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 1v6x_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 NGGSSTPPPS GGGQIKGVGS 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 0.000 177.579 177.584 -0.008 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 E N 0.528 120.722 120.200 -0.011 0.000 2.866 2 E HA 0.091 4.441 4.350 0.001 0.000 0.149 2 E C 0.306 176.896 176.600 -0.017 0.000 0.884 2 E CA 0.527 56.916 56.400 -0.019 0.000 1.393 2 E CB -0.388 29.300 29.700 -0.020 0.000 0.986 2 E HN 0.855 nan 8.360 nan 0.000 0.440 3 S N -0.004 115.693 115.700 -0.005 0.000 2.511 3 S HA 0.093 4.564 4.470 0.001 0.000 0.214 3 S C 0.922 175.546 174.600 0.040 0.000 0.997 3 S CA 0.536 58.745 58.200 0.014 0.000 0.908 3 S CB 0.180 63.385 63.200 0.008 0.000 0.803 3 S HN 0.363 nan 8.310 nan 0.000 0.504 4 T N -1.002 113.557 114.554 0.010 0.000 2.907 4 T HA 0.647 4.997 4.350 0.001 0.000 0.292 4 T C 0.938 175.596 174.700 -0.069 0.000 1.043 4 T CA -0.954 61.151 62.100 0.009 0.000 1.003 4 T CB 1.269 70.122 68.868 -0.024 0.000 1.084 4 T HN 0.018 nan 8.240 nan 0.000 0.483 5 L N 1.640 122.771 121.223 -0.154 0.000 1.990 5 L HA 0.018 4.359 4.340 0.001 0.000 0.213 5 L C 3.016 179.849 176.870 -0.062 0.000 1.072 5 L CA 2.013 56.669 54.840 -0.306 0.000 0.755 5 L CB -1.241 40.453 42.059 -0.607 0.000 0.889 5 L HN 0.976 nan 8.230 nan 0.000 0.432 6 G N -0.347 108.482 108.800 0.049 0.000 2.491 6 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 6 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 6 G C 1.762 176.722 174.900 0.101 0.000 1.180 6 G CA 1.015 46.216 45.100 0.168 0.000 0.774 6 G HN 0.492 nan 8.290 nan 0.000 0.562 7 A N 0.991 123.834 122.820 0.039 0.000 1.940 7 A HA 0.231 4.551 4.320 0.001 0.000 0.219 7 A C 2.797 180.392 177.584 0.018 0.000 1.176 7 A CA 2.375 54.426 52.037 0.024 0.000 0.631 7 A CB -0.710 18.292 19.000 0.003 0.000 0.814 7 A HN 0.849 nan 8.150 nan 0.000 0.446 8 A N -0.252 122.567 122.820 -0.002 0.000 1.898 8 A HA 0.224 4.545 4.320 0.001 0.000 0.216 8 A C 2.498 180.093 177.584 0.018 0.000 1.181 8 A CA 1.885 53.913 52.037 -0.015 0.000 0.620 8 A CB -0.966 17.994 19.000 -0.067 0.000 0.819 8 A HN 1.027 nan 8.150 nan 0.000 0.442 9 A N -0.034 122.823 122.820 0.062 0.000 1.933 9 A HA 0.176 4.496 4.320 0.001 0.000 0.218 9 A C 2.453 180.082 177.584 0.074 0.000 1.175 9 A CA 1.924 54.022 52.037 0.102 0.000 0.628 9 A CB -0.984 18.145 19.000 0.215 0.000 0.814 9 A HN 1.096 nan 8.150 nan 0.000 0.444 10 A N -0.718 122.151 122.820 0.081 0.000 2.076 10 A HA -0.226 4.094 4.320 0.001 0.000 0.220 10 A C 2.011 179.619 177.584 0.039 0.000 1.160 10 A CA 1.647 53.724 52.037 0.067 0.000 0.653 10 A CB -0.553 18.485 19.000 0.064 0.000 0.801 10 A HN 0.677 nan 8.150 nan 0.000 0.455 11 Q N -0.008 119.808 119.800 0.027 0.000 2.234 11 Q HA -0.123 4.217 4.340 0.001 0.000 0.206 11 Q C 1.626 177.633 176.000 0.012 0.000 0.980 11 Q CA 1.593 57.404 55.803 0.014 0.000 0.869 11 Q CB -0.138 28.603 28.738 0.006 0.000 0.912 11 Q HN 0.809 nan 8.270 nan 0.000 0.436 12 S N -1.989 113.719 115.700 0.014 0.000 2.601 12 S HA 0.391 4.862 4.470 0.001 0.000 0.244 12 S C 1.000 175.605 174.600 0.009 0.000 1.001 12 S CA -0.003 58.201 58.200 0.006 0.000 0.984 12 S CB 0.895 64.094 63.200 -0.002 0.000 0.842 12 S HN 0.440 nan 8.310 nan 0.000 0.474 13 G N 1.466 110.279 108.800 0.022 0.000 2.153 13 G HA2 -0.278 3.682 3.960 0.001 0.000 0.252 13 G HA3 -0.278 3.682 3.960 0.001 0.000 0.252 13 G C 0.156 175.079 174.900 0.039 0.000 0.994 13 G CA 0.275 45.395 45.100 0.032 0.000 0.698 13 G HN 0.617 nan 8.290 nan 0.000 0.521 14 R N -1.205 119.311 120.500 0.027 0.000 2.843 14 R HA 0.752 5.092 4.340 0.001 0.000 0.232 14 R C -0.009 176.341 176.300 0.083 0.000 1.305 14 R CA -0.538 55.552 56.100 -0.017 0.000 1.096 14 R CB 0.766 31.007 30.300 -0.098 0.000 1.455 14 R HN 0.511 nan 8.270 nan 0.000 0.520 15 Y N -1.704 118.642 120.300 0.077 0.000 2.576 15 Y HA 0.669 5.219 4.550 0.001 0.000 0.346 15 Y C -1.385 174.607 175.900 0.153 0.000 1.018 15 Y CA -1.782 56.383 58.100 0.109 0.000 1.050 15 Y CB 1.199 39.700 38.460 0.068 0.000 1.280 15 Y HN 0.421 nan 8.280 nan 0.000 0.474 16 F N 1.820 122.010 119.950 0.400 0.000 2.553 16 F HA 0.785 5.312 4.527 0.001 0.000 0.335 16 F C -0.016 176.082 175.800 0.497 0.000 1.148 16 F CA -0.744 57.480 58.000 0.375 0.000 0.963 16 F CB 1.361 40.517 39.000 0.261 0.000 1.217 16 F HN 0.957 nan 8.300 nan 0.000 0.441 17 G N 2.003 111.004 108.800 0.335 0.000 2.932 17 G HA2 0.635 4.595 3.960 0.001 0.000 0.283 17 G HA3 0.635 4.595 3.960 0.001 0.000 0.283 17 G C -1.236 173.533 174.900 -0.219 0.000 1.336 17 G CA -0.637 44.566 45.100 0.170 0.000 1.056 17 G HN 0.606 nan 8.290 nan 0.000 0.522 18 T N -2.152 112.127 114.554 -0.457 0.000 2.787 18 T HA 0.629 4.979 4.350 0.001 0.000 0.297 18 T C -1.135 173.325 174.700 -0.400 0.000 1.221 18 T CA 0.171 61.898 62.100 -0.622 0.000 1.006 18 T CB 1.354 69.438 68.868 -1.306 0.000 1.328 18 T HN 1.251 nan 8.240 nan 0.000 0.509 19 A N 2.576 125.111 122.820 -0.474 0.000 2.276 19 A HA 0.706 5.026 4.320 0.001 0.000 0.316 19 A C -0.432 176.890 177.584 -0.436 0.000 1.229 19 A CA -0.602 51.054 52.037 -0.635 0.000 0.851 19 A CB 0.066 18.193 19.000 -1.455 0.000 1.165 19 A HN 0.652 nan 8.150 nan 0.000 0.513 20 I N 1.950 122.339 120.570 -0.302 0.000 2.392 20 I HA 0.473 4.643 4.170 0.001 0.000 0.295 20 I C 0.605 176.611 176.117 -0.185 0.000 0.985 20 I CA -0.245 60.949 61.300 -0.176 0.000 1.221 20 I CB 1.410 39.302 38.000 -0.180 0.000 1.366 20 I HN 0.700 nan 8.210 nan 0.000 0.467 21 A N 4.218 126.935 122.820 -0.171 0.000 2.258 21 A HA 0.427 4.747 4.320 0.001 0.000 0.316 21 A C 1.083 178.515 177.584 -0.252 0.000 1.279 21 A CA -0.266 51.642 52.037 -0.216 0.000 0.876 21 A CB 0.592 19.440 19.000 -0.253 0.000 1.170 21 A HN 0.843 nan 8.150 nan 0.000 0.520 22 S N 2.614 118.215 115.700 -0.165 0.000 2.402 22 S HA -0.168 4.303 4.470 0.001 0.000 0.233 22 S C 1.778 176.273 174.600 -0.175 0.000 1.030 22 S CA 1.782 59.894 58.200 -0.147 0.000 1.003 22 S CB -0.647 62.522 63.200 -0.052 0.000 0.813 22 S HN 1.202 nan 8.310 nan 0.000 0.477 23 G N 1.299 109.994 108.800 -0.175 0.000 2.509 23 G HA2 -0.045 3.915 3.960 0.001 0.000 0.218 23 G HA3 -0.045 3.915 3.960 0.001 0.000 0.218 23 G C 1.427 176.177 174.900 -0.250 0.000 1.124 23 G CA 0.441 45.439 45.100 -0.170 0.000 0.776 23 G HN 0.620 nan 8.290 nan 0.000 0.547 24 K N -0.248 119.898 120.400 -0.424 0.000 2.367 24 K HA 0.325 4.646 4.320 0.001 0.000 0.194 24 K C 1.824 178.122 176.600 -0.504 0.000 1.027 24 K CA -0.305 55.602 56.287 -0.633 0.000 1.075 24 K CB 0.173 31.873 32.500 -1.334 0.000 0.845 24 K HN 0.226 nan 8.250 nan 0.000 0.529 25 L N 0.271 121.280 121.223 -0.357 0.000 2.549 25 L HA -0.071 4.269 4.340 0.001 0.000 0.230 25 L C 1.907 178.719 176.870 -0.096 0.000 1.162 25 L CA 0.832 55.520 54.840 -0.252 0.000 0.834 25 L CB -0.297 41.560 42.059 -0.336 0.000 0.947 25 L HN 0.299 nan 8.230 nan 0.000 0.452 26 G N -1.814 106.928 108.800 -0.097 0.000 2.939 26 G HA2 -0.114 3.847 3.960 0.001 0.000 0.210 26 G HA3 -0.114 3.847 3.960 0.001 0.000 0.210 26 G C 0.334 175.223 174.900 -0.018 0.000 1.160 26 G CA -0.194 44.884 45.100 -0.036 0.000 0.770 26 G HN 0.165 nan 8.290 nan 0.000 0.543 27 D N 1.235 121.615 120.400 -0.034 0.000 2.365 27 D HA 0.162 4.803 4.640 0.001 0.000 0.237 27 D C 1.844 178.187 176.300 0.072 0.000 1.190 27 D CA 0.058 54.061 54.000 0.005 0.000 0.867 27 D CB 1.294 42.078 40.800 -0.028 0.000 1.050 27 D HN 0.136 nan 8.370 nan 0.000 0.491 28 S N 3.036 118.769 115.700 0.056 0.000 2.400 28 S HA -0.189 4.281 4.470 0.001 0.000 0.232 28 S C 1.983 176.618 174.600 0.059 0.000 1.025 28 S CA 0.829 59.067 58.200 0.064 0.000 0.993 28 S CB -0.147 63.078 63.200 0.043 0.000 0.808 28 S HN 0.471 nan 8.310 nan 0.000 0.478 29 A N 0.614 123.466 122.820 0.053 0.000 1.930 29 A HA 0.015 4.336 4.320 0.001 0.000 0.217 29 A C 1.996 179.607 177.584 0.044 0.000 1.175 29 A CA 1.345 53.402 52.037 0.033 0.000 0.627 29 A CB -1.008 18.012 19.000 0.033 0.000 0.815 29 A HN 0.637 nan 8.150 nan 0.000 0.443 30 Y N 1.604 121.872 120.300 -0.054 0.000 2.130 30 Y HA -0.197 4.353 4.550 0.001 0.000 0.287 30 Y C 2.942 178.810 175.900 -0.054 0.000 1.124 30 Y CA 2.640 60.695 58.100 -0.074 0.000 1.118 30 Y CB -0.635 37.767 38.460 -0.097 0.000 0.994 30 Y HN 0.415 nan 8.280 nan 0.000 0.497 31 T N -3.356 111.279 114.554 0.136 0.000 2.881 31 T HA -0.156 4.195 4.350 0.001 0.000 0.270 31 T C 1.787 176.545 174.700 0.097 0.000 1.068 31 T CA 1.698 63.886 62.100 0.145 0.000 1.131 31 T CB -1.046 67.989 68.868 0.278 0.000 0.871 31 T HN 0.340 nan 8.240 nan 0.000 0.479 32 T N 2.149 116.718 114.554 0.025 0.000 2.708 32 T HA 0.062 4.412 4.350 0.001 0.000 0.266 32 T C 1.874 176.515 174.700 -0.098 0.000 1.037 32 T CA 1.441 63.529 62.100 -0.020 0.000 1.146 32 T CB -0.416 68.432 68.868 -0.033 0.000 0.865 32 T HN 0.431 nan 8.240 nan 0.000 0.435 33 I N 1.113 121.563 120.570 -0.198 0.000 2.193 33 I HA -0.117 4.053 4.170 0.001 0.000 0.240 33 I C 2.979 178.927 176.117 -0.281 0.000 1.084 33 I CA 1.053 62.129 61.300 -0.375 0.000 1.365 33 I CB -0.601 37.011 38.000 -0.646 0.000 1.064 33 I HN 0.171 nan 8.210 nan 0.000 0.410 34 A N 1.149 123.865 122.820 -0.173 0.000 1.892 34 A HA -0.276 4.044 4.320 0.001 0.000 0.218 34 A C 2.501 180.275 177.584 0.316 0.000 1.188 34 A CA 2.719 54.838 52.037 0.136 0.000 0.631 34 A CB -1.062 17.877 19.000 -0.101 0.000 0.822 34 A HN 0.555 nan 8.150 nan 0.000 0.447 35 S N -0.680 115.186 115.700 0.276 0.000 2.423 35 S HA -0.157 4.313 4.470 0.001 0.000 0.231 35 S C 2.001 176.587 174.600 -0.024 0.000 1.014 35 S CA 1.224 59.481 58.200 0.096 0.000 0.965 35 S CB -0.354 62.869 63.200 0.038 0.000 0.785 35 S HN 0.656 nan 8.310 nan 0.000 0.495 36 R N 0.974 121.437 120.500 -0.061 0.000 2.080 36 R HA 0.072 4.412 4.340 0.001 0.000 0.222 36 R C 1.792 177.997 176.300 -0.158 0.000 1.107 36 R CA 1.160 57.197 56.100 -0.105 0.000 0.980 36 R CB -0.048 30.183 30.300 -0.115 0.000 0.879 36 R HN 0.347 nan 8.270 nan 0.000 0.439 37 E N -0.263 119.741 120.200 -0.326 0.000 2.250 37 E HA 0.015 4.366 4.350 0.001 0.000 0.192 37 E C -0.221 176.025 176.600 -0.590 0.000 0.986 37 E CA 0.526 56.599 56.400 -0.545 0.000 0.849 37 E CB 0.244 29.411 29.700 -0.888 0.000 0.797 37 E HN 0.138 nan 8.360 nan 0.000 0.482 38 F N 1.409 121.434 119.950 0.125 0.000 2.522 38 F HA 0.259 4.787 4.527 0.001 0.000 0.324 38 F C 0.970 176.833 175.800 0.105 0.000 1.077 38 F CA -1.218 56.885 58.000 0.170 0.000 0.944 38 F CB 0.841 39.953 39.000 0.187 0.000 1.175 38 F HN -0.187 nan 8.300 nan 0.000 0.468 39 N N 0.629 119.519 118.700 0.316 0.000 2.238 39 N HA 0.337 5.077 4.740 0.001 0.000 0.235 39 N C -0.738 174.826 175.510 0.090 0.000 1.209 39 N CA -0.093 53.052 53.050 0.158 0.000 0.879 39 N CB 0.758 39.324 38.487 0.132 0.000 1.136 39 N HN 0.578 nan 8.380 nan 0.000 0.517 40 M N 0.431 120.092 119.600 0.102 0.000 2.378 40 M HA 0.584 5.064 4.480 0.001 0.000 0.289 40 M C -2.182 174.088 176.300 -0.050 0.000 1.136 40 M CA -0.833 54.408 55.300 -0.098 0.000 0.917 40 M CB 2.381 34.759 32.600 -0.371 0.000 1.669 40 M HN -0.156 nan 8.290 nan 0.000 0.461 41 V N 2.724 122.581 119.914 -0.094 0.000 2.789 41 V HA 0.823 4.944 4.120 0.001 0.000 0.311 41 V C -0.775 175.252 176.094 -0.112 0.000 1.073 41 V CA -0.535 61.728 62.300 -0.061 0.000 0.921 41 V CB 2.619 34.475 31.823 0.055 0.000 1.009 41 V HN 0.892 nan 8.190 nan 0.000 0.426 42 T N 3.055 117.534 114.554 -0.126 0.000 2.848 42 T HA 0.636 4.987 4.350 0.001 0.000 0.285 42 T C -0.096 174.528 174.700 -0.127 0.000 0.995 42 T CA -0.281 61.751 62.100 -0.114 0.000 0.970 42 T CB 1.654 70.484 68.868 -0.064 0.000 0.976 42 T HN 0.970 nan 8.240 nan 0.000 0.441 43 A N 2.069 124.855 122.820 -0.056 0.000 2.451 43 A HA 0.267 4.587 4.320 0.001 0.000 0.266 43 A C 1.368 178.935 177.584 -0.028 0.000 1.119 43 A CA -0.276 51.743 52.037 -0.030 0.000 0.786 43 A CB -0.050 18.978 19.000 0.047 0.000 1.061 43 A HN 1.062 nan 8.150 nan 0.000 0.503 44 E N 2.161 122.266 120.200 -0.159 0.000 2.160 44 E HA -0.185 4.165 4.350 0.001 0.000 0.195 44 E C 0.687 177.353 176.600 0.109 0.000 0.991 44 E CA 1.794 58.072 56.400 -0.203 0.000 0.810 44 E CB 0.089 29.577 29.700 -0.353 0.000 0.742 44 E HN 0.808 nan 8.360 nan 0.000 0.466 45 N N -1.385 117.380 118.700 0.108 0.000 1.983 45 N HA -0.027 4.714 4.740 0.001 0.000 0.234 45 N C 0.718 176.326 175.510 0.164 0.000 1.339 45 N CA 0.194 53.346 53.050 0.169 0.000 0.826 45 N CB 0.268 38.826 38.487 0.120 0.000 1.156 45 N HN -0.027 nan 8.380 nan 0.000 0.468 46 E N 0.868 121.148 120.200 0.134 0.000 2.331 46 E HA 0.046 4.397 4.350 0.001 0.000 0.199 46 E C 1.100 177.840 176.600 0.233 0.000 1.008 46 E CA 1.009 57.505 56.400 0.159 0.000 0.843 46 E CB -0.043 29.739 29.700 0.136 0.000 0.761 46 E HN 0.369 nan 8.360 nan 0.000 0.507 47 M N -0.155 119.596 119.600 0.252 0.000 2.484 47 M HA 0.160 4.640 4.480 0.001 0.000 0.307 47 M C -0.129 176.392 176.300 0.367 0.000 1.149 47 M CA -0.094 55.410 55.300 0.341 0.000 0.972 47 M CB 0.618 33.384 32.600 0.276 0.000 1.400 47 M HN -0.168 nan 8.290 nan 0.000 0.508 48 K N 0.518 121.094 120.400 0.294 0.000 2.120 48 K HA 0.318 4.638 4.320 0.001 0.000 0.245 48 K C 1.088 177.848 176.600 0.266 0.000 1.024 48 K CA -0.353 56.095 56.287 0.270 0.000 0.906 48 K CB 1.396 34.044 32.500 0.247 0.000 1.051 48 K HN 0.059 nan 8.250 nan 0.000 0.491 49 I N 1.379 122.050 120.570 0.169 0.000 2.091 49 I HA -0.381 3.790 4.170 0.001 0.000 0.239 49 I C 2.049 178.169 176.117 0.006 0.000 1.061 49 I CA 1.705 62.986 61.300 -0.030 0.000 1.317 49 I CB -0.547 37.252 38.000 -0.334 0.000 1.031 49 I HN 0.770 nan 8.210 nan 0.000 0.401 50 D N 1.683 122.052 120.400 -0.051 0.000 2.182 50 D HA -0.183 4.457 4.640 0.001 0.000 0.201 50 D C 1.947 178.274 176.300 0.045 0.000 0.986 50 D CA 1.619 55.592 54.000 -0.046 0.000 0.847 50 D CB -0.335 40.414 40.800 -0.085 0.000 0.942 50 D HN 0.410 nan 8.370 nan 0.000 0.467 51 A N 0.458 123.334 122.820 0.093 0.000 1.975 51 A HA -0.016 4.304 4.320 0.001 0.000 0.215 51 A C 2.335 179.993 177.584 0.124 0.000 1.170 51 A CA 1.887 53.990 52.037 0.110 0.000 0.656 51 A CB -0.659 18.424 19.000 0.138 0.000 0.821 51 A HN 0.449 nan 8.150 nan 0.000 0.449 52 T N -3.440 111.233 114.554 0.200 0.000 3.044 52 T HA 0.160 4.511 4.350 0.001 0.000 0.255 52 T C 0.684 175.434 174.700 0.084 0.000 1.073 52 T CA 0.824 63.024 62.100 0.166 0.000 1.125 52 T CB 0.075 69.182 68.868 0.398 0.000 0.908 52 T HN 0.386 nan 8.240 nan 0.000 0.480 53 E N 1.644 121.946 120.200 0.169 0.000 3.374 53 E HA 0.285 4.635 4.350 0.001 0.000 0.223 53 E C -2.330 174.385 176.600 0.191 0.000 1.210 53 E CA -2.230 54.177 56.400 0.012 0.000 0.987 53 E CB 1.513 31.284 29.700 0.119 0.000 1.322 53 E HN 0.141 nan 8.360 nan 0.000 0.404 54 P HA -0.142 nan 4.420 nan 0.000 0.218 54 P C -0.145 177.317 177.300 0.269 0.000 1.148 54 P CA 1.030 64.221 63.100 0.151 0.000 0.822 54 P CB 0.273 31.992 31.700 0.031 0.000 0.784 55 Q N -1.402 118.391 119.800 -0.012 0.000 2.331 55 Q HA 0.336 4.676 4.340 0.001 0.000 0.272 55 Q C -0.638 174.868 176.000 -0.823 0.000 1.062 55 Q CA -0.937 54.598 55.803 -0.446 0.000 0.806 55 Q CB 1.362 29.912 28.738 -0.313 0.000 1.312 55 Q HN -0.206 nan 8.270 nan 0.000 0.431 56 R N 1.538 121.013 120.500 -1.708 0.000 2.480 56 R HA 0.267 4.607 4.340 0.001 0.000 0.303 56 R C 0.574 176.448 176.300 -0.710 0.000 0.985 56 R CA 1.817 57.040 56.100 -1.461 0.000 1.051 56 R CB -0.340 28.982 30.300 -1.629 0.000 0.935 56 R HN 0.943 nan 8.270 nan 0.000 0.410 57 G N 3.020 111.479 108.800 -0.569 0.000 2.199 57 G HA2 -0.295 3.665 3.960 0.001 0.000 0.254 57 G HA3 -0.295 3.665 3.960 0.001 0.000 0.254 57 G C -0.152 174.554 174.900 -0.323 0.000 0.982 57 G CA 0.215 45.118 45.100 -0.328 0.000 0.632 57 G HN 0.620 nan 8.290 nan 0.000 0.529 58 Q N 0.213 119.725 119.800 -0.479 0.000 2.462 58 Q HA 0.578 4.919 4.340 0.001 0.000 0.247 58 Q C -0.800 174.953 176.000 -0.412 0.000 1.044 58 Q CA -0.529 55.087 55.803 -0.312 0.000 0.803 58 Q CB 0.646 29.242 28.738 -0.236 0.000 1.190 58 Q HN 0.313 nan 8.270 nan 0.000 0.507 59 F N 1.583 121.409 119.950 -0.206 0.000 2.384 59 F HA 0.241 4.768 4.527 0.001 0.000 0.338 59 F C 0.881 176.341 175.800 -0.566 0.000 1.103 59 F CA -0.465 57.266 58.000 -0.449 0.000 1.157 59 F CB 0.792 39.422 39.000 -0.617 0.000 1.167 59 F HN 0.359 nan 8.300 nan 0.000 0.529 60 N N 3.269 121.685 118.700 -0.474 0.000 2.531 60 N HA 0.213 4.954 4.740 0.001 0.000 0.268 60 N C -0.797 174.488 175.510 -0.375 0.000 1.023 60 N CA -0.273 52.584 53.050 -0.321 0.000 0.896 60 N CB 0.491 38.902 38.487 -0.127 0.000 1.233 60 N HN 0.386 nan 8.380 nan 0.000 0.512 61 F N 0.937 120.870 119.950 -0.029 0.000 2.653 61 F HA 0.272 4.800 4.527 0.001 0.000 0.304 61 F C 2.063 177.910 175.800 0.078 0.000 1.092 61 F CA -0.262 57.715 58.000 -0.037 0.000 1.279 61 F CB 0.243 38.942 39.000 -0.501 0.000 1.044 61 F HN 0.341 nan 8.300 nan 0.000 0.564 62 S N 0.895 116.708 115.700 0.188 0.000 2.351 62 S HA -0.258 4.212 4.470 0.001 0.000 0.220 62 S C 2.498 177.213 174.600 0.192 0.000 1.035 62 S CA 1.625 59.928 58.200 0.172 0.000 1.031 62 S CB -0.605 62.658 63.200 0.106 0.000 0.928 62 S HN 0.417 nan 8.310 nan 0.000 0.433 63 A N 1.463 124.383 122.820 0.167 0.000 1.877 63 A HA 0.066 4.386 4.320 0.001 0.000 0.216 63 A C 2.360 180.073 177.584 0.216 0.000 1.186 63 A CA 1.835 53.965 52.037 0.155 0.000 0.620 63 A CB -1.531 17.540 19.000 0.120 0.000 0.822 63 A HN 0.529 nan 8.150 nan 0.000 0.443 64 G N -0.068 108.914 108.800 0.304 0.000 2.446 64 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 64 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 64 G C 1.113 176.282 174.900 0.448 0.000 1.168 64 G CA 1.280 46.614 45.100 0.391 0.000 0.771 64 G HN 0.464 nan 8.290 nan 0.000 0.551 65 D N -0.114 120.592 120.400 0.511 0.000 2.178 65 D HA -0.056 4.585 4.640 0.001 0.000 0.201 65 D C 2.487 179.023 176.300 0.393 0.000 0.980 65 D CA 0.282 54.595 54.000 0.522 0.000 0.842 65 D CB -0.181 40.882 40.800 0.438 0.000 0.948 65 D HN 0.049 nan 8.370 nan 0.000 0.472 66 R N 1.004 121.676 120.500 0.288 0.000 2.083 66 R HA -0.104 4.236 4.340 0.001 0.000 0.237 66 R C 2.100 178.537 176.300 0.228 0.000 1.137 66 R CA 0.803 57.034 56.100 0.218 0.000 0.951 66 R CB -0.754 29.637 30.300 0.153 0.000 0.851 66 R HN 0.125 nan 8.270 nan 0.000 0.434 67 V N 0.365 120.407 119.914 0.213 0.000 2.358 67 V HA -0.237 3.883 4.120 0.001 0.000 0.246 67 V C 2.153 178.390 176.094 0.237 0.000 1.047 67 V CA 1.795 64.208 62.300 0.188 0.000 1.035 67 V CB -0.878 31.013 31.823 0.114 0.000 0.658 67 V HN 0.313 nan 8.190 nan 0.000 0.452 68 Y N 2.157 122.548 120.300 0.151 0.000 2.097 68 Y HA -0.268 4.282 4.550 0.001 0.000 0.282 68 Y C 2.538 178.517 175.900 0.133 0.000 1.152 68 Y CA 2.137 60.303 58.100 0.111 0.000 1.136 68 Y CB -0.492 38.059 38.460 0.151 0.000 0.975 68 Y HN 0.275 nan 8.280 nan 0.000 0.498 69 N N -0.477 118.240 118.700 0.028 0.000 2.120 69 N HA -0.241 4.500 4.740 0.001 0.000 0.188 69 N C 1.652 177.135 175.510 -0.046 0.000 1.024 69 N CA 1.615 54.628 53.050 -0.062 0.000 0.852 69 N CB -1.206 37.358 38.487 0.129 0.000 1.003 69 N HN 0.643 nan 8.380 nan 0.000 0.424 70 W N 2.201 123.461 121.300 -0.067 0.000 2.335 70 W HA -0.153 4.507 4.660 0.001 0.000 0.311 70 W C 2.402 178.864 176.519 -0.094 0.000 1.213 70 W CA 2.427 59.743 57.345 -0.049 0.000 1.274 70 W CB -0.411 29.046 29.460 -0.005 0.000 1.148 70 W HN 0.095 nan 8.180 nan 0.000 0.498 71 A N -0.074 122.792 122.820 0.077 0.000 1.841 71 A HA -0.239 4.082 4.320 0.001 0.000 0.216 71 A C 2.045 179.441 177.584 -0.313 0.000 1.199 71 A CA 2.865 54.839 52.037 -0.104 0.000 0.621 71 A CB -1.425 17.558 19.000 -0.029 0.000 0.835 71 A HN 0.181 nan 8.150 nan 0.000 0.445 72 V N 0.219 119.902 119.914 -0.385 0.000 2.324 72 V HA -0.302 3.818 4.120 0.001 0.000 0.250 72 V C 2.729 178.657 176.094 -0.277 0.000 1.060 72 V CA 2.175 64.266 62.300 -0.348 0.000 1.042 72 V CB -0.881 30.667 31.823 -0.459 0.000 0.650 72 V HN 0.553 nan 8.190 nan 0.000 0.450 73 Q N -0.063 119.562 119.800 -0.290 0.000 2.226 73 Q HA -0.113 4.227 4.340 0.001 0.000 0.204 73 Q C 1.650 177.460 176.000 -0.317 0.000 0.975 73 Q CA 1.075 56.724 55.803 -0.255 0.000 0.866 73 Q CB -0.441 28.160 28.738 -0.228 0.000 0.915 73 Q HN 0.658 nan 8.270 nan 0.000 0.440 74 N N -0.568 117.852 118.700 -0.468 0.000 2.251 74 N HA 0.102 4.843 4.740 0.001 0.000 0.217 74 N C 0.197 175.519 175.510 -0.313 0.000 1.124 74 N CA 0.654 53.415 53.050 -0.482 0.000 0.843 74 N CB 1.045 39.003 38.487 -0.881 0.000 1.024 74 N HN 0.291 nan 8.380 nan 0.000 0.501 75 G N 1.318 109.977 108.800 -0.235 0.000 2.182 75 G HA2 -0.280 3.680 3.960 0.001 0.000 0.248 75 G HA3 -0.280 3.680 3.960 0.001 0.000 0.248 75 G C -0.285 174.544 174.900 -0.118 0.000 1.042 75 G CA 0.192 45.203 45.100 -0.149 0.000 0.775 75 G HN 0.273 nan 8.290 nan 0.000 0.501 76 K N -0.147 120.166 120.400 -0.146 0.000 2.316 76 K HA 0.617 4.937 4.320 0.001 0.000 0.251 76 K C 0.511 177.043 176.600 -0.112 0.000 0.934 76 K CA -0.696 55.536 56.287 -0.092 0.000 0.802 76 K CB 1.821 34.290 32.500 -0.052 0.000 1.171 76 K HN 0.323 nan 8.250 nan 0.000 0.426 77 Q N 0.422 120.159 119.800 -0.105 0.000 2.308 77 Q HA 0.526 4.866 4.340 0.001 0.000 0.207 77 Q C -0.674 175.240 176.000 -0.143 0.000 1.035 77 Q CA -0.826 54.905 55.803 -0.120 0.000 1.008 77 Q CB 1.185 29.840 28.738 -0.138 0.000 1.168 77 Q HN 0.242 nan 8.270 nan 0.000 0.565 78 V N 0.791 120.619 119.914 -0.143 0.000 2.760 78 V HA 0.390 4.511 4.120 0.001 0.000 0.309 78 V C -0.887 175.043 176.094 -0.273 0.000 1.077 78 V CA -0.785 61.413 62.300 -0.169 0.000 0.910 78 V CB 2.004 33.785 31.823 -0.070 0.000 1.008 78 V HN 0.633 nan 8.190 nan 0.000 0.424 79 R N 2.466 122.794 120.500 -0.287 0.000 2.255 79 R HA 0.552 4.893 4.340 0.001 0.000 0.326 79 R C 0.361 176.402 176.300 -0.431 0.000 0.986 79 R CA -0.451 55.457 56.100 -0.319 0.000 0.847 79 R CB 1.744 31.927 30.300 -0.195 0.000 1.111 79 R HN 0.903 nan 8.270 nan 0.000 0.452 80 G N 1.892 110.183 108.800 -0.850 0.000 2.364 80 G HA2 0.124 4.084 3.960 0.001 0.000 0.267 80 G HA3 0.124 4.084 3.960 0.001 0.000 0.267 80 G C -0.877 173.852 174.900 -0.285 0.000 1.233 80 G CA 0.022 44.354 45.100 -1.280 0.000 0.885 80 G HN 0.636 nan 8.290 nan 0.000 0.490 81 H N 0.451 119.477 119.070 -0.074 0.000 2.924 81 H HA 0.618 5.174 4.556 0.001 0.000 0.333 81 H C -0.688 174.773 175.328 0.222 0.000 0.979 81 H CA -0.310 55.800 56.048 0.102 0.000 1.326 81 H CB 2.085 31.869 29.762 0.038 0.000 1.600 81 H HN 0.617 nan 8.280 nan 0.000 0.520 82 T N 4.612 119.157 114.554 -0.014 0.000 2.894 82 T HA 0.257 4.607 4.350 0.001 0.000 0.309 82 T C 0.599 175.399 174.700 0.166 0.000 1.208 82 T CA -0.685 61.381 62.100 -0.057 0.000 1.016 82 T CB 1.099 69.569 68.868 -0.662 0.000 1.192 82 T HN 0.568 nan 8.240 nan 0.000 0.491 83 L N 2.019 123.341 121.223 0.166 0.000 2.127 83 L HA 0.465 4.806 4.340 0.001 0.000 0.203 83 L C 1.297 178.289 176.870 0.204 0.000 1.080 83 L CA 0.540 55.485 54.840 0.175 0.000 0.768 83 L CB -0.196 41.841 42.059 -0.038 0.000 0.924 83 L HN 0.702 nan 8.230 nan 0.000 0.444 84 A N -1.178 121.743 122.820 0.169 0.000 2.357 84 A HA 0.531 4.852 4.320 0.001 0.000 0.295 84 A C -1.911 175.913 177.584 0.400 0.000 1.121 84 A CA -0.206 51.992 52.037 0.268 0.000 0.742 84 A CB 0.843 20.051 19.000 0.347 0.000 1.181 84 A HN 0.196 nan 8.150 nan 0.000 0.454 85 W N 3.848 125.192 121.300 0.073 0.000 3.248 85 W HA 0.373 5.034 4.660 0.001 0.000 0.311 85 W C 0.548 177.036 176.519 -0.053 0.000 1.258 85 W CA -0.851 56.523 57.345 0.048 0.000 1.191 85 W CB 0.848 30.261 29.460 -0.079 0.000 1.389 85 W HN 0.798 nan 8.180 nan 0.000 0.561 86 H N 0.583 119.657 119.070 0.008 0.000 2.529 86 H HA 0.247 4.804 4.556 0.001 0.000 0.277 86 H C -0.087 174.927 175.328 -0.524 0.000 0.999 86 H CA 0.842 56.745 56.048 -0.242 0.000 1.256 86 H CB 0.075 29.769 29.762 -0.113 0.000 1.402 86 H HN 0.063 nan 8.280 nan 0.000 0.566 87 S N 0.600 115.226 115.700 -1.792 0.000 2.651 87 S HA 0.164 4.634 4.470 0.001 0.000 0.291 87 S C 0.135 173.988 174.600 -1.246 0.000 1.141 87 S CA -0.688 56.534 58.200 -1.631 0.000 1.027 87 S CB 1.871 63.797 63.200 -2.123 0.000 1.043 87 S HN 0.438 nan 8.310 nan 0.000 0.530 88 Q N 0.054 119.406 119.800 -0.747 0.000 2.453 88 Q HA -0.230 4.111 4.340 0.001 0.000 0.294 88 Q C -0.678 175.125 176.000 -0.329 0.000 1.295 88 Q CA 0.602 56.152 55.803 -0.422 0.000 0.853 88 Q CB -1.281 27.280 28.738 -0.294 0.000 1.193 88 Q HN 0.607 nan 8.270 nan 0.000 0.461 89 Q N 0.945 120.519 119.800 -0.377 0.000 2.230 89 Q HA 0.419 4.760 4.340 0.001 0.000 0.248 89 Q C -1.980 173.779 176.000 -0.402 0.000 0.915 89 Q CA -1.925 53.639 55.803 -0.398 0.000 0.900 89 Q CB 0.872 29.351 28.738 -0.432 0.000 1.229 89 Q HN 0.108 nan 8.270 nan 0.000 0.439 90 P HA -0.096 nan 4.420 nan 0.000 0.271 90 P C 0.384 177.400 177.300 -0.472 0.000 1.233 90 P CA 0.157 62.988 63.100 -0.448 0.000 0.789 90 P CB 0.559 31.950 31.700 -0.515 0.000 0.951 91 G N 1.347 110.010 108.800 -0.228 0.000 2.469 91 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 91 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 91 G C 1.398 176.235 174.900 -0.105 0.000 1.136 91 G CA 0.470 45.489 45.100 -0.135 0.000 0.759 91 G HN 0.766 nan 8.290 nan 0.000 0.562 92 W N -0.273 120.981 121.300 -0.077 0.000 2.425 92 W HA 0.117 4.777 4.660 0.001 0.000 0.277 92 W C 2.006 178.478 176.519 -0.078 0.000 1.231 92 W CA 0.891 58.192 57.345 -0.074 0.000 1.248 92 W CB -0.702 28.711 29.460 -0.077 0.000 1.117 92 W HN 0.277 nan 8.180 nan 0.000 0.568 93 M N 1.362 120.503 119.600 -0.765 0.000 2.334 93 M HA -0.085 4.395 4.480 0.001 0.000 0.266 93 M C 2.271 178.361 176.300 -0.350 0.000 1.082 93 M CA 1.350 56.233 55.300 -0.695 0.000 1.141 93 M CB -0.219 31.663 32.600 -1.196 0.000 1.380 93 M HN -0.044 nan 8.290 nan 0.000 0.440 94 Q N -0.140 119.465 119.800 -0.326 0.000 2.291 94 Q HA -0.132 4.208 4.340 0.001 0.000 0.206 94 Q C 1.777 177.697 176.000 -0.134 0.000 0.976 94 Q CA 1.779 57.452 55.803 -0.217 0.000 0.875 94 Q CB -0.078 28.542 28.738 -0.196 0.000 0.927 94 Q HN 0.658 nan 8.270 nan 0.000 0.450 95 S N -0.902 114.743 115.700 -0.091 0.000 2.517 95 S HA 0.161 4.631 4.470 0.001 0.000 0.214 95 S C 0.778 175.362 174.600 -0.027 0.000 0.991 95 S CA -0.376 57.798 58.200 -0.044 0.000 0.906 95 S CB 0.101 63.294 63.200 -0.011 0.000 0.789 95 S HN 0.103 nan 8.310 nan 0.000 0.513 96 L N 1.893 123.102 121.223 -0.023 0.000 2.472 96 L HA 0.478 4.819 4.340 0.001 0.000 0.260 96 L C 0.312 177.161 176.870 -0.035 0.000 1.209 96 L CA -0.255 54.585 54.840 -0.000 0.000 0.817 96 L CB 0.903 42.986 42.059 0.041 0.000 1.106 96 L HN 0.199 nan 8.230 nan 0.000 0.479 97 S N -1.079 114.607 115.700 -0.022 0.000 2.656 97 S HA 0.681 5.152 4.470 0.001 0.000 0.273 97 S C 0.135 174.722 174.600 -0.023 0.000 1.168 97 S CA -0.041 58.136 58.200 -0.038 0.000 0.817 97 S CB 1.527 64.706 63.200 -0.035 0.000 1.146 97 S HN 1.122 nan 8.310 nan 0.000 0.475 98 G N 2.312 111.094 108.800 -0.029 0.000 2.632 98 G HA2 -0.365 3.596 3.960 0.001 0.000 0.322 98 G HA3 -0.365 3.596 3.960 0.001 0.000 0.322 98 G C 1.277 176.179 174.900 0.003 0.000 1.326 98 G CA 1.575 46.668 45.100 -0.012 0.000 0.986 98 G HN 1.627 nan 8.290 nan 0.000 0.541 99 S N -1.505 114.204 115.700 0.015 0.000 2.370 99 S HA -0.170 4.300 4.470 0.001 0.000 0.226 99 S C 2.358 176.978 174.600 0.034 0.000 1.033 99 S CA 2.925 61.141 58.200 0.027 0.000 1.011 99 S CB -1.052 62.163 63.200 0.026 0.000 0.852 99 S HN 1.617 nan 8.310 nan 0.000 0.457 100 T N 1.445 116.017 114.554 0.030 0.000 2.720 100 T HA -0.071 4.279 4.350 0.001 0.000 0.268 100 T C 1.692 176.428 174.700 0.061 0.000 1.037 100 T CA 1.519 63.645 62.100 0.043 0.000 1.144 100 T CB -0.676 68.215 68.868 0.039 0.000 0.864 100 T HN 0.360 nan 8.240 nan 0.000 0.444 101 L N 1.176 122.423 121.223 0.040 0.000 2.093 101 L HA 0.192 4.533 4.340 0.001 0.000 0.208 101 L C 2.460 179.355 176.870 0.042 0.000 1.085 101 L CA 1.863 56.722 54.840 0.031 0.000 0.755 101 L CB -0.847 41.194 42.059 -0.031 0.000 0.904 101 L HN 0.130 nan 8.230 nan 0.000 0.435 102 R N -0.228 120.297 120.500 0.042 0.000 2.091 102 R HA -0.216 4.124 4.340 0.001 0.000 0.238 102 R C 2.340 178.695 176.300 0.092 0.000 1.136 102 R CA 1.978 58.120 56.100 0.070 0.000 0.959 102 R CB -0.724 29.618 30.300 0.069 0.000 0.856 102 R HN 0.537 nan 8.270 nan 0.000 0.437 103 Q N -0.385 119.465 119.800 0.084 0.000 2.172 103 Q HA 0.113 4.453 4.340 0.001 0.000 0.200 103 Q C 1.804 177.879 176.000 0.125 0.000 0.964 103 Q CA 1.839 57.697 55.803 0.091 0.000 0.855 103 Q CB -0.325 28.456 28.738 0.071 0.000 0.918 103 Q HN 0.408 nan 8.270 nan 0.000 0.444 104 A N 0.322 123.230 122.820 0.146 0.000 1.930 104 A HA -0.153 4.168 4.320 0.001 0.000 0.217 104 A C 2.106 179.834 177.584 0.240 0.000 1.175 104 A CA 1.546 53.719 52.037 0.227 0.000 0.627 104 A CB -0.651 18.527 19.000 0.298 0.000 0.815 104 A HN 0.596 nan 8.150 nan 0.000 0.443 105 M N -0.352 119.349 119.600 0.169 0.000 2.077 105 M HA -0.096 4.384 4.480 0.001 0.000 0.261 105 M C 1.965 178.386 176.300 0.201 0.000 1.070 105 M CA 1.898 57.303 55.300 0.175 0.000 1.125 105 M CB -0.334 32.356 32.600 0.149 0.000 1.339 105 M HN 0.400 nan 8.290 nan 0.000 0.409 106 I N 0.771 121.435 120.570 0.157 0.000 2.163 106 I HA -0.349 3.822 4.170 0.001 0.000 0.243 106 I C 1.905 178.102 176.117 0.134 0.000 1.085 106 I CA 1.469 62.841 61.300 0.121 0.000 1.347 106 I CB -0.841 37.216 38.000 0.094 0.000 1.044 106 I HN 0.342 nan 8.210 nan 0.000 0.408 107 D N -0.258 120.247 120.400 0.175 0.000 2.097 107 D HA -0.246 4.395 4.640 0.001 0.000 0.195 107 D C 1.994 178.478 176.300 0.307 0.000 0.989 107 D CA 1.617 55.743 54.000 0.210 0.000 0.827 107 D CB -0.550 40.384 40.800 0.223 0.000 0.966 107 D HN 0.427 nan 8.370 nan 0.000 0.456 108 H N 0.784 120.032 119.070 0.296 0.000 2.289 108 H HA -0.090 4.467 4.556 0.001 0.000 0.296 108 H C 2.207 177.659 175.328 0.206 0.000 1.091 108 H CA 1.578 57.858 56.048 0.386 0.000 1.274 108 H CB -0.416 29.516 29.762 0.283 0.000 1.364 108 H HN 0.082 nan 8.280 nan 0.000 0.490 109 I N 0.179 120.806 120.570 0.096 0.000 2.163 109 I HA -0.330 3.840 4.170 0.001 0.000 0.243 109 I C 2.091 178.098 176.117 -0.184 0.000 1.085 109 I CA 1.389 62.630 61.300 -0.100 0.000 1.347 109 I CB -0.382 37.581 38.000 -0.063 0.000 1.044 109 I HN 0.401 nan 8.210 nan 0.000 0.408 110 N N 1.128 119.771 118.700 -0.095 0.000 2.166 110 N HA -0.120 4.620 4.740 0.001 0.000 0.186 110 N C 1.869 177.248 175.510 -0.218 0.000 1.019 110 N CA 1.616 54.593 53.050 -0.121 0.000 0.856 110 N CB -0.658 37.800 38.487 -0.048 0.000 0.993 110 N HN 0.448 nan 8.380 nan 0.000 0.426 111 G N 1.125 109.740 108.800 -0.309 0.000 2.453 111 G HA2 -0.174 3.786 3.960 0.001 