554 29.700 -0.678 0.000 0.797 37 E HN 0.138 nan 8.360 nan 0.000 0.482 38 F N 1.553 121.579 119.950 0.127 0.000 2.492 38 F HA 0.242 4.769 4.527 0.001 0.000 0.327 38 F C 1.015 176.880 175.800 0.108 0.000 1.079 38 F CA -1.095 57.007 58.000 0.171 0.000 0.967 38 F CB 0.912 40.024 39.000 0.186 0.000 1.169 38 F HN -0.179 nan 8.300 nan 0.000 0.472 39 N N 0.838 119.724 118.700 0.311 0.000 2.238 39 N HA 0.310 5.051 4.740 0.001 0.000 0.235 39 N C -0.723 174.844 175.510 0.096 0.000 1.209 39 N CA -0.090 53.055 53.050 0.160 0.000 0.879 39 N CB 0.734 39.300 38.487 0.131 0.000 1.136 39 N HN 0.581 nan 8.380 nan 0.000 0.517 40 M N 0.425 120.095 119.600 0.117 0.000 2.433 40 M HA 0.583 5.064 4.480 0.001 0.000 0.290 40 M C -2.190 174.091 176.300 -0.032 0.000 1.173 40 M CA -0.834 54.418 55.300 -0.080 0.000 0.905 40 M CB 2.404 34.801 32.600 -0.338 0.000 1.692 40 M HN -0.161 nan 8.290 nan 0.000 0.462 41 V N 2.818 122.681 119.914 -0.085 0.000 2.789 41 V HA 0.792 4.912 4.120 0.001 0.000 0.311 41 V C -0.784 175.250 176.094 -0.101 0.000 1.073 41 V CA -0.541 61.722 62.300 -0.061 0.000 0.921 41 V CB 2.583 34.428 31.823 0.037 0.000 1.009 41 V HN 0.895 nan 8.190 nan 0.000 0.426 42 T N 3.261 117.748 114.554 -0.113 0.000 2.824 42 T HA 0.644 4.995 4.350 0.001 0.000 0.282 42 T C -0.044 174.586 174.700 -0.118 0.000 0.993 42 T CA -0.282 61.762 62.100 -0.095 0.000 0.967 42 T CB 1.664 70.524 68.868 -0.014 0.000 0.960 42 T HN 0.955 nan 8.240 nan 0.000 0.441 43 A N 2.140 124.931 122.820 -0.050 0.000 2.404 43 A HA 0.279 4.600 4.320 0.001 0.000 0.273 43 A C 1.382 178.960 177.584 -0.010 0.000 1.144 43 A CA -0.337 51.685 52.037 -0.025 0.000 0.806 43 A CB -0.065 18.961 19.000 0.044 0.000 1.080 43 A HN 1.068 nan 8.150 nan 0.000 0.509 44 E N 2.385 122.496 120.200 -0.148 0.000 2.118 44 E HA -0.200 4.151 4.350 0.001 0.000 0.195 44 E C 0.786 177.452 176.600 0.109 0.000 0.992 44 E CA 1.932 58.221 56.400 -0.186 0.000 0.804 44 E CB 0.076 29.564 29.700 -0.354 0.000 0.741 44 E HN 0.806 nan 8.360 nan 0.000 0.458 45 N N -1.342 117.421 118.700 0.104 0.000 2.113 45 N HA -0.023 4.717 4.740 0.001 0.000 0.236 45 N C 0.969 176.576 175.510 0.162 0.000 1.263 45 N CA 0.245 53.392 53.050 0.161 0.000 0.831 45 N CB 0.214 38.767 38.487 0.111 0.000 1.259 45 N HN -0.024 nan 8.380 nan 0.000 0.469 46 E N 1.049 121.329 120.200 0.133 0.000 2.273 46 E HA -0.017 4.334 4.350 0.001 0.000 0.198 46 E C 1.119 177.856 176.600 0.229 0.000 1.002 46 E CA 1.108 57.604 56.400 0.159 0.000 0.828 46 E CB -0.110 29.675 29.700 0.140 0.000 0.747 46 E HN 0.394 nan 8.360 nan 0.000 0.491 47 M N -0.194 119.552 119.600 0.243 0.000 2.405 47 M HA 0.147 4.627 4.480 0.001 0.000 0.292 47 M C -0.024 176.479 176.300 0.338 0.000 1.111 47 M CA -0.106 55.389 55.300 0.325 0.000 0.979 47 M CB 0.576 33.345 32.600 0.281 0.000 1.426 47 M HN -0.155 nan 8.290 nan 0.000 0.509 48 K N 0.568 121.128 120.400 0.268 0.000 2.132 48 K HA 0.249 4.570 4.320 0.001 0.000 0.240 48 K C 1.113 177.867 176.600 0.257 0.000 1.036 48 K CA -0.224 56.209 56.287 0.244 0.000 0.888 48 K CB 1.201 33.840 32.500 0.231 0.000 1.071 48 K HN 0.080 nan 8.250 nan 0.000 0.502 49 I N 1.257 121.928 120.570 0.168 0.000 2.179 49 I HA -0.309 3.862 4.170 0.001 0.000 0.242 49 I C 2.027 178.158 176.117 0.022 0.000 1.088 49 I CA 1.474 62.773 61.300 -0.003 0.000 1.357 49 I CB -0.451 37.385 38.000 -0.273 0.000 1.051 49 I HN 0.743 nan 8.210 nan 0.000 0.409 50 D N 1.583 121.976 120.400 -0.012 0.000 2.264 50 D HA -0.139 4.501 4.640 0.001 0.000 0.208 50 D C 1.872 178.213 176.300 0.068 0.000 0.966 50 D CA 1.372 55.367 54.000 -0.008 0.000 0.864 50 D CB -0.070 40.697 40.800 -0.055 0.000 0.933 50 D HN 0.375 nan 8.370 nan 0.000 0.499 51 A N 0.521 123.409 122.820 0.112 0.000 2.030 51 A HA 0.041 4.362 4.320 0.001 0.000 0.215 51 A C 2.199 179.864 177.584 0.135 0.000 1.164 51 A CA 1.335 53.445 52.037 0.122 0.000 0.697 51 A CB -0.378 18.708 19.000 0.143 0.000 0.827 51 A HN 0.394 nan 8.150 nan 0.000 0.457 52 T N -3.237 111.443 114.554 0.210 0.000 3.014 52 T HA 0.223 4.573 4.350 0.001 0.000 0.250 52 T C 0.495 175.289 174.700 0.157 0.000 1.060 52 T CA 0.691 62.899 62.100 0.180 0.000 1.040 52 T CB 0.121 69.224 68.868 0.392 0.000 0.971 52 T HN 0.428 nan 8.240 nan 0.000 0.497 53 E N 1.284 121.615 120.200 0.218 0.000 3.544 53 E HA 0.277 4.627 4.350 0.001 0.000 0.264 53 E C -2.459 174.269 176.600 0.214 0.000 1.225 53 E CA -1.740 54.717 56.400 0.095 0.000 1.045 53 E CB 1.208 31.046 29.700 0.229 0.000 1.338 53 E HN 0.035 nan 8.360 nan 0.000 0.395 54 P HA -0.164 nan 4.420 nan 0.000 0.216 54 P C -0.074 177.386 177.300 0.267 0.000 1.153 54 P CA 1.108 64.304 63.100 0.160 0.000 0.858 54 P CB 0.231 31.957 31.700 0.043 0.000 0.789 55 Q N -0.901 118.880 119.800 -0.032 0.000 2.353 55 Q HA 0.311 4.651 4.340 0.001 0.000 0.268 55 Q C -0.488 174.970 176.000 -0.903 0.000 1.045 55 Q CA -1.033 54.534 55.803 -0.393 0.000 0.811 55 Q CB 0.885 29.456 28.738 -0.278 0.000 1.305 55 Q HN -0.259 nan 8.270 nan 0.000 0.447 56 R N 2.094 121.496 120.500 -1.831 0.000 2.526 56 R HA 0.067 4.408 4.340 0.001 0.000 0.319 56 R C 0.525 176.284 176.300 -0.902 0.000 0.888 56 R CA 1.828 56.807 56.100 -1.869 0.000 1.127 56 R CB -0.939 28.451 30.300 -1.515 0.000 0.888 56 R HN 0.986 nan 8.270 nan 0.000 0.410 57 G N 3.616 111.948 108.800 -0.780 0.000 2.184 57 G HA2 -0.320 3.641 3.960 0.001 0.000 0.264 57 G HA3 -0.320 3.641 3.960 0.001 0.000 0.264 57 G C -0.017 174.547 174.900 -0.561 0.000 0.975 57 G CA 0.422 45.191 45.100 -0.552 0.000 0.642 57 G HN 0.615 nan 8.290 nan 0.000 0.536 58 Q N 0.135 119.566 119.800 -0.615 0.000 2.466 58 Q HA 0.575 4.915 4.340 0.001 0.000 0.242 58 Q C -0.622 175.100 176.000 -0.464 0.000 1.046 58 Q CA -0.590 54.968 55.803 -0.408 0.000 0.841 58 Q CB 0.490 29.058 28.738 -0.285 0.000 1.193 58 Q HN 0.302 nan 8.270 nan 0.000 0.508 59 F N 1.678 121.508 119.950 -0.199 0.000 2.412 59 F HA 0.245 4.772 4.527 0.001 0.000 0.348 59 F C 0.824 176.310 175.800 -0.523 0.000 1.102 59 F CA -0.402 57.355 58.000 -0.406 0.000 1.196 59 F CB 0.743 39.451 39.000 -0.487 0.000 1.144 59 F HN 0.369 nan 8.300 nan 0.000 0.541 60 N N 3.148 121.567 118.700 -0.468 0.000 2.461 60 N HA 0.226 4.966 4.740 0.001 0.000 0.284 60 N C -1.003 174.238 175.510 -0.449 0.000 1.049 60 N CA -0.293 52.550 53.050 -0.346 0.000 0.889 60 N CB 0.706 39.112 38.487 -0.135 0.000 1.365 60 N HN 0.383 nan 8.380 nan 0.000 0.499 61 F N 1.218 121.158 119.950 -0.018 0.000 2.668 61 F HA 0.290 4.817 4.527 0.001 0.000 0.301 61 F C 2.018 177.877 175.800 0.099 0.000 1.106 61 F CA -0.295 57.702 58.000 -0.004 0.000 1.289 61 F CB 0.314 39.104 39.000 -0.350 0.000 1.006 61 F HN 0.359 nan 8.300 nan 0.000 0.535 62 S N 0.944 116.761 115.700 0.195 0.000 2.359 62 S HA -0.278 4.192 4.470 0.001 0.000 0.222 62 S C 2.470 177.185 174.600 0.191 0.000 1.038 62 S CA 1.766 60.069 58.200 0.172 0.000 1.051 62 S CB -0.515 62.748 63.200 0.105 0.000 0.944 62 S HN 0.440 nan 8.310 nan 0.000 0.433 63 A N 1.255 124.179 122.820 0.172 0.000 1.898 63 A HA 0.145 4.465 4.320 0.001 0.000 0.216 63 A C 2.347 180.063 177.584 0.220 0.000 1.181 63 A CA 1.660 53.793 52.037 0.159 0.000 0.620 63 A CB -1.396 17.677 19.000 0.122 0.000 0.819 63 A HN 0.527 nan 8.150 nan 0.000 0.442 64 G N -0.194 108.793 108.800 0.312 0.000 2.418 64 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 64 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 64 G C 1.093 176.268 174.900 0.458 0.000 1.158 64 G CA 1.284 46.622 45.100 0.397 0.000 0.771 64 G HN 0.448 nan 8.290 nan 0.000 0.545 65 D N -0.410 120.290 120.400 0.500 0.000 2.219 65 D HA -0.010 4.631 4.640 0.001 0.000 0.205 65 D C 2.380 178.901 176.300 0.370 0.000 0.970 65 D CA 0.316 54.610 54.000 0.489 0.000 0.851 65 D CB -0.148 40.896 40.800 0.406 0.000 0.943 65 D HN 0.251 nan 8.370 nan 0.000 0.488 66 R N 0.315 120.981 120.500 0.276 0.000 2.092 66 R HA -0.079 4.262 4.340 0.001 0.000 0.231 66 R C 1.850 178.284 176.300 0.224 0.000 1.119 66 R CA 0.825 57.053 56.100 0.213 0.000 0.970 66 R CB -0.028 30.360 30.300 0.147 0.000 0.864 66 R HN 0.057 nan 8.270 nan 0.000 0.440 67 V N -0.018 120.024 119.914 0.214 0.000 2.379 67 V HA -0.217 3.903 4.120 0.001 0.000 0.245 67 V C 1.898 178.136 176.094 0.239 0.000 1.044 67 V CA 1.539 63.953 62.300 0.189 0.000 1.036 67 V CB -0.698 31.195 31.823 0.118 0.000 0.664 67 V HN 0.367 nan 8.190 nan 0.000 0.453 68 Y N 2.133 122.522 120.300 0.147 0.000 2.145 68 Y HA -0.223 4.327 4.550 0.001 0.000 0.286 68 Y C 2.495 178.472 175.900 0.127 0.000 1.145 68 Y CA 1.969 60.134 58.100 0.107 0.000 1.148 68 Y CB -0.386 38.165 38.460 0.152 0.000 0.981 68 Y HN 0.278 nan 8.280 nan 0.000 0.507 69 N N -0.464 118.284 118.700 0.080 0.000 2.120 69 N HA -0.234 4.506 4.740 0.001 0.000 0.188 69 N C 1.617 177.113 175.510 -0.024 0.000 1.024 69 N CA 1.616 54.653 53.050 -0.021 0.000 0.852 69 N CB -1.202 37.366 38.487 0.136 0.000 1.003 69 N HN 0.637 nan 8.380 nan 0.000 0.424 70 W N 2.109 123.371 121.300 -0.064 0.000 2.358 70 W HA -0.079 4.582 4.660 0.001 0.000 0.303 70 W C 2.377 178.837 176.519 -0.098 0.000 1.208 70 W CA 2.239 59.552 57.345 -0.053 0.000 1.274 70 W CB -0.360 29.094 29.460 -0.010 0.000 1.138 70 W HN 0.089 nan 8.180 nan 0.000 0.515 71 A N -0.052 122.821 122.820 0.088 0.000 1.851 71 A HA -0.239 4.082 4.320 0.001 0.000 0.216 71 A C 2.021 179.420 177.584 -0.309 0.000 1.195 71 A CA 2.839 54.821 52.037 -0.093 0.000 0.622 71 A CB -1.381 17.603 19.000 -0.028 0.000 0.831 71 A HN 0.179 nan 8.150 nan 0.000 0.444 72 V N 0.176 119.861 119.914 -0.383 0.000 2.332 72 V HA -0.273 3.847 4.120 0.001 0.000 0.248 72 V C 2.601 178.525 176.094 -0.284 0.000 1.055 72 V CA 2.051 64.138 62.300 -0.356 0.000 1.038 72 V CB -0.870 30.664 31.823 -0.481 0.000 0.651 72 V HN 0.554 nan 8.190 nan 0.000 0.450 73 Q N -0.039 119.583 119.800 -0.296 0.000 2.364 73 Q HA -0.066 4.275 4.340 0.001 0.000 0.207 73 Q C 1.404 177.207 176.000 -0.329 0.000 0.970 73 Q CA 0.840 56.486 55.803 -0.260 0.000 0.888 73 Q CB -0.328 28.275 28.738 -0.224 0.000 0.951 73 Q HN 0.666 nan 8.270 nan 0.000 0.469 74 N N -0.777 117.644 118.700 -0.466 0.000 2.234 74 N HA 0.114 4.854 4.740 0.001 0.000 0.227 74 N C 0.301 175.619 175.510 -0.320 0.000 1.151 74 N CA 0.618 53.372 53.050 -0.494 0.000 0.865 74 N CB 1.411 39.340 38.487 -0.932 0.000 1.066 74 N HN 0.270 nan 8.380 nan 0.000 0.515 75 G N 1.333 109.990 108.800 -0.239 0.000 2.147 75 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 75 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 75 G C -0.202 174.629 174.900 -0.116 0.000 1.005 75 G CA 0.242 45.252 45.100 -0.150 0.000 0.713 75 G HN 0.261 nan 8.290 nan 0.000 0.515 76 K N 0.069 120.383 120.400 -0.144 0.000 2.259 76 K HA 0.656 4.977 4.320 0.001 0.000 0.249 76 K C 0.542 177.076 176.600 -0.109 0.000 0.942 76 K CA -0.660 55.574 56.287 -0.089 0.000 0.816 76 K CB 1.640 34.113 32.500 -0.045 0.000 1.155 76 K HN 0.329 nan 8.250 nan 0.000 0.428 77 Q N 0.364 120.103 119.800 -0.103 0.000 2.308 77 Q HA 0.518 4.858 4.340 0.001 0.000 0.207 77 Q C -0.640 175.278 176.000 -0.137 0.000 1.035 77 Q CA -0.854 54.879 55.803 -0.116 0.000 1.008 77 Q CB 1.190 29.847 28.738 -0.135 0.000 1.168 77 Q HN 0.238 nan 8.270 nan 0.000 0.565 78 V N 0.691 120.526 119.914 -0.133 0.000 2.789 78 V HA 0.425 4.546 4.120 0.001 0.000 0.311 78 V C -0.759 175.182 176.094 -0.256 0.000 1.073 78 V CA -0.843 61.362 62.300 -0.158 0.000 0.921 78 V CB 2.026 33.808 31.823 -0.068 0.000 1.009 78 V HN 0.637 nan 8.190 nan 0.000 0.426 79 R N 1.971 122.309 120.500 -0.271 0.000 2.346 79 R HA 0.595 4.936 4.340 0.001 0.000 0.311 79 R C 0.273 176.312 176.300 -0.435 0.000 0.983 79 R CA -0.482 55.435 56.100 -0.305 0.000 0.880 79 R CB 1.856 32.047 30.300 -0.181 0.000 1.100 79 R HN 0.918 nan 8.270 nan 0.000 0.453 80 G N 1.561 109.877 108.800 -0.806 0.000 2.355 80 G HA2 0.194 4.154 3.960 0.001 0.000 0.276 80 G HA3 0.194 4.154 3.960 0.001 0.000 0.276 80 G C -0.961 173.771 174.900 -0.279 0.000 1.198 80 G CA 0.018 44.320 45.100 -1.330 0.000 0.876 80 G HN 0.657 nan 8.290 nan 0.000 0.478 81 H N 0.313 119.329 119.070 -0.090 0.000 3.181 81 H HA 0.596 5.152 4.556 0.001 0.000 0.331 81 H C -0.737 174.720 175.328 0.215 0.000 0.988 81 H CA -0.283 55.825 56.048 0.101 0.000 1.449 81 H CB 1.983 31.762 29.762 0.029 0.000 1.749 81 H HN 0.646 nan 8.280 nan 0.000 0.501 82 T N 4.182 118.709 114.554 -0.045 0.000 2.868 82 T HA 0.293 4.644 4.350 0.001 0.000 0.306 82 T C 0.429 175.228 174.700 0.164 0.000 1.224 82 T CA -0.654 61.425 62.100 -0.035 0.000 1.012 82 T CB 1.178 69.703 68.868 -0.572 0.000 1.221 82 T HN 0.539 nan 8.240 nan 0.000 0.499 83 L N 1.579 122.887 121.223 0.142 0.000 2.168 83 L HA 0.550 4.890 4.340 0.001 0.000 0.203 83 L C 1.222 178.210 176.870 0.197 0.000 1.078 83 L CA 0.290 55.214 54.840 0.139 0.000 0.780 83 L CB -0.130 41.884 42.059 -0.075 0.000 0.939 83 L HN 0.676 nan 8.230 nan 0.000 0.451 84 A N -1.044 121.886 122.820 0.183 0.000 2.335 84 A HA 0.547 4.867 4.320 0.001 0.000 0.304 84 A C -2.004 175.818 177.584 0.397 0.000 1.118 84 A CA -0.178 52.025 52.037 0.277 0.000 0.757 84 A CB 0.857 20.084 19.000 0.378 0.000 1.188 84 A HN 0.198 nan 8.150 nan 0.000 0.460 85 W N 3.985 125.326 121.300 0.068 0.000 3.479 85 W HA 0.357 5.018 4.660 0.001 0.000 0.304 85 W C 0.558 177.042 176.519 -0.058 0.000 1.243 85 W CA -0.873 56.499 57.345 0.045 0.000 1.202 85 W CB 0.861 30.283 29.460 -0.062 0.000 1.346 85 W HN 0.821 nan 8.180 nan 0.000 0.539 86 H N 1.171 120.232 119.070 -0.014 0.000 2.524 86 H HA 0.133 4.689 4.556 0.001 0.000 0.282 86 H C 0.129 175.147 175.328 -0.516 0.000 1.016 86 H CA 1.011 56.912 56.048 -0.245 0.000 1.270 86 H CB 0.107 29.798 29.762 -0.120 0.000 1.394 86 H HN 0.090 nan 8.280 nan 0.000 0.568 87 S N 0.219 