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 3ab2_1_E DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGSQAG DATA SEQUENCE VLTXXXXXXX XXXXVTPGRV REALDEGKIC IVAGFQXXXX XXXXXXXXXR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVS DATA SEQUENCE SVEDGTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.590 177.584 0.011 0.000 1.274 2 A CA 0.000 52.044 52.037 0.011 0.000 0.836 2 A CB 0.000 19.008 19.000 0.013 0.000 0.831 3 L N 1.303 122.531 121.223 0.009 0.000 2.342 3 L HA 0.684 5.024 4.340 -0.001 0.000 0.276 3 L C -1.594 175.283 176.870 0.011 0.000 0.997 3 L CA -0.766 54.078 54.840 0.006 0.000 0.838 3 L CB 1.361 43.417 42.059 -0.005 0.000 1.224 3 L HN 0.551 nan 8.230 nan 0.000 0.416 4 V N 5.670 125.596 119.914 0.020 0.000 2.350 4 V HA 0.337 4.457 4.120 -0.001 0.000 0.285 4 V C 0.113 176.228 176.094 0.035 0.000 1.014 4 V CA -0.652 61.667 62.300 0.031 0.000 0.831 4 V CB 1.758 33.611 31.823 0.050 0.000 1.000 4 V HN 0.438 nan 8.190 nan 0.000 0.433 5 V N 5.405 125.333 119.914 0.023 0.000 2.546 5 V HA 0.384 4.504 4.120 -0.001 0.000 0.284 5 V C 0.030 176.150 176.094 0.043 0.000 1.050 5 V CA -0.306 62.008 62.300 0.024 0.000 0.981 5 V CB 1.299 33.121 31.823 -0.002 0.000 0.990 5 V HN 0.916 nan 8.190 nan 0.000 0.474 6 Q N 3.679 123.522 119.800 0.071 0.000 2.292 6 Q HA 0.418 4.758 4.340 -0.001 0.000 0.270 6 Q C -0.820 175.205 176.000 0.041 0.000 1.024 6 Q CA -0.721 55.129 55.803 0.078 0.000 0.768 6 Q CB 2.762 31.612 28.738 0.186 0.000 1.250 6 Q HN 0.512 nan 8.270 nan 0.000 0.447 7 K N 2.979 123.352 120.400 -0.046 0.000 2.235 7 K HA 0.350 4.669 4.320 -0.001 0.000 0.266 7 K C -1.645 174.882 176.600 -0.120 0.000 0.980 7 K CA -0.408 55.874 56.287 -0.009 0.000 0.849 7 K CB 0.751 33.257 32.500 0.009 0.000 1.098 7 K HN 0.563 nan 8.250 nan 0.000 0.445 8 Y N 1.008 121.383 120.300 0.125 0.000 2.328 8 Y HA 0.337 4.886 4.550 -0.001 0.000 0.336 8 Y C 0.985 176.936 175.900 0.084 0.000 0.960 8 Y CA -0.526 57.637 58.100 0.106 0.000 1.134 8 Y CB 1.955 40.431 38.460 0.026 0.000 1.166 8 Y HN 0.750 nan 8.280 nan 0.000 0.464 9 G N 0.854 109.780 108.800 0.211 0.000 2.553 9 G HA2 0.329 4.289 3.960 -0.001 0.000 0.278 9 G HA3 0.329 4.289 3.960 -0.001 0.000 0.278 9 G C 1.088 176.075 174.900 0.145 0.000 1.349 9 G CA -0.178 45.014 45.100 0.154 0.000 1.037 9 G HN 0.836 nan 8.290 nan 0.000 0.508 10 G N -0.580 108.288 108.800 0.114 0.000 2.402 10 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 10 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 10 G C 2.169 177.130 174.900 0.101 0.000 1.162 10 G CA 1.846 47.002 45.100 0.094 0.000 0.777 10 G HN 0.925 nan 8.290 nan 0.000 0.539 11 S N 0.734 116.507 115.700 0.122 0.000 2.382 11 S HA -0.091 4.378 4.470 -0.001 0.000 0.228 11 S C 2.357 177.070 174.600 0.188 0.000 1.027 11 S CA 1.733 60.024 58.200 0.151 0.000 0.991 11 S CB -0.442 62.859 63.200 0.169 0.000 0.823 11 S HN 0.191 nan 8.310 nan 0.000 0.469 12 S N 1.553 117.353 115.700 0.165 0.000 2.447 12 S HA 0.233 4.702 4.470 -0.001 0.000 0.233 12 S C 1.075 175.684 174.600 0.015 0.000 1.006 12 S CA 0.779 59.029 58.200 0.083 0.000 0.957 12 S CB -0.341 62.959 63.200 0.166 0.000 0.773 12 S HN 0.524 nan 8.310 nan 0.000 0.507 13 L N 1.336 122.587 121.223 0.046 0.000 3.218 13 L HA 0.276 4.615 4.340 -0.001 0.000 0.279 13 L C 1.338 178.224 176.870 0.026 0.000 1.287 13 L CA -0.070 54.774 54.840 0.006 0.000 1.024 13 L CB -0.030 42.032 42.059 0.005 0.000 1.409 13 L HN 0.306 nan 8.230 nan 0.000 0.580 14 E N -0.067 120.164 120.200 0.051 0.000 2.502 14 E HA 0.041 4.390 4.350 -0.001 0.000 0.194 14 E C 0.628 177.250 176.600 0.037 0.000 1.062 14 E CA 0.229 56.659 56.400 0.050 0.000 0.867 14 E CB 0.394 30.135 29.700 0.068 0.000 0.888 14 E HN 0.366 nan 8.360 nan 0.000 0.510 15 S N -1.590 114.127 115.700 0.028 0.000 2.656 15 S HA 0.638 5.107 4.470 -0.001 0.000 0.273 15 S C 0.731 175.331 174.600 0.001 0.000 1.168 15 S CA -0.472 57.739 58.200 0.017 0.000 0.817 15 S CB 1.094 64.311 63.200 0.027 0.000 1.146 15 S HN 0.046 nan 8.310 nan 0.000 0.475 16 A N 0.592 123.410 122.820 -0.002 0.000 1.898 16 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 16 A C 1.942 179.515 177.584 -0.019 0.000 1.181 16 A CA 1.775 53.804 52.037 -0.013 0.000 0.620 16 A CB -1.190 17.805 19.000 -0.010 0.000 0.819 16 A HN 0.952 nan 8.150 nan 0.000 0.442 17 E N -0.292 119.904 120.200 -0.007 0.000 2.110 17 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 17 E C 2.224 178.813 176.600 -0.018 0.000 0.988 17 E CA 1.021 57.418 56.400 -0.006 0.000 0.804 17 E CB -0.052 29.656 29.700 0.012 0.000 0.745 17 E HN 0.607 nan 8.360 nan 0.000 0.458 18 R N -0.090 120.400 120.500 -0.015 0.000 2.093 18 R HA 0.006 4.345 4.340 -0.001 0.000 0.224 18 R C 2.484 178.719 176.300 -0.108 0.000 1.101 18 R CA 0.905 56.977 56.100 -0.047 0.000 0.979 18 R CB -0.151 30.145 30.300 -0.005 0.000 0.877 18 R HN 0.252 nan 8.270 nan 0.000 0.441 19 I N 0.643 121.159 120.570 -0.090 0.000 2.226 19 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 19 I C 2.499 178.536 176.117 -0.134 0.000 1.100 19 I CA 1.382 62.608 61.300 -0.124 0.000 1.374 19 I CB -0.194 37.756 38.000 -0.083 0.000 1.057 19 I HN 0.127 nan 8.210 nan 0.000 0.413 20 R N 0.357 120.801 120.500 -0.092 0.000 2.075 20 R HA -0.159 4.180 4.340 -0.001 0.000 0.232 20 R C 2.232 178.473 176.300 -0.098 0.000 1.126 20 R CA 1.338 57.389 56.100 -0.083 0.000 0.963 20 R CB -0.527 29.741 30.300 -0.052 0.000 0.858 20 R HN 0.439 nan 8.270 nan 0.000 0.435 21 N N 0.831 119.471 118.700 -0.100 0.000 2.084 21 N HA -0.136 4.604 4.740 -0.001 0.000 0.190 21 N C 1.719 177.127 175.510 -0.170 0.000 1.030 21 N CA 1.362 54.347 53.050 -0.108 0.000 0.849 21 N CB 0.096 38.529 38.487 -0.090 0.000 1.012 21 N HN -0.005 nan 8.380 nan 0.000 0.423 22 V N 1.736 121.499 119.914 -0.251 0.000 2.427 22 V HA -0.160 3.960 4.120 -0.001 0.000 0.248 22 V C 2.629 178.504 176.094 -0.363 0.000 1.051 22 V CA 1.617 63.670 62.300 -0.411 0.000 1.048 22 V CB -0.981 30.459 31.823 -0.639 0.000 0.666 22 V HN 0.390 nan 8.190 nan 0.000 0.456 23 A N -0.328 122.339 122.820 -0.255 0.000 1.883 23 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 23 A C 2.344 179.852 177.584 -0.127 0.000 1.186 23 A CA 2.035 53.966 52.037 -0.178 0.000 0.624 23 A CB -0.516 18.410 19.000 -0.124 0.000 0.822 23 A HN 0.511 nan 8.150 nan 0.000 0.444 24 E N 0.048 120.182 120.200 -0.109 0.000 2.077 24 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 24 E C 2.239 178.798 176.600 -0.067 0.000 0.989 24 E CA 1.422 57.779 56.400 -0.072 0.000 0.800 24 E CB -0.258 29.409 29.700 -0.056 0.000 0.746 24 E HN 0.647 nan 8.360 nan 0.000 0.452 25 R N 0.299 120.740 120.500 -0.098 0.000 2.081 25 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 25 R C 2.637 178.908 176.300 -0.047 0.000 1.131 25 R CA 1.474 57.528 56.100 -0.077 0.000 0.960 25 R CB -0.320 29.902 30.300 -0.129 0.000 0.856 25 R HN 0.171 nan 8.270 nan 0.000 0.436 26 I N 0.235 120.757 120.570 -0.079 0.000 2.163 26 I HA -0.281 3.888 4.170 -0.001 0.000 0.243 26 I C 2.137 178.250 176.117 -0.007 0.000 1.085 26 I CA 1.257 62.542 61.300 -0.024 0.000 1.347 26 I CB -0.168 37.794 38.000 -0.063 0.000 1.044 26 I HN 0.075 nan 8.210 nan 0.000 0.408 27 V N 0.794 120.693 119.914 -0.026 0.000 2.548 27 V HA -0.184 3.936 4.120 -0.001 0.000 0.249 27 V C 2.648 178.740 176.094 -0.003 0.000 1.055 27 V CA 1.629 63.922 62.300 -0.013 0.000 1.065 27 V CB -0.910 30.900 31.823 -0.021 0.000 0.681 27 V HN 0.466 nan 8.190 nan 0.000 0.462 28 A N 0.102 122.919 122.820 -0.006 0.000 1.933 28 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 28 A C 2.406 180.002 177.584 0.018 0.000 1.175 28 A CA 2.469 54.509 52.037 0.005 0.000 0.628 28 A CB -0.941 18.061 19.000 0.004 0.000 0.814 28 A HN 0.487 nan 8.150 nan 0.000 0.444 29 T N -0.337 114.233 114.554 0.027 0.000 2.684 29 T HA -0.167 4.183 4.350 -0.001 0.000 0.267 29 T C 2.000 176.720 174.700 0.034 0.000 1.036 29 T CA 1.679 63.805 62.100 0.043 0.000 1.148 29 T CB -0.191 68.717 68.868 0.066 0.000 0.863 29 T HN 0.568 nan 8.240 nan 0.000 0.436 30 K N 1.010 121.427 120.400 0.028 0.000 2.057 30 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 30 K C 2.210 178.821 176.600 0.018 0.000 1.049 30 K CA 1.280 57.580 56.287 0.023 0.000 0.931 30 K CB -0.068 32.444 32.500 0.019 0.000 0.714 30 K HN 0.231 nan 8.250 nan 0.000 0.440 31 K N -0.163 120.245 120.400 0.015 0.000 2.280 31 K HA -0.095 4.225 4.320 -0.001 0.000 0.202 31 K C 1.740 178.349 176.600 0.014 0.000 1.047 31 K CA 0.962 57.257 56.287 0.012 0.000 0.942 31 K CB -0.032 32.473 32.500 0.009 0.000 0.739 31 K HN 0.176 nan 8.250 nan 0.000 0.457 32 A N 0.769 123.600 122.820 0.018 0.000 2.239 32 A HA 0.108 4.428 4.320 -0.001 0.000 0.209 32 A C 1.018 178.613 177.584 0.017 0.000 1.171 32 A CA 0.868 52.916 52.037 0.019 0.000 0.768 32 A CB -0.337 18.678 19.000 0.025 0.000 0.790 32 A HN 0.380 nan 8.150 nan 0.000 0.478 33 G N -0.104 108.706 108.800 0.017 0.000 2.600 33 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.251 33 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.251 33 G C -0.610 174.300 174.900 0.016 0.000 1.142 33 G CA 0.069 45.177 45.100 0.014 0.000 0.994 33 G HN 1.326 nan 8.290 nan 0.000 0.511 34 N N -0.996 117.715 118.700 0.018 0.000 2.823 34 N HA 0.557 5.297 4.740 -0.001 0.000 0.251 34 N C -1.627 173.895 175.510 0.020 0.000 1.392 34 N CA -1.164 51.898 53.050 0.019 0.000 0.864 34 N CB 0.984 39.485 38.487 0.023 0.000 1.481 34 N HN -0.074 nan 8.380 nan 0.000 0.508 35 D N 0.248 120.658 120.400 0.017 0.000 2.277 35 D HA 0.320 4.960 4.640 -0.001 0.000 0.249 35 D C -0.475 175.839 176.300 0.023 0.000 1.134 35 D CA -0.115 53.895 54.000 0.017 0.000 0.863 35 D CB 1.522 42.327 40.800 0.008 0.000 1.143 35 D HN 0.298 nan 8.370 nan 0.000 0.458 36 V N 2.708 122.641 119.914 0.032 0.000 2.384 36 V HA 0.268 4.388 4.120 -0.001 0.000 0.287 36 V C 0.266 176.387 176.094 0.045 0.000 1.020 36 V CA -0.820 61.507 62.300 0.046 0.000 0.850 36 V CB 1.880 33.737 31.823 0.056 0.000 0.987 36 V HN 0.241 nan 8.190 nan 0.000 0.436 37 V N 5.803 125.742 119.914 0.041 0.000 2.384 37 V HA 0.477 4.597 4.120 -0.001 0.000 0.287 37 V C -0.174 175.962 176.094 0.071 0.000 1.020 37 V CA -0.533 61.786 62.300 0.033 0.000 0.850 37 V CB 1.906 33.718 31.823 -0.018 0.000 0.987 37 V HN 0.617 nan 8.190 nan 0.000 0.436 38 V N 5.866 125.837 119.914 0.096 0.000 2.384 38 V HA 0.479 4.598 4.120 -0.001 0.000 0.287 38 V C -0.202 175.974 176.094 0.137 0.000 1.020 38 V CA -0.575 61.816 62.300 0.152 0.000 0.850 38 V CB 1.945 33.861 31.823 0.155 0.000 0.987 38 V HN 0.606 nan 8.190 nan 0.000 0.436 39 V N 3.992 123.996 119.914 0.149 0.000 2.398 39 V HA 0.450 4.569 4.120 -0.001 0.000 0.286 39 V C -0.152 176.048 176.094 0.177 0.000 1.026 39 V CA -0.381 61.995 62.300 0.127 0.000 0.868 39 V CB 1.564 33.433 31.823 0.077 0.000 0.982 39 V HN 0.985 nan 8.190 nan 0.000 0.443 40 C N 3.393 122.788 119.300 0.159 0.000 2.417 40 C HA 0.686 5.145 4.460 -0.001 0.000 0.324 40 C C 0.876 175.950 174.990 0.140 0.000 1.240 40 C CA -0.547 58.566 59.018 0.159 0.000 1.632 40 C CB 1.330 29.139 27.740 0.115 0.000 2.241 40 C HN 0.901 nan 8.230 nan 0.000 0.499 41 S N 1.046 116.827 115.700 0.134 0.000 2.686 41 S HA 0.682 5.151 4.470 -0.001 0.000 0.270 41 S C 0.450 175.103 174.600 0.088 0.000 1.194 41 S CA -0.432 57.835 58.200 0.112 0.000 0.990 41 S CB 0.708 63.972 63.200 0.107 0.000 1.029 41 S HN 1.020 nan 8.310 nan 0.000 0.560 42 A N 0.913 123.774 122.820 0.070 0.000 2.346 42 A HA 0.446 4.766 4.320 -0.001 0.000 0.252 42 A C 0.226 177.839 177.584 0.048 0.000 1.089 42 A CA -0.316 51.750 52.037 0.048 0.000 0.797 42 A CB -0.242 18.777 19.000 0.032 0.000 1.047 42 A HN 0.771 nan 8.150 nan 0.000 0.494 43 M N 1.770 121.392 119.600 0.035 0.000 2.238 43 M HA 0.299 4.779 4.480 -0.001 0.000 0.350 43 M C 1.514 177.838 176.300 0.040 0.000 1.321 43 M CA 1.275 56.596 55.300 0.035 0.000 1.097 43 M CB -0.245 32.368 32.600 0.023 0.000 1.713 43 M HN 1.252 nan 8.290 nan 0.000 0.455 44 G N 3.076 111.906 108.800 0.050 0.000 2.684 44 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.332 44 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.332 44 G C 0.348 175.276 174.900 0.047 0.000 1.306 44 G CA 0.602 45.733 45.100 0.051 0.000 1.002 44 G HN 0.800 nan 8.290 nan 0.000 0.545 45 D N 0.831 121.254 120.400 0.038 0.000 2.325 45 D HA 0.159 4.799 4.640 -0.001 0.000 0.225 45 D C 2.342 178.659 176.300 0.028 0.000 1.096 45 D CA 0.932 54.953 54.000 0.034 0.000 0.844 45 D CB -0.256 40.561 40.800 0.029 0.000 0.925 45 D HN 0.369 nan 8.370 nan 0.000 0.513 46 T N 0.132 114.702 114.554 0.026 0.000 2.721 46 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 46 T C 2.002 176.712 174.700 0.016 0.000 1.038 46 T CA 1.462 63.573 62.100 0.019 0.000 1.145 46 T CB -0.111 68.767 68.868 0.016 0.000 0.858 46 T HN 0.191 nan 8.240 nan 0.000 0.459 47 T N 1.701 116.268 114.554 0.023 0.000 2.737 47 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 47 T C 1.732 176.445 174.700 0.021 0.000 1.038 47 T CA 1.151 63.263 62.100 0.021 0.000 1.144 47 T CB -0.399 68.488 68.868 0.031 0.000 0.866 47 T HN 0.343 nan 8.240 nan 0.000 0.434 48 D N 1.161 121.576 120.400 0.025 0.000 2.178 48 D HA -0.068 4.572 4.640 -0.001 0.000 0.201 48 D C 2.184 178.495 176.300 0.018 0.000 0.980 48 D CA 0.929 54.943 54.000 0.023 0.000 0.842 48 D CB -0.181 40.635 40.800 0.027 0.000 0.948 48 D HN 0.539 nan 8.370 nan 0.000 0.472 49 E N 0.141 120.351 120.200 0.016 