0.000 0.215 111 G HA3 -0.174 3.786 3.960 0.001 0.000 0.215 111 G C 1.750 176.302 174.900 -0.580 0.000 1.201 111 G CA 1.020 45.651 45.100 -0.782 0.000 0.784 111 G HN 0.181 nan 8.290 nan 0.000 0.545 112 V N 1.088 120.763 119.914 -0.399 0.000 2.261 112 V HA -0.201 3.920 4.120 0.001 0.000 0.246 112 V C 2.911 178.931 176.094 -0.124 0.000 1.047 112 V CA 2.157 64.414 62.300 -0.071 0.000 1.015 112 V CB -0.522 31.280 31.823 -0.034 0.000 0.642 112 V HN 0.336 nan 8.190 nan 0.000 0.446 113 M N 0.305 119.721 119.600 -0.306 0.000 2.279 113 M HA -0.069 4.411 4.480 0.001 0.000 0.264 113 M C 2.202 178.422 176.300 -0.132 0.000 1.062 113 M CA 1.784 56.931 55.300 -0.254 0.000 1.099 113 M CB -0.736 31.611 32.600 -0.422 0.000 1.394 113 M HN 0.527 nan 8.290 nan 0.000 0.426 114 G N -0.951 107.733 108.800 -0.192 0.000 2.404 114 G HA2 -0.275 3.685 3.960 0.001 0.000 0.215 114 G HA3 -0.275 3.685 3.960 0.001 0.000 0.215 114 G C 1.165 175.929 174.900 -0.228 0.000 1.174 114 G CA 1.165 46.160 45.100 -0.175 0.000 0.780 114 G HN 0.470 nan 8.290 nan 0.000 0.537 115 H N -0.476 118.301 119.070 -0.488 0.000 2.353 115 H HA -0.061 4.496 4.556 0.001 0.000 0.300 115 H C 1.589 176.480 175.328 -0.728 0.000 1.090 115 H CA 1.435 57.013 56.048 -0.783 0.000 1.327 115 H CB -0.139 28.619 29.762 -1.673 0.000 1.383 115 H HN 0.414 nan 8.280 nan 0.000 0.508 116 Y N 0.516 120.594 120.300 -0.370 0.000 2.457 116 Y HA 0.172 4.722 4.550 0.001 0.000 0.263 116 Y C 0.807 176.612 175.900 -0.158 0.000 1.164 116 Y CA -0.233 57.680 58.100 -0.312 0.000 1.274 116 Y CB -0.136 38.298 38.460 -0.043 0.000 1.097 116 Y HN 0.030 nan 8.280 nan 0.000 0.523 117 K N 0.835 121.220 120.400 -0.026 0.000 2.476 117 K HA -0.018 4.303 4.320 0.001 0.000 0.273 117 K C 1.337 177.939 176.600 0.004 0.000 1.056 117 K CA 1.328 57.617 56.287 0.004 0.000 1.150 117 K CB -0.309 32.160 32.500 -0.051 0.000 0.838 117 K HN 0.622 nan 8.250 nan 0.000 0.486 118 G N 3.753 112.584 108.800 0.051 0.000 2.212 118 G HA2 -0.336 3.625 3.960 0.001 0.000 0.266 118 G HA3 -0.336 3.625 3.960 0.001 0.000 0.266 118 G C 0.682 175.609 174.900 0.045 0.000 0.978 118 G CA 0.810 45.934 45.100 0.041 0.000 0.632 118 G HN 0.730 nan 8.290 nan 0.000 0.537 119 K N -0.562 119.861 120.400 0.040 0.000 2.352 119 K HA 0.347 4.668 4.320 0.001 0.000 0.194 119 K C 0.738 177.381 176.600 0.071 0.000 1.038 119 K CA 0.160 56.480 56.287 0.054 0.000 1.023 119 K CB 0.598 33.036 32.500 -0.103 0.000 0.840 119 K HN 0.336 nan 8.250 nan 0.000 0.519 120 I N 0.878 121.460 120.570 0.019 0.000 2.359 120 I HA 0.156 4.326 4.170 0.001 0.000 0.294 120 I C 1.138 177.209 176.117 -0.077 0.000 0.987 120 I CA -0.199 61.031 61.300 -0.117 0.000 1.225 120 I CB 1.215 38.986 38.000 -0.382 0.000 1.366 120 I HN 0.006 nan 8.210 nan 0.000 0.466 121 A N 6.049 128.799 122.820 -0.117 0.000 1.897 121 A HA -0.000 4.320 4.320 0.001 0.000 0.215 121 A C 0.785 178.339 177.584 -0.050 0.000 1.181 121 A CA 1.010 53.007 52.037 -0.067 0.000 0.620 121 A CB 0.088 19.027 19.000 -0.100 0.000 0.821 121 A HN 0.789 nan 8.150 nan 0.000 0.443 122 Q N -3.090 116.628 119.800 -0.137 0.000 2.379 122 Q HA 0.471 4.812 4.340 0.001 0.000 0.278 122 Q C -2.081 173.824 176.000 -0.158 0.000 1.068 122 Q CA -0.353 55.418 55.803 -0.053 0.000 0.816 122 Q CB 2.090 30.818 28.738 -0.017 0.000 1.387 122 Q HN 0.532 nan 8.270 nan 0.000 0.413 123 W N 1.318 122.644 121.300 0.043 0.000 2.600 123 W HA 0.316 4.977 4.660 0.000 0.000 0.325 123 W C -0.741 175.797 176.519 0.031 0.000 1.034 123 W CA -0.446 56.916 57.345 0.028 0.000 1.226 123 W CB 1.677 31.147 29.460 0.017 0.000 1.379 123 W HN 0.441 nan 8.180 nan 0.000 0.466 124 D N 3.556 124.154 120.400 0.329 0.000 2.483 124 D HA 0.068 4.709 4.640 0.001 0.000 0.220 124 D C 1.173 177.553 176.300 0.134 0.000 1.173 124 D CA 0.217 54.317 54.000 0.168 0.000 0.964 124 D CB 1.222 42.099 40.800 0.129 0.000 1.046 124 D HN 0.112 nan 8.370 nan 0.000 0.517 125 V N 1.746 121.684 119.914 0.039 0.000 2.261 125 V HA -0.136 3.984 4.120 0.001 0.000 0.246 125 V C 1.117 177.104 176.094 -0.179 0.000 1.047 125 V CA 1.090 63.277 62.300 -0.189 0.000 1.015 125 V CB 0.027 31.460 31.823 -0.650 0.000 0.642 125 V HN 0.260 nan 8.190 nan 0.000 0.446 126 V N 0.656 120.471 119.914 -0.165 0.000 2.540 126 V HA 0.492 4.613 4.120 0.001 0.000 0.302 126 V C -0.710 175.321 176.094 -0.105 0.000 1.035 126 V CA -0.692 61.605 62.300 -0.005 0.000 0.873 126 V CB 1.710 33.589 31.823 0.092 0.000 0.992 126 V HN 0.469 nan 8.190 nan 0.000 0.428 127 N N 2.150 120.804 118.700 -0.077 0.000 2.284 127 N HA 0.371 5.111 4.740 0.001 0.000 0.300 127 N C -0.266 175.251 175.510 0.011 0.000 1.047 127 N CA -0.523 52.327 53.050 -0.335 0.000 0.821 127 N CB 1.364 39.336 38.487 -0.858 0.000 1.337 127 N HN 0.749 nan 8.380 nan 0.000 0.482 128 E N 1.045 121.252 120.200 0.012 0.000 2.199 128 E HA -0.265 4.086 4.350 0.001 0.000 0.208 128 E C -0.213 176.720 176.600 0.556 0.000 1.310 128 E CA 0.566 57.182 56.400 0.361 0.000 0.709 128 E CB -1.466 28.628 29.700 0.657 0.000 1.127 128 E HN 0.566 nan 8.360 nan 0.000 0.354 129 A N -0.028 123.173 122.820 0.636 0.000 2.251 129 A HA 0.236 4.557 4.320 0.001 0.000 0.209 129 A C 0.213 177.963 177.584 0.277 0.000 1.187 129 A CA 0.307 52.698 52.037 0.590 0.000 0.823 129 A CB 0.218 19.556 19.000 0.564 0.000 0.846 129 A HN 0.237 nan 8.150 nan 0.000 0.486 130 F N -0.827 119.266 119.950 0.239 0.000 2.492 130 F HA 0.520 5.047 4.527 0.001 0.000 0.327 130 F C 0.868 176.705 175.800 0.062 0.000 1.079 130 F CA -0.766 57.306 58.000 0.121 0.000 0.967 130 F CB 1.681 40.731 39.000 0.084 0.000 1.169 130 F HN -0.056 nan 8.300 nan 0.000 0.472 131 S N 0.418 116.220 115.700 0.170 0.000 2.617 131 S HA 0.185 4.655 4.470 0.001 0.000 0.269 131 S C 0.231 174.902 174.600 0.119 0.000 1.292 131 S CA -0.595 57.669 58.200 0.107 0.000 1.010 131 S CB 0.482 63.715 63.200 0.054 0.000 0.944 131 S HN 0.610 nan 8.310 nan 0.000 0.536 132 D N 1.294 121.755 120.400 0.102 0.000 2.402 132 D HA 0.077 4.718 4.640 0.001 0.000 0.216 132 D C 0.500 176.828 176.300 0.048 0.000 1.128 132 D CA 0.110 54.172 54.000 0.103 0.000 0.833 132 D CB 0.150 41.051 40.800 0.169 0.000 0.971 132 D HN 0.742 nan 8.370 nan 0.000 0.503 133 D N -0.101 120.321 120.400 0.036 0.000 2.378 133 D HA -0.006 4.634 4.640 0.001 0.000 0.227 133 D C 1.650 177.937 176.300 -0.022 0.000 1.012 133 D CA 0.783 54.788 54.000 0.007 0.000 0.905 133 D CB -0.120 40.686 40.800 0.009 0.000 0.895 133 D HN 0.189 nan 8.370 nan 0.000 0.532 134 G N -0.249 108.533 108.800 -0.030 0.000 2.195 134 G HA2 -0.362 3.599 3.960 0.001 0.000 0.246 134 G HA3 -0.362 3.599 3.960 0.001 0.000 0.246 134 G C 1.241 176.122 174.900 -0.032 0.000 0.984 134 G CA 0.821 45.882 45.100 -0.066 0.000 0.633 134 G HN 0.671 nan 8.290 nan 0.000 0.525 135 S N -0.384 115.316 115.700 -0.000 0.000 2.425 135 S HA 0.387 4.857 4.470 0.001 0.000 0.225 135 S C 2.380 177.003 174.600 0.039 0.000 1.024 135 S CA 1.639 59.845 58.200 0.011 0.000 0.951 135 S CB 0.047 63.255 63.200 0.014 0.000 0.796 135 S HN 2.398 nan 8.310 nan 0.000 0.498 136 G N 0.561 109.410 108.800 0.081 0.000 2.157 136 G HA2 -0.049 3.911 3.960 0.001 0.000 0.248 136 G HA3 -0.049 3.911 3.960 0.001 0.000 0.248 136 G C 0.345 175.390 174.900 0.242 0.000 0.979 136 G CA -0.025 45.161 45.100 0.143 0.000 0.650 136 G HN 1.057 nan 8.290 nan 0.000 0.529 137 G N -0.899 107.990 108.800 0.147 0.000 2.531 137 G HA2 0.624 4.585 3.960 0.001 0.000 0.313 137 G HA3 0.624 4.585 3.960 0.001 0.000 0.313 137 G C 0.215 175.053 174.900 -0.104 0.000 1.238 137 G CA -0.861 44.271 45.100 0.053 0.000 0.994 137 G HN 0.321 nan 8.290 nan 0.000 0.493 138 R N -0.042 120.280 120.500 -0.296 0.000 2.643 138 R HA 0.109 4.449 4.340 0.001 0.000 0.270 138 R C 0.678 176.891 176.300 -0.146 0.000 1.061 138 R CA -0.325 55.533 56.100 -0.404 0.000 1.107 138 R CB 0.527 30.677 30.300 -0.249 0.000 0.999 138 R HN 0.622 nan 8.270 nan 0.000 0.460 139 R N 1.459 121.906 120.500 -0.088 0.000 2.438 139 R HA -0.027 4.314 4.340 0.001 0.000 0.287 139 R C -0.690 175.577 176.300 -0.055 0.000 1.077 139 R CA -0.238 55.837 56.100 -0.043 0.000 1.034 139 R CB 0.470 30.746 30.300 -0.040 0.000 0.993 139 R HN 0.466 nan 8.270 nan 0.000 0.459 140 D N 2.528 122.886 120.400 -0.069 0.000 2.352 140 D HA 0.099 4.739 4.640 0.001 0.000 0.245 140 D C -1.044 175.191 176.300 -0.108 0.000 1.224 140 D CA 0.147 54.102 54.000 -0.074 0.000 0.879 140 D CB 0.619 41.385 40.800 -0.056 0.000 1.057 140 D HN 0.547 nan 8.370 nan 0.000 0.491 141 S N 2.536 118.156 115.700 -0.134 0.000 2.661 141 S HA 0.299 4.770 4.470 0.001 0.000 0.285 141 S C 1.115 175.596 174.600 -0.199 0.000 1.138 141 S CA -0.886 57.220 58.200 -0.157 0.000 0.855 141 S CB 1.127 64.234 63.200 -0.154 0.000 1.136 141 S HN 0.384 nan 8.310 nan 0.000 0.484 142 N N 1.240 119.827 118.700 -0.188 0.000 2.192 142 N HA -0.147 4.593 4.740 0.001 0.000 0.188 142 N C 1.443 176.776 175.510 -0.295 0.000 1.013 142 N CA 1.526 54.459 53.050 -0.196 0.000 0.863 142 N CB -1.009 37.379 38.487 -0.165 0.000 0.990 142 N HN 0.667 nan 8.380 nan 0.000 0.430 143 L N -0.387 120.559 121.223 -0.461 0.000 2.027 143 L HA -0.100 4.240 4.340 0.001 0.000 0.206 143 L C 2.758 178.978 176.870 -1.084 0.000 1.074 143 L CA 1.271 55.617 54.840 -0.824 0.000 0.745 143 L CB -0.507 40.790 42.059 -1.271 0.000 0.898 143 L HN 0.207 nan 8.230 nan 0.000 0.433 144 Q N 0.553 119.833 119.800 -0.868 0.000 2.224 144 Q HA -0.159 4.182 4.340 0.001 0.000 0.203 144 Q C 2.079 177.973 176.000 -0.176 0.000 0.970 144 Q CA 1.500 57.049 55.803 -0.424 0.000 0.865 144 Q CB -0.045 28.655 28.738 -0.064 0.000 0.922 144 Q HN 0.279 nan 8.270 nan 0.000 0.445 145 R N -0.611 119.774 120.500 -0.191 0.000 2.307 145 R HA 0.004 4.345 4.340 0.001 0.000 0.199 145 R C 1.773 178.028 176.300 -0.075 0.000 1.000 145 R CA 1.205 57.246 56.100 -0.098 0.000 1.023 145 R CB -0.064 30.180 30.300 -0.093 0.000 0.908 145 R HN 0.452 nan 8.270 nan 0.000 0.473 146 T N -2.549 111.937 114.554 -0.114 0.000 3.085 146 T HA 0.158 4.508 4.350 0.001 0.000 0.263 146 T C 0.818 175.536 174.700 0.031 0.000 1.127 146 T CA 0.521 62.593 62.100 -0.046 0.000 1.103 146 T CB 0.515 69.348 68.868 -0.059 0.000 0.921 146 T HN 0.296 nan 8.240 nan 0.000 0.510 147 G N 0.803 109.640 108.800 0.062 0.000 2.521 147 G HA2 0.001 3.962 3.960 0.001 0.000 0.589 147 G HA3 0.001 3.962 3.960 0.001 0.000 0.589 147 G C -0.112 174.948 174.900 0.265 0.000 1.501 147 G CA -0.278 44.900 45.100 0.130 0.000 0.887 147 G HN 0.118 nan 8.290 nan 0.000 0.654 148 N N 0.535 119.363 118.700 0.213 0.000 2.348 148 N HA -0.137 4.604 4.740 0.001 0.000 0.185 148 N C 1.804 177.450 175.510 0.228 0.000 1.019 148 N CA 2.066 55.260 53.050 0.239 0.000 0.880 148 N CB 0.160 38.721 38.487 0.123 0.000 0.965 148 N HN 0.654 nan 8.380 nan 0.000 0.437 149 D N -0.396 120.125 120.400 0.203 0.000 2.336 149 D HA -0.124 4.517 4.640 0.001 0.000 0.229 149 D C 1.681 178.091 176.300 0.183 0.000 1.061 149 D CA -0.050 54.039 54.000 0.149 0.000 0.875 149 D CB -0.863 40.003 40.800 0.111 0.000 0.904 149 D HN 0.585 nan 8.370 nan 0.000 0.525 150 W N 1.493 122.847 121.300 0.091 0.000 2.358 150 W HA -0.120 4.540 4.660 0.001 0.000 0.303 150 W C 1.586 178.190 176.519 0.141 0.000 1.208 150 W CA 0.152 57.554 57.345 0.095 0.000 1.274 150 W CB -1.145 28.363 29.460 0.080 0.000 1.138 150 W HN -0.095 nan 8.180 nan 0.000 0.515 151 I N 1.482 121.685 120.570 -0.611 0.000 2.163 151 I HA -0.324 3.846 4.170 0.001 0.000 0.243 151 I C 2.824 178.977 176.117 0.060 0.000 1.085 151 I CA 2.343 63.382 61.300 -0.434 0.000 1.347 151 I CB -0.775 37.031 38.000 -0.323 0.000 1.044 151 I HN 0.046 nan 8.210 nan 0.000 0.408 152 E N 0.889 121.097 120.200 0.013 0.000 2.085 152 E HA -0.213 4.137 4.350 0.001 0.000 0.194 152 E C 2.292 178.869 176.600 -0.038 0.000 0.994 152 E CA 1.713 58.005 56.400 -0.180 0.000 0.801 152 E CB 0.127 29.694 29.700 -0.222 0.000 0.743 152 E HN 0.292 nan 8.360 nan 0.000 0.453 153 V N 1.214 121.146 119.914 0.030 0.000 2.295 153 V HA -0.277 3.844 4.120 0.001 0.000 0.246 153 V C 2.490 178.617 176.094 0.055 0.000 1.049 153 V CA 1.785 64.119 62.300 0.056 0.000 1.024 153 V CB -0.902 30.985 31.823 0.107 0.000 0.648 153 V HN 0.441 nan 8.190 nan 0.000 0.447 154 A N -0.331 122.522 122.820 0.055 0.000 1.883 154 A HA -0.230 4.091 4.320 0.001 0.000 0.217 154 A C 2.051 179.557 177.584 -0.130 0.000 1.186 154 A CA 2.114 54.132 52.037 -0.033 0.000 0.624 154 A CB -0.766 18.184 19.000 -0.083 0.000 0.822 154 A HN 0.470 nan 8.150 nan 0.000 0.444 155 F N -0.332 119.603 119.950 -0.026 0.000 2.146 155 F HA -0.078 4.450 4.527 0.001 0.000 0.298 155 F C 2.594 178.364 175.800 -0.050 0.000 1.096 155 F CA 1.665 59.643 58.000 -0.036 0.000 1.275 155 F CB -0.295 38.658 39.000 -0.078 0.000 1.008 155 F HN 0.100 nan 8.300 nan 0.000 0.480 156 R N -0.567 119.994 120.500 0.102 0.000 2.096 156 R HA -0.115 4.225 4.340 0.001 0.000 0.235 156 R C 2.076 178.391 176.300 0.025 0.000 1.127 156 R CA 1.874 57.998 56.100 0.040 0.000 0.968 156 R CB -0.973 29.330 30.300 0.005 0.000 0.861 156 R HN 0.219 nan 8.270 nan 0.000 0.440 157 T N 0.952 115.513 114.554 0.013 0.000 2.708 157 T HA -0.136 4.214 4.350 0.001 0.000 0.266 157 T C 1.998 176.679 174.700 -0.032 0.000 1.037 157 T CA 1.415 63.511 62.100 -0.006 0.000 1.146 157 T CB -0.281 68.585 68.868 -0.003 0.000 0.865 157 T HN 0.372 nan 8.240 nan 0.000 0.435 158 A N 1.911 124.699 122.820 -0.053 0.000 1.908 158 A HA -0.155 4.166 4.320 0.001 0.000 0.218 158 A C 2.264 179.837 177.584 -0.019 0.000 1.181 158 A CA 2.117 54.103 52.037 -0.086 0.000 0.627 158 A CB -0.596 18.331 19.000 -0.121 0.000 0.818 158 A HN 0.341 nan 8.150 nan 0.000 0.445 159 R N 0.220 120.743 120.500 0.037 0.000 2.091 159 R HA -0.077 4.264 4.340 0.001 0.000 0.238 159 R C 2.128 178.442 176.300 0.023 0.000 1.136 159 R CA 2.132 58.263 56.100 0.052 0.000 0.959 159 R CB -0.903 29.435 30.300 0.063 0.000 0.856 159 R HN 0.400 nan 8.270 nan 0.000 0.437 160 A N 0.135 122.959 122.820 0.008 0.000 1.898 160 A HA 0.013 4.334 4.320 0.001 0.000 0.216 160 A C 2.393 179.968 177.584 -0.014 0.000 1.181 160 A CA 1.694 53.730 52.037 -0.001 0.000 0.620 160 A CB -1.069 17.929 19.000 -0.003 0.000 0.819 160 A HN 0.501 nan 8.150 nan 0.000 0.442 161 A N -1.237 121.562 122.820 -0.035 0.000 1.902 161 A HA -0.031 4.290 4.320 0.001 0.000 0.217 161 A C 1.012 178.571 177.584 -0.042 0.000 1.181 161 A CA 1.849 53.851 52.037 -0.059 0.000 0.623 161 A CB -0.120 18.813 19.000 -0.112 0.000 0.818 161 A HN 0.426 nan 8.150 nan 0.000 0.443 162 D N -2.521 117.869 120.400 -0.017 0.000 2.337 162 D HA 0.209 4.850 4.640 0.001 0.000 0.238 162 D C -2.366 173.966 176.300 0.053 0.000 1.331 162 D CA -1.360 52.654 54.000 0.024 0.000 0.967 162 D CB 1.192 42.028 40.800 0.059 0.000 1.382 162 D HN 0.025 nan 8.370 nan 0.000 0.549 163 P HA -0.041 nan 4.420 nan 0.000 0.228 163 P C 0.989 178.328 177.300 0.066 0.000 1.151 163 P CA 0.395 63.526 63.100 0.052 0.000 0.770 163 P CB 0.386 32.108 31.700 0.035 0.000 0.786 164 A N -0.201 122.660 122.820 0.069 0.000 2.123 164 A HA 0.348 4.669 4.320 0.001 0.000 0.214 164 A C 1.465 179.108 177.584 0.098 0.000 1.152 164 A CA 0.504 52.584 52.037 0.072 0.000 0.728 164 A CB -0.688 18.348 19.000 0.060 0.000 0.814 164 A HN 0.301 nan 8.150 nan 0.000 0.464 165 A N 0.275 123.178 122.820 0.139 0.000 2.316 165 A HA 0.527 4.847 4.320 0.001 0.000 0.284 165 A C 0.010 177.702 