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 2c73_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGFMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.478 175.510 -0.054 0.000 1.280 3 N CA 0.000 52.925 53.050 -0.208 0.000 0.885 3 N CB 0.000 38.407 38.487 -0.134 0.000 1.341 4 K N 0.224 120.625 120.400 0.002 0.000 2.259 4 K HA 0.710 5.030 4.320 -0.000 0.000 0.252 4 K C -0.770 175.867 176.600 0.061 0.000 0.936 4 K CA -0.602 55.706 56.287 0.034 0.000 0.810 4 K CB 2.248 34.756 32.500 0.013 0.000 1.143 4 K HN 0.488 nan 8.250 nan 0.000 0.427 5 C N -1.238 118.104 119.300 0.069 0.000 3.272 5 C HA 0.415 4.875 4.460 -0.000 0.000 0.363 5 C C 0.462 175.489 174.990 0.061 0.000 1.514 5 C CA -0.769 58.290 59.018 0.068 0.000 1.185 5 C CB 0.559 28.351 27.740 0.088 0.000 1.716 5 C HN 0.798 nan 8.230 nan 0.000 0.440 6 D N 0.419 120.857 120.400 0.063 0.000 2.110 6 D HA 0.107 4.747 4.640 -0.000 0.000 0.202 6 D C 0.357 176.722 176.300 0.108 0.000 0.975 6 D CA 1.786 55.833 54.000 0.078 0.000 0.839 6 D CB 0.110 40.954 40.800 0.072 0.000 0.996 6 D HN 0.486 nan 8.370 nan 0.000 0.464 7 V N 1.682 121.651 119.914 0.091 0.000 2.569 7 V HA 0.206 4.326 4.120 -0.000 0.000 0.301 7 V C -0.101 176.026 176.094 0.055 0.000 1.044 7 V CA -0.797 61.558 62.300 0.091 0.000 0.874 7 V CB 2.618 34.477 31.823 0.060 0.000 1.002 7 V HN -0.214 nan 8.190 nan 0.000 0.424 8 V N 5.633 125.576 119.914 0.047 0.000 2.461 8 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 8 V C 0.063 176.150 176.094 -0.010 0.000 1.047 8 V CA -0.247 62.052 62.300 -0.001 0.000 0.955 8 V CB 1.719 33.534 31.823 -0.014 0.000 0.988 8 V HN 0.622 nan 8.190 nan 0.000 0.471 9 V N 6.270 126.162 119.914 -0.035 0.000 2.347 9 V HA 0.323 4.443 4.120 -0.000 0.000 0.280 9 V C -0.029 176.039 176.094 -0.042 0.000 1.021 9 V CA -0.576 61.708 62.300 -0.026 0.000 0.847 9 V CB 1.801 33.611 31.823 -0.021 0.000 0.990 9 V HN 0.608 nan 8.190 nan 0.000 0.444 10 V N 4.615 124.518 119.914 -0.018 0.000 2.385 10 V HA 0.806 4.926 4.120 -0.000 0.000 0.269 10 V C 0.705 176.802 176.094 0.006 0.000 1.043 10 V CA 0.455 62.744 62.300 -0.018 0.000 0.906 10 V CB 0.488 32.318 31.823 0.012 0.000 0.995 10 V HN 1.271 nan 8.190 nan 0.000 0.467 11 G N 3.688 112.478 108.800 -0.016 0.000 3.225 11 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 11 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 11 G C 0.098 174.998 174.900 0.001 0.000 1.105 11 G CA -0.518 44.583 45.100 0.002 0.000 0.831 11 G HN 1.260 nan 8.290 nan 0.000 0.578 12 G N 0.811 109.609 108.800 -0.003 0.000 4.125 12 G HA2 0.682 4.642 3.960 -0.000 0.000 0.301 12 G HA3 0.682 4.642 3.960 -0.000 0.000 0.301 12 G C 0.850 175.764 174.900 0.024 0.000 1.273 12 G CA 0.929 46.030 45.100 0.001 0.000 1.095 12 G HN 1.296 nan 8.290 nan 0.000 0.582 13 G N -0.238 108.587 108.800 0.042 0.000 2.525 13 G HA2 0.374 4.334 3.960 -0.000 0.000 0.287 13 G HA3 0.374 4.334 3.960 -0.000 0.000 0.287 13 G C 1.184 176.112 174.900 0.046 0.000 1.350 13 G CA -0.823 44.311 45.100 0.057 0.000 1.039 13 G HN 0.136 nan 8.290 nan 0.000 0.513 14 I N -0.457 120.144 120.570 0.051 0.000 2.248 14 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 14 I C 2.952 179.094 176.117 0.042 0.000 1.107 14 I CA 1.437 62.761 61.300 0.040 0.000 1.373 14 I CB -0.084 37.945 38.000 0.048 0.000 1.055 14 I HN 0.441 nan 8.210 nan 0.000 0.418 15 S N 0.540 116.276 115.700 0.060 0.000 2.338 15 S HA -0.094 4.376 4.470 -0.000 0.000 0.218 15 S C 2.148 176.775 174.600 0.044 0.000 1.032 15 S CA 1.452 59.690 58.200 0.064 0.000 0.999 15 S CB -0.656 62.600 63.200 0.093 0.000 0.905 15 S HN 0.561 nan 8.310 nan 0.000 0.439 16 G N 2.068 110.893 108.800 0.042 0.000 2.529 16 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 16 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 16 G C 1.410 176.312 174.900 0.004 0.000 1.177 16 G CA 1.441 46.554 45.100 0.022 0.000 0.773 16 G HN 0.386 nan 8.290 nan 0.000 0.573 17 M N 1.185 120.786 119.600 0.002 0.000 2.117 17 M HA 0.076 4.556 4.480 -0.000 0.000 0.262 17 M C 2.951 179.241 176.300 -0.016 0.000 1.065 17 M CA 0.991 56.282 55.300 -0.015 0.000 1.114 17 M CB -1.385 31.204 32.600 -0.018 0.000 1.361 17 M HN 0.330 nan 8.290 nan 0.000 0.408 18 A N -0.397 122.420 122.820 -0.005 0.000 1.969 18 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 18 A C 2.402 179.982 177.584 -0.007 0.000 1.169 18 A CA 1.811 53.845 52.037 -0.005 0.000 0.635 18 A CB -0.799 18.205 19.000 0.006 0.000 0.810 18 A HN 0.459 nan 8.150 nan 0.000 0.445 19 A N -0.071 122.746 122.820 -0.005 0.000 1.872 19 A HA 0.244 4.564 4.320 -0.000 0.000 0.214 19 A C 2.502 180.078 177.584 -0.013 0.000 1.187 19 A CA 1.824 53.852 52.037 -0.014 0.000 0.614 19 A CB -1.005 17.989 19.000 -0.010 0.000 0.826 19 A HN 0.963 nan 8.150 nan 0.000 0.442 20 A N -0.148 122.666 122.820 -0.010 0.000 1.877 20 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 20 A C 2.150 179.743 177.584 0.014 0.000 1.186 20 A CA 2.034 54.069 52.037 -0.004 0.000 0.620 20 A CB -0.512 18.473 19.000 -0.025 0.000 0.822 20 A HN 0.527 nan 8.150 nan 0.000 0.443 21 K N -0.576 119.821 120.400 -0.005 0.000 2.032 21 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 21 K C 2.004 178.637 176.600 0.054 0.000 1.048 21 K CA 1.664 57.958 56.287 0.011 0.000 0.927 21 K CB -0.324 32.168 32.500 -0.013 0.000 0.712 21 K HN 0.473 nan 8.250 nan 0.000 0.441 22 L N 1.037 122.273 121.223 0.021 0.000 2.083 22 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 22 L C 2.073 178.949 176.870 0.010 0.000 1.083 22 L CA 0.972 55.818 54.840 0.009 0.000 0.752 22 L CB -0.028 42.022 42.059 -0.016 0.000 0.899 22 L HN 0.250 nan 8.230 nan 0.000 0.433 23 L N -1.304 119.929 121.223 0.016 0.000 2.068 23 L HA -0.220 4.120 4.340 -0.000 0.000 0.204 23 L C 2.534 179.430 176.870 0.043 0.000 1.076 23 L CA 1.355 56.200 54.840 0.008 0.000 0.753 23 L CB -0.701 41.357 42.059 -0.002 0.000 0.910 23 L HN 0.365 nan 8.230 nan 0.000 0.439 24 H N 0.085 119.142 119.070 -0.022 0.000 2.421 24 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 24 H C 1.326 176.645 175.328 -0.015 0.000 1.087 24 H CA 1.695 57.734 56.048 -0.015 0.000 1.330 24 H CB 0.137 29.891 29.762 -0.013 0.000 1.388 24 H HN 0.222 nan 8.280 nan 0.000 0.526 25 D N -0.636 119.809 120.400 0.075 0.000 2.363 25 D HA -0.011 4.629 4.640 -0.000 0.000 0.226 25 D C 0.856 177.130 176.300 -0.044 0.000 1.020 25 D CA 0.536 54.540 54.000 0.007 0.000 0.892 25 D CB 0.170 40.997 40.800 0.045 0.000 0.900 25 D HN 0.302 nan 8.370 nan 0.000 0.531 26 S N -1.117 114.550 115.700 -0.055 0.000 2.578 26 S HA 0.340 4.810 4.470 -0.000 0.000 0.231 26 S C 1.495 176.052 174.600 -0.072 0.000 0.994 26 S CA 0.167 58.335 58.200 -0.053 0.000 0.956 26 S CB 1.144 64.320 63.200 -0.041 0.000 0.870 26 S HN 0.355 nan 8.310 nan 0.000 0.494 27 G N 1.534 110.261 108.800 -0.121 0.000 2.159 27 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.256 27 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.256 27 G C -0.018 174.828 174.900 -0.090 0.000 0.977 27 G CA -0.027 44.996 45.100 -0.129 0.000 0.652 27 G HN 0.439 nan 8.290 nan 0.000 0.531 28 L N 0.619 121.803 121.223 -0.064 0.000 2.418 28 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 28 L C 0.371 177.244 176.870 0.005 0.000 1.143 28 L CA -0.855 53.973 54.840 -0.019 0.000 0.809 28 L CB 0.571 42.629 42.059 -0.003 0.000 1.124 28 L HN 0.035 nan 8.230 nan 0.000 0.456 29 N N 2.035 120.752 118.700 0.028 0.000 2.437 29 N HA 0.281 5.021 4.740 -0.000 0.000 0.243 29 N C -0.766 174.786 175.510 0.069 0.000 1.041 29 N CA -0.154 52.928 53.050 0.055 0.000 0.940 29 N CB 1.441 39.956 38.487 0.047 0.000 1.133 29 N HN 0.346 nan 8.380 nan 0.000 0.506 30 V N 0.202 120.167 119.914 0.086 0.000 2.769 30 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 30 V C -0.155 175.970 176.094 0.051 0.000 1.058 30 V CA -0.665 61.673 62.300 0.064 0.000 0.952 30 V CB 2.030 33.888 31.823 0.058 0.000 1.019 30 V HN 0.143 nan 8.190 nan 0.000 0.445 31 V N 3.995 123.922 119.914 0.022 0.000 2.525 31 V HA 0.434 4.554 4.120 -0.000 0.000 0.299 31 V C -0.300 175.750 176.094 -0.073 0.000 1.034 31 V CA -0.486 61.805 62.300 -0.015 0.000 0.863 31 V CB 2.005 33.827 31.823 -0.002 0.000 0.999 31 V HN 0.856 nan 8.190 nan 0.000 0.423 32 V N 6.548 126.415 119.914 -0.078 0.000 2.385 32 V HA 0.397 4.517 4.120 -0.000 0.000 0.269 32 V C -0.009 176.002 176.094 -0.138 0.000 1.043 32 V CA -0.367 61.879 62.300 -0.090 0.000 0.906 32 V CB 1.184 32.971 31.823 -0.060 0.000 0.995 32 V HN 0.611 nan 8.190 nan 0.000 0.467 33 L N 4.695 125.816 121.223 -0.171 0.000 2.264 33 L HA 0.542 4.882 4.340 -0.000 0.000 0.287 33 L C 0.015 176.805 176.870 -0.135 0.000 1.039 33 L CA -0.278 54.440 54.840 -0.202 0.000 0.829 33 L CB 1.179 43.067 42.059 -0.285 0.000 1.211 33 L HN 0.637 nan 8.230 nan 0.000 0.427 34 E N 2.463 122.590 120.200 -0.122 0.000 2.166 34 E HA 0.478 4.828 4.350 -0.000 0.000 0.275 34 E C 0.261 176.759 176.600 -0.170 0.000 0.941 34 E CA -0.351 55.980 56.400 -0.115 0.000 0.784 34 E CB 2.084 31.738 29.700 -0.078 0.000 1.115 34 E HN 0.525 nan 8.360 nan 0.000 0.399 35 A N 5.335 127.994 122.820 -0.268 0.000 2.016 35 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 35 A C 0.968 178.300 177.584 -0.419 0.000 1.162 35 A CA 0.626 52.376 52.037 -0.479 0.000 0.662 35 A CB -0.027 18.369 19.000 -1.007 0.000 0.812 35 A HN 0.549 nan 8.150 nan 0.000 0.450 36 R N 0.171 120.509 120.500 -0.269 0.000 2.607 36 R HA 0.272 4.612 4.340 -0.000 0.000 0.261 36 R C -0.290 175.963 176.300 -0.077 0.000 1.051 36 R CA -0.005 56.013 56.100 -0.137 0.000 1.110 36 R CB 0.361 30.620 30.300 -0.068 0.000 1.158 36 R HN 0.358 nan 8.270 nan 0.000 0.543 37 D N 0.871 121.246 120.400 -0.043 0.000 2.344 37 D HA -0.021 4.619 4.640 -0.000 0.000 0.242 37 D C -0.187 176.112 176.300 -0.001 0.000 1.159 37 D CA -0.008 53.980 54.000 -0.020 0.000 0.859 37 D CB -0.088 40.706 40.800 -0.009 0.000 0.925 37 D HN 0.440 nan 8.370 nan 0.000 0.510 38 R N -1.655 118.844 120.500 -0.000 0.000 2.716 38 R HA 0.564 4.904 4.340 -0.000 0.000 0.271 38 R C -0.880 175.440 176.300 0.034 0.000 1.028 38 R CA -1.091 55.030 56.100 0.034 0.000 0.883 38 R CB 0.954 31.300 30.300 0.076 0.000 1.250 38 R HN -0.091 nan 8.270 nan 0.000 0.465 39 V N -1.884 118.061 119.914 0.051 0.000 3.302 39 V HA 0.887 5.007 4.120 -0.000 0.000 0.316 39 V C 0.930 177.080 176.094 0.093 0.000 1.111 39 V CA 0.341 62.669 62.300 0.047 0.000 1.029 39 V CB 0.857 32.694 31.823 0.022 0.000 1.170 39 V HN 1.218 nan 8.190 nan 0.000 0.452 40 G N -1.153 107.701 108.800 0.090 0.000 2.307 40 G HA2 0.075 4.035 3.960 -0.000 0.000 0.210 40 G HA3 0.075 4.035 3.960 -0.000 0.000 0.210 40 G C 1.558 176.548 174.900 0.151 0.000 1.005 40 G CA 0.686 45.863 45.100 0.129 0.000 0.634 40 G HN 2.533 nan 8.290 nan 0.000 0.496 41 G N 0.782 109.676 108.800 0.155 0.000 2.698 41 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.337 41 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.337 41 G C 1.063 176.111 174.900 0.247 0.000 1.286 41 G CA 1.780 46.991 45.100 0.185 0.000 1.000 41 G HN 1.207 nan 8.290 nan 0.000 0.547 42 R N 1.568 122.123 120.500 0.092 0.000 2.341 42 R HA 0.094 4.434 4.340 -0.000 0.000 0.213 42 R C 1.283 177.482 176.300 -0.167 0.000 1.082 42 R CA 1.202 57.180 56.100 -0.204 0.000 1.017 42 R CB -0.504 29.656 30.300 -0.233 0.000 0.860 42 R HN 0.711 nan 8.270 nan 0.000 0.473 43 T N -2.535 112.071 114.554 0.087 0.000 2.867 43 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 43 T C -0.833 174.104 174.700 0.394 0.000 1.000 43 T CA -0.653 61.552 62.100 0.176 0.000 1.042 43 T CB 1.569 70.508 68.868 0.120 0.000 0.973 43 T HN 0.161 nan 8.240 nan 0.000 0.465 44 Y N 0.963 121.415 120.300 0.253 0.000 2.252 44 Y HA 0.353 4.903 4.550 -0.000 0.000 0.318 44 Y C -1.196 174.823 175.900 0.198 0.000 1.220 44 Y CA -0.783 57.469 58.100 0.253 0.000 1.207 44 Y CB 0.929 39.609 38.460 0.368 0.000 1.244 44 Y HN 0.889 nan 8.280 nan 0.000 0.404 45 T N 7.469 121.881 114.554 -0.238 0.000 2.733 45 T HA 0.452 4.801 4.350 -0.000 0.000 0.294 45 T C -0.589 173.831 174.700 -0.467 0.000 0.956 45 T CA -0.310 61.631 62.100 -0.264 0.000 0.987 45 T CB 0.677 69.500 68.868 -0.074 0.000 0.920 45 T HN 0.597 nan 8.240 nan 0.000 0.470 46 L N 4.285 125.243 121.223 -0.442 0.000 2.334 46 L HA 0.689 5.029 4.340 -0.000 0.000 0.277 46 L C -0.279 176.529 176.870 -0.103 0.000 1.075 46 L CA -0.332 54.312 54.840 -0.326 0.000 0.804 46 L CB 0.778 42.693 42.059 -0.240 0.000 1.174 46 L HN 0.474 nan 8.230 nan 0.000 0.438 47 R N 3.250 123.713 120.500 -0.061 0.000 2.561 47 R HA 0.623 4.963 4.340 -0.000 0.000 0.297 47 R C -1.288 174.996 176.300 -0.027 0.000 0.969 47 R CA -0.604 55.482 56.100 -0.023 0.000 0.879 47 R CB 1.455 31.750 30.300 -0.008 0.000 1.178 47 R HN 0.886 nan 8.270 nan 0.000 0.445 48 N N -0.759 117.911 118.700 -0.049 0.000 3.020 48 N HA 0.069 4.809 4.740 -0.000 0.000 0.248 48 N C -0.034 175.426 175.510 -0.082 0.000 1.480 48 N CA -0.882 52.134 53.050 -0.057 0.000 0.874 48 N CB 0.576 39.030 38.487 -0.055 0.000 1.433 48 N HN 0.160 nan 8.380 nan 0.000 0.530 49 Q N -0.113 119.644 119.800 -0.072 0.000 2.112 49 Q HA -0.102 4.238 4.340 -0.000 0.000 0.206 49 Q C 0.807 176.783 176.000 -0.040 0.000 0.987 49 Q CA 1.596 57.370 55.803 -0.048 0.000 0.858 49 Q CB -0.143 28.563 28.738 -0.054 0.000 0.905 49 Q HN 0.531 nan 8.270 nan 0.000 0.420 50 K N -0.065 120.226 120.400 -0.181 0.000 2.057 50 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 50 K C 2.064 178.536 176.600 -0.213 0.000 1.050 50 K CA 1.477 57.569 56.287 -0.325 0.000 0.935 50 K CB -0.288 31.672 32.500 -0.901 0.000 0.715 50 K HN 0.317 nan 8.250 nan 0.000 0.439 51 V N -2.159 117.584 119.914 -0.285 0.000 3.661 51 V HA 0.190 4.310 4.120 -0.000 0.000 0.271 51 V C 1.416 177.171 176.094 -0.565 0.000 1.315 51 V CA 0.840 62.924 62.300 -0.359 0.000 1.072 51 V CB 0.079 31.722 31.823 -0.299 0.000 0.830 51 V HN 0.352 nan 8.190 nan 0.000 0.443 52 K N 0.692 120.808 120.400 -0.473 0.000 11.112 52 K HA -0.307 4.013 4.320 -0.000 0.000 0.520 52 K C 0.186 176.675 176.600 -0.185 0.000 0.409 52 K CA 2.440 58.463 56.287 -0.441 0.000 1.888 52 K CB -1.619 30.358 32.500 -0.872 0.000 0.791 52 K HN 0.930 nan 8.250 nan 0.000 1.246 53 Y N -1.350 118.801 120.300 -0.248 0.000 2.576 53 Y HA 0.788 5.338 4.550 -0.000 0.000 0.346 53 Y C -1.049 174.803 175.900 -0.080 0.000 1.018 53 Y CA -0.786 57.230 58.100 -0.140 0.000 1.050 53 Y CB 2.152 40.547 38.460 -0.109 0.000 1.280 53 Y HN 0.081 nan 8.280 nan 0.000 0.474 54 V N 2.049 122.019 119.914 0.094 0.000 2.817 54 V HA 0.272 4.392 4.120 -0.000 0.000 0.303 54 V C -1.529 174.620 176.094 0.093 0.000 1.151 54 V CA -0.750 61.602 62.300 0.087 0.000 0.929 54 V CB 1.864 33.751 31.823 0.107 0.000 1.030 54 V HN 0.935 nan 8.190 nan 0.000 0.427 55 D N 5.799 126.268 120.400 0.115 0.000 2.346 55 D HA 0.228 4.868 4.640 -0.000 0.000 0.260 55 D C 0.838 177.214 176.300 0.128 0.000 1.252 55 D CA 0.303 54.355 54.000 0.087 0.000 0.895 55 D CB 1.639 42.460 40.800 0.036 0.000 1.097 55 D HN 0.487 nan 8.370 nan 0.000 0.489 56 L N 1.555 122.905 121.223 0.211 0.000 2.590 56 L HA 0.206 4.545 4.340 -0.000 0.000 0.227 56 L C 1.532 178.846 176.870 0.739 0.000 1.099 56 L CA 0.043 55.113 54.840 0.384 0.000 0.872 56 L CB 0.405 42.678 42.059 0.358 0.000 1.088 56 L HN 0.318 nan 8.230 nan 0.000 0.479 57 G N -0.648 108.533 108.800 0.635 0.000 3.247 57 G HA2 0.414 4.374 3.960 -0.000 0.000 0.163 57 G HA3 0.414 4.374 3.960 -0.000 0.000 0.163 57 G C -0.057 174.876 174.900 0.056 0.000 1.206 57 G CA -0.004 45.239 45.100 0.238 0.000 0.918 57 G HN 0.106 nan 8.290 nan 0.000 0.625 58 G N -0.908 107.851 108.800 -0.068 0.000 2.368 58 G HA2 0.357 4.317 3.960 -0.000 0.000 0.233 58 G HA3 0.357 4.317 3.960 -0.000 0.000 0.233 58 G C 0.560 175.434 174.900 -0.042 0.000 1.267 58 G CA 0.977 46.040 45.100 -0.062 0.000 0.873 58 G HN 0.979 nan 8.290 nan 0.000 0.539 59 S N 0.964 116.582 115.700 -0.136 0.000 3.050 59 S HA 0.168 4.638 4.470 -0.000 0.000 0.261 59 S C -0.071 174.253 174.600 -0.459 0.000 1.057 59 S CA -0.302 57.710 58.200 -0.313 0.000 1.012 59 S CB -0.030 62.856 63.200 -0.524 0.000 0.919 59 S HN 0.501 nan 8.310 nan 0.000 0.429 60 Y N 2.534 122.784 120.300 -0.084 0.000 2.320 60 Y HA 0.612 5.162 4.550 -0.000 0.000 0.324 60 Y C 0.137 175.917 175.900 -0.200 0.000 1.190 60 Y CA -0.398 57.613 58.100 -0.148 0.000 1.215 60 Y CB 1.641 40.063 38.460 -0.064 0.000 1.221 60 Y HN 0.141 nan 8.280 nan 0.000 0.486 61 V N -0.506 119.314 119.914 -0.156 0.000 3.147 61 V HA 1.082 5.202 4.120 -0.000 0.000 0.306 61 V C -0.539 175.385 176.094 -0.283 0.000 1.209 61 V CA -0.471 61.659 62.300 -0.283 0.000 1.023 61 V CB 1.636 33.216 31.823 -0.405 0.000 1.059 61 V HN 0.954 nan 8.190 nan 0.000 0.435 62 G N 0.871 109.458 108.800 -0.354 0.000 2.682 62 G HA2 0.746 4.706 3.960 -0.000 0.000 0.303 62 G HA3 0.746 4.706 3.960 -0.000 0.000 0.303 62 G C -3.490 171.251 174.900 -0.265 0.000 1.341 62 G CA -1.395 43.543 45.100 -0.270 0.000 0.784 62 G HN 0.687 nan 8.290 nan 0.000 0.497 63 P HA 0.143 nan 4.420 nan 0.000 0.265 63 P C 0.746 178.002 177.300 -0.072 0.000 1.187 63 P CA 2.096 65.140 63.100 -0.095 0.000 0.766 63 P CB 0.745 32.420 31.700 -0.042 0.000 0.820 64 T N -1.246 113.296 114.554 -0.019 0.000 6.412 64 T HA -0.282 4.068 4.350 -0.000 0.000 0.279 64 T C 0.231 174.902 174.700 -0.050 0.000 2.177 64 T CA 1.029 63.183 62.100 0.089 0.000 3.599 64 T CB -2.683 66.370 68.868 0.309 0.000 1.259 64 T HN 0.578 nan 8.240 nan 0.000 1.146 65 Q N 0.922 120.537 119.800 -0.308 0.000 3.035 65 Q HA 0.371 4.711 4.340 -0.000 0.000 0.354 65 Q C 0.915 176.790 176.000 -0.209 0.000 1.247 65 Q CA -0.518 54.998 55.803 -0.479 0.000 1.068 65 Q CB 0.292 28.566 28.738 -0.773 0.000 1.424 65 Q HN 0.490 nan 8.270 nan 0.000 0.486 66 N N 0.518 119.167 118.700 -0.085 0.000 2.409 66 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 66 N C 1.163 176.670 175.510 -0.004 0.000 1.032 66 N CA 0.765 53.801 53.050 -0.023 0.000 0.898 66 N CB 0.311 38.809 38.487 0.018 0.000 0.971 66 N HN 0.360 nan 8.380 nan 0.000 0.441 67 R N 0.535 121.033 120.500 -0.002 0.000 2.062 67 R HA 0.035 4.375 4.340 -0.000 0.000 0.229 67 R C 2.078 178.387 176.300 0.014 0.000 1.128 67 R CA 0.652 56.762 56.100 0.016 0.000 0.960 67 R CB -0.341 29.980 30.300 0.035 0.000 0.855 67 R HN 0.077 nan 8.270 nan 0.000 0.432 68 I N 1.285 121.860 120.570 0.008 0.000 2.286 68 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 68 I C 1.843 178.021 176.117 0.101 0.000 1.115 68 I CA 1.384 62.716 61.300 0.053 0.000 1.392 68 I CB -0.044 38.002 38.000 0.077 0.000 1.065 68 I HN 0.100 nan 8.210 nan 0.000 0.418 69 L N 0.115 121.379 121.223 0.069 0.000 1.994 69 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 69 L C 2.782 179.688 176.870 0.060 0.000 1.071 69 L CA 1.588 56.485 54.840 0.094 0.000 0.745 69 L CB -0.988 41.086 42.059 0.025 0.000 0.892 69 L HN 0.257 nan 8.230 nan 0.000 0.431 70 R N 0.870 121.387 120.500 0.028 0.000 2.097 70 R HA -0.239 4.101 4.340 -0.000 0.000 0.236 70 R C 2.333 178.632 176.300 -0.002 0.000 1.135 70 R CA 2.226 58.335 56.100 0.014 0.000 0.934 70 R CB -0.944 29.364 30.300 0.013 0.000 0.846 70 R HN 0.263 nan 8.270 nan 0.000 0.431 71 L N 1.013 122.231 121.223 -0.008 0.000 2.012 71 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 71 L C 2.430 179.255 176.870 -0.076 0.000 1.073 71 L CA 2.497 57.317 54.840 -0.033 0.000 0.748 71 L CB -0.914 41.127 42.059 -0.030 0.000 0.891 71 L HN 0.295 nan 8.230 nan 0.000 0.431 72 A N -0.808 121.947 122.820 -0.108 0.000 1.930 72 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 72 A C 2.448 179.941 177.584 -0.151 0.000 1.175 72 A CA 1.688 53.579 52.037 -0.243 0.000 0.627 72 A CB -0.581 18.097 19.000 -0.537 0.000 0.815 72 A HN 0.528 nan 8.150 nan 0.000 0.443 73 K N -0.084 120.285 120.400 -0.051 0.000 2.026 73 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 73 K C 2.033 178.613 176.600 -0.033 0.000 1.048 73 K CA 1.674 57.948 56.287 -0.021 0.000 0.929 73 K CB -0.233 32.274 32.500 0.011 0.000 0.713 73 K HN 0.576 nan 8.250 nan 0.000 0.439 74 E N 0.503 120.684 120.200 -0.033 0.000 2.171 74 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 74 E C 1.500 178.073 176.600 -0.045 0.000 0.997 74 E CA 1.049 57.430 56.400 -0.031 0.000 0.810 74 E CB -0.016 29.670 29.700 -0.024 0.000 0.738 74 E HN 0.381 nan 8.360 nan 0.000 0.467 75 L N -0.666 120.513 121.223 -0.073 0.000 2.612 75 L HA 0.210 4.550 4.340 -0.000 0.000 0.230 75 L C 1.274 178.093 176.870 -0.085 0.000 1.140 75 L CA 0.346 55.134 54.840 -0.085 0.000 0.896 75 L CB 0.264 42.253 42.059 -0.117 0.000 1.065 75 L HN 0.318 nan 8.230 nan 0.000 0.447 76 G N 0.461 109.220 108.800 -0.069 0.000 2.137 76 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.237 76 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.237 76 G C 0.022 174.886 174.900 -0.060 0.000 1.002 76 G CA -0.257 44.812 45.100 -0.052 0.000 0.702 76 G HN 0.221 nan 8.290 nan 0.000 0.515 77 L N -0.186 120.983 121.223 -0.091 0.000 2.360 77 L HA 0.729 5.069 4.340 -0.000 0.000 0.271 77 L C 0.611 177.489 176.870 0.015 0.000 1.057 77 L CA -0.709 54.072 54.840 -0.098 0.000 0.803 77 L CB 1.363 43.243 42.059 -0.298 0.000 1.207 77 L HN 0.150 nan 8.230 nan 0.000 0.445 78 E N 0.141 120.402 120.200 0.100 0.000 2.312 78 E HA 0.459 4.809 4.350 -0.000 0.000 0.267 78 E C -1.095 175.672 176.600 0.278 0.000 0.894 78 E CA -0.573 55.923 56.400 0.160 0.000 0.773 78 E CB 2.640 32.405 29.700 0.108 0.000 1.241 78 E HN 0.663 nan 8.360 nan 0.000 0.432 79 T N -0.955 113.718 114.554 0.198 0.000 2.940 79 T HA 0.625 4.975 4.350 -0.000 0.000 0.288 79 T C -0.692 174.092 174.700 0.140 0.000 1.033 79 T CA -0.721 61.435 62.100 0.094 0.000 1.033 79 T CB 0.762 69.577 68.868 -0.088 0.000 1.079 79 T HN 0.484 nan 8.240 nan 0.000 0.496 80 Y N -0.962 119.341 120.300 0.005 0.000 2.576 80 Y HA 0.754 5.304 4.550 0.000 0.000 0.346 80 Y C -0.550 175.352 175.900 0.003 0.000 1.018 80 Y CA -1.580 56.530 58.100 0.017 0.000 1.050 80 Y CB 1.395 39.881 38.460 0.044 0.000 1.280 80 Y HN 0.621 nan 8.280 nan 0.000 0.474 81 K N 2.086 122.520 120.400 0.056 0.000 2.322 81 K HA 0.394 4.714 4.320 -0.000 0.000 0.283 81 K C -0.807 175.812 176.600 0.031 0.000 1.042 81 K CA -0.630 55.643 56.287 -0.022 0.000 0.958 81 K CB 1.334 33.857 32.500 0.040 0.000 0.984 81 K HN 0.587 nan 8.250 nan 0.000 0.473 82 V N 3.446 123.324 119.914 -0.060 0.000 2.673 82 V HA -0.098 4.022 4.120 -0.000 0.000 0.303 82 V C 0.515 176.658 176.094 0.081 0.000 1.046 82 V CA -0.176 62.155 62.300 0.052 0.000 1.126 82 V CB 0.484 32.334 31.823 0.044 0.000 0.934 82 V HN 0.735 nan 8.190 nan 0.000 0.487 83 N N 4.013 122.788 118.700 0.126 0.000 2.434 83 N HA 0.010 4.750 4.740 -0.000 0.000 0.268 83 N C 0.279 175.817 175.510 0.048 0.000 1.256 83 N CA 0.593 53.702 53.050 0.100 0.000 0.914 83 N CB 0.231 38.800 38.487 0.137 0.000 1.088 83 N HN 0.806 nan 8.380 nan 0.000 0.478 84 E N 2.922 123.140 120.200 0.029 0.000 3.293 84 E HA 0.085 4.435 4.350 -0.000 0.000 0.174 84 E C 0.290 176.893 176.600 0.004 0.000 0.958 84 E CA -0.012 56.387 56.400 -0.002 0.000 1.352 84 E CB 0.340 30.026 29.700 -0.023 0.000 1.066 84 E HN 0.429 nan 8.360 nan 0.000 0.448 85 V N 0.573 120.500 119.914 0.023 0.000 2.283 85 V HA -0.156 3.964 4.120 -0.000 0.000 0.243 85 V C 0.913 177.016 176.094 0.016 0.000 1.039 85 V CA 1.623 63.935 62.300 0.020 0.000 1.016 85 V CB -0.043 31.795 31.823 0.024 0.000 0.650 85 V HN 0.236 nan 8.190 nan 0.000 0.449 86 E N -0.570 119.646 120.200 0.026 0.000 2.622 86 E HA 0.351 4.701 4.350 -0.000 0.000 0.255 86 E C 0.229 176.842 176.600 0.022 0.000 1.313 86 E CA -0.555 55.864 56.400 0.031 0.000 1.011 86 E CB 0.215 29.946 29.700 0.052 0.000 1.173 86 E HN 0.306 nan 8.360 nan 0.000 0.601 87 R N 0.233 120.763 120.500 0.050 0.000 2.594 87 R HA 0.219 4.559 4.340 -0.000 0.000 0.272 87 R C -0.461 175.806 176.300 -0.054 0.000 1.074 87 R CA -0.457 55.653 56.100 0.018 0.000 1.105 87 R CB 0.046 30.420 30.300 0.124 0.000 1.008 87 R HN 0.189 nan 8.270 nan 0.000 0.472 88 L N 2.662 123.672 121.223 -0.354 0.000 2.439 88 L HA 0.422 4.762 4.340 -0.000 0.000 0.259 88 L C 0.220 176.856 176.870 -0.391 0.000 1.129 88 L CA 0.053 54.577 54.840 -0.525 0.000 0.803 88 L CB 0.502 41.962 42.059 -0.999 0.000 1.161 88 L HN 0.457 nan 8.230 nan 0.000 0.462 89 I N 0.015 120.496 120.570 -0.148 0.000 2.498 89 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 89 I C -0.620 175.781 176.117 0.473 0.000 1.032 89 I CA -0.510 60.875 61.300 0.142 0.000 1.073 89 I CB 1.639 39.584 38.000 -0.092 0.000 1.251 89 I HN 0.550 nan 8.210 nan 0.000 0.426 90 H N 5.163 124.575 119.070 0.570 0.000 2.556 90 H HA 0.306 4.862 4.556 -0.000 0.000 0.310 90 H C -1.254 174.337 175.328 0.439 0.000 1.057 90 H CA -0.680 55.646 56.048 0.463 0.000 1.264 90 H CB 0.858 30.817 29.762 0.328 0.000 1.404 90 H HN 0.580 nan 8.280 nan 0.000 0.462 91 H N 4.491 123.706 119.070 0.242 0.000 2.581 91 H HA 0.354 4.910 4.556 -0.000 0.000 0.308 91 H C -1.392 173.944 175.328 0.013 0.000 1.040 91 H CA -0.356 55.761 56.048 0.115 0.000 1.231 91 H CB 0.699 30.528 29.762 0.110 0.000 1.396 91 H HN 0.330 nan 8.280 nan 0.000 0.467 92 V N 5.802 125.605 119.914 -0.185 0.000 2.760 92 V HA 0.245 4.365 4.120 -0.000 0.000 0.309 92 V C -0.610 175.427 176.094 -0.097 0.000 1.077 92 V CA -0.895 61.308 62.300 -0.162 0.000 0.910 92 V CB 1.349 32.976 31.823 -0.327 0.000 1.008 92 V HN 1.048 nan 8.190 nan 0.000 0.424 93 K N 4.757 125.120 120.400 -0.062 0.000 3.012 93 K HA -0.223 4.097 4.320 -0.000 0.000 0.259 93 K C 0.876 177.422 176.600 -0.090 0.000 0.989 93 K CA 0.893 57.159 56.287 -0.035 0.000 0.728 93 K CB -1.918 30.585 32.500 0.005 0.000 1.260 93 K HN 1.982 nan 8.250 nan 0.000 0.480 94 G N -0.165 108.486 108.800 -0.249 0.000 2.132 94 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.228 94 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.228 94 G C -0.255 174.426 174.900 -0.364 0.000 1.000 94 G CA 0.538 45.492 45.100 -0.244 0.000 0.693 94 G HN 0.326 nan 8.290 nan 0.000 0.515 95 K N -0.109 119.920 120.400 -0.619 0.000 2.498 95 K HA 0.556 4.876 4.320 -0.000 0.000 0.254 95 K C -0.772 175.555 176.600 -0.455 0.000 0.933 95 K CA -0.622 55.414 56.287 -0.419 0.000 0.806 95 K CB 1.901 34.169 32.500 -0.386 0.000 1.301 95 K HN 0.088 nan 8.250 nan 0.000 0.432 96 S N 1.757 117.323 115.700 -0.224 0.000 2.480 96 S HA 0.413 4.883 4.470 -0.000 0.000 0.286 96 S C -1.204 173.266 174.600 -0.217 0.000 1.180 96 S CA -0.472 57.721 58.200 -0.011 0.000 1.075 96 S CB 0.246 63.513 63.200 0.111 0.000 0.996 96 S HN 0.341 nan 8.310 nan 0.000 0.487 97 Y N 2.831 123.255 120.300 0.207 0.000 2.447 97 Y HA 0.357 4.907 4.550 -0.000 0.000 0.325 97 Y C -2.429 173.702 175.900 0.385 0.000 0.976 97 Y CA -2.416 55.840 58.100 0.261 0.000 1.280 97 Y CB 0.743 39.344 38.460 0.235 0.000 1.104 97 Y HN 0.456 nan 8.280 nan 0.000 0.486 98 P HA 0.308 nan 4.420 nan 0.000 0.274 98 P C -0.842 176.775 177.300 0.529 0.000 1.231 98 P CA -0.123 63.233 63.100 0.426 0.000 0.790 98 P CB 0.762 32.697 31.700 0.390 0.000 0.951 99 F N -1.567 118.520 119.950 0.229 0.000 2.741 99 F HA 0.673 5.200 4.527 0.000 0.000 0.313 99 F C -0.859 175.027 175.800 0.143 0.000 1.153 99 F CA -1.256 56.860 58.000 0.193 0.000 0.931 99 F CB 1.205 40.317 39.000 0.187 0.000 1.335 99 F HN 0.063 nan 8.300 nan 0.000 0.460 100 R N 0.754 121.412 120.500 0.263 0.000 3.006 100 R HA 0.805 5.145 4.340 -0.000 0.000 0.235 100 R C -0.009 176.436 176.300 0.242 0.000 1.362 100 R CA -0.747 55.423 56.100 0.117 0.000 1.067 100 R CB 1.147 31.505 30.300 0.098 0.000 1.396 100 R HN 1.431 nan 8.270 nan 0.000 0.504 101 G N 0.611 109.489 108.800 0.130 0.000 2.804 101 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.230 101 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.230 101 G C -2.061 172.939 174.900 0.166 0.000 1.386 101 G CA -0.229 44.952 45.100 0.135 0.000 0.875 101 G HN 0.470 nan 8.290 nan 0.000 0.557 102 P HA 0.259 nan 4.420 nan 0.000 0.229 102 P C 0.567 177.846 177.300 -0.035 0.000 1.160 102 P CA 0.543 63.635 63.100 -0.015 0.000 0.855 102 P CB 0.434 32.007 31.700 -0.213 0.000 0.898 103 F N 2.114 122.064 119.950 -0.000 0.000 2.408 103 F HA 0.391 4.918 4.527 -0.000 0.000 0.344 103 F C -1.838 173.788 175.800 -0.290 0.000 1.112 103 F CA -2.852 55.048 58.000 -0.167 0.000 1.096 103 F CB 0.921 39.765 39.000 -0.259 0.000 1.129 103 F HN -0.216 nan 8.300 nan 0.000 0.486 104 P HA 0.116 nan 4.420 nan 0.000 0.271 104 P C -2.505 174.474 177.300 -0.536 0.000 1.220 104 P CA -1.031 61.440 63.100 -1.047 0.000 0.768 104 P CB -0.080 31.078 31.700 -0.904 0.000 0.848 105 P HA 0.204 nan 4.420 nan 0.000 0.277 105 P C -1.072 175.855 177.300 -0.620 0.000 1.240 105 P CA -0.284 62.504 63.100 -0.521 0.000 0.798 105 P CB 0.940 32.271 31.700 -0.615 0.000 0.979 106 V N 3.391 122.928 119.914 -0.628 0.000 2.531 106 V HA 0.361 4.481 4.120 -0.000 0.000 0.301 106 V C -0.377 175.459 176.094 -0.429 0.000 1.034 106 V CA -0.508 61.492 62.300 -0.500 0.000 0.865 106 V CB 1.359 32.883 31.823 -0.499 0.000 0.995 106 V HN 0.578 nan 8.190 nan 0.000 0.424 107 W N 3.024 124.291 121.300 -0.055 0.000 2.630 107 W HA 0.274 4.934 4.660 -0.000 0.000 0.275 107 W C 1.347 177.850 176.519 -0.028 0.000 1.192 107 W CA 0.071 57.391 57.345 -0.043 0.000 1.410 107 W CB -0.023 29.410 29.460 -0.044 0.000 1.075 107 W HN 0.589 nan 8.180 nan 0.000 0.581 108 N N 2.406 121.218 118.700 0.185 0.000 2.412 108 N HA -0.059 4.681 4.740 -0.000 0.000 0.258 108 N C -1.734 173.841 175.510 0.109 0.000 1.236 108 N CA -0.284 52.837 53.050 0.118 0.000 0.882 108 N CB 1.406 39.944 38.487 0.084 0.000 1.066 108 N HN -0.127 nan 8.380 nan 0.000 0.465 109 P HA -0.070 nan 4.420 nan 0.000 0.216 109 P C 1.519 178.889 177.300 0.117 0.000 1.153 109 P CA 0.691 63.844 63.100 0.090 0.000 0.844 109 P CB 0.314 32.044 31.700 0.051 0.000 0.787 110 I N -0.527 120.092 120.570 0.083 0.000 2.202 110 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 110 I C 1.970 178.134 176.117 0.079 0.000 1.091 110 I CA 1.831 63.170 61.300 0.066 0.000 1.368 110 I CB -2.147 35.884 38.000 0.052 0.000 1.058 110 I HN 0.013 nan 8.210 nan 0.000 0.410 111 T N 0.465 115.075 114.554 0.092 0.000 2.746 111 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 111 T C 1.910 176.666 174.700 0.094 0.000 1.039 111 T CA 1.447 63.613 62.100 0.110 0.000 1.142 111 T CB -0.763 68.151 68.868 0.077 0.000 0.866 111 T HN 0.311 nan 8.240 nan 0.000 0.444 112 Y N 1.918 122.195 120.300 -0.039 0.000 2.151 112 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 112 Y C 1.986 177.877 175.900 -0.014 0.000 1.166 112 Y CA 1.281 59.336 58.100 -0.075 0.000 1.163 112 Y CB -0.494 37.912 38.460 -0.089 0.000 0.974 112 Y HN 0.134 nan 8.280 nan 0.000 0.511 113 L N -0.417 120.806 121.223 -0.001 0.000 2.156 113 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 113 L C 2.040 178.844 176.870 -0.111 0.000 1.095 113 L CA 1.552 56.355 54.840 -0.061 0.000 0.770 113 L CB -0.500 41.566 42.059 0.012 0.000 0.914 113 L HN 0.223 nan 8.230 nan 0.000 0.439 114 D N -0.943 119.427 120.400 -0.050 0.000 2.137 114 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 114 D C 2.195 178.434 176.300 -0.102 0.000 0.970 114 D CA 1.094 55.068 54.000 -0.043 0.000 0.837 114 D CB 0.124 40.934 40.800 0.016 0.000 0.981 114 D HN 0.260 nan 8.370 nan 0.000 0.475 115 H N -0.402 118.542 119.070 -0.211 0.000 2.293 115 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 115 H C 1.965 177.148 175.328 -0.243 0.000 1.082 115 H CA 1.511 57.411 56.048 -0.245 0.000 1.308 115 H CB -0.221 29.418 29.762 -0.206 0.000 1.375 115 H HN 0.183 nan 8.280 nan 0.000 0.495 116 N N 0.996 119.549 118.700 -0.246 0.000 2.069 116 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 116 N C 1.746 177.165 175.510 -0.153 0.000 1.031 116 N CA 1.449 54.331 53.050 -0.280 0.000 0.852 116 N CB -0.276 37.927 38.487 -0.473 0.000 1.018 116 N HN 0.291 nan 8.380 nan 0.000 0.423 117 N N -0.838 117.774 118.700 -0.147 0.000 2.331 117 N HA -0.167 4.573 4.740 -0.000 0.000 0.180 117 N C 1.672 177.109 175.510 -0.122 0.000 1.019 117 N CA 0.601 53.580 53.050 -0.119 0.000 0.881 117 N CB -0.251 38.175 38.487 -0.102 0.000 0.972 117 N HN 0.312 nan 8.380 nan 0.000 0.435 118 F N 0.840 120.596 119.950 -0.323 0.000 2.060 118 F HA -0.074 4.453 4.527 -0.000 0.000 0.295 118 F C 1.756 177.310 175.800 -0.409 0.000 1.120 118 F CA 1.622 59.357 58.000 -0.442 0.000 1.205 118 F CB -0.934 37.645 39.000 -0.702 0.000 0.986 118 F HN 0.017 nan 8.300 nan 0.000 0.470 119 W N 0.715 121.769 121.300 -0.409 0.000 2.318 119 W HA -0.180 4.480 4.660 -0.000 0.000 0.313 119 W C 2.780 179.071 176.519 -0.380 0.000 1.221 119 W CA 1.526 58.583 57.345 -0.480 0.000 1.266 119 W CB -0.753 28.491 29.460 -0.359 0.000 1.150 119 W HN -0.040 nan 8.180 nan 0.000 0.496 120 R N 0.093 120.552 120.500 -0.068 0.000 2.127 120 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 120 R C 1.755 177.963 176.300 -0.154 0.000 1.134 120 R CA 1.963 58.000 56.100 -0.104 0.000 0.975 120 R CB -0.474 29.760 30.300 -0.110 0.000 0.865 120 R HN 0.099 nan 8.270 nan 0.000 0.447 121 T N 0.965 115.383 114.554 -0.226 0.000 2.851 121 T HA -0.038 4.312 4.350 -0.000 0.000 0.262 121 T C 1.821 176.356 174.700 -0.275 0.000 1.043 121 T CA 0.863 62.830 62.100 -0.221 0.000 1.140 121 T CB -0.008 68.741 68.868 -0.199 0.000 0.872 121 T HN 0.106 nan 8.240 nan 0.000 0.446 122 M N 1.935 121.287 119.600 -0.412 0.000 2.147 122 M HA -0.182 4.298 4.480 -0.000 0.000 0.253 122 M C 1.758 177.949 176.300 -0.182 0.000 1.075 122 M CA 1.758 56.863 55.300 -0.325 0.000 1.085 122 M CB -1.153 31.245 32.600 -0.336 0.000 1.305 122 M HN 0.193 nan 8.290 nan 0.000 0.409 123 D N -0.073 120.242 120.400 -0.141 0.000 2.162 123 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 123 D C 1.641 177.886 176.300 -0.091 0.000 0.967 123 D CA 0.863 54.801 54.000 -0.102 0.000 0.840 123 D CB -0.254 40.499 40.800 -0.079 0.000 0.972 123 D HN 0.301 nan 8.370 nan 0.000 0.482 124 D N 0.490 120.834 120.400 -0.093 0.000 2.092 124 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 124 D C 2.183 178.476 176.300 -0.012 0.000 0.994 124 D CA 0.815 54.782 54.000 -0.056 0.000 0.828 124 D CB -0.274 40.491 40.800 -0.058 0.000 0.963 124 D HN 0.215 nan 8.370 nan 0.000 0.450 125 M N 0.363 119.928 119.600 -0.058 0.000 2.149 125 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 125 M C 2.313 178.659 176.300 0.078 0.000 1.064 125 M CA 1.713 56.995 55.300 -0.029 0.000 1.102 125 M CB -0.477 31.838 32.600 -0.475 0.000 1.369 125 M HN 0.055 nan 8.290 nan 0.000 0.408 126 G N 0.235 109.018 108.800 -0.027 0.000 2.469 126 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 126 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 126 G C 1.552 176.452 174.900 0.001 0.000 1.150 126 G CA 0.745 45.831 45.100 -0.024 0.000 0.763 126 G HN 0.413 nan 8.290 nan 0.000 0.561 127 R N 0.253 120.748 120.500 -0.010 0.000 2.303 127 R HA -0.036 4.304 4.340 -0.000 0.000 0.225 127 R C 1.478 177.783 176.300 0.008 0.000 1.114 127 R CA 0.929 57.018 