0.000 2.072 49 E HA -0.066 4.283 4.350 -0.001 0.000 0.191 49 E C 2.316 178.921 176.600 0.008 0.000 0.985 49 E CA 0.381 56.788 56.400 0.012 0.000 0.801 49 E CB -0.022 29.685 29.700 0.012 0.000 0.750 49 E HN 0.255 nan 8.360 nan 0.000 0.452 50 L N 0.680 121.906 121.223 0.006 0.000 2.141 50 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 50 L C 2.328 179.199 176.870 0.002 0.000 1.094 50 L CA 0.546 55.386 54.840 0.001 0.000 0.763 50 L CB -0.202 41.853 42.059 -0.006 0.000 0.908 50 L HN 0.166 nan 8.230 nan 0.000 0.437 51 L N -0.798 120.430 121.223 0.007 0.000 2.056 51 L HA -0.180 4.160 4.340 -0.001 0.000 0.207 51 L C 2.693 179.569 176.870 0.010 0.000 1.078 51 L CA 1.087 55.933 54.840 0.010 0.000 0.749 51 L CB -0.531 41.538 42.059 0.015 0.000 0.901 51 L HN 0.238 nan 8.230 nan 0.000 0.433 52 E N 0.118 120.325 120.200 0.011 0.000 2.058 52 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 52 E C 2.304 178.908 176.600 0.007 0.000 0.997 52 E CA 1.135 57.541 56.400 0.010 0.000 0.801 52 E CB -0.172 29.534 29.700 0.011 0.000 0.746 52 E HN 0.351 nan 8.360 nan 0.000 0.450 53 L N 0.474 121.700 121.223 0.005 0.000 2.017 53 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 53 L C 2.527 179.399 176.870 0.002 0.000 1.073 53 L CA 1.566 56.408 54.840 0.003 0.000 0.745 53 L CB -1.516 40.543 42.059 0.001 0.000 0.894 53 L HN 0.044 nan 8.230 nan 0.000 0.432 54 A N 0.010 122.832 122.820 0.002 0.000 1.865 54 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 54 A C 2.482 180.068 177.584 0.004 0.000 1.191 54 A CA 2.047 54.085 52.037 0.002 0.000 0.623 54 A CB -0.738 18.263 19.000 0.001 0.000 0.826 54 A HN 0.418 nan 8.150 nan 0.000 0.444 55 A N -0.634 122.189 122.820 0.006 0.000 2.019 55 A HA 0.194 4.514 4.320 -0.001 0.000 0.219 55 A C 2.366 179.954 177.584 0.007 0.000 1.164 55 A CA 2.012 54.054 52.037 0.008 0.000 0.644 55 A CB -0.714 18.292 19.000 0.010 0.000 0.805 55 A HN 1.014 nan 8.150 nan 0.000 0.449 56 A N -0.249 122.575 122.820 0.006 0.000 1.903 56 A HA 0.128 4.447 4.320 -0.001 0.000 0.213 56 A C 2.191 179.778 177.584 0.004 0.000 1.185 56 A CA 1.500 53.540 52.037 0.005 0.000 0.628 56 A CB -0.938 18.065 19.000 0.005 0.000 0.830 56 A HN 1.009 nan 8.150 nan 0.000 0.446 57 V N -2.292 117.624 119.914 0.003 0.000 2.809 57 V HA 0.084 4.204 4.120 -0.001 0.000 0.256 57 V C 0.570 176.665 176.094 0.003 0.000 1.080 57 V CA 1.424 63.725 62.300 0.002 0.000 1.102 57 V CB -1.149 30.674 31.823 0.001 0.000 0.705 57 V HN 0.585 nan 8.190 nan 0.000 0.475 58 N N 0.545 119.248 118.700 0.003 0.000 2.648 58 N HA 0.368 5.107 4.740 -0.001 0.000 0.272 58 N C -3.316 172.197 175.510 0.006 0.000 1.118 58 N CA -1.066 51.986 53.050 0.004 0.000 0.973 58 N CB 2.435 40.925 38.487 0.003 0.000 1.565 58 N HN 0.056 nan 8.380 nan 0.000 0.542 59 P HA 0.142 nan 4.420 nan 0.000 0.282 59 P C -0.368 176.937 177.300 0.008 0.000 1.262 59 P CA 0.239 63.344 63.100 0.008 0.000 0.773 59 P CB 1.152 32.857 31.700 0.008 0.000 0.879 60 V N 2.960 122.879 119.914 0.009 0.000 6.244 60 V HA -0.151 3.968 4.120 -0.001 0.000 0.295 60 V C -1.981 174.119 176.094 0.009 0.000 0.550 60 V CA -0.279 62.027 62.300 0.010 0.000 0.756 60 V CB -2.159 29.670 31.823 0.010 0.000 0.665 60 V HN 0.657 nan 8.190 nan 0.000 0.592 61 P HA 0.442 nan 4.420 nan 0.000 0.276 61 P C -2.174 175.130 177.300 0.007 0.000 1.230 61 P CA -1.154 61.950 63.100 0.006 0.000 0.776 61 P CB 0.511 32.214 31.700 0.005 0.000 0.888 62 P HA 0.054 nan 4.420 nan 0.000 0.267 62 P C 0.876 178.181 177.300 0.008 0.000 1.200 62 P CA -0.016 63.089 63.100 0.008 0.000 0.772 62 P CB 0.328 32.032 31.700 0.006 0.000 0.855 63 A N 3.040 125.867 122.820 0.012 0.000 1.933 63 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 63 A C 2.411 180.003 177.584 0.013 0.000 1.175 63 A CA 2.181 54.228 52.037 0.016 0.000 0.628 63 A CB -1.382 17.631 19.000 0.022 0.000 0.814 63 A HN 0.539 nan 8.150 nan 0.000 0.444 64 R N 0.409 120.916 120.500 0.012 0.000 2.097 64 R HA -0.210 4.130 4.340 -0.001 0.000 0.236 64 R C 1.815 178.115 176.300 -0.001 0.000 1.135 64 R CA 2.159 58.265 56.100 0.009 0.000 0.934 64 R CB -1.478 28.827 30.300 0.009 0.000 0.846 64 R HN 0.712 nan 8.270 nan 0.000 0.431 65 E N 0.066 120.264 120.200 -0.003 0.000 2.152 65 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 65 E C 2.005 178.595 176.600 -0.018 0.000 0.983 65 E CA 1.309 57.703 56.400 -0.011 0.000 0.818 65 E CB -0.448 29.248 29.700 -0.007 0.000 0.758 65 E HN 0.520 nan 8.360 nan 0.000 0.467 66 M N 1.926 121.519 119.600 -0.011 0.000 2.159 66 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 66 M C 0.978 177.259 176.300 -0.033 0.000 1.063 66 M CA 1.546 56.838 55.300 -0.015 0.000 1.110 66 M CB -0.290 32.309 32.600 -0.001 0.000 1.374 66 M HN -0.161 nan 8.290 nan 0.000 0.411 67 D N -0.464 119.917 120.400 -0.031 0.000 2.084 67 D HA -0.194 4.446 4.640 -0.001 0.000 0.194 67 D C 2.029 178.255 176.300 -0.123 0.000 0.990 67 D CA 1.713 55.673 54.000 -0.067 0.000 0.826 67 D CB -0.282 40.506 40.800 -0.019 0.000 0.971 67 D HN 0.430 nan 8.370 nan 0.000 0.453 68 M N -0.132 119.421 119.600 -0.078 0.000 2.106 68 M HA -0.190 4.289 4.480 -0.001 0.000 0.259 68 M C 1.873 178.119 176.300 -0.090 0.000 1.068 68 M CA 1.171 56.423 55.300 -0.080 0.000 1.100 68 M CB -0.018 32.555 32.600 -0.044 0.000 1.351 68 M HN 0.119 nan 8.290 nan 0.000 0.404 69 L N 0.672 121.852 121.223 -0.071 0.000 1.988 69 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 69 L C 1.992 178.812 176.870 -0.083 0.000 1.071 69 L CA 1.906 56.710 54.840 -0.061 0.000 0.744 69 L CB -0.726 41.310 42.059 -0.039 0.000 0.893 69 L HN 0.342 nan 8.230 nan 0.000 0.433 70 L N -1.508 119.653 121.223 -0.103 0.000 2.240 70 L HA -0.102 4.238 4.340 -0.001 0.000 0.211 70 L C 2.229 178.970 176.870 -0.215 0.000 1.106 70 L CA 1.099 55.870 54.840 -0.115 0.000 0.793 70 L CB -0.893 41.118 42.059 -0.080 0.000 0.927 70 L HN 0.281 nan 8.230 nan 0.000 0.446 71 T N 0.238 114.578 114.554 -0.356 0.000 2.777 71 T HA -0.147 4.202 4.350 -0.001 0.000 0.266 71 T C 2.113 176.664 174.700 -0.249 0.000 1.040 71 T CA 1.295 63.074 62.100 -0.535 0.000 1.141 71 T CB -0.203 68.271 68.868 -0.657 0.000 0.868 71 T HN 0.423 nan 8.240 nan 0.000 0.444 72 A N 1.557 124.281 122.820 -0.160 0.000 1.917 72 A HA 0.027 4.347 4.320 -0.001 0.000 0.219 72 A C 2.639 180.186 177.584 -0.062 0.000 1.182 72 A CA 2.004 53.988 52.037 -0.088 0.000 0.633 72 A CB -1.439 17.522 19.000 -0.065 0.000 0.819 72 A HN 0.522 nan 8.150 nan 0.000 0.448 73 G N -0.786 107.976 108.800 -0.063 0.000 2.422 73 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.218 73 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.218 73 G C 1.447 176.336 174.900 -0.017 0.000 1.146 73 G CA 0.987 46.068 45.100 -0.033 0.000 0.769 73 G HN 0.668 nan 8.290 nan 0.000 0.547 74 E N -0.380 119.803 120.200 -0.029 0.000 2.158 74 E HA 0.031 4.381 4.350 -0.001 0.000 0.191 74 E C 2.534 179.153 176.600 0.032 0.000 0.982 74 E CA 0.090 56.501 56.400 0.019 0.000 0.823 74 E CB 0.023 29.752 29.700 0.047 0.000 0.766 74 E HN 0.243 nan 8.360 nan 0.000 0.468 75 R N 0.588 121.089 120.500 0.002 0.000 2.235 75 R HA -0.012 4.327 4.340 -0.001 0.000 0.213 75 R C 1.981 178.288 176.300 0.011 0.000 1.059 75 R CA 0.466 56.577 56.100 0.018 0.000 0.997 75 R CB 0.015 30.314 30.300 -0.002 0.000 0.884 75 R HN 0.157 nan 8.270 nan 0.000 0.462 76 I N -0.649 119.923 120.570 0.002 0.000 2.202 76 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 76 I C 2.061 178.181 176.117 0.005 0.000 1.091 76 I CA 1.185 62.486 61.300 0.001 0.000 1.368 76 I CB -0.207 37.791 38.000 -0.002 0.000 1.058 76 I HN 0.126 nan 8.210 nan 0.000 0.410 77 S N 0.721 116.430 115.700 0.014 0.000 2.353 77 S HA -0.224 4.246 4.470 -0.001 0.000 0.222 77 S C 1.725 176.333 174.600 0.013 0.000 1.035 77 S CA 1.795 60.004 58.200 0.015 0.000 1.025 77 S CB -0.480 62.739 63.200 0.032 0.000 0.902 77 S HN 0.387 nan 8.310 nan 0.000 0.440 78 N N 1.615 120.335 118.700 0.033 0.000 2.058 78 N HA -0.195 4.544 4.740 -0.001 0.000 0.200 78 N C 1.754 177.271 175.510 0.011 0.000 1.033 78 N CA 1.896 54.968 53.050 0.036 0.000 0.880 78 N CB -0.699 37.821 38.487 0.055 0.000 1.069 78 N HN 0.418 nan 8.380 nan 0.000 0.461 79 A N -0.148 122.675 122.820 0.005 0.000 1.883 79 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 79 A C 2.102 179.678 177.584 -0.014 0.000 1.186 79 A CA 1.218 53.251 52.037 -0.006 0.000 0.624 79 A CB -0.732 18.264 19.000 -0.007 0.000 0.822 79 A HN 0.206 nan 8.150 nan 0.000 0.444 80 L N -0.573 120.641 121.223 -0.015 0.000 2.017 80 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 80 L C 2.632 179.480 176.870 -0.036 0.000 1.073 80 L CA 1.364 56.190 54.840 -0.023 0.000 0.745 80 L CB -1.006 41.040 42.059 -0.022 0.000 0.894 80 L HN 0.199 nan 8.230 nan 0.000 0.432 81 V N -0.316 119.574 119.914 -0.041 0.000 2.295 81 V HA -0.311 3.809 4.120 -0.001 0.000 0.246 81 V C 2.713 178.778 176.094 -0.048 0.000 1.049 81 V CA 1.614 63.876 62.300 -0.063 0.000 1.024 81 V CB -1.095 30.685 31.823 -0.070 0.000 0.648 81 V HN 0.499 nan 8.190 nan 0.000 0.447 82 A N -0.520 122.284 122.820 -0.026 0.000 1.873 82 A HA -0.327 3.992 4.320 -0.001 0.000 0.218 82 A C 2.247 179.816 177.584 -0.025 0.000 1.193 82 A CA 2.648 54.673 52.037 -0.020 0.000 0.629 82 A CB -0.595 18.397 19.000 -0.014 0.000 0.826 82 A HN 0.502 nan 8.150 nan 0.000 0.447 83 M N -0.709 118.875 119.600 -0.026 0.000 2.106 83 M HA -0.235 4.245 4.480 -0.001 0.000 0.259 83 M C 2.526 178.808 176.300 -0.030 0.000 1.068 83 M CA 1.697 56.981 55.300 -0.026 0.000 1.100 83 M CB -0.468 32.118 32.600 -0.024 0.000 1.351 83 M HN 0.526 nan 8.290 nan 0.000 0.404 84 A N 0.514 123.311 122.820 -0.039 0.000 1.873 84 A HA -0.133 4.187 4.320 -0.001 0.000 0.215 84 A C 1.977 179.534 177.584 -0.046 0.000 1.186 84 A CA 1.279 53.288 52.037 -0.047 0.000 0.616 84 A CB -0.686 18.275 19.000 -0.065 0.000 0.823 84 A HN 0.388 nan 8.150 nan 0.000 0.442 85 I N -0.104 120.438 120.570 -0.047 0.000 2.208 85 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 85 I C 2.360 178.461 176.117 -0.026 0.000 1.097 85 I CA 1.880 63.157 61.300 -0.039 0.000 1.363 85 I CB -1.470 36.512 38.000 -0.031 0.000 1.051 85 I HN 0.380 nan 8.210 nan 0.000 0.413 86 E N 0.668 120.855 120.200 -0.023 0.000 2.106 86 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 86 E C 2.394 178.983 176.600 -0.018 0.000 0.984 86 E CA 1.441 57.830 56.400 -0.018 0.000 0.806 86 E CB -0.128 29.561 29.700 -0.018 0.000 0.750 86 E HN 0.363 nan 8.360 nan 0.000 0.458 87 S N -0.386 115.302 115.700 -0.021 0.000 2.400 87 S HA -0.122 4.348 4.470 -0.001 0.000 0.232 87 S C 1.578 176.167 174.600 -0.019 0.000 1.025 87 S CA 0.917 59.105 58.200 -0.020 0.000 0.993 87 S CB -0.169 63.017 63.200 -0.023 0.000 0.808 87 S HN 0.311 nan 8.310 nan 0.000 0.478 88 L N 0.560 121.770 121.223 -0.022 0.000 2.592 88 L HA 0.346 4.685 4.340 -0.001 0.000 0.227 88 L C 1.601 178.462 176.870 -0.014 0.000 1.127 88 L CA 0.322 55.150 54.840 -0.020 0.000 0.884 88 L CB -0.247 41.796 42.059 -0.026 0.000 1.065 88 L HN 0.565 nan 8.230 nan 0.000 0.457 89 G N 0.140 108.933 108.800 -0.013 0.000 2.130 89 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.216 89 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.216 89 G C 0.184 175.081 174.900 -0.006 0.000 0.999 89 G CA 0.010 45.105 45.100 -0.009 0.000 0.686 89 G HN 0.475 nan 8.290 nan 0.000 0.515 90 A N -0.595 122.220 122.820 -0.007 0.000 2.261 90 A HA 0.856 5.175 4.320 -0.001 0.000 0.323 90 A C 0.079 177.662 177.584 -0.002 0.000 1.107 90 A CA -0.472 51.563 52.037 -0.003 0.000 0.883 90 A CB 0.929 19.927 19.000 -0.002 0.000 1.251 90 A HN 0.332 nan 8.150 nan 0.000 0.502 91 E N 0.237 120.439 120.200 0.004 0.000 2.129 91 E HA 0.496 4.846 4.350 -0.001 0.000 0.268 91 E C -0.511 176.095 176.600 0.010 0.000 0.900 91 E CA -0.523 55.879 56.400 0.003 0.000 0.755 91 E CB 1.780 31.484 29.700 0.005 0.000 1.117 91 E HN 0.750 nan 8.360 nan 0.000 0.410 92 A N 3.470 126.292 122.820 0.002 0.000 2.316 92 A HA 0.365 4.685 4.320 -0.001 0.000 0.284 92 A C -0.257 177.325 177.584 -0.004 0.000 1.115 92 A CA -0.332 51.710 52.037 0.009 0.000 0.812 92 A CB 0.936 19.935 19.000 -0.002 0.000 1.064 92 A HN 0.540 nan 8.150 nan 0.000 0.489 93 Q N 1.223 121.031 119.800 0.013 0.000 2.337 93 Q HA 0.461 4.800 4.340 -0.001 0.000 0.260 93 Q C -1.124 174.787 176.000 -0.148 0.000 0.982 93 Q CA -0.043 55.713 55.803 -0.078 0.000 0.734 93 Q CB 1.414 30.160 28.738 0.013 0.000 1.272 93 Q HN 0.667 nan 8.270 nan 0.000 0.461 94 S N 3.352 118.898 115.700 -0.257 0.000 2.584 94 S HA 0.692 5.162 4.470 -0.001 0.000 0.273 94 S C -0.867 173.464 174.600 -0.449 0.000 1.311 94 S CA -0.104 57.994 58.200 -0.170 0.000 1.034 94 S CB 0.372 63.521 63.200 -0.085 0.000 0.939 94 S HN 0.495 nan 8.310 nan 0.000 0.513 95 F N -0.010 119.957 119.950 0.029 0.000 2.601 95 F HA 0.336 4.863 4.527 -0.001 0.000 0.309 95 F C 0.494 176.324 175.800 0.049 0.000 1.089 95 F CA -0.767 57.245 58.000 0.020 0.000 0.940 95 F CB 1.838 40.831 39.000 -0.012 0.000 1.273 95 F HN 0.295 nan 8.300 nan 0.000 0.450 96 T N 1.433 116.132 114.554 0.243 0.000 2.817 96 T HA 0.342 4.692 4.350 -0.001 0.000 0.293 96 T C 0.595 175.236 174.700 -0.099 0.000 0.964 96 T CA -0.412 61.821 62.100 0.222 0.000 1.085 96 T CB 0.944 70.003 68.868 0.319 0.000 0.921 96 T HN 0.854 nan 8.240 nan 0.000 0.502 97 G N 1.841 110.253 108.800 -0.647 0.000 2.726 97 G HA2 0.423 4.383 3.960 -0.001 0.000 0.283 97 G HA3 0.423 4.383 3.960 -0.001 0.000 