114.848 115.700 -1.784 0.000 2.608 87 S HA 0.180 4.651 4.470 0.001 0.000 0.291 87 S C -0.027 173.847 174.600 -1.210 0.000 1.146 87 S CA -0.481 56.753 58.200 -1.611 0.000 1.043 87 S CB 0.814 62.757 63.200 -2.096 0.000 1.037 87 S HN 0.545 nan 8.310 nan 0.000 0.520 88 Q N 0.671 120.040 119.800 -0.718 0.000 2.475 88 Q HA -0.197 4.143 4.340 0.001 0.000 0.280 88 Q C -0.524 175.279 176.000 -0.328 0.000 1.234 88 Q CA 0.660 56.213 55.803 -0.416 0.000 0.873 88 Q CB -1.512 27.043 28.738 -0.305 0.000 1.256 88 Q HN 0.714 nan 8.270 nan 0.000 0.475 89 Q N 0.283 119.860 119.800 -0.370 0.000 2.306 89 Q HA 0.330 4.670 4.340 0.001 0.000 0.241 89 Q C -2.134 173.633 176.000 -0.388 0.000 0.948 89 Q CA -1.778 53.794 55.803 -0.384 0.000 0.886 89 Q CB 0.475 28.968 28.738 -0.409 0.000 1.227 89 Q HN 0.027 nan 8.270 nan 0.000 0.457 90 P HA -0.061 nan 4.420 nan 0.000 0.271 90 P C 0.568 177.573 177.300 -0.492 0.000 1.233 90 P CA 0.065 62.873 63.100 -0.485 0.000 0.789 90 P CB 0.387 31.662 31.700 -0.708 0.000 0.951 91 G N 0.843 109.494 108.800 -0.248 0.000 2.446 91 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 91 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 91 G C 1.248 176.068 174.900 -0.134 0.000 1.168 91 G CA 0.510 45.525 45.100 -0.142 0.000 0.771 91 G HN 0.720 nan 8.290 nan 0.000 0.551 92 W N 0.228 121.482 121.300 -0.078 0.000 2.363 92 W HA -0.013 4.648 4.660 0.001 0.000 0.296 92 W C 2.166 178.638 176.519 -0.079 0.000 1.212 92 W CA 1.084 58.384 57.345 -0.075 0.000 1.260 92 W CB -1.055 28.357 29.460 -0.079 0.000 1.131 92 W HN 0.285 nan 8.180 nan 0.000 0.530 93 M N 1.589 120.640 119.600 -0.915 0.000 2.229 93 M HA -0.200 4.281 4.480 0.001 0.000 0.264 93 M C 2.401 178.477 176.300 -0.373 0.000 1.063 93 M CA 1.863 56.698 55.300 -0.775 0.000 1.114 93 M CB -0.259 31.616 32.600 -1.209 0.000 1.387 93 M HN 0.039 nan 8.290 nan 0.000 0.420 94 Q N -0.484 119.114 119.800 -0.337 0.000 2.170 94 Q HA -0.064 4.276 4.340 0.001 0.000 0.203 94 Q C 0.609 176.530 176.000 -0.132 0.000 0.976 94 Q CA 1.297 56.970 55.803 -0.218 0.000 0.858 94 Q CB 0.039 28.660 28.738 -0.195 0.000 0.907 94 Q HN 0.407 nan 8.270 nan 0.000 0.433 95 S N 0.878 116.524 115.700 -0.089 0.000 3.149 95 S HA 0.308 4.778 4.470 0.001 0.000 0.228 95 S C -0.319 174.275 174.600 -0.010 0.000 1.393 95 S CA 0.076 58.256 58.200 -0.034 0.000 1.224 95 S CB -0.184 63.016 63.200 0.000 0.000 1.112 95 S HN 0.150 nan 8.310 nan 0.000 0.502 96 L N 0.070 121.272 121.223 -0.036 0.000 2.469 96 L HA 0.645 4.985 4.340 0.001 0.000 0.256 96 L C -0.382 176.463 176.870 -0.042 0.000 1.006 96 L CA -0.470 54.361 54.840 -0.015 0.000 0.832 96 L CB 2.405 44.474 42.059 0.016 0.000 1.421 96 L HN 0.165 nan 8.230 nan 0.000 0.410 97 S N -0.944 114.739 115.700 -0.028 0.000 2.672 97 S HA 0.802 5.272 4.470 0.001 0.000 0.271 97 S C -0.224 174.362 174.600 -0.023 0.000 1.171 97 S CA -0.042 58.133 58.200 -0.040 0.000 0.817 97 S CB 1.588 64.765 63.200 -0.039 0.000 1.150 97 S HN 1.224 nan 8.310 nan 0.000 0.478 98 G N 1.950 110.734 108.800 -0.026 0.000 2.622 98 G HA2 -0.296 3.665 3.960 0.001 0.000 0.272 98 G HA3 -0.296 3.665 3.960 0.001 0.000 0.272 98 G C 1.021 175.923 174.900 0.004 0.000 1.308 98 G CA 0.910 46.005 45.100 -0.009 0.000 0.919 98 G HN 1.790 nan 8.290 nan 0.000 0.565 99 S N -1.772 113.937 115.700 0.016 0.000 2.440 99 S HA -0.166 4.304 4.470 0.001 0.000 0.240 99 S C 2.152 176.771 174.600 0.032 0.000 1.014 99 S CA 2.653 60.870 58.200 0.028 0.000 0.980 99 S CB -0.692 62.524 63.200 0.027 0.000 0.775 99 S HN 1.076 nan 8.310 nan 0.000 0.499 100 T N 2.463 117.032 114.554 0.026 0.000 2.737 100 T HA 0.037 4.387 4.350 0.001 0.000 0.265 100 T C 1.648 176.378 174.700 0.049 0.000 1.038 100 T CA 1.360 63.482 62.100 0.036 0.000 1.144 100 T CB -0.526 68.360 68.868 0.031 0.000 0.866 100 T HN 0.345 nan 8.240 nan 0.000 0.434 101 L N 1.420 122.659 121.223 0.027 0.000 2.027 101 L HA 0.092 4.433 4.340 0.001 0.000 0.206 101 L C 2.444 179.333 176.870 0.032 0.000 1.074 101 L CA 1.693 56.542 54.840 0.015 0.000 0.745 101 L CB -0.584 41.448 42.059 -0.045 0.000 0.898 101 L HN -0.016 nan 8.230 nan 0.000 0.433 102 R N -0.428 120.091 120.500 0.032 0.000 2.139 102 R HA -0.231 4.109 4.340 0.001 0.000 0.243 102 R C 2.265 178.617 176.300 0.087 0.000 1.145 102 R CA 1.903 58.042 56.100 0.066 0.000 0.976 102 R CB -0.574 29.768 30.300 0.070 0.000 0.866 102 R HN 0.564 nan 8.270 nan 0.000 0.449 103 Q N -0.488 119.359 119.800 0.079 0.000 2.096 103 Q HA 0.150 4.491 4.340 0.001 0.000 0.197 103 Q C 1.873 177.945 176.000 0.119 0.000 0.964 103 Q CA 1.903 57.759 55.803 0.087 0.000 0.838 103 Q CB -0.408 28.371 28.738 0.069 0.000 0.906 103 Q HN 0.346 nan 8.270 nan 0.000 0.444 104 A N 0.791 123.693 122.820 0.138 0.000 1.908 104 A HA -0.207 4.114 4.320 0.001 0.000 0.218 104 A C 2.187 179.909 177.584 0.230 0.000 1.181 104 A CA 1.792 53.957 52.037 0.214 0.000 0.627 104 A CB -0.802 18.367 19.000 0.282 0.000 0.818 104 A HN 0.609 nan 8.150 nan 0.000 0.445 105 M N -0.316 119.382 119.600 0.163 0.000 2.073 105 M HA -0.184 4.297 4.480 0.001 0.000 0.258 105 M C 2.016 178.436 176.300 0.199 0.000 1.070 105 M CA 2.137 57.540 55.300 0.173 0.000 1.103 105 M CB -0.384 32.301 32.600 0.142 0.000 1.321 105 M HN 0.446 nan 8.290 nan 0.000 0.405 106 I N 0.482 121.146 120.570 0.156 0.000 2.208 106 I HA -0.345 3.825 4.170 0.001 0.000 0.245 106 I C 1.871 178.069 176.117 0.134 0.000 1.097 106 I CA 1.458 62.832 61.300 0.124 0.000 1.363 106 I CB -0.795 37.264 38.000 0.098 0.000 1.051 106 I HN 0.355 nan 8.210 nan 0.000 0.413 107 D N -0.393 120.113 120.400 0.176 0.000 2.117 107 D HA -0.231 4.410 4.640 0.001 0.000 0.197 107 D C 1.993 178.481 176.300 0.313 0.000 0.987 107 D CA 1.498 55.625 54.000 0.211 0.000 0.829 107 D CB -0.436 40.492 40.800 0.214 0.000 0.961 107 D HN 0.442 nan 8.370 nan 0.000 0.460 108 H N 0.793 120.035 119.070 0.286 0.000 2.321 108 H HA -0.010 4.547 4.556 0.001 0.000 0.300 108 H C 2.195 177.632 175.328 0.180 0.000 1.087 108 H CA 1.284 57.552 56.048 0.368 0.000 1.319 108 H CB -0.313 29.627 29.762 0.298 0.000 1.379 108 H HN 0.047 nan 8.280 nan 0.000 0.501 109 I N 0.231 120.849 120.570 0.080 0.000 2.208 109 I HA -0.298 3.873 4.170 0.001 0.000 0.245 109 I C 1.922 177.935 176.117 -0.172 0.000 1.097 109 I CA 1.252 62.492 61.300 -0.099 0.000 1.363 109 I CB -0.317 37.654 38.000 -0.048 0.000 1.051 109 I HN 0.393 nan 8.210 nan 0.000 0.413 110 N N 1.008 119.658 118.700 -0.084 0.000 2.216 110 N HA -0.088 4.652 4.740 0.001 0.000 0.183 110 N C 1.875 177.272 175.510 -0.189 0.000 1.017 110 N CA 1.476 54.464 53.050 -0.103 0.000 0.861 110 N CB -0.449 38.019 38.487 -0.032 0.000 0.986 110 N HN 0.416 nan 8.380 nan 0.000 0.428 111 G N 1.040 109.677 108.800 -0.273 0.000 2.414 111 G HA2 -0.148 3.812 3.960 0.001 0.000 0.215 111 G HA3 -0.148 3.812 3.960 0.001 0.000 0.215 111 G C 1.744 176.286 174.900 -0.598 0.000 1.188 111 G CA 0.740 45.409 45.100 -0.717 0.000 0.783 111 G HN 0.152 nan 8.290 nan 0.000 0.537 112 V N 1.152 120.797 119.914 -0.449 0.000 2.261 112 V HA -0.194 3.927 4.120 0.001 0.000 0.246 112 V C 2.917 178.958 176.094 -0.089 0.000 1.047 112 V CA 2.121 64.354 62.300 -0.112 0.000 1.015 112 V CB -0.503 31.238 31.823 -0.136 0.000 0.642 112 V HN 0.334 nan 8.190 nan 0.000 0.446 113 M N 0.270 119.717 119.600 -0.256 0.000 2.213 113 M HA -0.081 4.400 4.480 0.001 0.000 0.263 113 M C 2.233 178.476 176.300 -0.095 0.000 1.062 113 M CA 1.870 57.057 55.300 -0.189 0.000 1.105 113 M CB -0.804 31.593 32.600 -0.338 0.000 1.385 113 M HN 0.525 nan 8.290 nan 0.000 0.417 114 G N -0.925 107.782 108.800 -0.156 0.000 2.418 114 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 114 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 114 G C 1.171 175.956 174.900 -0.192 0.000 1.158 114 G CA 1.269 46.283 45.100 -0.144 0.000 0.771 114 G HN 0.470 nan 8.290 nan 0.000 0.545 115 H N -0.410 118.400 119.070 -0.434 0.000 2.353 115 H HA -0.050 4.506 4.556 0.001 0.000 0.300 115 H C 1.255 176.167 175.328 -0.695 0.000 1.090 115 H CA 1.293 56.903 56.048 -0.731 0.000 1.327 115 H CB -0.146 28.694 29.762 -1.535 0.000 1.383 115 H HN 0.412 nan 8.280 nan 0.000 0.508 116 Y N 0.603 120.681 120.300 -0.369 0.000 2.571 116 Y HA 0.203 4.754 4.550 0.001 0.000 0.275 116 Y C 0.708 176.510 175.900 -0.163 0.000 1.179 116 Y CA -0.420 57.476 58.100 -0.340 0.000 1.242 116 Y CB -0.162 38.225 38.460 -0.122 0.000 1.126 116 Y HN 0.022 nan 8.280 nan 0.000 0.524 117 K N 0.688 121.066 120.400 -0.036 0.000 2.530 117 K HA 0.051 4.371 4.320 0.001 0.000 0.280 117 K C 1.330 177.934 176.600 0.007 0.000 1.004 117 K CA 1.283 57.573 56.287 0.005 0.000 1.071 117 K CB -0.100 32.376 32.500 -0.039 0.000 0.876 117 K HN 0.636 nan 8.250 nan 0.000 0.487 118 G N 3.646 112.477 108.800 0.050 0.000 2.196 118 G HA2 -0.323 3.638 3.960 0.001 0.000 0.268 118 G HA3 -0.323 3.638 3.960 0.001 0.000 0.268 118 G C 0.574 175.501 174.900 0.046 0.000 0.975 118 G CA 0.959 46.085 45.100 0.043 0.000 0.648 118 G HN 0.761 nan 8.290 nan 0.000 0.538 119 K N -0.799 119.625 120.400 0.040 0.000 2.360 119 K HA 0.337 4.658 4.320 0.001 0.000 0.196 119 K C 0.478 177.113 176.600 0.058 0.000 1.049 119 K CA -0.062 56.259 56.287 0.056 0.000 1.049 119 K CB 0.814 33.262 32.500 -0.087 0.000 0.881 119 K HN 0.312 nan 8.250 nan 0.000 0.542 120 I N 0.987 121.555 120.570 -0.003 0.000 2.354 120 I HA 0.181 4.352 4.170 0.001 0.000 0.292 120 I C 1.133 177.195 176.117 -0.093 0.000 0.989 120 I CA -0.254 60.957 61.300 -0.148 0.000 1.188 120 I CB 1.137 38.871 38.000 -0.442 0.000 1.342 120 I HN -0.021 nan 8.210 nan 0.000 0.457 121 A N 6.196 128.948 122.820 -0.114 0.000 1.898 121 A HA -0.037 4.284 4.320 0.001 0.000 0.216 121 A C 0.805 178.365 177.584 -0.040 0.000 1.181 121 A CA 1.137 53.138 52.037 -0.060 0.000 0.620 121 A CB 0.062 19.012 19.000 -0.084 0.000 0.819 121 A HN 0.781 nan 8.150 nan 0.000 0.442 122 Q N -3.144 116.584 119.800 -0.121 0.000 2.345 122 Q HA 0.481 4.821 4.340 0.001 0.000 0.275 122 Q C -2.030 173.889 176.000 -0.135 0.000 1.063 122 Q CA -0.356 55.424 55.803 -0.038 0.000 0.819 122 Q CB 2.098 30.831 28.738 -0.007 0.000 1.356 122 Q HN 0.538 nan 8.270 nan 0.000 0.418 123 W N 1.222 122.546 121.300 0.040 0.000 2.656 123 W HA 0.322 4.982 4.660 0.001 0.000 0.327 123 W C -0.712 175.823 176.519 0.027 0.000 1.041 123 W CA -0.446 56.913 57.345 0.024 0.000 1.229 123 W CB 1.717 31.184 29.460 0.011 0.000 1.397 123 W HN 0.451 nan 8.180 nan 0.000 0.479 124 D N 3.415 124.025 120.400 0.349 0.000 2.483 124 D HA 0.079 4.720 4.640 0.001 0.000 0.220 124 D C 1.171 177.560 176.300 0.149 0.000 1.173 124 D CA 0.198 54.309 54.000 0.185 0.000 0.964 124 D CB 1.164 42.050 40.800 0.144 0.000 1.046 124 D HN 0.095 nan 8.370 nan 0.000 0.517 125 V N 1.660 121.599 119.914 0.042 0.000 2.237 125 V HA -0.145 3.976 4.120 0.001 0.000 0.245 125 V C 1.142 177.155 176.094 -0.135 0.000 1.046 125 V CA 1.108 63.297 62.300 -0.186 0.000 1.007 125 V CB -0.008 31.402 31.823 -0.688 0.000 0.638 125 V HN 0.254 nan 8.190 nan 0.000 0.445 126 V N 0.618 120.480 119.914 -0.087 0.000 2.495 126 V HA 0.488 4.608 4.120 0.001 0.000 0.298 126 V C -0.653 175.456 176.094 0.025 0.000 1.031 126 V CA -0.664 61.700 62.300 0.106 0.000 0.871 126 V CB 1.703 33.663 31.823 0.229 0.000 0.988 126 V HN 0.470 nan 8.190 nan 0.000 0.432 127 N N 2.060 120.781 118.700 0.034 0.000 2.284 127 N HA 0.371 5.111 4.740 0.001 0.000 0.300 127 N C -0.431 175.137 175.510 0.096 0.000 1.047 127 N CA -0.536 52.382 53.050 -0.220 0.000 0.821 127 N CB 1.368 39.419 38.487 -0.727 0.000 1.337 127 N HN 0.733 nan 8.380 nan 0.000 0.482 128 E N 1.092 121.324 120.200 0.053 0.000 2.197 128 E HA -0.259 4.091 4.350 0.001 0.000 0.184 128 E C -0.158 176.753 176.600 0.519 0.000 1.439 128 E CA 0.554 57.163 56.400 0.348 0.000 0.688 128 E CB -1.159 28.935 29.700 0.657 0.000 1.090 128 E HN 0.582 nan 8.360 nan 0.000 0.341 129 A N 0.436 123.611 122.820 0.592 0.000 2.178 129 A HA 0.211 4.531 4.320 0.001 0.000 0.211 129 A C 0.292 178.015 177.584 0.232 0.000 1.157 129 A CA 0.323 52.677 52.037 0.528 0.000 0.780 129 A CB 0.329 19.658 19.000 0.548 0.000 0.828 129 A HN 0.250 nan 8.150 nan 0.000 0.476 130 F N -0.627 119.433 119.950 0.183 0.000 2.440 130 F HA 0.533 5.060 4.527 0.001 0.000 0.328 130 F C 0.985 176.789 175.800 0.006 0.000 1.070 130 F CA -0.845 57.199 58.000 0.073 0.000 1.011 130 F CB 1.421 40.451 39.000 0.051 0.000 1.226 130 F HN -0.062 nan 8.300 nan 0.000 0.491 131 S N 0.176 115.951 115.700 0.124 0.000 2.617 131 S HA 0.159 4.630 4.470 0.001 0.000 0.269 131 S C 0.375 175.003 174.600 0.046 0.000 1.292 131 S CA -0.543 57.689 58.200 0.053 0.000 1.010 131 S CB 0.461 63.673 63.200 0.019 0.000 0.944 131 S HN 0.618 nan 8.310 nan 0.000 0.536 132 D N 1.050 121.464 120.400 0.023 0.000 2.398 132 D HA 0.038 4.679 4.640 0.001 0.000 0.210 132 D C 0.920 177.209 176.300 -0.017 0.000 1.094 132 D CA 0.261 54.259 54.000 -0.002 0.000 0.839 132 D CB 0.057 40.884 40.800 0.046 0.000 0.963 132 D HN 0.758 nan 8.370 nan 0.000 0.506 133 D N 0.522 120.921 120.400 -0.002 0.000 2.265 133 D HA -0.088 4.553 4.640 0.001 0.000 0.208 133 D C 1.610 177.900 176.300 -0.016 0.000 0.977 133 D CA 1.364 55.358 54.000 -0.009 0.000 0.871 133 D CB -0.273 40.525 40.800 -0.002 0.000 0.925 133 D HN 0.212 nan 8.370 nan 0.000 0.485 134 G N -0.983 107.808 108.800 -0.014 0.000 2.168 134 G HA2 -0.269 3.692 3.960 0.001 0.000 0.197 134 G HA3 -0.269 3.692 3.960 0.001 0.000 0.197 134 G C 1.062 175.968 174.900 0.010 0.000 0.997 134 G CA 0.701 45.792 45.100 -0.015 0.000 0.658 134 G HN 0.648 nan 8.290 nan 0.000 0.513 135 S N -0.643 115.072 115.700 0.024 0.000 2.441 135 S HA 0.438 4.908 4.470 0.001 0.000 0.224 135 S C 2.127 176.762 174.600 0.059 0.000 1.043 135 S CA 1.498 