56.100 -0.018 0.000 1.007 127 R CB 0.052 30.337 30.300 -0.026 0.000 0.861 127 R HN 0.318 nan 8.270 nan 0.000 0.471 128 E N 0.011 120.256 120.200 0.074 0.000 2.481 128 E HA 0.137 4.487 4.350 -0.000 0.000 0.198 128 E C 0.040 176.665 176.600 0.043 0.000 1.027 128 E CA 0.203 56.636 56.400 0.056 0.000 0.900 128 E CB 0.585 30.343 29.700 0.097 0.000 0.993 128 E HN 0.288 nan 8.360 nan 0.000 0.482 129 I N 2.942 123.555 120.570 0.073 0.000 2.328 129 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 129 I C -2.420 173.693 176.117 -0.007 0.000 1.012 129 I CA -2.336 59.002 61.300 0.062 0.000 1.195 129 I CB 1.458 39.559 38.000 0.167 0.000 1.350 129 I HN -0.347 nan 8.210 nan 0.000 0.464 130 P HA 0.082 nan 4.420 nan 0.000 0.263 130 P C 0.517 177.777 177.300 -0.066 0.000 1.195 130 P CA 0.273 63.296 63.100 -0.128 0.000 0.762 130 P CB 0.868 32.435 31.700 -0.221 0.000 0.799 131 S N 2.008 117.682 115.700 -0.044 0.000 2.382 131 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 131 S C 1.242 175.922 174.600 0.133 0.000 1.027 131 S CA 1.704 59.943 58.200 0.065 0.000 0.991 131 S CB -0.479 62.660 63.200 -0.102 0.000 0.823 131 S HN 0.665 nan 8.310 nan 0.000 0.469 132 D N 0.069 120.408 120.400 -0.102 0.000 2.349 132 D HA 0.313 4.953 4.640 -0.000 0.000 0.214 132 D C 0.142 176.223 176.300 -0.365 0.000 1.063 132 D CA 0.204 54.105 54.000 -0.164 0.000 0.847 132 D CB 0.235 40.875 40.800 -0.267 0.000 0.933 132 D HN 0.237 nan 8.370 nan 0.000 0.513 133 A N 1.270 123.697 122.820 -0.656 0.000 2.770 133 A HA 0.403 4.723 4.320 -0.000 0.000 0.295 133 A C -2.427 174.401 177.584 -1.260 0.000 1.256 133 A CA -0.794 50.331 52.037 -1.521 0.000 0.870 133 A CB 1.142 19.530 19.000 -1.021 0.000 1.451 133 A HN -0.140 nan 8.150 nan 0.000 0.505 134 P HA -0.110 nan 4.420 nan 0.000 0.221 134 P C 1.217 178.301 177.300 -0.361 0.000 1.150 134 P CA 1.215 63.993 63.100 -0.537 0.000 0.800 134 P CB -0.329 31.063 31.700 -0.513 0.000 0.787 135 W N 0.551 121.777 121.300 -0.123 0.000 2.662 135 W HA 0.085 4.745 4.660 -0.000 0.000 0.249 135 W C 1.161 177.634 176.519 -0.076 0.000 1.251 135 W CA 0.399 57.691 57.345 -0.088 0.000 1.277 135 W CB -1.432 27.971 29.460 -0.096 0.000 1.140 135 W HN -0.060 nan 8.180 nan 0.000 0.645 136 K N 0.400 120.654 120.400 -0.243 0.000 2.374 136 K HA 0.367 4.687 4.320 -0.000 0.000 0.202 136 K C 0.985 177.497 176.600 -0.147 0.000 1.040 136 K CA 0.006 56.202 56.287 -0.153 0.000 1.085 136 K CB 0.246 32.618 32.500 -0.213 0.000 0.873 136 K HN 0.064 nan 8.250 nan 0.000 0.539 137 A N 2.126 124.857 122.820 -0.149 0.000 2.587 137 A HA 0.025 4.345 4.320 -0.000 0.000 0.233 137 A C -1.657 175.802 177.584 -0.208 0.000 1.049 137 A CA -0.760 51.183 52.037 -0.156 0.000 0.754 137 A CB -0.020 18.909 19.000 -0.119 0.000 0.977 137 A HN 0.025 nan 8.150 nan 0.000 0.509 138 P HA -0.125 nan 4.420 nan 0.000 0.216 138 P C 0.489 177.586 177.300 -0.338 0.000 1.150 138 P CA 1.246 64.200 63.100 -0.244 0.000 0.843 138 P CB 0.059 31.625 31.700 -0.223 0.000 0.787 139 L N -2.348 118.511 121.223 -0.606 0.000 3.062 139 L HA 0.367 4.707 4.340 -0.000 0.000 0.255 139 L C 1.711 178.168 176.870 -0.688 0.000 1.274 139 L CA -0.284 54.102 54.840 -0.757 0.000 1.047 139 L CB -0.295 41.040 42.059 -1.207 0.000 1.402 139 L HN -0.100 nan 8.230 nan 0.000 0.550 140 A N 0.352 122.963 122.820 -0.349 0.000 1.908 140 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 140 A C 2.150 179.739 177.584 0.009 0.000 1.181 140 A CA 1.531 53.504 52.037 -0.107 0.000 0.627 140 A CB -0.072 18.912 19.000 -0.026 0.000 0.818 140 A HN 0.497 nan 8.150 nan 0.000 0.445 141 E N -0.763 119.423 120.200 -0.024 0.000 2.046 141 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 141 E C 2.062 178.700 176.600 0.063 0.000 0.982 141 E CA 0.998 57.417 56.400 0.032 0.000 0.800 141 E CB -0.264 29.440 29.700 0.007 0.000 0.756 141 E HN 0.802 nan 8.360 nan 0.000 0.449 142 E N 0.134 120.338 120.200 0.008 0.000 2.097 142 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 142 E C 1.603 178.377 176.600 0.290 0.000 1.000 142 E CA 1.188 57.639 56.400 0.086 0.000 0.804 142 E CB 0.040 29.744 29.700 0.007 0.000 0.740 142 E HN 0.299 nan 8.360 nan 0.000 0.454 143 W N 0.527 121.865 121.300 0.063 0.000 2.523 143 W HA 0.034 4.694 4.660 -0.000 0.000 0.278 143 W C 1.859 178.443 176.519 0.108 0.000 1.236 143 W CA 0.531 57.926 57.345 0.082 0.000 1.306 143 W CB -0.876 28.632 29.460 0.081 0.000 1.101 143 W HN 0.186 nan 8.180 nan 0.000 0.577 144 D N -0.314 120.279 120.400 0.322 0.000 2.277 144 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 144 D C 1.374 177.798 176.300 0.206 0.000 0.962 144 D CA 0.959 55.113 54.000 0.256 0.000 0.865 144 D CB -0.155 40.771 40.800 0.210 0.000 0.939 144 D HN -0.163 nan 8.370 nan 0.000 0.510 145 N N -0.205 118.603 118.700 0.181 0.000 2.336 145 N HA 0.107 4.846 4.740 -0.000 0.000 0.189 145 N C 0.075 175.661 175.510 0.127 0.000 1.113 145 N CA 0.152 53.284 53.050 0.136 0.000 0.858 145 N CB 0.123 38.675 38.487 0.108 0.000 0.970 145 N HN 0.473 nan 8.380 nan 0.000 0.471 146 M N -1.376 118.313 119.600 0.148 0.000 2.724 146 M HA 0.515 4.995 4.480 -0.000 0.000 0.310 146 M C 0.166 176.537 176.300 0.118 0.000 1.217 146 M CA -0.803 54.568 55.300 0.118 0.000 0.894 146 M CB 1.728 34.397 32.600 0.114 0.000 1.719 146 M HN -0.151 nan 8.290 nan 0.000 0.479 147 T N -1.711 112.895 114.554 0.086 0.000 2.884 147 T HA 0.367 4.717 4.350 -0.000 0.000 0.277 147 T C 0.888 175.617 174.700 0.049 0.000 0.976 147 T CA -0.923 61.227 62.100 0.083 0.000 0.956 147 T CB 0.996 69.904 68.868 0.067 0.000 1.113 147 T HN 0.756 nan 8.240 nan 0.000 0.554 148 M N 0.062 119.671 119.600 0.016 0.000 2.476 148 M HA 0.090 4.570 4.480 -0.000 0.000 0.262 148 M C 2.043 178.299 176.300 -0.073 0.000 1.079 148 M CA 1.092 56.364 55.300 -0.046 0.000 1.104 148 M CB -1.023 31.476 32.600 -0.169 0.000 1.409 148 M HN 0.811 nan 8.290 nan 0.000 0.467 149 K N 0.627 120.993 120.400 -0.056 0.000 2.031 149 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 149 K C 1.541 178.115 176.600 -0.044 0.000 1.049 149 K CA 1.154 57.407 56.287 -0.057 0.000 0.939 149 K CB 0.093 32.582 32.500 -0.018 0.000 0.717 149 K HN 0.317 nan 8.250 nan 0.000 0.438 150 E N 0.816 121.006 120.200 -0.017 0.000 2.070 150 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 150 E C 1.998 178.584 176.600 -0.023 0.000 1.004 150 E CA 1.386 57.777 56.400 -0.014 0.000 0.805 150 E CB -0.170 29.539 29.700 0.014 0.000 0.744 150 E HN 0.184 nan 8.360 nan 0.000 0.451 151 L N 0.803 122.014 121.223 -0.019 0.000 2.201 151 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 151 L C 1.914 178.769 176.870 -0.024 0.000 1.105 151 L CA 1.352 56.177 54.840 -0.024 0.000 0.775 151 L CB -0.052 41.983 42.059 -0.039 0.000 0.913 151 L HN 0.117 nan 8.230 nan 0.000 0.440 152 L N -1.315 119.874 121.223 -0.056 0.000 2.095 152 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 152 L C 2.129 178.916 176.870 -0.138 0.000 1.080 152 L CA 0.844 55.615 54.840 -0.115 0.000 0.759 152 L CB -0.726 41.224 42.059 -0.181 0.000 0.914 152 L HN 0.208 nan 8.230 nan 0.000 0.439 153 D N 0.421 120.749 120.400 -0.121 0.000 2.158 153 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 153 D C 2.054 178.259 176.300 -0.160 0.000 0.995 153 D CA 1.343 55.258 54.000 -0.141 0.000 0.846 153 D CB 0.033 40.766 40.800 -0.112 0.000 0.941 153 D HN 0.214 nan 8.370 nan 0.000 0.456 154 K N -0.358 119.982 120.400 -0.100 0.000 2.103 154 K HA -0.053 4.266 4.320 -0.000 0.000 0.204 154 K C 1.919 178.508 176.600 -0.019 0.000 1.052 154 K CA 0.434 56.679 56.287 -0.070 0.000 0.945 154 K CB 0.075 32.568 32.500 -0.013 0.000 0.722 154 K HN -0.036 nan 8.250 nan 0.000 0.443 155 L N 0.153 121.380 121.223 0.008 0.000 2.253 155 L HA 0.121 4.461 4.340 -0.000 0.000 0.205 155 L C -0.073 176.885 176.870 0.146 0.000 1.078 155 L CA 0.612 55.516 54.840 0.106 0.000 0.805 155 L CB 0.465 42.594 42.059 0.117 0.000 0.963 155 L HN 0.088 nan 8.230 nan 0.000 0.459 156 C N -0.282 119.006 119.300 -0.020 0.000 2.246 156 C HA 0.142 4.601 4.460 -0.000 0.000 0.329 156 C C 0.732 175.710 174.990 -0.021 0.000 1.221 156 C CA -0.888 58.087 59.018 -0.073 0.000 1.697 156 C CB -1.199 26.369 27.740 -0.287 0.000 2.312 156 C HN 0.546 nan 8.230 nan 0.000 0.509 157 W N 2.083 123.312 121.300 -0.118 0.000 3.180 157 W HA 0.123 4.783 4.660 -0.000 0.000 0.254 157 W C 1.391 177.866 176.519 -0.073 0.000 1.318 157 W CA 0.143 57.441 57.345 -0.078 0.000 1.608 157 W CB -0.180 29.248 29.460 -0.053 0.000 1.124 157 W HN 0.673 nan 8.180 nan 0.000 0.694 158 T N -4.027 110.566 114.554 0.065 0.000 2.893 158 T HA 0.303 4.653 4.350 -0.000 0.000 0.291 158 T C 0.720 175.390 174.700 -0.050 0.000 1.028 158 T CA -0.669 61.445 62.100 0.023 0.000 0.995 158 T CB 2.676 71.578 68.868 0.056 0.000 1.051 158 T HN -0.222 nan 8.240 nan 0.000 0.470 159 E N 1.001 121.180 120.200 -0.034 0.000 2.152 159 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 159 E C 2.118 178.690 176.600 -0.045 0.000 0.983 159 E CA 1.037 57.405 56.400 -0.053 0.000 0.818 159 E CB -0.288 29.394 29.700 -0.030 0.000 0.758 159 E HN 0.720 nan 8.360 nan 0.000 0.467 160 S N 0.857 116.562 115.700 0.007 0.000 2.359 160 S HA -0.216 4.254 4.470 -0.000 0.000 0.222 160 S C 2.101 176.708 174.600 0.012 0.000 1.038 160 S CA 1.790 60.039 58.200 0.081 0.000 1.051 160 S CB -0.120 63.184 63.200 0.174 0.000 0.944 160 S HN 0.300 nan 8.310 nan 0.000 0.433 161 A N 1.047 123.748 122.820 -0.198 0.000 1.969 161 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 161 A C 2.176 179.375 177.584 -0.642 0.000 1.169 161 A CA 1.688 53.250 52.037 -0.791 0.000 0.635 161 A CB -0.626 17.872 19.000 -0.837 0.000 0.810 161 A HN 0.655 nan 8.150 nan 0.000 0.445 162 K N -0.502 119.649 120.400 -0.415 0.000 2.057 162 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 162 K C 2.209 178.647 176.600 -0.271 0.000 1.050 162 K CA 1.409 57.463 56.287 -0.388 0.000 0.935 162 K CB -0.201 32.142 32.500 -0.263 0.000 0.715 162 K HN 0.600 nan 8.250 nan 0.000 0.439 163 Q N 0.370 120.078 119.800 -0.153 0.000 2.061 163 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 163 Q C 2.157 178.150 176.000 -0.013 0.000 0.984 163 Q CA 1.438 57.211 55.803 -0.050 0.000 0.846 163 Q CB -0.086 28.662 28.738 0.017 0.000 0.902 163 Q HN 0.233 nan 8.270 nan 0.000 0.421 164 L N 0.300 121.507 121.223 -0.026 0.000 2.056 164 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 164 L C 2.090 178.996 176.870 0.060 0.000 1.078 164 L CA 1.960 56.853 54.840 0.089 0.000 0.749 164 L CB -0.714 41.448 42.059 0.173 0.000 0.901 164 L HN 0.097 nan 8.230 nan 0.000 0.433 165 A N -1.749 120.917 122.820 -0.256 0.000 1.972 165 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 165 A C 2.214 179.778 177.584 -0.033 0.000 1.169 165 A CA 2.058 53.908 52.037 -0.312 0.000 0.635 165 A CB -1.026 17.268 19.000 -1.177 0.000 0.810 165 A HN 0.504 nan 8.150 nan 0.000 0.446 166 T N -0.052 114.450 114.554 -0.086 0.000 2.857 166 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 166 T C 1.833 176.557 174.700 0.039 0.000 1.048 166 T CA 1.172 63.239 62.100 -0.054 0.000 1.139 166 T CB -0.295 68.531 68.868 -0.069 0.000 0.874 166 T HN 0.426 nan 8.240 nan 0.000 0.455 167 L N 0.208 121.505 121.223 0.124 0.000 1.994 167 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 167 L C 2.243 179.260 176.870 0.246 0.000 1.071 167 L CA 1.501 56.452 54.840 0.185 0.000 0.745 167 L CB -0.444 41.753 42.059 0.231 0.000 0.892 167 L HN 0.163 nan 8.230 nan 0.000 0.431 168 F N 0.194 120.243 119.950 0.166 0.000 2.045 168 F HA -0.322 4.205 4.527 -0.000 0.000 0.297 168 F C 2.200 178.118 175.800 0.197 0.000 1.114 168 F CA 2.328 60.473 58.000 0.241 0.000 1.207 168 F CB -0.947 38.319 39.000 0.442 0.000 0.964 168 F HN -0.080 nan 8.300 nan 0.000 0.486 169 V N 0.855 120.763 119.914 -0.010 0.000 2.255 169 V HA -0.386 3.734 4.120 -0.000 0.000 0.247 169 V C 2.132 178.137 176.094 -0.147 0.000 1.051 169 V CA 2.476 64.593 62.300 -0.305 0.000 1.018 169 V CB -1.039 30.487 31.823 -0.495 0.000 0.641 169 V HN 0.438 nan 8.190 nan 0.000 0.445 170 N N -0.034 118.616 118.700 -0.084 0.000 2.094 170 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 170 N C 1.748 177.232 175.510 -0.044 0.000 1.023 170 N CA 1.476 54.490 53.050 -0.059 0.000 0.857 170 N CB -0.220 38.270 38.487 0.005 0.000 1.013 170 N HN 0.370 nan 8.380 nan 0.000 0.426 171 L N 0.515 121.741 121.223 0.005 0.000 2.131 171 L HA 0.023 4.363 4.340 -0.000 0.000 0.206 171 L C 1.979 178.870 176.870 0.034 0.000 1.087 171 L CA 1.406 56.257 54.840 0.017 0.000 0.767 171 L CB -0.431 41.640 42.059 0.019 0.000 0.917 171 L HN 0.190 nan 8.230 nan 0.000 0.441 172 C N -1.353 117.948 119.300 0.003 0.000 2.457 172 C HA 0.037 4.497 4.460 -0.000 0.000 0.278 172 C C 2.260 177.330 174.990 0.133 0.000 1.309 172 C CA 0.833 59.905 59.018 0.091 0.000 1.735 172 C CB -0.434 27.285 27.740 -0.035 0.000 1.992 172 C HN 0.571 nan 8.230 nan 0.000 0.493 173 V N -2.088 117.819 119.914 -0.011 0.000 3.330 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.309 173 V C 0.775 176.743 176.094 -0.209 0.000 1.481 173 V CA 0.818 63.084 62.300 -0.058 0.000 1.068 173 V CB -1.304 30.625 31.823 0.177 0.000 0.935 173 V HN 0.523 nan 8.190 nan 0.000 0.453 174 T N -1.262 113.103 114.554 -0.315 0.000 3.795 174 T HA -0.056 4.294 4.350 -0.000 0.000 0.370 174 T C 0.037 174.601 174.700 -0.227 0.000 0.761 174 T CA 1.316 63.217 62.100 -0.332 0.000 1.923 174 T CB -2.574 65.957 68.868 -0.563 0.000 1.795 174 T HN 2.474 nan 8.240 nan 0.000 0.762 175 A N 0.025 122.696 122.820 -0.248 0.000 2.594 175 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 175 A C -0.413 176.979 177.584 -0.321 0.000 1.105 175 A CA -1.071 50.748 52.037 -0.363 0.000 0.694 175 A CB 1.227 19.792 19.000 -0.726 0.000 1.291 175 A HN 0.429 nan 8.150 nan 0.000 0.410 176 E N 0.583 120.551 120.200 -0.387 0.000 2.349 176 E HA 0.239 4.589 4.350 -0.000 0.000 0.265 176 E C 1.140 177.415 176.600 -0.542 0.000 1.064 176 E CA 0.479 56.568 56.400 -0.517 0.000 0.886 176 E CB 0.965 30.128 29.700 -0.896 0.000 1.036 176 E HN 0.812 nan 8.360 nan 0.000 0.413 177 T N -0.836 113.450 114.554 -0.446 0.000 2.708 177 T HA -0.249 4.101 4.350 -0.000 0.000 0.266 177 T C 1.684 176.235 174.700 -0.249 0.000 1.037 177 T CA 1.821 63.733 62.100 -0.313 0.000 1.146 177 T CB -0.646 68.082 68.868 -0.233 0.000 0.865 177 T HN 0.667 nan 8.240 nan 0.000 0.435 178 H N 1.558 120.569 119.070 -0.098 0.000 2.431 178 H HA -0.093 4.463 4.556 -0.000 0.000 0.297 178 H C 1.786 177.078 175.328 -0.060 0.000 1.115 178 H CA 1.711 57.717 56.048 -0.070 0.000 1.277 178 H CB -0.534 29.187 29.762 -0.067 0.000 1.372 178 H HN 0.536 nan 8.280 nan 0.000 0.516 179 E N 1.237 121.336 120.200 -0.167 0.000 2.158 179 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 179 E C 1.127 177.698 176.600 -0.049 0.000 0.982 179 E CA 0.785 57.136 56.400 -0.082 0.000 0.823 179 E CB 0.436 29.955 29.700 -0.301 0.000 0.766 179 E HN 0.423 nan 8.360 nan 0.000 0.468 180 V N -1.526 118.344 119.914 -0.073 0.000 2.975 180 V HA 0.408 4.528 4.120 -0.000 0.000 0.318 180 V C 0.058 176.277 176.094 0.208 0.000 1.077 180 V CA -1.169 61.189 62.300 0.096 0.000 1.000 180 V CB 1.820 33.782 31.823 0.231 0.000 1.066 180 V HN -0.080 nan 8.190 nan 0.000 0.452 181 S N 1.364 117.270 115.700 0.342 0.000 2.545 181 S HA 0.540 5.010 4.470 -0.000 0.000 0.275 181 S C 1.361 176.197 174.600 0.394 0.000 1.299 181 S CA 0.026 58.433 58.200 0.345 0.000 1.048 181 S CB 0.974 64.423 63.200 0.414 0.000 0.938 181 S HN 1.599 nan 8.310 nan 0.000 0.496 182 A N 4.786 127.765 122.820 0.264 0.000 1.908 182 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 182 A C 1.982 179.721 177.584 0.259 0.000 1.181 182 A CA 1.869 54.026 52.037 0.200 0.000 0.627 182 A CB -0.858 18.186 19.000 0.072 0.000 0.818 182 A HN 0.959 nan 8.150 nan 0.000 0.445 183 L N -1.865 119.559 121.223 0.336 0.000 2.044 183 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 183 L C 2.220 179.311 176.870 0.368 0.000 1.075 183 L CA 2.247 57.312 54.840 0.374 0.000 0.747 183 L CB -0.656 41.649 42.059 0.410 0.000 0.903 183 L HN 0.615 nan 8.230 nan 0.000 0.435 184 W N -0.144 121.299 121.300 0.239 0.000 2.335 184 W HA -0.318 4.342 4.660 -0.000 0.000 0.311 184 W C 2.293 179.059 176.519 0.412 0.000 1.213 184 W CA 2.261 59.764 57.345 0.263 0.000 1.274 184 W CB -0.634 28.966 29.460 0.234 0.000 1.148 184 W HN 0.308 nan 8.180 nan 0.000 0.498 185 F N 0.420 120.438 119.950 0.113 0.000 2.259 185 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 185 F C 1.989 177.708 175.800 -0.136 0.000 1.088 185 F CA 1.724 59.588 58.000 -0.227 0.000 1.358 185 F CB -0.468 38.560 39.000 0.047 0.000 1.040 185 F HN -0.172 nan 8.300 nan 0.000 0.505 186 L N -1.254 119.996 121.223 0.045 0.000 2.156 186 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 186 L C 2.209 179.014 176.870 -0.109 0.000 1.095 186 L CA 1.267 56.083 54.840 -0.040 0.000 0.770 186 L CB -0.795 41.252 42.059 -0.019 0.000 0.914 186 L HN 0.444 nan 8.230 nan 0.000 0.439 187 W N -0.066 121.093 121.300 -0.235 0.000 2.378 187 W HA -0.275 4.385 4.660 -0.000 0.000 0.313 187 W C 2.584 178.871 176.519 -0.387 0.000 1.197 187 W CA 1.341 58.527 57.345 -0.265 0.000 1.304 187 W CB -0.637 28.694 29.460 -0.215 0.000 1.148 187 W HN 0.064 nan 8.180 nan 0.000 0.494 188 Y N 0.821 120.675 120.300 -0.744 0.000 2.069 188 Y HA -0.371 4.179 4.550 -0.000 0.000 0.278 188 Y C 2.440 177.786 175.900 -0.923 0.000 1.175 188 Y CA 3.248 60.705 58.100 -1.070 0.000 1.134 188 Y CB -0.955 36.807 38.460 -1.163 0.000 0.965 188 Y HN -0.132 nan 8.280 nan 0.000 0.498 189 V N 0.739 120.227 119.914 -0.711 0.000 2.307 189 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 189 V C 2.501 178.265 176.094 -0.551 0.000 1.045 189 V CA 2.194 64.165 62.300 -0.548 0.000 1.024 189 V CB -0.692 30.929 31.823 -0.336 0.000 0.651 189 V HN 0.333 nan 8.190 nan 0.000 0.449 190 K N 0.944 121.043 120.400 -0.502 0.000 2.044 190 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 190 K C 2.084 178.327 176.600 -0.595 0.000 1.049 190 K CA 2.494 58.511 56.287 -0.451 0.000 0.927 190 K CB -0.262 32.035 32.500 -0.337 0.000 0.713 190 K HN 0.725 nan 8.250 nan 0.000 0.443 191 Q N -0.864 118.423 119.800 -0.855 0.000 2.515 191 Q HA -0.006 4.334 4.340 -0.000 0.000 0.212 191 Q C 1.173 176.652 176.000 -0.868 0.000 0.970 191 Q CA 0.833 56.127 55.803 -0.848 0.000 0.941 191 Q CB -0.362 27.665 28.738 -1.185 0.000 0.998 191 Q HN 0.163 nan 8.270 nan 0.000 0.518 192 C N -0.463 118.202 119.300 -1.059 0.000 3.104 192 C HA 0.680 5.140 4.460 -0.000 0.000 0.284 192 C C 1.474 175.759 174.990 -1.175 0.000 1.326 192 C CA -0.001 58.010 59.018 -1.679 0.000 1.725 192 C CB -0.400 26.292 27.740 -1.747 0.000 2.156 192 C HN 0.804 nan 8.230 nan 0.000 0.638 193 G N 0.271 108.676 108.800 -0.659 0.000 2.179 193 G HA2 0.308 4.268 3.960 -0.000 0.000 0.220 193 G HA3 0.308 4.268 3.960 -0.000 0.000 0.220 193 G C 0.454 175.185 174.900 -0.283 0.000 0.990 193 G CA 0.034 44.907 45.100 -0.378 0.000 0.646 193 G HN 1.676 nan 8.290 nan 0.000 0.517 194 G N -1.922 106.692 108.800 -0.310 0.000 2.603 194 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 194 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 194 G C 1.066 175.892 174.900 -0.123 0.000 1.286 194 G CA 0.990 45.975 45.100 -0.191 0.000 0.871 194 G HN 1.874 nan 8.290 nan 0.000 0.568 195 T N -2.865 111.671 114.554 -0.030 0.000 2.720 195 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 195 T C 2.339 176.973 174.700 -0.110 0.000 1.037 195 T CA 3.090 65.205 62.100 0.025 0.000 1.144 195 T CB -0.840 68.084 68.868 0.093 0.000 0.864 195 T HN 1.030 nan 8.240 nan 0.000 0.444 196 T N 1.407 115.893 114.554 -0.112 0.000 2.674 196 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 196 T C 2.102 176.699 174.700 -0.171 0.000 1.039 196 T CA 1.523 63.505 62.100 -0.197 0.000 1.150 196 T CB -0.371 68.437 68.868 -0.100 0.000 0.864 196 T HN 0.328 nan 8.240 nan 0.000 0.427 197 R N 1.079 121.515 120.500 -0.106 0.000 2.083 197 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 197 R C 2.226 178.526 176.300 -0.001 0.000 1.137 197 R CA 1.374 57.444 56.100 -0.051 0.000 0.951 197 R CB -1.017 29.242 30.300 -0.068 0.000 0.851 197 R HN 0.491 nan 8.270 nan 0.000 0.434 198 I N 0.179 120.719 120.570 -0.051 0.000 2.202 198 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 198 I C 1.849 178.013 176.117 0.079 0.000 1.091 198 I CA 1.601 62.925 61.300 0.040 0.000 1.368 198 I CB -0.123 37.871 38.000 -0.010 0.000 1.058 198 I HN 0.332 nan 8.210 nan 0.000 0.410 199 I N -0.891 119.667 120.570 -0.019 0.000 2.439 199 I HA -0.057 4.113 4.170 -0.000 0.000 0.251 199 I C 1.285 177.318 176.117 -0.140 0.000 1.139 199 I CA 0.440 61.680 61.300 -0.100 0.000 1.438 199 I CB -1.015 36.789 38.000 -0.326 0.000 1.085 199 I HN -0.039 nan 8.210 nan 0.000 0.427 200 S N 1.487 117.089 115.700 -0.163 0.000 2.558 200 S HA 0.076 4.546 4.470 -0.000 0.000 0.288 200 S C 1.132 175.687 174.600 -0.075 0.000 1.318 200 S CA 0.288 58.405 58.200 -0.138 0.000 1.056 200 S CB 0.822 63.947 63.200 -0.125 0.000 0.853 200 S HN 0.465 nan 8.310 nan 0.000 0.505 201 T N 2.016 116.532 114.554 -0.064 0.000 2.837 201 T HA 0.010 4.360 4.350 -0.000 0.000 0.242 201 T C 0.749 175.413 174.700 -0.060 0.000 1.044 201 T CA 0.601 62.663 62.100 -0.063 0.000 1.202 201 T CB -0.409 68.426 68.868 -0.055 0.000 0.905 201 T HN 0.624 nan 8.240 nan 0.000 0.413 202 T N 3.587 118.112 114.554 -0.050 0.000 2.829 202 T HA 0.163 4.513 4.350 -0.000 0.000 0.293 202 T C 0.723 175.395 174.700 -0.046 0.000 0.970 202 T CA 0.446 62.521 62.100 -0.041 0.000 1.168 202 T CB -0.148 68.703 68.868 -0.028 0.000 0.911 202 T HN 0.544 nan 8.240 nan 0.000 0.535 203 N N 0.826 119.500 118.700 -0.044 0.000 2.925 203 N HA -0.138 4.602 4.740 -0.000 0.000 0.244 203 N C 0.090 175.579 175.510 -0.036 0.000 1.000 203 N CA 1.484 54.511 53.050 -0.038 0.000 0.895 203 N CB -1.109 37.359 38.487 -0.031 0.000 1.119 203 N HN 0.940 nan 8.380 nan 0.000 0.569 204 G N -3.076 105.698 108.800 -0.043 0.000 2.866 204 G HA2 0.553 4.513 3.960 -0.000 0.000 0.289 204 G HA3 0.553 4.513 3.960 -0.000 0.000 0.289 204 G C 0.941 175.816 174.900 -0.042 0.000 1.396 204 G CA -0.031 45.062 45.100 -0.011 0.000 0.848 204 G HN 0.404 nan 8.290 nan 0.000 0.515 205 G N -0.935 107.871 108.800 0.009 0.000 2.537 205 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.220 205 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.220 205 G C 1.209 176.070 174.900 -0.065 0.000 1.111 205 G CA 1.086 46.104 45.100 -0.137 0.000 0.748 205 G HN 0.415 nan 8.290 nan 0.000 0.564 206 Q N -0.574 119.188 119.800 -0.063 0.000 2.280 206 Q HA 0.260 4.600 4.340 -0.000 0.000 0.201 206 Q C 1.926 177.870 176.000 -0.094 0.000 0.890 206 Q CA -0.072 55.649 55.803 -0.137 0.000 0.947 206 Q CB 0.414 29.017 28.738 -0.226 0.000 1.081 206 Q HN 0.612 nan 8.270 nan 0.000 0.502 207 E N 0.329 120.478 120.200 -0.085 0.000 2.038 207 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 207 E C 0.038 176.577 176.600 -0.102 0.000 1.000 207 E CA 0.946 57.293 56.400 -0.087 0.000 0.803 207 E CB 0.385 30.026 29.700 -0.098 0.000 0.750 207 E HN 0.145 nan 8.360 nan 0.000 0.448 208 R N -0.798 119.616 120.500 -0.144 0.000 2.867 208 R HA 0.466 4.806 4.340 -0.000 0.000 0.268 208 R C -0.914 175.164 176.300 -0.371 0.000 1.014 208 R CA -0.688 55.239 56.100 -0.289 0.000 0.946 208 R CB 1.929 32.044 30.300 -0.309 0.000 1.208 208 R HN -0.177 nan 8.270 nan 0.000 0.477 209 K N 0.330 120.348 120.400 -0.637 0.000 2.395 209 K HA 0.456 4.776 4.320 -0.000 0.000 0.245 209 K C -1.186 175.086 176.600 -0.547 0.000 1.017 209 K CA -0.666 55.256 56.287 -0.608 0.000 0.852 209 K CB 1.347 33.560 32.500 -0.478 0.000 1.311 209 K HN 0.257 nan 8.250 nan 0.000 0.452 210 F N 1.243 121.136 119.950 -0.094 0.000 2.420 210 F HA 0.171 4.698 4.527 -0.000 0.000 0.352 210 F C 0.299 176.157 175.800 0.096 0.000 1.108 210 F CA -1.013 56.979 58.000 -0.013 0.000 1.162 210 F CB 0.991 39.959 39.000 -0.054 0.000 1.118 210 F HN 0.005 nan 8.300 nan 0.000 0.510 211 V N 4.094 124.222 119.914 0.358 0.000 2.506 211 V HA 0.121 4.241 4.120 -0.000 0.000 0.296 211 V C 1.036 177.068 176.094 -0.103 0.000 1.004 211 V CA 1.443 63.873 62.300 0.217 0.000 1.150 211 V CB -0.172 31.751 31.823 0.166 0.000 0.911 211 V HN 1.142 nan 8.190 nan 0.000 0.476 212 G N 3.184 111.622 108.800 -0.604 0.000 2.217 212 G HA2 0.145 4.105 3.960 -0.000 0.000 0.246 212 G HA3 0.145 4.105 3.960 -0.000 0.000 0.246 212 G C 0.755 175.054 174.900 -1.002 0.000 0.990 212 G CA -0.115 44.217 45.100 -1.280 0.000 0.627 212 G HN 2.496 nan 8.290 nan 0.000 0.522 213 G N -1.392 107.182 108.800 -0.377 0.000 3.014 213 G HA2 0.421 4.381 3.960 -0.000 0.000 0.683 213 G HA3 0.421 4.381 3.960 -0.000 0.000 0.683 213 G C 0.757 175.669 174.900 0.021 0.000 1.271 213 G CA 0.885 45.944 45.100 -0.068 0.000 0.843 213 G HN 1.855 nan 8.290 nan 0.000 0.612 214 S N 0.610 116.385 115.700 0.126 0.000 2.442 214 S HA 0.054 4.524 4.470 -0.000 0.000 0.236 214 S C 2.512 177.130 174.600 0.031 0.000 1.007 214 S CA 1.889 60.194 58.200 0.176 0.000 0.965 214 S CB -0.098 63.233 63.200 0.219 0.000 0.773 214 S HN 2.128 nan 8.310 nan 0.000 0.504 215 G N 1.155 109.970 108.800 0.025 0.000 2.498 215 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 215 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 215 G C 1.406 176.289 174.900 -0.029 0.000 1.119 215 G CA 0.462 45.577 45.100 0.025 0.000 0.766 215 G HN 0.662 nan 8.290 nan 0.000 0.552 216 Q N -0.186 119.563 119.800 -0.085 0.000 2.437 216 Q HA 0.023 4.363 4.340 -0.000 0.000 0.210 216 Q C 2.537 178.449 176.000 -0.147 0.000 0.972 216 Q CA 0.396 56.127 55.803 -0.121 0.000 0.903 216 Q CB 0.009 28.649 28.738 -0.162 0.000 0.967 216 Q HN 0.423 nan 8.270 nan 0.000 0.486 217 V N -0.078 119.736 119.914 -0.167 0.000 2.270 217 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 217 V C 2.054 178.092 176.094 -0.094 0.000 1.043 217 V CA 1.990 64.188 62.300 -0.171 0.000 1.014 217 V CB -0.362 31.348 31.823 -0.188 0.000 0.645 217 V HN 0.284 nan 8.190 nan 0.000 0.447 218 S N -0.720 114.950 115.700 -0.050 0.000 2.383 218 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 218 S C 1.908 176.490 174.600 -0.031 0.000 1.026 218 S CA 1.322 59.507 58.200 -0.024 0.000 0.981 218 S CB -0.192 63.016 63.200 0.012 0.000 0.818 218 S HN 0.656 nan 8.310 nan 0.000 0.472 219 E N 1.050 121.230 120.200 -0.033 0.000 2.031 219 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 219 E C 2.389 178.960 176.600 -0.048 0.000 0.994 219 E CA 0.861 57.242 56.400 -0.031 0.000 0.800 219 E CB -0.067 29.614 29.700 -0.032 0.000 0.752 219 E HN 0.341 nan 8.360 nan 0.000 0.447 220 R N 0.220 120.680 120.500 -0.066 0.000 2.115 220 R HA -0.081 4.259 4.340 -0.000 0.000 0.230 220 R C 2.352 178.611 176.300 -0.070 0.000 1.111 220 R CA 0.891 56.949 56.100 -0.070 0.000 0.976 220 R CB -0.253 29.995 30.300 -0.087 0.000 0.870 220 R HN 0.221 nan 8.270 nan 0.000 0.445 221 I N 0.710 121.238 120.570 -0.071 0.000 2.252 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 221 I C 2.673 178.741 176.117 -0.082 0.000 1.102 221 I CA 1.133 62.387 61.300 -0.076 0.000 1.385 221 I CB -0.150 37.810 38.000 -0.067 0.000 1.064 221 I HN 0.174 nan 8.210 nan 0.000 0.414 222 M N 0.507 120.070 119.600 -0.063 0.000 2.279 222 M HA -0.239 4.241 4.480 -0.000 0.000 0.264 222 M C 1.435 177.699 176.300 -0.060 0.000 1.062 222 M CA 1.830 57.095 55.300 -0.058 0.000 1.099 222 M CB -0.195 32.383 32.600 -0.037 0.000 1.394 222 M HN 0.179 nan 8.290 nan 0.000 0.426 223 D N 0.661 121.027 120.400 -0.056 0.000 2.103 223 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 223 D C 2.020 178.284 176.300 -0.061 0.000 0.978 223 D CA 1.298 55.268 54.000 -0.050 0.000 0.829 223 D CB -0.469 40.305 40.800 -0.044 0.000 0.981 223 D HN 0.395 nan 8.370 nan 0.000 0.464 224 L N 0.290 121.466 121.223 -0.078 0.000 2.127 224 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 224 L C 2.201 178.966 176.870 -0.175 0.000 1.089 224 L CA 0.760 55.539 54.840 -0.102 0.000 0.757 224 L CB -0.262 41.734 42.059 -0.104 0.000 0.899 224 L HN 0.036 nan 8.230 nan 0.000 0.434 225 L N -1.044 120.061 121.223 -0.197 0.000 2.591 225 L HA 0.159 4.499 4.340 -0.000 0.000 0.228 225 L C 1.662 178.460 176.870 -0.119 0.000 1.133 225 L CA 0.220 54.908 54.840 -0.253 0.000 0.880 225 L CB -0.709 41.218 42.059 -0.220 0.000 1.033 225 L HN 0.421 nan 8.230 nan 0.000 0.450 226 G N 2.175 110.931 108.800 -0.073 0.000 2.651 226 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.315 226 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.315 226 G C 0.495 175.382 174.900 -0.022 0.000 1.258 226 G CA 0.594 45.675 45.100 -0.032 0.000 1.002 226 G HN 0.551 nan 8.290 nan 0.000 0.551 227 D N 0.735 121.134 120.400 -0.003 0.000 2.336 227 D HA 0.142 4.782 4.640 -0.000 0.000 0.228 227 D C 1.935 178.246 176.300 0.019 0.000 1.120 227 D CA 0.190 54.195 54.000 0.009 0.000 0.839 227 D CB -0.173 40.638 40.800 0.018 0.000 0.932 227 D HN 0.600 nan 8.370 nan 0.000 0.509 228 R N -0.185 120.319 120.500 0.007 0.000 2.148 228 R HA 0.084 4.424 4.340 -0.000 0.000 0.223 228 R C 0.434 176.729 176.300 -0.009 0.000 1.088 228 R CA 0.377 56.485 56.100 0.013 0.000 0.985 228 R CB 0.246 30.549 30.300 0.005 0.000 0.880 228 R HN 0.066 nan 8.270 nan 0.000 0.451 229 V N 3.235 123.134 119.914 -0.026 0.000 2.427 229 V HA 0.080 4.200 4.120 -0.000 0.000 0.268 229 V C -0.057 176.020 176.094 -0.028 0.000 1.046 229 V CA -0.155 62.122 62.300 -0.038 0.000 0.970 229 V CB 1.099 32.898 31.823 -0.040 0.000 1.001 229 V HN 0.059 nan 8.190 nan 0.000 0.476 230 K N 6.492 126.864 120.400 -0.047 0.000 2.334 230 K HA 0.512 4.832 4.320 -0.000 0.000 0.265 230 K C -0.529 176.041 176.600 -0.049 0.000 1.039 230 K CA -0.339 55.929 56.287 -0.032 0.000 0.920 230 K CB 1.658 34.139 32.500 -0.032 0.000 1.160 230 K HN 0.505 nan 8.250 nan 0.000 0.451 231 L N 1.713 122.916 121.223 -0.032 0.000 2.453 231 L HA 0.091 4.431 4.340 -0.000 0.000 0.261 231 L C 0.851 177.695 176.870 -0.044 0.000 1.179 231 L CA -0.007 54.809 54.840 -0.041 0.000 0.813 231 L CB 0.081 42.125 42.059 -0.025 0.000 1.110 231 L HN 0.694 nan 8.230 nan 0.000 0.466 232 E N 0.128 120.288 120.200 -0.068 0.000 2.476 232 E HA -0.240 4.110 4.350 -0.000 0.000 0.251 232 E C -0.418 176.139 176.600 -0.070 0.000 1.130 232 E CA 0.333 56.690 56.400 -0.071 0.000 0.736 232 E CB -0.927 28.752 29.700 -0.035 0.000 1.298 232 E HN 0.371 nan 8.360 nan 0.000 0.400 233 R N 0.568 121.010 120.500 -0.096 0.000 2.505 233 R HA 0.243 4.583 4.340 -0.000 0.000 0.284 233 R C -2.652 173.569 176.300 -0.132 0.000 1.324 233 R CA -2.004 54.043 56.100 -0.088 0.000 1.432 233 R CB 0.652 30.906 30.300 -0.076 0.000 1.107 233 R HN -0.027 nan 8.270 nan 0.000 0.587 234 P HA 0.076 nan 4.420 nan 0.000 0.282 234 P C -0.305 176.966 177.300 -0.047 0.000 1.274 234 P CA -0.346 62.668 63.100 -0.144 0.000 0.770 234 P CB 1.078 32.705 31.700 -0.122 0.000 0.867 235 V N 5.561 125.452 119.914 -0.038 0.000 2.585 235 V HA -0.020 4.100 4.120 -0.000 0.000 0.296 235 V C 1.789 177.903 176.094 0.033 0.000 1.035 235 V CA 0.678 62.972 62.300 -0.009 0.000 1.084 235 V CB -0.042 31.763 31.823 -0.030 0.000 0.953 235 V HN 0.558 nan 8.190 nan 0.000 0.483 236 I N 1.431 122.033 120.570 0.053 0.000 4.456 236 I HA 0.461 4.631 4.170 -0.000 0.000 0.329 236 I C -0.014 176.209 176.117 0.178 0.000 1.313 236 I CA 0.084 61.449 61.300 0.107 0.000 1.205 236 I CB 0.614 38.657 38.000 0.071 0.000 1.179 236 I HN 0.475 nan 8.210 nan 0.000 0.419 237 Y N 1.713 121.969 120.300 -0.074 0.000 2.513 237 Y HA 0.732 5.282 4.550 -0.000 0.000 0.340 237 Y C -1.740 174.063 175.900 -0.161 0.000 1.055 237 Y CA -1.783 56.253 58.100 -0.107 0.000 1.020 237 Y CB 1.967 40.399 38.460 -0.047 0.000 1.301 237 Y HN -0.030 nan 8.280 nan 0.000 0.453 238 I N 5.553 125.685 120.570 -0.730 0.000 2.500 238 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 238 I C -1.426 174.310 176.117 -0.636 0.000 1.063 238 I CA -0.651 60.301 61.300 -0.579 0.000 1.062 238 I CB 1.728 39.489 38.000 -0.399 0.000 1.223 238 I HN 0.510 nan 8.210 nan 0.000 0.435 239 D N 6.402 126.497 120.400 -0.508 0.000 2.392 239 D HA 0.258 4.898 4.640 -0.000 0.000 0.228 239 D C -0.185 176.052 176.300 -0.105 0.000 1.074 239 D CA -0.074 53.736 54.000 -0.316 0.000 0.838 239 D CB 1.563 42.231 40.800 -0.221 0.000 1.067 239 D HN 0.527 nan 8.370 nan 0.000 0.511 240 Q N 1.828 121.601 119.800 -0.045 0.000 2.157 240 Q HA 0.077 4.417 4.340 -0.000 0.000 0.229 240 Q C 1.157 177.158 176.000 0.002 0.000 0.827 240 Q CA -0.023 55.775 55.803 -0.008 0.000 1.055 240 Q CB 0.882 29.633 28.738 0.022 0.000 1.157 240 Q HN 0.536 nan 8.270 nan 0.000 0.482 241 T N -2.685 111.872 114.554 0.005 0.000 3.014 241 T HA 0.111 4.461 4.350 -0.000 0.000 0.263 241 T C 1.061 175.768 174.700 0.012 0.000 1.078 241 T CA 0.218 62.328 62.100 0.017 0.000 1.135 241 T CB 0.308 69.195 68.868 0.031 0.000 0.895 241 T HN 0.088 nan 8.240 nan 0.000 0.480 242 R N 0.500 121.003 120.500 0.007 0.000 2.740 242 R HA 0.466 4.806 4.340 -0.000 0.000 0.223 242 R C 1.600 177.895 176.300 -0.009 0.000 1.362 242 R CA -0.781 55.321 56.100 0.004 0.000 1.069 242 R CB 0.494 30.799 30.300 0.009 0.000 1.739 242 R HN 0.070 nan 8.270 nan 0.000 0.533 243 E N 0.724 120.917 120.200 -0.012 0.000 2.077 243 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 243 E C -0.246 176.327 176.600 -0.044 0.000 0.989 243 E CA 1.081 57.467 56.400 -0.024 0.000 0.800 243 E CB 0.200 29.890 29.700 -0.018 0.000 0.746 243 E HN 0.282 nan 8.360 nan 0.000 0.452 244 N N 0.017 118.696 118.700 -0.036 0.000 2.430 244 N HA 0.190 4.930 4.740 -0.000 0.000 0.298 244 N C -0.985 174.503 175.510 -0.036 0.000 1.130 244 N CA -0.446 52.575 53.050 -0.048 0.000 0.894 244 N CB 2.118 40.588 38.487 -0.029 0.000 1.209 244 N HN -0.178 nan 8.380 nan 0.000 0.503 245 V N 2.021 121.909 119.914 -0.044 0.000 2.555 245 V HA 0.205 4.325 4.120 -0.000 0.000 0.286 245 V C 0.368 176.462 176.094 -0.001 0.000 1.044 245 V CA -0.282 62.003 62.300 -0.024 0.000 1.026 245 V CB 0.222 32.035 31.823 -0.017 0.000 0.981 245 V HN 0.371 nan 8.190 nan 0.000 0.480 246 L N 5.697 126.916 121.223 -0.007 0.000 2.287 246 L HA 0.565 4.905 4.340 -0.000 0.000 0.287 246 L C -0.520 176.355 176.870 0.008 0.000 1.022 246 L CA -0.343 54.512 54.840 0.024 0.000 0.814 246 L CB 1.871 43.956 42.059 0.044 0.000 1.217 246 L HN 0.397 nan 8.230 nan 0.000 0.420 247 V N 3.073 123.033 119.914 0.076 0.000 2.409 247 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 247 V C -0.239 175.960 176.094 0.175 0.000 1.020 247 V CA -0.653 61.692 62.300 0.075 0.000 0.848 247 V CB 1.735 33.593 31.823 0.058 0.000 0.990 247 V HN 0.711 nan 8.190 nan 0.000 0.430 248 E N 2.949 123.257 120.200 0.180 0.000 2.183 248 E HA 0.636 4.986 4.350 -0.000 0.000 0.271 248 E C -0.256 176.421 176.600 0.129 0.000 0.919 248 E CA -0.460 56.057 56.400 0.196 0.000 0.781 248 E CB 1.860 31.694 29.700 0.223 0.000 1.140 248 E HN 0.844 nan 8.360 nan 0.000 0.402 249 T N 0.949 115.572 114.554 0.116 