0.283 97 G C 0.858 175.433 174.900 -0.541 0.000 0.689 97 G CA 0.323 45.002 45.100 -0.702 0.000 2.087 97 G HN 1.089 nan 8.290 nan 0.000 0.546 98 S N 0.800 116.357 115.700 -0.238 0.000 6.227 98 S HA -0.119 4.350 4.470 -0.001 0.000 0.066 98 S C 1.522 176.107 174.600 -0.025 0.000 1.240 98 S CA 0.819 58.953 58.200 -0.109 0.000 1.264 98 S CB -0.909 62.262 63.200 -0.048 0.000 1.321 98 S HN 0.465 nan 8.310 nan 0.000 0.472 99 Q N 1.102 120.920 119.800 0.029 0.000 2.135 99 Q HA 0.194 4.533 4.340 -0.001 0.000 0.204 99 Q C 0.908 176.980 176.000 0.119 0.000 0.981 99 Q CA 1.377 57.237 55.803 0.094 0.000 0.856 99 Q CB -0.181 28.643 28.738 0.144 0.000 0.902 99 Q HN 1.021 nan 8.270 nan 0.000 0.425 100 A N 0.982 123.843 122.820 0.068 0.000 2.316 100 A HA 0.519 4.839 4.320 -0.001 0.000 0.311 100 A C 0.292 177.805 177.584 -0.117 0.000 1.339 100 A CA 0.062 52.048 52.037 -0.085 0.000 0.960 100 A CB 0.292 19.134 19.000 -0.262 0.000 1.152 100 A HN 0.403 nan 8.150 nan 0.000 0.547 101 G N 1.641 110.384 108.800 -0.095 0.000 2.368 101 G HA2 0.379 4.339 3.960 -0.001 0.000 0.233 101 G HA3 0.379 4.339 3.960 -0.001 0.000 0.233 101 G C 0.197 175.021 174.900 -0.126 0.000 1.267 101 G CA 0.561 45.606 45.100 -0.092 0.000 0.873 101 G HN 0.906 nan 8.290 nan 0.000 0.539 102 V N 1.651 121.496 119.914 -0.115 0.000 3.998 102 V HA 0.700 4.820 4.120 -0.001 0.000 0.297 102 V C 2.083 178.117 176.094 -0.100 0.000 1.378 102 V CA 0.007 62.228 62.300 -0.132 0.000 0.949 102 V CB 0.215 31.950 31.823 -0.147 0.000 1.258 102 V HN 0.838 nan 8.190 nan 0.000 0.471 103 L N -1.334 119.836 121.223 -0.089 0.000 2.051 103 L HA 0.618 4.957 4.340 -0.001 0.000 0.202 103 L C 1.557 178.408 176.870 -0.031 0.000 1.097 103 L CA 2.949 57.756 54.840 -0.055 0.000 0.762 103 L CB -1.944 40.090 42.059 -0.042 0.000 0.913 103 L HN 2.032 nan 8.230 nan 0.000 0.447 117 T N 8.293 122.776 114.554 -0.119 0.000 2.853 117 T HA 0.526 4.875 4.350 -0.001 0.000 0.317 117 T C -1.394 173.235 174.700 -0.119 0.000 1.059 117 T CA -0.545 61.494 62.100 -0.102 0.000 0.954 117 T CB 1.722 70.547 68.868 -0.071 0.000 0.994 117 T HN 0.737 nan 8.240 nan 0.000 0.479 118 P HA 0.059 nan 4.420 nan 0.000 0.222 118 P C 1.690 178.908 177.300 -0.136 0.000 1.157 118 P CA 0.611 63.617 63.100 -0.157 0.000 0.816 118 P CB 0.022 31.629 31.700 -0.155 0.000 0.813 119 G N 2.955 111.700 108.800 -0.092 0.000 3.342 119 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.298 119 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.298 119 G C 1.482 176.351 174.900 -0.051 0.000 1.203 119 G CA 2.209 47.273 45.100 -0.060 0.000 1.202 119 G HN 0.543 nan 8.290 nan 0.000 1.145 120 R N 0.545 121.027 120.500 -0.030 0.000 2.313 120 R HA 0.318 4.658 4.340 -0.001 0.000 0.199 120 R C 2.154 178.468 176.300 0.022 0.000 0.958 120 R CA 1.131 57.253 56.100 0.036 0.000 1.047 120 R CB -0.168 30.199 30.300 0.112 0.000 0.955 120 R HN 0.401 nan 8.270 nan 0.000 0.481 121 V N 1.363 121.154 119.914 -0.205 0.000 2.407 121 V HA -0.126 3.994 4.120 -0.001 0.000 0.245 121 V C 2.610 178.611 176.094 -0.154 0.000 1.041 121 V CA 1.843 63.890 62.300 -0.422 0.000 1.040 121 V CB -0.633 30.833 31.823 -0.595 0.000 0.671 121 V HN 0.362 nan 8.190 nan 0.000 0.455 122 R N 0.159 120.594 120.500 -0.109 0.000 2.115 122 R HA -0.160 4.180 4.340 -0.001 0.000 0.230 122 R C 2.225 178.518 176.300 -0.012 0.000 1.111 122 R CA 1.507 57.574 56.100 -0.056 0.000 0.976 122 R CB -0.119 30.147 30.300 -0.056 0.000 0.870 122 R HN 0.624 nan 8.270 nan 0.000 0.445 123 E N -0.056 120.148 120.200 0.006 0.000 2.085 123 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 123 E C 1.916 178.549 176.600 0.055 0.000 0.994 123 E CA 1.295 57.714 56.400 0.031 0.000 0.801 123 E CB -0.110 29.616 29.700 0.044 0.000 0.743 123 E HN 0.458 nan 8.360 nan 0.000 0.453 124 A N 1.113 123.992 122.820 0.098 0.000 1.930 124 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 124 A C 2.192 179.823 177.584 0.078 0.000 1.175 124 A CA 0.880 52.992 52.037 0.126 0.000 0.627 124 A CB -0.512 18.652 19.000 0.273 0.000 0.815 124 A HN 0.109 nan 8.150 nan 0.000 0.443 125 L N -0.444 120.809 121.223 0.050 0.000 2.056 125 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 125 L C 1.986 178.868 176.870 0.021 0.000 1.078 125 L CA 1.375 56.231 54.840 0.028 0.000 0.749 125 L CB -0.673 41.388 42.059 0.003 0.000 0.901 125 L HN 0.276 nan 8.230 nan 0.000 0.433 126 D N 0.182 120.592 120.400 0.017 0.000 2.178 126 D HA -0.180 4.459 4.640 -0.001 0.000 0.201 126 D C 1.955 178.265 176.300 0.016 0.000 0.980 126 D CA 1.096 55.104 54.000 0.013 0.000 0.842 126 D CB -0.091 40.715 40.800 0.009 0.000 0.948 126 D HN 0.409 nan 8.370 nan 0.000 0.472 127 E N -0.397 119.817 120.200 0.024 0.000 2.478 127 E HA 0.119 4.468 4.350 -0.001 0.000 0.198 127 E C 1.006 177.619 176.600 0.021 0.000 1.046 127 E CA 0.452 56.865 56.400 0.022 0.000 0.870 127 E CB 0.140 29.857 29.700 0.027 0.000 0.818 127 E HN 0.291 nan 8.360 nan 0.000 0.527 128 G N 1.870 110.685 108.800 0.024 0.000 2.142 128 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.225 128 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.225 128 G C -0.201 174.715 174.900 0.027 0.000 1.015 128 G CA -0.129 44.984 45.100 0.022 0.000 0.716 128 G HN 0.098 nan 8.290 nan 0.000 0.508 129 K N -0.094 120.329 120.400 0.039 0.000 2.182 129 K HA 0.577 4.897 4.320 -0.001 0.000 0.262 129 K C 0.568 177.204 176.600 0.060 0.000 0.957 129 K CA -0.943 55.371 56.287 0.046 0.000 0.842 129 K CB 1.726 34.258 32.500 0.053 0.000 1.099 129 K HN 0.207 nan 8.250 nan 0.000 0.438 130 I N 3.307 123.908 120.570 0.053 0.000 2.421 130 I HA -0.002 4.167 4.170 -0.001 0.000 0.291 130 I C -0.008 176.167 176.117 0.097 0.000 1.089 130 I CA -0.413 60.924 61.300 0.060 0.000 1.354 130 I CB 0.187 38.211 38.000 0.040 0.000 1.413 130 I HN 0.510 nan 8.210 nan 0.000 0.513 131 C N 7.647 127.022 119.300 0.126 0.000 2.514 131 C HA 0.395 4.855 4.460 -0.001 0.000 0.392 131 C C 0.408 175.512 174.990 0.189 0.000 1.294 131 C CA -0.662 58.493 59.018 0.228 0.000 1.957 131 C CB -0.342 27.505 27.740 0.178 0.000 2.541 131 C HN 0.431 nan 8.230 nan 0.000 0.569 132 I N 4.533 125.248 120.570 0.243 0.000 2.330 132 I HA 0.428 4.598 4.170 -0.001 0.000 0.289 132 I C 0.055 176.322 176.117 0.250 0.000 1.001 132 I CA -0.179 61.230 61.300 0.182 0.000 1.193 132 I CB 0.859 38.927 38.000 0.114 0.000 1.345 132 I HN 0.322 nan 8.210 nan 0.000 0.461 133 V N 4.944 124.962 119.914 0.173 0.000 2.715 133 V HA 0.775 4.894 4.120 -0.001 0.000 0.310 133 V C 0.357 176.531 176.094 0.134 0.000 1.054 133 V CA -0.778 61.611 62.300 0.148 0.000 0.928 133 V CB 2.048 33.884 31.823 0.021 0.000 1.007 133 V HN 0.862 nan 8.190 nan 0.000 0.437 134 A N 2.159 125.077 122.820 0.164 0.000 2.312 134 A HA 0.753 5.072 4.320 -0.001 0.000 0.326 134 A C 0.429 178.115 177.584 0.170 0.000 1.172 134 A CA -0.133 52.067 52.037 0.272 0.000 0.821 134 A CB 1.054 20.379 19.000 0.541 0.000 1.166 134 A HN 1.141 nan 8.150 nan 0.000 0.493 135 G N 1.444 110.389 108.800 0.242 0.000 2.448 135 G HA2 0.571 4.531 3.960 -0.001 0.000 0.309 135 G HA3 0.571 4.531 3.960 -0.001 0.000 0.309 135 G C -0.422 174.656 174.900 0.297 0.000 1.027 135 G CA 0.011 45.195 45.100 0.139 0.000 1.104 135 G HN 1.334 nan 8.290 nan 0.000 0.428 136 F N -0.843 119.120 119.950 0.021 0.000 3.265 136 F HA 0.856 5.382 4.527 -0.001 0.000 0.328 136 F C -0.454 175.352 175.800 0.011 0.000 1.117 136 F CA -0.579 57.433 58.000 0.020 0.000 0.850 136 F CB 0.472 39.487 39.000 0.025 0.000 1.470 136 F HN 0.903 nan 8.300 nan 0.000 0.473 152 G N -0.465 108.379 108.800 0.074 0.000 2.395 152 G HA2 0.222 4.182 3.960 -0.001 0.000 0.214 152 G HA3 0.222 4.182 3.960 -0.001 0.000 0.214 152 G C 1.655 176.608 174.900 0.088 0.000 1.177 152 G CA 1.621 46.766 45.100 0.076 0.000 0.794 152 G HN 1.646 nan 8.290 nan 0.000 0.532 153 G N 0.235 109.090 108.800 0.093 0.000 2.534 153 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.217 153 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.217 153 G C 1.907 176.857 174.900 0.083 0.000 1.128 153 G CA 1.277 46.433 45.100 0.094 0.000 0.784 153 G HN 0.441 nan 8.290 nan 0.000 0.542 154 S N 0.574 116.329 115.700 0.093 0.000 2.368 154 S HA -0.114 4.356 4.470 -0.001 0.000 0.225 154 S C 2.018 176.658 174.600 0.066 0.000 1.030 154 S CA 1.911 60.164 58.200 0.088 0.000 0.999 154 S CB -0.200 63.061 63.200 0.102 0.000 0.844 154 S HN 0.427 nan 8.310 nan 0.000 0.459 155 D N 0.326 120.768 120.400 0.070 0.000 2.123 155 D HA -0.038 4.601 4.640 -0.001 0.000 0.200 155 D C 2.306 178.647 176.300 0.068 0.000 0.976 155 D CA 1.662 55.701 54.000 0.065 0.000 0.831 155 D CB -0.616 40.227 40.800 0.071 0.000 0.974 155 D HN 0.618 nan 8.370 nan 0.000 0.469 156 T N -1.728 112.879 114.554 0.088 0.000 2.951 156 T HA -0.121 4.228 4.350 -0.001 0.000 0.268 156 T C 2.008 176.684 174.700 -0.041 0.000 1.073 156 T CA 1.630 63.795 62.100 0.108 0.000 1.134 156 T CB -0.674 68.322 68.868 0.214 0.000 0.884 156 T HN 0.215 nan 8.240 nan 0.000 0.479 157 T N -0.600 113.927 114.554 -0.045 0.000 2.985 157 T HA 0.370 4.720 4.350 -0.001 0.000 0.266 157 T C 2.269 176.913 174.700 -0.093 0.000 1.076 157 T CA 0.694 62.730 62.100 -0.107 0.000 1.135 157 T CB -0.593 68.210 68.868 -0.108 0.000 0.890 157 T HN 0.465 nan 8.240 nan 0.000 0.480 158 A N 1.271 124.068 122.820 -0.039 0.000 1.873 158 A HA 0.118 4.437 4.320 -0.001 0.000 0.215 158 A C 2.565 180.128 177.584 -0.035 0.000 1.186 158 A CA 1.536 53.558 52.037 -0.027 0.000 0.616 158 A CB -1.009 17.995 19.000 0.007 0.000 0.823 158 A HN 0.405 nan 8.150 nan 0.000 0.442 159 V N -0.193 119.713 119.914 -0.014 0.000 2.453 159 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 159 V C 3.033 179.080 176.094 -0.077 0.000 1.048 159 V CA 1.667 63.968 62.300 0.002 0.000 1.049 159 V CB -1.180 30.697 31.823 0.090 0.000 0.672 159 V HN 0.602 nan 8.190 nan 0.000 0.457 160 A N -0.185 122.535 122.820 -0.168 0.000 1.883 160 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 160 A C 2.260 179.692 177.584 -0.254 0.000 1.186 160 A CA 1.937 53.800 52.037 -0.289 0.000 0.624 160 A CB -0.578 18.206 19.000 -0.360 0.000 0.822 160 A HN 0.468 nan 8.150 nan 0.000 0.444 161 L N -0.865 120.242 121.223 -0.193 0.000 1.994 161 L HA -0.234 4.106 4.340 -0.001 0.000 0.208 161 L C 3.163 179.940 176.870 -0.156 0.000 1.071 161 L CA 1.233 55.967 54.840 -0.178 0.000 0.745 161 L CB -0.568 41.400 42.059 -0.152 0.000 0.892 161 L HN 0.461 nan 8.230 nan 0.000 0.431 162 A N -0.166 122.587 122.820 -0.111 0.000 1.903 162 A HA -0.332 3.987 4.320 -0.001 0.000 0.219 162 A C 2.444 179.968 177.584 -0.099 0.000 1.191 162 A CA 2.358 54.349 52.037 -0.077 0.000 0.638 162 A CB -0.965 18.017 19.000 -0.031 0.000 0.823 162 A HN 0.513 nan 8.150 nan 0.000 0.451 163 A N -0.422 122.308 122.820 -0.150 0.000 1.858 163 A HA 0.148 4.468 4.320 -0.001 0.000 0.216 163 A C 2.587 180.004 177.584 -0.278 0.000 1.190 163 A CA 2.458 54.355 52.037 -0.234 0.000 0.617 163 A CB -1.262 17.456 19.000 -0.469 0.000 0.827 163 A HN 1.251 nan 8.150 nan 0.000 0.443 164 A N -0.428 122.207 122.820 -0.307 0.000 1.892 164 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 164 A C 2.036 179.518 177.584 -0.169 0.000 1.188 164 A CA 1.701 53.586 52.037 -0.252 0.000 0.631 164 A CB -0.647 18.210 19.000 -0.238 0.000 0.822 164 A HN 0.484 nan 8.150 nan 0.000 0.447 165 L N -0.782 120.353 121.223 -0.146 0.000 2.599 165 L HA 0.026 4.366 4.340 -0.001 0.000 0.230 165 L C 0.161 176.985 176.870 -0.077 0.000 1.141 165 L CA -0.050 54.725 54.840 -0.108 0.000 0.877 165 L CB -0.455 41.541 42.059 -0.106 0.000 1.009 165 L HN 0.406 nan 8.230 nan 0.000 0.447 166 N N 0.825 119.478 118.700 -0.078 0.000 2.725 166 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 166 N C 0.230 175.726 175.510 -0.025 0.000 1.031 166 N CA 0.766 53.791 53.050 -0.043 0.000 0.720 166 N CB -0.572 37.896 38.487 -0.032 0.000 0.930 166 N HN 0.395 nan 8.380 nan 0.000 0.543 167 A N -0.135 122.669 122.820 -0.028 0.000 2.386 167 A HA 0.155 4.475 4.320 -0.001 0.000 0.248 167 A C 1.282 178.870 177.584 0.007 0.000 1.082 167 A CA 0.026 52.056 52.037 -0.013 0.000 0.789 167 A CB 0.465 19.455 19.000 -0.017 0.000 1.025 167 A HN 0.268 nan 8.150 nan 0.000 0.490 168 D N -0.466 119.940 120.400 0.011 0.000 2.137 168 D HA 0.040 4.679 4.640 -0.001 0.000 0.202 168 D C 0.313 176.628 176.300 0.026 0.000 0.970 168 D CA 1.609 55.621 54.000 0.019 0.000 0.837 168 D CB 0.301 41.110 40.800 0.015 0.000 0.981 168 D HN 0.249 nan 8.370 nan 0.000 0.475 169 V N -0.246 119.680 119.914 0.020 0.000 2.971 169 V HA 0.334 4.454 4.120 -0.001 0.000 0.309 169 V C -1.687 174.415 176.094 0.013 0.000 1.130 169 V CA -0.884 61.427 62.300 0.019 0.000 0.964 169 V CB 2.558 34.384 31.823 0.004 0.000 1.029 169 V HN 0.194 nan 8.190 nan 0.000 0.427 170 C N 5.620 124.927 119.300 0.012 0.000 2.291 170 C HA 0.628 5.087 4.460 -0.001 0.000 0.322 170 C C -0.092 174.873 174.990 -0.042 0.000 1.205 170 C CA -0.478 58.539 59.018 -0.001 0.000 1.495 170 C CB -0.146 27.604 27.740 0.017 0.000 2.127 170 C HN 0.961 nan 8.230 nan 0.000 0.452 171 E N 4.343 124.497 120.200 -0.076 0.000 2.227 171 E HA 0.395 4.745 4.350 -0.001 0.000 0.282 171 E C -0.888 175.555 176.600 -0.261 0.000 1.015 171 E CA -0.349 55.918 56.400 -0.222 0.000 0.823 171 E CB 1.338 30.867 29.700 -0.284 0.000 1.081 171 E HN 0.544 nan 8.360 nan 0.000 0.396 172 I N 3.662 124.049 120.570 -0.306 0.000 2.330 172 I HA 0.146 4.316 4.170 -0.001 0.000 0.286 172 I C -0.919 175.012 