59.718 58.200 0.033 0.000 0.948 135 S CB 0.307 63.523 63.200 0.027 0.000 0.810 135 S HN 2.292 nan 8.310 nan 0.000 0.504 136 G N 0.579 109.437 108.800 0.097 0.000 2.130 136 G HA2 0.080 4.040 3.960 0.001 0.000 0.216 136 G HA3 0.080 4.040 3.960 0.001 0.000 0.216 136 G C 0.219 175.280 174.900 0.269 0.000 0.999 136 G CA -0.158 45.041 45.100 0.165 0.000 0.686 136 G HN 1.079 nan 8.290 nan 0.000 0.515 137 G N -1.071 107.834 108.800 0.175 0.000 2.644 137 G HA2 0.697 4.657 3.960 0.001 0.000 0.307 137 G HA3 0.697 4.657 3.960 0.001 0.000 0.307 137 G C 0.111 174.892 174.900 -0.198 0.000 1.250 137 G CA -1.006 44.118 45.100 0.040 0.000 0.996 137 G HN 0.330 nan 8.290 nan 0.000 0.489 138 R N -0.181 120.069 120.500 -0.418 0.000 2.756 138 R HA 0.100 4.441 4.340 0.001 0.000 0.264 138 R C 0.804 176.988 176.300 -0.193 0.000 1.026 138 R CA -0.136 55.674 56.100 -0.482 0.000 1.121 138 R CB 0.296 30.435 30.300 -0.268 0.000 0.999 138 R HN 0.803 nan 8.270 nan 0.000 0.449 139 R N 0.005 120.428 120.500 -0.130 0.000 2.457 139 R HA 0.196 4.537 4.340 0.001 0.000 0.284 139 R C -0.604 175.648 176.300 -0.081 0.000 1.024 139 R CA -0.667 55.381 56.100 -0.088 0.000 1.025 139 R CB 0.610 30.842 30.300 -0.113 0.000 1.063 139 R HN 0.370 nan 8.270 nan 0.000 0.493 140 D N 1.803 122.154 120.400 -0.081 0.000 2.338 140 D HA 0.113 4.754 4.640 0.001 0.000 0.255 140 D C -0.986 175.252 176.300 -0.104 0.000 1.237 140 D CA 0.319 54.272 54.000 -0.077 0.000 0.883 140 D CB 0.630 41.394 40.800 -0.060 0.000 1.087 140 D HN 0.658 nan 8.370 nan 0.000 0.485 141 S N 2.576 118.203 115.700 -0.121 0.000 2.651 141 S HA 0.293 4.764 4.470 0.001 0.000 0.279 141 S C 1.060 175.548 174.600 -0.187 0.000 1.148 141 S CA -0.883 57.231 58.200 -0.143 0.000 0.837 141 S CB 1.102 64.219 63.200 -0.139 0.000 1.138 141 S HN 0.417 nan 8.310 nan 0.000 0.478 142 N N 1.090 119.677 118.700 -0.188 0.000 2.289 142 N HA -0.115 4.626 4.740 0.001 0.000 0.184 142 N C 1.469 176.799 175.510 -0.299 0.000 1.016 142 N CA 1.271 54.202 53.050 -0.200 0.000 0.872 142 N CB -0.859 37.522 38.487 -0.176 0.000 0.973 142 N HN 0.680 nan 8.380 nan 0.000 0.433 143 L N -0.174 120.768 121.223 -0.467 0.000 2.072 143 L HA -0.059 4.282 4.340 0.001 0.000 0.205 143 L C 2.794 179.014 176.870 -1.083 0.000 1.079 143 L CA 1.050 55.383 54.840 -0.845 0.000 0.752 143 L CB -0.510 40.762 42.059 -1.313 0.000 0.906 143 L HN 0.175 nan 8.230 nan 0.000 0.436 144 Q N 0.840 120.163 119.800 -0.796 0.000 2.167 144 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 144 Q C 2.037 177.948 176.000 -0.148 0.000 0.970 144 Q CA 1.517 57.121 55.803 -0.331 0.000 0.855 144 Q CB -0.056 28.662 28.738 -0.034 0.000 0.911 144 Q HN 0.272 nan 8.270 nan 0.000 0.438 145 R N -0.385 120.010 120.500 -0.174 0.000 2.323 145 R HA 0.012 4.353 4.340 0.001 0.000 0.198 145 R C 1.393 177.649 176.300 -0.074 0.000 0.988 145 R CA 1.151 57.195 56.100 -0.093 0.000 1.041 145 R CB -0.025 30.221 30.300 -0.090 0.000 0.926 145 R HN 0.426 nan 8.270 nan 0.000 0.476 146 T N -3.233 111.260 114.554 -0.101 0.000 3.060 146 T HA 0.242 4.593 4.350 0.001 0.000 0.249 146 T C 0.691 175.412 174.700 0.035 0.000 1.079 146 T CA 0.295 62.370 62.100 -0.042 0.000 1.013 146 T CB 1.007 69.837 68.868 -0.063 0.000 0.975 146 T HN 0.233 nan 8.240 nan 0.000 0.518 147 G N 0.989 109.836 108.800 0.078 0.000 2.350 147 G HA2 0.054 4.014 3.960 0.001 0.000 0.274 147 G HA3 0.054 4.014 3.960 0.001 0.000 0.274 147 G C -0.128 174.946 174.900 0.291 0.000 1.621 147 G CA -0.357 44.831 45.100 0.147 0.000 0.935 147 G HN 0.085 nan 8.290 nan 0.000 0.694 148 N N 0.911 119.745 118.700 0.223 0.000 2.334 148 N HA -0.137 4.603 4.740 0.001 0.000 0.187 148 N C 1.782 177.414 175.510 0.203 0.000 1.016 148 N CA 2.004 55.198 53.050 0.240 0.000 0.879 148 N CB 0.211 38.770 38.487 0.120 0.000 0.965 148 N HN 0.657 nan 8.380 nan 0.000 0.438 149 D N -0.496 120.015 120.400 0.185 0.000 2.328 149 D HA -0.110 4.531 4.640 0.001 0.000 0.226 149 D C 1.665 178.055 176.300 0.150 0.000 1.066 149 D CA -0.120 53.952 54.000 0.120 0.000 0.861 149 D CB -0.916 39.937 40.800 0.089 0.000 0.912 149 D HN 0.574 nan 8.370 nan 0.000 0.521 150 W N 1.273 122.630 121.300 0.095 0.000 2.363 150 W HA -0.099 4.561 4.660 0.001 0.000 0.296 150 W C 1.525 178.139 176.519 0.159 0.000 1.212 150 W CA 0.121 57.527 57.345 0.102 0.000 1.260 150 W CB -1.086 28.423 29.460 0.083 0.000 1.131 150 W HN -0.086 nan 8.180 nan 0.000 0.530 151 I N 1.386 121.559 120.570 -0.663 0.000 2.179 151 I HA -0.306 3.864 4.170 0.001 0.000 0.242 151 I C 2.808 179.016 176.117 0.151 0.000 1.088 151 I CA 2.258 63.287 61.300 -0.452 0.000 1.357 151 I CB -0.776 36.952 38.000 -0.452 0.000 1.051 151 I HN 0.031 nan 8.210 nan 0.000 0.409 152 E N 1.005 121.274 120.200 0.115 0.000 2.085 152 E HA -0.211 4.140 4.350 0.001 0.000 0.194 152 E C 2.303 178.927 176.600 0.041 0.000 0.994 152 E CA 1.713 58.077 56.400 -0.060 0.000 0.801 152 E CB 0.130 29.683 29.700 -0.246 0.000 0.743 152 E HN 0.288 nan 8.360 nan 0.000 0.453 153 V N 1.237 121.195 119.914 0.072 0.000 2.343 153 V HA -0.277 3.843 4.120 0.001 0.000 0.247 153 V C 2.490 178.645 176.094 0.102 0.000 1.051 153 V CA 1.774 64.127 62.300 0.089 0.000 1.036 153 V CB -0.890 31.009 31.823 0.126 0.000 0.654 153 V HN 0.428 nan 8.190 nan 0.000 0.451 154 A N -0.305 122.586 122.820 0.119 0.000 1.883 154 A HA -0.220 4.100 4.320 0.001 0.000 0.217 154 A C 2.051 179.608 177.584 -0.045 0.000 1.186 154 A CA 2.049 54.108 52.037 0.037 0.000 0.624 154 A CB -0.776 18.226 19.000 0.005 0.000 0.822 154 A HN 0.468 nan 8.150 nan 0.000 0.444 155 F N -0.274 119.701 119.950 0.042 0.000 2.186 155 F HA -0.094 4.433 4.527 0.001 0.000 0.299 155 F C 2.601 178.402 175.800 0.002 0.000 1.090 155 F CA 1.665 59.687 58.000 0.036 0.000 1.307 155 F CB -0.232 38.797 39.000 0.048 0.000 1.019 155 F HN 0.107 nan 8.300 nan 0.000 0.489 156 R N -0.667 119.923 120.500 0.150 0.000 2.092 156 R HA -0.101 4.240 4.340 0.001 0.000 0.231 156 R C 2.090 178.419 176.300 0.048 0.000 1.119 156 R CA 1.795 57.937 56.100 0.070 0.000 0.970 156 R CB -0.880 29.436 30.300 0.027 0.000 0.864 156 R HN 0.208 nan 8.270 nan 0.000 0.440 157 T N 0.950 115.527 114.554 0.038 0.000 2.737 157 T HA -0.125 4.226 4.350 0.001 0.000 0.265 157 T C 1.984 176.676 174.700 -0.013 0.000 1.038 157 T CA 1.420 63.529 62.100 0.014 0.000 1.144 157 T CB -0.274 68.604 68.868 0.016 0.000 0.866 157 T HN 0.362 nan 8.240 nan 0.000 0.434 158 A N 1.929 124.728 122.820 -0.035 0.000 1.883 158 A HA -0.167 4.153 4.320 0.001 0.000 0.217 158 A C 2.248 179.829 177.584 -0.006 0.000 1.186 158 A CA 2.192 54.185 52.037 -0.072 0.000 0.624 158 A CB -0.611 18.318 19.000 -0.118 0.000 0.822 158 A HN 0.351 nan 8.150 nan 0.000 0.444 159 R N 0.228 120.758 120.500 0.051 0.000 2.091 159 R HA -0.081 4.260 4.340 0.001 0.000 0.238 159 R C 2.071 178.393 176.300 0.036 0.000 1.136 159 R CA 2.119 58.258 56.100 0.065 0.000 0.959 159 R CB -0.852 29.496 30.300 0.080 0.000 0.856 159 R HN 0.403 nan 8.270 nan 0.000 0.437 160 A N -0.076 122.756 122.820 0.021 0.000 1.930 160 A HA 0.083 4.403 4.320 0.001 0.000 0.217 160 A C 2.333 179.916 177.584 -0.001 0.000 1.175 160 A CA 1.461 53.504 52.037 0.011 0.000 0.627 160 A CB -0.851 18.154 19.000 0.009 0.000 0.815 160 A HN 0.490 nan 8.150 nan 0.000 0.443 161 A N -1.277 121.532 122.820 -0.018 0.000 1.930 161 A HA 0.080 4.401 4.320 0.001 0.000 0.217 161 A C 0.840 178.411 177.584 -0.022 0.000 1.175 161 A CA 1.653 53.667 52.037 -0.037 0.000 0.627 161 A CB -0.032 18.919 19.000 -0.082 0.000 0.815 161 A HN 0.404 nan 8.150 nan 0.000 0.443 162 D N -2.346 118.055 120.400 0.001 0.000 2.351 162 D HA 0.193 4.833 4.640 0.001 0.000 0.235 162 D C -2.477 173.859 176.300 0.061 0.000 1.331 162 D CA -1.148 52.873 54.000 0.035 0.000 0.959 162 D CB 1.211 42.050 40.800 0.064 0.000 1.432 162 D HN 0.010 nan 8.370 nan 0.000 0.544 163 P HA 0.043 nan 4.420 nan 0.000 0.242 163 P C 0.886 178.228 177.300 0.070 0.000 1.197 163 P CA 0.232 63.368 63.100 0.060 0.000 0.765 163 P CB 0.450 32.176 31.700 0.043 0.000 0.936 164 A N 0.051 122.915 122.820 0.074 0.000 2.021 164 A HA 0.378 4.698 4.320 0.001 0.000 0.216 164 A C 1.486 179.127 177.584 0.097 0.000 1.163 164 A CA 0.496 52.577 52.037 0.074 0.000 0.676 164 A CB -0.675 18.363 19.000 0.063 0.000 0.818 164 A HN 0.300 nan 8.150 nan 0.000 0.453 165 A N 0.461 123.362 122.820 0.135 0.000 2.327 165 A HA 0.507 4.827 4.320 0.001 0.000 0.283 165 A C 0.009 177.700 177.584 0.178 0.000 1.127 165 A CA -0.504 51.637 52.037 0.173 0.000 0.810 165 A CB 0.167 19.354 19.000 0.311 0.000 1.066 165 A HN 0.375 nan 8.150 nan 0.000 0.492 166 K N 1.663 122.158 120.400 0.159 0.000 2.322 166 K HA 0.329 4.650 4.320 0.001 0.000 0.283 166 K C -0.970 175.769 176.600 0.231 0.000 1.042 166 K CA 0.220 56.608 56.287 0.168 0.000 0.958 166 K CB 0.535 33.117 32.500 0.138 0.000 0.984 166 K HN 0.575 nan 8.250 nan 0.000 0.473 167 L N 4.200 125.586 121.223 0.272 0.000 2.257 167 L HA 0.326 4.667 4.340 0.001 0.000 0.290 167 L C -0.367 176.778 176.870 0.460 0.000 1.044 167 L CA -0.899 54.169 54.840 0.380 0.000 0.810 167 L CB 0.886 43.230 42.059 0.475 0.000 1.193 167 L HN 0.661 nan 8.230 nan 0.000 0.425 168 c N 1.880 120.724 118.600 0.407 0.000 2.470 168 c HA 0.489 5.060 4.570 0.001 0.000 0.341 168 c C -0.227 174.136 174.090 0.456 0.000 1.190 168 c CA -0.929 55.614 56.329 0.357 0.000 1.904 168 c CB 1.487 44.105 42.510 0.180 0.000 2.354 168 c HN 0.627 nan 8.230 nan 0.000 0.509 169 Y N 2.311 122.778 120.300 0.279 0.000 2.331 169 Y HA 0.543 5.094 4.550 0.001 0.000 0.338 169 Y C -0.270 175.635 175.900 0.008 0.000 0.992 169 Y CA -0.364 57.878 58.100 0.235 0.000 1.121 169 Y CB 0.566 39.116 38.460 0.150 0.000 1.184 169 Y HN 0.789 nan 8.280 nan 0.000 0.469 170 N N 4.110 122.344 118.700 -0.776 0.000 2.314 170 N HA 0.457 5.198 4.740 0.001 0.000 0.304 170 N C -2.011 173.061 175.510 -0.730 0.000 1.073 170 N CA -0.296 52.390 53.050 -0.606 0.000 0.822 170 N CB 1.316 39.608 38.487 -0.324 0.000 1.280 170 N HN 0.779 nan 8.380 nan 0.000 0.489 171 D N 0.137 120.260 120.400 -0.463 0.000 2.694 171 D HA 0.210 4.850 4.640 0.001 0.000 0.260 171 D C -1.477 174.773 176.300 -0.083 0.000 1.250 171 D CA -0.285 53.562 54.000 -0.255 0.000 0.763 171 D CB 0.848 41.508 40.800 -0.232 0.000 1.311 171 D HN 0.418 nan 8.370 nan 0.000 0.420 172 Y N -0.399 119.896 120.300 -0.007 0.000 2.621 172 Y HA 0.532 5.082 4.550 0.001 0.000 0.334 172 Y C 0.658 176.638 175.900 0.133 0.000 1.074 172 Y CA -0.920 57.211 58.100 0.051 0.000 1.149 172 Y CB 0.553 39.082 38.460 0.115 0.000 1.302 172 Y HN 0.569 nan 8.280 nan 0.000 0.501 173 N N 0.766 119.656 118.700 0.317 0.000 2.735 173 N HA -0.218 4.523 4.740 0.001 0.000 0.248 173 N C -0.300 175.477 175.510 0.445 0.000 1.083 173 N CA 0.930 54.193 53.050 0.355 0.000 0.703 173 N CB -1.050 37.472 38.487 0.059 0.000 1.005 173 N HN 0.792 nan 8.380 nan 0.000 0.550 174 I N -4.231 116.588 120.570 0.415 0.000 3.813 174 I HA 0.279 4.450 4.170 0.001 0.000 0.323 174 I C 0.706 177.123 176.117 0.500 0.000 1.536 174 I CA -0.494 61.043 61.300 0.395 0.000 1.083 174 I CB 0.595 38.709 38.000 0.190 0.000 1.265 174 I HN -0.165 nan 8.210 nan 0.000 0.507 175 E N 1.184 121.631 120.200 0.412 0.000 2.140 175 E HA 0.076 4.427 4.350 0.001 0.000 0.191 175 E C 0.770 177.416 176.600 0.078 0.000 0.973 175 E CA 0.379 56.938 56.400 0.266 0.000 0.829 175 E CB 0.038 29.683 29.700 -0.091 0.000 0.781 175 E HN 0.363 nan 8.360 nan 0.000 0.466 176 N N 0.842 119.291 118.700 -0.418 0.000 2.411 176 N HA -0.077 4.664 4.740 0.001 0.000 0.259 176 N C 0.171 175.487 175.510 -0.324 0.000 1.103 176 N CA -0.059 52.535 53.050 -0.760 0.000 0.954 176 N CB 0.327 37.523 38.487 -2.153 0.000 1.085 176 N HN 0.289 nan 8.380 nan 0.000 0.485 177 W N 3.775 124.930 121.300 -0.242 0.000 2.350 177 W HA -0.210 4.450 4.660 0.001 0.000 0.289 177 W C 1.247 177.707 176.519 -0.099 0.000 1.215 177 W CA 1.969 59.250 57.345 -0.107 0.000 1.236 177 W CB 0.018 29.412 29.460 -0.109 0.000 1.130 177 W HN 0.622 nan 8.180 nan 0.000 0.541 178 T N -2.535 111.883 114.554 -0.226 0.000 3.085 178 T HA -0.112 4.239 4.350 0.001 0.000 0.263 178 T C 0.536 175.203 174.700 -0.055 0.000 1.127 178 T CA 0.059 62.037 62.100 -0.202 0.000 1.103 178 T CB -0.653 68.168 68.868 -0.077 0.000 0.921 178 T HN -0.059 nan 8.240 nan 0.000 0.510 179 W N 1.355 122.593 121.300 -0.103 0.000 2.190 179 W HA 0.667 5.327 4.660 0.001 0.000 0.330 179 W C 1.599 178.048 176.519 -0.116 0.000 1.299 179 W CA -1.459 55.844 57.345 -0.070 0.000 1.215 179 W CB 0.161 29.616 29.460 -0.009 0.000 1.147 179 W HN 0.235 nan 8.180 nan 0.000 0.563 180 A N 2.848 125.755 122.820 0.145 0.000 1.933 180 A HA -0.224 4.096 4.320 0.001 0.000 0.218 180 A C 2.091 179.705 177.584 0.049 0.000 1.175 180 A CA 1.805 53.869 52.037 0.045 0.000 0.628 180 A CB -0.466 18.557 19.000 0.038 0.000 0.814 180 A HN 0.699 nan 8.150 nan 0.000 0.444 181 K N -0.779 119.674 120.400 0.090 0.000 2.057 181 K HA -0.136 4.185 4.320 0.001 0.000 0.207 181 K C 2.013 178.622 176.600 0.015 0.000 1.049 181 K CA 1.836 58.164 56.287 0.068 0.000 0.931 181 K CB -0.349 32.189 32.500 0.064 0.000 0.714 181 K HN 0.451 nan 8.250 nan 0.000 0.440 182 T N 1.508 116.130 114.554 0.113 0.000 2.720 182 T HA -0.156 4.195 4.350 0.001 0.000 0.268 182 T C 1.794 176.507 174.700 0.023 0.000 1.037 182 T CA 1.224 63.407 62.100 0.138 0.000 1.144 182 T CB -0.156 68.806 68.868 0.158 0.000 0.864 182 T HN 0.278 nan 8.240 nan 0.000 0.444 183 Q N 0.424 120.141 119.800 -0.138 0.000 2.119 183 Q HA 0.019 4.360 4.340 0.001 0.000 0.201 183 Q C 2.730 178.693 176.000 -0.062 0.000 0.972 183 Q CA 1.558 57.248 55.803 -0.189 0.000 0.847 183 Q CB -1.038 27.560 28.738 -0.233 0.000 0.903 183 Q HN 0.626 nan 8.270 nan 0.000 0.433 