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 3d67_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSGQVLAAL PRTSRQVQVL QNLTTTYEIV LWQPVTADLI VKKKQVHFFV DATA SEQUENCE NASDVDNVKA HLNVSGIPCS VLLADVEDLI QQQISNDTVS PRASASYYEQ DATA SEQUENCE YHSLNEIYSW IEFITERHPD MLTKIHIGSS FEKYPLYVLK VSGKEQTAKN DATA SEQUENCE AIWIDcGIHA REWISPAFcL WFIGHITQFY GIIGQYTNLL RLVDFYVMPV DATA SEQUENCE VNVDGYDYSW KKNRMWRKNR SFYANNHcIG TDLNRNFASK HWcEEGASSS DATA SEQUENCE ScSETYcGLY PESEPEVKAV ASFLRRNINQ IKAYISMHSY SQHIVFPYSY DATA SEQUENCE TRSKSKDHEE LSLVASEAVR AIEKTSKNTR YTHGHGSETL YLAPGGGDDW DATA SEQUENCE IYDLGIKYSF TIELRDTGTY GFLLPERYIK PTCREAFAAV SKIAWHVIRN DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.520 177.584 -0.107 0.000 1.274 1 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 1 A CB 0.000 19.005 19.000 0.009 0.000 0.831 2 Q N -0.812 118.975 119.800 -0.021 0.000 2.619 2 Q HA 0.322 4.663 4.340 0.001 0.000 0.230 2 Q C 0.563 176.574 176.000 0.019 0.000 0.871 2 Q CA 1.084 56.873 55.803 -0.024 0.000 0.934 2 Q CB 1.287 30.022 28.738 -0.005 0.000 1.183 2 Q HN 0.761 nan 8.270 nan 0.000 0.631 3 S N -1.467 114.294 115.700 0.102 0.000 2.596 3 S HA 0.790 5.260 4.470 0.001 0.000 0.270 3 S C -0.384 174.347 174.600 0.219 0.000 1.155 3 S CA 0.091 58.373 58.200 0.137 0.000 0.827 3 S CB 2.108 65.343 63.200 0.058 0.000 1.130 3 S HN 0.432 nan 8.310 nan 0.000 0.467 4 G N 0.940 109.840 108.800 0.167 0.000 2.373 4 G HA2 0.362 4.322 3.960 0.001 0.000 0.250 4 G HA3 0.362 4.322 3.960 0.001 0.000 0.250 4 G C -2.097 172.811 174.900 0.014 0.000 1.304 4 G CA -0.563 44.547 45.100 0.017 0.000 0.948 4 G HN 0.855 nan 8.290 nan 0.000 0.474 5 Q N -1.604 118.101 119.800 -0.158 0.000 2.605 5 Q HA 0.683 5.023 4.340 0.001 0.000 0.296 5 Q C -1.492 174.358 176.000 -0.250 0.000 1.056 5 Q CA -0.977 54.732 55.803 -0.157 0.000 0.778 5 Q CB 3.182 31.797 28.738 -0.204 0.000 1.497 5 Q HN 0.518 nan 8.270 nan 0.000 0.443 6 V N 2.221 121.941 119.914 -0.322 0.000 2.447 6 V HA 0.426 4.546 4.120 0.001 0.000 0.292 6 V C -0.742 174.999 176.094 -0.587 0.000 1.021 6 V CA -0.532 61.436 62.300 -0.553 0.000 0.850 6 V CB 1.172 32.580 31.823 -0.691 0.000 1.005 6 V HN 0.507 nan 8.190 nan 0.000 0.426 7 L N 3.616 124.358 121.223 -0.801 0.000 2.334 7 L HA 0.955 5.295 4.340 0.001 0.000 0.272 7 L C 0.447 176.895 176.870 -0.703 0.000 1.020 7 L CA -0.584 53.827 54.840 -0.715 0.000 0.812 7 L CB 1.736 43.359 42.059 -0.727 0.000 1.264 7 L HN 0.666 nan 8.230 nan 0.000 0.439 8 A