176.117 -0.310 0.000 1.025 172 I CA -0.332 60.839 61.300 -0.214 0.000 1.197 172 I CB 0.071 38.015 38.000 -0.094 0.000 1.358 172 I HN 0.399 nan 8.210 nan 0.000 0.467 173 Y N 5.103 125.259 120.300 -0.239 0.000 2.320 173 Y HA 0.649 5.198 4.550 -0.001 0.000 0.334 173 Y C 0.912 176.790 175.900 -0.038 0.000 1.055 173 Y CA 0.099 58.083 58.100 -0.194 0.000 1.143 173 Y CB 1.604 39.790 38.460 -0.455 0.000 1.193 173 Y HN 0.698 nan 8.280 nan 0.000 0.477 174 S N 0.165 115.981 115.700 0.194 0.000 3.211 174 S HA 0.151 4.621 4.470 -0.001 0.000 0.320 174 S C 0.132 174.908 174.600 0.294 0.000 1.225 174 S CA -0.188 58.138 58.200 0.210 0.000 1.044 174 S CB 0.645 63.929 63.200 0.140 0.000 1.410 174 S HN 0.621 nan 8.310 nan 0.000 0.640 175 D N 0.377 120.938 120.400 0.267 0.000 2.305 175 D HA 0.054 4.694 4.640 -0.001 0.000 0.206 175 D C 0.416 176.815 176.300 0.164 0.000 0.974 175 D CA 0.542 54.694 54.000 0.252 0.000 0.871 175 D CB -0.275 40.601 40.800 0.127 0.000 0.947 175 D HN 0.268 nan 8.370 nan 0.000 0.516 176 V N 3.783 123.778 119.914 0.134 0.000 2.446 176 V HA -0.038 4.081 4.120 -0.001 0.000 0.276 176 V C 1.060 177.241 176.094 0.145 0.000 1.030 176 V CA 0.110 62.482 62.300 0.120 0.000 1.033 176 V CB 1.029 32.912 31.823 0.099 0.000 0.993 176 V HN 0.197 nan 8.190 nan 0.000 0.477 177 D N 2.989 123.498 120.400 0.180 0.000 2.340 177 D HA 0.262 4.901 4.640 -0.001 0.000 0.220 177 D C 0.612 176.991 176.300 0.131 0.000 1.039 177 D CA 0.841 54.941 54.000 0.166 0.000 0.866 177 D CB 0.777 41.684 40.800 0.180 0.000 0.913 177 D HN 0.681 nan 8.370 nan 0.000 0.523 178 G N -1.263 107.644 108.800 0.177 0.000 2.313 178 G HA2 0.334 4.293 3.960 -0.001 0.000 0.296 178 G HA3 0.334 4.293 3.960 -0.001 0.000 0.296 178 G C -1.850 173.121 174.900 0.119 0.000 1.356 178 G CA -0.636 44.489 45.100 0.042 0.000 0.833 178 G HN 0.031 nan 8.290 nan 0.000 0.552 179 V N 0.745 120.653 119.914 -0.011 0.000 2.465 179 V HA 0.546 4.665 4.120 -0.001 0.000 0.279 179 V C -0.625 175.450 176.094 -0.031 0.000 1.045 179 V CA -0.271 62.066 62.300 0.062 0.000 0.938 179 V CB 0.664 32.495 31.823 0.014 0.000 0.986 179 V HN 0.576 nan 8.190 nan 0.000 0.467 180 Y N 1.663 121.973 120.300 0.016 0.000 2.487 180 Y HA 0.275 4.825 4.550 -0.000 0.000 0.337 180 Y C 1.828 177.758 175.900 0.050 0.000 1.076 180 Y CA -0.373 57.745 58.100 0.029 0.000 1.115 180 Y CB 1.963 40.436 38.460 0.022 0.000 1.235 180 Y HN 0.766 nan 8.280 nan 0.000 0.468 181 T N -1.026 113.659 114.554 0.219 0.000 2.881 181 T HA 0.236 4.586 4.350 -0.001 0.000 0.270 181 T C 0.520 175.382 174.700 0.270 0.000 1.068 181 T CA 0.987 63.220 62.100 0.222 0.000 1.131 181 T CB -0.130 68.906 68.868 0.280 0.000 0.871 181 T HN 0.676 nan 8.240 nan 0.000 0.479 182 A N 0.278 123.227 122.820 0.214 0.000 2.564 182 A HA 0.532 4.851 4.320 -0.001 0.000 0.291 182 A C -1.640 175.960 177.584 0.026 0.000 1.102 182 A CA -0.774 51.318 52.037 0.092 0.000 0.660 182 A CB 0.570 19.561 19.000 -0.015 0.000 1.283 182 A HN 0.110 nan 8.150 nan 0.000 0.430 183 D N 0.603 120.989 120.400 -0.024 0.000 2.401 183 D HA 0.299 4.939 4.640 -0.001 0.000 0.254 183 D C -1.546 174.679 176.300 -0.124 0.000 1.192 183 D CA -1.348 52.606 54.000 -0.076 0.000 0.885 183 D CB 1.092 41.858 40.800 -0.056 0.000 1.147 183 D HN 0.070 nan 8.370 nan 0.000 0.478 184 P HA -0.156 nan 4.420 nan 0.000 0.218 184 P C 1.126 178.350 177.300 -0.126 0.000 1.148 184 P CA 1.359 64.352 63.100 -0.177 0.000 0.822 184 P CB 0.073 31.609 31.700 -0.274 0.000 0.784 185 R N -1.156 119.276 120.500 -0.113 0.000 2.093 185 R HA -0.003 4.336 4.340 -0.001 0.000 0.224 185 R C 1.791 178.049 176.300 -0.070 0.000 1.101 185 R CA 1.125 57.176 56.100 -0.082 0.000 0.979 185 R CB -1.068 29.190 30.300 -0.070 0.000 0.877 185 R HN 0.083 nan 8.270 nan 0.000 0.441 186 I N 1.581 122.107 120.570 -0.074 0.000 2.206 186 I HA -0.008 4.162 4.170 -0.001 0.000 0.239 186 I C 0.898 176.966 176.117 -0.082 0.000 1.078 186 I CA 0.666 61.928 61.300 -0.064 0.000 1.367 186 I CB -0.422 37.545 38.000 -0.054 0.000 1.078 186 I HN -0.061 nan 8.210 nan 0.000 0.413 187 V N 3.597 123.438 119.914 -0.122 0.000 2.318 187 V HA 0.158 4.278 4.120 -0.001 0.000 0.271 187 V C -1.450 174.541 176.094 -0.171 0.000 1.030 187 V CA -0.975 61.215 62.300 -0.183 0.000 0.844 187 V CB 1.089 32.701 31.823 -0.352 0.000 1.015 187 V HN 0.101 nan 8.190 nan 0.000 0.460 188 P HA -0.121 nan 4.420 nan 0.000 0.216 188 P C 1.292 178.559 177.300 -0.056 0.000 1.153 188 P CA 1.133 64.190 63.100 -0.071 0.000 0.848 188 P CB 0.127 31.802 31.700 -0.042 0.000 0.787 189 N N -0.349 118.319 118.700 -0.053 0.000 2.609 189 N HA -0.003 4.736 4.740 -0.001 0.000 0.190 189 N C 0.068 175.616 175.510 0.062 0.000 1.157 189 N CA -0.339 52.727 53.050 0.026 0.000 0.918 189 N CB -0.187 38.358 38.487 0.095 0.000 0.978 189 N HN -0.004 nan 8.380 nan 0.000 0.448 190 A N 1.420 124.175 122.820 -0.108 0.000 2.546 190 A HA 0.004 4.323 4.320 -0.001 0.000 0.243 190 A C 0.180 177.884 177.584 0.200 0.000 1.063 190 A CA 0.156 52.189 52.037 -0.006 0.000 0.757 190 A CB 0.202 19.152 19.000 -0.084 0.000 0.991 190 A HN 0.581 nan 8.150 nan 0.000 0.503 191 Q N 1.940 121.901 119.800 0.269 0.000 2.413 191 Q HA 0.564 4.904 4.340 -0.001 0.000 0.276 191 Q C -0.476 175.539 176.000 0.025 0.000 1.099 191 Q CA -1.055 54.867 55.803 0.200 0.000 0.814 191 Q CB 1.409 30.209 28.738 0.104 0.000 1.379 191 Q HN 0.673 nan 8.270 nan 0.000 0.436 192 K N 1.414 121.610 120.400 -0.341 0.000 2.414 192 K HA 0.101 4.421 4.320 -0.001 0.000 0.272 192 K C -0.943 175.426 176.600 -0.386 0.000 0.993 192 K CA -0.411 55.328 56.287 -0.912 0.000 0.964 192 K CB 0.485 32.488 32.500 -0.827 0.000 0.925 192 K HN 0.595 nan 8.250 nan 0.000 0.487 193 L N 3.337 124.352 121.223 -0.347 0.000 2.307 193 L HA 0.165 4.505 4.340 -0.001 0.000 0.282 193 L C 1.041 177.817 176.870 -0.156 0.000 1.051 193 L CA 0.332 55.065 54.840 -0.178 0.000 0.804 193 L CB 1.424 43.410 42.059 -0.123 0.000 1.197 193 L HN 0.936 nan 8.230 nan 0.000 0.431 194 E N 3.578 123.710 120.200 -0.113 0.000 2.060 194 E HA -0.011 4.338 4.350 -0.001 0.000 0.189 194 E C -0.003 176.541 176.600 -0.093 0.000 0.974 194 E CA 0.808 57.151 56.400 -0.095 0.000 0.808 194 E CB 0.361 30.017 29.700 -0.073 0.000 0.768 194 E HN 0.536 nan 8.360 nan 0.000 0.453 195 K N -0.006 120.340 120.400 -0.091 0.000 2.551 195 K HA 0.427 4.746 4.320 -0.001 0.000 0.269 195 K C -1.704 174.836 176.600 -0.100 0.000 0.949 195 K CA -0.826 55.402 56.287 -0.099 0.000 0.849 195 K CB 1.544 33.989 32.500 -0.093 0.000 1.411 195 K HN 0.179 nan 8.250 nan 0.000 0.432 196 L N -0.922 120.227 121.223 -0.123 0.000 2.671 196 L HA 0.598 4.937 4.340 -0.001 0.000 0.259 196 L C -0.418 176.344 176.870 -0.180 0.000 1.021 196 L CA -0.956 53.812 54.840 -0.119 0.000 0.871 196 L CB 1.691 43.697 42.059 -0.088 0.000 1.472 196 L HN 0.734 nan 8.230 nan 0.000 0.410 197 S N -0.160 115.447 115.700 -0.155 0.000 2.634 197 S HA 0.446 4.915 4.470 -0.001 0.000 0.261 197 S C 0.809 175.296 174.600 -0.189 0.000 1.271 197 S CA -0.404 57.669 58.200 -0.210 0.000 0.985 197 S CB 0.482 63.628 63.200 -0.089 0.000 0.968 197 S HN 0.593 nan 8.310 nan 0.000 0.568 198 F N 0.904 120.842 119.950 -0.020 0.000 2.075 198 F HA -0.046 4.481 4.527 -0.001 0.000 0.297 198 F C 2.642 178.427 175.800 -0.025 0.000 1.113 198 F CA 1.761 59.749 58.000 -0.020 0.000 1.218 198 F CB -0.599 38.389 39.000 -0.020 0.000 0.984 198 F HN 0.545 nan 8.300 nan 0.000 0.472 199 E N 0.314 120.615 120.200 0.169 0.000 2.110 199 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 199 E C 1.891 178.512 176.600 0.035 0.000 0.988 199 E CA 1.385 57.831 56.400 0.076 0.000 0.804 199 E CB -0.369 29.359 29.700 0.046 0.000 0.745 199 E HN 0.448 nan 8.360 nan 0.000 0.458 200 E N -0.352 119.858 120.200 0.016 0.000 2.150 200 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 200 E C 1.869 178.470 176.600 0.000 0.000 0.985 200 E CA 0.980 57.376 56.400 -0.007 0.000 0.814 200 E CB -0.064 29.618 29.700 -0.029 0.000 0.752 200 E HN 0.193 nan 8.360 nan 0.000 0.466 201 M N 0.410 120.018 119.600 0.014 0.000 2.160 201 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 201 M C 1.791 178.110 176.300 0.032 0.000 1.073 201 M CA 1.122 56.435 55.300 0.022 0.000 1.142 201 M CB -0.087 32.533 32.600 0.034 0.000 1.358 201 M HN 0.016 nan 8.290 nan 0.000 0.422 202 L N 0.839 122.087 121.223 0.042 0.000 2.021 202 L HA -0.252 4.087 4.340 -0.001 0.000 0.215 202 L C 2.443 179.318 176.870 0.009 0.000 1.074 202 L CA 1.909 56.763 54.840 0.024 0.000 0.760 202 L CB -1.347 40.723 42.059 0.018 0.000 0.889 202 L HN 0.388 nan 8.230 nan 0.000 0.433 203 E N -0.755 119.448 120.200 0.006 0.000 2.047 203 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 203 E C 2.417 179.019 176.600 0.004 0.000 0.987 203 E CA 0.953 57.351 56.400 -0.003 0.000 0.799 203 E CB -0.358 29.335 29.700 -0.012 0.000 0.752 203 E HN 0.435 nan 8.360 nan 0.000 0.449 204 L N 0.709 121.939 121.223 0.010 0.000 2.012 204 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 204 L C 2.579 179.463 176.870 0.024 0.000 1.073 204 L CA 1.318 56.170 54.840 0.020 0.000 0.748 204 L CB -0.487 41.587 42.059 0.025 0.000 0.891 204 L HN 0.082 nan 8.230 nan 0.000 0.431 205 A N -0.374 122.460 122.820 0.023 0.000 1.972 205 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 205 A C 2.446 180.041 177.584 0.018 0.000 1.169 205 A CA 1.597 53.649 52.037 0.024 0.000 0.635 205 A CB -0.614 18.402 19.000 0.025 0.000 0.810 205 A HN 0.430 nan 8.150 nan 0.000 0.446 206 A N -0.353 122.474 122.820 0.011 0.000 2.014 206 A HA 0.124 4.443 4.320 -0.001 0.000 0.218 206 A C 1.775 179.366 177.584 0.011 0.000 1.163 206 A CA 1.718 53.759 52.037 0.006 0.000 0.652 206 A CB -0.593 18.405 19.000 -0.004 0.000 0.808 206 A HN 1.194 nan 8.150 nan 0.000 0.449 207 V N -4.979 114.944 119.914 0.015 0.000 3.176 207 V HA 0.700 4.820 4.120 -0.001 0.000 0.332 207 V C 0.715 176.826 176.094 0.028 0.000 1.414 207 V CA 0.620 62.932 62.300 0.019 0.000 1.133 207 V CB -0.423 31.410 31.823 0.016 0.000 1.088 207 V HN 0.709 nan 8.190 nan 0.000 0.473 208 G N 0.927 109.744 108.800 0.028 0.000 3.594 208 G HA2 0.099 4.059 3.960 -0.001 0.000 0.107 208 G HA3 0.099 4.059 3.960 -0.001 0.000 0.107 208 G C 0.309 175.227 174.900 0.029 0.000 1.307 208 G CA 0.363 45.480 45.100 0.030 0.000 1.089 208 G HN 0.951 nan 8.290 nan 0.000 0.364 209 S N 0.864 116.583 115.700 0.033 0.000 2.576 209 S HA 0.440 4.910 4.470 -0.001 0.000 0.272 209 S C 0.172 174.792 174.600 0.033 0.000 1.352 209 S CA 1.066 59.287 58.200 0.034 0.000 1.021 209 S CB 0.950 64.176 63.200 0.043 0.000 0.887 209 S HN 0.999 nan 8.310 nan 0.000 0.542 210 K N 0.932 121.353 120.400 0.034 0.000 3.394 210 K HA 0.343 4.663 4.320 -0.001 0.000 0.175 210 K C -0.390 176.233 176.600 0.038 0.000 1.047 210 K CA -0.551 55.757 56.287 0.034 0.000 0.814 210 K CB -0.147 32.372 32.500 0.032 0.000 0.803 210 K HN 0.362 nan 8.250 nan 0.000 0.522 211 I N 1.127 121.722 120.570 0.042 0.000 2.133 211 I HA -0.161 4.008 4.170 -0.001 0.000 0.238 211 I C 0.716 176.858 176.117 0.043 0.000 1.074 211 I CA 1.258 62.586 61.300 0.046 0.000 1.342 211 I CB -0.263 37.769 38.000 0.052 0.000 1.053 211 I HN 0.464 nan 8.210 nan 0.000 0.404 212 L N -2.387 118.860 121.223 0.040 0.000 2.303 212 L HA 0.576 4.916 4.340 -0.001 0.000 0.266 212 L C -0.219 176.677 176.870 0.043 0.000 1.011 212 L CA -1.316 53.548 54.840 0.040 0.000 0.818 212 L CB 0.066 42.147 42.059 0.037 0.000 1.326 212 L HN -0.357 nan 8.230 nan 0.000 0.435 213 V N 2.680 122.623 119.914 0.048 0.000 2.479 213 V HA -0.008 4.112 4.120 -0.001 0.000 0.281 213 V C 1.656 177.772 176.094 0.037 0.000 1.031 213 V CA -0.259 62.069 62.300 0.046 0.000 1.038 213 V CB 0.503 32.362 31.823 0.060 0.000 0.981 213 V HN 0.738 nan 8.190 nan 0.000 0.478 214 L N 5.427 126.662 121.223 0.020 0.000 2.010 214 L HA -0.238 4.101 4.340 -0.001 0.000 0.219 214 L C 2.469 179.318 176.870 -0.034 0.000 1.077 214 L CA 2.061 56.899 54.840 -0.004 0.000 0.773 214 L CB -0.923 41.127 42.059 -0.016 0.000 0.892 214 L HN 0.639 nan 8.230 nan 0.000 0.436 215 R N -0.736 119.741 120.500 -0.039 0.000 2.105 215 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 215 R C 2.472 178.723 176.300 -0.081 0.000 1.135 215 R CA 1.469 57.499 56.100 -0.118 0.000 0.967 215 R CB -0.768 29.509 30.300 -0.038 0.000 0.861 215 R HN 0.626 nan 8.270 nan 0.000 0.442 216 S N -0.133 115.623 115.700 0.094 0.000 2.383 216 S HA -0.070 4.400 4.470 -0.001 0.000 0.227 216 S C 2.059 176.745 174.600 0.142 0.000 1.026 216 S CA 1.154 59.478 58.200 0.207 0.000 0.981 216 S CB -0.398 62.892 63.200 0.150 0.000 0.818 216 S HN 0.075 nan 8.310 nan 0.000 0.472 217 V N 2.051 122.008 119.914 0.070 0.000 2.453 217 V HA -0.058 4.062 4.120 -0.001 0.000 0.247 217 V C 2.849 178.938 176.094 -0.008 0.000 1.048 217 V CA 1.969 64.316 62.300 0.078 0.000 1.049 217 V CB -0.976 30.901 31.823 0.091 0.000 0.672 217 V HN 0.507 nan 8.190 nan 0.000 0.457 218 E N 0.142 120.287 120.200 -0.091 0.000 2.110 218 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 218 E C 1.988 178.463 176.600 -0.208 0.000 0.988 218 E CA 1.706 57.990 56.400 -0.192 0.000 0.804 218 E CB -0.489 29.050 29.700 -0.268 0.000 0.745 218 E HN 0.699 nan 8.360 nan 0.000 0.458 219 Y N -0.074 120.198 120.300 -0.047 0.000 2.181 219 Y HA -0.179 4.370 4.550 -0.001 0.000 0.288 219 Y C 2.381 178.275 175.900 -0.011 0.000 1.146 219 Y CA 0.800 58.910 58.100 0.016 0.000 1.164 219 Y CB -0.406 38.111 38.460 0.095 0.000 0.982 219 Y HN 0.178 nan 