184 G N 0.385 109.138 108.800 -0.079 0.000 2.433 184 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 184 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 184 G C 1.636 176.294 174.900 -0.404 0.000 1.186 184 G CA 1.046 46.095 45.100 -0.085 0.000 0.779 184 G HN 0.272 nan 8.290 nan 0.000 0.543 185 V N -0.037 119.472 119.914 -0.676 0.000 2.343 185 V HA -0.219 3.902 4.120 0.001 0.000 0.247 185 V C 2.288 178.280 176.094 -0.170 0.000 1.051 185 V CA 1.928 63.826 62.300 -0.670 0.000 1.036 185 V CB -0.706 30.908 31.823 -0.348 0.000 0.654 185 V HN 0.486 nan 8.190 nan 0.000 0.451 186 Y N 1.946 122.204 120.300 -0.070 0.000 2.097 186 Y HA -0.276 4.274 4.550 0.001 0.000 0.282 186 Y C 2.567 178.321 175.900 -0.242 0.000 1.152 186 Y CA 2.180 60.122 58.100 -0.263 0.000 1.136 186 Y CB -0.453 37.826 38.460 -0.302 0.000 0.975 186 Y HN 0.294 nan 8.280 nan 0.000 0.498 187 N N 0.150 118.768 118.700 -0.138 0.000 2.205 187 N HA -0.243 4.498 4.740 0.001 0.000 0.186 187 N C 2.026 177.390 175.510 -0.243 0.000 1.015 187 N CA 1.765 54.712 53.050 -0.171 0.000 0.862 187 N CB -0.523 37.948 38.487 -0.028 0.000 0.986 187 N HN 0.552 nan 8.380 nan 0.000 0.429 188 M N 0.518 119.944 119.600 -0.289 0.000 2.099 188 M HA -0.100 4.381 4.480 0.001 0.000 0.262 188 M C 1.656 177.580 176.300 -0.628 0.000 1.067 188 M CA 1.293 56.330 55.300 -0.439 0.000 1.124 188 M CB 0.062 32.358 32.600 -0.507 0.000 1.353 188 M HN -0.143 nan 8.290 nan 0.000 0.410 189 V N 0.583 120.173 119.914 -0.540 0.000 2.515 189 V HA -0.225 3.896 4.120 0.001 0.000 0.250 189 V C 2.625 178.548 176.094 -0.286 0.000 1.058 189 V CA 1.515 63.576 62.300 -0.399 0.000 1.064 189 V CB -1.050 30.652 31.823 -0.202 0.000 0.675 189 V HN 0.495 nan 8.190 nan 0.000 0.461 190 R N 0.302 120.555 120.500 -0.412 0.000 2.070 190 R HA -0.196 4.145 4.340 0.001 0.000 0.233 190 R C 2.148 178.357 176.300 -0.151 0.000 1.137 190 R CA 2.286 58.171 56.100 -0.358 0.000 0.945 190 R CB -0.711 29.290 30.300 -0.498 0.000 0.845 190 R HN 0.642 nan 8.270 nan 0.000 0.430 191 D N -0.352 119.986 120.400 -0.104 0.000 2.092 191 D HA -0.187 4.453 4.640 0.001 0.000 0.193 191 D C 1.874 178.260 176.300 0.145 0.000 0.994 191 D CA 1.346 55.362 54.000 0.027 0.000 0.828 191 D CB -0.193 40.648 40.800 0.069 0.000 0.963 191 D HN 0.058 nan 8.370 nan 0.000 0.450 192 F N 1.016 120.878 119.950 -0.146 0.000 2.087 192 F HA -0.172 4.356 4.527 0.001 0.000 0.299 192 F C 2.354 178.077 175.800 -0.128 0.000 1.100 192 F CA 1.072 58.980 58.000 -0.152 0.000 1.226 192 F CB -0.729 38.137 39.000 -0.223 0.000 0.983 192 F HN 0.019 nan 8.300 nan 0.000 0.479 193 K N 0.265 120.708 120.400 0.072 0.000 2.097 193 K HA -0.166 4.155 4.320 0.001 0.000 0.206 193 K C 2.000 178.594 176.600 -0.010 0.000 1.049 193 K CA 1.211 57.501 56.287 0.005 0.000 0.933 193 K CB -0.807 31.678 32.500 -0.025 0.000 0.717 193 K HN 0.449 nan 8.250 nan 0.000 0.442 194 Q N 0.161 119.956 119.800 -0.010 0.000 2.123 194 Q HA -0.028 4.313 4.340 0.001 0.000 0.199 194 Q C 1.685 177.674 176.000 -0.017 0.000 0.966 194 Q CA 0.985 56.779 55.803 -0.014 0.000 0.845 194 Q CB 0.023 28.753 28.738 -0.014 0.000 0.907 194 Q HN 0.240 nan 8.270 nan 0.000 0.439 195 R N -0.448 120.038 120.500 -0.022 0.000 2.320 195 R HA 0.103 4.443 4.340 0.001 0.000 0.211 195 R C 0.739 176.996 176.300 -0.072 0.000 0.931 195 R CA 0.510 56.582 56.100 -0.047 0.000 1.071 195 R CB 0.444 30.709 30.300 -0.059 0.000 1.025 195 R HN 0.329 nan 8.270 nan 0.000 0.495 196 G N 1.217 109.980 108.800 -0.062 0.000 2.160 196 G HA2 -0.261 3.699 3.960 0.001 0.000 0.251 196 G HA3 -0.261 3.699 3.960 0.001 0.000 0.251 196 G C 0.235 175.072 174.900 -0.105 0.000 1.008 196 G CA 0.095 45.157 45.100 -0.064 0.000 0.724 196 G HN 0.162 nan 8.290 nan 0.000 0.514 197 V N 2.412 122.215 119.914 -0.186 0.000 2.521 197 V HA 0.295 4.415 4.120 0.001 0.000 0.286 197 V C -0.846 175.142 176.094 -0.176 0.000 1.034 197 V CA -0.628 61.487 62.300 -0.309 0.000 1.045 197 V CB 1.092 32.427 31.823 -0.814 0.000 0.974 197 V HN 0.312 nan 8.190 nan 0.000 0.480 198 P HA 0.241 nan 4.420 nan 0.000 0.266 198 P C -0.608 176.699 177.300 0.013 0.000 1.419 198 P CA 0.408 63.508 63.100 0.000 0.000 1.112 198 P CB 0.440 32.177 31.700 0.062 0.000 1.438 199 I N 2.634 123.170 120.570 -0.056 0.000 2.499 199 I HA 0.262 4.432 4.170 0.001 0.000 0.288 199 I C 0.095 176.233 176.117 0.036 0.000 1.048 199 I CA -0.706 60.526 61.300 -0.113 0.000 1.062 199 I CB 2.351 40.133 38.000 -0.363 0.000 1.238 199 I HN -0.010 nan 8.210 nan 0.000 0.426 200 D N 5.839 126.313 120.400 0.124 0.000 2.380 200 D HA 0.147 4.787 4.640 0.001 0.000 0.212 200 D C 0.060 176.438 176.300 0.130 0.000 1.021 200 D CA 0.564 54.638 54.000 0.122 0.000 0.884 200 D CB 0.614 41.499 40.800 0.141 0.000 1.001 200 D HN 0.586 nan 8.370 nan 0.000 0.506 201 c N -0.623 118.071 118.600 0.156 0.000 3.241 201 c HA 0.801 5.372 4.570 0.001 0.000 0.312 201 c C -0.512 173.660 174.090 0.137 0.000 1.350 201 c CA -1.001 55.418 56.329 0.150 0.000 1.415 201 c CB 1.731 44.331 42.510 0.149 0.000 1.770 201 c HN -0.103 nan 8.230 nan 0.000 0.466 202 V N 1.356 121.321 119.914 0.085 0.000 2.483 202 V HA 0.765 4.886 4.120 0.001 0.000 0.297 202 V C 0.602 176.564 176.094 -0.221 0.000 1.027 202 V CA 0.162 62.409 62.300 -0.088 0.000 0.855 202 V CB 1.675 33.364 31.823 -0.223 0.000 0.995 202 V HN 1.331 nan 8.190 nan 0.000 0.424 203 G N 3.529 112.151 108.800 -0.297 0.000 2.335 203 G HA2 0.628 4.588 3.960 0.001 0.000 0.316 203 G HA3 0.628 4.588 3.960 0.001 0.000 0.316 203 G C -1.073 173.562 174.900 -0.442 0.000 1.129 203 G CA -0.261 44.701 45.100 -0.230 0.000 0.899 203 G HN 0.438 nan 8.290 nan 0.000 0.448 204 F N 1.403 121.311 119.950 -0.070 0.000 2.332 204 F HA 0.290 4.818 4.527 0.001 0.000 0.368 204 F C 1.665 177.379 175.800 -0.144 0.000 1.110 204 F CA -0.607 57.364 58.000 -0.049 0.000 1.087 204 F CB 1.918 41.005 39.000 0.144 0.000 1.235 204 F HN 0.537 nan 8.300 nan 0.000 0.470 205 Q N 1.300 121.021 119.800 -0.132 0.000 2.112 205 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 205 Q C 0.696 176.369 176.000 -0.545 0.000 0.987 205 Q CA 1.646 57.222 55.803 -0.378 0.000 0.858 205 Q CB -0.131 28.401 28.738 -0.342 0.000 0.905 205 Q HN 0.784 nan 8.270 nan 0.000 0.420 206 S N 0.221 115.625 115.700 -0.493 0.000 3.783 206 S HA -0.120 4.351 4.470 0.001 0.000 0.360 206 S C -0.833 173.101 174.600 -1.109 0.000 1.006 206 S CA 0.073 57.683 58.200 -0.982 0.000 1.115 206 S CB -1.534 61.300 63.200 -0.610 0.000 0.893 206 S HN 0.406 nan 8.310 nan 0.000 0.475 207 H N 0.693 119.425 119.070 -0.564 0.000 2.872 207 H HA 0.359 4.916 4.556 0.001 0.000 0.273 207 H C -0.018 175.169 175.328 -0.235 0.000 1.205 207 H CA -0.134 55.764 56.048 -0.250 0.000 1.342 207 H CB -0.189 29.573 29.762 -0.000 0.000 1.469 207 H HN 0.269 nan 8.280 nan 0.000 0.487 208 F N 3.003 123.041 119.950 0.145 0.000 2.404 208 F HA 0.219 4.747 4.527 0.001 0.000 0.339 208 F C 0.709 176.562 175.800 0.089 0.000 1.105 208 F CA -0.819 57.244 58.000 0.104 0.000 1.087 208 F CB 1.054 40.078 39.000 0.040 0.000 1.143 208 F HN 0.524 nan 8.300 nan 0.000 0.491 209 N N -2.074 116.801 118.700 0.293 0.000 3.106 209 N HA 0.222 4.963 4.740 0.001 0.000 0.253 209 N C 0.062 175.660 175.510 0.146 0.000 1.506 209 N CA -0.430 52.719 53.050 0.164 0.000 0.876 209 N CB 0.554 39.099 38.487 0.095 0.000 1.452 209 N HN 0.224 nan 8.380 nan 0.000 0.542 210 S N -2.195 113.562 115.700 0.095 0.000 2.469 210 S HA -0.009 4.462 4.470 0.001 0.000 0.238 210 S C 1.562 176.215 174.600 0.089 0.000 0.998 210 S CA 1.036 59.286 58.200 0.084 0.000 0.957 210 S CB -1.133 62.100 63.200 0.056 0.000 0.764 210 S HN 0.794 nan 8.310 nan 0.000 0.514 211 G N 0.219 109.071 108.800 0.086 0.000 2.494 211 G HA2 0.237 4.198 3.960 0.001 0.000 0.216 211 G HA3 0.237 4.198 3.960 0.001 0.000 0.216 211 G C 0.417 175.382 174.900 0.107 0.000 1.140 211 G CA 0.302 45.444 45.100 0.070 0.000 0.801 211 G HN 0.559 nan 8.290 nan 0.000 0.536 212 S N 1.690 117.504 115.700 0.189 0.000 2.440 212 S HA 0.349 4.819 4.470 0.001 0.000 0.142 212 S C -2.827 172.038 174.600 0.442 0.000 1.578 212 S CA -0.774 57.631 58.200 0.341 0.000 1.260 212 S CB 2.383 65.765 63.200 0.303 0.000 1.407 212 S HN 0.166 nan 8.310 nan 0.000 0.392 213 P HA 0.111 nan 4.420 nan 0.000 0.274 213 P C -0.517 176.778 177.300 -0.008 0.000 1.237 213 P CA -0.394 62.811 63.100 0.176 0.000 0.793 213 P CB 0.563 32.324 31.700 0.101 0.000 0.977 214 Y N 2.336 122.355 120.300 -0.468 0.000 2.497 214 Y HA 0.188 4.738 4.550 0.001 0.000 0.334 214 Y C 0.067 175.709 175.900 -0.429 0.000 1.199 214 Y CA 0.304 57.839 58.100 -0.942 0.000 1.425 214 Y CB 0.255 38.081 38.460 -1.058 0.000 1.291 214 Y HN 0.348 nan 8.280 nan 0.000 0.562 215 N N 2.507 120.440 118.700 -1.278 0.000 2.249 215 N HA 0.083 4.823 4.740 0.001 0.000 0.296 215 N C 0.277 175.088 175.510 -1.165 0.000 1.051 215 N CA 0.232 52.738 53.050 -0.907 0.000 0.815 215 N CB 2.096 40.271 38.487 -0.520 0.000 1.487 215 N HN 0.816 nan 8.380 nan 0.000 0.475 216 S N 2.435 117.718 115.700 -0.695 0.000 2.440 216 S HA -0.230 4.241 4.470 0.001 0.000 0.238 216 S C 1.178 175.650 174.600 -0.212 0.000 1.010 216 S CA 1.463 59.455 58.200 -0.347 0.000 0.972 216 S CB -0.554 62.577 63.200 -0.116 0.000 0.774 216 S HN 0.782 nan 8.310 nan 0.000 0.501 217 N N 0.922 119.488 118.700 -0.223 0.000 2.571 217 N HA -0.046 4.694 4.740 0.001 0.000 0.189 217 N C 0.966 176.444 175.510 -0.054 0.000 1.154 217 N CA 0.345 53.319 53.050 -0.127 0.000 0.907 217 N CB -0.954 37.480 38.487 -0.089 0.000 0.977 217 N HN 0.433 nan 8.380 nan 0.000 0.449 218 F N 1.795 121.584 119.950 -0.268 0.000 2.171 218 F HA 0.037 4.564 4.527 0.001 0.000 0.300 218 F C 2.301 178.017 175.800 -0.139 0.000 1.090 218 F CA 0.883 58.777 58.000 -0.176 0.000 1.293 218 F CB -0.368 38.575 39.000 -0.096 0.000 1.013 218 F HN 0.117 nan 8.300 nan 0.000 0.486 219 R N -0.391 120.002 120.500 -0.178 0.000 2.081 219 R HA -0.142 4.198 4.340 0.001 0.000 0.235 219 R C 1.970 178.105 176.300 -0.275 0.000 1.131 219 R CA 2.041 57.970 56.100 -0.284 0.000 0.960 219 R CB -0.576 29.636 30.300 -0.147 0.000 0.856 219 R HN 0.270 nan 8.270 nan 0.000 0.436 220 T N -0.071 114.346 114.554 -0.229 0.000 2.788 220 T HA -0.101 4.249 4.350 0.001 0.000 0.268 220 T C 1.690 176.180 174.700 -0.351 0.000 1.044 220 T CA 1.818 63.732 62.100 -0.310 0.000 1.139 220 T CB -0.299 68.353 68.868 -0.360 0.000 0.867 220 T HN 0.365 nan 8.240 nan 0.000 0.454 221 T N 2.533 116.984 114.554 -0.173 0.000 2.708 221 T HA 0.031 4.381 4.350 0.001 0.000 0.266 221 T C 1.982 176.715 174.700 0.056 0.000 1.037 221 T CA 0.901 63.064 62.100 0.105 0.000 1.146 221 T CB -0.462 68.586 68.868 0.300 0.000 0.865 221 T HN 0.266 nan 8.240 nan 0.000 0.435 222 L N 0.665 121.696 121.223 -0.320 0.000 2.046 222 L HA -0.161 4.180 4.340 0.001 0.000 0.208 222 L C 2.882 179.695 176.870 -0.096 0.000 1.077 222 L CA 1.487 56.115 54.840 -0.354 0.000 0.747 222 L CB -0.651 41.054 42.059 -0.590 0.000 0.896 222 L HN 0.336 nan 8.230 nan 0.000 0.432 223 Q N -0.295 119.414 119.800 -0.151 0.000 2.079 223 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 223 Q C 2.062 178.020 176.000 -0.071 0.000 0.974 223 Q CA 1.283 57.018 55.803 -0.113 0.000 0.840 223 Q CB -0.134 28.506 28.738 -0.164 0.000 0.898 223 Q HN 0.479 nan 8.270 nan 0.000 0.430 224 N N 0.212 118.830 118.700 -0.138 0.000 2.120 224 N HA -0.125 4.615 4.740 0.001 0.000 0.188 224 N C 1.483 177.061 175.510 0.115 0.000 1.024 224 N CA 1.180 54.137 53.050 -0.156 0.000 0.852 224 N CB -0.280 37.846 38.487 -0.603 0.000 1.003 224 N HN 0.163 nan 8.380 nan 0.000 0.424 225 F N 1.325 121.388 119.950 0.187 0.000 2.146 225 F HA 0.001 4.528 4.527 0.001 0.000 0.298 225 F C 2.394 178.279 175.800 0.141 0.000 1.096 225 F CA 0.953 59.116 58.000 0.272 0.000 1.275 225 F CB -0.624 38.601 39.000 0.375 0.000 1.008 225 F HN -0.001 nan 8.300 nan 0.000 0.480 226 A N -0.038 122.939 122.820 0.262 0.000 1.978 226 A HA -0.112 4.209 4.320 0.001 0.000 0.220 226 A C 2.324 179.959 177.584 0.085 0.000 1.170 226 A CA 1.641 53.762 52.037 0.140 0.000 0.636 226 A CB -1.253 17.788 19.000 0.068 0.000 0.810 226 A HN 0.306 nan 8.150 nan 0.000 0.448 227 A N -0.576 122.283 122.820 0.064 0.000 2.121 227 A HA 0.112 4.433 4.320 0.001 0.000 0.218 227 A C 1.905 179.507 177.584 0.030 0.000 1.154 227 A CA 1.069 53.124 52.037 0.030 0.000 0.679 227 A CB -0.466 18.538 19.000 0.006 0.000 0.795 227 A HN 0.485 nan 8.150 nan 0.000 0.458 228 L N -1.572 119.675 121.223 0.040 0.000 2.478 228 L HA 0.140 4.481 4.340 0.001 0.000 0.223 228 L C 1.621 178.497 176.870 0.011 0.000 1.140 228 L CA 0.671 55.507 54.840 -0.006 0.000 0.842 228 L CB -0.164 41.850 42.059 -0.074 0.000 0.953 228 L HN 0.579 nan 8.230 nan 0.000 0.452 229 G N 0.555 109.379 108.800 0.039 0.000 2.138 229 G HA2 -0.193 3.768 3.960 0.001 0.000 0.193 229 G HA3 -0.193 3.768 3.960 0.001 0.000 0.193 229 G C 0.040 174.975 174.900 0.059 0.000 0.998 229 G CA -0.031 45.092 45.100 0.039 0.000 0.668 229 G HN 0.185 nan 8.290 nan 0.000 0.516 230 V N -2.770 117.199 119.914 0.091 0.000 2.815 230 V HA 0.872 4.992 4.120 0.001 0.000 0.314 230 V C -0.217 175.956 176.094 0.132 0.000 1.064 230 V CA -1.511 60.857 62.300 0.114 0.000 0.952 230 V CB 2.090 34.000 31.823 0.145 0.000 1.020 230 V HN 0.034 nan 8.190 nan 0.000 0.439 231 D N 1.441 121.916 120.400 0.125 0.000 2.312 231 D HA 0.595 5.236 4.640 0.001 0.000 0.248 231 D C -0.110 176.283 176.300 0.155 0.000 1.086 231 D CA 0.095 54.167 54.000 0.120 0.000 0.948 231 D CB 2.071 42.936 40.800 0.109 0.000 1.162 231 D HN 0.896 nan 8.370 nan 0.000 0.446 232 V N -2.553 117.448 119.914 0.146 0.000 2.823 232 V HA 0.946 5.067 4.120 0.001 0.000 0.312 232 V C -0.792 175.393 176.094 0.153 0.000 1.072 232 V