0.000 2.937 249 T HA 0.206 4.556 4.350 -0.000 0.000 0.283 249 T C 0.909 175.588 174.700 -0.035 0.000 1.012 249 T CA -0.807 61.319 62.100 0.044 0.000 0.997 249 T CB 1.076 69.979 68.868 0.059 0.000 1.136 249 T HN 0.456 nan 8.240 nan 0.000 0.551 250 L N 1.521 122.701 121.223 -0.072 0.000 2.141 250 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 250 L C 2.224 178.894 176.870 -0.333 0.000 1.094 250 L CA 2.096 56.843 54.840 -0.156 0.000 0.763 250 L CB -1.063 40.952 42.059 -0.074 0.000 0.908 250 L HN 0.903 nan 8.230 nan 0.000 0.437 251 N N -3.245 115.340 118.700 -0.190 0.000 2.550 251 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 251 N C 0.111 175.591 175.510 -0.050 0.000 1.110 251 N CA 0.798 53.767 53.050 -0.135 0.000 0.912 251 N CB -0.134 38.353 38.487 -0.000 0.000 0.968 251 N HN 0.470 nan 8.380 nan 0.000 0.448 252 H N -1.867 117.223 119.070 0.034 0.000 3.621 252 H HA -0.088 4.468 4.556 -0.000 0.000 0.160 252 H C -0.805 174.538 175.328 0.025 0.000 0.823 252 H CA 0.320 56.379 56.048 0.019 0.000 1.225 252 H CB -1.544 28.217 29.762 -0.002 0.000 0.889 252 H HN 0.515 nan 8.280 nan 0.000 0.463 253 E N 0.801 121.079 120.200 0.130 0.000 2.392 253 E HA 0.391 4.741 4.350 -0.000 0.000 0.259 253 E C 0.229 176.885 176.600 0.093 0.000 1.108 253 E CA 0.020 56.467 56.400 0.078 0.000 0.916 253 E CB 0.985 30.765 29.700 0.133 0.000 0.989 253 E HN 0.040 nan 8.360 nan 0.000 0.432 254 M N 1.995 121.544 119.600 -0.086 0.000 2.267 254 M HA 0.306 4.786 4.480 -0.000 0.000 0.289 254 M C -2.083 174.089 176.300 -0.213 0.000 1.043 254 M CA -0.281 55.015 55.300 -0.006 0.000 0.928 254 M CB 1.243 33.840 32.600 -0.005 0.000 1.613 254 M HN 0.364 nan 8.290 nan 0.000 0.450 255 Y N 1.449 121.764 120.300 0.025 0.000 2.468 255 Y HA 0.657 5.207 4.550 -0.000 0.000 0.342 255 Y C -0.408 175.499 175.900 0.012 0.000 1.021 255 Y CA -0.737 57.373 58.100 0.017 0.000 1.079 255 Y CB 1.913 40.381 38.460 0.013 0.000 1.226 255 Y HN 0.535 nan 8.280 nan 0.000 0.460 256 E N 1.332 121.612 120.200 0.133 0.000 2.210 256 E HA 0.816 5.166 4.350 -0.000 0.000 0.266 256 E C -1.192 175.451 176.600 0.072 0.000 0.883 256 E CA -0.851 55.594 56.400 0.074 0.000 0.761 256 E CB 2.119 31.838 29.700 0.031 0.000 1.156 256 E HN 0.717 nan 8.360 nan 0.000 0.412 257 A N 2.302 125.149 122.820 0.044 0.000 2.564 257 A HA 0.433 4.753 4.320 -0.000 0.000 0.288 257 A C -0.152 177.410 177.584 -0.035 0.000 1.164 257 A CA -0.632 51.423 52.037 0.031 0.000 0.712 257 A CB 1.227 20.265 19.000 0.064 0.000 1.303 257 A HN 0.558 nan 8.150 nan 0.000 0.418 258 K N -1.099 119.262 120.400 -0.064 0.000 2.186 258 K HA 0.208 4.528 4.320 -0.000 0.000 0.202 258 K C -0.867 175.402 176.600 -0.551 0.000 1.052 258 K CA 1.319 57.430 56.287 -0.293 0.000 0.965 258 K CB 0.013 32.369 32.500 -0.241 0.000 0.746 258 K HN 0.557 nan 8.250 nan 0.000 0.457 259 Y N -1.295 119.025 120.300 0.033 0.000 2.571 259 Y HA 0.421 4.971 4.550 -0.000 0.000 0.341 259 Y C -0.830 175.092 175.900 0.037 0.000 1.076 259 Y CA -1.377 56.757 58.100 0.056 0.000 1.029 259 Y CB 1.810 40.279 38.460 0.015 0.000 1.308 259 Y HN -0.439 nan 8.280 nan 0.000 0.461 260 V N 3.445 123.494 119.914 0.225 0.000 2.680 260 V HA 0.504 4.624 4.120 -0.000 0.000 0.309 260 V C -0.613 175.524 176.094 0.071 0.000 1.052 260 V CA -0.844 61.518 62.300 0.103 0.000 0.908 260 V CB 2.086 33.941 31.823 0.054 0.000 1.001 260 V HN 0.547 nan 8.190 nan 0.000 0.431 261 I N 2.924 123.506 120.570 0.019 0.000 2.362 261 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 261 I C 0.281 176.386 176.117 -0.020 0.000 0.994 261 I CA -0.149 61.140 61.300 -0.019 0.000 1.158 261 I CB 1.921 39.919 38.000 -0.003 0.000 1.315 261 I HN 0.616 nan 8.210 nan 0.000 0.451 262 S N 5.582 121.247 115.700 -0.059 0.000 2.411 262 S HA 0.577 5.047 4.470 -0.000 0.000 0.294 262 S C 0.293 174.992 174.600 0.165 0.000 1.115 262 S CA -0.445 57.810 58.200 0.092 0.000 1.071 262 S CB 0.601 63.941 63.200 0.234 0.000 0.967 262 S HN 0.711 nan 8.310 nan 0.000 0.488 263 A N 6.031 128.928 122.820 0.129 0.000 2.985 263 A HA 0.539 4.859 4.320 -0.000 0.000 0.303 263 A C 0.103 177.764 177.584 0.128 0.000 1.048 263 A CA -0.721 51.392 52.037 0.126 0.000 1.016 263 A CB -0.581 18.468 19.000 0.080 0.000 1.118 263 A HN 0.983 nan 8.150 nan 0.000 0.529 264 I N -4.074 116.589 120.570 0.156 0.000 2.934 264 I HA 0.697 4.867 4.170 -0.000 0.000 0.306 264 I C -3.017 173.185 176.117 0.142 0.000 1.110 264 I CA -3.089 58.296 61.300 0.141 0.000 1.019 264 I CB 1.827 39.913 38.000 0.143 0.000 1.227 264 I HN -0.137 nan 8.210 nan 0.000 0.434 265 P HA 0.109 nan 4.420 nan 0.000 0.263 265 P C -2.187 175.149 177.300 0.059 0.000 1.175 265 P CA -0.537 62.615 63.100 0.087 0.000 0.761 265 P CB -0.055 31.682 31.700 0.061 0.000 0.794 266 P HA -0.220 nan 4.420 nan 0.000 0.216 266 P C 1.598 178.863 177.300 -0.059 0.000 1.157 266 P CA 1.859 64.941 63.100 -0.029 0.000 0.880 266 P CB -0.233 31.415 31.700 -0.087 0.000 0.791 267 T N -1.558 112.940 114.554 -0.093 0.000 2.962 267 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 267 T C 1.540 176.214 174.700 -0.043 0.000 1.088 267 T CA 0.686 62.720 62.100 -0.109 0.000 1.127 267 T CB -0.772 67.999 68.868 -0.163 0.000 0.883 267 T HN -0.044 nan 8.240 nan 0.000 0.493 268 L N 0.292 121.520 121.223 0.007 0.000 2.376 268 L HA 0.147 4.487 4.340 -0.000 0.000 0.219 268 L C 2.839 179.766 176.870 0.095 0.000 1.133 268 L CA 0.795 55.666 54.840 0.052 0.000 0.816 268 L CB -0.787 41.325 42.059 0.090 0.000 0.933 268 L HN 0.352 nan 8.230 nan 0.000 0.449 269 G N -0.205 108.663 108.800 0.114 0.000 2.564 269 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 269 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 269 G C 1.560 176.579 174.900 0.199 0.000 1.120 269 G CA 0.313 45.536 45.100 0.205 0.000 0.752 269 G HN 0.161 nan 8.290 nan 0.000 0.558 270 M N -0.051 119.596 119.600 0.079 0.000 2.419 270 M HA 0.089 4.569 4.480 -0.000 0.000 0.264 270 M C 2.104 178.408 176.300 0.008 0.000 1.082 270 M CA 0.860 56.177 55.300 0.028 0.000 1.119 270 M CB -0.294 32.289 32.600 -0.029 0.000 1.398 270 M HN 0.212 nan 8.290 nan 0.000 0.453 271 K N -0.021 120.405 120.400 0.043 0.000 2.486 271 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 271 K C 0.316 176.956 176.600 0.066 0.000 1.033 271 K CA 0.437 56.756 56.287 0.053 0.000 1.004 271 K CB 0.293 32.851 32.500 0.096 0.000 0.798 271 K HN 0.299 nan 8.250 nan 0.000 0.495 272 I N 1.493 122.085 120.570 0.036 0.000 2.377 272 I HA 0.110 4.280 4.170 -0.000 0.000 0.293 272 I C 0.209 176.225 176.117 -0.169 0.000 0.987 272 I CA -0.735 60.514 61.300 -0.086 0.000 1.185 272 I CB 1.198 39.020 38.000 -0.296 0.000 1.341 272 I HN 0.050 nan 8.210 nan 0.000 0.455 273 H N 6.029 125.048 119.070 -0.086 0.000 2.610 273 H HA 0.314 4.870 4.556 -0.000 0.000 0.336 273 H C -1.072 174.169 175.328 -0.145 0.000 1.087 273 H CA 0.083 56.164 56.048 0.054 0.000 1.405 273 H CB 1.063 30.939 29.762 0.190 0.000 1.460 273 H HN 0.318 nan 8.280 nan 0.000 0.538 274 F N 1.729 121.764 119.950 0.142 0.000 2.469 274 F HA 0.174 4.701 4.527 -0.000 0.000 0.332 274 F C 0.499 176.315 175.800 0.026 0.000 1.103 274 F CA -0.741 57.269 58.000 0.017 0.000 0.979 274 F CB 1.472 40.477 39.000 0.009 0.000 1.137 274 F HN 0.465 nan 8.300 nan 0.000 0.463 275 N N 4.269 123.010 118.700 0.068 0.000 2.461 275 N HA 0.440 5.180 4.740 -0.000 0.000 0.284 275 N C -3.025 172.517 175.510 0.053 0.000 1.049 275 N CA -2.268 50.831 53.050 0.081 0.000 0.889 275 N CB 2.237 40.779 38.487 0.091 0.000 1.365 275 N HN 0.069 nan 8.380 nan 0.000 0.499 276 P HA 0.307 nan 4.420 nan 0.000 0.274 276 P C -2.618 174.750 177.300 0.114 0.000 1.256 276 P CA -1.012 62.140 63.100 0.086 0.000 0.795 276 P CB -0.325 31.408 31.700 0.055 0.000 1.038 277 P HA 0.026 nan 4.420 nan 0.000 0.266 277 P C 0.178 177.483 177.300 0.007 0.000 1.186 277 P CA 0.467 63.616 63.100 0.081 0.000 0.767 277 P CB 0.165 31.897 31.700 0.054 0.000 0.820 278 L N 4.084 125.258 121.223 -0.082 0.000 2.482 278 L HA 0.133 4.473 4.340 -0.000 0.000 0.273 278 L C -1.600 175.204 176.870 -0.110 0.000 1.228 278 L CA -1.514 53.207 54.840 -0.199 0.000 0.827 278 L CB -0.551 41.287 42.059 -0.369 0.000 1.099 278 L HN 0.328 nan 8.230 nan 0.000 0.494 279 P HA -0.042 nan 4.420 nan 0.000 0.270 279 P C 0.578 177.839 177.300 -0.065 0.000 1.223 279 P CA -0.283 62.777 63.100 -0.067 0.000 0.785 279 P CB 0.449 32.111 31.700 -0.064 0.000 0.923 280 M N 1.459 121.034 119.600 -0.042 0.000 2.106 280 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 280 M C 1.224 177.523 176.300 -0.003 0.000 1.068 280 M CA 2.219 57.505 55.300 -0.024 0.000 1.100 280 M CB -0.385 32.205 32.600 -0.017 0.000 1.351 280 M HN 0.159 nan 8.290 nan 0.000 0.404 281 M N 0.080 119.674 119.600 -0.010 0.000 2.059 281 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 281 M C 2.357 178.695 176.300 0.063 0.000 1.072 281 M CA 2.031 57.360 55.300 0.048 0.000 1.117 281 M CB -1.520 31.054 32.600 -0.043 0.000 1.320 281 M HN 0.412 nan 8.290 nan 0.000 0.408 282 R N 0.473 120.943 120.500 -0.051 0.000 2.091 282 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 282 R C 2.029 178.243 176.300 -0.143 0.000 1.136 282 R CA 2.075 58.097 56.100 -0.129 0.000 0.959 282 R CB -0.355 29.822 30.300 -0.204 0.000 0.856 282 R HN 0.356 nan 8.270 nan 0.000 0.437 283 N N 0.282 118.908 118.700 -0.122 0.000 2.037 283 N HA -0.250 4.490 4.740 -0.000 0.000 0.196 283 N C 1.601 177.044 175.510 -0.111 0.000 1.034 283 N CA 2.236 55.218 53.050 -0.112 0.000 0.861 283 N CB -0.085 38.359 38.487 -0.072 0.000 1.039 283 N HN 0.415 nan 8.380 nan 0.000 0.427 284 Q N -1.218 118.530 119.800 -0.087 0.000 2.212 284 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 284 Q C 2.003 177.794 176.000 -0.348 0.000 0.950 284 Q CA 0.517 56.229 55.803 -0.151 0.000 0.863 284 Q CB -0.097 28.614 28.738 -0.044 0.000 0.944 284 Q HN 0.483 nan 8.270 nan 0.000 0.465 285 M N 1.724 121.123 119.600 -0.334 0.000 2.088 285 M HA -0.198 4.282 4.480 -0.000 0.000 0.256 285 M C 2.092 178.177 176.300 -0.357 0.000 1.071 285 M CA 1.715 56.755 55.300 -0.433 0.000 1.097 285 M CB -0.614 31.898 32.600 -0.146 0.000 1.315 285 M HN 0.335 nan 8.290 nan 0.000 0.406 286 I N -1.356 119.059 120.570 -0.258 0.000 3.164 286 I HA -0.136 4.034 4.170 -0.000 0.000 0.278 286 I C 1.408 177.395 176.117 -0.217 0.000 1.320 286 I CA 1.603 62.771 61.300 -0.219 0.000 1.422 286 I CB -1.046 36.862 38.000 -0.153 0.000 1.066 286 I HN 0.372 nan 8.210 nan 0.000 0.503 287 T N -2.424 111.983 114.554 -0.246 0.000 3.040 287 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 287 T C 1.496 176.038 174.700 -0.263 0.000 1.058 287 T CA -0.228 61.741 62.100 -0.218 0.000 0.988 287 T CB -0.002 68.758 68.868 -0.180 0.000 0.993 287 T HN 0.399 nan 8.240 nan 0.000 0.519 288 R N 1.186 121.476 120.500 -0.349 0.000 2.509 288 R HA 0.357 4.697 4.340 -0.000 0.000 0.300 288 R C -0.193 175.830 176.300 -0.462 0.000 0.985 288 R CA -0.044 55.826 56.100 -0.383 0.000 1.092 288 R CB 1.257 31.267 30.300 -0.482 0.000 1.237 288 R HN 0.433 nan 8.270 nan 0.000 0.546 289 V N -1.294 118.323 119.914 -0.495 0.000 2.465 289 V HA 0.492 4.612 4.120 -0.000 0.000 0.263 289 V C -2.879 172.867 176.094 -0.580 0.000 0.981 289 V CA -2.555 59.340 62.300 -0.675 0.000 0.838 289 V CB 0.962 32.332 31.823 -0.755 0.000 1.068 289 V HN -0.114 nan 8.190 nan 0.000 0.458 290 P HA 0.580 nan 4.420 nan 0.000 0.276 290 P C -0.655 176.297 177.300 -0.579 0.000 1.261 290 P CA -0.379 62.381 63.100 -0.567 0.000 0.800 290 P CB 1.304 32.641 31.700 -0.605 0.000 1.066 291 L N 0.067 121.120 121.223 -0.283 0.000 2.352 291 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 291 L C 1.473 178.367 176.870 0.041 0.000 1.034 291 L CA -0.286 54.484 54.840 -0.116 0.000 0.806 291 L CB 0.262 42.295 42.059 -0.042 0.000 1.244 291 L HN 0.435 nan 8.230 nan 0.000 0.447 292 G N -0.081 108.768 108.800 0.081 0.000 2.716 292 G HA2 0.337 4.297 3.960 -0.000 0.000 0.251 292 G HA3 0.337 4.297 3.960 -0.000 0.000 0.251 292 G C -0.607 174.287 174.900 -0.010 0.000 1.224 292 G CA -0.342 44.776 45.100 0.030 0.000 0.891 292 G HN 0.491 nan 8.290 nan 0.000 0.561 293 S N -1.193 114.482 115.700 -0.041 0.000 2.552 293 S HA 0.550 5.020 4.470 -0.000 0.000 0.314 293 S C -0.972 173.620 174.600 -0.015 0.000 1.099 293 S CA -0.495 57.708 58.200 0.006 0.000 1.070 293 S CB 1.636 64.853 63.200 0.030 0.000 0.998 293 S HN 0.801 nan 8.310 nan 0.000 0.474 294 V N 5.394 125.346 119.914 0.063 0.000 2.891 294 V HA 0.533 4.653 4.120 -0.000 0.000 0.304 294 V C -1.733 174.524 176.094 0.271 0.000 1.171 294 V CA -0.772 61.603 62.300 0.126 0.000 0.943 294 V CB 1.640 33.484 31.823 0.035 0.000 1.037 294 V HN 0.865 nan 8.190 nan 0.000 0.427 295 I N 5.635 126.364 120.570 0.266 0.000 2.321 295 I HA 0.484 4.654 4.170 -0.000 0.000 0.291 295 I C -0.038 176.304 176.117 0.375 0.000 0.998 295 I CA -0.525 60.946 61.300 0.285 0.000 1.227 295 I CB 1.437 39.549 38.000 0.186 0.000 1.368 295 I HN 0.564 nan 8.210 nan 0.000 0.466 296 K N 6.225 126.882 120.400 0.429 0.000 2.234 296 K HA 0.531 4.851 4.320 -0.000 0.000 0.277 296 K C -1.437 175.265 176.600 0.170 0.000 1.038 296 K CA -0.252 56.261 56.287 0.377 0.000 0.888 296 K CB 0.938 33.751 32.500 0.522 0.000 1.091 296 K HN 0.690 nan 8.250 nan 0.000 0.467 297 C N 5.426 124.777 119.300 0.086 0.000 2.441 297 C HA 0.581 5.041 4.460 -0.000 0.000 0.318 297 C C -1.022 173.973 174.990 0.009 0.000 1.222 297 C CA -0.970 58.080 59.018 0.053 0.000 1.474 297 C CB 0.106 27.977 27.740 0.218 0.000 2.125 297 C HN 0.790 nan 8.230 nan 0.000 0.479 298 I N 3.411 123.926 120.570 -0.091 0.000 2.476 298 I HA 0.367 4.537 4.170 -0.000 0.000 0.281 298 I C -0.291 175.742 176.117 -0.141 0.000 1.040 298 I CA -0.136 61.067 61.300 -0.161 0.000 1.094 298 I CB 1.246 39.108 38.000 -0.231 0.000 1.219 298 I HN 0.298 nan 8.210 nan 0.000 0.450 299 V N 6.350 126.228 119.914 -0.060 0.000 2.407 299 V HA 0.364 4.484 4.120 -0.000 0.000 0.278 299 V C -0.562 175.277 176.094 -0.425 0.000 1.037 299 V CA -0.591 61.686 62.300 -0.038 0.000 0.900 299 V CB 0.761 32.632 31.823 0.079 0.000 0.983 299 V HN 0.404 nan 8.190 nan 0.000 0.459 300 Y N 4.110 124.307 120.300 -0.172 0.000 2.361 300 Y HA 0.648 5.198 4.550 -0.000 0.000 0.332 300 Y C -0.265 175.450 175.900 -0.309 0.000 1.101 300 Y CA -0.460 57.576 58.100 -0.106 0.000 1.137 300 Y CB 1.246 39.767 38.460 0.102 0.000 1.207 300 Y HN 0.523 nan 8.280 nan 0.000 0.463 301 Y N 0.428 120.962 120.300 0.391 0.000 2.570 301 Y HA 0.286 4.836 4.550 -0.000 0.000 0.345 301 Y C 1.215 177.251 175.900 0.226 0.000 1.014 301 Y CA -1.335 56.970 58.100 0.341 0.000 1.063 301 Y CB 1.980 40.735 38.460 0.492 0.000 1.272 301 Y HN 0.516 nan 8.280 nan 0.000 0.477 302 K N 0.619 121.224 120.400 0.341 0.000 2.009 302 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 302 K C -0.310 176.359 176.600 0.114 0.000 1.049 302 K CA 1.820 58.208 56.287 0.168 0.000 0.929 302 K CB 0.127 32.702 32.500 0.124 0.000 0.714 302 K HN 0.747 nan 8.250 nan 0.000 0.440 303 E N -0.938 119.342 120.200 0.134 0.000 2.320 303 E HA 0.241 4.591 4.350 -0.000 0.000 0.264 303 E C -2.628 173.861 176.600 -0.186 0.000 0.923 303 E CA -2.374 54.018 56.400 -0.014 0.000 0.796 303 E CB 1.955 31.636 29.700 -0.032 0.000 1.262 303 E HN 0.005 nan 8.360 nan 0.000 0.428 304 P HA 0.061 nan 4.420 nan 0.000 0.231 304 P C 0.124 176.528 177.300 -1.494 0.000 1.811 304 P CA -0.067 62.131 63.100 -1.503 0.000 1.051 304 P CB -0.738 30.377 31.700 -0.975 0.000 1.951 305 F N 0.285 119.686 119.950 -0.915 0.000 2.250 305 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 305 F C 1.743 177.400 175.800 -0.237 0.000 1.077 305 F CA 0.088 57.854 58.000 -0.391 0.000 1.348 305 F CB -1.737 37.162 39.000 -0.169 0.000 1.040 305 F HN 0.144 nan 8.300 nan 0.000 0.509 306 W N 1.483 122.577 121.300 -0.344 0.000 2.392 306 W HA 0.049 4.709 4.660 0.000 0.000 0.279 306 W C 1.895 178.401 176.519 -0.022 0.000 1.225 306 W CA 0.789 58.074 57.345 -0.101 0.000 1.233 306 W CB -1.067 28.233 29.460 -0.265 0.000 1.122 306 W HN -0.124 nan 8.180 nan 0.000 0.561 307 R N 1.123 121.467 120.500 -0.261 0.000 2.148 307 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 307 R C 1.998 178.234 176.300 -0.107 0.000 1.088 307 R CA 1.277 57.298 56.100 -0.131 0.000 0.985 307 R CB -0.424 29.744 30.300 -0.219 0.000 0.880 307 R HN 0.262 nan 8.270 nan 0.000 0.451 308 K N 1.194 121.526 120.400 -0.114 0.000 2.063 308 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 308 K C 1.570 178.116 176.600 -0.090 0.000 1.048 308 K CA 1.380 57.620 56.287 -0.077 0.000 0.928 308 K CB 0.037 32.512 32.500 -0.041 0.000 0.713 308 K HN 0.093 nan 8.250 nan 0.000 0.442 309 K N 0.509 120.840 120.400 -0.114 0.000 2.487 309 K HA -0.058 4.262 4.320 -0.000 0.000 0.192 309 K C -0.257 176.042 176.600 -0.503 0.000 1.027 309 K CA 0.437 56.552 56.287 -0.287 0.000 1.054 309 K CB 0.236 32.551 32.500 -0.308 0.000 0.824 309 K HN 0.108 nan 8.250 nan 0.000 0.510 310 D N -0.464 119.768 120.400 -0.280 0.000 2.947 310 D HA -0.199 4.441 4.640 -0.000 0.000 0.224 310 D C -1.250 174.969 176.300 -0.135 0.000 1.132 310 D CA 0.746 54.632 54.000 -0.190 0.000 0.801 310 D CB -1.537 39.169 40.800 -0.156 0.000 1.097 310 D HN 0.330 nan 8.370 nan 0.000 0.431 311 Y N -0.734 119.612 120.300 0.076 0.000 2.361 311 Y HA 0.337 4.887 4.550 -0.000 0.000 0.332 311 Y C 2.167 178.151 175.900 0.139 0.000 1.101 311 Y CA -0.806 57.338 58.100 0.074 0.000 1.137 311 Y CB 1.160 39.672 38.460 0.087 0.000 1.207 311 Y HN 0.264 nan 8.280 nan 0.000 0.463 312 C N -1.425 118.003 119.300 0.214 0.000 2.512 312 C HA 0.525 4.985 4.460 -0.000 0.000 0.276 312 C C 1.693 176.748 174.990 0.109 0.000 1.368 312 C CA 0.541 59.659 59.018 0.166 0.000 1.755 312 C CB -0.619 27.147 27.740 0.043 0.000 2.008 312 C HN 1.195 nan 8.230 nan 0.000 0.511 313 G N -0.106 108.583 108.800 -0.185 0.000 2.296 313 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.188 313 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.188 313 G C 0.028 174.619 174.900 -0.515 0.000 1.000 313 G CA 0.145 44.861 45.100 -0.639 0.000 0.672 313 G HN 0.539 nan 8.290 nan 0.000 0.483 314 T N 2.505 116.850 114.554 -0.348 0.000 2.814 314 T HA 0.619 4.969 4.350 -0.000 0.000 0.297 314 T C 0.241 174.743 174.700 -0.329 0.000 0.956 314 T CA 0.621 62.495 62.100 -0.377 0.000 1.123 314 T CB 0.882 69.586 68.868 -0.272 0.000 0.902 314 T HN 0.296 nan 8.240 nan 0.000 0.528 315 M N 3.962 123.346 119.600 -0.360 0.000 2.267 315 M HA 0.470 4.950 4.480 -0.000 0.000 0.289 315 M C -0.956 175.345 176.300 0.001 0.000 1.043 315 M CA -0.560 54.648 55.300 -0.154 0.000 0.928 315 M CB 2.252 34.740 32.600 -0.186 0.000 1.613 315 M HN 0.418 nan 8.290 nan 0.000 0.450 316 I N 4.818 125.539 120.570 0.252 0.000 2.328 316 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 316 I C -0.873 175.525 176.117 0.469 0.000 1.012 316 I CA -0.427 61.127 61.300 0.424 0.000 1.195 316 I CB 0.809 39.054 38.000 0.409 0.000 1.350 316 I HN 0.607 nan 8.210 nan 0.000 0.464 317 I N 5.193 125.991 120.570 0.380 0.000 2.382 317 I HA 0.281 4.451 4.170 -0.000 0.000 0.285 317 I C -0.156 176.149 176.117 0.313 0.000 1.007 317 I CA -0.490 61.015 61.300 0.341 0.000 1.142 317 I CB 1.118 39.257 38.000 0.231 0.000 1.289 317 I HN 0.441 nan 8.210 nan 0.000 0.453 318 D N 4.819 125.404 120.400 0.309 0.000 2.339 318 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 318 D C 0.409 176.817 176.300 0.180 0.000 1.115 318 D CA 0.835 54.978 54.000 0.238 0.000 0.917 318 D CB 1.817 42.739 40.800 0.203 0.000 1.192 318 D HN 0.822 nan 8.370 nan 0.000 0.428 319 G N 1.777 110.666 108.800 0.148 0.000 2.663 319 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 319 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 319 G C 0.590 175.561 174.900 0.119 0.000 1.246 319 G CA 0.058 45.228 45.100 0.118 0.000 0.795 319 G HN 0.452 nan 8.290 nan 0.000 0.627 320 E N 0.263 120.527 120.200 0.107 0.000 2.150 320 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 320 E C 2.201 178.860 176.600 0.097 0.000 0.985 320 E CA 2.412 58.884 56.400 0.120 0.000 0.814 320 E CB -0.046 29.726 29.700 0.119 0.000 0.752 320 E HN 0.648 nan 8.360 nan 0.000 0.466 321 E N 0.590 120.840 120.200 0.083 0.000 2.204 321 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 321 E C 0.415 177.049 176.600 0.056 0.000 0.989 321 E CA 0.941 57.380 56.400 0.065 0.000 0.824 321 E CB -0.536 29.201 29.700 0.061 0.000 0.756 321 E HN 0.294 nan 8.360 nan 0.000 0.477 322 A N 2.692 125.556 122.820 0.075 0.000 2.451 322 A HA 0.224 4.544 4.320 -0.000 0.000 0.266 322 A C -1.348 176.264 177.584 0.048 0.000 1.119 322 A CA -1.241 50.836 52.037 0.066 0.000 0.786 322 A CB 0.242 19.308 19.000 0.110 0.000 1.061 322 A HN -0.016 nan 8.150 nan 0.000 0.503 323 P HA -0.067 nan 4.420 nan 0.000 0.216 323 P C 0.245 177.578 177.300 0.054 0.000 1.150 323 P CA 1.104 64.211 63.100 0.011 0.000 0.837 323 P CB 0.096 31.784 31.700 -0.021 0.000 0.786 324 V N -0.169 119.795 119.914 0.083 0.000 2.487 324 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 324 V C 1.071 177.282 176.094 0.196 0.000 1.028 324 V CA -0.172 62.224 62.300 0.159 0.000 0.860 324 V CB 1.464 33.395 31.823 0.179 0.000 0.991 324 V HN -0.035 nan 8.190 nan 0.000 0.427 325 A N 4.478 127.448 122.820 0.250 0.000 2.147 325 A HA 0.324 4.644 4.320 -0.000 0.000 0.211 325 A C 0.146 177.961 177.584 0.385 0.000 1.160 325 A CA 0.651 52.858 52.037 0.284 0.000 0.781 325 A CB 0.164 19.320 19.000 0.260 0.000 0.842 325 A HN 0.788 nan 8.150 nan 0.000 0.475 326 Y N -0.520 119.911 120.300 0.218 0.000 2.521 326 Y HA 0.465 5.015 4.550 -0.000 0.000 0.332 326 Y C -0.477 175.493 175.900 0.117 0.000 1.121 326 Y CA -0.373 57.843 58.100 0.193 0.000 1.037 326 Y CB 1.440 40.062 38.460 0.269 0.000 1.330 326 Y HN 0.146 nan 8.280 nan 0.000 0.452 327 T N 3.636 117.860 114.554 -0.549 0.000 2.864 327 T HA 0.875 5.225 4.350 -0.000 0.000 0.299 327 T C -1.784 172.502 174.700 -0.690 0.000 1.166 327 T CA -0.795 61.001 62.100 -0.506 0.000 1.007 327 T CB 1.833 70.423 68.868 -0.463 0.000 1.219 327 T HN 0.647 nan 8.240 nan 0.000 0.506 328 L N 0.970 121.908 121.223 -0.475 0.000 2.424 328 L HA 0.490 4.830 4.340 -0.000 0.000 0.258 328 L C -0.881 175.807 176.870 -0.303 0.000 0.995 328 L CA -1.212 53.411 54.840 -0.361 0.000 0.821 328 L CB 2.309 44.234 42.059 -0.223 0.000 1.383 328 L HN 0.755 nan 8.230 nan 0.000 0.410 329 D N 0.985 121.246 120.400 -0.233 0.000 2.434 329 D HA -0.034 4.606 4.640 -0.000 0.000 0.252 329 D C -0.228 176.098 176.300 0.043 0.000 1.185 329 D CA 0.648 54.593 54.000 -0.090 0.000 0.886 329 D CB 1.083 41.944 40.800 0.101 0.000 1.148 329 D HN 0.492 nan 8.370 nan 0.000 0.483 330 D N 1.926 122.356 120.400 0.051 0.000 2.501 330 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 330 D C -0.427 175.953 176.300 0.133 0.000 1.202 330 D CA -0.172 53.876 54.000 0.079 0.000 0.829 330 D CB 0.380 41.165 40.800 -0.025 0.000 1.023 330 D HN 0.207 nan 8.370 nan 0.000 0.499 331 T N 1.708 116.376 114.554 0.190 0.000 2.916 331 T HA 0.058 4.408 4.350 -0.000 0.000 0.303 331 T C 0.471 175.237 174.700 0.109 0.000 1.025 331 T CA -0.349 61.858 62.100 0.178 0.000 1.142 331 T CB 0.837 69.813 68.868 0.180 0.000 0.947 331 T HN -0.071 nan 8.240 nan 0.000 0.544 332 K N 4.121 124.548 120.400 0.044 0.000 2.494 332 K HA 0.005 4.325 4.320 -0.000 0.000 0.273 332 K C -1.429 175.060 176.600 -0.186 0.000 0.970 332 K CA -1.690 54.531 56.287 -0.110 0.000 0.963 332 K CB -0.072 32.392 32.500 -0.061 0.000 0.913 332 K HN 0.343 nan 8.250 nan 0.000 0.502 333 P HA -0.136 nan 4.420 nan 0.000 0.219 333 P C 0.299 177.514 177.300 -0.141 0.000 1.146 333 P CA 1.337 64.200 63.100 -0.395 0.000 0.808 333 P CB 0.327 31.666 31.700 -0.602 0.000 0.779 334 E N -1.100 119.043 120.200 -0.096 0.000 2.427 334 E HA 0.172 4.522 4.350 -0.000 0.000 0.196 334 E C 1.525 178.117 176.600 -0.014 0.000 1.028 334 E CA 0.910 57.291 56.400 -0.031 0.000 0.864 334 E CB -0.686 29.015 29.700 0.000 0.000 0.813 334 E HN 0.291 nan 8.360 nan 0.000 0.514 335 G N 0.819 109.613 108.800 -0.010 0.000 2.163 335 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.213 335 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.213 335 G C -0.019 174.881 174.900 0.000 0.000 0.991 335 G CA 0.161 45.256 45.100 -0.010 0.000 0.653 335 G HN 0.337 nan 8.290 nan 0.000 0.518 336 N N -0.876 117.849 118.700 0.042 0.000 2.592 336 N HA 0.560 5.300 4.740 -0.000 0.000 0.292 336 N C 0.529 176.143 175.510 0.175 0.000 1.260 336 N CA -0.973 52.096 53.050 0.033 0.000 0.910 336 N CB 0.152 38.620 38.487 -0.031 0.000 1.257 336 N HN 0.566 nan 8.380 nan 0.000 0.569 337 Y N -2.582 117.742 120.300 0.040 0.000 3.305 337 Y HA -0.185 4.365 4.550 -0.000 0.000 0.212 337 Y C 0.618 176.646 175.900 0.213 0.000 1.248 337 Y CA 0.369 58.535 58.100 0.110 0.000 1.359 337 Y CB -2.334 36.150 38.460 0.039 0.000 1.407 337 Y HN 0.767 nan 8.280 nan 0.000 0.572 338 A N 0.214 123.184 122.820 0.250 0.000 2.584 338 A HA 0.489 4.809 4.320 -0.000 0.000 0.239 338 A C 0.771 178.590 177.584 0.392 0.000 1.043 338 A CA 0.744 52.940 52.037 0.265 0.000 0.756 338 A CB -0.021 19.062 19.000 0.138 0.000 0.963 338 A HN 1.397 nan 8.150 nan 0.000 0.511 339 A N 2.631 125.679 122.820 0.380 0.000 2.606 339 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 339 A C -0.946 176.643 177.584 0.007 0.000 1.082 339 A CA -0.548 51.546 52.037 0.095 0.000 0.685 339 A CB 1.051 19.815 19.000 -0.393 0.000 1.284 339 A HN 0.728 nan 8.150 nan 0.000 0.408 340 I N 2.086 122.531 120.570 -0.208 0.000 2.406 340 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 340 I C -0.327 175.605 176.117 -0.309 0.000 0.999 340 I CA -0.360 60.675 61.300 -0.442 0.000 1.124 340 I CB 1.659 39.211 38.000 -0.748 0.000 1.289 340 I HN 0.727 nan 8.210 nan 0.000 0.441 341 M N 5.485 124.914 119.600 -0.285 0.000 2.188 341 M HA 0.643 5.123 4.480 -0.000 0.000 0.357 341 M C -0.316 175.824 176.300 -0.267 0.000 1.204 341 M CA -0.104 55.059 55.300 -0.228 0.000 1.095 341 M CB 1.177 33.677 32.600 -0.166 0.000 1.604 341 M HN 0.733 nan 8.290 nan 0.000 0.464 342 G N 4.300 112.982 108.800 -0.197 0.000 2.696 342 G HA2 0.654 4.614 3.960 -0.000 0.000 0.295 342 G HA3 0.654 4.614 3.960 -0.000 0.000 0.295 342 G C -2.041 172.785 174.900 -0.123 0.000 1.398 342 G CA -0.579 44.443 45.100 -0.131 0.000 0.920 342 G HN 0.631 nan 8.290 nan 0.000 0.492 343 F N 0.450 120.539 119.950 0.232 0.000 2.420 343 F HA 0.531 5.058 4.527 0.000 0.000 0.342 343 F C 0.543 176.450 175.800 0.179 0.000 1.113 343 F CA -0.695 57.443 58.000 0.230 0.000 1.059 343 F CB 2.156 41.322 39.000 0.275 0.000 1.128 343 F HN 0.053 nan 8.300 nan 0.000 0.475 344 I N 5.203 125.978 120.570 0.341 0.000 2.307 344 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 344 I C -0.694 175.514 176.117 0.152 0.000 1.021 344 I CA -0.272 61.147 61.300 0.198 0.000 1.224 344 I CB 0.749 38.832 38.000 0.138 0.000 1.376 344 I HN 0.379 nan 8.210 nan 0.000 0.470 345 L N 6.379 127.658 121.223 0.094 0.000 2.322 345 L HA 0.723 5.063 4.340 -0.000 0.000 0.279 345 L C 1.022 177.870 176.870 -0.037 0.000 1.036 345 L CA -0.204 54.653 54.840 0.028 0.000 0.807 345 L CB 1.429 43.514 42.059 0.043 0.000 1.226 345 L HN 0.880 nan 8.230 nan 0.000 0.433 346 A N 1.899 124.691 122.820 -0.046 0.000 5.483 346 A HA -0.357 3.963 4.320 -0.000 0.000 0.309 346 A C 1.637 179.226 177.584 0.008 0.000 1.898 346 A CA 1.411 53.435 52.037 -0.022 0.000 0.716 346 A CB -1.528 17.470 19.000 -0.004 0.000 1.309 346 A HN 1.100 nan 8.150 nan 0.000 0.380 347 H N 0.702 119.772 119.070 0.000 0.000 2.457 347 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 347 H C 1.667 177.016 175.328 0.036 0.000 1.092 347 H CA 1.917 57.980 56.048 0.026 0.000 1.309 347 H CB -0.365 29.421 29.762 0.039 0.000 1.382 347 H HN 0.706 nan 8.280 nan 0.000 0.535 348 K N 0.580 120.622 120.400 -0.596 0.000 2.283 348 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 348 K C 2.455 178.989 176.600 -0.110 0.000 1.048 348 K CA 0.805 56.867 56.287 -0.374 0.000 0.948 348 K CB 0.080 32.384 32.500 -0.328 0.000 0.742 348 K HN 0.371 nan 8.250 nan 0.000 0.458 349 A N 0.929 123.718 122.820 -0.052 0.000 1.968 349 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 349 A C 1.985 179.587 177.584 0.029 0.000 1.169 349 A CA 1.105 53.154 52.037 0.019 0.000 0.638 349 A CB -0.145 18.883 19.000 0.046 0.000 0.812 349 A HN 0.100 nan 8.150 nan 0.000 0.446 350 R N -0.266 120.251 120.500 0.029 0.000 2.090 350 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 350 R C 2.258 178.581 176.300 0.039 0.000 1.110 350 R CA 1.597 57.723 56.100 0.044 0.000 0.973 350 R CB -0.200 30.139 30.300 0.065 0.000 0.869 350 R HN 0.593 nan 8.270 nan 0.000 0.440 351 K N 0.477 120.897 120.400 0.034 0.000 2.007 351 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 351 K C 1.647 178.261 176.600 0.024 0.000 1.047 351 K CA 1.053 57.362 56.287 0.036 0.000 0.937 351 K CB 0.043 32.569 32.500 0.045 0.000 0.718 351 K HN 0.133 nan 8.250 nan 0.000 0.438 352 L N 0.772 122.004 121.223 0.015 0.000 2.376 352 L HA -0.014 4.326 4.340 -0.000 0.000 0.219 352 L C 2.430 179.318 176.870 0.030 0.000 1.133 352 L CA 0.617 55.469 54.840 0.019 0.000 0.816 352 L CB -0.499 41.570 42.059 0.017 0.000 0.933 352 L HN 0.267 nan 8.230 nan 0.000 0.449 353 A N 0.645 123.484 122.820 0.033 0.000 2.019 353 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 353 A C 2.345 179.945 177.584 0.027 0.000 1.164 353 A CA 1.091 53.148 52.037 0.034 0.000 0.644 353 A CB -0.372 18.648 19.000 0.033 0.000 0.805 353 A HN 0.382 nan 8.150 nan 0.000 0.449 354 R N -0.472 120.042 120.500 0.023 0.000 2.152 354 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 354 R C 0.295 176.605 176.300 0.018 0.000 1.117 354 R CA 0.292 56.404 56.100 0.019 0.000 0.981 354 R CB -0.600 29.711 30.300 0.018 0.000 0.870 354 R HN 0.434 nan 8.270 nan 0.000 0.451 355 L N 1.377 122.611 121.223 0.019 0.000 2.472 355 L HA 0.056 4.396 4.340 -0.000 0.000 0.260 355 L C 1.121 178.003 176.870 0.021 0.000 1.209 355 L CA -0.237 54.612 54.840 0.016 0.000 0.817 355 L CB 0.307 42.373 42.059 0.011 0.000 1.106 355 L HN 0.159 nan 8.230 nan 0.000 0.479 356 T N -2.383 112.181 114.554 0.017 0.000 2.828 356 T HA 0.093 4.443 4.350 -0.000 0.000 0.290 356 T C 0.915 175.636 174.700 0.036 0.000 1.019 356 T CA -0.654 61.461 62.100 0.024 0.000 1.031 356 T CB 1.221 70.099 68.868 0.017 0.000 1.001 356 T HN 0.687 nan 8.240 nan 0.000 0.531 357 K N 0.334 120.770 120.400 0.059 0.000 2.113 357 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 357 K C 1.816 178.450 176.600 0.057 0.000 1.047 357 K CA 1.919 58.274 56.287 0.114 0.000 0.928 357 K CB -0.135 32.447 32.500 0.137 0.000 0.716 357 K HN 0.713 nan 8.250 nan 0.000 0.446 358 E N 0.439 120.646 120.200 0.012 0.000 2.158 358 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 358 E C 1.724 178.280 176.600 -0.074 0.000 0.982 358 E CA 0.978 57.354 56.400 -0.041 0.000 0.823 358 E CB 0.108 29.801 29.700 -0.013 0.000 0.766 358 E HN 0.370 nan 8.360 nan 0.000 0.468 359 E N 0.547 120.722 120.200 -0.042 0.000 2.077 359 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 359 E C 2.060 178.618 176.600 -0.069 0.000 0.989 359 E CA 0.808 57.181 56.400 -0.045 0.000 0.800 359 E CB -0.018 29.670 29.700 -0.020 0.000 0.746 359 E HN 0.129 nan 8.360 nan 0.000 0.452 360 R N 0.260 120.723 120.500 -0.061 0.000 2.092 360 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 360 R C 2.444 178.616 176.300 -0.213 0.000 1.119 360 R CA 0.666 56.721 56.100 -0.076 0.000 0.970 360 R CB -0.300 30.013 30.300 0.022 0.000 0.864 360 R HN 0.129 nan 8.270 nan 0.000 0.440 361 L N 1.739 122.733 121.223 -0.381 0.000 2.046 361 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 361 L C 2.190 178.865 176.870 -0.326 0.000 1.077 361 L CA 1.877 56.339 54.840 -0.630 0.000 0.747 361 L CB -0.468 41.134 42.059 -0.762 0.000 0.896 361 L HN -0.051 nan 8.230 nan 0.000 0.432 362 K N -0.300 119.977 120.400 -0.206 0.000 2.009 362 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 362 K C 2.149 178.670 176.600 -0.131 0.000 1.049 362 K CA 1.946 58.156 56.287 -0.128 0.000 0.929 362 K CB -0.135 32.315 32.500 -0.083 0.000 0.714 362 K HN 0.298 nan 8.250 nan 0.000 0.440 363 K N -0.068 120.251 120.400 -0.135 0.000 2.147 363 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 363 K C 2.029 178.502 176.600 -0.211 0.000 1.049 363 K CA 1.171 57.380 56.287 -0.130 0.000 0.936 363 K CB -0.072 32.370 32.500 -0.096 0.000 0.722 363 K HN 0.074 nan 8.250 nan 0.000 0.446 364 L N 0.298 121.344 121.223 -0.296 0.000 2.131 364 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 364 L C 2.267 178.702 176.870 -0.725 0.000 1.087 364 L CA 1.345 55.848 54.840 -0.561 0.000 0.767 364 L CB -0.323 41.471 42.059 -0.442 0.000 0.917 364 L HN 0.205 nan 8.230 nan 0.000 0.441 365 C N -0.803 118.321 119.300 -0.294 0.000 2.453 365 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 365 C C 2.604 177.577 174.990 -0.028 0.000 1.262 365 C CA 0.342 59.341 59.018 -0.031 0.000 1.718 365 C CB -0.617 27.163 27.740 0.066 0.000 2.031 365 C HN 0.534 nan 8.230 nan 0.000 0.480 366 E N 0.572 120.730 120.200 -0.071 0.000 2.065 366 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 366 E C 1.969 178.533 176.600 -0.060 0.000 1.016 366 E CA 1.501 57.872 56.400 -0.047 0.000 0.818 366 E CB -0.373 29.297 29.700 -0.050 0.000 0.749 366 E HN 0.479 nan 8.360 nan 0.000 0.453 367 L N 0.353 121.492 121.223 -0.140 0.000 1.990 367 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 367 L C 2.008 178.849 176.870 -0.049 0.000 1.072 367 L CA 1.871 56.625 54.840 -0.143 0.000 0.755 367 L CB -0.710 41.208 42.059 -0.234 0.000 0.889 367 L HN 0.272 nan 8.230 nan 0.000 0.432 368 Y N -1.049 119.234 120.300 -0.029 0.000 2.314 368 Y HA -0.140 4.410 4.550 -0.000 0.000 0.293 368 Y C 2.484 178.377 175.900 -0.012 0.000 1.129 368 Y CA 0.237 58.314 58.100 -0.039 0.000 1.201 368 Y CB -0.405 38.070 38.460 0.024 0.000 0.999 368 Y HN 0.383 nan 8.280 nan 0.000 0.541 369 A N 0.771 123.693 122.820 0.170 0.000 1.883 369 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 369 A C 2.067 179.683 177.584 0.052 0.000 1.186 369 A CA 1.913 54.009 52.037 0.098 0.000 0.624 369 A CB -0.522 18.512 19.000 0.057 0.000 0.822 369 A HN 0.357 nan 8.150 nan 0.000 0.444 370 K N -0.676 119.733 120.400 0.015 0.000 2.026 370 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 370 K C 1.843 178.404 176.600 -0.066 0.000 1.048 370 K CA 1.658 57.940 56.287 -0.008 0.000 0.929 370 K CB -0.290 32.198 32.500 -0.019 0.000 0.713 370 K HN 0.313 nan 8.250 nan 0.000 0.439 371 V N 1.115 120.917 119.914 -0.185 0.000 2.488 371 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 371 V C 2.023 178.007 176.094 -0.184 0.000 1.046 371 V CA 1.340 63.434 62.300 -0.344 0.000 1.053 371 V CB -0.286 31.297 31.823 -0.400 0.000 0.679 371 V HN 0.256 nan 8.190 nan 0.000 0.458 372 L N 0.357 121.527 121.223 -0.088 0.000 2.270 372 L HA 0.274 4.614 4.340 -0.000 0.000 0.210 372 L C 1.625 178.590 176.870 0.158 0.000 1.104 372 L CA 0.968 