8.280 nan 0.000 0.515 220 A N 0.347 123.220 122.820 0.088 0.000 1.908 220 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 220 A C 2.290 179.506 177.584 -0.613 0.000 1.181 220 A CA 1.717 53.707 52.037 -0.078 0.000 0.627 220 A CB -0.623 18.419 19.000 0.070 0.000 0.818 220 A HN 0.300 nan 8.150 nan 0.000 0.445 221 R N -0.251 119.770 120.500 -0.798 0.000 2.081 221 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 221 R C 2.367 178.300 176.300 -0.611 0.000 1.131 221 R CA 1.630 57.072 56.100 -1.097 0.000 0.960 221 R CB -0.729 29.259 30.300 -0.520 0.000 0.856 221 R HN 0.467 nan 8.270 nan 0.000 0.436 222 A N -0.042 122.516 122.820 -0.437 0.000 1.877 222 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 222 A C 1.669 178.915 177.584 -0.563 0.000 1.186 222 A CA 1.319 53.050 52.037 -0.511 0.000 0.620 222 A CB -0.502 18.112 19.000 -0.642 0.000 0.822 222 A HN 0.335 nan 8.150 nan 0.000 0.443 223 F N -0.441 119.429 119.950 -0.133 0.000 2.693 223 F HA 0.251 4.777 4.527 -0.001 0.000 0.303 223 F C 0.798 176.546 175.800 -0.087 0.000 1.097 223 F CA -0.038 57.911 58.000 -0.085 0.000 1.330 223 F CB -0.606 38.362 39.000 -0.053 0.000 1.067 223 F HN 0.400 nan 8.300 nan 0.000 0.565 224 N N 1.579 120.244 118.700 -0.058 0.000 2.641 224 N HA -0.206 4.533 4.740 -0.001 0.000 0.267 224 N C -1.003 174.600 175.510 0.155 0.000 1.087 224 N CA 0.119 53.185 53.050 0.027 0.000 0.731 224 N CB -0.527 38.020 38.487 0.101 0.000 0.886 224 N HN 0.166 nan 8.380 nan 0.000 0.547 225 V N 2.919 122.933 119.914 0.167 0.000 2.349 225 V HA 0.508 4.628 4.120 -0.001 0.000 0.284 225 V C -2.248 174.032 176.094 0.310 0.000 1.014 225 V CA -1.703 60.712 62.300 0.192 0.000 0.826 225 V CB 1.528 33.420 31.823 0.115 0.000 1.009 225 V HN 0.162 nan 8.190 nan 0.000 0.431 226 P HA 0.158 nan 4.420 nan 0.000 0.260 226 P C -0.550 176.813 177.300 0.106 0.000 1.185 226 P CA 0.538 63.731 63.100 0.155 0.000 0.763 226 P CB 0.283 32.014 31.700 0.050 0.000 0.776 227 L N 3.989 125.272 121.223 0.100 0.000 2.343 227 L HA 0.577 4.917 4.340 -0.001 0.000 0.275 227 L C 0.853 177.701 176.870 -0.035 0.000 1.056 227 L CA -0.691 54.175 54.840 0.042 0.000 0.804 227 L CB 1.420 43.529 42.059 0.084 0.000 1.203 227 L HN 0.302 nan 8.230 nan 0.000 0.440 228 R N 1.527 121.980 120.500 -0.077 0.000 2.473 228 R HA 0.476 4.815 4.340 -0.001 0.000 0.303 228 R C -1.630 174.566 176.300 -0.173 0.000 1.002 228 R CA -0.516 55.510 56.100 -0.123 0.000 0.884 228 R CB 1.781 32.000 30.300 -0.136 0.000 1.173 228 R HN 0.440 nan 8.270 nan 0.000 0.464 229 V N 6.281 126.116 119.914 -0.131 0.000 2.408 229 V HA 0.429 4.548 4.120 -0.001 0.000 0.267 229 V C 0.145 176.157 176.094 -0.137 0.000 1.047 229 V CA -0.147 62.080 62.300 -0.123 0.000 0.937 229 V CB 0.526 32.319 31.823 -0.050 0.000 0.999 229 V HN 0.804 nan 8.190 nan 0.000 0.472 230 R N 2.522 122.896 120.500 -0.210 0.000 2.734 230 R HA 0.702 5.042 4.340 -0.001 0.000 0.271 230 R C -0.822 175.453 176.300 -0.041 0.000 1.021 230 R CA -0.676 55.335 56.100 -0.148 0.000 0.893 230 R CB 1.703 31.870 30.300 -0.222 0.000 1.244 230 R HN 0.461 nan 8.270 nan 0.000 0.464 231 S N -0.099 115.674 115.700 0.121 0.000 2.562 231 S HA 0.124 4.594 4.470 -0.001 0.000 0.275 231 S C 0.797 175.614 174.600 0.361 0.000 1.281 231 S CA -0.229 58.125 58.200 0.256 0.000 1.045 231 S CB 1.114 64.472 63.200 0.264 0.000 0.962 231 S HN 0.678 nan 8.310 nan 0.000 0.503 232 S N 3.577 119.457 115.700 0.300 0.000 2.561 232 S HA 0.041 4.510 4.470 -0.001 0.000 0.225 232 S C 0.616 175.079 174.600 -0.229 0.000 0.977 232 S CA 0.253 58.471 58.200 0.030 0.000 0.926 232 S CB -0.546 62.580 63.200 -0.123 0.000 0.769 232 S HN 0.851 nan 8.310 nan 0.000 0.533 233 Y N 2.599 122.981 120.300 0.135 0.000 2.458 233 Y HA 0.397 4.947 4.550 -0.000 0.000 0.256 233 Y C 1.115 177.064 175.900 0.081 0.000 1.159 233 Y CA -0.225 57.928 58.100 0.088 0.000 1.261 233 Y CB 0.240 38.744 38.460 0.074 0.000 1.119 233 Y HN 0.439 nan 8.280 nan 0.000 0.524 234 S N -1.687 114.138 115.700 0.208 0.000 2.625 234 S HA 0.323 4.792 4.470 -0.001 0.000 0.271 234 S C -0.376 174.305 174.600 0.134 0.000 1.161 234 S CA -0.988 57.304 58.200 0.154 0.000 0.820 234 S CB 1.105 64.394 63.200 0.149 0.000 1.137 234 S HN 0.231 nan 8.310 nan 0.000 0.470 235 N N 0.546 119.307 118.700 0.102 0.000 2.336 235 N HA 0.101 4.841 4.740 -0.001 0.000 0.189 235 N C -0.539 175.019 175.510 0.080 0.000 1.113 235 N CA -0.149 52.956 53.050 0.092 0.000 0.858 235 N CB 0.128 38.655 38.487 0.067 0.000 0.970 235 N HN 0.656 nan 8.380 nan 0.000 0.471 236 D N 2.157 122.605 120.400 0.080 0.000 2.487 236 D HA -0.028 4.612 4.640 -0.001 0.000 0.243 236 D C -1.247 175.076 176.300 0.039 0.000 1.154 236 D CA -1.270 52.763 54.000 0.055 0.000 0.876 236 D CB 1.165 42.002 40.800 0.061 0.000 1.161 236 D HN 0.147 nan 8.370 nan 0.000 0.478 237 P HA -0.012 nan 4.420 nan 0.000 0.225 237 P C 0.935 178.211 177.300 -0.040 0.000 1.148 237 P CA 1.048 64.144 63.100 -0.007 0.000 0.779 237 P CB 0.163 31.855 31.700 -0.013 0.000 0.780 238 G N -0.547 108.229 108.800 -0.041 0.000 2.512 238 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.254 238 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.254 238 G C -0.679 174.166 174.900 -0.091 0.000 1.199 238 G CA 0.068 45.130 45.100 -0.064 0.000 0.941 238 G HN 0.297 nan 8.290 nan 0.000 0.569 239 T N 1.017 115.512 114.554 -0.098 0.000 2.791 239 T HA 0.534 4.884 4.350 -0.001 0.000 0.288 239 T C -0.124 174.517 174.700 -0.098 0.000 0.999 239 T CA -0.187 61.851 62.100 -0.103 0.000 0.952 239 T CB 1.654 70.460 68.868 -0.102 0.000 0.938 239 T HN 0.939 nan 8.240 nan 0.000 0.444 240 L N 5.482 126.645 121.223 -0.099 0.000 2.319 240 L HA 0.589 4.928 4.340 -0.001 0.000 0.280 240 L C -0.269 176.519 176.870 -0.137 0.000 1.099 240 L CA -0.354 54.422 54.840 -0.107 0.000 0.828 240 L CB 0.165 42.166 42.059 -0.097 0.000 1.150 240 L HN 0.719 nan 8.230 nan 0.000 0.442 241 I N 5.019 125.496 120.570 -0.155 0.000 2.355 241 I HA 0.871 5.041 4.170 -0.001 0.000 0.288 241 I C -0.727 175.113 176.117 -0.461 0.000 0.999 241 I CA -0.059 61.090 61.300 -0.252 0.000 1.163 241 I CB 1.061 38.967 38.000 -0.156 0.000 1.316 241 I HN 0.821 nan 8.210 nan 0.000 0.454 242 A N 4.637 127.058 122.820 -0.665 0.000 2.594 242 A HA 0.801 5.120 4.320 -0.001 0.000 0.296 242 A C -0.181 177.019 177.584 -0.640 0.000 1.056 242 A CA -0.103 51.471 52.037 -0.772 0.000 0.693 242 A CB 0.748 19.575 19.000 -0.288 0.000 1.278 242 A HN 2.114 nan 8.150 nan 0.000 0.408 243 G N -0.107 108.425 108.800 -0.447 0.000 2.716 243 G HA2 0.360 4.320 3.960 -0.001 0.000 0.686 243 G HA3 0.360 4.320 3.960 -0.001 0.000 0.686 243 G C 0.030 174.943 174.900 0.021 0.000 1.337 243 G CA 0.135 45.185 45.100 -0.083 0.000 0.829 243 G HN 2.079 nan 8.290 nan 0.000 0.599 244 S N 0.552 116.342 115.700 0.150 0.000 2.562 244 S HA 0.486 4.955 4.470 -0.001 0.000 0.275 244 S C 2.051 176.684 174.600 0.054 0.000 1.281 244 S CA 0.453 58.744 58.200 0.152 0.000 1.045 244 S CB 0.668 63.940 63.200 0.119 0.000 0.962 244 S HN 1.371 nan 8.310 nan 0.000 0.503 245 M N 3.433 123.059 119.600 0.043 0.000 2.213 245 M HA 0.084 4.564 4.480 -0.001 0.000 0.263 245 M C 1.727 178.034 176.300 0.012 0.000 1.062 245 M CA 2.173 57.481 55.300 0.013 0.000 1.105 245 M CB -1.306 31.300 32.600 0.009 0.000 1.385 245 M HN 0.618 nan 8.290 nan 0.000 0.417 246 E N 1.201 121.412 120.200 0.018 0.000 2.338 246 E HA -0.159 4.191 4.350 -0.001 0.000 0.197 246 E C 1.279 177.885 176.600 0.010 0.000 1.007 246 E CA 1.598 58.004 56.400 0.010 0.000 0.849 246 E CB -0.922 28.782 29.700 0.008 0.000 0.774 246 E HN 0.714 nan 8.360 nan 0.000 0.506 247 D N -1.103 119.306 120.400 0.015 0.000 2.339 247 D HA 0.154 4.794 4.640 -0.001 0.000 0.217 247 D C -0.250 176.053 176.300 0.004 0.000 1.050 247 D CA -0.188 53.819 54.000 0.011 0.000 0.856 247 D CB 0.187 40.998 40.800 0.019 0.000 0.922 247 D HN 0.413 nan 8.370 nan 0.000 0.518 248 I N 1.945 122.516 120.570 0.002 0.000 2.312 248 I HA 0.191 4.361 4.170 -0.001 0.000 0.291 248 I C -2.249 173.871 176.117 0.005 0.000 1.031 248 I CA -2.261 59.038 61.300 -0.001 0.000 1.293 248 I CB 1.043 39.039 38.000 -0.008 0.000 1.403 248 I HN -0.297 nan 8.210 nan 0.000 0.484 249 P HA -0.057 nan 4.420 nan 0.000 0.262 249 P C 1.003 178.315 177.300 0.021 0.000 1.182 249 P CA 0.129 63.234 63.100 0.009 0.000 0.761 249 P CB 0.687 32.391 31.700 0.007 0.000 0.795 250 V N 3.953 123.879 119.914 0.019 0.000 2.317 250 V HA -0.294 3.826 4.120 -0.001 0.000 0.251 250 V C 1.947 178.098 176.094 0.095 0.000 1.065 250 V CA 2.497 64.819 62.300 0.037 0.000 1.049 250 V CB -0.753 31.059 31.823 -0.019 0.000 0.651 250 V HN 0.698 nan 8.190 nan 0.000 0.450 251 E N -0.444 119.794 120.200 0.063 0.000 2.338 251 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 251 E C 1.670 178.309 176.600 0.065 0.000 1.007 251 E CA 1.579 58.028 56.400 0.081 0.000 0.849 251 E CB -0.333 29.394 29.700 0.045 0.000 0.774 251 E HN 0.827 nan 8.360 nan 0.000 0.506 252 E N 0.749 120.975 120.200 0.043 0.000 2.476 252 E HA 0.249 4.598 4.350 -0.001 0.000 0.199 252 E C 0.456 177.062 176.600 0.010 0.000 1.021 252 E CA 0.038 56.449 56.400 0.018 0.000 0.907 252 E CB 0.626 30.330 29.700 0.006 0.000 0.974 252 E HN 0.221 nan 8.360 nan 0.000 0.489 253 A N 1.721 124.561 122.820 0.034 0.000 2.466 253 A HA 0.342 4.662 4.320 -0.001 0.000 0.238 253 A C 0.356 177.922 177.584 -0.030 0.000 1.074 253 A CA -0.191 51.856 52.037 0.017 0.000 0.774 253 A CB 0.318 19.353 19.000 0.058 0.000 1.015 253 A HN 0.089 nan 8.150 nan 0.000 0.498 254 V N -0.355 119.527 119.914 -0.053 0.000 3.202 254 V HA 0.712 4.832 4.120 -0.001 0.000 0.306 254 V C -0.541 175.497 176.094 -0.094 0.000 1.283 254 V CA -1.115 61.133 62.300 -0.086 0.000 1.065 254 V CB 1.284 33.067 31.823 -0.068 0.000 1.079 254 V HN 0.775 nan 8.190 nan 0.000 0.448 255 L N 0.770 121.925 121.223 -0.113 0.000 2.334 255 L HA 0.555 4.895 4.340 -0.001 0.000 0.277 255 L C 1.138 177.951 176.870 -0.096 0.000 1.075 255 L CA 0.018 54.775 54.840 -0.138 0.000 0.804 255 L CB 1.633 43.558 42.059 -0.223 0.000 1.174 255 L HN 0.934 nan 8.230 nan 0.000 0.438 256 T N 0.413 114.917 114.554 -0.083 0.000 3.056 256 T HA 0.335 4.685 4.350 -0.001 0.000 0.243 256 T C 0.345 175.034 174.700 -0.019 0.000 0.995 256 T CA 0.406 62.476 62.100 -0.050 0.000 1.091 256 T CB 0.830 69.671 68.868 -0.045 0.000 0.990 256 T HN 0.813 nan 8.240 nan 0.000 0.464 257 G N 0.115 108.910 108.800 -0.008 0.000 2.451 257 G HA2 0.496 4.456 3.960 -0.001 0.000 0.292 257 G HA3 0.496 4.456 3.960 -0.001 0.000 0.292 257 G C -2.138 172.805 174.900 0.071 0.000 1.427 257 G CA -0.555 44.576 45.100 0.051 0.000 0.792 257 G HN 0.082 nan 8.290 nan 0.000 0.498 258 V N 0.242 120.234 119.914 0.132 0.000 2.459 258 V HA 0.810 4.929 4.120 -0.001 0.000 0.295 258 V C 0.382 176.539 176.094 0.105 0.000 1.029 258 V CA -0.133 62.248 62.300 0.135 0.000 0.874 258 V CB 1.234 33.166 31.823 0.181 0.000 0.985 258 V HN 1.485 nan 8.190 nan 0.000 0.438 259 A N 3.376 126.250 122.820 0.090 0.000 2.371 259 A HA 0.920 5.240 4.320 -0.001 0.000 0.311 259 A C -0.069 177.553 177.584 0.063 0.000 1.068 259 A CA -0.454 51.623 52.037 0.067 0.000 0.744 259 A CB 1.741 20.774 19.000 0.055 0.000 1.239 259 A HN 0.880 nan 8.150 nan 0.000 0.435 260 T N -1.128 113.454 114.554 0.046 0.000 2.942 260 T HA 0.776 5.126 4.350 -0.001 0.000 0.289 260 T C -1.326 173.391 174.700 0.029 0.000 1.044 260 T CA -0.606 61.517 62.100 0.037 0.000 1.023 260 T CB 2.004 70.887 68.868 0.024 0.000 1.123 260 T HN 0.524 nan 8.240 nan 0.000 0.512 261 D N 0.103 120.517 120.400 0.024 0.000 2.548 261 D HA 0.193 4.832 4.640 -0.001 0.000 0.214 261 D C -0.158 176.149 176.300 0.011 0.000 1.345 261 D CA -0.589 53.422 54.000 0.019 0.000 0.945 261 D CB 1.365 42.179 40.800 0.023 0.000 1.499 261 D HN 0.823 nan 8.370 nan 0.000 0.579 262 K N 0.852 121.256 120.400 0.007 0.000 2.455 262 K HA 0.186 4.505 4.320 -0.001 0.000 0.206 262 K C 0.755 177.356 176.600 0.001 0.000 1.027 262 K CA -0.164 56.123 56.287 0.000 0.000 1.113 262 K CB 0.365 32.864 32.500 -0.002 0.000 0.850 262 K HN 0.100 nan 8.250 nan 0.000 0.503 263 S N -0.680 115.025 115.700 0.009 0.000 2.503 263 S HA 0.081 4.550 4.470 -0.001 0.000 0.217 263 S C 0.199 174.809 174.600 0.017 0.000 0.999 263 S CA -0.229 57.980 58.200 0.015 0.000 0.914 263 S CB -0.003 63.210 63.200 0.023 0.000 0.782 263 S HN 0.234 nan 8.310 nan 0.000 0.520 264 E N 1.583 121.788 120.200 0.007 0.000 2.313 264 E HA 0.737 5.086 4.350 -0.001 0.000 0.272 264 E C -0.204 176.374 176.600 -0.038 0.000 1.038 264 E CA -0.012 56.390 56.400 0.003 0.000 0.863 264 E CB 1.471 31.174 29.700 0.004 0.000 1.060 264 E HN 0.485 nan 8.360 nan 0.000 0.402 265 A N 2.751 125.543 122.820 -0.046 0.000 2.269 265 A HA 0.661 4.981 4.320 -0.001 0.000 0.319 265 A C -0.721 176.746 177.584 -0.195 0.000 1.110 265 A CA -0.641 51.293 52.037 -0.172 0.000 0.847 265 A CB 0.596 19.499 19.000 -0.161 0.000 1.161 265 A HN 0.595 nan 8.150 nan 0.000 0.497 266 K N -0.141 120.070 120.400 -0.315 0.000 2.371 266 K HA 0.744 5.064 4.320 -0.001 0.000 0.251 266 K C -1.769 174.588 176.600 -0.405 0.000 0.934 266 K CA -0.636 55.458 56.287 -0.320 0.000 0.798 266 K CB 2.167 34.533 32.500 -0.223 0.000 1.204 266 K HN 0.291 nan 8.250 nan 0.000 0.427 267 V N 2.145 121.703 119.914 -0.593 0.000 2.588 267 V HA 0.402 4.521 4.120 -0.001 0.000 0.304 267 V C -0.905 174.898 176.094 -0.485 0.000 1.042 267 V CA -0.576 61.391 62.300 -0.557 0.000 0.877 267 V CB 2.152 33.463 31.823 -0.853 