CA -0.951 61.474 62.300 0.208 0.000 0.937 232 V CB 1.518 33.470 31.823 0.216 0.000 1.013 232 V HN 0.673 nan 8.190 nan 0.000 0.430 233 A N 3.811 126.760 122.820 0.213 0.000 2.520 233 A HA 0.851 5.171 4.320 0.001 0.000 0.298 233 A C -0.933 176.766 177.584 0.192 0.000 1.051 233 A CA -0.686 51.439 52.037 0.147 0.000 0.690 233 A CB 1.563 20.659 19.000 0.161 0.000 1.281 233 A HN 0.949 nan 8.150 nan 0.000 0.402 234 I N 2.907 123.544 120.570 0.113 0.000 2.291 234 I HA 0.181 4.351 4.170 0.001 0.000 0.292 234 I C 1.556 177.696 176.117 0.039 0.000 1.064 234 I CA 0.048 61.422 61.300 0.122 0.000 1.269 234 I CB 1.417 39.483 38.000 0.109 0.000 1.418 234 I HN 0.920 nan 8.210 nan 0.000 0.485 235 T N 1.055 115.596 114.554 -0.021 0.000 3.031 235 T HA 0.119 4.470 4.350 0.001 0.000 0.254 235 T C 0.854 175.446 174.700 -0.180 0.000 1.060 235 T CA 0.449 62.493 62.100 -0.093 0.000 1.135 235 T CB 0.060 68.828 68.868 -0.167 0.000 0.896 235 T HN 0.566 nan 8.240 nan 0.000 0.472 236 E N 0.915 120.907 120.200 -0.347 0.000 4.017 236 E HA 0.340 4.691 4.350 0.001 0.000 0.205 236 E C -1.118 175.263 176.600 -0.364 0.000 1.054 236 E CA -0.496 55.629 56.400 -0.459 0.000 1.398 236 E CB 0.690 29.666 29.700 -1.206 0.000 1.164 236 E HN 0.216 nan 8.360 nan 0.000 0.445 237 L N 2.973 124.126 121.223 -0.117 0.000 2.559 237 L HA 0.092 4.432 4.340 0.001 0.000 0.274 237 L C -0.690 176.289 176.870 0.183 0.000 1.205 237 L CA 0.741 55.561 54.840 -0.034 0.000 0.907 237 L CB 0.043 42.152 42.059 0.083 0.000 1.153 237 L HN 0.177 nan 8.230 nan 0.000 0.490 238 D N 4.228 124.718 120.400 0.150 0.000 2.803 238 D HA 0.452 5.093 4.640 0.001 0.000 0.218 238 D C -0.999 175.402 176.300 0.168 0.000 1.245 238 D CA -0.335 53.842 54.000 0.295 0.000 0.821 238 D CB 0.466 41.553 40.800 0.477 0.000 1.626 238 D HN 0.390 nan 8.370 nan 0.000 0.487 239 I N 0.841 121.479 120.570 0.113 0.000 2.447 239 I HA 0.245 4.415 4.170 0.001 0.000 0.287 239 I C -0.035 176.157 176.117 0.125 0.000 1.023 239 I CA -0.982 60.359 61.300 0.069 0.000 1.083 239 I CB 2.101 39.982 38.000 -0.199 0.000 1.245 239 I HN 0.392 nan 8.210 nan 0.000 0.434 240 Q N 5.104 124.978 119.800 0.123 0.000 2.239 240 Q HA 0.149 4.490 4.340 0.001 0.000 0.286 240 Q C 1.124 177.175 176.000 0.086 0.000 1.102 240 Q CA 1.439 57.298 55.803 0.094 0.000 0.936 240 Q CB 0.366 29.148 28.738 0.074 0.000 1.127 240 Q HN 1.023 nan 8.270 nan 0.000 0.380 241 G N 3.195 112.049 108.800 0.090 0.000 2.241 241 G HA2 -0.331 3.630 3.960 0.001 0.000 0.244 241 G HA3 -0.331 3.630 3.960 0.001 0.000 0.244 241 G C 0.494 175.459 174.900 0.108 0.000 0.998 241 G CA 0.103 45.250 45.100 0.078 0.000 0.621 241 G HN 1.862 nan 8.290 nan 0.000 0.519 242 A N -0.887 122.035 122.820 0.170 0.000 2.687 242 A HA 0.102 4.422 4.320 0.001 0.000 0.299 242 A C 1.271 179.006 177.584 0.251 0.000 1.497 242 A CA 1.848 54.074 52.037 0.315 0.000 0.751 242 A CB -1.964 17.221 19.000 0.308 0.000 1.048 242 A HN 2.484 nan 8.150 nan 0.000 0.464 243 S N -0.047 115.736 115.700 0.139 0.000 2.546 243 S HA 0.316 4.787 4.470 0.001 0.000 0.290 243 S C 1.538 176.215 174.600 0.128 0.000 1.290 243 S CA 0.442 58.688 58.200 0.076 0.000 1.069 243 S CB 0.582 63.792 63.200 0.018 0.000 0.846 243 S HN 1.051 nan 8.310 nan 0.000 0.495 244 S N 4.125 119.859 115.700 0.057 0.000 2.368 244 S HA -0.083 4.387 4.470 0.001 0.000 0.225 244 S C 2.192 176.823 174.600 0.053 0.000 1.030 244 S CA 1.512 59.746 58.200 0.057 0.000 0.999 244 S CB -0.414 62.765 63.200 -0.035 0.000 0.844 244 S HN 0.793 nan 8.310 nan 0.000 0.459 245 S N 1.180 116.884 115.700 0.008 0.000 2.356 245 S HA -0.091 4.379 4.470 0.001 0.000 0.223 245 S C 2.156 176.722 174.600 -0.055 0.000 1.032 245 S CA 1.537 59.731 58.200 -0.009 0.000 1.005 245 S CB -0.637 62.556 63.200 -0.011 0.000 0.867 245 S HN 0.589 nan 8.310 nan 0.000 0.449 246 T N 0.794 115.293 114.554 -0.092 0.000 2.746 246 T HA -0.076 4.274 4.350 0.001 0.000 0.267 246 T C 1.526 176.056 174.700 -0.283 0.000 1.039 246 T CA 1.202 63.137 62.100 -0.276 0.000 1.142 246 T CB -0.447 68.274 68.868 -0.246 0.000 0.866 246 T HN 0.340 nan 8.240 nan 0.000 0.444 247 Y N 1.510 121.747 120.300 -0.106 0.000 2.224 247 Y HA -0.009 4.541 4.550 0.001 0.000 0.289 247 Y C 2.657 178.529 175.900 -0.047 0.000 1.146 247 Y CA 0.626 58.705 58.100 -0.036 0.000 1.182 247 Y CB -0.718 37.752 38.460 0.016 0.000 0.983 247 Y HN 0.209 nan 8.280 nan 0.000 0.524 248 A N -0.476 122.404 122.820 0.099 0.000 1.898 248 A HA -0.057 4.263 4.320 0.001 0.000 0.216 248 A C 2.438 180.016 177.584 -0.010 0.000 1.181 248 A CA 1.546 53.610 52.037 0.044 0.000 0.620 248 A CB -1.210 17.806 19.000 0.026 0.000 0.819 248 A HN 0.390 nan 8.150 nan 0.000 0.442 249 A N -0.424 122.337 122.820 -0.100 0.000 1.902 249 A HA -0.035 4.285 4.320 0.001 0.000 0.217 249 A C 2.222 179.727 177.584 -0.131 0.000 1.181 249 A CA 1.866 53.819 52.037 -0.140 0.000 0.623 249 A CB -0.984 17.847 19.000 -0.282 0.000 0.818 249 A HN 0.392 nan 8.150 nan 0.000 0.443 250 V N -0.238 119.539 119.914 -0.228 0.000 2.343 250 V HA -0.232 3.889 4.120 0.001 0.000 0.247 250 V C 2.749 178.902 176.094 0.097 0.000 1.051 250 V CA 2.478 64.779 62.300 0.002 0.000 1.036 250 V CB -1.251 30.594 31.823 0.038 0.000 0.654 250 V HN 0.623 nan 8.190 nan 0.000 0.451 251 T N 0.192 114.803 114.554 0.095 0.000 2.708 251 T HA -0.164 4.186 4.350 0.001 0.000 0.266 251 T C 1.851 176.582 174.700 0.051 0.000 1.037 251 T CA 1.576 63.743 62.100 0.112 0.000 1.146 251 T CB -0.386 68.568 68.868 0.143 0.000 0.865 251 T HN 0.418 nan 8.240 nan 0.000 0.435 252 N N 1.358 120.076 118.700 0.030 0.000 2.223 252 N HA -0.101 4.639 4.740 0.001 0.000 0.185 252 N C 1.498 177.004 175.510 -0.008 0.000 1.016 252 N CA 0.983 54.039 53.050 0.010 0.000 0.863 252 N CB -0.367 38.126 38.487 0.009 0.000 0.983 252 N HN 0.388 nan 8.380 nan 0.000 0.429 253 D N 0.311 120.710 120.400 -0.002 0.000 2.117 253 D HA -0.109 4.532 4.640 0.001 0.000 0.197 253 D C 2.044 178.273 176.300 -0.119 0.000 0.987 253 D CA 0.547 54.513 54.000 -0.058 0.000 0.829 253 D CB -0.527 40.244 40.800 -0.048 0.000 0.961 253 D HN 0.222 nan 8.370 nan 0.000 0.460 254 c N 0.485 119.031 118.600 -0.089 0.000 2.446 254 c HA -0.018 4.552 4.570 0.001 0.000 0.277 254 c C 2.799 176.842 174.090 -0.078 0.000 1.275 254 c CA 0.228 56.493 56.329 -0.106 0.000 1.727 254 c CB -1.234 41.232 42.510 -0.073 0.000 2.010 254 c HN 0.276 nan 8.230 nan 0.000 0.486 255 L N 1.163 122.359 121.223 -0.045 0.000 2.191 255 L HA -0.070 4.271 4.340 0.001 0.000 0.212 255 L C 2.791 179.636 176.870 -0.041 0.000 1.103 255 L CA 1.458 56.278 54.840 -0.034 0.000 0.769 255 L CB -0.569 41.482 42.059 -0.014 0.000 0.908 255 L HN 0.459 nan 8.230 nan 0.000 0.438 256 A N -0.831 121.957 122.820 -0.053 0.000 2.208 256 A HA 0.163 4.484 4.320 0.001 0.000 0.209 256 A C 0.789 178.331 177.584 -0.069 0.000 1.161 256 A CA 0.251 52.254 52.037 -0.056 0.000 0.782 256 A CB -0.036 18.928 19.000 -0.060 0.000 0.816 256 A HN 0.132 nan 8.150 nan 0.000 0.477 257 V N 1.303 121.168 119.914 -0.080 0.000 2.350 257 V HA 0.152 4.273 4.120 0.001 0.000 0.285 257 V C 1.389 177.450 176.094 -0.055 0.000 1.014 257 V CA 0.194 62.446 62.300 -0.079 0.000 0.831 257 V CB 1.001 32.754 31.823 -0.116 0.000 1.000 257 V HN 0.562 nan 8.190 nan 0.000 0.433 258 S N 4.419 120.097 115.700 -0.037 0.000 2.419 258 S HA -0.138 4.332 4.470 0.001 0.000 0.235 258 S C 1.569 176.162 174.600 -0.012 0.000 1.019 258 S CA 0.850 59.037 58.200 -0.022 0.000 0.982 258 S CB -0.179 63.013 63.200 -0.014 0.000 0.789 258 S HN 0.644 nan 8.310 nan 0.000 0.490 259 R N 0.223 120.718 120.500 -0.008 0.000 2.313 259 R HA 0.199 4.539 4.340 0.001 0.000 0.199 259 R C 0.348 176.653 176.300 0.008 0.000 0.958 259 R CA 0.051 56.159 56.100 0.014 0.000 1.047 259 R CB -1.058 29.263 30.300 0.035 0.000 0.955 259 R HN 0.497 nan 8.270 nan 0.000 0.481 260 c N 2.094 120.676 118.600 -0.029 0.000 2.383 260 c HA 0.206 4.777 4.570 0.001 0.000 0.350 260 c C 2.062 176.105 174.090 -0.078 0.000 1.173 260 c CA -0.622 55.674 56.329 -0.055 0.000 1.645 260 c CB -1.257 41.193 42.510 -0.100 0.000 2.221 260 c HN 0.432 nan 8.230 nan 0.000 0.528 261 L N 5.289 126.475 121.223 -0.062 0.000 2.131 261 L HA 0.209 4.550 4.340 0.001 0.000 0.210 261 L C 1.554 178.148 176.870 -0.460 0.000 1.092 261 L CA 1.233 56.017 54.840 -0.095 0.000 0.759 261 L CB -0.708 41.409 42.059 0.097 0.000 0.903 261 L HN 0.922 nan 8.230 nan 0.000 0.435 262 G N -0.802 107.613 108.800 -0.642 0.000 2.315 262 G HA2 0.379 4.340 3.960 0.001 0.000 0.294 262 G HA3 0.379 4.340 3.960 0.001 0.000 0.294 262 G C -1.793 172.704 174.900 -0.671 0.000 1.300 262 G CA -0.804 43.642 45.100 -1.089 0.000 0.843 262 G HN -0.100 nan 8.290 nan 0.000 0.527 263 I N 0.406 120.625 120.570 -0.585 0.000 2.509 263 I HA 0.552 4.723 4.170 0.001 0.000 0.293 263 I C -0.343 175.537 176.117 -0.395 0.000 1.020 263 I CA -0.667 60.380 61.300 -0.422 0.000 1.088 263 I CB 2.652 40.324 38.000 -0.546 0.000 1.267 263 I HN 0.369 nan 8.210 nan 0.000 0.430 264 T N 5.320 119.792 114.554 -0.136 0.000 2.812 264 T HA 0.449 4.800 4.350 0.001 0.000 0.282 264 T C -0.321 174.397 174.700 0.030 0.000 0.990 264 T CA -0.534 61.554 62.100 -0.020 0.000 0.960 264 T CB 1.548 70.475 68.868 0.098 0.000 0.948 264 T HN 0.353 nan 8.240 nan 0.000 0.438 265 V N 1.225 121.203 119.914 0.106 0.000 2.567 265 V HA 0.466 4.586 4.120 0.001 0.000 0.289 265 V C 0.271 176.525 176.094 0.266 0.000 1.049 265 V CA -1.150 61.309 62.300 0.265 0.000 0.969 265 V CB 1.290 33.372 31.823 0.432 0.000 0.995 265 V HN 1.003 nan 8.190 nan 0.000 0.471 266 W N 4.838 126.177 121.300 0.066 0.000 1.438 266 W HA 0.537 5.198 4.660 0.001 0.000 0.455 266 W C 0.581 177.147 176.519 0.079 0.000 0.656 266 W CA 0.626 57.987 57.345 0.027 0.000 2.049 266 W CB -0.008 29.495 29.460 0.072 0.000 1.683 266 W HN 1.212 nan 8.180 nan 0.000 0.228 267 G N 0.044 108.768 108.800 -0.127 0.000 2.340 267 G HA2 -0.092 3.868 3.960 0.001 0.000 0.527 267 G HA3 -0.092 3.868 3.960 0.001 0.000 0.527 267 G C -0.578 174.317 174.900 -0.008 0.000 1.381 267 G CA -0.657 44.379 45.100 -0.108 0.000 1.001 267 G HN 0.039 nan 8.290 nan 0.000 0.626 268 V N 0.445 120.369 119.914 0.017 0.000 2.398 268 V HA 0.294 4.415 4.120 0.001 0.000 0.236 268 V C 1.575 177.802 176.094 0.222 0.000 1.054 268 V CA 1.555 63.887 62.300 0.054 0.000 1.060 268 V CB -0.455 31.251 31.823 -0.194 0.000 0.707 268 V HN 0.696 nan 8.190 nan 0.000 0.480 269 R N 0.504 121.120 120.500 0.192 0.000 2.643 269 R HA 0.287 4.628 4.340 0.001 0.000 0.272 269 R C 0.735 177.156 176.300 0.201 0.000 0.995 269 R CA -0.639 55.595 56.100 0.224 0.000 1.032 269 R CB 0.740 31.142 30.300 0.169 0.000 1.126 269 R HN 0.175 nan 8.270 nan 0.000 0.505 270 D N 0.676 121.190 120.400 0.189 0.000 2.133 270 D HA -0.173 4.467 4.640 0.001 0.000 0.195 270 D C 1.664 178.042 176.300 0.130 0.000 0.997 270 D CA 2.225 56.322 54.000 0.160 0.000 0.840 270 D CB -0.219 40.658 40.800 0.128 0.000 0.947 270 D HN 0.697 nan 8.370 nan 0.000 0.452 271 T N -1.784 112.835 114.554 0.109 0.000 3.051 271 T HA -0.086 4.265 4.350 0.001 0.000 0.269 271 T C 1.115 175.861 174.700 0.076 0.000 1.127 271 T CA 0.757 62.905 62.100 0.080 0.000 1.107 271 T CB 0.062 68.967 68.868 0.061 0.000 0.898 271 T HN 0.017 nan 8.240 nan 0.000 0.517 272 D N 1.075 121.536 120.400 0.102 0.000 2.346 272 D HA 0.124 4.764 4.640 0.001 0.000 0.206 272 D C 0.900 177.263 176.300 0.106 0.000 1.001 272 D CA 0.138 54.187 54.000 0.081 0.000 0.871 272 D CB 0.167 41.045 40.800 0.130 0.000 0.943 272 D HN 0.420 nan 8.370 nan 0.000 0.518 273 S N 1.306 117.104 115.700 0.164 0.000 2.562 273 S HA 0.000 4.471 4.470 0.001 0.000 0.281 273 S C 1.296 176.083 174.600 0.312 0.000 1.333 273 S CA -0.744 57.619 58.200 0.272 0.000 1.052 273 S CB 0.528 63.895 63.200 0.278 0.000 0.884 273 S HN 0.335 nan 8.310 nan 0.000 0.506 274 W N 5.240 126.605 121.300 0.108 0.000 2.721 274 W HA 0.135 4.795 4.660 0.001 0.000 0.245 274 W C 0.315 176.875 176.519 0.069 0.000 1.276 274 W CA 0.021 57.423 57.345 0.094 0.000 1.342 274 W CB -0.795 28.756 29.460 0.151 0.000 1.135 274 W HN 0.644 nan 8.180 nan 0.000 0.654 275 R N 1.320 121.719 120.500 -0.168 0.000 2.772 275 R HA 0.067 4.407 4.340 0.001 0.000 0.358 275 R C 1.765 178.026 176.300 -0.065 0.000 1.143 275 R CA 0.553 56.473 56.100 -0.300 0.000 1.153 275 R CB 0.278 30.247 30.300 -0.551 0.000 1.329 275 R HN 0.069 nan 8.270 nan 0.000 0.615 276 S N -0.620 115.088 115.700 0.015 0.000 2.407 276 S HA -0.182 4.289 4.470 0.001 0.000 0.235 276 S C 1.999 176.616 174.600 0.028 0.000 1.036 276 S CA 1.528 59.757 58.200 0.050 0.000 1.013 276 S CB -0.266 62.967 63.200 0.055 0.000 0.820 276 S HN 0.542 nan 8.310 nan 0.000 0.476 277 G N 1.388 110.185 108.800 -0.005 0.000 2.479 277 G HA2 -0.136 3.824 3.960 0.001 0.000 0.220 277 G HA3 -0.136 3.824 3.960 0.001 0.000 0.220 277 G C 1.003 175.906 174.900 0.005 0.000 1.115 277 G CA 0.936 46.034 45.100 -0.003 0.000 0.757 277 G HN 0.580 nan 8.290 nan 0.000 0.560 278 D N 0.470 120.870 120.400 0.001 0.000 2.339 278 D HA 0.026 4.666 4.640 0.001 0.000 0.217 278 D C 1.436 177.775 176.300 0.064 0.000 1.050 278 D CA 1.112 55.126 54.000 0.023 0.000 0.856 278 D CB -0.237 40.567 40.800 0.007 0.000 0.922 278 D HN 0.387 nan 8.370 nan 0.000 0.518 279 T N -0.288 114.310 114.554 0.074 0.000 3.473 279 T HA -0.147 4.204 4.350 0.001 0.000 0.403 279 T C -1.770 173.016 174.700 0.144 0.000 0.768 279 T CA 0.265 62.425 62.100 0.099 0.000 2.009 279 T CB -1.234 67.677 68.868 0.072 0.000 1.715 279 T HN 0.159 nan 8.240 nan 0.000 0.666 280 P HA 0.335 nan 4.420 nan 0.000 0.255 280 P C 0.718 178.250 177.300 0.386 0.000 1.248 280 P CA -0.188 63.068 63.100 0.260 0.000 0.807 280 P CB 0.415 32.257 31.700 0.236 0.000 1.150 281 L N -1.010 