177.584 0.181 0.000 1.115 165 A CA -0.536 51.613 52.037 0.186 0.000 0.812 165 A CB 0.261 19.472 19.000 0.352 0.000 1.064 165 A HN 0.347 nan 8.150 nan 0.000 0.489 166 K N 1.754 122.251 120.400 0.163 0.000 2.312 166 K HA 0.351 4.672 4.320 0.001 0.000 0.287 166 K C -1.028 175.711 176.600 0.231 0.000 1.062 166 K CA 0.145 56.532 56.287 0.166 0.000 0.934 166 K CB 0.610 33.190 32.500 0.132 0.000 1.027 166 K HN 0.568 nan 8.250 nan 0.000 0.478 167 L N 4.184 125.568 121.223 0.268 0.000 2.265 167 L HA 0.312 4.653 4.340 0.001 0.000 0.288 167 L C -0.293 176.848 176.870 0.452 0.000 1.058 167 L CA -0.857 54.214 54.840 0.386 0.000 0.809 167 L CB 0.803 43.147 42.059 0.476 0.000 1.179 167 L HN 0.648 nan 8.230 nan 0.000 0.429 168 c N 2.056 120.909 118.600 0.421 0.000 2.454 168 c HA 0.461 5.031 4.570 0.001 0.000 0.336 168 c C -0.215 174.156 174.090 0.468 0.000 1.189 168 c CA -0.902 55.643 56.329 0.360 0.000 1.877 168 c CB 1.478 44.098 42.510 0.183 0.000 2.348 168 c HN 0.630 nan 8.230 nan 0.000 0.508 169 Y N 2.516 122.999 120.300 0.304 0.000 2.331 169 Y HA 0.525 5.076 4.550 0.001 0.000 0.338 169 Y C -0.254 175.653 175.900 0.011 0.000 0.992 169 Y CA -0.294 57.969 58.100 0.273 0.000 1.121 169 Y CB 0.471 39.050 38.460 0.198 0.000 1.184 169 Y HN 0.775 nan 8.280 nan 0.000 0.469 170 N N 4.429 122.649 118.700 -0.800 0.000 2.321 170 N HA 0.411 5.151 4.740 0.001 0.000 0.299 170 N C -1.955 173.128 175.510 -0.712 0.000 1.048 170 N CA -0.293 52.392 53.050 -0.608 0.000 0.836 170 N CB 1.229 39.517 38.487 -0.332 0.000 1.269 170 N HN 0.780 nan 8.380 nan 0.000 0.486 171 D N 0.357 120.480 120.400 -0.461 0.000 2.639 171 D HA 0.250 4.890 4.640 0.001 0.000 0.271 171 D C -1.387 174.847 176.300 -0.110 0.000 1.254 171 D CA -0.273 53.583 54.000 -0.241 0.000 0.810 171 D CB 0.998 41.708 40.800 -0.151 0.000 1.351 171 D HN 0.420 nan 8.370 nan 0.000 0.427 172 Y N -0.502 119.770 120.300 -0.047 0.000 2.621 172 Y HA 0.511 5.062 4.550 0.001 0.000 0.334 172 Y C 0.698 176.614 175.900 0.028 0.000 1.074 172 Y CA -0.906 57.176 58.100 -0.030 0.000 1.149 172 Y CB 0.529 39.026 38.460 0.062 0.000 1.302 172 Y HN 0.587 nan 8.280 nan 0.000 0.501 173 N N 0.495 119.230 118.700 0.059 0.000 2.714 173 N HA -0.226 4.515 4.740 0.001 0.000 0.250 173 N C -0.149 175.337 175.510 -0.039 0.000 1.117 173 N CA 0.948 53.988 53.050 -0.017 0.000 0.719 173 N CB -1.008 37.614 38.487 0.226 0.000 1.081 173 N HN 0.792 nan 8.380 nan 0.000 0.557 174 I N -3.818 116.732 120.570 -0.032 0.000 3.833 174 I HA 0.288 4.458 4.170 0.001 0.000 0.328 174 I C 0.718 176.989 176.117 0.257 0.000 1.554 174 I CA -0.434 60.918 61.300 0.086 0.000 1.116 174 I CB 0.545 38.555 38.000 0.016 0.000 1.182 174 I HN -0.141 nan 8.210 nan 0.000 0.459 175 E N 1.106 121.347 120.200 0.068 0.000 2.140 175 E HA 0.073 4.423 4.350 0.001 0.000 0.191 175 E C 0.768 177.432 176.600 0.108 0.000 0.973 175 E CA 0.316 56.779 56.400 0.104 0.000 0.829 175 E CB 0.051 29.518 29.700 -0.390 0.000 0.781 175 E HN 0.365 nan 8.360 nan 0.000 0.466 176 N N 0.872 119.454 118.700 -0.196 0.000 2.420 176 N HA -0.084 4.656 4.740 0.001 0.000 0.262 176 N C 0.117 175.687 175.510 0.101 0.000 1.144 176 N CA 0.002 52.939 53.050 -0.188 0.000 0.952 176 N CB 0.289 38.355 38.487 -0.702 0.000 1.081 176 N HN 0.306 nan 8.380 nan 0.000 0.480 177 W N 3.515 124.831 121.300 0.028 0.000 2.364 177 W HA -0.196 4.464 4.660 0.001 0.000 0.281 177 W C 1.242 177.819 176.519 0.097 0.000 1.219 177 W CA 1.802 59.186 57.345 0.065 0.000 1.220 177 W CB 0.174 29.641 29.460 0.011 0.000 1.127 177 W HN 0.630 nan 8.180 nan 0.000 0.556 178 T N -3.023 111.617 114.554 0.143 0.000 3.088 178 T HA -0.105 4.245 4.350 0.001 0.000 0.259 178 T C 0.272 175.078 174.700 0.177 0.000 1.122 178 T CA -0.057 62.096 62.100 0.088 0.000 1.095 178 T CB -0.600 68.376 68.868 0.180 0.000 0.930 178 T HN -0.066 nan 8.240 nan 0.000 0.508 179 W N 1.362 122.613 121.300 -0.081 0.000 2.190 179 W HA 0.688 5.349 4.660 0.001 0.000 0.330 179 W C 1.575 178.032 176.519 -0.104 0.000 1.299 179 W CA -1.079 56.232 57.345 -0.057 0.000 1.215 179 W CB 0.406 29.867 29.460 0.001 0.000 1.147 179 W HN 0.185 nan 8.180 nan 0.000 0.563 180 A N 2.937 125.798 122.820 0.069 0.000 1.902 180 A HA -0.209 4.112 4.320 0.001 0.000 0.217 180 A C 2.044 179.661 177.584 0.056 0.000 1.181 180 A CA 1.758 53.802 52.037 0.010 0.000 0.623 180 A CB -0.509 18.479 19.000 -0.019 0.000 0.818 180 A HN 0.720 nan 8.150 nan 0.000 0.443 181 K N -0.787 119.693 120.400 0.133 0.000 2.032 181 K HA -0.158 4.162 4.320 0.001 0.000 0.209 181 K C 2.081 178.698 176.600 0.028 0.000 1.048 181 K CA 1.964 58.326 56.287 0.126 0.000 0.927 181 K CB -0.374 32.240 32.500 0.190 0.000 0.712 181 K HN 0.478 nan 8.250 nan 0.000 0.441 182 T N 1.436 116.054 114.554 0.107 0.000 2.635 182 T HA -0.167 4.183 4.350 0.001 0.000 0.267 182 T C 1.807 176.522 174.700 0.025 0.000 1.040 182 T CA 1.318 63.489 62.100 0.118 0.000 1.156 182 T CB -0.205 68.761 68.868 0.163 0.000 0.863 182 T HN 0.286 nan 8.240 nan 0.000 0.430 183 Q N 0.441 120.159 119.800 -0.138 0.000 2.170 183 Q HA -0.000 4.340 4.340 0.001 0.000 0.203 183 Q C 2.719 178.671 176.000 -0.081 0.000 0.976 183 Q CA 1.526 57.212 55.803 -0.195 0.000 0.858 183 Q CB -1.033 27.550 28.738 -0.258 0.000 0.907 183 Q HN 0.639 nan 8.270 nan 0.000 0.433 184 G N 0.301 109.044 108.800 -0.095 0.000 2.440 184 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 184 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 184 G C 1.600 176.221 174.900 -0.465 0.000 1.154 184 G CA 1.025 46.067 45.100 -0.097 0.000 0.767 184 G HN 0.288 nan 8.290 nan 0.000 0.552 185 V N -0.334 119.161 119.914 -0.698 0.000 2.453 185 V HA -0.113 4.007 4.120 0.001 0.000 0.247 185 V C 2.232 178.211 176.094 -0.191 0.000 1.048 185 V CA 1.474 63.331 62.300 -0.739 0.000 1.049 185 V CB -0.674 30.859 31.823 -0.483 0.000 0.672 185 V HN 0.457 nan 8.190 nan 0.000 0.457 186 Y N 2.225 122.460 120.300 -0.109 0.000 2.128 186 Y HA -0.271 4.279 4.550 0.001 0.000 0.284 186 Y C 2.512 178.238 175.900 -0.290 0.000 1.154 186 Y CA 2.111 60.001 58.100 -0.350 0.000 1.149 186 Y CB -0.383 37.841 38.460 -0.394 0.000 0.976 186 Y HN 0.296 nan 8.280 nan 0.000 0.505 187 N N 0.104 118.679 118.700 -0.208 0.000 2.166 187 N HA -0.235 4.505 4.740 0.001 0.000 0.186 187 N C 2.053 177.371 175.510 -0.321 0.000 1.019 187 N CA 1.761 54.670 53.050 -0.236 0.000 0.856 187 N CB -0.612 37.827 38.487 -0.080 0.000 0.993 187 N HN 0.543 nan 8.380 nan 0.000 0.426 188 M N 0.563 119.946 119.600 -0.362 0.000 2.086 188 M HA -0.119 4.362 4.480 0.001 0.000 0.261 188 M C 1.620 177.424 176.300 -0.827 0.000 1.067 188 M CA 1.370 56.324 55.300 -0.577 0.000 1.116 188 M CB 0.025 32.273 32.600 -0.585 0.000 1.348 188 M HN -0.121 nan 8.290 nan 0.000 0.407 189 V N 0.715 120.255 119.914 -0.623 0.000 2.407 189 V HA -0.265 3.856 4.120 0.001 0.000 0.248 189 V C 2.549 178.454 176.094 -0.316 0.000 1.055 189 V CA 2.177 64.219 62.300 -0.430 0.000 1.049 189 V CB -1.118 30.609 31.823 -0.160 0.000 0.662 189 V HN 0.560 nan 8.190 nan 0.000 0.455 190 R N 0.489 120.723 120.500 -0.443 0.000 2.073 190 R HA -0.246 4.094 4.340 0.001 0.000 0.234 190 R C 2.148 178.340 176.300 -0.181 0.000 1.134 190 R CA 2.456 58.338 56.100 -0.363 0.000 0.952 190 R CB -0.573 29.425 30.300 -0.504 0.000 0.850 190 R HN 0.604 nan 8.270 nan 0.000 0.433 191 D N -0.287 120.009 120.400 -0.174 0.000 2.104 191 D HA -0.205 4.436 4.640 0.001 0.000 0.194 191 D C 1.791 178.161 176.300 0.117 0.000 0.994 191 D CA 1.490 55.468 54.000 -0.037 0.000 0.830 191 D CB -0.165 40.610 40.800 -0.041 0.000 0.959 191 D HN 0.178 nan 8.370 nan 0.000 0.452 192 F N 0.964 120.834 119.950 -0.132 0.000 2.091 192 F HA -0.126 4.401 4.527 0.001 0.000 0.299 192 F C 2.385 178.117 175.800 -0.113 0.000 1.103 192 F CA 0.990 58.910 58.000 -0.135 0.000 1.228 192 F CB -0.882 37.996 39.000 -0.204 0.000 0.984 192 F HN 0.021 nan 8.300 nan 0.000 0.477 193 K N 0.455 120.909 120.400 0.091 0.000 2.097 193 K HA -0.164 4.157 4.320 0.001 0.000 0.206 193 K C 2.004 178.609 176.600 0.008 0.000 1.049 193 K CA 1.149 57.448 56.287 0.020 0.000 0.933 193 K CB -0.666 31.826 32.500 -0.014 0.000 0.717 193 K HN 0.459 nan 8.250 nan 0.000 0.442 194 Q N -0.031 119.771 119.800 0.004 0.000 2.079 194 Q HA -0.063 4.277 4.340 0.001 0.000 0.200 194 Q C 1.837 177.841 176.000 0.008 0.000 0.974 194 Q CA 1.141 56.944 55.803 0.000 0.000 0.840 194 Q CB -0.062 28.672 28.738 -0.007 0.000 0.898 194 Q HN 0.231 nan 8.270 nan 0.000 0.430 195 R N -0.455 120.057 120.500 0.021 0.000 2.310 195 R HA 0.085 4.425 4.340 0.001 0.000 0.202 195 R C 0.789 177.080 176.300 -0.014 0.000 0.933 195 R CA 0.537 56.642 56.100 0.008 0.000 1.054 195 R CB 0.405 30.718 30.300 0.021 0.000 0.985 195 R HN 0.377 nan 8.270 nan 0.000 0.489 196 G N 1.112 109.903 108.800 -0.015 0.000 2.147 196 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 196 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 196 G C 0.167 175.026 174.900 -0.068 0.000 1.005 196 G CA -0.032 45.050 45.100 -0.030 0.000 0.713 196 G HN 0.144 nan 8.290 nan 0.000 0.515 197 V N 2.639 122.480 119.914 -0.122 0.000 2.529 197 V HA 0.292 4.412 4.120 0.001 0.000 0.292 197 V C -0.867 175.108 176.094 -0.198 0.000 1.028 197 V CA -0.627 61.512 62.300 -0.268 0.000 1.074 197 V CB 1.030 32.432 31.823 -0.701 0.000 0.958 197 V HN 0.324 nan 8.190 nan 0.000 0.481 198 P HA 0.234 nan 4.420 nan 0.000 0.268 198 P C -0.626 176.635 177.300 -0.066 0.000 1.282 198 P CA 0.454 63.530 63.100 -0.041 0.000 0.880 198 P CB 0.562 32.280 31.700 0.030 0.000 0.971 199 I N 2.900 123.404 120.570 -0.111 0.000 2.610 199 I HA 0.252 4.422 4.170 0.001 0.000 0.289 199 I C -0.145 175.968 176.117 -0.007 0.000 1.163 199 I CA -0.617 60.571 61.300 -0.186 0.000 1.044 199 I CB 2.442 40.163 38.000 -0.466 0.000 1.251 199 I HN 0.027 nan 8.210 nan 0.000 0.424 200 D N 5.583 126.034 120.400 0.085 0.000 2.454 200 D HA 0.151 4.792 4.640 0.001 0.000 0.214 200 D C 0.069 176.440 176.300 0.118 0.000 1.088 200 D CA 0.415 54.475 54.000 0.100 0.000 0.855 200 D CB 0.967 41.839 40.800 0.120 0.000 1.025 200 D HN 0.442 nan 8.370 nan 0.000 0.502 201 c N 0.202 118.887 118.600 0.143 0.000 3.239 201 c HA 0.666 5.236 4.570 0.001 0.000 0.317 201 c C -1.573 172.602 174.090 0.142 0.000 1.310 201 c CA -0.463 55.956 56.329 0.148 0.000 1.371 201 c CB 1.304 43.906 42.510 0.153 0.000 1.714 201 c HN -0.093 nan 8.230 nan 0.000 0.473 202 V N 3.265 123.238 119.914 0.099 0.000 2.487 202 V HA 0.739 4.859 4.120 0.001 0.000 0.298 202 V C 0.788 176.786 176.094 -0.160 0.000 1.028 202 V CA 0.355 62.614 62.300 -0.067 0.000 0.860 202 V CB 1.619 33.293 31.823 -0.248 0.000 0.991 202 V HN 1.266 nan 8.190 nan 0.000 0.427 203 G N 3.576 112.223 108.800 -0.255 0.000 2.322 203 G HA2 0.613 4.573 3.960 0.001 0.000 0.309 203 G HA3 0.613 4.573 3.960 0.001 0.000 0.309 203 G C -1.043 173.613 174.900 -0.406 0.000 1.121 203 G CA -0.244 44.742 45.100 -0.189 0.000 0.886 203 G HN 0.438 nan 8.290 nan 0.000 0.447 204 F N 1.500 121.400 119.950 -0.083 0.000 2.313 204 F HA 0.284 4.811 4.527 0.001 0.000 0.369 204 F C 1.702 177.403 175.800 -0.166 0.000 1.109 204 F CA -0.627 57.328 58.000 -0.076 0.000 1.132 204 F CB 1.813 40.887 39.000 0.122 0.000 1.291 204 F HN 0.542 nan 8.300 nan 0.000 0.496 205 Q N 1.294 120.995 119.800 -0.165 0.000 2.173 205 Q HA -0.203 4.138 4.340 0.001 0.000 0.208 205 Q C 0.700 176.376 176.000 -0.540 0.000 0.989 205 Q CA 1.623 57.202 55.803 -0.374 0.000 0.872 205 Q CB -0.164 28.398 28.738 -0.294 0.000 0.909 205 Q HN 0.771 nan 8.270 nan 0.000 0.420 206 S N 0.384 115.780 115.700 -0.507 0.000 3.711 206 S HA -0.127 4.343 4.470 0.001 0.000 0.374 206 S C -0.792 173.177 174.600 -1.051 0.000 0.969 206 S CA 0.133 57.782 58.200 -0.919 0.000 1.198 206 S CB -1.472 61.468 63.200 -0.434 0.000 0.903 206 S HN 0.393 nan 8.310 nan 0.000 0.493 207 H N 0.556 119.237 119.070 -0.648 0.000 2.741 207 H HA 0.396 4.953 4.556 0.001 0.000 0.282 207 H C -0.051 175.035 175.328 -0.404 0.000 1.122 207 H CA -0.184 55.673 56.048 -0.318 0.000 1.293 207 H CB -0.001 29.739 29.762 -0.036 0.000 1.415 207 H HN 0.287 nan 8.280 nan 0.000 0.472 208 F N 3.137 123.132 119.950 0.074 0.000 2.421 208 F HA 0.234 4.761 4.527 0.001 0.000 0.337 208 F C 0.622 176.446 175.800 0.041 0.000 1.105 208 F CA -0.731 57.282 58.000 0.021 0.000 1.049 208 F CB 1.211 40.192 39.000 -0.031 0.000 1.139 208 F HN 0.553 nan 8.300 nan 0.000 0.479 209 N N -2.036 116.807 118.700 0.239 0.000 3.116 209 N HA 0.174 4.914 4.740 0.001 0.000 0.244 209 N C 0.102 175.694 175.510 0.137 0.000 1.485 209 N CA -0.386 52.751 53.050 0.145 0.000 0.884 209 N CB 0.509 39.048 38.487 0.087 0.000 1.415 209 N HN 0.259 nan 8.380 nan 0.000 0.524 210 S N -1.851 113.910 115.700 0.101 0.000 2.440 210 S HA -0.072 4.398 4.470 0.001 0.000 0.238 210 S C 1.689 176.361 174.600 0.121 0.000 1.010 210 S CA 1.289 59.548 58.200 0.098 0.000 0.972 210 S CB -1.267 61.976 63.200 0.071 0.000 0.774 210 S HN 0.814 nan 8.310 nan 0.000 0.501 211 G N 1.400 110.275 108.800 0.126 0.000 2.394 211 G HA2 0.085 4.045 3.960 0.001 0.000 0.215 211 G HA3 0.085 4.045 3.960 0.001 0.000 0.215 211 G C 0.709 175.759 174.900 0.250 0.000 1.165 211 G CA 0.662 45.856 45.100 0.157 0.000 0.784 211 G HN 0.947 nan 8.290 nan 0.000 0.535 212 S N 0.724 116.570 115.700 0.244 0.000 2.279 212 S HA 0.563 5.033 4.470 0.001 0.000 0.176 212 S C -3.132 171.591 174.600 0.206 0.000 1.554 212 S CA -1.402 56.956 58.200 0.264 0.000 1.242 212 S CB 2.358 65.692 63.200 0.225 0.000 1.163 212 S HN -0.024 nan 8.310 nan 0.000 0.449 213 P HA 0.111 nan 4.420 nan 0.000 0.269 213 P C -0.399 176.933 177.300 0.054 0.000 1.215 213 P CA -0.280 62.904 63.100 0.142 0.000 0.780 213 P CB 0.224 31.984 31.700 0.099 0.000 0.898 214 Y N 2.619 122.748 120.300 -0.284 0.000 2.480 214 Y HA 0.218 4.769 4.550 0.001 0.000 0.338 214 Y C 0.066 175.761 175.900 -0.341 0.000 1.220 214 Y CA 0.340 57.972 58.100 -0.781 0.000 1.430 214 Y CB 0.359 38.149 38.460 -1.117 0.000 1.311 214 Y HN 0.300 nan 8.280 nan 0.000 0.575 215 N N 2.100 120.044 118.700 -1.260 0.000 2.260 215 N HA 0.086 4.827 4.740 0.001 0.000 0.293 215 N C 0.183 175.041 175.510 -1.086 0.000 1.058 215 N CA 0.198 52.761 53.050 -0.812 0.000 0.824 215 N CB 2.101 40.375 38.487 -0.355 0.000 1.551 215 N HN 0.814 nan 8.380 nan 0.000 0.475 216 S N 2.257 117.631 115.700 -0.544 0.000 2.440 216 S HA -0.230 4.240 4.470 0.001 0.000 0.238 216 S C 1.191 175.703 174.600 -0.147 0.000 1.010 216 S CA 1.424 59.489 58.200 -0.224 0.000 0.972 216 S CB -0.558 62.626 63.200 -0.027 0.000 0.774 216 S HN 0.782 nan 8.310 nan 0.000 0.501 217 N N 1.064 119.680 118.700 -0.139 0.000 2.571 217 N HA -0.047 4.693 4.740 0.001 0.000 0.189 217 N C 0.988 176.505 175.510 0.013 0.000 1.154 217 N CA 0.341 53.364 53.050 -0.045 0.000 0.907 217 N CB -0.944 37.567 38.487 0.039 0.000 0.977 217 N HN 0.420 nan 8.380 nan 0.000 0.449 218 F N 1.865 121.676 119.950 -0.232 0.000 2.171 218 F HA 0.009 4.537 4.527 0.001 0.000 0.300 218 F C 2.288 178.003 175.800 -0.141 0.000 1.090 218 F CA 0.941 58.846 58.000 -0.158 0.000 1.293 218 F CB -0.377 38.543 39.000 -0.133 0.000 1.013 218 F HN 0.104 nan 8.300 nan 0.000 0.486 219 R N -0.378 120.014 120.500 -0.181 0.000 2.081 219 R HA -0.139 4.201 4.340 0.001 0.000 0.235 219 R C 2.035 178.159 176.300 -0.293 0.000 1.131 219 R CA 2.030 57.950 56.100 -0.301 0.000 0.960 219 R CB -0.566 29.637 30.300 -0.161 0.000 0.856 219 R HN 0.279 nan 8.270 nan 0.000 0.436 220 T N 0.035 114.442 114.554 -0.245 0.000 2.720 220 T HA -0.134 4.217 4.350 0.001 0.000 0.268 220 T C 1.725 176.136 174.700 -0.480 0.000 1.037 220 T CA 1.942 63.823 62.100 -0.365 0.000 1.144 220 T CB -0.405 68.227 68.868 -0.393 0.000 0.864 220 T HN 0.374 nan 8.240 nan 0.000 0.444 221 T N 2.587 116.979 114.554 -0.270 0.000 2.652 221 T HA -0.003 4.347 4.350 0.001 0.000 0.267 221 T C 2.010 176.700 174.700 -0.017 0.000 1.039 221 T CA 1.017 63.116 62.100 -0.002 0.000 1.153 221 T CB -0.561 68.525 68.868 0.364 0.000 0.863 221 T HN 0.264 nan 8.240 nan 0.000 0.428 222 L N 0.711 121.722 121.223 -0.354 0.000 2.042 222 L HA -0.188 4.152 4.340 0.001 0.000 0.210 222 L C 2.882 179.665 176.870 -0.145 0.000 1.076 222 L CA 1.522 56.120 54.840 -0.403 0.000 0.749 222 L CB -0.664 41.013 42.059 -0.636 0.000 0.893 222 L HN 0.345 nan 8.230 nan 0.000 0.432 223 Q N -0.435 119.246 119.800 -0.199 0.000 2.119 223 Q HA -0.143 4.198 4.340 0.001 0.000 0.201 223 Q C 2.031 177.961 176.000 -0.117 0.000 0.972 223 Q CA 1.134 56.846 55.803 -0.152 0.000 0.847 223 Q CB -0.093 28.528 28.738 -0.195 0.000 0.903 223 Q HN 0.504 nan 8.270 nan 0.000 0.433 224 N N 0.238 118.812 118.700 -0.210 0.000 2.106 224 N HA -0.105 4.636 4.740 0.001 0.000 0.188 224 N C 1.504 177.072 175.510 0.097 0.000 1.029 224 N CA 1.142 54.057 53.050 -0.225 0.000 0.848 224 N CB -0.322 37.677 38.487 -0.814 0.000 1.007 224 N HN 0.159 nan 8.380 nan 0.000 0.423 225 F N 1.625 121.684 119.950 0.182 0.000 2.134 225 F HA -0.065 4.463 4.527 0.001 0.000 0.299 225 F C 2.427 178.309 175.800 0.135 0.000 1.097 225 F CA 1.030 59.196 58.000 0.276 0.000 1.264 225 F CB -0.641 38.584 39.000 0.376 0.000 1.001 225 F HN 0.011 nan 8.300 nan 0.000 0.479 226 A N 0.151 123.118 122.820 0.246 0.000 1.917 226 A HA -0.192 4.128 4.320 0.001 0.000 0.219 226 A C 2.399 180.031 177.584 0.080 0.000 1.182 226 A CA 1.969 54.081 52.037 0.124 0.000 0.633 226 A CB -1.396 17.630 19.000 0.043 0.000 0.819 226 A HN 0.328 nan 8.150 nan 0.000 0.448 227 A N -0.470 122.384 122.820 0.056 0.000 2.024 227 A HA -0.030 4.291 4.320 0.001 0.000 0.220 227 A C 2.040 179.646 177.584 0.037 0.000 1.164 227 A CA 1.410 53.465 52.037 0.031 0.000 0.643 227 A CB -0.581 18.426 19.000 0.011 0.000 0.806 227 A HN 0.508 nan 8.150 nan 0.000 0.451 228 L N -1.637 119.616 121.223 0.051 0.000 2.362 228 L HA 0.030 4.371 4.340 0.001 0.000 0.219 228 L C 1.719 178.601 176.870 0.019 0.000 1.134 228 L CA 0.794 55.638 54.840 0.006 0.000 0.807 228 L CB -0.347 41.682 42.059 -0.049 0.000 0.927 228 L HN 0.628 nan 8.230 nan 0.000 0.447 229 G N 0.237 109.065 108.800 0.046 0.000 2.143 229 G HA2 -0.177 3.784 3.960 0.001 0.000 0.175 229 G HA3 -0.177 3.784 3.960 0.001 0.000 0.175 229 G C 0.003 174.940 174.900 0.061 0.000 1.004 229 G CA -0.067 45.058 45.100 0.043 0.000 0.671 229 G HN 0.203 nan 8.290 nan 0.000 0.512 230 V N -2.692 117.279 119.914 0.094 0.000 2.864 230 V HA 0.865 4.985 4.120 0.001 0.000 0.314 230 V C -0.159 176.012 176.094 0.128 0.000 1.073 230 V CA -1.500 60.868 62.300 0.113 0.000 0.956 230 V CB 2.055 33.964 31.823 0.143 0.000 1.023 230 V HN 0.028 nan 8.190 nan 0.000 0.435 231 D N 1.552 122.023 120.400 0.119 0.000 2.358 231 D HA 0.564 5.204 4.640 0.001 0.000 0.244 231 D C -0.020 176.370 176.300 0.149 0.000 1.163 231 D CA 0.154 54.222 54.000 0.113 0.000 0.945 231 D CB 1.965 42.828 40.800 0.104 0.000 1.152 231 D HN 0.935 nan 8.370 nan 0.000 0.451 232 V N -2.768 117.225 119.914 0.132 0.000 2.823 232 V HA 0.933 5.053 4.120 0.001 0.000 0.312 232 V C -0.849 175.326 176.094 0.136 0.000 1.072 232 V CA -0.990 61.426 62.300 0.193 0.000 0.937 232 V CB 1.537 33.451 31.823 0.152 0.000 1.013 232 V HN 0.668 nan 8.190 nan 0.000 0.430 233 A N 4.197 127.143 122.820 0.211 0.000 2.486 233 A HA 0.839 5.160 4.320 0.001 0.000 0.300 233 A C -0.998 176.699 177.584 0.189 0.000 1.048 233 A CA -0.634 51.488 52.037 0.143 0.000 0.696 233 A CB 1.617 20.721 19.000 0.173 0.000 1.278 233 A HN 0.834 nan 8.150 nan 0.000 0.405 234 I N 3.494 124.122 120.570 0.098 0.000 2.308 234 I HA 0.174 4.345 4.170 0.001 0.000 0.293 234 I C 1.570 177.713 176.117 0.044 0.000 1.078 234 I CA 0.389 61.759 61.300 0.117 0.000 1.292 234 I CB 0.110 38.158 38.000 0.080 0.000 1.423 234 I HN 0.871 nan 8.210 nan 0.000 0.493 235 T N 1.695 116.245 114.554 -0.007 0.000 3.039 235 T HA 0.178 4.528 4.350 0.001 0.000 0.250 235 T C 0.756 175.371 174.700 -0.141 0.000 1.052 235 T CA 0.274 62.330 62.100 -0.073 0.000 1.125 235 T CB 0.154 68.936 68.868 -0.143 0.000 0.908 235 T HN 0.572 nan 8.240 nan 0.000 0.473 236 E N 0.893 120.916 120.200 -0.295 0.000 3.843 236 E HA 0.326 4.677 4.350 0.001 0.000 0.189 236 E C -1.087 175.285 176.600 -0.379 0.000 1.013 236 E CA -0.472 55.693 56.400 -0.392 0.000 1.395 236 E CB 0.725 29.785 29.700 -1.067 0.000 1.136 236 E HN 0.236 nan 8.360 nan 0.000 0.444 237 L N 2.994 124.146 121.223 -0.118 0.000 2.513 237 L HA 0.099 4.439 4.340 0.001 0.000 0.272 237 L C -0.750 176.234 176.870 0.189 0.000 1.187 237 L CA 0.718 55.545 54.840 -0.021 0.000 0.895 237 L CB 0.093 42.213 42.059 0.103 0.000 1.147 237 L HN 0.156 nan 8.230 nan 0.000 0.483 238 D N 4.139 124.641 120.400 0.171 0.000 2.878 238 D HA 0.398 5.038 4.640 0.001 0.000 0.211 238 D C -0.990 175.428 176.300 0.196 0.000 1.271 238 D CA -0.301 53.892 54.000 0.322 0.000 0.845 238 D CB 0.329 41.436 40.800 0.512 0.000 1.679 238 D HN 0.381 nan 8.370 nan 0.000 0.536 239 I N 1.118 121.756 120.570 0.112 0.000 2.389 239 I HA 0.247 4.418 4.170 0.001 0.000 0.288 239 I C 0.209 176.405 176.117 0.132 0.000 0.999 239 I CA -0.971 60.370 61.300 0.068 0.000 1.129 239 I CB 1.985 39.859 38.000 -0.210 0.000 1.288 239 I HN 0.396 nan 8.210 nan 0.000 0.444 240 Q N 5.340 125.215 119.800 0.124 0.000 2.239 240 Q HA 0.121 4.462 4.340 0.001 0.000 0.286 240 Q C 1.118 177.170 176.000 0.087 0.000 1.102 240 Q CA 1.317 57.177 55.803 0.095 0.000 0.936 240 Q CB 0.318 29.100 28.738 0.073 0.000 1.127 240 Q HN 1.023 nan 8.270 nan 0.000 0.380 241 G N 3.155 112.010 108.800 0.091 0.000 2.199 241 G HA2 -0.327 3.633 3.960 0.001 0.000 0.254 241 G HA3 -0.327 3.633 3.960 0.001 0.000 0.254 241 G C 0.497 175.461 174.900 0.107 0.000 0.982 241 G CA 0.115 45.261 45.100 0.076 0.000 0.632 241 G HN 1.863 nan 8.290 nan 0.000 0.529 242 A N -0.915 122.012 122.820 0.179 0.000 2.640 242 A HA 0.092 4.413 4.320 0.001 0.000 0.300 242 A C 1.292 179.032 177.584 0.260 0.000 1.499 242 A CA 1.885 54.119 52.037 0.328 0.000 0.759 242 A CB -1.893 17.285 19.000 0.297 0.000 1.048 242 A HN 2.468 nan 8.150 nan 0.000 0.450 243 S N -0.016 115.774 115.700 0.150 0.000 2.546 243 S HA 0.319 4.790 4.470 0.001 0.000 0.290 243 S C 1.540 176.227 174.600 0.145 0.000 1.290 243 S CA 0.418 58.669 58.200 0.085 0.000 1.069 243 S CB 0.631 63.839 63.200 0.014 0.000 0.846 243 S HN 1.019 nan 8.310 nan 0.000 0.495 244 S N 4.077 119.836 115.700 0.098 0.000 2.368 244 S HA -0.090 4.381 4.470 0.001 0.000 0.225 244 S C 2.189 176.851 174.600 0.104 0.000 1.030 244 S CA 1.624 59.898 58.200 0.124 0.000 0.999 244 S CB -0.432 62.849 63.200 0.135 0.000 0.844 244 S HN 0.805 nan 8.310 nan 0.000 0.459 245 S N 1.161 116.892 115.700 0.052 0.000 2.355 245 S HA -0.090 4.381 4.470 0.001 0.000 0.222 245 S C 2.159 176.714 174.600 -0.075 0.000 1.031 245 S CA 1.561 59.768 58.200 0.011 0.000 0.993 245 S CB -0.679 62.524 63.200 0.005 0.000 0.859 245 S HN 0.601 nan 8.310 nan 0.000 0.453 246 T N 0.871 115.346 114.554 -0.133 0.000 2.746 246 T HA -0.078 4.272 4.350 0.001 0.000 0.267 246 T C 1.544 176.041 174.700 -0.338 0.000 1.039 246 T CA 1.220 63.098 62.100 -0.369 0.000 1.142 246 T CB -0.470 68.184 68.868 -0.355 0.000 0.866 246 T HN 0.328 nan 8.240 nan 0.000 0.444 247 Y N 1.561 121.783 120.300 -0.129 0.000 2.181 247 Y HA -0.009 4.541 4.550 0.001 0.000 0.288 247 Y C 2.701 178.572 175.900 -0.048 0.000 1.146 247 Y CA 0.674 58.748 58.100 -0.043 0.000 1.164 247 Y CB -0.745 37.724 38.460 0.016 0.000 0.982 247 Y HN 0.210 nan 8.280 nan 0.000 0.515 248 A N -0.506 122.373 122.820 0.098 0.000 1.930 248 A HA -0.055 4.265 4.320 0.001 0.000 0.217 248 A C 2.424 180.000 177.584 -0.014 0.000 1.175 248 A CA 1.533 53.595 52.037 0.042 0.000 0.627 248 A CB -1.184 17.834 19.000 0.029 0.000 0.815 248 A HN 0.400 nan 8.150 nan 0.000 0.443 249 A N -0.405 122.350 122.820 -0.109 0.000 1.877 249 A HA -0.024 4.296 4.320 0.001 0.000 0.216 249 A C 2.218 179.733 177.584 -0.116 0.000 1.186 249 A CA 1.837 53.782 52.037 -0.153 0.000 0.620 249 A CB -0.994 17.799 19.000 -0.346 0.000 0.822 249 A HN 0.389 nan 8.150 nan 0.000 0.443 250 V N -0.131 119.670 119.914 -0.188 0.000 2.343 250 V HA -0.238 3.883 4.120 0.001 0.000 0.247 250 V C 2.745 178.893 176.094 0.091 0.000 1.051 250 V CA 2.482 64.806 62.300 0.040 0.000 1.036 250 V CB -1.323 30.551 31.823 0.084 0.000 0.654 250 V HN 0.620 nan 8.190 nan 0.000 0.451 251 T N 0.281 114.894 114.554 0.098 0.000 2.746 251 T HA -0.173 4.178 4.350 0.001 0.000 0.267 251 T C 1.816 176.541 174.700 0.043 0.000 1.039 251 T CA 1.617 63.786 62.100 0.115 0.000 1.142 251 T CB -0.380 68.574 68.868 0.144 0.000 0.866 251 T HN 0.426 nan 8.240 nan 0.000 0.444 252 N N 1.233 119.945 118.700 0.020 0.000 2.309 252 N HA -0.076 4.665 4.740 0.001 0.000 0.182 252 N C 1.453 176.947 175.510 -0.026 0.000 1.018 252 N CA 0.816 53.864 53.050 -0.003 0.000 0.876 252 N CB -0.310 38.175 38.487 -0.003 0.000 0.972 252 N HN 0.383 nan 8.380 nan 0.000 0.434 253 D N 0.265 120.649 120.400 -0.026 0.000 2.117 253 D HA -0.101 4.540 4.640 0.001 0.000 0.197 253 D C 2.001 178.206 176.300 -0.157 0.000 0.987 253 D CA 0.548 54.490 54.000 -0.096 0.000 0.829 253 D CB -0.476 40.258 40.800 -0.110 0.000 0.961 253 D HN 0.198 nan 8.370 nan 0.000 0.460 254 c N 0.446 118.972 118.600 -0.123 0.000 2.446 254 c HA 0.000 4.571 4.570 0.001 0.000 0.277 254 c C 2.769 176.799 174.090 -0.099 0.000 1.275 254 c CA 0.208 56.456 56.329 -0.135 0.000 1.727 254 c CB -1.215 41.233 42.510 -0.103 0.000 2.010 254 c HN 0.274 nan 8.230 nan 0.000 0.486 255 L N 1.056 122.242 121.223 -0.062 0.000 2.201 255 L HA -0.048 4.292 4.340 0.001 0.000 0.212 255 L C 2.791 179.628 176.870 -0.055 0.000 1.105 255 L CA 1.400 56.212 54.840 -0.047 0.000 0.775 255 L CB -0.578 41.466 42.059 -0.025 0.000 0.913 255 L HN 0.435 nan 8.230 nan 0.000 0.440 256 A N -0.759 122.020 122.820 -0.069 0.000 2.208 256 A HA 0.141 4.462 4.320 0.001 0.000 0.209 256 A C 0.844 178.377 177.584 -0.085 0.000 1.161 256 A CA 0.293 52.288 52.037 -0.071 0.000 0.782 256 A CB -0.027 18.927 19.000 -0.075 0.000 0.816 256 A HN 0.137 nan 8.150 nan 0.000 0.477 257 V N 0.240 120.094 119.914 -0.100 0.000 2.326 257 V HA 0.199 4.319 4.120 0.001 0.000 0.281 257 V C 1.418 177.468 176.094 -0.073 0.000 1.015 257 V CA 0.167 62.407 62.300 -0.100 0.000 0.823 257 V CB 0.891 32.627 31.823 -0.145 0.000 1.009 257 V HN 0.429 nan 8.190 nan 0.000 0.436 258 S N 3.997 119.666 115.700 -0.051 0.000 2.392 258 S HA -0.219 4.252 4.470 0.001 0.000 0.232 258 S C 1.902 176.487 174.600 -0.025 0.000 1.041 258 S CA 2.022 60.202 58.200 -0.033 0.000 1.026 258 S CB -0.093 63.094 63.200 -0.023 0.000 0.845 258 S HN 0.721 nan 8.310 nan 0.000 0.465 259 R N 0.079 120.566 120.500 -0.022 0.000 2.299 259 R HA 0.200 4.540 4.340 0.001 0.000 0.197 259 R C 0.559 176.854 176.300 -0.010 0.000 0.971 259 R CA 0.145 56.245 56.100 -0.000 0.000 1.030 259 R CB -0.789 29.524 30.300 0.022 0.000 0.932 259 R HN 0.430 nan 8.270 nan 0.000 0.477 260 c N 1.334 119.903 118.600 -0.052 0.000 2.520 260 c HA 0.165 4.735 4.570 0.001 0.000 0.369 260 c C 1.806 175.834 174.090 -0.103 0.000 1.244 260 c CA -0.734 55.546 56.329 -0.082 0.000 1.677 260 c CB -1.364 41.066 42.510 -0.133 0.000 2.324 260 c HN 0.570 nan 8.230 nan 0.000 0.557 261 L N 5.396 126.570 121.223 -0.082 0.000 2.083 261 L HA 0.192 4.532 4.340 0.001 0.000 0.209 261 L C 1.594 178.158 176.870 -0.510 0.000 1.083 261 L CA 1.348 56.125 54.840 -0.104 0.000 0.752 261 L CB -0.721 41.409 42.059 0.119 0.000 0.899 261 L HN 0.924 nan 8.230 nan 0.000 0.433 262 G N -1.025 107.312 108.800 -0.771 0.000 2.321 262 G HA2 0.426 4.386 3.960 0.001 0.000 0.296 262 G HA3 0.426 4.386 3.960 0.001 0.000 0.296 262 G C -1.831 172.620 174.900 -0.749 0.000 1.287 262 G CA -0.733 43.613 45.100 -1.257 0.000 0.846 262 G HN -0.104 nan 8.290 nan 0.000 0.508 263 I N 0.396 120.591 120.570 -0.626 0.000 2.545 263 I HA 0.536 4.707 4.170 0.001 0.000 0.292 263 I C -0.522 175.327 176.117 -0.447 0.000 1.040 263 I CA -0.636 60.397 61.300 -0.444 0.000 1.068 263 I CB 2.708 40.378 38.000 -0.550 0.000 1.251 263 I HN 0.382 nan 8.210 nan 0.000 0.424 264 T N 5.225 119.667 114.554 -0.187 0.000 2.824 264 T HA 0.473 4.823 4.350 0.001 0.000 0.282 264 T C -0.414 174.265 174.700 -0.034 0.000 0.993 264 T CA -0.524 61.517 62.100 -0.099 0.000 0.967 264 T CB 1.760 70.652 68.868 0.040 0.000 0.960 264 T HN 0.359 nan 8.240 nan 0.000 0.441 265 V N 1.062 120.993 119.914 0.027 0.000 2.539 265 V HA 0.497 4.617 4.120 0.001 0.000 0.292 265 V C 0.173 176.390 176.094 0.206 0.000 1.045 265 V CA -1.151 61.278 62.300 0.215 0.000 0.945 265 V CB 1.430 33.486 31.823 0.388 0.000 0.993 265 V HN 1.007 nan 8.190 nan 0.000 0.464 266 W N 5.099 126.424 121.300 0.041 0.000 1.438 266 W HA 0.547 5.208 4.660 0.001 0.000 0.455 266 W C 0.535 177.101 176.519 0.079 0.000 0.656 266 W CA 0.744 58.093 57.345 0.006 0.000 2.049 266 W CB -0.002 29.479 29.460 0.035 0.000 1.683 266 W HN 1.214 nan 8.180 nan 0.000 0.228 267 G N 0.064 108.786 108.800 -0.130 0.000 2.351 267 G HA2 -0.050 3.911 3.960 0.001 0.000 0.353 267 G HA3 -0.050 3.911 3.960 0.001 0.000 0.353 267 G C -0.702 174.203 174.900 0.009 0.000 1.358 267 G CA -0.605 44.444 45.100 -0.085 0.000 0.995 267 G HN 0.038 nan 8.290 nan 0.000 0.611 268 V N 0.225 120.176 119.914 0.062 0.000 2.502 268 V HA 0.339 4.460 4.120 0.001 0.000 0.234 268 V C 1.498 177.741 176.094 0.248 0.000 1.072 268 V CA 1.371 63.732 62.300 0.101 0.000 1.094 268 V CB -0.413 31.308 31.823 -0.170 0.000 0.761 268 V HN 0.685 nan 8.190 nan 0.000 0.489 269 R N 0.568 121.192 120.500 0.206 0.000 2.643 269 R HA 0.300 4.641 4.340 0.001 0.000 0.272 269 R C 0.662 177.089 176.300 0.211 0.000 0.995 269 R CA -0.640 55.601 56.100 0.235 0.000 1.032 269 R CB 0.756 31.163 30.300 0.177 0.000 1.126 269 R HN 0.175 nan 8.270 nan 0.000 0.505 270 D N 0.640 121.155 120.400 0.191 0.000 2.149 270 D HA -0.151 4.490 4.640 0.001 0.000 0.198 270 D C 1.608 177.990 176.300 0.138 0.000 0.990 270 D CA 2.052 56.150 54.000 0.164 0.000 0.839 270 D CB -0.120 40.757 40.800 0.128 0.000 0.948 270 D HN 0.678 nan 8.370 nan 0.000 0.460 271 T N -1.700 112.925 114.554 0.119 0.000 3.051 271 T HA -0.079 4.272 4.350 0.001 0.000 0.269 271 T C 1.100 175.857 174.700 0.095 0.000 1.127 271 T CA 0.684 62.840 62.100 0.093 0.000 1.107 271 T CB 0.080 68.993 68.868 0.075 0.000 0.898 271 T HN -0.011 nan 8.240 nan 0.000 0.517 272 D N 1.190 121.664 120.400 0.123 0.000 2.350 272 D HA 0.136 4.777 4.640 0.001 0.000 0.213 272 D C 0.813 177.191 176.300 0.130 0.000 1.031 272 D CA 0.124 54.189 54.000 0.108 0.000 0.861 272 D CB 0.230 41.127 40.800 0.161 0.000 0.926 272 D HN 0.422 nan 8.370 nan 0.000 0.520 273 S N 1.210 117.020 115.700 0.183 0.000 2.564 273 S HA 0.028 4.498 4.470 0.001 0.000 0.278 273 S C 1.297 176.096 174.600 0.330 0.000 1.333 273 S CA -0.796 57.579 