0.000 0.996 267 V HN 0.970 nan 8.190 nan 0.000 0.425 268 T N 4.054 118.457 114.554 -0.252 0.000 2.812 268 T HA 0.532 4.881 4.350 -0.001 0.000 0.282 268 T C -0.505 174.089 174.700 -0.178 0.000 0.990 268 T CA -0.376 61.616 62.100 -0.179 0.000 0.960 268 T CB 1.668 70.462 68.868 -0.122 0.000 0.948 268 T HN 0.327 nan 8.240 nan 0.000 0.438 269 V N 5.332 125.110 119.914 -0.228 0.000 2.350 269 V HA 0.407 4.527 4.120 -0.001 0.000 0.276 269 V C -0.039 175.905 176.094 -0.249 0.000 1.028 269 V CA -0.726 61.344 62.300 -0.384 0.000 0.860 269 V CB 0.780 32.152 31.823 -0.752 0.000 0.990 269 V HN 0.712 nan 8.190 nan 0.000 0.453 270 L N 4.111 125.244 121.223 -0.151 0.000 2.307 270 L HA 0.696 5.036 4.340 -0.001 0.000 0.282 270 L C 1.153 178.044 176.870 0.035 0.000 1.051 270 L CA -0.083 54.732 54.840 -0.041 0.000 0.804 270 L CB 1.381 43.437 42.059 -0.005 0.000 1.197 270 L HN 0.897 nan 8.230 nan 0.000 0.431 271 G N 3.224 112.058 108.800 0.056 0.000 2.171 271 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.238 271 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.238 271 G C -0.324 174.679 174.900 0.172 0.000 1.039 271 G CA -0.530 44.636 45.100 0.109 0.000 0.759 271 G HN 0.415 nan 8.290 nan 0.000 0.501 272 I N 1.989 122.647 120.570 0.148 0.000 2.496 272 I HA 0.401 4.571 4.170 -0.001 0.000 0.285 272 I C 1.325 177.521 176.117 0.131 0.000 1.080 272 I CA 0.274 61.693 61.300 0.199 0.000 1.404 272 I CB 1.423 39.511 38.000 0.147 0.000 1.403 272 I HN 0.416 nan 8.210 nan 0.000 0.539 273 S N 3.229 119.006 115.700 0.128 0.000 2.576 273 S HA 0.116 4.586 4.470 -0.001 0.000 0.276 273 S C -0.069 174.578 174.600 0.077 0.000 1.339 273 S CA -0.761 57.490 58.200 0.084 0.000 1.039 273 S CB 0.817 64.058 63.200 0.068 0.000 0.902 273 S HN 0.614 nan 8.310 nan 0.000 0.516 274 D N 1.833 122.268 120.400 0.058 0.000 2.494 274 D HA 0.310 4.950 4.640 -0.001 0.000 0.217 274 D C -0.212 176.115 176.300 0.045 0.000 1.153 274 D CA -0.387 53.644 54.000 0.051 0.000 0.954 274 D CB -0.336 40.489 40.800 0.041 0.000 1.034 274 D HN 0.708 nan 8.370 nan 0.000 0.518 275 K N 1.289 121.719 120.400 0.051 0.000 2.556 275 K HA 0.624 4.944 4.320 -0.001 0.000 0.274 275 K C -3.024 173.604 176.600 0.048 0.000 0.966 275 K CA -1.941 54.371 56.287 0.042 0.000 0.865 275 K CB 0.676 33.198 32.500 0.037 0.000 1.444 275 K HN -0.143 nan 8.250 nan 0.000 0.433 276 P HA 0.042 nan 4.420 nan 0.000 0.265 276 P C 0.623 177.952 177.300 0.049 0.000 1.187 276 P CA 1.441 64.565 63.100 0.041 0.000 0.766 276 P CB 0.456 32.173 31.700 0.029 0.000 0.820 277 G N 1.780 110.615 108.800 0.059 0.000 2.217 277 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.246 277 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.246 277 G C 1.128 176.084 174.900 0.094 0.000 0.990 277 G CA -0.026 45.114 45.100 0.067 0.000 0.627 277 G HN 0.505 nan 8.290 nan 0.000 0.522 278 E N 0.414 120.678 120.200 0.107 0.000 2.107 278 E HA 0.093 4.442 4.350 -0.001 0.000 0.191 278 E C 2.853 179.561 176.600 0.181 0.000 0.982 278 E CA 1.327 57.819 56.400 0.152 0.000 0.809 278 E CB -0.495 29.297 29.700 0.152 0.000 0.756 278 E HN 0.832 nan 8.360 nan 0.000 0.459 279 A N 1.334 124.254 122.820 0.166 0.000 2.015 279 A HA -0.023 4.297 4.320 -0.001 0.000 0.219 279 A C 2.358 180.108 177.584 0.276 0.000 1.163 279 A CA 1.621 53.800 52.037 0.236 0.000 0.646 279 A CB -0.352 18.801 19.000 0.255 0.000 0.806 279 A HN 0.243 nan 8.150 nan 0.000 0.448 280 A N 0.153 123.083 122.820 0.184 0.000 1.898 280 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 280 A C 2.091 179.757 177.584 0.137 0.000 1.181 280 A CA 1.669 53.798 52.037 0.152 0.000 0.620 280 A CB -0.416 18.642 19.000 0.097 0.000 0.819 280 A HN 0.516 nan 8.150 nan 0.000 0.442 281 K N -0.346 120.136 120.400 0.137 0.000 2.074 281 K HA -0.124 4.196 4.320 -0.001 0.000 0.209 281 K C 1.926 178.626 176.600 0.165 0.000 1.048 281 K CA 1.599 57.972 56.287 0.143 0.000 0.926 281 K CB -0.464 32.135 32.500 0.165 0.000 0.713 281 K HN 0.336 nan 8.250 nan 0.000 0.444 282 V N 0.573 120.563 119.914 0.127 0.000 2.244 282 V HA -0.214 3.906 4.120 -0.001 0.000 0.244 282 V C 1.967 177.880 176.094 -0.302 0.000 1.042 282 V CA 1.800 64.015 62.300 -0.142 0.000 1.006 282 V CB -0.486 31.004 31.823 -0.555 0.000 0.641 282 V HN 0.180 nan 8.190 nan 0.000 0.446 283 F N -0.277 119.650 119.950 -0.039 0.000 2.615 283 F HA 0.052 4.578 4.527 -0.001 0.000 0.297 283 F C 2.419 178.182 175.800 -0.060 0.000 1.124 283 F CA 0.732 58.671 58.000 -0.103 0.000 1.451 283 F CB -0.248 38.687 39.000 -0.109 0.000 1.103 283 F HN 0.013 nan 8.300 nan 0.000 0.569 284 R N 1.567 122.137 120.500 0.115 0.000 2.066 284 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 284 R C 2.208 178.531 176.300 0.039 0.000 1.131 284 R CA 1.721 57.863 56.100 0.070 0.000 0.955 284 R CB -1.133 29.204 30.300 0.063 0.000 0.851 284 R HN 0.148 nan 8.270 nan 0.000 0.432 285 A N 0.736 123.574 122.820 0.031 0.000 1.892 285 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 285 A C 2.354 179.938 177.584 0.000 0.000 1.188 285 A CA 1.860 53.911 52.037 0.023 0.000 0.631 285 A CB -0.770 18.259 19.000 0.048 0.000 0.822 285 A HN 0.368 nan 8.150 nan 0.000 0.447 286 L N -1.061 120.136 121.223 -0.043 0.000 2.056 286 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 286 L C 3.095 179.955 176.870 -0.017 0.000 1.078 286 L CA 1.029 55.829 54.840 -0.067 0.000 0.749 286 L CB -0.568 41.365 42.059 -0.211 0.000 0.901 286 L HN 0.426 nan 8.230 nan 0.000 0.433 287 A N -0.188 122.637 122.820 0.009 0.000 1.933 287 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 287 A C 1.904 179.498 177.584 0.017 0.000 1.175 287 A CA 1.855 53.903 52.037 0.019 0.000 0.628 287 A CB -0.486 18.532 19.000 0.031 0.000 0.814 287 A HN 0.349 nan 8.150 nan 0.000 0.444 288 D N 0.088 120.499 120.400 0.018 0.000 2.178 288 D HA -0.018 4.622 4.640 -0.001 0.000 0.201 288 D C 1.805 178.115 176.300 0.016 0.000 0.980 288 D CA 1.397 55.407 54.000 0.017 0.000 0.842 288 D CB -0.228 40.583 40.800 0.017 0.000 0.948 288 D HN 0.451 nan 8.370 nan 0.000 0.472 289 A N 0.105 122.935 122.820 0.016 0.000 2.275 289 A HA 0.045 4.365 4.320 -0.001 0.000 0.212 289 A C 0.499 178.095 177.584 0.021 0.000 1.201 289 A CA 0.048 52.096 52.037 0.018 0.000 0.843 289 A CB -0.266 18.745 19.000 0.020 0.000 0.873 289 A HN 0.160 nan 8.150 nan 0.000 0.492 290 E N -0.354 119.858 120.200 0.019 0.000 2.389 290 E HA -0.159 4.191 4.350 -0.001 0.000 0.243 290 E C -0.709 175.908 176.600 0.030 0.000 1.154 290 E CA 0.202 56.615 56.400 0.023 0.000 0.723 290 E CB -1.181 28.533 29.700 0.024 0.000 1.261 290 E HN 0.466 nan 8.360 nan 0.000 0.390 291 I N 1.645 122.230 120.570 0.027 0.000 2.363 291 I HA 0.045 4.215 4.170 -0.001 0.000 0.292 291 I C 0.868 177.010 176.117 0.042 0.000 1.075 291 I CA 0.216 61.542 61.300 0.043 0.000 1.333 291 I CB 0.161 38.182 38.000 0.035 0.000 1.415 291 I HN 0.089 nan 8.210 nan 0.000 0.502 292 N N 7.190 125.928 118.700 0.064 0.000 2.427 292 N HA 0.070 4.810 4.740 -0.001 0.000 0.269 292 N C 0.115 175.681 175.510 0.093 0.000 1.235 292 N CA -0.275 52.812 53.050 0.063 0.000 0.934 292 N CB 0.658 39.183 38.487 0.063 0.000 1.121 292 N HN 0.460 nan 8.380 nan 0.000 0.480 293 I N 0.473 121.083 120.570 0.066 0.000 2.342 293 I HA 0.253 4.422 4.170 -0.001 0.000 0.291 293 I C 0.305 176.476 176.117 0.090 0.000 1.010 293 I CA -0.278 61.087 61.300 0.108 0.000 1.308 293 I CB 1.472 39.497 38.000 0.042 0.000 1.400 293 I HN 0.495 nan 8.210 nan 0.000 0.488 294 D N 5.832 126.310 120.400 0.130 0.000 2.259 294 D HA 0.158 4.798 4.640 -0.001 0.000 0.216 294 D C 0.438 176.773 176.300 0.059 0.000 0.961 294 D CA 0.828 54.876 54.000 0.079 0.000 0.878 294 D CB 0.425 41.274 40.800 0.082 0.000 1.009 294 D HN 0.709 nan 8.370 nan 0.000 0.490 295 M N 0.292 119.948 119.600 0.092 0.000 2.414 295 M HA 0.419 4.898 4.480 -0.001 0.000 0.287 295 M C -2.324 174.044 176.300 0.114 0.000 1.181 295 M CA -0.719 54.618 55.300 0.062 0.000 0.933 295 M CB 2.193 34.819 32.600 0.043 0.000 1.732 295 M HN -0.265 nan 8.290 nan 0.000 0.486 296 V N 4.857 124.810 119.914 0.066 0.000 2.588 296 V HA 0.669 4.789 4.120 -0.001 0.000 0.304 296 V C -1.092 175.044 176.094 0.070 0.000 1.042 296 V CA -0.735 61.633 62.300 0.114 0.000 0.877 296 V CB 1.924 33.746 31.823 -0.001 0.000 0.996 296 V HN 0.707 nan 8.190 nan 0.000 0.425 297 L N 4.396 125.678 121.223 0.098 0.000 2.385 297 L HA 0.663 5.003 4.340 -0.001 0.000 0.273 297 L C -0.441 176.468 176.870 0.065 0.000 0.990 297 L CA -0.186 54.687 54.840 0.055 0.000 0.821 297 L CB 1.606 43.684 42.059 0.031 0.000 1.279 297 L HN 0.815 nan 8.230 nan 0.000 0.412 298 Q N 2.763 122.590 119.800 0.046 0.000 2.268 298 Q HA 0.359 4.698 4.340 -0.001 0.000 0.266 298 Q C -1.341 174.674 176.000 0.025 0.000 1.006 298 Q CA -0.442 55.386 55.803 0.043 0.000 0.824 298 Q CB 2.749 31.524 28.738 0.063 0.000 1.306 298 Q HN 0.680 nan 8.270 nan 0.000 0.424 299 N N 0.885 119.596 118.700 0.019 0.000 2.514 299 N HA 0.424 5.164 4.740 -0.001 0.000 0.299 299 N C -0.360 175.159 175.510 0.015 0.000 1.292 299 N CA -0.056 53.002 53.050 0.013 0.000 0.963 299 N CB 1.037 39.529 38.487 0.008 0.000 1.124 299 N HN 0.458 nan 8.380 nan 0.000 0.580 300 V N -1.271 118.651 119.914 0.012 0.000 3.083 300 V HA 0.504 4.623 4.120 -0.001 0.000 0.306 300 V C 0.375 176.479 176.094 0.016 0.000 1.077 300 V CA -0.700 61.608 62.300 0.014 0.000 1.073 300 V CB 0.647 32.476 31.823 0.010 0.000 1.081 300 V HN 0.519 nan 8.190 nan 0.000 0.474 301 S N 1.642 117.353 115.700 0.018 0.000 2.585 301 S HA 0.261 4.731 4.470 -0.001 0.000 0.273 301 S C 0.384 174.994 174.600 0.017 0.000 1.339 301 S CA 0.008 58.221 58.200 0.020 0.000 1.028 301 S CB 1.088 64.302 63.200 0.023 0.000 0.906 301 S HN 1.222 nan 8.310 nan 0.000 0.528 302 S N 0.741 116.452 115.700 0.018 0.000 2.537 302 S HA 0.186 4.655 4.470 -0.001 0.000 0.286 302 S C 1.252 175.861 174.600 0.016 0.000 1.299 302 S CA -0.194 58.016 58.200 0.016 0.000 1.067 302 S CB -0.032 63.179 63.200 0.017 0.000 0.864 302 S HN 0.687 nan 8.310 nan 0.000 0.494 303 V N 4.236 124.158 119.914 0.013 0.000 2.427 303 V HA -0.010 4.110 4.120 -0.001 0.000 0.248 303 V C 2.543 178.644 176.094 0.012 0.000 1.051 303 V CA 2.668 64.975 62.300 0.012 0.000 1.048 303 V CB -1.975 29.854 31.823 0.010 0.000 0.666 303 V HN 1.026 nan 8.190 nan 0.000 0.456 304 E N 0.021 120.228 120.200 0.012 0.000 2.017 304 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 304 E C 1.308 177.917 176.600 0.014 0.000 0.997 304 E CA 1.291 57.698 56.400 0.012 0.000 0.804 304 E CB -0.244 29.463 29.700 0.012 0.000 0.757 304 E HN 0.766 nan 8.360 nan 0.000 0.448 305 D N -0.947 119.463 120.400 0.017 0.000 2.481 305 D HA 0.382 5.022 4.640 -0.001 0.000 0.246 305 D C -0.096 176.218 176.300 0.023 0.000 1.109 305 D CA -0.226 53.786 54.000 0.020 0.000 0.845 305 D CB 1.199 42.013 40.800 0.022 0.000 1.160 305 D HN 0.193 nan 8.370 nan 0.000 0.534 306 G N 3.240 112.054 108.800 0.024 0.000 2.843 306 G HA2 0.298 4.258 3.960 -0.001 0.000 0.275 306 G HA3 0.298 4.258 3.960 -0.001 0.000 0.275 306 G C 0.272 175.193 174.900 0.035 0.000 0.709 306 G CA 0.165 45.281 45.100 0.027 0.000 2.089 306 G HN 0.475 nan 8.290 nan 0.000 0.571 307 T N -2.256 112.320 114.554 0.036 0.000 2.903 307 T HA 0.760 5.110 4.350 -0.001 0.000 0.299 307 T C -0.463 174.260 174.700 0.038 0.000 1.093 307 T CA -0.705 61.423 62.100 0.046 0.000 1.002 307 T CB 2.783 71.683 68.868 0.053 0.000 1.127 307 T HN 0.189 nan 8.240 nan 0.000 0.488 308 T N -0.109 114.470 114.554 0.041 0.000 2.716 308 T HA 0.596 4.946 4.350 -0.001 0.000 0.286 308 T C -1.839 172.873 174.700 0.020 0.000 1.052 308 T CA -0.648 61.469 62.100 0.029 0.000 1.024 308 T CB 1.650 70.536 68.868 0.030 0.000 1.349 308 T HN 0.735 nan 8.240 nan 0.000 0.525 309 D N 1.261 121.666 120.400 0.008 0.000 2.481 309 D HA 0.509 5.149 4.640 -0.001 0.000 0.244 309 D C -0.716 175.581 176.300 -0.006 0.000 1.057 309 D CA -0.204 53.787 54.000 -0.015 0.000 0.848 309 D CB 1.837 42.625 40.800 -0.020 0.000 1.388 309 D HN 0.452 nan 8.370 nan 0.000 0.475 310 I N 1.222 121.774 120.570 -0.030 0.000 2.362 310 I HA 0.219 4.389 4.170 -0.001 0.000 0.289 310 I C -0.026 176.106 176.117 0.024 0.000 0.994 310 I CA -0.294 61.023 61.300 0.029 0.000 1.158 310 I CB 1.796 39.822 38.000 0.042 0.000 1.315 310 I HN 0.024 nan 8.210 nan 0.000 0.451 311 T N 6.599 121.193 114.554 0.068 0.000 2.823 311 T HA 0.635 4.985 4.350 -0.001 0.000 0.279 311 T C -0.595 174.206 174.700 0.169 0.000 0.998 311 T CA -0.405 61.709 62.100 0.022 0.000 0.994 311 T CB 1.018 69.866 68.868 -0.034 0.000 0.960 311 T HN 0.384 nan 8.240 nan 0.000 0.448 312 F N -0.074 119.906 119.950 0.050 0.000 2.593 312 F HA 0.858 5.385 4.527 0.000 0.000 0.320 312 F C -0.030 175.801 175.800 0.051 0.000 1.060 312 F CA -1.167 56.892 58.000 0.098 0.000 0.940 312 F CB 1.094 40.225 39.000 0.219 0.000 1.268 312 F HN 0.512 nan 8.300 nan 0.000 0.475 313 T N -0.252 114.417 114.554 0.192 0.000 2.888 313 T HA 0.729 5.079 4.350 -0.001 0.000 0.284 313 T C -0.543 174.309 174.700 0.253 0.000 1.017 313 T CA -0.607 61.539 62.100 0.078 0.000 1.022 313 T CB 1.047 69.939 68.868 0.040 0.000 1.013 313 T HN 1.412 nan 8.240 nan 0.000 0.465 314 C N 0.231 119.639 119.300 0.180 0.000 3.241 314 C HA 0.863 5.323 4.460 -0.001 0.000 0.312 314 C C -3.074 171.995 174.990 0.132 0.000 1.350 314 C CA -2.436 56.717 59.018 0.224 0.000 1.415 314 C CB 0.953 28.910 27.740 0.363 0.000 1.770 314 C HN 0.663 nan 8.230 nan 0.000 0.466 315 P HA 