120.409 121.223 0.326 0.000 2.578 281 L HA 0.374 4.715 4.340 0.001 0.000 0.259 281 L C 1.998 178.978 176.870 0.184 0.000 1.082 281 L CA -1.095 53.949 54.840 0.339 0.000 0.843 281 L CB 0.480 42.734 42.059 0.326 0.000 1.535 281 L HN -0.284 nan 8.230 nan 0.000 0.510 282 L N -0.646 120.655 121.223 0.129 0.000 2.446 282 L HA 0.162 4.502 4.340 0.001 0.000 0.219 282 L C -0.384 176.334 176.870 -0.253 0.000 1.116 282 L CA 0.535 55.303 54.840 -0.120 0.000 0.844 282 L CB 0.046 42.002 42.059 -0.172 0.000 0.970 282 L HN 0.242 nan 8.230 nan 0.000 0.457 283 F N 0.061 120.070 119.950 0.097 0.000 2.546 283 F HA 0.307 4.834 4.527 0.001 0.000 0.320 283 F C 0.405 176.234 175.800 0.049 0.000 1.076 283 F CA -1.417 56.611 58.000 0.047 0.000 0.928 283 F CB 1.062 40.091 39.000 0.048 0.000 1.189 283 F HN -0.077 nan 8.300 nan 0.000 0.465 284 N N 0.035 118.844 118.700 0.182 0.000 2.476 284 N HA 0.372 5.112 4.740 0.001 0.000 0.287 284 N C 1.185 176.766 175.510 0.118 0.000 1.262 284 N CA -0.243 52.877 53.050 0.117 0.000 0.980 284 N CB -0.043 38.472 38.487 0.047 0.000 1.163 284 N HN 0.622 nan 8.380 nan 0.000 0.592 285 G N -0.945 107.904 108.800 0.082 0.000 2.469 285 G HA2 -0.280 3.680 3.960 0.001 0.000 0.220 285 G HA3 -0.280 3.680 3.960 0.001 0.000 0.220 285 G C 0.602 175.536 174.900 0.058 0.000 1.136 285 G CA 0.923 46.064 45.100 0.069 0.000 0.759 285 G HN 0.706 nan 8.290 nan 0.000 0.562 286 D N 0.444 120.872 120.400 0.047 0.000 2.363 286 D HA 0.119 4.760 4.640 0.001 0.000 0.226 286 D C 2.043 178.368 176.300 0.042 0.000 1.020 286 D CA 0.994 55.014 54.000 0.032 0.000 0.892 286 D CB -0.135 40.672 40.800 0.013 0.000 0.900 286 D HN 0.450 nan 8.370 nan 0.000 0.531 287 G N 1.176 110.022 108.800 0.076 0.000 2.159 287 G HA2 -0.277 3.684 3.960 0.001 0.000 0.256 287 G HA3 -0.277 3.684 3.960 0.001 0.000 0.256 287 G C 0.422 175.413 174.900 0.151 0.000 0.977 287 G CA 0.528 45.677 45.100 0.081 0.000 0.652 287 G HN 0.473 nan 8.290 nan 0.000 0.531 288 S N -0.368 115.406 115.700 0.123 0.000 2.586 288 S HA 0.669 5.140 4.470 0.001 0.000 0.274 288 S C 0.225 174.855 174.600 0.050 0.000 1.281 288 S CA -0.594 57.649 58.200 0.072 0.000 1.035 288 S CB 1.757 64.951 63.200 -0.011 0.000 0.962 288 S HN 0.428 nan 8.310 nan 0.000 0.512 289 K N 1.959 122.281 120.400 -0.129 0.000 2.412 289 K HA 0.173 4.493 4.320 0.001 0.000 0.281 289 K C 0.128 176.565 176.600 -0.273 0.000 1.027 289 K CA 0.018 56.018 56.287 -0.478 0.000 0.989 289 K CB 0.438 32.496 32.500 -0.736 0.000 0.935 289 K HN 0.550 nan 8.250 nan 0.000 0.475 290 K N 0.816 121.061 120.400 -0.259 0.000 2.148 290 K HA 0.229 4.549 4.320 0.001 0.000 0.239 290 K C 1.186 177.742 176.600 -0.073 0.000 1.018 290 K CA -0.349 55.861 56.287 -0.128 0.000 0.923 290 K CB 0.796 33.238 32.500 -0.096 0.000 1.117 290 K HN 0.607 nan 8.250 nan 0.000 0.477 291 A N 0.902 123.703 122.820 -0.030 0.000 1.940 291 A HA -0.202 4.118 4.320 0.001 0.000 0.219 291 A C 2.143 179.730 177.584 0.005 0.000 1.176 291 A CA 2.232 54.288 52.037 0.031 0.000 0.631 291 A CB -0.996 18.015 19.000 0.018 0.000 0.814 291 A HN 0.765 nan 8.150 nan 0.000 0.446 292 A N -1.540 121.251 122.820 -0.049 0.000 1.972 292 A HA -0.100 4.220 4.320 0.001 0.000 0.219 292 A C 2.068 179.529 177.584 -0.205 0.000 1.169 292 A CA 1.595 53.569 52.037 -0.106 0.000 0.635 292 A CB -0.756 18.148 19.000 -0.159 0.000 0.810 292 A HN 0.758 nan 8.150 nan 0.000 0.446 293 Y N 1.290 121.389 120.300 -0.336 0.000 2.128 293 Y HA -0.214 4.336 4.550 0.001 0.000 0.284 293 Y C 2.572 178.314 175.900 -0.263 0.000 1.154 293 Y CA 2.403 60.264 58.100 -0.400 0.000 1.149 293 Y CB -0.732 37.397 38.460 -0.553 0.000 0.976 293 Y HN 0.297 nan 8.280 nan 0.000 0.505 294 T N 0.642 115.229 114.554 0.055 0.000 2.788 294 T HA -0.155 4.196 4.350 0.001 0.000 0.268 294 T C 2.093 176.759 174.700 -0.056 0.000 1.044 294 T CA 1.314 63.437 62.100 0.039 0.000 1.139 294 T CB -0.701 68.231 68.868 0.108 0.000 0.867 294 T HN 0.501 nan 8.240 nan 0.000 0.454 295 A N 0.882 123.677 122.820 -0.043 0.000 1.898 295 A HA -0.014 4.306 4.320 0.001 0.000 0.216 295 A C 2.558 180.095 177.584 -0.078 0.000 1.181 295 A CA 1.164 53.187 52.037 -0.023 0.000 0.620 295 A CB -0.882 18.129 19.000 0.018 0.000 0.819 295 A HN 0.357 nan 8.150 nan 0.000 0.442 296 V N -0.389 119.422 119.914 -0.171 0.000 2.358 296 V HA -0.207 3.914 4.120 0.001 0.000 0.246 296 V C 2.474 178.408 176.094 -0.266 0.000 1.047 296 V CA 1.856 64.041 62.300 -0.192 0.000 1.035 296 V CB -0.743 30.900 31.823 -0.300 0.000 0.658 296 V HN 0.569 nan 8.190 nan 0.000 0.452 297 L N 0.888 121.867 121.223 -0.407 0.000 2.017 297 L HA -0.164 4.177 4.340 0.001 0.000 0.208 297 L C 2.255 179.024 176.870 -0.169 0.000 1.073 297 L CA 2.020 56.648 54.840 -0.353 0.000 0.745 297 L CB -0.900 40.927 42.059 -0.387 0.000 0.894 297 L HN 0.317 nan 8.230 nan 0.000 0.432 298 N N 0.079 118.711 118.700 -0.113 0.000 2.149 298 N HA -0.157 4.583 4.740 0.001 0.000 0.188 298 N C 1.820 177.304 175.510 -0.043 0.000 1.019 298 N CA 1.527 54.544 53.050 -0.055 0.000 0.857 298 N CB -0.562 37.912 38.487 -0.023 0.000 0.997 298 N HN 0.535 nan 8.380 nan 0.000 0.426 299 A N 1.166 123.959 122.820 -0.045 0.000 1.902 299 A HA -0.045 4.276 4.320 0.001 0.000 0.217 299 A C 2.359 179.931 177.584 -0.021 0.000 1.181 299 A CA 0.921 52.946 52.037 -0.021 0.000 0.623 299 A CB -0.754 18.244 19.000 -0.003 0.000 0.818 299 A HN 0.221 nan 8.150 nan 0.000 0.443 300 L N -0.338 120.860 121.223 -0.041 0.000 2.131 300 L HA -0.165 4.176 4.340 0.001 0.000 0.210 300 L C 2.117 178.970 176.870 -0.030 0.000 1.092 300 L CA 1.040 55.862 54.840 -0.029 0.000 0.759 300 L CB -0.462 41.563 42.059 -0.058 0.000 0.903 300 L HN 0.396 nan 8.230 nan 0.000 0.435 301 N N -0.163 118.512 118.700 -0.041 0.000 2.368 301 N HA -0.026 4.714 4.740 0.001 0.000 0.176 301 N C 1.616 177.115 175.510 -0.019 0.000 1.021 301 N CA 1.209 54.242 53.050 -0.030 0.000 0.888 301 N CB 0.069 38.535 38.487 -0.034 0.000 0.995 301 N HN 0.260 nan 8.380 nan 0.000 0.437 302 G N -0.237 108.553 108.800 -0.017 0.000 3.371 302 G HA2 0.413 4.374 3.960 0.001 0.000 0.248 302 G HA3 0.413 4.374 3.960 0.001 0.000 0.248 302 G C 0.704 175.599 174.900 -0.008 0.000 1.161 302 G CA 0.226 45.320 45.100 -0.010 0.000 0.796 302 G HN 0.448 nan 8.290 nan 0.000 0.539 314 Q N -0.902 118.948 119.800 0.084 0.000 2.312 314 Q HA 0.624 4.965 4.340 0.001 0.000 0.236 314 Q C -0.411 175.650 176.000 0.101 0.000 0.965 314 Q CA -0.208 55.669 55.803 0.123 0.000 0.894 314 Q CB 1.966 30.752 28.738 0.079 0.000 1.225 314 Q HN 0.417 nan 8.270 nan 0.000 0.478 315 I N 1.783 122.410 120.570 0.094 0.000 2.448 315 I HA 0.282 4.452 4.170 0.001 0.000 0.281 315 I C -0.587 175.605 176.117 0.126 0.000 1.027 315 I CA -0.469 60.838 61.300 0.012 0.000 1.111 315 I CB 1.428 39.275 38.000 -0.255 0.000 1.236 315 I HN 0.363 nan 8.210 nan 0.000 0.452 316 K N 5.008 125.508 120.400 0.168 0.000 2.159 316 K HA 0.599 4.919 4.320 0.001 0.000 0.266 316 K C 0.079 176.797 176.600 0.197 0.000 0.975 316 K CA -0.484 55.909 56.287 0.176 0.000 0.865 316 K CB 1.738 34.288 32.500 0.083 0.000 1.087 316 K HN 0.711 nan 8.250 nan 0.000 0.446 317 G N 2.404 111.261 108.800 0.095 0.000 2.364 317 G HA2 0.152 4.113 3.960 0.001 0.000 0.267 317 G HA3 0.152 4.113 3.960 0.001 0.000 0.267 317 G C 0.918 175.651 174.900 -0.278 0.000 1.233 317 G CA -0.677 44.210 45.100 -0.356 0.000 0.885 317 G HN 0.498 nan 8.290 nan 0.000 0.490 318 V N 3.697 123.404 119.914 -0.344 0.000 2.287 318 V HA -0.151 3.970 4.120 0.001 0.000 0.248 318 V C 2.975 178.950 176.094 -0.199 0.000 1.053 318 V CA 2.553 64.722 62.300 -0.219 0.000 1.027 318 V CB -0.883 30.812 31.823 -0.213 0.000 0.646 318 V HN 0.779 nan 8.190 nan 0.000 0.447 319 G N -0.425 108.220 108.800 -0.258 0.000 2.443 319 G HA2 -0.186 3.775 3.960 0.001 0.000 0.219 319 G HA3 -0.186 3.775 3.960 0.001 0.000 0.219 319 G C 1.720 176.530 174.900 -0.151 0.000 1.131 319 G CA 1.303 46.287 45.100 -0.193 0.000 0.775 319 G HN 0.661 nan 8.290 nan 0.000 0.547 320 S N -1.703 113.901 115.700 -0.161 0.000 2.514 320 S HA 0.380 4.850 4.470 0.001 0.000 0.223 320 S C 1.912 176.468 174.600 -0.074 0.000 1.046 320 S CA 1.087 59.224 58.200 -0.105 0.000 0.914 320 S CB 0.232 63.376 63.200 -0.093 0.000 0.807 320 S HN 1.440 nan 8.310 nan 0.000 0.497 321 G N 1.641 110.397 108.800 -0.074 0.000 2.162 321 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 321 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 321 G C 0.124 175.017 174.900 -0.011 0.000 0.976 321 G CA 0.295 45.371 45.100 -0.040 0.000 0.655 321 G HN 0.607 nan 8.290 nan 0.000 0.533 322 R N -1.159 119.341 120.500 0.001 0.000 2.758 322 R HA 0.673 5.014 4.340 0.001 0.000 0.265 322 R C -0.158 176.208 176.300 0.110 0.000 1.016 322 R CA -0.361 55.765 56.100 0.043 0.000 1.040 322 R CB 1.288 31.605 30.300 0.028 0.000 1.152 322 R HN 0.198 nan 8.270 nan 0.000 0.503 323 c N 1.503 120.191 118.600 0.146 0.000 2.366 323 c HA 0.303 4.873 4.570 0.001 0.000 0.345 323 c C -0.030 174.181 174.090 0.202 0.000 1.209 323 c CA -0.749 55.686 56.329 0.177 0.000 2.050 323 c CB 0.688 43.290 42.510 0.153 0.000 2.359 323 c HN 0.598 nan 8.230 nan 0.000 0.527 324 L N 4.055 125.369 121.223 0.151 0.000 2.615 324 L HA 0.169 4.510 4.340 0.001 0.000 0.271 324 L C 0.158 177.197 176.870 0.282 0.000 1.183 324 L CA 1.326 56.199 54.840 0.056 0.000 0.933 324 L CB -0.363 41.471 42.059 -0.375 0.000 1.199 324 L HN 0.670 nan 8.230 nan 0.000 0.487 325 D N 3.667 124.214 120.400 0.245 0.000 2.738 325 D HA 0.273 4.913 4.640 0.001 0.000 0.237 325 D C -1.348 175.072 176.300 0.200 0.000 1.123 325 D CA -0.470 53.671 54.000 0.236 0.000 0.856 325 D CB 2.349 43.283 40.800 0.224 0.000 1.552 325 D HN 0.195 nan 8.370 nan 0.000 0.480 326 V N 4.542 124.542 119.914 0.143 0.000 2.334 326 V HA 0.260 4.381 4.120 0.001 0.000 0.267 326 V C -2.092 174.049 176.094 0.079 0.000 1.040 326 V CA -1.603 60.775 62.300 0.130 0.000 0.866 326 V CB 0.888 32.770 31.823 0.100 0.000 1.019 326 V HN 0.474 nan 8.190 nan 0.000 0.468 327 P HA -0.076 nan 4.420 nan 0.000 0.257 327 P C 0.545 177.842 177.300 -0.004 0.000 1.153 327 P CA 0.744 63.844 63.100 -0.000 0.000 0.762 327 P CB 0.017 31.733 31.700 0.028 0.000 0.743 328 N N 2.653 121.319 118.700 -0.057 0.000 2.693 328 N HA -0.288 4.452 4.740 0.001 0.000 0.249 328 N C 0.386 175.897 175.510 0.001 0.000 1.119 328 N CA 1.312 54.340 53.050 -0.037 0.000 0.717 328 N CB -1.678 36.794 38.487 -0.025 0.000 1.071 328 N HN 0.729 nan 8.380 nan 0.000 0.555 329 A N -1.351 121.493 122.820 0.040 0.000 2.783 329 A HA -0.263 4.057 4.320 0.001 0.000 0.292 329 A C 0.801 178.408 177.584 0.039 0.000 1.495 329 A CA 1.510 53.608 52.037 0.102 0.000 0.787 329 A CB -1.827 17.208 19.000 0.058 0.000 1.017 329 A HN 0.883 nan 8.150 nan 0.000 0.516 330 S N -0.812 114.923 115.700 0.058 0.000 2.593 330 S HA 0.520 4.990 4.470 0.001 0.000 0.269 330 S C 1.430 176.018 174.600 -0.020 0.000 1.334 330 S CA 0.869 59.071 58.200 0.003 0.000 1.015 330 S CB 0.688 63.912 63.200 0.040 0.000 0.912 330 S HN 1.592 nan 8.310 nan 0.000 0.541 331 T N -0.825 113.662 114.554 -0.111 0.000 3.058 331 T HA 0.207 4.558 4.350 0.001 0.000 0.278 331 T C 0.542 175.232 174.700 -0.017 0.000 0.974 331 T CA 0.224 62.239 62.100 -0.142 0.000 0.893 331 T CB -0.592 68.067 68.868 -0.348 0.000 1.138 331 T HN 0.742 nan 8.240 nan 0.000 0.529 332 T N 1.289 115.848 114.554 0.009 0.000 2.901 332 T HA 0.290 4.640 4.350 0.001 0.000 0.301 332 T C -0.354 174.392 174.700 0.076 0.000 1.012 332 T CA -0.600 61.516 62.100 0.027 0.000 1.135 332 T CB 0.366 69.250 68.868 0.026 0.000 0.936 332 T HN 0.079 nan 8.240 nan 0.000 0.539 333 D N 2.076 122.516 120.400 0.068 0.000 2.443 333 D HA 0.378 5.018 4.640 0.001 0.000 0.239 333 D C 1.541 177.961 176.300 0.200 0.000 1.136 333 D CA 1.489 55.575 54.000 0.144 0.000 0.879 333 D CB 0.624 41.462 40.800 0.064 0.000 1.195 333 D HN 1.064 nan 8.370 nan 0.000 0.443 334 G N 1.704 110.659 108.800 0.259 0.000 2.194 334 G HA2 -0.261 3.699 3.960 0.001 0.000 0.236 334 G HA3 -0.261 3.699 3.960 0.001 0.000 0.236 334 G C 0.518 175.505 174.900 0.145 0.000 0.987 334 G CA 0.187 45.402 45.100 0.193 0.000 0.635 334 G HN 0.563 nan 8.290 nan 0.000 0.520 335 T N 1.630 116.272 114.554 0.147 0.000 2.769 335 T HA 0.409 4.760 4.350 0.001 0.000 0.293 335 T C 0.429 175.208 174.700 0.132 0.000 0.931 335 T CA 0.421 62.596 62.100 0.124 0.000 1.139 335 T CB 1.375 70.319 68.868 0.125 0.000 0.881 335 T HN 0.537 nan 8.240 nan 0.000 0.532 336 Q N 3.401 123.266 119.800 0.108 0.000 2.314 336 Q HA 0.372 4.713 4.340 0.001 0.000 0.258 336 Q C 0.215 176.275 176.000 0.100 0.000 0.954 336 Q CA -0.780 55.083 55.803 0.100 0.000 0.890 336 Q CB 0.668 29.455 28.738 0.083 0.000 1.210 336 Q HN 0.648 nan 8.270 nan 0.000 0.410 337 V N 1.671 121.640 119.914 0.092 0.000 3.133 337 V HA 0.412 4.533 4.120 0.001 0.000 0.305 337 V C -0.434 175.707 176.094 0.077 0.000 1.084 337 V CA -0.237 62.120 62.300 0.093 0.000 1.089 337 V CB 1.149 33.005 31.823 0.054 0.000 1.073 337 V HN 1.018 nan 8.190 nan 0.000 0.477 338 Q N 2.033 121.894 119.800 0.101 0.000 2.693 338 Q HA 0.691 5.031 4.340 0.001 0.000 0.306 338 Q C -1.524 174.571 176.000 0.159 0.000 0.969 338 Q CA -1.151 54.724 55.803 0.120 0.000 0.757 338 Q CB 2.150 30.968 28.738 0.133 0.000 1.494 338 Q HN 0.682 nan 8.270 nan 0.000 0.459 339 L N 1.136 122.466 121.223 0.178 0.000 2.325 339 L HA 0.647 4.987 4.340 0.001 0.000 0.279 339 L C -1.244 175.786 176.870 0.266 0.000 1.054 339 L CA -0.771 54.187 54.840 0.197 0.000 0.804 339 L CB 0.939 43.082 42.059 0.141 0.000 1.200 339 L HN 0.636 nan 8.230 nan 0.000 0.436 340 Y N 0.982 121.346 120.300 0.108 0.000 2.592 340 Y HA 0.209 4.760 4.550 0.001 0.000 0.334 340 Y C -0.699 175.276 175.900 0.125 0.000 