55.797 54.840 -0.019 0.000 0.804 372 L CB -0.510 41.629 42.059 0.133 0.000 0.937 372 L HN 0.555 nan 8.230 nan 0.000 0.450 373 G N 0.599 109.469 108.800 0.117 0.000 2.289 373 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.280 373 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.280 373 G C -0.043 174.934 174.900 0.128 0.000 1.089 373 G CA 0.274 45.447 45.100 0.122 0.000 0.939 373 G HN 0.240 nan 8.290 nan 0.000 0.499 374 S N -0.872 114.889 115.700 0.101 0.000 2.677 374 S HA 0.471 4.941 4.470 -0.000 0.000 0.283 374 S C 1.281 175.836 174.600 -0.075 0.000 1.159 374 S CA -0.717 57.496 58.200 0.020 0.000 1.001 374 S CB 1.365 64.605 63.200 0.067 0.000 1.032 374 S HN 0.325 nan 8.310 nan 0.000 0.487 375 L N 2.575 123.735 121.223 -0.105 0.000 2.191 375 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 375 L C 2.190 178.931 176.870 -0.214 0.000 1.103 375 L CA 1.173 55.947 54.840 -0.112 0.000 0.769 375 L CB -0.271 41.741 42.059 -0.078 0.000 0.908 375 L HN 0.721 nan 8.230 nan 0.000 0.438 376 E N 0.500 120.433 120.200 -0.446 0.000 2.209 376 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 376 E C 2.198 178.363 176.600 -0.725 0.000 0.993 376 E CA 1.120 57.083 56.400 -0.729 0.000 0.819 376 E CB -0.150 28.754 29.700 -1.326 0.000 0.745 376 E HN 0.528 nan 8.360 nan 0.000 0.477 377 A N 1.079 123.560 122.820 -0.564 0.000 2.121 377 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 377 A C 2.030 179.756 177.584 0.237 0.000 1.154 377 A CA 0.663 52.676 52.037 -0.041 0.000 0.679 377 A CB -0.315 18.820 19.000 0.225 0.000 0.795 377 A HN 0.145 nan 8.150 nan 0.000 0.458 378 L N -0.415 120.864 121.223 0.094 0.000 2.591 378 L HA 0.084 4.424 4.340 -0.000 0.000 0.228 378 L C 0.217 177.171 176.870 0.139 0.000 1.133 378 L CA 0.120 55.025 54.840 0.109 0.000 0.880 378 L CB 0.108 42.186 42.059 0.033 0.000 1.033 378 L HN 0.201 nan 8.230 nan 0.000 0.450 379 E N 1.352 121.675 120.200 0.206 0.000 2.989 379 E HA 0.259 4.609 4.350 -0.000 0.000 0.224 379 E C -2.273 174.537 176.600 0.350 0.000 1.175 379 E CA -1.730 54.796 56.400 0.209 0.000 1.300 379 E CB 0.174 29.946 29.700 0.120 0.000 1.422 379 E HN 0.151 nan 8.360 nan 0.000 0.439 380 P HA 0.041 nan 4.420 nan 0.000 0.278 380 P C 1.112 178.461 177.300 0.081 0.000 1.238 380 P CA -0.230 62.889 63.100 0.032 0.000 0.794 380 P CB 1.758 33.418 31.700 -0.066 0.000 0.955 381 V N -0.958 119.014 119.914 0.095 0.000 3.307 381 V HA 0.242 4.362 4.120 -0.000 0.000 0.253 381 V C 0.492 176.715 176.094 0.216 0.000 1.149 381 V CA 1.039 63.426 62.300 0.144 0.000 1.112 381 V CB -1.182 30.724 31.823 0.138 0.000 0.777 381 V HN 0.655 nan 8.190 nan 0.000 0.464 382 H N -1.123 118.025 119.070 0.129 0.000 3.064 382 H HA 0.627 5.183 4.556 -0.000 0.000 0.352 382 H C -2.225 173.334 175.328 0.385 0.000 1.260 382 H CA -0.999 55.145 56.048 0.160 0.000 1.160 382 H CB 1.987 31.729 29.762 -0.035 0.000 1.879 382 H HN 0.189 nan 8.280 nan 0.000 0.544 383 Y N 2.326 122.317 120.300 -0.514 0.000 2.396 383 Y HA 0.460 5.010 4.550 -0.000 0.000 0.332 383 Y C -1.504 174.213 175.900 -0.304 0.000 1.034 383 Y CA -0.610 57.350 58.100 -0.232 0.000 1.057 383 Y CB 1.524 39.910 38.460 -0.124 0.000 1.220 383 Y HN 0.584 nan 8.280 nan 0.000 0.440 384 E N 4.862 124.774 120.200 -0.480 0.000 2.238 384 E HA 0.383 4.733 4.350 -0.000 0.000 0.267 384 E C -1.369 174.850 176.600 -0.635 0.000 0.887 384 E CA -0.818 55.321 56.400 -0.434 0.000 0.769 384 E CB 2.614 32.278 29.700 -0.059 0.000 1.187 384 E HN 0.784 nan 8.360 nan 0.000 0.416 385 E N 0.664 120.598 120.200 -0.443 0.000 2.366 385 E HA 0.580 4.930 4.350 -0.000 0.000 0.278 385 E C -1.253 175.289 176.600 -0.095 0.000 0.923 385 E CA -1.009 55.226 56.400 -0.275 0.000 0.761 385 E CB 2.413 31.936 29.700 -0.295 0.000 1.231 385 E HN 0.155 nan 8.360 nan 0.000 0.443 386 K N 1.989 122.385 120.400 -0.007 0.000 2.545 386 K HA 0.259 4.579 4.320 -0.000 0.000 0.252 386 K C -1.222 175.339 176.600 -0.066 0.000 0.948 386 K CA -0.781 55.442 56.287 -0.106 0.000 0.827 386 K CB 1.302 33.657 32.500 -0.241 0.000 1.128 386 K HN 0.534 nan 8.250 nan 0.000 0.429 387 N N 4.303 122.938 118.700 -0.108 0.000 2.482 387 N HA 0.041 4.781 4.740 -0.000 0.000 0.242 387 N C -0.130 175.353 175.510 -0.045 0.000 1.100 387 N CA -0.201 52.847 53.050 -0.003 0.000 0.946 387 N CB 0.278 38.770 38.487 0.008 0.000 1.227 387 N HN 0.650 nan 8.380 nan 0.000 0.508 388 W N 2.006 123.349 121.300 0.072 0.000 2.611 388 W HA 0.006 4.666 4.660 -0.000 0.000 0.251 388 W C 2.031 178.569 176.519 0.032 0.000 1.265 388 W CA -0.038 57.343 57.345 0.060 0.000 1.295 388 W CB -0.220 29.292 29.460 0.086 0.000 1.129 388 W HN 0.574 nan 8.180 nan 0.000 0.630 389 C N 0.475 119.885 119.300 0.183 0.000 2.432 389 C HA -0.146 4.314 4.460 -0.000 0.000 0.282 389 C C 2.235 177.258 174.990 0.055 0.000 1.388 389 C CA 1.255 60.337 59.018 0.106 0.000 1.777 389 C CB -1.442 26.344 27.740 0.077 0.000 1.882 389 C HN 0.477 nan 8.230 nan 0.000 0.520 390 E N 0.931 121.146 120.200 0.025 0.000 2.481 390 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 390 E C -0.016 176.568 176.600 -0.027 0.000 1.047 390 E CA 0.284 56.676 56.400 -0.014 0.000 0.867 390 E CB -0.244 29.434 29.700 -0.036 0.000 0.858 390 E HN 0.537 nan 8.360 nan 0.000 0.513 391 E N 2.310 122.512 120.200 0.004 0.000 2.220 391 E HA -0.061 4.289 4.350 -0.000 0.000 0.272 391 E C 0.642 177.237 176.600 -0.009 0.000 1.099 391 E CA 0.177 56.587 56.400 0.017 0.000 0.907 391 E CB 1.360 31.134 29.700 0.122 0.000 1.022 391 E HN 0.376 nan 8.360 nan 0.000 0.428 392 Q N 3.217 122.958 119.800 -0.099 0.000 2.119 392 Q HA -0.169 4.171 4.340 -0.000 0.000 0.201 392 Q C 0.360 176.140 176.000 -0.366 0.000 0.972 392 Q CA 1.480 57.109 55.803 -0.290 0.000 0.847 392 Q CB 0.106 28.564 28.738 -0.467 0.000 0.903 392 Q HN 0.602 nan 8.270 nan 0.000 0.433 393 Y N -0.596 119.728 120.300 0.039 0.000 2.524 393 Y HA 0.310 4.860 4.550 -0.000 0.000 0.266 393 Y C 1.495 177.444 175.900 0.082 0.000 1.180 393 Y CA -0.253 57.877 58.100 0.050 0.000 1.244 393 Y CB 0.950 39.434 38.460 0.038 0.000 1.125 393 Y HN 0.099 nan 8.280 nan 0.000 0.524 394 S N -1.383 114.429 115.700 0.187 0.000 2.748 394 S HA 0.290 4.760 4.470 -0.000 0.000 0.241 394 S C 1.898 176.560 174.600 0.103 0.000 1.064 394 S CA 0.614 58.922 58.200 0.179 0.000 0.892 394 S CB 0.364 63.737 63.200 0.287 0.000 0.810 394 S HN 0.532 nan 8.310 nan 0.000 0.555 395 G N 1.002 109.847 108.800 0.075 0.000 2.199 395 G HA2 0.098 4.058 3.960 -0.000 0.000 0.254 395 G HA3 0.098 4.058 3.960 -0.000 0.000 0.254 395 G C 0.497 175.427 174.900 0.051 0.000 0.982 395 G CA 0.088 45.206 45.100 0.029 0.000 0.632 395 G HN 1.371 nan 8.290 nan 0.000 0.529 396 G N -2.354 106.514 108.800 0.113 0.000 2.350 396 G HA2 0.513 4.473 3.960 -0.000 0.000 0.282 396 G HA3 0.513 4.473 3.960 -0.000 0.000 0.282 396 G C -0.907 174.054 174.900 0.101 0.000 1.314 396 G CA 0.320 45.491 45.100 0.118 0.000 0.915 396 G HN 1.577 nan 8.290 nan 0.000 0.499 397 C N -1.794 117.516 119.300 0.017 0.000 3.292 397 C HA 0.558 5.018 4.460 -0.000 0.000 0.338 397 C C 0.815 175.641 174.990 -0.274 0.000 1.323 397 C CA -0.651 58.314 59.018 -0.088 0.000 1.232 397 C CB 0.558 28.173 27.740 -0.208 0.000 1.517 397 C HN 0.759 nan 8.230 nan 0.000 0.470 398 Y N 0.621 120.847 120.300 -0.123 0.000 2.263 398 Y HA 0.195 4.745 4.550 -0.000 0.000 0.292 398 Y C 1.642 177.497 175.900 -0.075 0.000 1.130 398 Y CA 1.397 59.393 58.100 -0.173 0.000 1.179 398 Y CB -0.527 37.800 38.460 -0.221 0.000 0.998 398 Y HN 0.678 nan 8.280 nan 0.000 0.532 399 T N -1.735 112.890 114.554 0.118 0.000 2.654 399 T HA 0.391 4.741 4.350 -0.000 0.000 0.289 399 T C -0.631 174.142 174.700 0.122 0.000 1.062 399 T CA -0.690 61.513 62.100 0.172 0.000 1.041 399 T CB 1.187 70.252 68.868 0.330 0.000 1.417 399 T HN -0.122 nan 8.240 nan 0.000 0.510 400 T N 2.451 117.088 114.554 0.138 0.000 2.832 400 T HA 0.489 4.839 4.350 -0.000 0.000 0.296 400 T C -0.918 173.761 174.700 -0.035 0.000 0.968 400 T CA 0.018 62.093 62.100 -0.042 0.000 1.107 400 T CB -0.330 68.483 68.868 -0.093 0.000 0.916 400 T HN 0.471 nan 8.240 nan 0.000 0.517 401 Y N 1.045 121.101 120.300 -0.405 0.000 2.528 401 Y HA 0.806 5.356 4.550 -0.000 0.000 0.335 401 Y C -1.353 173.990 175.900 -0.928 0.000 1.093 401 Y CA -2.269 55.260 58.100 -0.951 0.000 1.134 401 Y CB 0.784 38.773 38.460 -0.786 0.000 1.253 401 Y HN 0.399 nan 8.280 nan 0.000 0.478 402 F N 2.974 122.271 119.950 -1.088 0.000 2.426 402 F HA 0.601 5.128 4.527 -0.000 0.000 0.348 402 F C -2.302 173.409 175.800 -0.150 0.000 1.124 402 F CA -2.639 55.039 58.000 -0.536 0.000 1.008 402 F CB 1.522 40.263 39.000 -0.433 0.000 1.139 402 F HN 0.363 nan 8.300 nan 0.000 0.452 403 P HA 0.239 nan 4.420 nan 0.000 0.279 403 P C -2.665 174.732 177.300 0.161 0.000 1.282 403 P CA -1.547 61.644 63.100 0.151 0.000 0.788 403 P CB -0.063 31.688 31.700 0.084 0.000 1.139 404 P HA 0.052 nan 4.420 nan 0.000 0.264 404 P C 0.988 178.370 177.300 0.136 0.000 1.193 404 P CA 1.383 64.570 63.100 0.145 0.000 0.763 404 P CB -0.241 31.527 31.700 0.115 0.000 0.810 405 G N 3.151 112.045 108.800 0.157 0.000 2.383 405 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.229 405 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.229 405 G C 0.990 176.001 174.900 0.185 0.000 1.089 405 G CA 0.256 45.444 45.100 0.147 0.000 0.640 405 G HN 0.412 nan 8.290 nan 0.000 0.510 406 I N 1.020 121.723 120.570 0.221 0.000 2.127 406 I HA -0.070 4.100 4.170 -0.000 0.000 0.241 406 I C 2.779 179.124 176.117 0.380 0.000 1.075 406 I CA 1.903 63.395 61.300 0.319 0.000 1.334 406 I CB -1.589 36.533 38.000 0.204 0.000 1.040 406 I HN 0.358 nan 8.210 nan 0.000 0.405 407 L N 1.041 122.473 121.223 0.348 0.000 2.013 407 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 407 L C 2.713 179.663 176.870 0.134 0.000 1.073 407 L CA 2.846 57.786 54.840 0.168 0.000 0.753 407 L CB -1.162 40.879 42.059 -0.029 0.000 0.890 407 L HN 0.510 nan 8.230 nan 0.000 0.432 408 T N -3.938 110.701 114.554 0.143 0.000 2.867 408 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 408 T C 1.778 176.446 174.700 -0.053 0.000 1.057 408 T CA 1.103 63.262 62.100 0.099 0.000 1.136 408 T CB -0.364 68.566 68.868 0.103 0.000 0.874 408 T HN 0.425 nan 8.240 nan 0.000 0.466 409 Q N 0.077 119.848 119.800 -0.048 0.000 2.096 409 Q HA 0.077 4.417 4.340 -0.000 0.000 0.197 409 Q C 1.213 176.895 176.000 -0.530 0.000 0.964 409 Q CA 1.241 56.855 55.803 -0.314 0.000 0.838 409 Q CB -0.081 28.438 28.738 -0.364 0.000 0.906 409 Q HN 0.756 nan 8.270 nan 0.000 0.444 410 Y N -1.178 119.055 120.300 -0.112 0.000 2.527 410 Y HA 0.273 4.823 4.550 -0.000 0.000 0.247 410 Y C 2.014 177.800 175.900 -0.190 0.000 1.138 410 Y CA 0.034 58.053 58.100 -0.136 0.000 1.228 410 Y CB 0.177 38.602 38.460 -0.060 0.000 1.252 410 Y HN 0.086 nan 8.280 nan 0.000 0.531 411 G N 0.978 109.694 108.800 -0.140 0.000 2.514 411 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 411 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 411 G C 1.677 176.159 174.900 -0.696 0.000 1.198 411 G CA 1.081 46.020 45.100 -0.269 0.000 0.780 411 G HN 0.280 nan 8.290 nan 0.000 0.565 412 R N -0.379 119.251 120.500 -1.451 0.000 2.178 412 R HA -0.141 4.199 4.340 -0.000 0.000 0.257 412 R C 2.548 178.620 176.300 -0.380 0.000 1.163 412 R CA 1.489 56.947 56.100 -1.070 0.000 0.981 412 R CB -0.656 29.122 30.300 -0.869 0.000 0.878 412 R HN 0.343 nan 8.270 nan 0.000 0.454 413 V N 1.290 121.033 119.914 -0.285 0.000 2.913 413 V HA -0.177 3.943 4.120 -0.000 0.000 0.260 413 V C 2.252 178.257 176.094 -0.148 0.000 1.098 413 V CA 1.149 63.349 62.300 -0.166 0.000 1.121 413 V CB -0.441 31.311 31.823 -0.118 0.000 0.714 413 V HN 0.321 nan 8.190 nan 0.000 0.487 414 L N 0.737 121.909 121.223 -0.085 0.000 1.971 414 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 414 L C 2.378 179.192 176.870 -0.093 0.000 1.072 414 L CA 2.292 57.104 54.840 -0.047 0.000 0.758 414 L CB -0.221 41.915 42.059 0.129 0.000 0.889 414 L HN 0.456 nan 8.230 nan 0.000 0.433 415 R N -0.687 119.859 120.500 0.077 0.000 2.613 415 R HA 0.175 4.515 4.340 -0.000 0.000 0.361 415 R C 0.310 176.758 176.300 0.247 0.000 1.072 415 R CA -0.270 55.962 56.100 0.219 0.000 1.089 415 R CB -0.012 30.477 30.300 0.315 0.000 1.343 415 R HN 0.191 nan 8.270 nan 0.000 0.571 416 Q N 2.547 122.421 119.800 0.123 0.000 2.297 416 Q HA 0.208 4.548 4.340 -0.000 0.000 0.267 416 Q C -2.177 173.944 176.000 0.202 0.000 1.006 416 Q CA -1.965 53.906 55.803 0.112 0.000 0.896 416 Q CB 0.984 29.730 28.738 0.014 0.000 1.186 416 Q HN 0.075 nan 8.270 nan 0.000 0.392 417 P HA -0.023 nan 4.420 nan 0.000 0.268 417 P C -1.278 176.017 177.300 -0.007 0.000 1.205 417 P CA -0.114 62.922 63.100 -0.107 0.000 0.771 417 P CB 0.723 32.069 31.700 -0.591 0.000 0.858 418 V N 3.661 123.599 119.914 0.040 0.000 2.277 418 V HA 0.129 4.249 4.120 -0.000 0.000 0.269 418 V C 0.747 176.820 176.094 -0.034 0.000 1.036 418 V CA 0.231 62.547 62.300 0.026 0.000 0.821 418 V CB -0.111 31.762 31.823 0.083 0.000 1.052 418 V HN 0.772 nan 8.190 nan 0.000 0.462 419 D N 3.974 124.351 120.400 -0.039 0.000 4.372 419 D HA -0.307 4.333 4.640 -0.000 0.000 0.169 419 D C 1.460 177.759 176.300 -0.002 0.000 0.680 419 D CA 2.435 56.429 54.000 -0.009 0.000 1.152 419 D CB -0.280 40.529 40.800 0.014 0.000 0.585 419 D HN 0.550 nan 8.370 nan 0.000 0.493 420 R N -0.084 120.449 120.500 0.055 0.000 2.362 420 R HA 0.409 4.749 4.340 -0.000 0.000 0.227 420 R C -0.015 176.435 176.300 0.250 0.000 0.905 420 R CA -0.084 56.157 56.100 0.235 0.000 1.067 420 R CB 0.321 30.686 30.300 0.109 0.000 1.078 420 R HN 0.326 nan 8.270 nan 0.000 0.516 421 I N 1.494 122.053 120.570 -0.019 0.000 2.371 421 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 421 I C -0.476 175.326 176.117 -0.524 0.000 1.028 421 I CA -0.343 60.858 61.300 -0.166 0.000 1.345 421 I CB 0.370 38.250 38.000 -0.200 0.000 1.407 421 I HN -0.103 nan 8.210 nan 0.000 0.501 422 Y N 5.439 125.482 120.300 -0.428 0.000 2.528 422 Y HA 0.560 5.110 4.550 -0.000 0.000 0.335 422 Y C -0.446 175.061 175.900 -0.655 0.000 1.093 422 Y CA -0.881 56.974 58.100 -0.409 0.000 1.134 422 Y CB 1.353 39.718 38.460 -0.160 0.000 1.253 422 Y HN 0.276 nan 8.280 nan 0.000 0.478 423 F N 1.045 121.101 119.950 0.176 0.000 2.449 423 F HA 0.733 5.260 4.527 -0.000 0.000 0.342 423 F C 0.374 176.249 175.800 0.125 0.000 1.127 423 F CA -0.602 57.477 58.000 0.132 0.000 0.975 423 F CB 1.228 40.291 39.000 0.106 0.000 1.146 423 F HN 0.603 nan 8.300 nan 0.000 0.444 424 A N 2.168 125.141 122.820 0.256 0.000 3.521 424 A HA 0.983 5.303 4.320 -0.000 0.000 0.181 424 A C 0.271 177.986 177.584 0.219 0.000 1.386 424 A CA -0.467 51.685 52.037 0.192 0.000 0.873 424 A CB 0.282 19.350 19.000 0.113 0.000 1.634 424 A HN 1.531 nan 8.150 nan 0.000 0.551 425 G N -2.550 106.357 108.800 0.178 0.000 2.712 425 G HA2 0.141 4.101 3.960 -0.000 0.000 0.686 425 G HA3 0.141 4.101 3.960 -0.000 0.000 0.686 425 G C 0.421 175.447 174.900 0.211 0.000 1.181 425 G CA 0.633 45.844 45.100 0.185 0.000 0.762 425 G HN 1.556 nan 8.290 nan 0.000 0.641 426 T N -0.065 114.617 114.554 0.213 0.000 2.803 426 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 426 T C 2.149 177.049 174.700 0.333 0.000 1.052 426 T CA 2.660 64.915 62.100 0.259 0.000 1.136 426 T CB -0.212 68.807 68.868 0.252 0.000 0.864 426 T HN 0.609 nan 8.240 nan 0.000 0.467 427 E N 0.680 121.081 120.200 0.334 0.000 2.219 427 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 427 E C 2.131 178.991 176.600 0.433 0.000 0.998 427 E CA 1.673 58.321 56.400 0.414 0.000 0.818 427 E CB -0.288 29.608 29.700 0.326 0.000 0.741 427 E HN 0.720 nan 8.360 nan 0.000 0.477 428 T N -2.683 112.087 114.554 0.360 0.000 3.163 428 T HA 0.558 4.908 4.350 -0.000 0.000 0.252 428 T C 0.592 175.529 174.700 0.396 0.000 1.056 428 T CA -0.013 62.302 62.100 0.359 0.000 0.947 428 T CB 0.268 69.324 68.868 0.314 0.000 1.016 428 T HN 0.107 nan 8.240 nan 0.000 0.554 429 A N 1.492 124.556 122.820 0.406 0.000 2.257 429 A HA 0.642 4.962 4.320 -0.000 0.000 0.289 429 A C 1.356 179.205 177.584 0.442 0.000 1.095 429 A CA -0.075 52.200 52.037 0.396 0.000 0.836 429 A CB 0.634 19.828 19.000 0.323 0.000 1.111 429 A HN 0.478 nan 8.150 nan 0.000 0.497 430 T N -3.018 111.767 114.554 0.385 0.000 3.043 430 T HA 0.270 4.620 4.350 -0.000 0.000 0.272 430 T C 0.093 174.882 174.700 0.148 0.000 0.990 430 T CA 0.521 62.801 62.100 0.300 0.000 0.897 430 T CB -0.456 68.537 68.868 0.208 0.000 1.111 430 T HN 0.755 nan 8.240 nan 0.000 0.529 431 H N -1.032 118.051 119.070 0.023 0.000 3.018 431 H HA 0.303 4.859 4.556 -0.000 0.000 0.334 431 H C -1.045 174.282 175.328 -0.002 0.000 0.983 431 H CA -1.074 54.904 56.048 -0.117 0.000 1.363 431 H CB 0.834 30.589 29.762 -0.012 0.000 1.668 431 H HN 0.314 nan 8.280 nan 0.000 0.513 432 W N 2.179 123.264 121.300 -0.358 0.000 4.034 432 W HA -0.252 4.408 4.660 0.000 0.000 0.345 432 W C 0.438 176.895 176.519 -0.104 0.000 1.308 432 W CA 0.859 57.923 57.345 -0.469 0.000 0.740 432 W CB -1.640 27.467 29.460 -0.589 0.000 2.404 432 W HN 0.418 nan 8.180 nan 0.000 1.353 433 S N 0.523 116.261 115.700 0.063 0.000 2.558 433 S HA 0.359 4.829 4.470 -0.000 0.000 0.291 433 S C 1.475 176.326 174.600 0.420 0.000 1.306 433 S CA 1.879 60.239 58.200 0.267 0.000 1.056 433 S CB 0.736 64.144 63.200 0.348 0.000 0.836 433 S HN 1.497 nan 8.310 nan 0.000 0.504 434 G N 2.909 112.010 108.800 0.501 0.000 2.234 434 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 434 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 