0.222 nan 4.420 nan 0.000 0.267 315 P C 0.493 177.854 177.300 0.103 0.000 1.200 315 P CA 0.234 63.387 63.100 0.088 0.000 0.772 315 P CB 0.414 32.161 31.700 0.078 0.000 0.855 316 R N 0.978 121.529 120.500 0.085 0.000 2.189 316 R HA -0.071 4.268 4.340 -0.001 0.000 0.223 316 R C 2.005 178.375 176.300 0.117 0.000 1.092 316 R CA 1.291 57.457 56.100 0.111 0.000 0.989 316 R CB -0.486 29.861 30.300 0.078 0.000 0.876 316 R HN 0.495 nan 8.270 nan 0.000 0.457 317 S N 1.052 116.803 115.700 0.086 0.000 2.368 317 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 317 S C 1.100 175.745 174.600 0.075 0.000 1.030 317 S CA 1.356 59.598 58.200 0.070 0.000 0.999 317 S CB -0.114 63.120 63.200 0.056 0.000 0.844 317 S HN 0.318 nan 8.310 nan 0.000 0.459 318 D N 0.904 121.362 120.400 0.096 0.000 2.347 318 D HA 0.112 4.751 4.640 -0.001 0.000 0.213 318 D C 1.970 178.346 176.300 0.126 0.000 0.985 318 D CA 0.520 54.581 54.000 0.103 0.000 0.879 318 D CB -0.612 40.260 40.800 0.120 0.000 0.919 318 D HN 0.433 nan 8.370 nan 0.000 0.526 319 G N 1.440 110.337 108.800 0.162 0.000 2.491 319 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.218 319 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.218 319 G C 1.629 176.481 174.900 -0.080 0.000 1.180 319 G CA 0.828 46.054 45.100 0.210 0.000 0.774 319 G HN 0.257 nan 8.290 nan 0.000 0.562 320 R N 0.277 120.704 120.500 -0.121 0.000 2.097 320 R HA -0.121 4.218 4.340 -0.001 0.000 0.236 320 R C 2.626 178.873 176.300 -0.088 0.000 1.135 320 R CA 1.967 57.965 56.100 -0.169 0.000 0.934 320 R CB -0.387 29.858 30.300 -0.091 0.000 0.846 320 R HN 0.356 nan 8.270 nan 0.000 0.431 321 R N -0.113 120.375 120.500 -0.020 0.000 2.081 321 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 321 R C 2.206 178.525 176.300 0.030 0.000 1.131 321 R CA 1.633 57.737 56.100 0.007 0.000 0.960 321 R CB -0.401 29.913 30.300 0.024 0.000 0.856 321 R HN 0.384 nan 8.270 nan 0.000 0.436 322 A N 0.464 123.327 122.820 0.070 0.000 1.908 322 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 322 A C 2.119 179.774 177.584 0.119 0.000 1.181 322 A CA 1.815 53.937 52.037 0.142 0.000 0.627 322 A CB -0.482 18.698 19.000 0.299 0.000 0.818 322 A HN 0.455 nan 8.150 nan 0.000 0.445 323 M N -0.477 119.142 119.600 0.030 0.000 2.200 323 M HA -0.048 4.431 4.480 -0.001 0.000 0.265 323 M C 1.798 178.101 176.300 0.006 0.000 1.066 323 M CA 1.641 56.935 55.300 -0.010 0.000 1.127 323 M CB -0.271 32.227 32.600 -0.169 0.000 1.379 323 M HN 0.536 nan 8.290 nan 0.000 0.420 324 E N -0.289 119.906 120.200 -0.009 0.000 2.051 324 E HA -0.202 4.148 4.350 -0.001 0.000 0.192 324 E C 1.832 178.453 176.600 0.035 0.000 0.991 324 E CA 1.596 57.999 56.400 0.005 0.000 0.799 324 E CB -0.269 29.427 29.700 -0.007 0.000 0.748 324 E HN 0.413 nan 8.360 nan 0.000 0.449 325 I N 0.908 121.507 120.570 0.047 0.000 2.127 325 I HA -0.282 3.888 4.170 -0.001 0.000 0.241 325 I C 2.248 178.432 176.117 0.111 0.000 1.075 325 I CA 1.321 62.658 61.300 0.063 0.000 1.334 325 I CB -0.250 37.783 38.000 0.055 0.000 1.040 325 I HN 0.085 nan 8.210 nan 0.000 0.405 326 L N -0.273 121.035 121.223 0.141 0.000 2.141 326 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 326 L C 2.434 179.482 176.870 0.296 0.000 1.094 326 L CA 0.980 55.968 54.840 0.246 0.000 0.763 326 L CB -0.555 41.599 42.059 0.158 0.000 0.908 326 L HN 0.170 nan 8.230 nan 0.000 0.437 327 K N 0.302 120.803 120.400 0.168 0.000 2.155 327 K HA -0.151 4.169 4.320 -0.001 0.000 0.203 327 K C 2.059 178.719 176.600 0.100 0.000 1.052 327 K CA 0.944 57.314 56.287 0.140 0.000 0.948 327 K CB 0.032 32.575 32.500 0.072 0.000 0.728 327 K HN 0.180 nan 8.250 nan 0.000 0.448 328 K N 0.599 121.044 120.400 0.074 0.000 2.057 328 K HA -0.041 4.279 4.320 -0.001 0.000 0.207 328 K C 1.876 178.470 176.600 -0.009 0.000 1.049 328 K CA 0.784 57.087 56.287 0.027 0.000 0.931 328 K CB 0.096 32.609 32.500 0.022 0.000 0.714 328 K HN -0.039 nan 8.250 nan 0.000 0.440 329 L N 0.943 122.175 121.223 0.016 0.000 2.291 329 L HA -0.083 4.256 4.340 -0.001 0.000 0.214 329 L C 2.333 178.963 176.870 -0.400 0.000 1.120 329 L CA 1.438 56.175 54.840 -0.172 0.000 0.799 329 L CB -0.912 41.082 42.059 -0.108 0.000 0.925 329 L HN 0.434 nan 8.230 nan 0.000 0.446 330 Q N 0.388 120.146 119.800 -0.070 0.000 2.083 330 Q HA -0.134 4.205 4.340 -0.001 0.000 0.198 330 Q C 2.079 178.013 176.000 -0.110 0.000 0.969 330 Q CA 1.805 57.566 55.803 -0.069 0.000 0.838 330 Q CB 0.197 29.099 28.738 0.274 0.000 0.900 330 Q HN 0.466 nan 8.270 nan 0.000 0.436 331 V N -0.988 118.889 119.914 -0.061 0.000 3.186 331 V HA -0.090 4.030 4.120 -0.001 0.000 0.270 331 V C 0.307 176.345 176.094 -0.094 0.000 1.149 331 V CA 0.662 62.929 62.300 -0.054 0.000 1.160 331 V CB -0.604 31.201 31.823 -0.029 0.000 0.758 331 V HN 0.201 nan 8.190 nan 0.000 0.516 332 Q N 0.171 119.872 119.800 -0.164 0.000 2.282 332 Q HA 0.577 4.916 4.340 -0.001 0.000 0.260 332 Q C 1.479 177.337 176.000 -0.235 0.000 0.964 332 Q CA -0.146 55.548 55.803 -0.182 0.000 0.880 332 Q CB 1.646 30.262 28.738 -0.202 0.000 1.286 332 Q HN 0.295 nan 8.270 nan 0.000 0.445 333 G N 3.033 111.736 108.800 -0.162 0.000 2.661 333 G HA2 -0.420 3.540 3.960 -0.001 0.000 0.224 333 G HA3 -0.420 3.540 3.960 -0.001 0.000 0.224 333 G C 1.022 175.814 174.900 -0.181 0.000 1.114 333 G CA 1.337 46.358 45.100 -0.133 0.000 0.751 333 G HN 0.783 nan 8.290 nan 0.000 0.609 334 N N 0.276 118.794 118.700 -0.302 0.000 1.876 334 N HA -0.210 4.529 4.740 -0.001 0.000 0.139 334 N C 0.777 176.200 175.510 -0.146 0.000 0.592 334 N CA 2.249 55.052 53.050 -0.411 0.000 0.827 334 N CB -0.629 37.223 38.487 -1.059 0.000 0.828 334 N HN 0.790 nan 8.380 nan 0.000 1.260 335 W N -2.842 118.458 121.300 -0.000 0.000 3.075 335 W HA 0.476 5.136 4.660 -0.001 0.000 0.334 335 W C 0.908 177.428 176.519 0.003 0.000 1.243 335 W CA -0.119 57.228 57.345 0.002 0.000 1.170 335 W CB -0.134 29.327 29.460 0.002 0.000 1.452 335 W HN -0.050 nan 8.180 nan 0.000 0.572 336 T N -2.555 112.194 114.554 0.325 0.000 3.035 336 T HA 0.226 4.576 4.350 -0.001 0.000 0.259 336 T C 0.157 174.963 174.700 0.176 0.000 1.078 336 T CA 0.964 63.174 62.100 0.183 0.000 1.132 336 T CB -0.112 68.824 68.868 0.114 0.000 0.900 336 T HN 0.558 nan 8.240 nan 0.000 0.480 337 N N -0.897 117.922 118.700 0.198 0.000 3.043 337 N HA 0.434 5.173 4.740 -0.001 0.000 0.243 337 N C -2.412 173.137 175.510 0.065 0.000 1.347 337 N CA -0.659 52.467 53.050 0.128 0.000 0.896 337 N CB 2.411 40.938 38.487 0.067 0.000 1.501 337 N HN -0.034 nan 8.380 nan 0.000 0.504 338 V N 2.822 122.768 119.914 0.054 0.000 2.482 338 V HA 0.457 4.577 4.120 -0.001 0.000 0.295 338 V C -0.156 175.945 176.094 0.012 0.000 1.026 338 V CA -0.618 61.678 62.300 -0.007 0.000 0.856 338 V CB 1.345 33.187 31.823 0.031 0.000 1.001 338 V HN 0.465 nan 8.190 nan 0.000 0.424 339 L N 4.122 125.337 121.223 -0.015 0.000 2.375 339 L HA 0.641 4.981 4.340 -0.001 0.000 0.268 339 L C -0.999 175.905 176.870 0.057 0.000 1.058 339 L CA -0.816 54.031 54.840 0.012 0.000 0.803 339 L CB 1.420 43.465 42.059 -0.024 0.000 1.212 339 L HN 0.603 nan 8.230 nan 0.000 0.451 340 Y N 0.959 121.214 120.300 -0.075 0.000 2.421 340 Y HA 0.422 4.972 4.550 -0.001 0.000 0.339 340 Y C -1.349 174.510 175.900 -0.068 0.000 0.996 340 Y CA -1.112 56.938 58.100 -0.083 0.000 1.046 340 Y CB 1.817 40.244 38.460 -0.055 0.000 1.226 340 Y HN 0.521 nan 8.280 nan 0.000 0.445 341 D N 4.042 124.014 120.400 -0.713 0.000 2.479 341 D HA 0.195 4.835 4.640 -0.001 0.000 0.246 341 D C -0.990 174.917 176.300 -0.655 0.000 1.336 341 D CA -0.516 53.178 54.000 -0.511 0.000 0.967 341 D CB 0.899 41.533 40.800 -0.277 0.000 1.275 341 D HN 0.642 nan 8.370 nan 0.000 0.577 342 D N 2.044 122.122 120.400 -0.537 0.000 2.463 342 D HA 0.035 4.675 4.640 -0.001 0.000 0.224 342 D C 0.040 176.253 176.300 -0.145 0.000 1.174 342 D CA 0.011 53.816 54.000 -0.326 0.000 0.829 342 D CB 0.138 40.854 40.800 -0.141 0.000 0.993 342 D HN 0.398 nan 8.370 nan 0.000 0.497 343 Q N 0.484 120.201 119.800 -0.138 0.000 2.217 343 Q HA 0.264 4.603 4.340 -0.001 0.000 0.340 343 Q C -0.798 175.157 176.000 -0.074 0.000 0.893 343 Q CA -0.299 55.457 55.803 -0.079 0.000 1.142 343 Q CB 2.086 30.790 28.738 -0.057 0.000 1.288 343 Q HN 0.142 nan 8.270 nan 0.000 0.426 344 V N -0.189 119.673 119.914 -0.087 0.000 2.581 344 V HA 0.877 4.997 4.120 -0.001 0.000 0.303 344 V C -0.319 175.749 176.094 -0.043 0.000 1.041 344 V CA -0.360 61.898 62.300 -0.069 0.000 0.907 344 V CB 1.670 33.438 31.823 -0.092 0.000 0.994 344 V HN 0.365 nan 8.190 nan 0.000 0.442 345 G N 4.218 113.003 108.800 -0.024 0.000 2.453 345 G HA2 0.605 4.565 3.960 -0.001 0.000 0.323 345 G HA3 0.605 4.565 3.960 -0.001 0.000 0.323 345 G C -1.347 173.557 174.900 0.007 0.000 1.198 345 G CA -0.836 44.259 45.100 -0.007 0.000 0.959 345 G HN 0.894 nan 8.290 nan 0.000 0.482 346 K N 0.652 121.063 120.400 0.018 0.000 2.323 346 K HA 0.639 4.959 4.320 -0.001 0.000 0.259 346 K C -0.983 175.651 176.600 0.057 0.000 0.947 346 K CA -0.564 55.745 56.287 0.037 0.000 0.819 346 K CB 1.843 34.361 32.500 0.029 0.000 1.109 346 K HN 0.281 nan 8.250 nan 0.000 0.429 347 V N 2.111 122.081 119.914 0.094 0.000 2.604 347 V HA 0.569 4.688 4.120 -0.001 0.000 0.305 347 V C -0.647 175.570 176.094 0.205 0.000 1.043 347 V CA -0.861 61.516 62.300 0.128 0.000 0.888 347 V CB 1.693 33.587 31.823 0.120 0.000 0.995 347 V HN 0.848 nan 8.190 nan 0.000 0.429 348 S N 3.421 119.235 115.700 0.190 0.000 2.569 348 S HA 0.814 5.283 4.470 -0.001 0.000 0.280 348 S C -1.197 173.539 174.600 0.227 0.000 1.111 348 S CA -0.549 57.766 58.200 0.192 0.000 0.887 348 S CB 2.130 65.376 63.200 0.077 0.000 1.095 348 S HN 0.687 nan 8.310 nan 0.000 0.476 349 L N 2.514 123.866 121.223 0.215 0.000 2.341 349 L HA 0.806 5.146 4.340 -0.001 0.000 0.278 349 L C -1.430 175.428 176.870 -0.020 0.000 1.005 349 L CA -0.395 54.517 54.840 0.119 0.000 0.818 349 L CB 1.477 43.645 42.059 0.181 0.000 1.259 349 L HN 0.491 nan 8.230 nan 0.000 0.418 350 V N 3.731 123.622 119.914 -0.038 0.000 2.604 350 V HA 0.993 5.112 4.120 -0.001 0.000 0.305 350 V C 0.129 176.173 176.094 -0.083 0.000 1.043 350 V CA -0.147 62.119 62.300 -0.056 0.000 0.888 350 V CB 1.570 33.378 31.823 -0.025 0.000 0.995 350 V HN 0.991 nan 8.190 nan 0.000 0.429 351 G N 1.876 110.624 108.800 -0.087 0.000 2.405 351 G HA2 0.548 4.508 3.960 -0.001 0.000 0.312 351 G HA3 0.548 4.508 3.960 -0.001 0.000 0.312 351 G C 0.195 175.055 174.900 -0.066 0.000 1.579 351 G CA 0.187 45.232 45.100 -0.091 0.000 0.933 351 G HN 0.983 nan 8.290 nan 0.000 0.628 352 A N 0.954 123.747 122.820 -0.046 0.000 2.019 352 A HA 0.210 4.529 4.320 -0.001 0.000 0.219 352 A C 2.545 180.131 177.584 0.003 0.000 1.164 352 A CA 2.693 54.718 52.037 -0.021 0.000 0.644 352 A CB -0.453 18.538 19.000 -0.016 0.000 0.805 352 A HN 1.742 nan 8.150 nan 0.000 0.449 353 G N 0.099 108.889 108.800 -0.016 0.000 2.559 353 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.216 353 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.216 353 G C 1.485 176.434 174.900 0.082 0.000 1.126 353 G CA 1.044 46.150 45.100 0.010 0.000 0.778 353 G HN 0.748 nan 8.290 nan 0.000 0.543 354 M N -0.260 119.347 119.600 0.013 0.000 2.447 354 M HA 0.311 4.791 4.480 -0.001 0.000 0.264 354 M C 2.189 178.521 176.300 0.053 0.000 1.095 354 M CA 1.348 56.663 55.300 0.025 0.000 1.125 354 M CB -0.134 32.431 32.600 -0.057 0.000 1.389 354 M HN 0.076 nan 8.290 nan 0.000 0.459 355 K N 1.309 121.733 120.400 0.040 0.000 2.034 355 K HA -0.123 4.196 4.320 -0.001 0.000 0.214 355 K C 0.845 177.451 176.600 0.010 0.000 1.051 355 K CA 2.167 58.464 56.287 0.016 0.000 0.931 355 K CB -0.070 32.435 32.500 0.008 0.000 0.715 355 K HN 0.469 nan 8.250 nan 0.000 0.446 356 S N -0.514 115.196 115.700 0.017 0.000 2.602 356 S HA 0.129 4.598 4.470 -0.001 0.000 0.240 356 S C -1.030 173.420 174.600 -0.250 0.000 0.992 356 S CA -0.463 57.674 58.200 -0.105 0.000 0.971 356 S CB 0.352 63.461 63.200 -0.153 0.000 0.855 356 S HN 0.311 nan 8.310 nan 0.000 0.481 357 H N 2.477 121.544 119.070 -0.006 0.000 2.762 357 H HA 0.389 4.945 4.556 -0.001 0.000 0.310 357 H C -2.616 172.719 175.328 0.012 0.000 1.004 357 H CA -1.568 54.483 56.048 0.005 0.000 1.267 357 H CB 0.886 30.654 29.762 0.010 0.000 1.437 357 H HN 0.129 nan 8.280 nan 0.000 0.498 358 P HA 0.182 nan 4.420 nan 0.000 0.272 358 P C 1.035 178.393 177.300 0.096 0.000 1.230 358 P CA 0.353 63.494 63.100 0.069 0.000 0.788 358 P CB 1.259 32.981 31.700 0.036 0.000 0.949 359 G N -0.238 108.615 108.800 0.088 0.000 2.279 359 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.223 359 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.223 359 G C 0.975 175.964 174.900 0.149 0.000 1.015 359 G CA 0.167 45.329 45.100 0.102 0.000 0.621 359 G HN 0.383 nan 8.290 nan 0.000 0.506 360 V N 1.705 121.717 119.914 0.163 0.000 2.332 360 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 360 V C 3.010 179.264 176.094 0.265 0.000 1.055 360 V CA 3.266 65.704 62.300 0.230 0.000 1.038 360 V CB -1.122 30.756 31.823 0.092 0.000 0.651 360 V HN 0.596 nan 8.190 nan 0.000 0.450 361 T N 0.424 115.065 114.554 0.145 0.000 2.746 361 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 361 T C 2.063 176.881 174.700 0.198 0.000 1.039 361 T CA 1.610 63.783 62.100 0.122 0.000 1.142 361 T CB -0.480 68.406 68.868 0.031 0.000 0.866 361 T HN 0.584 nan 8.240 nan 0.000 0.444 362 A N 1.717 124.630 122.820 0.155 0.000 1.877 362 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 