1.136 340 Y CA -1.196 56.971 58.100 0.112 0.000 1.042 340 Y CB 1.581 40.123 38.460 0.138 0.000 1.325 340 Y HN 0.549 nan 8.280 nan 0.000 0.457 341 D N 2.683 122.824 120.400 -0.431 0.000 2.583 341 D HA -0.010 4.631 4.640 0.001 0.000 0.232 341 D C -0.152 176.270 176.300 0.203 0.000 1.128 341 D CA 0.804 54.717 54.000 -0.146 0.000 0.859 341 D CB 0.441 41.075 40.800 -0.276 0.000 1.169 341 D HN 0.479 nan 8.370 nan 0.000 0.481 342 c N 3.007 121.703 118.600 0.160 0.000 2.644 342 c HA 0.395 4.965 4.570 0.001 0.000 0.417 342 c C 0.474 174.729 174.090 0.274 0.000 1.304 342 c CA -0.029 56.413 56.329 0.188 0.000 2.035 342 c CB -1.112 41.461 42.510 0.104 0.000 2.673 342 c HN 0.815 nan 8.230 nan 0.000 0.602 343 H N -1.988 117.139 119.070 0.095 0.000 3.081 343 H HA 0.283 4.840 4.556 0.001 0.000 0.322 343 H C -0.568 174.798 175.328 0.062 0.000 1.266 343 H CA -0.547 55.546 56.048 0.076 0.000 1.279 343 H CB -0.082 29.735 29.762 0.092 0.000 1.954 343 H HN 0.284 nan 8.280 nan 0.000 0.530 344 S N 1.306 117.039 115.700 0.054 0.000 3.902 344 S HA 0.374 4.844 4.470 0.001 0.000 0.176 344 S C 0.253 174.834 174.600 -0.031 0.000 1.153 344 S CA 0.306 58.502 58.200 -0.007 0.000 0.954 344 S CB -1.330 61.890 63.200 0.034 0.000 1.530 344 S HN 0.730 nan 8.310 nan 0.000 0.445 345 A N 1.291 124.002 122.820 -0.182 0.000 2.337 345 A HA 0.605 4.926 4.320 0.001 0.000 0.331 345 A C 1.448 178.951 177.584 -0.135 0.000 1.137 345 A CA -0.560 51.408 52.037 -0.114 0.000 0.807 345 A CB 0.537 19.461 19.000 -0.126 0.000 1.250 345 A HN 0.466 nan 8.150 nan 0.000 0.468 346 T N -0.560 113.953 114.554 -0.067 0.000 2.881 346 T HA -0.169 4.182 4.350 0.001 0.000 0.270 346 T C 0.978 175.546 174.700 -0.221 0.000 1.068 346 T CA 1.506 63.550 62.100 -0.093 0.000 1.131 346 T CB -0.540 68.342 68.868 0.023 0.000 0.871 346 T HN 0.768 nan 8.240 nan 0.000 0.479 347 N N 0.878 119.492 118.700 -0.144 0.000 2.485 347 N HA -0.013 4.728 4.740 0.001 0.000 0.199 347 N C 1.106 176.418 175.510 -0.330 0.000 1.236 347 N CA 0.127 53.021 53.050 -0.259 0.000 0.852 347 N CB -0.026 38.468 38.487 0.010 0.000 1.018 347 N HN 0.575 nan 8.380 nan 0.000 0.457 348 Q N -0.465 119.134 119.800 -0.336 0.000 2.113 348 Q HA 0.175 4.515 4.340 0.001 0.000 0.225 348 Q C -0.504 175.368 176.000 -0.215 0.000 0.786 348 Q CA -0.120 55.574 55.803 -0.181 0.000 0.989 348 Q CB 0.921 29.573 28.738 -0.144 0.000 1.174 348 Q HN 0.420 nan 8.270 nan 0.000 0.470 349 Q N 0.360 119.915 119.800 -0.408 0.000 2.360 349 Q HA 0.185 4.526 4.340 0.001 0.000 0.254 349 Q C -1.419 174.289 176.000 -0.485 0.000 0.975 349 Q CA -0.073 55.556 55.803 -0.289 0.000 0.912 349 Q CB 0.715 29.332 28.738 -0.201 0.000 1.212 349 Q HN 0.073 nan 8.270 nan 0.000 0.452 350 W N 1.487 122.719 121.300 -0.114 0.000 2.520 350 W HA 0.363 5.023 4.660 0.001 0.000 0.323 350 W C -0.113 176.376 176.519 -0.049 0.000 1.062 350 W CA -0.500 56.779 57.345 -0.110 0.000 1.215 350 W CB 1.758 31.128 29.460 -0.150 0.000 1.340 350 W HN 0.262 nan 8.180 nan 0.000 0.516 351 T N 2.945 117.609 114.554 0.183 0.000 2.779 351 T HA 0.167 4.517 4.350 0.001 0.000 0.280 351 T C -1.508 173.338 174.700 0.243 0.000 0.987 351 T CA -0.437 61.758 62.100 0.158 0.000 0.966 351 T CB 0.501 69.418 68.868 0.081 0.000 0.933 351 T HN 0.151 nan 8.240 nan 0.000 0.442 352 Y N 4.468 124.811 120.300 0.071 0.000 2.404 352 Y HA 0.390 4.941 4.550 0.001 0.000 0.344 352 Y C 0.896 176.832 175.900 0.059 0.000 0.970 352 Y CA -1.300 56.839 58.100 0.065 0.000 1.180 352 Y CB -0.034 38.451 38.460 0.042 0.000 1.138 352 Y HN 0.730 nan 8.280 nan 0.000 0.510 353 T N 0.823 115.322 114.554 -0.092 0.000 2.816 353 T HA 0.132 4.482 4.350 0.001 0.000 0.282 353 T C 0.866 175.385 174.700 -0.302 0.000 0.993 353 T CA -0.571 61.446 62.100 -0.139 0.000 0.994 353 T CB 0.902 69.740 68.868 -0.050 0.000 1.025 353 T HN 0.534 nan 8.240 nan 0.000 0.529 354 D N 0.738 121.036 120.400 -0.170 0.000 2.263 354 D HA -0.002 4.638 4.640 0.001 0.000 0.208 354 D C 2.110 178.325 176.300 -0.142 0.000 0.971 354 D CA 1.295 55.204 54.000 -0.152 0.000 0.867 354 D CB -0.478 40.285 40.800 -0.062 0.000 0.929 354 D HN 0.754 nan 8.370 nan 0.000 0.492 355 A N -0.425 122.323 122.820 -0.120 0.000 2.119 355 A HA 0.348 4.668 4.320 0.001 0.000 0.216 355 A C 1.761 179.276 177.584 -0.116 0.000 1.152 355 A CA 1.273 53.259 52.037 -0.085 0.000 0.708 355 A CB 0.002 18.969 19.000 -0.054 0.000 0.805 355 A HN 0.259 nan 8.150 nan 0.000 0.460 356 G N -0.693 107.977 108.800 -0.217 0.000 2.138 356 G HA2 -0.158 3.803 3.960 0.001 0.000 0.193 356 G HA3 -0.158 3.803 3.960 0.001 0.000 0.193 356 G C -0.262 174.712 174.900 0.124 0.000 0.998 356 G CA 0.131 45.134 45.100 -0.162 0.000 0.668 356 G HN 0.596 nan 8.290 nan 0.000 0.516 357 E N -0.614 119.642 120.200 0.093 0.000 2.283 357 E HA 0.702 5.052 4.350 0.001 0.000 0.267 357 E C 0.078 176.908 176.600 0.384 0.000 1.045 357 E CA -0.692 55.868 56.400 0.267 0.000 0.884 357 E CB 1.483 31.271 29.700 0.148 0.000 1.106 357 E HN 0.187 nan 8.360 nan 0.000 0.408 358 L N 2.580 124.035 121.223 0.387 0.000 2.337 358 L HA 0.370 4.710 4.340 0.001 0.000 0.269 358 L C -0.219 176.896 176.870 0.409 0.000 1.018 358 L CA -0.360 54.667 54.840 0.312 0.000 0.876 358 L CB 0.521 42.547 42.059 -0.054 0.000 1.236 358 L HN 0.285 nan 8.230 nan 0.000 0.436 359 R N 1.892 122.574 120.500 0.304 0.000 2.404 359 R HA 0.657 4.997 4.340 0.001 0.000 0.291 359 R C -0.834 175.440 176.300 -0.042 0.000 1.025 359 R CA -0.599 55.602 56.100 0.169 0.000 0.991 359 R CB 2.725 33.082 30.300 0.095 0.000 1.053 359 R HN 0.254 nan 8.270 nan 0.000 0.479 360 V N 3.914 123.656 119.914 -0.287 0.000 2.841 360 V HA 0.253 4.373 4.120 0.001 0.000 0.310 360 V C -1.124 174.690 176.094 -0.467 0.000 1.090 360 V CA -0.437 61.404 62.300 -0.766 0.000 0.930 360 V CB 1.169 32.010 31.823 -1.638 0.000 1.014 360 V HN 0.905 nan 8.190 nan 0.000 0.425 361 Y N 4.145 124.311 120.300 -0.224 0.000 4.668 361 Y HA -0.203 4.347 4.550 0.001 0.000 0.234 361 Y C 1.667 177.519 175.900 -0.081 0.000 1.056 361 Y CA 1.348 59.367 58.100 -0.135 0.000 2.025 361 Y CB -1.952 36.438 38.460 -0.116 0.000 1.613 361 Y HN 1.684 nan 8.280 nan 0.000 0.653 362 G N -0.562 108.257 108.800 0.033 0.000 2.609 362 G HA2 -0.420 3.541 3.960 0.001 0.000 0.235 362 G HA3 -0.420 3.541 3.960 0.001 0.000 0.235 362 G C 0.596 175.526 174.900 0.050 0.000 1.177 362 G CA 0.956 46.077 45.100 0.034 0.000 0.707 362 G HN 0.515 nan 8.290 nan 0.000 0.513 363 D N 0.112 120.558 120.400 0.076 0.000 2.582 363 D HA 0.282 4.923 4.640 0.001 0.000 0.246 363 D C 0.198 176.559 176.300 0.102 0.000 1.334 363 D CA -0.052 53.994 54.000 0.077 0.000 0.805 363 D CB 0.173 41.008 40.800 0.058 0.000 1.087 363 D HN 0.203 nan 8.370 nan 0.000 0.499 364 K N 0.183 120.657 120.400 0.123 0.000 2.182 364 K HA 0.482 4.802 4.320 0.001 0.000 0.262 364 K C -0.788 175.913 176.600 0.169 0.000 0.957 364 K CA -0.546 55.835 56.287 0.157 0.000 0.842 364 K CB 1.709 34.343 32.500 0.225 0.000 1.099 364 K HN -0.011 nan 8.250 nan 0.000 0.438 365 c N 2.503 121.245 118.600 0.237 0.000 2.456 365 c HA 0.355 4.925 4.570 0.001 0.000 0.325 365 c C -0.048 174.257 174.090 0.358 0.000 1.217 365 c CA -0.982 55.521 56.329 0.289 0.000 1.687 365 c CB 0.846 43.505 42.510 0.249 0.000 2.270 365 c HN 0.724 nan 8.230 nan 0.000 0.499 366 L N 4.271 125.727 121.223 0.388 0.000 2.513 366 L HA 0.242 4.583 4.340 0.001 0.000 0.272 366 L C 0.097 177.241 176.870 0.458 0.000 1.187 366 L CA 1.331 56.336 54.840 0.275 0.000 0.895 366 L CB -0.085 41.877 42.059 -0.162 0.000 1.147 366 L HN 0.669 nan 8.230 nan 0.000 0.483 367 D N 4.306 124.933 120.400 0.379 0.000 2.646 367 D HA 0.548 5.188 4.640 0.001 0.000 0.245 367 D C -1.425 175.048 176.300 0.287 0.000 1.099 367 D CA -0.487 53.717 54.000 0.340 0.000 0.849 367 D CB 2.154 43.135 40.800 0.302 0.000 1.448 367 D HN 0.679 nan 8.370 nan 0.000 0.489 368 A N 2.263 125.209 122.820 0.211 0.000 2.260 368 A HA 0.613 4.933 4.320 0.001 0.000 0.314 368 A C 0.273 177.891 177.584 0.057 0.000 1.257 368 A CA -0.418 51.708 52.037 0.149 0.000 0.871 368 A CB 1.144 20.198 19.000 0.090 0.000 1.166 368 A HN 0.535 nan 8.150 nan 0.000 0.522 369 A N 2.436 125.287 122.820 0.051 0.000 2.929 369 A HA 0.593 4.913 4.320 0.001 0.000 0.279 369 A C 0.863 178.453 177.584 0.010 0.000 1.418 369 A CA 0.568 52.611 52.037 0.010 0.000 1.035 369 A CB -0.991 18.015 19.000 0.011 0.000 1.047 369 A HN 2.290 nan 8.150 nan 0.000 0.609 370 G N -1.610 107.196 108.800 0.009 0.000 2.341 370 G HA2 0.353 4.313 3.960 0.001 0.000 0.293 370 G HA3 0.353 4.313 3.960 0.001 0.000 0.293 370 G C 0.076 174.973 174.900 -0.006 0.000 1.298 370 G CA 0.372 45.474 45.100 0.003 0.000 0.868 370 G HN 0.724 nan 8.290 nan 0.000 0.540 371 T N -2.509 112.038 114.554 -0.012 0.000 3.058 371 T HA 0.561 4.912 4.350 0.001 0.000 0.278 371 T C 1.032 175.715 174.700 -0.028 0.000 0.974 371 T CA 1.162 63.247 62.100 -0.025 0.000 0.893 371 T CB 0.762 69.610 68.868 -0.033 0.000 1.138 371 T HN 1.543 nan 8.240 nan 0.000 0.529 372 G N 1.093 109.879 108.800 -0.024 0.000 2.521 372 G HA2 0.518 4.479 3.960 0.001 0.000 0.323 372 G HA3 0.518 4.479 3.960 0.001 0.000 0.323 372 G C -0.477 174.390 174.900 -0.056 0.000 1.211 372 G CA -0.859 44.213 45.100 -0.046 0.000 0.979 372 G HN 0.202 nan 8.290 nan 0.000 0.490 373 N N -0.377 118.244 118.700 -0.131 0.000 2.407 373 N HA 0.228 4.968 4.740 0.001 0.000 0.250 373 N C 1.354 176.861 175.510 -0.005 0.000 1.236 373 N CA 1.558 54.488 53.050 -0.199 0.000 0.879 373 N CB 1.130 39.305 38.487 -0.520 0.000 1.088 373 N HN 1.135 nan 8.380 nan 0.000 0.450 374 G N 0.690 109.570 108.800 0.134 0.000 2.225 374 G HA2 -0.295 3.665 3.960 0.001 0.000 0.254 374 G HA3 -0.295 3.665 3.960 0.001 0.000 0.254 374 G C 0.243 175.205 174.900 0.104 0.000 0.988 374 G CA 0.419 45.611 45.100 0.152 0.000 0.625 374 G HN 0.626 nan 8.290 nan 0.000 0.527 375 T N 2.293 116.896 114.554 0.081 0.000 2.866 375 T HA 0.381 4.731 4.350 0.001 0.000 0.293 375 T C 0.849 175.604 174.700 0.091 0.000 1.005 375 T CA 0.969 63.112 62.100 0.072 0.000 1.162 375 T CB 0.653 69.557 68.868 0.061 0.000 0.968 375 T HN 0.843 nan 8.240 nan 0.000 0.530 376 K N 2.246 122.694 120.400 0.080 0.000 2.270 376 K HA 0.433 4.754 4.320 0.001 0.000 0.276 376 K C -0.853 175.804 176.600 0.095 0.000 1.023 376 K CA -0.790 55.547 56.287 0.084 0.000 0.955 376 K CB 0.701 33.246 32.500 0.074 0.000 0.975 376 K HN 0.234 nan 8.250 nan 0.000 0.471 377 V N 4.264 124.229 119.914 0.085 0.000 2.394 377 V HA 0.199 4.320 4.120 0.001 0.000 0.282 377 V C -0.072 176.069 176.094 0.077 0.000 1.031 377 V CA -0.380 61.970 62.300 0.085 0.000 0.881 377 V CB 0.596 32.418 31.823 -0.002 0.000 0.982 377 V HN 1.041 nan 8.190 nan 0.000 0.451 378 Q N 5.164 125.038 119.800 0.123 0.000 3.093 378 Q HA 0.783 5.123 4.340 0.001 0.000 0.330 378 Q C -0.870 175.258 176.000 0.214 0.000 0.947 378 Q CA -1.094 54.801 55.803 0.153 0.000 0.801 378 Q CB 2.561 31.395 28.738 0.159 0.000 1.470 378 Q HN 0.658 nan 8.270 nan 0.000 0.498 379 I N -2.274 118.448 120.570 0.253 0.000 2.603 379 I HA 0.802 4.973 4.170 0.001 0.000 0.300 379 I C -1.466 174.869 176.117 0.364 0.000 1.017 379 I CA -1.054 60.428 61.300 0.304 0.000 1.098 379 I CB 1.824 39.992 38.000 0.279 0.000 1.279 379 I HN 0.734 nan 8.210 nan 0.000 0.437 380 Y N 2.332 122.755 120.300 0.205 0.000 2.624 380 Y HA 0.440 4.991 4.550 0.001 0.000 0.334 380 Y C -0.518 175.511 175.900 0.215 0.000 1.155 380 Y CA -0.734 57.485 58.100 0.198 0.000 1.046 380 Y CB 2.147 40.742 38.460 0.224 0.000 1.316 380 Y HN 0.764 nan 8.280 nan 0.000 0.457 381 S N 1.909 117.450 115.700 -0.265 0.000 2.552 381 S HA 0.077 4.547 4.470 0.001 0.000 0.289 381 S C -0.518 174.232 174.600 0.251 0.000 1.304 381 S CA -0.173 57.990 58.200 -0.062 0.000 1.063 381 S CB -0.326 62.742 63.200 -0.220 0.000 0.848 381 S HN 0.611 nan 8.310 nan 0.000 0.499 382 c N 5.457 124.187 118.600 0.217 0.000 2.629 382 c HA 0.221 4.792 4.570 0.001 0.000 0.410 382 c C 1.471 175.743 174.090 0.303 0.000 1.339 382 c CA -0.509 55.953 56.329 0.223 0.000 1.810 382 c CB -1.099 41.492 42.510 0.135 0.000 2.549 382 c HN 1.081 nan 8.230 nan 0.000 0.589 383 W N 1.129 122.496 121.300 0.112 0.000 1.857 383 W HA 0.377 5.038 4.660 0.001 0.000 0.244 383 W C 0.704 177.264 176.519 0.069 0.000 0.859 383 W CA 0.184 57.581 57.345 0.087 0.000 1.112 383 W CB -0.736 28.790 29.460 0.110 0.000 0.967 383 W HN 0.908 nan 8.180 nan 0.000 0.524 384 G N 1.400 109.963 108.800 -0.393 0.000 2.159 384 G HA2 -0.133 3.828 3.960 0.001 0.000 0.227 384 G HA3 -0.133 3.828 3.960 0.001 0.000 0.227 384 G C 0.552 175.007 174.900 -0.741 0.000 0.986 384 G CA -0.215 44.643 45.100 -0.403 0.000 0.651 384 G HN 0.631 nan 8.290 nan 0.000 0.523 385 G N -0.382 107.446 108.800 -1.620 0.000 2.544 385 G HA2 0.431 4.391 3.960 0.001 0.000 0.242 385 G HA3 0.431 4.391 3.960 0.001 0.000 0.242 385 G C 0.583 175.102 174.900 -0.637 0.000 1.247 385 G CA 0.372 44.641 45.100 -1.386 0.000 0.840 385 G HN 0.057 nan 8.290 nan 0.000 0.578 386 D N 0.085 120.255 120.400 -0.385 0.000 2.350 386 D HA -0.119 4.522 4.640 0.001 0.000 0.216 386 D C 1.946 178.024 176.300 -0.370 0.000 0.968 386 D CA 0.656 54.473 54.000 -0.306 0.000 0.894 386 D CB 0.174 40.856 40.800 -0.196 0.000 0.909 386 D HN 0.588 nan 8.370 nan 0.000 0.520 387 N N 0.220 118.720 118.700 -0.334 0.000 2.449 387 N HA -0.092 4.649 4.740 0.001 0.000 0.191 387 N C 0.656 175.932 175.510 -0.391 0.000 1.161 387 N CA 0.203 53.054 53.050 -0.332 0.000 0.863 387 N CB 0.116 38.520 38.487 -0.139 0.000 0.980 387 N HN 0.244 nan 8.380 nan 0.000 0.458 388 Q N -0.166 119.383 119.800 -0.420 0.000 2.135 388 Q HA 0.266 4.606 4.340 0.001 0.000 0.222 388 Q C -0.621 175.186 176.000 -0.323 0.000 0.808 388 Q CA -0.072 55.588 55.803 -0.238 0.000 1.049 388 Q CB 0.964 29.600 28.738 -0.169 0.000 1.168 388 Q HN 0.251 nan 8.270 nan 0.000 0.483 389 K N 0.298 120.302 120.400 -0.661 0.000 2.316 389 K HA 0.518 4.838 4.320 0.001 0.000 0.251 389 K C -1.418 174.725 176.600 -0.762 0.000 0.934 389 K CA -0.430 55.580 56.287 -0.463 0.000 0.802 389 K CB 1.499 33.836 32.500 -0.273 0.000 1.171 389 K HN -0.094 nan 8.250 nan 0.000 0.426 390 W N 0.779 122.112 121.300 0.056 0.000 2.975 390 W HA 0.505 5.165 4.660 0.001 0.000 0.342 390 W C -0.391 176.193 176.519 0.108 0.000 1.168 390 W CA -0.859 56.508 57.345 0.038 0.000 1.141 390 W CB 1.171 30.612 29.460 -0.032 0.000 1.445 390 W HN 0.159 nan 8.180 nan 0.000 0.560 391 R N 1.739 122.399 120.500 0.267 0.000 2.393 391 R HA 0.494 4.834 4.340 0.001 0.000 0.315 391 R C -0.976 175.369 176.300 0.076 0.000 0.952 391 R CA -0.882 55.324 56.100 0.178 0.000 0.842 391 R CB 1.243 31.602 30.300 0.098 0.000 1.163 391 R HN 0.388 nan 8.270 nan 0.000 0.450 392 L N 4.290 125.505 121.223 -0.013 0.000 2.302 392 L HA 0.256 4.596 4.340 0.001 0.000 0.285 392 L C -0.039 176.819 176.870 -0.020 0.000 1.090 392 L CA -0.599 54.167 54.840 -0.123 0.000 0.866 392 L CB 0.178 42.032 42.059 -0.341 0.000 1.244 392 L HN 0.445 nan 8.230 nan 0.000 0.435 393 N N 0.858 119.564 118.700 0.010 0.000 2.482 393 N HA 0.008 4.749 4.740 0.001 0.000 0.260 393 N C 1.243 176.763 175.510 0.016 0.000 1.236 393 N CA 0.055 53.121 53.050 0.026 0.000 0.938 393 N CB 1.545 40.054 38.487 0.037 0.000 1.128 393 N HN 0.536 nan 8.380 nan 0.000 0.448 394 S N -0.021 115.688 115.700 0.014 0.000 2.442 394 S HA -0.187 4.283 4.470 0.001 0.000 0.236 394 S C 1.000 175.605 174.600 0.007 0.000 1.007 394 S CA 1.137 59.342 58.200 0.007 0.000 0.965 394 S CB -0.182 63.020 63.200 0.003 0.000 0.773 394 S HN 0.716 nan 8.310 nan 0.000 0.504 395 D N 0.734 121.141 120.400 0.012 0.000 2.363 395 D HA 0.159 4.800 4.640 0.001 0.000 0.226 395 D C 1.452 177.758 176.300 0.010 0.000 1.020 395 D CA 0.787 54.791 54.000 0.008 0.000 0.892 395 D CB -0.676 40.129 40.800 0.009 0.000 0.900 395 D HN 0.652 nan 8.370 nan 0.000 0.531 396 G N 0.202 109.016 108.800 0.024 0.000 2.194 396 G HA2 -0.269 3.691 3.960 0.001 0.000 0.236 396 G HA3 -0.269 3.691 3.960 0.001 0.000 0.236 396 G C 0.359 175.330 174.900 0.118 0.000 0.987 396 G CA 0.373 45.501 45.100 0.047 0.000 0.635 396 G HN 0.808 nan 8.290 nan 0.000 0.520 397 S N -0.238 115.523 115.700 0.101 0.000 2.617 397 S HA 0.765 5.235 4.470 0.001 0.000 0.269 397 S C 0.016 174.692 174.600 0.128 0.000 1.292 397 S CA -0.592 57.705 58.200 0.161 0.000 1.010 397 S CB 1.924 65.187 63.200 0.104 0.000 0.944 397 S HN 0.617 nan 8.310 nan 0.000 0.536 398 I N 2.174 122.821 120.570 0.129 0.000 2.411 398 I HA 0.336 4.507 4.170 0.001 0.000 0.284 398 I C -1.072 175.115 176.117 0.117 0.000 1.012 398 I CA -0.855 60.444 61.300 -0.002 0.000 1.119 398 I CB 1.781 39.592 38.000 -0.314 0.000 1.261 398 I HN 0.422 nan 8.210 nan 0.000 0.448 399 V N 4.794 124.809 119.914 0.168 0.000 2.483 399 V HA 0.528 4.648 4.120 0.001 0.000 0.295 399 V C 0.767 177.011 176.094 0.251 0.000 1.035 399 V CA -0.687 61.727 62.300 0.190 0.000 0.896 399 V CB 1.651 33.527 31.823 0.089 0.000 0.986 399 V HN 0.835 nan 8.190 nan 0.000 0.447 400 G N 2.459 111.363 108.800 0.173 0.000 2.364 400 G HA2 0.385 4.346 3.960 0.001 0.000 0.267 400 G HA3 0.385 4.346 3.960 0.001 0.000 0.267 400 G C 0.883 175.634 174.900 -0.248 0.000 1.233 400 G CA -0.288 44.656 45.100 -0.260 0.000 0.885 400 G HN 0.555 nan 8.290 nan 0.000 0.490 401 V N 2.160 121.872 119.914 -0.336 0.000 2.287 401 V HA -0.269 3.852 4.120 0.001 0.000 0.248 401 V C 2.865 178.844 176.094 -0.191 0.000 1.053 401 V CA 2.438 64.606 62.300 -0.220 0.000 1.027 401 V CB -0.580 31.109 31.823 -0.223 0.000 0.646 401 V HN 0.867 nan 8.190 nan 0.000 0.447 402 Q N 0.099 119.754 119.800 -0.242 0.000 2.079 402 Q HA -0.178 4.162 4.340 0.001 0.000 0.200 402 Q C 2.332 178.260 176.000 -0.121 0.000 0.974 402 Q CA 2.092 57.795 55.803 -0.166 0.000 0.840 402 Q CB -0.050 28.581 28.738 -0.177 0.000 0.898 402 Q HN 0.771 nan 8.270 nan 0.000 0.430 403 S N -1.995 113.624 115.700 -0.135 0.000 2.470 403 S HA 0.183 4.654 4.470 0.001 0.000 0.222 403 S C 1.450 176.015 174.600 -0.058 0.000 1.024 403 S CA 0.630 58.781 58.200 -0.081 0.000 0.931 403 S CB 0.446 63.606 63.200 -0.065 0.000 0.791 403 S HN 0.642 nan 8.310 nan 0.000 0.513 404 G N 0.814 109.577 108.800 -0.061 0.000 2.155 404 G HA2 -0.199 3.762 3.960 0.001 0.000 0.257 404 G HA3 -0.199 3.762 3.960 0.001 0.000 0.257 404 G C -0.171 174.727 174.900 -0.002 0.000 0.983 404 G CA 0.539 45.618 45.100 -0.034 0.000 0.676 404 G HN 0.473 nan 8.290 nan 0.000 0.528 405 L N -0.252 120.981 121.223 0.016 0.000 2.400 405 L HA 0.747 5.088 4.340 0.001 0.000 0.264 405 L C 0.983 177.926 176.870 0.122 0.000 1.061 405 L CA -1.012 53.860 54.840 0.053 0.000 0.799 405 L CB 1.304 43.387 42.059 0.040 0.000 1.240 405 L HN 0.214 nan 8.230 nan 0.000 0.461 406 c N 1.007 119.695 118.600 0.146 0.000 2.365 406 c HA 0.473 5.043 4.570 0.001 0.000 0.349 406 c C 0.341 174.554 174.090 0.205 0.000 1.191 406 c CA -1.130 55.308 56.329 0.181 0.000 2.114 406 c CB 0.947 43.559 42.510 0.171 0.000 2.367 406 c HN 0.512 nan 8.230 nan 0.000 0.530 407 L N 3.348 124.675 121.223 0.173 0.000 2.455 407 L HA 0.207 4.547 4.340 0.001 0.000 0.272 407 L C 0.148 177.206 176.870 0.314 0.000 1.174 407 L CA 1.003 55.901 54.840 0.098 0.000 0.869 407 L CB 0.169 42.064 42.059 -0.273 0.000 1.130 407 L HN 0.695 nan 8.230 nan 0.000 0.474 408 D N 3.394 123.949 120.400 0.259 0.000 2.863 408 D HA 0.343 4.983 4.640 0.001 0.000 0.245 408 D C -0.931 175.479 176.300 0.183 0.000 1.211 408 D CA -0.497 53.637 54.000 0.224 0.000 0.888 408 D CB 2.241 43.145 40.800 0.174 0.000 1.483 408 D HN 0.507 nan 8.370 nan 0.000 0.533 409 A N 4.031 126.931 122.820 0.135 0.000 2.437 409 A HA 0.372 4.692 4.320 0.001 0.000 0.303 409 A C 0.548 178.138 177.584 0.010 0.000 1.324 409 A CA -0.469 51.622 52.037 0.089 0.000 0.983 409 A CB 0.005 19.017 19.000 0.020 0.000 1.142 409 A HN 0.463 nan 8.150 nan 0.000 0.541 410 V N 2.895 122.822 119.914 0.021 0.000 2.814 410 V HA 0.027 4.147 4.120 0.001 0.000 0.298 410 V C 1.789 177.856 176.094 -0.046 0.000 1.195 410 V CA 1.973 64.264 62.300 -0.015 0.000 1.323 410 V CB -0.746 31.087 31.823 0.017 0.000 0.842 410 V HN 1.920 nan 8.190 nan 0.000 0.494 411 G N 3.833 112.579 108.800 -0.092 0.000 2.200 411 G HA2 -0.073 3.888 3.960 0.001 0.000 0.267 411 G HA3 -0.073 3.888 3.960 0.001 0.000 0.267 411 G C 1.211 176.061 174.900 -0.084 0.000 0.993 411 G CA 0.834 45.880 45.100 -0.089 0.000 0.701 411 G HN 2.576 nan 8.290 nan 0.000 0.524 412 G N -1.597 107.148 108.800 -0.091 0.000 2.153 412 G HA2 0.166 4.126 3.960 0.001 0.000 0.252 412 G HA3 0.166 4.126 3.960 0.001 0.000 0.252 412 G C 1.363 176.221 174.900 -0.071 0.000 0.994 412 G CA 0.914 45.960 45.100 -0.090 0.000 0.698 412 G HN 2.124 nan 8.290 nan 0.000 0.521 413 G N -0.904 107.866 108.800 -0.049 0.000 2.559 413 G HA2 0.508 4.469 3.960 0.001 0.000 0.235 413 G HA3 0.508 4.469 3.960 0.001 0.000 0.235 413 G C 1.056 175.933 174.900 -0.039 0.000 1.266 413 G CA 1.119 46.199 45.100 -0.033 0.000 0.847 413 G HN 1.394 nan 8.290 nan 0.000 0.583 414 T N -2.391 112.143 114.554 -0.035 0.000 3.041 414 T HA 0.570 4.920 4.350 0.001 0.000 0.276 414 T C 0.942 175.625 174.700 -0.028 0.000 0.948 414 T CA 0.653 62.729 62.100 -0.041 0.000 0.885 414 T CB 0.224 69.059 68.868 -0.056 0.000 1.175 414 T HN 0.932 nan 8.240 nan 0.000 0.529 415 A N 2.083 124.893 122.820 -0.017 0.000 2.287 415 A HA 0.592 4.912 4.320 0.001 0.000 0.273 415 A C 0.211 177.797 177.584 0.004 0.000 1.091 415 A CA -0.686 51.341 52.037 -0.017 0.000 0.817 415 A CB 0.065 19.060 19.000 -0.009 0.000 1.069 415 A HN 0.382 nan 8.150 nan 0.000 0.492 416 N N 0.003 118.693 118.700 -0.016 0.000 2.412 416 N HA 0.303 5.044 4.740 0.001 0.000 0.254 416 N C 1.082 176.670 175.510 0.131 0.000 1.232 416 N CA 1.711 54.785 53.050 0.041 0.000 0.880 416 N CB 0.896 39.348 38.487 -0.058 0.000 1.076 416 N HN 1.272 nan 8.380 nan 0.000 0.458 417 G N 0.940 109.857 108.800 0.194 0.000 2.176 417 G HA2 -0.265 3.695 3.960 0.001 0.000 0.232 417 G HA3 -0.265 3.695 3.960 0.001 0.000 0.232 417 G C 0.159 175.122 174.900 0.104 0.000 0.986 417 G CA 0.080 45.270 45.100 0.148 0.000 0.643 417 G HN 0.597 nan 8.290 nan 0.000 0.522 418 T N 2.462 117.072 114.554 0.093 0.000 2.853 418 T HA 0.464 4.814 4.350 0.001 0.000 0.298 418 T C 1.053 175.803 174.700 0.084 0.000 0.978 418 T CA 0.182 62.325 62.100 0.070 0.000 1.152 418 T CB 0.801 69.701 68.868 0.053 0.000 0.914 418 T HN 0.364 nan 8.240 nan 0.000 0.539 419 L N 3.651 124.916 121.223 0.071 0.000 2.456 419 L HA 0.448 4.789 4.340 0.001 0.000 0.257 419 L C 0.264 177.180 176.870 0.077 0.000 1.162 419 L CA -0.958 53.926 54.840 0.073 0.000 0.808 419 L CB 0.381 42.479 42.059 0.064 0.000 1.136 419 L HN 0.382 nan 8.230 nan 0.000 0.466 420 I N 1.222 121.833 120.570 0.068 0.000 2.441 420 I HA 0.383 4.553 4.170 0.001 0.000 0.295 420 I C -0.105 176.049 176.117 0.062 0.000 0.994 420 I CA -0.315 61.023 61.300 0.062 0.000 1.144 420 I CB 1.505 39.498 38.000 -0.012 0.000 1.314 420 I HN 0.746 nan 8.210 nan 0.000 0.445 421 Q N 5.354 125.207 119.800 0.089 0.000 2.687 421 Q HA 0.732 5.072 4.340 0.001 0.000 0.305 421 Q C -1.773 174.317 176.000 0.151 0.000 1.006 421 Q CA -1.030 54.842 55.803 0.116 0.000 0.763 421 Q CB 2.461 31.281 28.738 0.137 0.000 1.506 421 Q HN 0.438 nan 8.270 nan 0.000 0.459 422 L N 1.085 122.410 121.223 0.171 0.000 2.309 422 L HA 0.646 4.987 4.340 0.001 0.000 0.282 422 L C -1.321 175.684 176.870 0.225 0.000 1.036 422 L CA -0.828 54.122 54.840 0.184 0.000 0.806 422 L CB 1.065 43.209 42.059 0.143 0.000 1.220 422 L HN 0.650 nan 8.230 nan 0.000 0.429 423 Y N 0.388 120.733 120.300 0.075 0.000 2.592 423 Y HA 0.174 4.724 4.550 0.001 0.000 0.334 423 Y C -0.048 175.883 175.900 0.050 0.000 1.136 423 Y CA -0.953 57.180 58.100 0.055 0.000 1.042 423 Y CB 1.936 40.427 38.460 0.050 0.000 1.325 423 Y HN 0.643 nan 8.280 nan 0.000 0.457 424 S N 1.765 117.381 115.700 -0.139 0.000 2.575 424 S HA 0.060 4.531 4.470 0.001 0.000 0.295 424 S C -0.007 174.680 174.600 0.145 0.000 1.267 424 S CA -0.592 57.603 58.200 -0.008 0.000 1.074 424 S CB -0.539 62.614 63.200 -0.078 0.000 0.829 424 S HN 0.675 nan 8.310 nan 0.000 0.497 425 c N 4.092 122.751 118.600 0.098 0.000 2.596 425 c HA 0.333 4.903 4.570 0.001 0.000 0.414 425 c C 1.898 176.039 174.090 0.085 0.000 1.396 425 c CA 0.168 56.556 56.329 0.099 0.000 1.698 425 c CB -0.739 41.813 42.510 0.069 0.000 2.572 425 c HN 1.099 nan 8.230 nan 0.000 0.604 426 S N 0.613 116.359 115.700 0.077 0.000 2.787 426 S HA 0.121 4.591 4.470 0.001 0.000 0.255 426 S C 0.527 175.138 174.600 0.019 0.000 1.051 426 S CA 0.419 58.649 58.200 0.051 0.000 1.124 426 S CB -0.567 62.668 63.200 0.057 0.000 1.104 426 S HN 0.928 nan 8.310 nan 0.000 0.623 427 N N 1.081 119.790 118.700 0.015 0.000 2.800 427 N HA -0.126 4.614 4.740 0.001 0.000 0.250 427 N C 0.293 175.782 175.510 -0.034 0.000 1.078 427 N CA 1.006 54.052 53.050 -0.007 0.000 0.804 427 N CB -1.641 36.843 38.487 -0.006 0.000 1.135 427 N HN 0.807 nan 8.380 nan 0.000 0.565 428 G N -1.096 107.680 108.800 -0.040 0.000 2.634 428 G HA2 0.332 4.292 3.960 0.001 0.000 0.255 428 G HA3 0.332 4.292 3.960 0.001 0.000 0.255 428 G C 1.042 175.870 174.900 -0.120 0.000 1.205 428 G CA 0.135 45.192 45.100 -0.071 0.000 0.884 428 G HN 0.680 nan 8.290 nan 0.000 0.549 429 S N -0.382 115.234 115.700 -0.140 0.000 2.522 429 S HA -0.118 4.352 4.470 0.001 0.000 0.227 429 S C 1.585 176.006 174.600 -0.299 0.000 0.986 429 S CA 0.924 59.007 58.200 -0.196 0.000 0.929 429 S CB -0.185 62.920 63.200 -0.158 0.000 0.769 429 S HN 0.716 nan 8.310 nan 0.000 0.529 430 N N 0.965 119.510 118.700 -0.260 0.000 2.322 430 N HA 0.035 4.776 4.740 0.001 0.000 0.194 430 N C 0.801 176.100 175.510 -0.352 0.000 1.126 430 N CA 0.043 52.905 53.050 -0.313 0.000 0.845 430 N CB -0.198 38.180 38.487 -0.181 0.000 0.976 430 N HN 0.582 nan 8.380 nan 0.000 0.475 431 Q N -0.289 119.319 119.800 -0.321 0.000 2.127 431 Q HA 0.283 4.624 4.340 0.001 0.000 0.222 431 Q C -0.397 175.437 176.000 -0.278 0.000 0.794 431 Q CA -0.212 55.505 55.803 -0.143 0.000 1.010 431 Q CB 1.273 30.023 28.738 0.022 0.000 1.170 431 Q HN 0.210 nan 8.270 nan 0.000 0.479 432 R N 0.040 120.180 120.500 -0.600 0.000 2.445 432 R HA 0.454 4.794 4.340 0.001 0.000 0.308 432 R C -1.430 174.416 176.300 -0.757 0.000 0.961 432 R CA -0.232 55.604 56.100 -0.440 0.000 0.862 432 R CB 1.106 31.261 30.300 -0.242 0.000 1.144 432 R HN -0.055 nan 8.270 nan 0.000 0.447 433 W N -0.024 121.224 121.300 -0.087 0.000 2.975 433 W HA 0.538 5.198 4.660 0.001 0.000 0.342 433 W C -0.112 176.354 176.519 -0.088 0.000 1.168 433 W CA -0.778 56.507 57.345 -0.101 0.000 1.141 433 W CB 1.765 31.136 29.460 -0.149 0.000 1.445 433 W HN 0.279 nan 8.180 nan 0.000 0.560 434 T N 1.015 115.662 114.554 0.157 0.000 2.933 434 T HA 0.542 4.892 4.350 0.001 0.000 0.305 434 T C -0.979 173.756 174.700 0.059 0.000 1.092 434 T CA -0.867 61.274 62.100 0.069 0.000 1.008 434 T CB 0.841 69.727 68.868 0.028 0.000 1.102 434 T HN 0.429 nan 8.240 nan 0.000 0.469 435 R N 2.664 123.180 120.500 0.027 0.000 2.368 435 R HA 0.627 4.967 4.340 0.001 0.000 0.302 435 R C 0.269 176.586 176.300 0.027 0.000 1.002 435 R CA -0.675 55.436 56.100 0.020 0.000 0.929 435 R CB 1.490 31.790 30.300 0.000 0.000 1.073 435 R HN 0.846 nan 8.270 nan 0.000 0.464 436 T N 0.000 114.575 114.554 0.035 0.000 3.816 436 T HA 0.000 4.351 4.350 0.001 0.000 0.228 436 T CA 0.000 62.119 62.100 0.032 0.000 1.349 436 T CB 0.000 68.888 68.868 0.034 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658