434 G C 0.032 175.080 174.900 0.246 0.000 0.987 434 G CA 0.466 45.858 45.100 0.487 0.000 0.625 434 G HN 0.589 nan 8.290 nan 0.000 0.532 435 F N -0.619 119.451 119.950 0.199 0.000 2.525 435 F HA 0.749 5.276 4.527 -0.000 0.000 0.346 435 F C 1.992 177.835 175.800 0.071 0.000 1.072 435 F CA -0.882 57.184 58.000 0.111 0.000 1.033 435 F CB 0.559 39.618 39.000 0.099 0.000 1.324 435 F HN -0.100 nan 8.300 nan 0.000 0.491 436 M N -0.155 119.570 119.600 0.209 0.000 2.175 436 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 436 M C 1.948 178.316 176.300 0.113 0.000 1.063 436 M CA 1.499 56.876 55.300 0.128 0.000 1.119 436 M CB -0.402 32.261 32.600 0.106 0.000 1.377 436 M HN 0.718 nan 8.290 nan 0.000 0.415 437 E N 0.872 121.115 120.200 0.072 0.000 2.086 437 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 437 E C 1.918 178.578 176.600 0.100 0.000 1.012 437 E CA 2.131 58.534 56.400 0.005 0.000 0.812 437 E CB -0.628 28.942 29.700 -0.216 0.000 0.743 437 E HN 0.450 nan 8.360 nan 0.000 0.453 438 G N -0.295 108.621 108.800 0.194 0.000 2.421 438 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 438 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 438 G C 1.673 176.690 174.900 0.195 0.000 1.143 438 G CA 0.792 46.026 45.100 0.224 0.000 0.784 438 G HN 0.457 nan 8.290 nan 0.000 0.541 439 A N 0.214 123.137 122.820 0.172 0.000 1.972 439 A HA 0.103 4.423 4.320 -0.000 0.000 0.219 439 A C 2.553 180.199 177.584 0.103 0.000 1.169 439 A CA 1.769 53.890 52.037 0.139 0.000 0.635 439 A CB -0.401 18.671 19.000 0.120 0.000 0.810 439 A HN 0.240 nan 8.150 nan 0.000 0.446 440 V N -0.256 119.710 119.914 0.088 0.000 2.302 440 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 440 V C 2.467 178.598 176.094 0.063 0.000 1.036 440 V CA 1.882 64.218 62.300 0.060 0.000 1.020 440 V CB -0.776 31.073 31.823 0.044 0.000 0.657 440 V HN 0.694 nan 8.190 nan 0.000 0.453 441 E N 0.699 120.953 120.200 0.091 0.000 2.086 441 E HA -0.326 4.024 4.350 -0.000 0.000 0.205 441 E C 2.130 178.771 176.600 0.069 0.000 1.027 441 E CA 2.090 58.553 56.400 0.106 0.000 0.830 441 E CB -0.199 29.609 29.700 0.180 0.000 0.751 441 E HN 0.542 nan 8.360 nan 0.000 0.456 442 A N 0.044 122.926 122.820 0.103 0.000 2.119 442 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 442 A C 2.192 179.798 177.584 0.037 0.000 1.153 442 A CA 1.390 53.477 52.037 0.084 0.000 0.692 442 A CB -0.402 18.698 19.000 0.167 0.000 0.799 442 A HN 0.425 nan 8.150 nan 0.000 0.458 443 G N -0.563 108.258 108.800 0.035 0.000 2.441 443 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.212 443 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.212 443 G C 1.359 176.243 174.900 -0.026 0.000 1.164 443 G CA 0.653 45.763 45.100 0.017 0.000 0.811 443 G HN 0.581 nan 8.290 nan 0.000 0.535 444 E N 0.035 120.216 120.200 -0.032 0.000 2.153 444 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 444 E C 2.473 179.000 176.600 -0.122 0.000 0.988 444 E CA 0.368 56.734 56.400 -0.058 0.000 0.811 444 E CB -0.055 29.626 29.700 -0.031 0.000 0.746 444 E HN 0.293 nan 8.360 nan 0.000 0.466 445 R N 0.929 121.321 120.500 -0.180 0.000 2.062 445 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 445 R C 2.189 178.319 176.300 -0.283 0.000 1.128 445 R CA 1.234 57.119 56.100 -0.358 0.000 0.960 445 R CB -0.192 29.734 30.300 -0.623 0.000 0.855 445 R HN 0.114 nan 8.270 nan 0.000 0.432 446 A N 0.637 123.360 122.820 -0.162 0.000 2.019 446 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 446 A C 2.235 179.717 177.584 -0.171 0.000 1.164 446 A CA 1.524 53.505 52.037 -0.094 0.000 0.644 446 A CB -0.425 18.575 19.000 -0.000 0.000 0.805 446 A HN 0.539 nan 8.150 nan 0.000 0.449 447 A N -0.043 122.684 122.820 -0.155 0.000 1.874 447 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 447 A C 2.194 179.659 177.584 -0.197 0.000 1.189 447 A CA 1.120 53.061 52.037 -0.160 0.000 0.615 447 A CB -0.383 18.557 19.000 -0.100 0.000 0.830 447 A HN 0.500 nan 8.150 nan 0.000 0.443 448 R N -0.085 120.308 120.500 -0.177 0.000 2.189 448 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 448 R C 1.857 178.050 176.300 -0.178 0.000 1.092 448 R CA 1.213 57.218 56.100 -0.160 0.000 0.989 448 R CB -0.219 29.994 30.300 -0.146 0.000 0.876 448 R HN 0.672 nan 8.270 nan 0.000 0.457 449 E N 0.780 120.836 120.200 -0.241 0.000 2.047 449 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 449 E C 2.021 178.342 176.600 -0.464 0.000 0.987 449 E CA 0.985 57.243 56.400 -0.237 0.000 0.799 449 E CB -0.049 29.575 29.700 -0.126 0.000 0.752 449 E HN 0.296 nan 8.360 nan 0.000 0.449 450 I N 1.199 121.321 120.570 -0.747 0.000 2.179 450 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 450 I C 2.429 178.202 176.117 -0.574 0.000 1.088 450 I CA 0.876 61.601 61.300 -0.958 0.000 1.357 450 I CB -0.226 37.249 38.000 -0.876 0.000 1.051 450 I HN 0.127 nan 8.210 nan 0.000 0.409 451 L N 0.032 121.056 121.223 -0.333 0.000 1.990 451 L HA -0.332 4.008 4.340 -0.000 0.000 0.213 451 L C 2.759 179.549 176.870 -0.134 0.000 1.072 451 L CA 2.035 56.761 54.840 -0.189 0.000 0.755 451 L CB -0.975 41.014 42.059 -0.117 0.000 0.889 451 L HN 0.367 nan 8.230 nan 0.000 0.432 452 H N -0.152 118.812 119.070 -0.177 0.000 2.319 452 H HA -0.181 4.375 4.556 -0.000 0.000 0.299 452 H C 2.102 177.374 175.328 -0.094 0.000 1.092 452 H CA 1.771 57.756 56.048 -0.106 0.000 1.302 452 H CB -0.011 29.708 29.762 -0.071 0.000 1.373 452 H HN 0.326 nan 8.280 nan 0.000 0.497 453 A N 0.330 123.067 122.820 -0.138 0.000 2.076 453 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 453 A C 2.100 179.628 177.584 -0.093 0.000 1.160 453 A CA 1.772 53.743 52.037 -0.110 0.000 0.653 453 A CB -0.546 18.363 19.000 -0.153 0.000 0.801 453 A HN 0.582 nan 8.150 nan 0.000 0.455 454 M N -1.179 118.332 119.600 -0.149 0.000 2.453 454 M HA 0.199 4.679 4.480 -0.000 0.000 0.239 454 M C 1.302 177.553 176.300 -0.081 0.000 1.151 454 M CA 0.561 55.829 55.300 -0.053 0.000 0.989 454 M CB 0.199 32.772 32.600 -0.046 0.000 1.548 454 M HN 0.568 nan 8.290 nan 0.000 0.479 455 G N 1.387 110.091 108.800 -0.159 0.000 2.186 455 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.266 455 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.266 455 G C 0.988 175.830 174.900 -0.097 0.000 0.982 455 G CA 0.812 45.821 45.100 -0.152 0.000 0.670 455 G HN 0.527 nan 8.290 nan 0.000 0.533 456 K N -0.299 120.052 120.400 -0.082 0.000 2.288 456 K HA 0.217 4.537 4.320 -0.000 0.000 0.201 456 K C 1.390 177.975 176.600 -0.025 0.000 1.048 456 K CA 1.371 57.630 56.287 -0.047 0.000 0.956 456 K CB 0.153 32.625 32.500 -0.047 0.000 0.746 456 K HN 0.814 nan 8.250 nan 0.000 0.461 457 I N -1.930 118.634 120.570 -0.010 0.000 2.969 457 I HA 0.423 4.593 4.170 -0.000 0.000 0.307 457 I C -2.964 173.235 176.117 0.137 0.000 1.149 457 I CA -3.070 58.258 61.300 0.047 0.000 1.008 457 I CB 2.210 40.239 38.000 0.048 0.000 1.232 457 I HN -0.281 nan 8.210 nan 0.000 0.435 458 P HA 0.113 nan 4.420 nan 0.000 0.275 458 P C 0.204 177.670 177.300 0.276 0.000 1.266 458 P CA 0.015 63.241 63.100 0.210 0.000 0.793 458 P CB 1.011 32.776 31.700 0.110 0.000 1.074 459 E N 0.350 120.647 120.200 0.162 0.000 2.072 459 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 459 E C 1.408 177.983 176.600 -0.042 0.000 0.985 459 E CA 1.446 57.738 56.400 -0.181 0.000 0.801 459 E CB -0.429 29.189 29.700 -0.137 0.000 0.750 459 E HN 0.455 nan 8.360 nan 0.000 0.452 460 D N 0.354 120.775 120.400 0.034 0.000 2.265 460 D HA -0.234 4.406 4.640 -0.000 0.000 0.208 460 D C 1.186 177.529 176.300 0.071 0.000 0.977 460 D CA 1.014 55.048 54.000 0.057 0.000 0.871 460 D CB -0.218 40.613 40.800 0.051 0.000 0.925 460 D HN 0.402 nan 8.370 nan 0.000 0.485 461 E N -0.228 120.005 120.200 0.055 0.000 2.474 461 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 461 E C 2.192 178.803 176.600 0.019 0.000 1.041 461 E CA -0.274 56.154 56.400 0.046 0.000 0.874 461 E CB 0.246 29.970 29.700 0.040 0.000 0.914 461 E HN 0.367 nan 8.360 nan 0.000 0.498 462 I N 0.013 120.578 120.570 -0.008 0.000 2.127 462 I HA -0.201 3.969 4.170 -0.000 0.000 0.241 462 I C 0.484 176.477 176.117 -0.206 0.000 1.075 462 I CA 1.121 62.348 61.300 -0.121 0.000 1.334 462 I CB -0.070 37.837 38.000 -0.155 0.000 1.040 462 I HN 0.102 nan 8.210 nan 0.000 0.405 463 W N 1.548 122.849 121.300 0.001 0.000 2.361 463 W HA 0.531 5.191 4.660 -0.000 0.000 0.309 463 W C 0.078 176.606 176.519 0.016 0.000 1.122 463 W CA -0.185 57.171 57.345 0.019 0.000 1.208 463 W CB 0.653 30.126 29.460 0.020 0.000 1.246 463 W HN -0.022 nan 8.180 nan 0.000 0.490 464 Q N 2.255 122.183 119.800 0.213 0.000 2.347 464 Q HA 0.442 4.782 4.340 -0.000 0.000 0.271 464 Q C 0.075 176.154 176.000 0.130 0.000 1.064 464 Q CA -0.536 55.344 55.803 0.129 0.000 0.800 464 Q CB 1.937 30.717 28.738 0.069 0.000 1.304 464 Q HN 0.544 nan 8.270 nan 0.000 0.438 465 S N 2.082 117.842 115.700 0.101 0.000 2.655 465 S HA 0.485 4.955 4.470 -0.000 0.000 0.265 465 S C -0.337 174.310 174.600 0.077 0.000 1.240 465 S CA -0.543 57.712 58.200 0.091 0.000 0.986 465 S CB 1.423 64.662 63.200 0.065 0.000 0.985 465 S HN 0.643 nan 8.310 nan 0.000 0.562 466 E N 0.511 120.757 120.200 0.077 0.000 2.246 466 E HA 0.584 4.934 4.350 -0.000 0.000 0.266 466 E C -2.909 173.722 176.600 0.052 0.000 0.880 466 E CA -1.993 54.445 56.400 0.064 0.000 0.762 466 E CB 1.153 30.898 29.700 0.074 0.000 1.180 466 E HN 0.551 nan 8.360 nan 0.000 0.416 467 P HA 0.075 nan 4.420 nan 0.000 0.268 467 P C -0.881 176.436 177.300 0.029 0.000 1.205 467 P CA -0.195 62.923 63.100 0.030 0.000 0.771 467 P CB 0.516 32.230 31.700 0.023 0.000 0.858 468 E N 2.344 122.560 120.200 0.026 0.000 2.415 468 E HA 0.065 4.415 4.350 -0.000 0.000 0.260 468 E C -0.006 176.602 176.600 0.014 0.000 1.016 468 E CA -0.236 56.177 56.400 0.022 0.000 0.924 468 E CB 0.236 29.948 29.700 0.019 0.000 0.961 468 E HN 0.381 nan 8.360 nan 0.000 0.459 469 S N 2.911 118.616 115.700 0.009 0.000 2.571 469 S HA -0.094 4.376 4.470 -0.000 0.000 0.298 469 S C 1.071 175.674 174.600 0.005 0.000 1.280 469 S CA 0.105 58.308 58.200 0.005 0.000 1.052 469 S CB 0.575 63.773 63.200 -0.004 0.000 0.799 469 S HN 0.561 nan 8.310 nan 0.000 0.501 470 V N 1.647 121.566 119.914 0.007 0.000 3.125 470 V HA 0.129 4.249 4.120 -0.000 0.000 0.249 470 V C 1.641 177.738 176.094 0.006 0.000 1.113 470 V CA 0.965 63.269 62.300 0.007 0.000 1.106 470 V CB -0.554 31.274 31.823 0.009 0.000 0.768 470 V HN 0.807 nan 8.190 nan 0.000 0.468 471 D N 1.699 122.104 120.400 0.007 0.000 2.162 471 D HA 0.018 4.658 4.640 -0.000 0.000 0.203 471 D C 0.805 177.104 176.300 -0.002 0.000 0.967 471 D CA 1.425 55.430 54.000 0.008 0.000 0.840 471 D CB 0.503 41.313 40.800 0.016 0.000 0.972 471 D HN 0.489 nan 8.370 nan 0.000 0.482 472 V N 3.646 123.553 119.914 -0.012 0.000 2.271 472 V HA 0.214 4.334 4.120 -0.000 0.000 0.259 472 V C -2.276 173.803 176.094 -0.024 0.000 1.030 472 V CA -1.320 60.964 62.300 -0.028 0.000 0.957 472 V CB 0.934 32.724 31.823 -0.055 0.000 1.186 472 V HN -0.026 nan 8.190 nan 0.000 0.471 473 P HA 0.485 nan 4.420 nan 0.000 0.276 473 P C -0.529 176.766 177.300 -0.010 0.000 1.261 473 P CA -0.245 62.850 63.100 -0.007 0.000 0.800 473 P CB 1.579 33.278 31.700 -0.002 0.000 1.066 474 A N 1.390 124.209 122.820 -0.002 0.000 2.304 474 A HA 0.401 4.721 4.320 -0.000 0.000 0.314 474 A C -0.060 177.525 177.584 0.002 0.000 1.187 474 A CA -0.552 51.486 52.037 0.001 0.000 0.810 474 A CB 0.554 19.564 19.000 0.015 0.000 1.183 474 A HN 0.387 nan 8.150 nan 0.000 0.487 475 Q N 2.095 121.894 119.800 -0.002 0.000 2.340 475 Q HA 0.404 4.744 4.340 -0.000 0.000 0.249 475 Q C -2.236 173.762 176.000 -0.002 0.000 0.957 475 Q CA -1.654 54.148 55.803 -0.002 0.000 0.882 475 Q CB 0.308 29.044 28.738 -0.003 0.000 1.235 475 Q HN 0.574 nan 8.270 nan 0.000 0.439 476 P HA 0.307 nan 4.420 nan 0.000 0.279 476 P C -0.479 176.816 177.300 -0.010 0.000 1.252 476 P CA -0.621 62.475 63.100 -0.007 0.000 0.811 476 P CB 0.841 32.537 31.700 -0.007 0.000 1.035 477 I N 1.670 122.229 120.570 -0.017 0.000 2.416 477 I HA 0.199 4.369 4.170 -0.000 0.000 0.288 477 I C 0.940 177.049 176.117 -0.012 0.000 1.051 477 I CA 0.215 61.503 61.300 -0.020 0.000 1.375 477 I CB 0.001 37.981 38.000 -0.034 0.000 1.407 477 I HN 0.425 nan 8.210 nan 0.000 0.516 478 T N 1.680 116.232 114.554 -0.003 0.000 2.863 478 T HA 0.714 5.064 4.350 -0.000 0.000 0.285 478 T C -0.080 174.627 174.700 0.013 0.000 1.009 478 T CA -0.757 61.347 62.100 0.007 0.000 0.989 478 T CB 1.923 70.801 68.868 0.016 0.000 1.004 478 T HN 0.656 nan 8.240 nan 0.000 0.455 479 T N -0.562 114.000 114.554 0.015 0.000 2.841 479 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 479 T C 0.536 175.264 174.700 0.047 0.000 1.000 479 T CA -0.637 61.472 62.100 0.016 0.000 0.977 479 T CB 1.146 70.004 68.868 -0.017 0.000 0.979 479 T HN 1.019 nan 8.240 nan 0.000 0.446 480 T N 1.019 115.610 114.554 0.061 0.000 2.802 480 T HA 0.230 4.580 4.350 -0.000 0.000 0.305 480 T C 0.837 175.629 174.700 0.153 0.000 1.053 480 T CA -0.611 61.555 62.100 0.110 0.000 1.058 480 T CB 0.239 69.169 68.868 0.104 0.000 0.988 480 T HN 0.552 nan 8.240 nan 0.000 0.539 481 F N 1.139 121.131 119.950 0.071 0.000 2.186 481 F HA 0.083 4.610 4.527 -0.000 0.000 0.299 481 F C 1.776 177.679 175.800 0.172 0.000 1.090 481 F CA 1.133 59.214 58.000 0.134 0.000 1.307 481 F CB -0.515 38.550 39.000 0.108 0.000 1.019 481 F HN 0.489 nan 8.300 nan 0.000 0.489 482 L N 0.448 121.743 121.223 0.119 0.000 2.005 482 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 482 L C 2.334 179.198 176.870 -0.010 0.000 1.072 482 L CA 1.827 56.688 54.840 0.035 0.000 0.744 482 L CB -1.151 40.977 42.059 0.114 0.000 0.895 482 L HN 0.056 nan 8.230 nan 0.000 0.433 483 E N -0.227 119.988 120.200 0.025 0.000 2.108 483 E HA -0.338 4.012 4.350 -0.000 0.000 0.203 483 E C 2.376 178.905 176.600 -0.117 0.000 1.022 483 E CA 1.766 58.154 56.400 -0.021 0.000 0.823 483 E CB -0.219 29.472 29.700 -0.014 0.000 0.744 483 E HN 0.287 nan 8.360 nan 0.000 0.456 484 R N -0.755 119.629 120.500 -0.193 0.000 2.148 484 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 484 R C 1.579 177.555 176.300 -0.539 0.000 1.103 484 R CA 1.126 57.002 56.100 -0.374 0.000 0.983 484 R CB 0.180 30.203 30.300 -0.460 0.000 0.874 484 R HN 0.316 nan 8.270 nan 0.000 0.451 485 H N -1.447 117.454 119.070 -0.282 0.000 3.205 485 H HA 0.161 4.717 4.556 -0.000 0.000 0.252 485 H C 0.207 175.423 175.328 -0.188 0.000 1.015 485 H CA -0.228 55.638 56.048 -0.303 0.000 1.192 485 H CB 0.403 29.816 29.762 -0.582 0.000 1.474 485 H HN 0.028 nan 8.280 nan 0.000 0.484 486 L N 4.342 125.546 121.223 -0.032 0.000 2.543 486 L HA -0.005 4.335 4.340 -0.000 0.000 0.285 486 L C -1.657 175.194 176.870 -0.032 0.000 1.236 486 L CA -1.116 53.721 54.840 -0.005 0.000 0.871 486 L CB 0.104 42.191 42.059 0.047 0.000 1.121 486 L HN 0.043 nan 8.230 nan 0.000 0.501 487 P HA 0.134 nan 4.420 nan 0.000 0.274 487 P C -0.750 176.500 177.300 -0.083 0.000 1.246 487 P CA -0.636 62.429 63.100 -0.058 0.000 0.795 487 P CB 0.855 32.520 31.700 -0.059 0.000 1.006 488 S N -0.357 115.274 115.700 -0.115 0.000 2.634 488 S HA 0.118 4.588 4.470 -0.000 0.000 0.261 488 S C 1.551 176.017 174.600 -0.224 0.000 1.271 488 S CA -0.684 57.421 58.200 -0.158 0.000 0.985 488 S CB -0.242 62.857 63.200 -0.169 0.000 0.968 488 S HN 0.222 nan 8.310 nan 0.000 0.568 489 V N 2.446 122.180 119.914 -0.299 0.000 2.252 489 V HA -0.112 4.008 4.120 -0.000 0.000 0.249 489 V C -0.382 175.343 176.094 -0.615 0.000 1.056 489 V CA 2.146 64.199 62.300 -0.412 0.000 1.022 489 V CB -1.859 29.728 31.823 -0.393 0.000 0.641 489 V HN 0.829 nan 8.190 nan 0.000 0.445 490 P HA -0.082 nan 4.420 nan 0.000 0.223 490 P C 1.646 178.743 177.300 -0.338 0.000 1.151 490 P CA 1.836 64.498 63.100 -0.731 0.000 0.787 490 P CB -0.238 31.056 31.700 -0.677 0.000 0.788 491 G N 0.534 109.177 108.800 -0.262 0.000 2.403 491 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 491 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 491 G C 1.451 176.271 174.900 -0.133 0.000 1.154 491 G CA 0.342 45.351 45.100 -0.153 0.000 0.784 491 G HN 0.267 nan 8.290 nan 0.000 0.538 492 L N 0.158 121.286 121.223 -0.158 0.000 2.179 492 L HA 0.303 4.643 4.340 -0.000 0.000 0.208 492 L C 2.559 179.362 176.870 -0.113 0.000 1.096 492 L CA 0.910 55.681 54.840 -0.114 0.000 0.779 492 L CB -0.153 41.843 42.059 -0.105 0.000 0.922 492 L HN 0.151 nan 8.230 nan 0.000 0.443 493 L N -0.810 120.314 121.223 -0.165 0.000 2.005 493 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 493 L C 2.737 179.556 176.870 -0.085 0.000 1.072 493 L CA 1.256 56.019 54.840 -0.129 0.000 0.744 493 L CB -0.615 41.337 42.059 -0.177 0.000 0.895 493 L HN 0.178 nan 8.230 nan 0.000 0.433 494 R N -0.309 120.136 120.500 -0.092 0.000 2.139 494 R HA -0.203 4.137 4.340 -0.000 0.000 0.243 494 R C 2.155 178.429 176.300 -0.042 0.000 1.145 494 R CA 1.272 57.339 56.100 -0.056 0.000 0.976 494 R CB -0.366 29.902 30.300 -0.054 0.000 0.866 494 R HN 0.220 nan 8.270 nan 0.000 0.449 495 L N 0.466 121.660 121.223 -0.049 0.000 2.131 495 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 495 L C 1.195 178.049 176.870 -0.027 0.000 1.087 495 L CA 1.088 55.907 54.840 -0.034 0.000 0.767 495 L CB -0.034 42.004 42.059 -0.036 0.000 0.917 495 L HN 0.013 nan 8.230 nan 0.000 0.441 496 I N 0.000 120.551 120.570 -0.032 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 496 I CB 0.000 37.985 38.000 -0.025 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494