58.200 0.292 0.000 1.048 273 S CB 0.572 63.946 63.200 0.290 0.000 0.900 273 S HN 0.332 nan 8.310 nan 0.000 0.505 274 W N 5.153 126.536 121.300 0.139 0.000 2.699 274 W HA 0.148 4.809 4.660 0.001 0.000 0.249 274 W C 0.382 176.954 176.519 0.088 0.000 1.280 274 W CA 0.028 57.447 57.345 0.123 0.000 1.345 274 W CB -0.777 28.799 29.460 0.193 0.000 1.128 274 W HN 0.649 nan 8.180 nan 0.000 0.642 275 R N 1.307 121.693 120.500 -0.191 0.000 2.772 275 R HA 0.070 4.410 4.340 0.001 0.000 0.358 275 R C 1.803 178.065 176.300 -0.063 0.000 1.143 275 R CA 0.536 56.442 56.100 -0.324 0.000 1.153 275 R CB 0.317 30.255 30.300 -0.604 0.000 1.329 275 R HN 0.061 nan 8.270 nan 0.000 0.615 276 S N -0.690 115.022 115.700 0.021 0.000 2.392 276 S HA -0.189 4.282 4.470 0.001 0.000 0.232 276 S C 2.037 176.657 174.600 0.033 0.000 1.041 276 S CA 1.528 59.763 58.200 0.058 0.000 1.026 276 S CB -0.341 62.897 63.200 0.064 0.000 0.845 276 S HN 0.536 nan 8.310 nan 0.000 0.465 277 G N 1.414 110.213 108.800 -0.001 0.000 2.479 277 G HA2 -0.142 3.818 3.960 0.001 0.000 0.220 277 G HA3 -0.142 3.818 3.960 0.001 0.000 0.220 277 G C 0.908 175.812 174.900 0.006 0.000 1.115 277 G CA 0.953 46.052 45.100 -0.001 0.000 0.757 277 G HN 0.550 nan 8.290 nan 0.000 0.560 278 D N 0.553 120.953 120.400 0.001 0.000 2.340 278 D HA 0.056 4.696 4.640 0.001 0.000 0.217 278 D C 1.373 177.711 176.300 0.064 0.000 1.081 278 D CA 0.909 54.922 54.000 0.022 0.000 0.842 278 D CB -0.280 40.521 40.800 0.002 0.000 0.934 278 D HN 0.353 nan 8.370 nan 0.000 0.511 279 T N -0.085 114.513 114.554 0.073 0.000 3.213 279 T HA -0.157 4.193 4.350 0.001 0.000 0.427 279 T C -1.749 173.037 174.700 0.143 0.000 0.772 279 T CA 0.082 62.241 62.100 0.099 0.000 2.150 279 T CB -0.973 67.937 68.868 0.070 0.000 1.655 279 T HN 0.169 nan 8.240 nan 0.000 0.584 280 P HA 0.351 nan 4.420 nan 0.000 0.262 280 P C 0.613 178.152 177.300 0.398 0.000 1.304 280 P CA -0.323 62.940 63.100 0.271 0.000 0.859 280 P CB 0.422 32.270 31.700 0.247 0.000 1.310 281 L N -0.911 120.505 121.223 0.321 0.000 2.491 281 L HA 0.389 4.730 4.340 0.001 0.000 0.264 281 L C 1.959 178.917 176.870 0.148 0.000 1.053 281 L CA -1.071 53.964 54.840 0.324 0.000 0.858 281 L CB 0.473 42.721 42.059 0.316 0.000 1.519 281 L HN -0.274 nan 8.230 nan 0.000 0.508 282 L N -0.693 120.589 121.223 0.099 0.000 2.529 282 L HA 0.206 4.546 4.340 0.001 0.000 0.223 282 L C -0.527 176.133 176.870 -0.351 0.000 1.113 282 L CA 0.351 55.091 54.840 -0.166 0.000 0.861 282 L CB 0.129 42.084 42.059 -0.174 0.000 1.012 282 L HN 0.230 nan 8.230 nan 0.000 0.461 283 F N -0.622 119.375 119.950 0.077 0.000 2.551 283 F HA 0.370 4.898 4.527 0.001 0.000 0.316 283 F C 0.493 176.312 175.800 0.032 0.000 1.089 283 F CA -1.087 56.929 58.000 0.027 0.000 0.915 283 F CB 0.996 40.009 39.000 0.022 0.000 1.186 283 F HN -0.165 nan 8.300 nan 0.000 0.456 284 N N 0.612 119.405 118.700 0.155 0.000 2.381 284 N HA 0.115 4.855 4.740 0.001 0.000 0.254 284 N C 1.218 176.798 175.510 0.117 0.000 1.264 284 N CA 0.490 53.598 53.050 0.098 0.000 0.942 284 N CB 0.902 39.410 38.487 0.035 0.000 1.190 284 N HN 0.895 nan 8.380 nan 0.000 0.495 285 G N 0.104 108.955 108.800 0.085 0.000 2.450 285 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 285 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 285 G C 0.669 175.607 174.900 0.063 0.000 1.130 285 G CA 1.043 46.190 45.100 0.078 0.000 0.760 285 G HN 0.732 nan 8.290 nan 0.000 0.557 286 D N -1.123 119.306 120.400 0.049 0.000 2.349 286 D HA 0.272 4.913 4.640 0.001 0.000 0.224 286 D C 1.724 178.047 176.300 0.038 0.000 1.029 286 D CA 0.677 54.697 54.000 0.033 0.000 0.879 286 D CB -0.417 40.392 40.800 0.015 0.000 0.906 286 D HN 0.432 nan 8.370 nan 0.000 0.528 287 G N 0.055 108.897 108.800 0.070 0.000 2.176 287 G HA2 -0.304 3.657 3.960 0.001 0.000 0.253 287 G HA3 -0.304 3.657 3.960 0.001 0.000 0.253 287 G C 0.426 175.416 174.900 0.150 0.000 0.979 287 G CA 0.357 45.506 45.100 0.080 0.000 0.641 287 G HN 0.846 nan 8.290 nan 0.000 0.530 288 S N 0.043 115.800 115.700 0.094 0.000 2.565 288 S HA 0.584 5.054 4.470 0.001 0.000 0.276 288 S C 0.315 174.912 174.600 -0.005 0.000 1.326 288 S CA -0.234 57.986 58.200 0.033 0.000 1.045 288 S CB 1.511 64.692 63.200 -0.032 0.000 0.918 288 S HN 0.462 nan 8.310 nan 0.000 0.505 289 K N 2.104 122.408 120.400 -0.160 0.000 2.401 289 K HA 0.165 4.485 4.320 0.001 0.000 0.278 289 K C 0.169 176.602 176.600 -0.279 0.000 1.018 289 K CA 0.036 56.046 56.287 -0.462 0.000 0.981 289 K CB 0.465 32.597 32.500 -0.613 0.000 0.933 289 K HN 0.567 nan 8.250 nan 0.000 0.477 290 K N 0.901 121.131 120.400 -0.283 0.000 2.109 290 K HA 0.222 4.543 4.320 0.001 0.000 0.243 290 K C 1.141 177.689 176.600 -0.087 0.000 1.006 290 K CA -0.376 55.819 56.287 -0.153 0.000 0.917 290 K CB 1.086 33.508 32.500 -0.130 0.000 1.081 290 K HN 0.620 nan 8.250 nan 0.000 0.468 291 A N 1.278 124.075 122.820 -0.040 0.000 1.917 291 A HA -0.257 4.063 4.320 0.001 0.000 0.219 291 A C 2.151 179.759 177.584 0.041 0.000 1.182 291 A CA 2.458 54.525 52.037 0.049 0.000 0.633 291 A CB -1.011 18.032 19.000 0.073 0.000 0.819 291 A HN 0.804 nan 8.150 nan 0.000 0.448 292 A N -1.794 121.012 122.820 -0.024 0.000 2.019 292 A HA -0.072 4.248 4.320 0.001 0.000 0.219 292 A C 2.054 179.514 177.584 -0.207 0.000 1.164 292 A CA 1.599 53.586 52.037 -0.085 0.000 0.644 292 A CB -0.741 18.171 19.000 -0.147 0.000 0.805 292 A HN 0.792 nan 8.150 nan 0.000 0.449 293 Y N 1.174 121.271 120.300 -0.338 0.000 2.128 293 Y HA -0.219 4.332 4.550 0.001 0.000 0.284 293 Y C 2.551 178.291 175.900 -0.268 0.000 1.154 293 Y CA 2.470 60.328 58.100 -0.404 0.000 1.149 293 Y CB -0.749 37.372 38.460 -0.565 0.000 0.976 293 Y HN 0.279 nan 8.280 nan 0.000 0.505 294 T N 0.761 115.316 114.554 0.001 0.000 2.867 294 T HA -0.131 4.219 4.350 0.001 0.000 0.268 294 T C 2.063 176.696 174.700 -0.113 0.000 1.057 294 T CA 1.158 63.244 62.100 -0.023 0.000 1.136 294 T CB -0.659 68.247 68.868 0.063 0.000 0.874 294 T HN 0.517 nan 8.240 nan 0.000 0.466 295 A N 0.899 123.671 122.820 -0.080 0.000 1.898 295 A HA -0.025 4.296 4.320 0.001 0.000 0.216 295 A C 2.542 180.066 177.584 -0.100 0.000 1.181 295 A CA 1.216 53.225 52.037 -0.045 0.000 0.620 295 A CB -0.863 18.157 19.000 0.033 0.000 0.819 295 A HN 0.364 nan 8.150 nan 0.000 0.442 296 V N -0.361 119.435 119.914 -0.196 0.000 2.307 296 V HA -0.209 3.911 4.120 0.001 0.000 0.245 296 V C 2.470 178.391 176.094 -0.288 0.000 1.045 296 V CA 1.853 64.023 62.300 -0.217 0.000 1.024 296 V CB -0.818 30.803 31.823 -0.336 0.000 0.651 296 V HN 0.565 nan 8.190 nan 0.000 0.449 297 L N 0.948 121.902 121.223 -0.448 0.000 2.042 297 L HA -0.180 4.161 4.340 0.001 0.000 0.210 297 L C 2.209 178.967 176.870 -0.186 0.000 1.076 297 L CA 2.044 56.662 54.840 -0.371 0.000 0.749 297 L CB -0.942 40.869 42.059 -0.414 0.000 0.893 297 L HN 0.322 nan 8.230 nan 0.000 0.432 298 N N 0.042 118.656 118.700 -0.143 0.000 2.120 298 N HA -0.140 4.600 4.740 0.001 0.000 0.188 298 N C 1.840 177.311 175.510 -0.065 0.000 1.024 298 N CA 1.620 54.620 53.050 -0.083 0.000 0.852 298 N CB -0.622 37.826 38.487 -0.065 0.000 1.003 298 N HN 0.526 nan 8.380 nan 0.000 0.424 299 A N 1.253 124.034 122.820 -0.064 0.000 1.877 299 A HA -0.064 4.256 4.320 0.001 0.000 0.216 299 A C 2.354 179.919 177.584 -0.032 0.000 1.186 299 A CA 1.005 53.021 52.037 -0.035 0.000 0.620 299 A CB -0.866 18.125 19.000 -0.015 0.000 0.822 299 A HN 0.232 nan 8.150 nan 0.000 0.443 300 L N -0.221 120.974 121.223 -0.048 0.000 2.079 300 L HA -0.192 4.148 4.340 0.001 0.000 0.210 300 L C 1.793 178.643 176.870 -0.033 0.000 1.081 300 L CA 1.162 55.983 54.840 -0.031 0.000 0.752 300 L CB -0.547 41.477 42.059 -0.057 0.000 0.896 300 L HN 0.392 nan 8.230 nan 0.000 0.433 301 N N -0.623 118.048 118.700 -0.047 0.000 2.467 301 N HA -0.000 4.740 4.740 0.001 0.000 0.184 301 N C 1.384 176.877 175.510 -0.027 0.000 1.106 301 N CA 1.080 54.109 53.050 -0.036 0.000 0.892 301 N CB 1.066 39.528 38.487 -0.042 0.000 0.969 301 N HN 0.479 nan 8.380 nan 0.000 0.454 302 G N -1.030 107.754 108.800 -0.026 0.000 2.796 302 G HA2 -0.008 3.952 3.960 0.001 0.000 0.198 302 G HA3 -0.008 3.952 3.960 0.001 0.000 0.198 302 G C 0.456 175.343 174.900 -0.021 0.000 1.062 302 G CA 0.039 45.127 45.100 -0.021 0.000 0.752 302 G HN 0.755 nan 8.290 nan 0.000 0.487 303 G N -0.800 107.984 108.800 -0.026 0.000 2.384 303 G HA2 0.383 4.343 3.960 0.001 0.000 0.204 303 G HA3 0.383 4.343 3.960 0.001 0.000 0.204 303 G C -0.164 174.722 174.900 -0.024 0.000 1.237 303 G CA 0.394 45.479 45.100 -0.025 0.000 1.060 303 G HN 1.565 nan 8.290 nan 0.000 0.514 304 S N -0.382 115.305 115.700 -0.022 0.000 2.632 304 S HA 0.573 5.043 4.470 0.001 0.000 0.271 304 S C 1.526 176.117 174.600 -0.015 0.000 1.260 304 S CA 0.236 58.423 58.200 -0.021 0.000 1.010 304 S CB 1.626 64.812 63.200 -0.023 0.000 0.965 304 S HN 0.948 nan 8.310 nan 0.000 0.534 305 S N 1.221 116.912 115.700 -0.014 0.000 2.383 305 S HA -0.056 4.414 4.470 0.001 0.000 0.229 305 S C 1.113 175.708 174.600 -0.009 0.000 1.030 305 S CA 1.335 59.528 58.200 -0.011 0.000 1.002 305 S CB -0.206 62.987 63.200 -0.011 0.000 0.829 305 S HN 0.943 nan 8.310 nan 0.000 0.467 306 T N -0.733 113.816 114.554 -0.008 0.000 2.900 306 T HA 0.522 4.872 4.350 0.001 0.000 0.295 306 T C -3.440 171.258 174.700 -0.003 0.000 1.044 306 T CA -2.479 59.619 62.100 -0.004 0.000 0.995 306 T CB 1.554 70.421 68.868 -0.002 0.000 1.072 306 T HN -0.287 nan 8.240 nan 0.000 0.473 307 P HA 0.213 nan 4.420 nan 0.000 0.256 307 P C -2.263 175.040 177.300 0.005 0.000 1.189 307 P CA -0.429 62.673 63.100 0.003 0.000 0.808 307 P CB -0.739 30.965 31.700 0.005 0.000 0.793 308 P HA 0.032 nan 4.420 nan 0.000 0.264 308 P C -2.221 175.091 177.300 0.019 0.000 1.179 308 P CA -0.569 62.534 63.100 0.005 0.000 0.763 308 P CB -0.672 31.028 31.700 0.000 0.000 0.806 309 P HA 0.010 nan 4.420 nan 0.000 0.260 309 P C -0.034 177.295 177.300 0.050 0.000 1.207 309 P CA 0.345 63.466 63.100 0.034 0.000 0.780 309 P CB 0.182 31.905 31.700 0.037 0.000 0.789 310 S N 4.318 120.043 115.700 0.043 0.000 3.900 310 S HA 0.399 4.870 4.470 0.001 0.000 0.248 310 S C 0.594 175.223 174.600 0.048 0.000 1.310 310 S CA 0.352 58.580 58.200 0.048 0.000 0.915 310 S CB -1.829 61.393 63.200 0.036 0.000 1.588 310 S HN 0.832 nan 8.310 nan 0.000 0.472 311 G N 2.226 111.065 108.800 0.065 0.000 3.391 311 G HA2 0.322 4.283 3.960 0.001 0.000 0.675 311 G HA3 0.322 4.283 3.960 0.001 0.000 0.675 311 G C 0.381 175.305 174.900 0.040 0.000 0.899 311 G CA -0.328 44.805 45.100 0.056 0.000 0.755 311 G HN 1.872 nan 8.290 nan 0.000 0.475 312 G N 0.079 108.904 108.800 0.042 0.000 3.292 312 G HA2 0.618 4.579 3.960 0.001 0.000 0.636 312 G HA3 0.618 4.579 3.960 0.001 0.000 0.636 312 G C 0.992 175.908 174.900 0.027 0.000 1.069 312 G CA 0.775 45.884 45.100 0.015 0.000 0.890 312 G HN 2.935 nan 8.290 nan 0.000 0.427 313 G N 0.933 109.757 108.800 0.041 0.000 2.489 313 G HA2 0.698 4.658 3.960 0.001 0.000 0.291 313 G HA3 0.698 4.658 3.960 0.001 0.000 0.291 313 G C -0.601 174.358 174.900 0.098 0.000 1.487 313 G CA -0.564 44.567 45.100 0.053 0.000 0.795 313 G HN 0.744 nan 8.290 nan 0.000 0.513 314 Q N -0.796 119.055 119.800 0.086 0.000 2.312 314 Q HA 0.617 4.957 4.340 0.001 0.000 0.236 314 Q C -0.402 175.666 176.000 0.114 0.000 0.965 314 Q CA -0.211 55.669 55.803 0.128 0.000 0.894 314 Q CB 2.065 30.854 28.738 0.086 0.000 1.225 314 Q HN 0.421 nan 8.270 nan 0.000 0.478 315 I N 1.751 122.387 120.570 0.110 0.000 2.448 315 I HA 0.277 4.447 4.170 0.001 0.000 0.281 315 I C -0.598 175.615 176.117 0.159 0.000 1.027 315 I CA -0.481 60.839 61.300 0.033 0.000 1.111 315 I CB 1.367 39.218 38.000 -0.250 0.000 1.236 315 I HN 0.371 nan 8.210 nan 0.000 0.452 316 K N 4.821 125.342 120.400 0.203 0.000 2.185 316 K HA 0.566 4.887 4.320 0.001 0.000 0.269 316 K C 0.242 176.979 176.600 0.228 0.000 0.987 316 K CA -0.455 55.958 56.287 0.209 0.000 0.865 316 K CB 1.549 34.112 32.500 0.105 0.000 1.090 316 K HN 0.711 nan 8.250 nan 0.000 0.450 317 G N 2.392 111.274 108.800 0.136 0.000 2.378 317 G HA2 0.103 4.064 3.960 0.001 0.000 0.255 317 G HA3 0.103 4.064 3.960 0.001 0.000 0.255 317 G C 0.943 175.683 174.900 -0.266 0.000 1.270 317 G CA -0.675 44.211 45.100 -0.357 0.000 0.876 317 G HN 0.516 nan 8.290 nan 0.000 0.521 318 V N 3.703 123.414 119.914 -0.338 0.000 2.295 318 V HA -0.143 3.978 4.120 0.001 0.000 0.246 318 V C 3.012 178.993 176.094 -0.189 0.000 1.049 318 V CA 2.556 64.730 62.300 -0.210 0.000 1.024 318 V CB -0.987 30.713 31.823 -0.205 0.000 0.648 318 V HN 0.794 nan 8.190 nan 0.000 0.447 319 G N -0.120 108.535 108.800 -0.242 0.000 2.422 319 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 319 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 319 G C 1.819 176.634 174.900 -0.142 0.000 1.146 319 G CA 1.389 46.381 45.100 -0.181 0.000 0.769 319 G HN 0.652 nan 8.290 nan 0.000 0.547 320 S N -1.039 114.569 115.700 -0.154 0.000 2.470 320 S HA 0.351 4.822 4.470 0.001 0.000 0.222 320 S C 1.997 176.556 174.600 -0.070 0.000 1.024 320 S CA 1.105 59.245 58.200 -0.100 0.000 0.931 320 S CB 0.008 63.156 63.200 -0.087 0.000 0.791 320 S HN 1.539 nan 8.310 nan 0.000 0.513 321 G N 1.466 110.225 108.800 -0.069 0.000 2.162 321 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 321 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 321 G C 0.116 175.015 174.900 -0.001 0.000 0.976 321 G CA 0.312 45.392 45.100 -0.034 0.000 0.655 321 G HN 0.613 nan 8.290 nan 0.000 0.533 322 R N -1.130 119.377 120.500 0.011 0.000 2.720 322 R HA 0.651 4.991 4.340 0.001 0.000 0.272 322 R C 0.019 176.399 176.300 0.134 0.000 0.991 322 R CA -0.419 55.717 56.100 0.060 0.000 1.010 322 R CB 1.301 31.623 30.300 0.037 0.000 1.141 322 R HN 0.202 nan 8.270 nan 0.000 0.494 323 c N 1.501 120.205 118.600 0.173 0.000 2.351 323 c HA 0.301 4.872 4.570 0.001 0.000 0.359 323 c C -0.007 174.219 174.090 0.227 0.000 1.193 323 c CA -0.701 55.750 56.329 0.204 0.000 2.270 323 c CB 0.576 43.191 42.510 0.174 0.000 2.369 323 c HN 0.574 nan 8.230 nan 0.000 0.553 324 L N 3.751 125.076 121.223 0.171 0.000 2.500 324 L HA 0.265 4.605 4.340 0.001 0.000 0.272 324 L C 0.033 177.091 176.870 0.313 0.000 1.149 324 L CA 1.136 56.019 54.840 0.071 0.000 0.897 324 L CB -0.349 41.466 42.059 -0.407 0.000 1.178 324 L HN 0.665 nan 8.230 nan 0.000 0.473 325 D N 3.913 124.475 120.400 0.270 0.000 2.780 325 D HA 0.245 4.886 4.640 0.001 0.000 0.242 325 D C -1.339 175.090 176.300 0.215 0.000 1.135 325 D CA -0.447 53.703 54.000 0.249 0.000 0.859 325 D CB 2.402 43.341 40.800 0.230 0.000 1.530 325 D HN 0.225 nan 8.370 nan 0.000 0.493 326 V N 4.840 124.846 119.914 0.153 0.000 2.368 326 V HA 0.248 4.369 4.120 0.001 0.000 0.266 326 V C -2.032 174.120 176.094 0.096 0.000 1.045 326 V CA -1.541 60.843 62.300 0.140 0.000 0.899 326 V CB 0.988 32.868 31.823 0.095 0.000 1.006 326 V HN 0.482 nan 8.190 nan 0.000 0.470 327 P HA -0.063 nan 4.420 nan 0.000 0.257 327 P C 0.501 177.813 177.300 0.020 0.000 1.153 327 P CA 0.703 63.821 63.100 0.029 0.000 0.762 327 P CB 0.007 31.737 31.700 0.050 0.000 0.743 328 N N 2.946 121.629 118.700 -0.029 0.000 2.693 328 N HA -0.292 4.448 4.740 0.001 0.000 0.249 328 N C 0.482 175.999 175.510 0.011 0.000 1.119 328 N CA 1.333 54.371 53.050 -0.021 0.000 0.717 328 N CB -1.634 36.843 38.487 -0.016 0.000 1.071 328 N HN 0.708 