362 A C 2.241 179.914 177.584 0.148 0.000 1.186 362 A CA 1.643 53.758 52.037 0.129 0.000 0.620 362 A CB -0.605 18.447 19.000 0.086 0.000 0.822 362 A HN 0.571 nan 8.150 nan 0.000 0.443 363 E N -1.379 118.927 120.200 0.178 0.000 2.085 363 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 363 E C 1.743 178.421 176.600 0.131 0.000 0.994 363 E CA 1.298 57.754 56.400 0.093 0.000 0.801 363 E CB -0.296 29.451 29.700 0.077 0.000 0.743 363 E HN 0.696 nan 8.360 nan 0.000 0.453 364 F N 1.122 121.233 119.950 0.268 0.000 2.046 364 F HA -0.295 4.231 4.527 -0.000 0.000 0.297 364 F C 2.222 178.086 175.800 0.107 0.000 1.123 364 F CA 1.458 59.620 58.000 0.269 0.000 1.199 364 F CB 0.016 39.163 39.000 0.246 0.000 0.972 364 F HN -0.019 nan 8.300 nan 0.000 0.474 365 M N 0.128 119.958 119.600 0.383 0.000 2.175 365 M HA -0.170 4.309 4.480 -0.001 0.000 0.264 365 M C 1.998 178.344 176.300 0.076 0.000 1.063 365 M CA 1.478 56.916 55.300 0.230 0.000 1.119 365 M CB -1.532 31.179 32.600 0.186 0.000 1.377 365 M HN 0.265 nan 8.290 nan 0.000 0.415 366 E N 0.484 120.712 120.200 0.047 0.000 2.110 366 E HA -0.101 4.249 4.350 -0.001 0.000 0.193 366 E C 2.145 178.708 176.600 -0.062 0.000 0.988 366 E CA 1.223 57.617 56.400 -0.010 0.000 0.804 366 E CB -0.147 29.542 29.700 -0.018 0.000 0.745 366 E HN 0.518 nan 8.360 nan 0.000 0.458 367 A N 1.011 123.763 122.820 -0.114 0.000 1.902 367 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 367 A C 2.140 179.641 177.584 -0.139 0.000 1.181 367 A CA 1.120 53.055 52.037 -0.170 0.000 0.623 367 A CB -0.520 18.317 19.000 -0.270 0.000 0.818 367 A HN 0.143 nan 8.150 nan 0.000 0.443 368 L N -1.364 119.777 121.223 -0.136 0.000 2.179 368 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 368 L C 2.703 179.543 176.870 -0.050 0.000 1.096 368 L CA 1.155 55.936 54.840 -0.099 0.000 0.779 368 L CB -0.506 41.499 42.059 -0.091 0.000 0.922 368 L HN 0.464 nan 8.230 nan 0.000 0.443 369 R N 0.815 121.295 120.500 -0.034 0.000 2.080 369 R HA -0.198 4.142 4.340 -0.001 0.000 0.236 369 R C 1.492 177.775 176.300 -0.029 0.000 1.137 369 R CA 2.133 58.221 56.100 -0.020 0.000 0.943 369 R CB -0.172 30.122 30.300 -0.010 0.000 0.846 369 R HN 0.275 nan 8.270 nan 0.000 0.431 370 D N 0.063 120.438 120.400 -0.042 0.000 2.378 370 D HA -0.079 4.561 4.640 -0.001 0.000 0.222 370 D C 1.308 177.583 176.300 -0.041 0.000 0.980 370 D CA 0.961 54.936 54.000 -0.042 0.000 0.907 370 D CB 0.407 41.176 40.800 -0.053 0.000 0.899 370 D HN 0.331 nan 8.370 nan 0.000 0.527 371 V N -2.855 117.032 119.914 -0.044 0.000 3.319 371 V HA 0.268 4.387 4.120 -0.001 0.000 0.317 371 V C 0.655 176.731 176.094 -0.030 0.000 1.411 371 V CA -0.287 61.990 62.300 -0.038 0.000 1.112 371 V CB -0.532 31.264 31.823 -0.045 0.000 1.031 371 V HN 0.181 nan 8.190 nan 0.000 0.448 372 N N -0.235 118.450 118.700 -0.026 0.000 2.782 372 N HA -0.158 4.581 4.740 -0.001 0.000 0.251 372 N C -0.248 175.253 175.510 -0.015 0.000 1.101 372 N CA 0.611 53.650 53.050 -0.018 0.000 0.764 372 N CB -0.669 37.809 38.487 -0.016 0.000 1.122 372 N HN 0.481 nan 8.380 nan 0.000 0.561 373 V N 1.718 121.621 119.914 -0.018 0.000 2.461 373 V HA 0.183 4.302 4.120 -0.001 0.000 0.275 373 V C 0.746 176.839 176.094 -0.001 0.000 1.047 373 V CA -0.462 61.830 62.300 -0.013 0.000 0.955 373 V CB 1.380 33.191 31.823 -0.020 0.000 0.988 373 V HN 0.212 nan 8.190 nan 0.000 0.471 374 N N 4.376 123.078 118.700 0.003 0.000 2.488 374 N HA 0.320 5.059 4.740 -0.001 0.000 0.274 374 N C -0.708 174.815 175.510 0.023 0.000 1.111 374 N CA -0.558 52.499 53.050 0.011 0.000 0.974 374 N CB 0.822 39.312 38.487 0.005 0.000 1.089 374 N HN 0.574 nan 8.380 nan 0.000 0.465 375 I N 3.461 124.053 120.570 0.036 0.000 2.291 375 I HA 0.059 4.229 4.170 -0.001 0.000 0.292 375 I C 1.085 177.222 176.117 0.033 0.000 1.064 375 I CA -0.124 61.209 61.300 0.054 0.000 1.269 375 I CB 0.922 38.974 38.000 0.086 0.000 1.418 375 I HN 0.601 nan 8.210 nan 0.000 0.485 376 E N 5.270 125.483 120.200 0.022 0.000 2.170 376 E HA 0.146 4.496 4.350 -0.001 0.000 0.191 376 E C 0.007 176.610 176.600 0.004 0.000 0.981 376 E CA 0.668 57.071 56.400 0.006 0.000 0.830 376 E CB 0.669 30.364 29.700 -0.008 0.000 0.775 376 E HN 0.480 nan 8.360 nan 0.000 0.470 377 L N 0.280 121.510 121.223 0.012 0.000 2.556 377 L HA 0.474 4.814 4.340 -0.001 0.000 0.257 377 L C -1.903 174.973 176.870 0.011 0.000 0.955 377 L CA -0.602 54.240 54.840 0.005 0.000 0.850 377 L CB 1.945 44.000 42.059 -0.007 0.000 1.398 377 L HN -0.127 nan 8.230 nan 0.000 0.412 378 I N 2.136 122.704 120.570 -0.003 0.000 2.656 378 I HA 0.583 4.753 4.170 -0.001 0.000 0.292 378 I C -0.852 175.244 176.117 -0.035 0.000 1.144 378 I CA -0.416 60.870 61.300 -0.022 0.000 1.038 378 I CB 2.238 40.220 38.000 -0.030 0.000 1.244 378 I HN 0.500 nan 8.210 nan 0.000 0.420 379 S N 2.848 118.515 115.700 -0.055 0.000 2.588 379 S HA 0.880 5.350 4.470 -0.001 0.000 0.275 379 S C -0.796 173.754 174.600 -0.084 0.000 1.130 379 S CA -0.288 57.880 58.200 -0.054 0.000 0.855 379 S CB 2.046 65.226 63.200 -0.033 0.000 1.116 379 S HN 0.811 nan 8.310 nan 0.000 0.472 380 T N -0.324 114.186 114.554 -0.074 0.000 2.841 380 T HA 0.846 5.196 4.350 -0.001 0.000 0.296 380 T C -0.320 174.341 174.700 -0.065 0.000 1.166 380 T CA -0.319 61.729 62.100 -0.087 0.000 1.007 380 T CB 1.179 69.991 68.868 -0.094 0.000 1.253 380 T HN 1.072 nan 8.240 nan 0.000 0.511 381 S N -0.594 115.067 115.700 -0.065 0.000 2.851 381 S HA 0.488 4.958 4.470 -0.001 0.000 0.317 381 S C 0.994 175.562 174.600 -0.052 0.000 1.144 381 S CA -0.455 57.714 58.200 -0.052 0.000 0.862 381 S CB 1.336 64.509 63.200 -0.045 0.000 1.259 381 S HN 0.960 nan 8.310 nan 0.000 0.564 382 E N 0.055 120.230 120.200 -0.042 0.000 2.118 382 E HA -0.131 4.218 4.350 -0.001 0.000 0.195 382 E C 1.243 177.818 176.600 -0.041 0.000 0.992 382 E CA 1.798 58.175 56.400 -0.037 0.000 0.804 382 E CB -0.290 29.393 29.700 -0.029 0.000 0.741 382 E HN 0.693 nan 8.360 nan 0.000 0.458 383 I N -2.546 117.998 120.570 -0.044 0.000 3.833 383 I HA 0.396 4.566 4.170 -0.001 0.000 0.328 383 I C -0.127 175.951 176.117 -0.066 0.000 1.554 383 I CA -0.634 60.637 61.300 -0.048 0.000 1.116 383 I CB 0.683 38.662 38.000 -0.034 0.000 1.182 383 I HN -0.162 nan 8.210 nan 0.000 0.459 384 R N 1.911 122.363 120.500 -0.080 0.000 2.626 384 R HA 0.634 4.974 4.340 -0.001 0.000 0.274 384 R C -2.152 174.061 176.300 -0.144 0.000 1.031 384 R CA -0.569 55.474 56.100 -0.095 0.000 0.898 384 R CB 2.873 33.135 30.300 -0.064 0.000 1.222 384 R HN 0.312 nan 8.270 nan 0.000 0.455 385 I N 2.016 122.459 120.570 -0.211 0.000 2.436 385 I HA 0.321 4.491 4.170 -0.001 0.000 0.289 385 I C -0.386 175.545 176.117 -0.310 0.000 1.010 385 I CA -0.562 60.516 61.300 -0.371 0.000 1.098 385 I CB 2.331 39.875 38.000 -0.760 0.000 1.266 385 I HN 0.417 nan 8.210 nan 0.000 0.434 386 S N 5.076 120.647 115.700 -0.214 0.000 2.521 386 S HA 0.739 5.209 4.470 -0.001 0.000 0.295 386 S C -0.588 173.989 174.600 -0.039 0.000 1.098 386 S CA -0.714 57.445 58.200 -0.068 0.000 0.999 386 S CB 2.289 65.472 63.200 -0.028 0.000 1.034 386 S HN 0.458 nan 8.310 nan 0.000 0.483 387 V N 1.097 121.062 119.914 0.085 0.000 2.789 387 V HA 0.670 4.790 4.120 -0.001 0.000 0.311 387 V C -0.940 175.203 176.094 0.082 0.000 1.073 387 V CA -1.024 61.337 62.300 0.101 0.000 0.921 387 V CB 1.294 33.247 31.823 0.216 0.000 1.009 387 V HN 0.772 nan 8.190 nan 0.000 0.426 388 L N 5.464 126.713 121.223 0.044 0.000 2.292 388 L HA 0.724 5.063 4.340 -0.001 0.000 0.284 388 L C -0.005 176.878 176.870 0.022 0.000 1.065 388 L CA -0.406 54.447 54.840 0.022 0.000 0.806 388 L CB 1.328 43.383 42.059 -0.006 0.000 1.175 388 L HN 0.862 nan 8.230 nan 0.000 0.431 389 I N -0.839 119.739 120.570 0.013 0.000 3.467 389 I HA 0.555 4.725 4.170 -0.001 0.000 0.314 389 I C -0.607 175.504 176.117 -0.010 0.000 1.177 389 I CA -1.391 59.914 61.300 0.007 0.000 0.943 389 I CB 1.696 39.707 38.000 0.019 0.000 1.338 389 I HN 0.361 nan 8.210 nan 0.000 0.482 390 R N 2.017 122.510 120.500 -0.012 0.000 2.522 390 R HA 0.051 4.391 4.340 -0.001 0.000 0.284 390 R C 0.984 177.274 176.300 -0.016 0.000 1.032 390 R CA 0.349 56.437 56.100 -0.019 0.000 1.049 390 R CB 0.283 30.573 30.300 -0.017 0.000 0.956 390 R HN 0.863 nan 8.270 nan 0.000 0.422 391 E N 1.605 121.792 120.200 -0.021 0.000 2.204 391 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 391 E C 0.153 176.745 176.600 -0.014 0.000 0.990 391 E CA 1.164 57.554 56.400 -0.016 0.000 0.821 391 E CB 0.066 29.755 29.700 -0.020 0.000 0.750 391 E HN 0.420 nan 8.360 nan 0.000 0.477 392 D N 1.459 121.850 120.400 -0.015 0.000 2.182 392 D HA -0.135 4.504 4.640 -0.001 0.000 0.201 392 D C 1.060 177.352 176.300 -0.013 0.000 0.986 392 D CA 1.133 55.124 54.000 -0.014 0.000 0.847 392 D CB -0.210 40.582 40.800 -0.013 0.000 0.942 392 D HN 0.250 nan 8.370 nan 0.000 0.467 393 D N -0.094 120.298 120.400 -0.013 0.000 2.340 393 D HA 0.030 4.670 4.640 -0.001 0.000 0.220 393 D C 2.178 178.470 176.300 -0.013 0.000 1.039 393 D CA -0.138 53.854 54.000 -0.014 0.000 0.866 393 D CB 0.135 40.928 40.800 -0.013 0.000 0.913 393 D HN 0.226 nan 8.370 nan 0.000 0.523 394 L N 0.724 121.941 121.223 -0.009 0.000 2.013 394 L HA -0.215 4.124 4.340 -0.001 0.000 0.212 394 L C 1.710 178.575 176.870 -0.009 0.000 1.073 394 L CA 1.388 56.225 54.840 -0.005 0.000 0.753 394 L CB -0.049 42.008 42.059 -0.003 0.000 0.890 394 L HN -0.034 nan 8.230 nan 0.000 0.432 395 D N -0.289 120.103 120.400 -0.015 0.000 2.097 395 D HA -0.139 4.501 4.640 -0.001 0.000 0.197 395 D C 2.160 178.447 176.300 -0.022 0.000 0.984 395 D CA 1.418 55.406 54.000 -0.020 0.000 0.826 395 D CB -0.084 40.703 40.800 -0.022 0.000 0.973 395 D HN 0.342 nan 8.370 nan 0.000 0.460 396 A N 1.277 124.084 122.820 -0.023 0.000 1.883 396 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 396 A C 2.340 179.904 177.584 -0.033 0.000 1.186 396 A CA 2.538 54.559 52.037 -0.027 0.000 0.624 396 A CB -0.866 18.119 19.000 -0.026 0.000 0.822 396 A HN 0.243 nan 8.150 nan 0.000 0.444 397 A N -0.356 122.443 122.820 -0.035 0.000 1.933 397 A HA 0.171 4.490 4.320 -0.001 0.000 0.218 397 A C 2.478 180.034 177.584 -0.046 0.000 1.175 397 A CA 2.075 54.078 52.037 -0.055 0.000 0.628 397 A CB -0.941 18.031 19.000 -0.047 0.000 0.814 397 A HN 1.055 nan 8.150 nan 0.000 0.444 398 A N -0.159 122.652 122.820 -0.015 0.000 1.877 398 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 398 A C 2.273 179.873 177.584 0.027 0.000 1.186 398 A CA 1.515 53.558 52.037 0.011 0.000 0.620 398 A CB -0.457 18.544 19.000 0.002 0.000 0.822 398 A HN 0.535 nan 8.150 nan 0.000 0.443 399 R N -0.670 119.831 120.500 0.001 0.000 2.075 399 R HA -0.046 4.294 4.340 -0.001 0.000 0.232 399 R C 2.517 178.837 176.300 0.034 0.000 1.126 399 R CA 1.138 57.246 56.100 0.013 0.000 0.963 399 R CB -0.453 29.838 30.300 -0.015 0.000 0.858 399 R HN 0.516 nan 8.270 nan 0.000 0.435 400 A N 1.289 124.101 122.820 -0.014 0.000 1.877 400 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 400 A C 2.181 179.723 177.584 -0.070 0.000 1.186 400 A CA 1.194 53.200 52.037 -0.051 0.000 0.620 400 A CB -0.545 18.406 19.000 -0.083 0.000 0.822 400 A HN 0.169 nan 8.150 nan 0.000 0.443 401 L N -1.598 119.592 121.223 -0.055 0.000 2.056 401 L HA -0.187 4.153 4.340 -0.001 0.000 0.207 401 L C 2.719 179.680 176.870 0.152 0.000 1.078 401 L CA 1.519 56.359 54.840 -0.001 0.000 0.749 401 L CB -0.737 41.317 42.059 -0.008 0.000 0.901 401 L HN 0.584 nan 8.230 nan 0.000 0.433 402 H N 0.439 119.546 119.070 0.060 0.000 2.319 402 H HA -0.187 4.369 4.556 -0.001 0.000 0.299 402 H C 1.989 177.349 175.328 0.054 0.000 1.092 402 H CA 1.924 58.022 56.048 0.082 0.000 1.302 402 H CB 0.446 30.237 29.762 0.047 0.000 1.373 402 H HN 0.243 nan 8.280 nan 0.000 0.497 403 E N 0.257 120.516 120.200 0.099 0.000 2.216 403 E HA -0.113 4.237 4.350 -0.001 0.000 0.192 403 E C 2.250 178.796 176.600 -0.091 0.000 0.988 403 E CA 0.587 56.994 56.400 0.012 0.000 0.834 403 E CB -0.116 29.601 29.700 0.027 0.000 0.772 403 E HN 0.425 nan 8.360 nan 0.000 0.479 404 Q N -0.332 119.364 119.800 -0.174 0.000 2.050 404 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 404 Q C 0.953 176.670 176.000 -0.470 0.000 0.980 404 Q CA 1.583 57.150 55.803 -0.393 0.000 0.840 404 Q CB -0.334 28.023 28.738 -0.634 0.000 0.898 404 Q HN 0.363 nan 8.270 nan 0.000 0.424 405 F N 0.537 120.441 119.950 -0.076 0.000 2.660 405 F HA 0.238 4.765 4.527 -0.001 0.000 0.302 405 F C 0.189 175.917 175.800 -0.121 0.000 1.103 405 F CA -0.332 57.618 58.000 -0.083 0.000 1.340 405 F CB 0.348 39.308 39.000 -0.066 0.000 1.048 405 F HN -0.030 nan 8.300 nan 0.000 0.551 406 Q N 0.697 120.477 119.800 -0.033 0.000 2.435 406 Q HA -0.228 4.112 4.340 -0.001 0.000 0.312 406 Q C 1.040 176.969 176.000 -0.118 0.000 1.333 406 Q CA 0.516 56.277 55.803 -0.071 0.000 0.883 406 Q CB -2.107 26.610 28.738 -0.035 0.000 1.170 406 Q HN 0.598 nan 8.270 nan 0.000 0.443 407 L N -1.492 119.558 121.223 -0.288 0.000 2.478 407 L HA 0.013 4.352 4.340 -0.001 0.000 0.223 407 L C 1.548 178.269 176.870 -0.250 0.000 1.140 407 L CA 0.852 55.492 54.840 -0.333 0.000 0.842 407 L CB -0.089 41.682 42.059 -0.481 0.000 0.953 407 L HN 0.338 nan 8.230 nan 0.000 0.452 408 G N 0.000 108.685 108.800 -0.192 0.000 5.446 408 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 408 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 408 G CA 0.000 45.169 45.100 0.115 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925