nan 8.380 nan 0.000 0.555 329 A N -1.529 121.325 122.820 0.057 0.000 2.826 329 A HA -0.277 4.043 4.320 0.001 0.000 0.274 329 A C 0.808 178.414 177.584 0.037 0.000 1.443 329 A CA 1.536 53.643 52.037 0.115 0.000 0.833 329 A CB -1.910 17.120 19.000 0.051 0.000 1.023 329 A HN 0.944 nan 8.150 nan 0.000 0.600 330 S N -0.478 115.259 115.700 0.061 0.000 2.568 330 S HA 0.423 4.893 4.470 0.001 0.000 0.282 330 S C 1.373 175.974 174.600 0.002 0.000 1.338 330 S CA 0.948 59.154 58.200 0.011 0.000 1.045 330 S CB 0.493 63.721 63.200 0.047 0.000 0.873 330 S HN 1.563 nan 8.310 nan 0.000 0.516 331 T N 0.352 114.849 114.554 -0.095 0.000 3.145 331 T HA 0.248 4.599 4.350 0.001 0.000 0.281 331 T C 0.126 174.821 174.700 -0.009 0.000 1.003 331 T CA -0.430 61.604 62.100 -0.109 0.000 0.901 331 T CB -0.231 68.463 68.868 -0.291 0.000 1.112 331 T HN 0.490 nan 8.240 nan 0.000 0.535 332 T N 3.733 118.299 114.554 0.021 0.000 2.779 332 T HA 0.259 4.609 4.350 0.001 0.000 0.296 332 T C -0.230 174.516 174.700 0.077 0.000 0.938 332 T CA -0.366 61.753 62.100 0.033 0.000 1.119 332 T CB 0.443 69.330 68.868 0.033 0.000 0.891 332 T HN 0.252 nan 8.240 nan 0.000 0.526 333 D N 2.087 122.525 120.400 0.064 0.000 2.506 333 D HA 0.342 4.982 4.640 0.001 0.000 0.234 333 D C 1.454 177.865 176.300 0.184 0.000 1.143 333 D CA 1.502 55.578 54.000 0.127 0.000 0.871 333 D CB 0.344 41.162 40.800 0.030 0.000 1.190 333 D HN 0.838 nan 8.370 nan 0.000 0.459 334 G N 1.477 110.425 108.800 0.246 0.000 2.175 334 G HA2 -0.267 3.693 3.960 0.001 0.000 0.244 334 G HA3 -0.267 3.693 3.960 0.001 0.000 0.244 334 G C 0.506 175.492 174.900 0.144 0.000 0.982 334 G CA 0.230 45.443 45.100 0.189 0.000 0.641 334 G HN 0.588 nan 8.290 nan 0.000 0.527 335 T N 1.637 116.279 114.554 0.146 0.000 2.752 335 T HA 0.422 4.772 4.350 0.001 0.000 0.295 335 T C 0.425 175.205 174.700 0.134 0.000 0.923 335 T CA 0.319 62.494 62.100 0.125 0.000 1.112 335 T CB 1.414 70.357 68.868 0.125 0.000 0.884 335 T HN 0.530 nan 8.240 nan 0.000 0.525 336 Q N 3.436 123.303 119.800 0.112 0.000 2.332 336 Q HA 0.353 4.693 4.340 0.001 0.000 0.263 336 Q C 0.226 176.291 176.000 0.107 0.000 0.979 336 Q CA -0.755 55.111 55.803 0.105 0.000 0.885 336 Q CB 0.650 29.442 28.738 0.090 0.000 1.218 336 Q HN 0.643 nan 8.270 nan 0.000 0.405 337 V N 1.594 121.567 119.914 0.099 0.000 3.133 337 V HA 0.408 4.528 4.120 0.001 0.000 0.305 337 V C -0.398 175.752 176.094 0.092 0.000 1.084 337 V CA -0.285 62.077 62.300 0.104 0.000 1.089 337 V CB 1.152 33.015 31.823 0.067 0.000 1.073 337 V HN 1.015 nan 8.190 nan 0.000 0.477 338 Q N 1.812 121.684 119.800 0.120 0.000 2.687 338 Q HA 0.699 5.040 4.340 0.001 0.000 0.305 338 Q C -1.528 174.582 176.000 0.182 0.000 1.006 338 Q CA -1.144 54.745 55.803 0.143 0.000 0.763 338 Q CB 2.202 31.037 28.738 0.162 0.000 1.506 338 Q HN 0.683 nan 8.270 nan 0.000 0.459 339 L N 0.941 122.284 121.223 0.199 0.000 2.325 339 L HA 0.662 5.002 4.340 0.001 0.000 0.279 339 L C -1.264 175.775 176.870 0.282 0.000 1.054 339 L CA -0.828 54.141 54.840 0.215 0.000 0.804 339 L CB 1.056 43.205 42.059 0.150 0.000 1.200 339 L HN 0.658 nan 8.230 nan 0.000 0.436 340 Y N 0.474 120.848 120.300 0.123 0.000 2.604 340 Y HA 0.160 4.711 4.550 0.001 0.000 0.331 340 Y C -0.757 175.227 175.900 0.140 0.000 1.158 340 Y CA -1.171 57.005 58.100 0.125 0.000 1.056 340 Y CB 1.578 40.132 38.460 0.156 0.000 1.330 340 Y HN 0.555 nan 8.280 nan 0.000 0.457 341 D N 2.738 123.033 120.400 -0.176 0.000 2.658 341 D HA -0.033 4.608 4.640 0.001 0.000 0.230 341 D C -0.131 176.351 176.300 0.304 0.000 1.118 341 D CA 0.826 54.834 54.000 0.012 0.000 0.848 341 D CB 0.348 41.087 40.800 -0.102 0.000 1.160 341 D HN 0.460 nan 8.370 nan 0.000 0.497 342 c N 4.767 123.496 118.600 0.216 0.000 2.653 342 c HA 0.237 4.808 4.570 0.001 0.000 0.421 342 c C 0.644 174.913 174.090 0.299 0.000 1.334 342 c CA -0.167 56.298 56.329 0.228 0.000 1.885 342 c CB -0.890 41.696 42.510 0.128 0.000 2.645 342 c HN 0.708 nan 8.230 nan 0.000 0.601 343 H N -0.606 118.524 119.070 0.100 0.000 3.037 343 H HA 0.325 4.881 4.556 0.001 0.000 0.336 343 H C -0.847 174.515 175.328 0.057 0.000 1.323 343 H CA -0.567 55.527 56.048 0.076 0.000 1.159 343 H CB 0.747 30.562 29.762 0.088 0.000 1.882 343 H HN 0.521 nan 8.280 nan 0.000 0.535 344 S N 1.246 116.985 115.700 0.065 0.000 2.686 344 S HA 0.605 5.075 4.470 0.001 0.000 0.324 344 S C 0.085 174.670 174.600 -0.026 0.000 1.172 344 S CA -0.003 58.193 58.200 -0.008 0.000 1.127 344 S CB -0.990 62.230 63.200 0.033 0.000 1.338 344 S HN 0.914 nan 8.310 nan 0.000 0.547 345 A N 2.949 125.676 122.820 -0.154 0.000 2.549 345 A HA 0.696 5.016 4.320 0.001 0.000 0.297 345 A C 0.968 178.469 177.584 -0.138 0.000 1.061 345 A CA -0.362 51.611 52.037 -0.106 0.000 0.690 345 A CB 0.613 19.545 19.000 -0.114 0.000 1.287 345 A HN 0.835 nan 8.150 nan 0.000 0.402 346 T N -0.488 114.025 114.554 -0.069 0.000 2.803 346 T HA -0.171 4.179 4.350 0.001 0.000 0.269 346 T C 1.081 175.635 174.700 -0.243 0.000 1.052 346 T CA 1.678 63.721 62.100 -0.096 0.000 1.136 346 T CB -0.586 68.313 68.868 0.050 0.000 0.864 346 T HN 0.818 nan 8.240 nan 0.000 0.467 347 N N 1.151 119.770 118.700 -0.135 0.000 2.567 347 N HA -0.058 4.683 4.740 0.001 0.000 0.195 347 N C 1.114 176.422 175.510 -0.338 0.000 1.242 347 N CA 0.333 53.235 53.050 -0.246 0.000 0.884 347 N CB -0.203 38.298 38.487 0.022 0.000 1.007 347 N HN 0.610 nan 8.380 nan 0.000 0.450 348 Q N -0.956 118.628 119.800 -0.361 0.000 2.081 348 Q HA 0.179 4.519 4.340 0.001 0.000 0.220 348 Q C -0.591 175.255 176.000 -0.257 0.000 0.775 348 Q CA -0.215 55.461 55.803 -0.211 0.000 0.983 348 Q CB 0.830 29.470 28.738 -0.163 0.000 1.188 348 Q HN 0.233 nan 8.270 nan 0.000 0.458 349 Q N 0.187 119.712 119.800 -0.458 0.000 2.390 349 Q HA 0.167 4.507 4.340 0.001 0.000 0.249 349 Q C -1.317 174.387 176.000 -0.493 0.000 0.996 349 Q CA 0.224 55.836 55.803 -0.318 0.000 0.899 349 Q CB 0.365 28.971 28.738 -0.220 0.000 1.216 349 Q HN 0.119 nan 8.270 nan 0.000 0.465 350 W N 1.355 122.583 121.300 -0.121 0.000 2.520 350 W HA 0.372 5.032 4.660 0.001 0.000 0.323 350 W C 0.136 176.620 176.519 -0.059 0.000 1.062 350 W CA -0.514 56.760 57.345 -0.119 0.000 1.215 350 W CB 1.514 30.883 29.460 -0.152 0.000 1.340 350 W HN 0.171 nan 8.180 nan 0.000 0.516 351 T N 3.055 117.713 114.554 0.173 0.000 2.770 351 T HA 0.145 4.495 4.350 0.001 0.000 0.283 351 T C -1.376 173.435 174.700 0.184 0.000 0.988 351 T CA -0.487 61.695 62.100 0.135 0.000 0.957 351 T CB 0.282 69.185 68.868 0.057 0.000 0.930 351 T HN 0.169 nan 8.240 nan 0.000 0.443 352 Y N 4.558 124.892 120.300 0.057 0.000 2.436 352 Y HA 0.363 4.913 4.550 0.001 0.000 0.343 352 Y C 1.004 176.932 175.900 0.048 0.000 1.008 352 Y CA -0.838 57.292 58.100 0.050 0.000 1.241 352 Y CB 0.100 38.577 38.460 0.028 0.000 1.153 352 Y HN 0.703 nan 8.280 nan 0.000 0.521 353 T N 1.133 115.491 114.554 -0.325 0.000 2.874 353 T HA 0.141 4.492 4.350 0.001 0.000 0.281 353 T C 0.860 175.328 174.700 -0.386 0.000 0.994 353 T CA -0.654 61.296 62.100 -0.250 0.000 1.015 353 T CB 0.975 69.754 68.868 -0.147 0.000 1.028 353 T HN 0.598 nan 8.240 nan 0.000 0.523 354 D N 1.159 121.451 120.400 -0.181 0.000 2.221 354 D HA -0.077 4.564 4.640 0.001 0.000 0.204 354 D C 2.023 178.234 176.300 -0.148 0.000 0.982 354 D CA 1.477 55.402 54.000 -0.126 0.000 0.857 354 D CB -0.496 40.276 40.800 -0.046 0.000 0.934 354 D HN 0.780 nan 8.370 nan 0.000 0.475 355 A N -0.281 122.440 122.820 -0.165 0.000 2.238 355 A HA 0.380 4.701 4.320 0.001 0.000 0.208 355 A C 1.801 179.271 177.584 -0.189 0.000 1.177 355 A CA 1.097 53.055 52.037 -0.132 0.000 0.804 355 A CB -0.121 18.819 19.000 -0.099 0.000 0.823 355 A HN 0.266 nan 8.150 nan 0.000 0.482 356 G N -0.726 107.842 108.800 -0.388 0.000 2.157 356 G HA2 -0.204 3.756 3.960 0.001 0.000 0.239 356 G HA3 -0.204 3.756 3.960 0.001 0.000 0.239 356 G C -0.147 174.668 174.900 -0.141 0.000 0.982 356 G CA 0.230 45.102 45.100 -0.381 0.000 0.650 356 G HN 0.622 nan 8.290 nan 0.000 0.527 357 E N -0.594 119.513 120.200 -0.154 0.000 2.318 357 E HA 0.636 4.987 4.350 0.001 0.000 0.265 357 E C 0.014 176.701 176.600 0.145 0.000 1.069 357 E CA -0.556 55.898 56.400 0.089 0.000 0.893 357 E CB 1.321 31.042 29.700 0.035 0.000 1.076 357 E HN 0.202 nan 8.360 nan 0.000 0.414 358 L N 2.673 124.045 121.223 0.248 0.000 2.337 358 L HA 0.341 4.681 4.340 0.001 0.000 0.269 358 L C -0.127 176.936 176.870 0.323 0.000 1.018 358 L CA -0.324 54.643 54.840 0.213 0.000 0.876 358 L CB 0.634 42.634 42.059 -0.099 0.000 1.236 358 L HN 0.281 nan 8.230 nan 0.000 0.436 359 R N 2.009 122.651 120.500 0.236 0.000 2.457 359 R HA 0.663 5.003 4.340 0.001 0.000 0.284 359 R C -0.900 175.368 176.300 -0.053 0.000 1.024 359 R CA -0.595 55.581 56.100 0.128 0.000 1.025 359 R CB 2.704 33.037 30.300 0.056 0.000 1.063 359 R HN 0.261 nan 8.270 nan 0.000 0.493 360 V N 3.734 123.479 119.914 -0.281 0.000 2.841 360 V HA 0.229 4.349 4.120 0.001 0.000 0.310 360 V C -0.968 174.843 176.094 -0.472 0.000 1.090 360 V CA -0.357 61.490 62.300 -0.755 0.000 0.930 360 V CB 1.254 32.126 31.823 -1.584 0.000 1.014 360 V HN 0.927 nan 8.190 nan 0.000 0.425 361 Y N 4.049 124.205 120.300 -0.240 0.000 4.929 361 Y HA -0.233 4.317 4.550 0.001 0.000 0.253 361 Y C 1.676 177.520 175.900 -0.093 0.000 0.946 361 Y CA 1.671 59.681 58.100 -0.149 0.000 1.905 361 Y CB -1.962 36.422 38.460 -0.127 0.000 1.400 361 Y HN 1.735 nan 8.280 nan 0.000 0.531 362 G N -0.679 108.137 108.800 0.027 0.000 2.490 362 G HA2 -0.322 3.639 3.960 0.001 0.000 0.214 362 G HA3 -0.322 3.639 3.960 0.001 0.000 0.214 362 G C 0.433 175.357 174.900 0.039 0.000 1.151 362 G CA 0.473 45.589 45.100 0.027 0.000 0.684 362 G HN 0.465 nan 8.290 nan 0.000 0.518 363 D N 0.486 120.925 120.400 0.064 0.000 2.599 363 D HA 0.451 5.091 4.640 0.001 0.000 0.249 363 D C 0.230 176.583 176.300 0.089 0.000 1.313 363 D CA -0.043 53.996 54.000 0.065 0.000 0.815 363 D CB 0.269 41.098 40.800 0.048 0.000 1.077 363 D HN 0.207 nan 8.370 nan 0.000 0.492 364 K N -0.255 120.209 120.400 0.106 0.000 2.207 364 K HA 0.581 4.901 4.320 0.001 0.000 0.255 364 K C -1.264 175.425 176.600 0.147 0.000 0.941 364 K CA -0.513 55.857 56.287 0.139 0.000 0.825 364 K CB 1.576 34.197 32.500 0.203 0.000 1.119 364 K HN -0.039 nan 8.250 nan 0.000 0.430 365 c N 2.953 121.687 118.600 0.223 0.000 2.507 365 c HA 0.450 5.020 4.570 0.001 0.000 0.319 365 c C -0.656 173.639 174.090 0.341 0.000 1.208 365 c CA -1.140 55.353 56.329 0.273 0.000 1.619 365 c CB 0.909 43.568 42.510 0.248 0.000 2.230 365 c HN 0.781 nan 8.230 nan 0.000 0.492 366 L N 4.100 125.529 121.223 0.343 0.000 2.513 366 L HA 0.258 4.599 4.340 0.001 0.000 0.272 366 L C 0.064 177.183 176.870 0.415 0.000 1.187 366 L CA 1.438 56.397 54.840 0.198 0.000 0.895 366 L CB -0.066 41.799 42.059 -0.324 0.000 1.147 366 L HN 0.673 nan 8.230 nan 0.000 0.483 367 D N 4.133 124.753 120.400 0.366 0.000 2.738 367 D HA 0.603 5.243 4.640 0.001 0.000 0.237 367 D C -1.541 174.944 176.300 0.308 0.000 1.123 367 D CA -0.466 53.752 54.000 0.364 0.000 0.856 367 D CB 2.226 43.216 40.800 0.317 0.000 1.552 367 D HN 0.665 nan 8.370 nan 0.000 0.480 368 A N 1.984 124.946 122.820 0.238 0.000 2.303 368 A HA 0.642 4.962 4.320 0.001 0.000 0.320 368 A C 0.650 178.273 177.584 0.064 0.000 1.192 368 A CA 0.030 52.166 52.037 0.165 0.000 0.821 368 A CB 1.512 20.590 19.000 0.130 0.000 1.188 368 A HN 0.598 nan 8.150 nan 0.000 0.492 369 A N 2.764 125.616 122.820 0.053 0.000 1.855 369 A HA 0.399 4.720 4.320 0.001 0.000 0.215 369 A C 1.368 178.954 177.584 0.004 0.000 1.191 369 A CA 1.932 53.977 52.037 0.012 0.000 0.613 369 A CB -0.694 18.319 19.000 0.022 0.000 0.829 369 A HN 1.409 nan 8.150 nan 0.000 0.442 370 G N -2.748 106.059 108.800 0.013 0.000 3.119 370 G HA2 0.419 4.379 3.960 0.001 0.000 0.206 370 G HA3 0.419 4.379 3.960 0.001 0.000 0.206 370 G C 0.536 175.431 174.900 -0.008 0.000 1.313 370 G CA 0.866 45.966 45.100 0.001 0.000 1.010 370 G HN 0.566 nan 8.290 nan 0.000 0.578 371 T N -3.124 111.420 114.554 -0.017 0.000 3.043 371 T HA 0.418 4.768 4.350 0.001 0.000 0.272 371 T C 0.962 175.641 174.700 -0.035 0.000 0.990 371 T CA 0.671 62.753 62.100 -0.030 0.000 0.897 371 T CB 0.520 69.366 68.868 -0.037 0.000 1.111 371 T HN 0.810 nan 8.240 nan 0.000 0.529 372 G N 1.247 110.028 108.800 -0.031 0.000 2.488 372 G HA2 0.510 4.471 3.960 0.001 0.000 0.318 372 G HA3 0.510 4.471 3.960 0.001 0.000 0.318 372 G C -0.487 174.373 174.900 -0.067 0.000 1.188 372 G CA -0.826 44.242 45.100 -0.055 0.000 0.944 372 G HN 0.199 nan 8.290 nan 0.000 0.495 373 N N -0.370 118.241 118.700 -0.149 0.000 2.407 373 N HA 0.268 5.009 4.740 0.001 0.000 0.250 373 N C 1.325 176.821 175.510 -0.023 0.000 1.236 373 N CA 1.431 54.346 53.050 -0.225 0.000 0.879 373 N CB 1.149 39.276 38.487 -0.600 0.000 1.088 373 N HN 1.129 nan 8.380 nan 0.000 0.450 374 G N 0.663 109.530 108.800 0.112 0.000 2.195 374 G HA2 -0.290 3.670 3.960 0.001 0.000 0.246 374 G HA3 -0.290 3.670 3.960 0.001 0.000 0.246 374 G C 0.221 175.178 174.900 0.095 0.000 0.984 374 G CA 0.370 45.551 45.100 0.135 0.000 0.633 374 G HN 0.629 nan 8.290 nan 0.000 0.525 375 T N 2.498 117.097 114.554 0.075 0.000 2.908 375 T HA 0.344 4.694 4.350 0.001 0.000 0.301 375 T C 0.772 175.527 174.700 0.091 0.000 1.019 375 T CA 0.491 62.632 62.100 0.069 0.000 1.152 375 T CB 0.658 69.560 68.868 0.056 0.000 0.966 375 T HN 0.408 nan 8.240 nan 0.000 0.540 376 K N 2.176 122.626 120.400 0.083 0.000 2.326 376 K HA 0.332 4.652 4.320 0.001 0.000 0.275 376 K C -0.443 176.219 176.600 0.104 0.000 1.018 376 K CA -0.483 55.857 56.287 0.089 0.000 0.962 376 K CB 0.731 33.279 32.500 0.080 0.000 0.953 376 K HN 0.271 nan 8.250 nan 0.000 0.475 377 V N 4.299 124.271 119.914 0.096 0.000 2.398 377 V HA 0.169 4.290 4.120 0.001 0.000 0.286 377 V C 0.191 176.334 176.094 0.082 0.000 1.026 377 V CA -0.340 62.017 62.300 0.094 0.000 0.868 377 V CB 0.962 32.793 31.823 0.012 0.000 0.982 377 V HN 0.870 nan 8.190 nan 0.000 0.443 378 Q N 5.558 125.433 119.800 0.124 0.000 3.019 378 Q HA 0.709 5.050 4.340 0.001 0.000 0.337 378 Q C -1.037 175.090 176.000 0.212 0.000 0.900 378 Q CA -0.985 54.910 55.803 0.153 0.000 0.800 378 Q CB 2.562 31.397 28.738 0.161 0.000 1.437 378 Q HN 0.653 nan 8.270 nan 0.000 0.505 379 I N -1.920 118.799 120.570 0.248 0.000 2.562 379 I HA 0.788 4.959 4.170 0.001 0.000 0.301 379 I C -1.417 174.911 176.117 0.352 0.000 1.003 379 I CA -1.015 60.461 61.300 0.294 0.000 1.127 379 I CB 1.776 39.935 38.000 0.265 0.000 1.304 379 I HN 0.725 nan 8.210 nan 0.000 0.446 380 Y N 2.342 122.761 120.300 0.198 0.000 2.592 380 Y HA 0.403 4.953 4.550 0.001 0.000 0.334 380 Y C -0.484 175.539 175.900 0.206 0.000 1.136 380 Y CA -0.709 57.505 58.100 0.189 0.000 1.042 380 Y CB 2.062 40.651 38.460 0.215 0.000 1.325 380 Y HN 0.796 nan 8.280 nan 0.000 0.457 381 S N 2.222 117.735 115.700 -0.312 0.000 2.573 381 S HA 0.019 4.490 4.470 0.001 0.000 0.297 381 S C -0.416 174.319 174.600 0.224 0.000 1.280 381 S CA -0.048 58.089 58.200 -0.106 0.000 1.061 381 S CB -0.306 62.729 63.200 -0.275 0.000 0.812 381 S HN 0.626 nan 8.310 nan 0.000 0.500 382 c N 5.358 124.086 118.600 0.212 0.000 2.629 382 c HA 0.264 4.835 4.570 0.001 0.000 0.410 382 c C 1.447 175.735 174.090 0.331 0.000 1.339 382 c CA -0.488 55.990 56.329 0.248 0.000 1.810 382 c CB -1.026 41.569 42.510 0.141 0.000 2.549 382 c HN 1.091 nan 8.230 nan 0.000 0.589 383 W N 1.001 122.368 121.300 0.113 0.000 1.857 383 W HA 0.341 5.002 4.660 0.001 0.000 0.244 383 W C 0.717 177.275 176.519 0.066 0.000 0.859 383 W CA 0.237 57.635 57.345 0.088 0.000 1.112 383 W CB -0.828 28.701 29.460 0.115 0.000 0.967 383 W HN 0.927 nan 8.180 nan 0.000 0.524 384 G N 1.744 110.267 108.800 -0.461 0.000 2.132 384 G HA2 -0.120 3.841 3.960 0.001 0.000 0.228 384 G HA3 -0.120 3.841 3.960 0.001 0.000 0.228 384 G C 0.531 174.914 174.900 -0.862 0.000 1.000 384 G CA -0.032 44.769 45.100 -0.497 0.000 0.693 384 G HN 0.671 nan 8.290 nan 0.000 0.515 385 G N -0.706 107.023 108.800 -1.785 0.000 2.606 385 G HA2 0.438 4.398 3.960 0.001 0.000 0.252 385 G HA3 0.438 4.398 3.960 0.001 0.000 0.252 385 G C 0.606 175.100 174.900 -0.677 0.000 1.206 385 G CA 0.359 44.545 45.100 -1.523 0.000 0.861 385 G HN 0.062 nan 8.290 nan 0.000 0.561 386 D N -0.136 120.020 120.400 -0.407 0.000 2.310 386 D HA -0.119 4.522 4.640 0.001 0.000 0.212 386 D C 2.030 178.101 176.300 -0.382 0.000 0.965 386 D CA 0.764 54.569 54.000 -0.325 0.000 0.879 386 D CB 0.169 40.842 40.800 -0.213 0.000 0.921 386 D HN 0.550 nan 8.370 nan 0.000 0.510 387 N N 0.072 118.578 118.700 -0.324 0.000 2.461 387 N HA -0.086 4.654 4.740 0.001 0.000 0.188 387 N C 0.724 176.030 175.510 -0.341 0.000 1.134 387 N CA 0.235 53.099 53.050 -0.310 0.000 0.878 387 N CB 0.090 38.509 38.487 -0.112 0.000 0.972 387 N HN 0.253 nan 8.380 nan 0.000 0.456 388 Q N -0.287 119.288 119.800 -0.376 0.000 2.149 388 Q HA 0.260 4.600 4.340 0.001 0.000 0.221 388 Q C -0.532 175.312 176.000 -0.259 0.000 0.807 388 Q CA -0.053 55.653 55.803 -0.162 0.000 1.000 388 Q CB 1.023 29.679 28.738 -0.136 0.000 1.157 388 Q HN 0.242 nan 8.270 nan 0.000 0.487 389 K N 0.368 120.392 120.400 -0.626 0.000 2.259 389 K HA 0.478 4.798 4.320 0.001 0.000 0.252 389 K C -1.476 174.646 176.600 -0.797 0.000 0.936 389 K CA -0.399 55.611 56.287 -0.463 0.000 0.810 389 K CB 1.329 33.649 32.500 -0.300 0.000 1.143 389 K HN -0.105 nan 8.250 nan 0.000 0.427 390 W N 1.109 122.433 121.300 0.040 0.000 3.033 390 W HA 0.480 5.140 4.660 0.001 0.000 0.336 390 W C -0.398 176.198 176.519 0.127 0.000 1.173 390 W CA -0.826 56.555 57.345 0.060 0.000 1.185 390 W CB 1.091 30.570 29.460 0.031 0.000 1.425 390 W HN 0.184 nan 8.180 nan 0.000 0.536 391 R N 1.997 122.644 120.500 0.244 0.000 2.393 391 R HA 0.540 4.880 4.340 0.001 0.000 0.310 391 R C -0.777 175.555 176.300 0.054 0.000 0.968 391 R CA -0.973 55.209 56.100 0.136 0.000 0.867 391 R CB 1.227 31.572 30.300 0.074 0.000 1.124 391 R HN 0.421 nan 8.270 nan 0.000 0.450 392 L N 3.959 125.139 121.223 -0.072 0.000 2.315 392 L HA 0.243 4.583 4.340 0.001 0.000 0.278 392 L C -0.007 176.825 176.870 -0.064 0.000 1.088 392 L CA -0.685 54.069 54.840 -0.142 0.000 0.899 392 L CB -0.098 41.753 42.059 -0.347 0.000 1.277 392 L HN 0.407 nan 8.230 nan 0.000 0.431 393 N N 0.865 119.560 118.700 -0.009 0.000 2.441 393 N HA -0.033 4.708 4.740 0.001 0.000 0.251 393 N C 1.279 176.785 175.510 -0.008 0.000 1.242 393 N CA 0.148 53.201 53.050 0.005 0.000 0.898 393 N CB 1.364 39.868 38.487 0.029 0.000 1.100 393 N HN 0.538 nan 8.380 nan 0.000 0.443 394 S N -0.234 115.458 115.700 -0.012 0.000 2.507 394 S HA -0.153 4.317 4.470 0.001 0.000 0.235 394 S C 0.872 175.466 174.600 -0.009 0.000 0.988 394 S CA 0.784 58.973 58.200 -0.017 0.000 0.944 394 S CB -0.117 63.070 63.200 -0.022 0.000 0.762 394 S HN 0.695 nan 8.310 nan 0.000 0.526 395 D N 0.374 120.774 120.400 -0.000 0.000 2.340 395 D HA 0.220 4.860 4.640 0.001 0.000 0.220 395 D C 1.428 177.730 176.300 0.003 0.000 1.039 395 D CA 0.672 54.671 54.000 -0.002 0.000 0.866 395 D CB -0.510 40.291 40.800 0.001 0.000 0.913 395 D HN 0.552 nan 8.370 nan 0.000 0.523 396 G N 0.227 109.039 108.800 0.020 0.000 2.213 396 G HA2 -0.266 3.695 3.960 0.001 0.000 0.226 396 G HA3 -0.266 3.695 3.960 0.001 0.000 0.226 396 G C 0.401 175.385 174.900 0.140 0.000 0.992 396 G CA 0.288 45.419 45.100 0.051 0.000 0.632 396 G HN 0.783 nan 8.290 nan 0.000 0.511 397 S N 0.012 115.782 115.700 0.117 0.000 2.592 397 S HA 0.739 5.209 4.470 0.001 0.000 0.271 397 S C 0.053 174.751 174.600 0.163 0.000 1.326 397 S CA -0.450 57.866 58.200 0.193 0.000 1.024 397 S CB 1.847 65.121 63.200 0.123 0.000 0.921 397 S HN 0.621 nan 8.310 nan 0.000 0.527 398 I N 1.994 122.670 120.570 0.177 0.000 2.410 398 I HA 0.354 4.524 4.170 0.001 0.000 0.286 398 I C -1.044 175.183 176.117 0.183 0.000 1.009 398 I CA -0.910 60.430 61.300 0.067 0.000 1.111 398 I CB 1.861 39.740 38.000 -0.202 0.000 1.262 398 I HN 0.415 nan 8.210 nan 0.000 0.443 399 V N 4.768 124.808 119.914 0.211 0.000 2.483 399 V HA 0.520 4.641 4.120 0.001 0.000 0.295 399 V C 0.745 176.969 176.094 0.216 0.000 1.035 399 V CA -0.703 61.722 62.300 0.207 0.000 0.896 399 V CB 1.677 33.555 31.823 0.091 0.000 0.986 399 V HN 0.856 nan 8.190 nan 0.000 0.447 400 G N 2.427 111.282 108.800 0.091 0.000 2.380 400 G HA2 0.369 4.330 3.960 0.001 0.000 0.262 400 G HA3 0.369 4.330 3.960 0.001 0.000 0.262 400 G C 0.910 175.618 174.900 -0.320 0.000 1.243 400 G CA -0.258 44.583 45.100 -0.432 0.000 0.865 400 G HN 0.545 nan 8.290 nan 0.000 0.513 401 V N 2.063 121.733 119.914 -0.407 0.000 2.255 401 V HA -0.263 3.857 4.120 0.001 0.000 0.247 401 V C 2.888 178.851 176.094 -0.218 0.000 1.051 401 V CA 2.489 64.633 62.300 -0.259 0.000 1.018 401 V CB -0.568 31.099 31.823 -0.260 0.000 0.641 401 V HN 0.883 nan 8.190 nan 0.000 0.445 402 Q N -0.005 119.637 119.800 -0.263 0.000 2.046 402 Q HA -0.189 4.151 4.340 0.001 0.000 0.200 402 Q C 2.396 178.315 176.000 -0.135 0.000 0.975 402 Q CA 2.234 57.930 55.803 -0.180 0.000 0.836 402 Q CB -0.095 28.533 28.738 -0.183 0.000 0.896 402 Q HN 0.780 nan 8.270 nan 0.000 0.428 403 S N -1.729 113.881 115.700 -0.151 0.000 2.425 403 S HA 0.123 4.593 4.470 0.001 0.000 0.225 403 S C 1.490 176.046 174.600 -0.074 0.000 1.024 403 S CA 0.770 58.913 58.200 -0.095 0.000 0.951 403 S CB 0.165 63.319 63.200 -0.076 0.000 0.796 403 S HN 0.675 nan 8.310 nan 0.000 0.498 404 G N 1.034 109.785 108.800 -0.081 0.000 2.148 404 G HA2 -0.205 3.755 3.960 0.001 0.000 0.254 404 G HA3 -0.205 3.755 3.960 0.001 0.000 0.254 404 G C -0.078 174.813 174.900 -0.015 0.000 0.981 404 G CA 0.538 45.607 45.100 -0.052 0.000 0.670 404 G HN 0.551 nan 8.290 nan 0.000 0.528 405 L N -0.657 120.568 121.223 0.004 0.000 2.358 405 L HA 0.627 4.968 4.340 0.001 0.000 0.268 405 L C 0.837 177.784 176.870 0.128 0.000 1.032 405 L CA -1.161 53.710 54.840 0.052 0.000 0.805 405 L CB 1.586 43.669 42.059 0.039 0.000 1.253 405 L HN 0.174 nan 8.230 nan 0.000 0.452 406 c N 1.400 120.096 118.600 0.160 0.000 2.364 406 c HA 0.411 4.981 4.570 0.001 0.000 0.356 406 c C 0.508 174.740 174.090 0.238 0.000 1.201 406 c CA -0.769 55.682 56.329 0.204 0.000 2.227 406 c CB 0.914 43.535 42.510 0.185 0.000 2.387 406 c HN 0.513 nan 8.230 nan 0.000 0.546 407 L N 3.308 124.669 121.223 0.230 0.000 2.455 407 L HA 0.210 4.551 4.340 0.001 0.000 0.272 407 L C 0.186 177.262 176.870 0.342 0.000 1.174 407 L CA 0.965 55.910 54.840 0.175 0.000 0.869 407 L CB 0.118 42.101 42.059 -0.125 0.000 1.130 407 L HN 0.683 nan 8.230 nan 0.000 0.474 408 D N 3.215 123.779 120.400 0.272 0.000 2.863 408 D HA 0.342 4.983 4.640 0.001 0.000 0.245 408 D C -0.871 175.528 176.300 0.164 0.000 1.211 408 D CA -0.481 53.644 54.000 0.210 0.000 0.888 408 D CB 2.167 43.069 40.800 0.170 0.000 1.483 408 D HN 0.508 nan 8.370 nan 0.000 0.533 409 A N 3.811 126.698 122.820 0.112 0.000 2.395 409 A HA 0.375 4.695 4.320 0.001 0.000 0.286 409 A C 0.573 178.164 177.584 0.011 0.000 1.193 409 A CA -0.425 51.656 52.037 0.074 0.000 0.852 409 A CB 0.163 19.168 19.000 0.008 0.000 1.118 409 A HN 0.453 nan 8.150 nan 0.000 0.524 410 V N 2.951 122.883 119.914 0.029 0.000 2.726 410 V HA 0.175 4.295 4.120 0.001 0.000 0.304 410 V C 1.746 177.821 176.094 -0.031 0.000 1.115 410 V CA 1.714 64.015 62.300 0.002 0.000 1.264 410 V CB -0.305 31.538 31.823 0.032 0.000 0.867 410 V HN 1.898 nan 8.190 nan 0.000 0.498 411 G N 3.841 112.601 108.800 -0.067 0.000 2.269 411 G HA2 -0.059 3.901 3.960 0.001 0.000 0.277 411 G HA3 -0.059 3.901 3.960 0.001 0.000 0.277 411 G C 1.128 175.983 174.900 -0.075 0.000 1.008 411 G CA 0.685 45.742 45.100 -0.071 0.000 0.774 411 G HN 2.505 nan 8.290 nan 0.000 0.511 412 G N -1.543 107.202 108.800 -0.091 0.000 2.203 412 G HA2 0.149 4.110 3.960 0.001 0.000 0.263 412 G HA3 0.149 4.110 3.960 0.001 0.000 0.263 412 G C 1.317 176.175 174.900 -0.071 0.000 1.012 412 G CA 0.939 45.984 45.100 -0.093 0.000 0.749 412 G HN 2.128 nan 8.290 nan 0.000 0.512 413 G N -1.014 107.756 108.800 -0.049 0.000 2.484 413 G HA2 0.502 4.463 3.960 0.001 0.000 0.235 413 G HA3 0.502 4.463 3.960 0.001 0.000 0.235 413 G C 1.066 175.941 174.900 -0.041 0.000 1.282 413 G CA 1.056 46.136 45.100 -0.033 0.000 0.857 413 G HN 1.350 nan 8.290 nan 0.000 0.571 414 T N -1.902 112.628 114.554 -0.040 0.000 2.986 414 T HA 0.553 4.904 4.350 0.001 0.000 0.264 414 T C 1.081 175.757 174.700 -0.040 0.000 0.964 414 T CA 0.684 62.755 62.100 -0.048 0.000 0.895 414 T CB 0.191 69.024 68.868 -0.060 0.000 1.163 414 T HN 0.931 nan 8.240 nan 0.000 0.517 415 A N 2.223 125.024 122.820 -0.031 0.000 2.313 415 A HA 0.538 4.859 4.320 0.001 0.000 0.261 415 A C 0.323 177.887 177.584 -0.033 0.000 1.090 415 A CA -0.618 51.395 52.037 -0.040 0.000 0.807 415 A CB -0.020 18.964 19.000 -0.027 0.000 1.055 415 A HN 0.409 nan 8.150 nan 0.000 0.492 416 N N -0.209 118.438 118.700 -0.088 0.000 2.407 416 N HA 0.280 5.021 4.740 0.001 0.000 0.250 416 N C 1.206 176.766 175.510 0.082 0.000 1.236 416 N CA 1.720 54.713 53.050 -0.095 0.000 0.879 416 N CB 0.821 39.092 38.487 -0.360 0.000 1.088 416 N HN 1.280 nan 8.380 nan 0.000 0.450 417 G N 0.612 109.537 108.800 0.208 0.000 2.195 417 G HA2 -0.285 3.676 3.960 0.001 0.000 0.246 417 G HA3 -0.285 3.676 3.960 0.001 0.000 0.246 417 G C 0.204 175.176 174.900 0.119 0.000 0.984 417 G CA 0.353 45.557 45.100 0.175 0.000 0.633 417 G HN 0.621 nan 8.290 nan 0.000 0.525 418 T N 2.440 117.052 114.554 0.097 0.000 2.871 418 T HA 0.425 4.776 4.350 0.001 0.000 0.296 418 T C 0.996 175.753 174.700 0.095 0.000 0.998 418 T CA 0.248 62.393 62.100 0.076 0.000 1.162 418 T CB 0.686 69.587 68.868 0.055 0.000 0.947 418 T HN 0.366 nan 8.240 nan 0.000 0.536 419 L N 3.825 125.098 121.223 0.082 0.000 2.439 419 L HA 0.437 4.778 4.340 0.001 0.000 0.261 419 L C 0.253 177.177 176.870 0.090 0.000 1.153 419 L CA -1.002 53.890 54.840 0.086 0.000 0.808 419 L CB 0.506 42.611 42.059 0.076 0.000 1.126 419 L HN 0.393 nan 8.230 nan 0.000 0.460 420 I N 1.866 122.486 120.570 0.084 0.000 2.377 420 I HA 0.317 4.488 4.170 0.001 0.000 0.293 420 I C 0.009 176.174 176.117 0.080 0.000 0.987 420 I CA -0.264 61.085 61.300 0.082 0.000 1.185 420 I CB 1.358 39.368 38.000 0.017 0.000 1.341 420 I HN 0.725 nan 8.210 nan 0.000 0.455 421 Q N 5.897 125.763 119.800 0.109 0.000 2.587 421 Q HA 0.756 5.097 4.340 0.001 0.000 0.293 421 Q C -1.666 174.434 176.000 0.165 0.000 1.083 421 Q CA -1.005 54.876 55.803 0.130 0.000 0.792 421 Q CB 2.528 31.354 28.738 0.147 0.000 1.484 421 Q HN 0.459 nan 8.270 nan 0.000 0.446 422 L N 1.138 122.466 121.223 0.176 0.000 2.343 422 L HA 0.631 4.972 4.340 0.001 0.000 0.275 422 L C -1.219 175.787 176.870 0.227 0.000 1.056 422 L CA -0.818 54.135 54.840 0.189 0.000 0.804 422 L CB 1.033 43.176 42.059 0.140 0.000 1.203 422 L HN 0.677 nan 8.230 nan 0.000 0.440 423 Y N 0.108 120.456 120.300 0.079 0.000 2.604 423 Y HA 0.170 4.721 4.550 0.001 0.000 0.331 423 Y C -0.132 175.799 175.900 0.050 0.000 1.158 423 Y CA -0.825 57.309 58.100 0.056 0.000 1.056 423 Y CB 1.793 40.284 38.460 0.052 0.000 1.330 423 Y HN 0.516 nan 8.280 nan 0.000 0.457 424 S N 2.379 118.028 115.700 -0.085 0.000 2.593 424 S HA -0.004 4.466 4.470 0.001 0.000 0.300 424 S C -0.325 174.396 174.600 0.201 0.000 1.267 424 S CA 0.009 58.234 58.200 0.043 0.000 1.065 424 S CB -0.454 62.734 63.200 -0.019 0.000 0.807 424 S HN 0.612 nan 8.310 nan 0.000 0.499 425 c N 3.896 122.567 118.600 0.119 0.000 2.634 425 c HA 0.222 4.792 4.570 0.001 0.000 0.418 425 c C 1.859 176.005 174.090 0.094 0.000 1.373 425 c CA -0.047 56.348 56.329 0.110 0.000 1.756 425 c CB -0.636 41.919 42.510 0.075 0.000 2.589 425 c HN 1.032 nan 8.230 nan 0.000 0.602 426 S N 0.909 116.657 115.700 0.079 0.000 2.787 426 S HA 0.096 4.566 4.470 0.001 0.000 0.255 426 S C 0.541 175.148 174.600 0.013 0.000 1.051 426 S CA -0.008 58.221 58.200 0.048 0.000 1.124 426 S CB -0.170 63.057 63.200 0.045 0.000 1.104 426 S HN 0.832 nan 8.310 nan 0.000 0.623 427 N N 1.311 120.016 118.700 0.007 0.000 2.800 427 N HA -0.109 4.632 4.740 0.001 0.000 0.250 427 N C 0.449 175.933 175.510 -0.043 0.000 1.078 427 N CA 0.937 53.977 53.050 -0.016 0.000 0.804 427 N CB -1.656 36.824 38.487 -0.012 0.000 1.135 427 N HN 0.729 nan 8.380 nan 0.000 0.565 428 G N 0.156 108.925 108.800 -0.052 0.000 2.569 428 G HA2 0.307 4.268 3.960 0.001 0.000 0.249 428 G HA3 0.307 4.268 3.960 0.001 0.000 0.249 428 G C 1.033 175.857 174.900 -0.127 0.000 1.216 428 G CA 0.371 45.422 45.100 -0.082 0.000 0.845 428 G HN 0.266 nan 8.290 nan 0.000 0.568 429 S N 0.092 115.706 115.700 -0.143 0.000 2.474 429 S HA -0.145 4.326 4.470 0.001 0.000 0.235 429 S C 1.642 176.067 174.600 -0.292 0.000 0.997 429 S CA 1.051 59.134 58.200 -0.194 0.000 0.949 429 S CB -0.214 62.892 63.200 -0.157 0.000 0.766 429 S HN 0.727 nan 8.310 nan 0.000 0.517 430 N N 0.912 119.459 118.700 -0.255 0.000 2.383 430 N HA 0.021 4.762 4.740 0.001 0.000 0.192 430 N C 0.866 176.173 175.510 -0.340 0.000 1.141 430 N CA 0.105 52.973 53.050 -0.303 0.000 0.851 430 N CB -0.235 38.142 38.487 -0.183 0.000 0.976 430 N HN 0.585 nan 8.380 nan 0.000 0.465 431 Q N -0.487 119.127 119.800 -0.310 0.000 2.149 431 Q HA 0.254 4.594 4.340 0.001 0.000 0.221 431 Q C -0.463 175.366 176.000 -0.285 0.000 0.807 431 Q CA -0.377 55.333 55.803 -0.156 0.000 1.000 431 Q CB 1.056 29.798 28.738 0.006 0.000 1.157 431 Q HN 0.116 nan 8.270 nan 0.000 0.487 432 R N -0.076 120.066 120.500 -0.597 0.000 2.532 432 R HA 0.434 4.774 4.340 0.001 0.000 0.295 432 R C -1.219 174.596 176.300 -0.809 0.000 0.968 432 R CA -0.068 55.756 56.100 -0.460 0.000 0.916 432 R CB 0.882 31.025 30.300 -0.260 0.000 1.124 432 R HN -0.014 nan 8.270 nan 0.000 0.463 433 W N -0.245 121.011 121.300 -0.074 0.000 3.031 433 W HA 0.449 5.109 4.660 0.001 0.000 0.337 433 W C -0.163 176.311 176.519 -0.075 0.000 1.187 433 W CA -0.694 56.600 57.345 -0.085 0.000 1.166 433 W CB 1.418 30.805 29.460 -0.122 0.000 1.437 433 W HN 0.505 nan 8.180 nan 0.000 0.551 434 T N -0.710 113.944 114.554 0.166 0.000 2.848 434 T HA 0.528 4.878 4.350 0.001 0.000 0.285 434 T C -0.433 174.310 174.700 0.071 0.000 0.995 434 T CA -1.201 60.946 62.100 0.078 0.000 0.970 434 T CB 1.267 70.156 68.868 0.036 0.000 0.976 434 T HN 0.325 nan 8.240 nan 0.000 0.441 435 R N 3.488 124.009 120.500 0.035 0.000 2.272 435 R HA 0.385 4.725 4.340 0.001 0.000 0.334 435 R C 0.606 176.922 176.300 0.027 0.000 1.117 435 R CA -0.214 55.898 56.100 0.020 0.000 0.966 435 R CB -0.228 30.067 30.300 -0.008 0.000 1.049 435 R HN 0.982 nan 8.270 nan 0.000 0.477 436 T N 0.000 114.577 114.554 0.039 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.121 62.100 0.035 0.000 1.349 436 T CB 0.000 68.890 68.868 0.037 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658