N 1.586 124.209 122.820 -0.328 0.000 2.288 8 A HA 0.987 5.307 4.320 0.001 0.000 0.328 8 A C -0.597 177.031 177.584 0.075 0.000 1.123 8 A CA -0.267 51.752 52.037 -0.030 0.000 0.861 8 A CB 1.621 20.625 19.000 0.007 0.000 1.272 8 A HN 0.904 nan 8.150 nan 0.000 0.490 9 A N -0.226 122.716 122.820 0.203 0.000 2.582 9 A HA 0.592 4.912 4.320 0.001 0.000 0.297 9 A C -1.664 176.003 177.584 0.138 0.000 1.059 9 A CA -0.224 51.919 52.037 0.178 0.000 0.705 9 A CB 0.726 19.892 19.000 0.276 0.000 1.279 9 A HN 1.639 nan 8.150 nan 0.000 0.404 10 L N 3.722 124.997 121.223 0.086 0.000 2.454 10 L HA 0.518 4.858 4.340 0.001 0.000 0.258 10 L C -2.450 174.444 176.870 0.039 0.000 1.025 10 L CA -1.664 53.212 54.840 0.061 0.000 0.901 10 L CB 2.078 44.169 42.059 0.054 0.000 1.210 10 L HN 0.572 nan 8.230 nan 0.000 0.457 11 P HA 0.291 nan 4.420 nan 0.000 0.274 11 P C -0.494 176.813 177.300 0.012 0.000 1.246 11 P CA -0.284 62.827 63.100 0.017 0.000 0.795 11 P CB 1.611 33.317 31.700 0.009 0.000 1.006 12 R N -0.581 119.923 120.500 0.007 0.000 2.215 12 R HA 0.150 4.490 4.340 0.001 0.000 0.190 12 R C 0.683 176.983 176.300 0.001 0.000 0.968 12 R CA 0.657 56.759 56.100 0.004 0.000 1.122 12 R CB -0.184 30.119 30.300 0.004 0.000 1.151 12 R HN 0.605 nan 8.270 nan 0.000 0.582 13 T N -1.538 113.015 114.554 -0.002 0.000 2.950 13 T HA 0.153 4.503 4.350 0.001 0.000 0.288 13 T C 1.117 175.813 174.700 -0.006 0.000 1.035 13 T CA -0.406 61.692 62.100 -0.004 0.000 1.028 13 T CB 1.856 70.721 68.868 -0.005 0.000 1.109 13 T HN 0.117 nan 8.240 nan 0.000 0.514 14 S N 0.316 116.011 115.700 -0.008 0.000 2.461 14 S HA -0.254 4.216 4.470 0.001 0.000 0.246 14 S C 1.871 176.464 174.600 -0.012 0.000 1.007 14 S CA 1.102 59.296 58.200 -0.011 0.000 0.976 14 S CB -0.673 62.520 63.200 -0.012 0.000 0.763 14 S HN 0.814 nan 8.310 nan 0.000 0.508 15 R N 1.054 121.548 120.500 -0.010 0.000 2.062 15 R HA 0.046 4.386 4.340 0.001 0.000 0.226 15 R C 2.603 178.898 176.300 -0.008 0.000 1.125 15 R CA 1.193 57.287 56.100 -0.010 0.000 0.966 15 R CB -0.277 30.018 30.300 -0.009 0.000 0.861 15 R HN 0.519 nan 8.270 nan 0.000 0.433 16 Q N -0.069 119.727 119.800 -0.007 0.000 2.226 16 Q HA -0.119 4.222 4.340 0.001 0.000 0.204 16 Q C 2.091 178.086 176.000 -0.009 0.000 0.975 16 Q CA 1.496 57.297 55.803 -0.004 0.000 0.866 16 Q CB 0.152 28.890 28.738 0.000 0.000 0.915 16 Q HN 0.242 nan 8.270 nan 0.000 0.440 17 V N 0.879 120.784 119.914 -0.014 0.000 2.244 17 V HA -0.279 3.842 4.120 0.001 0.000 0.244 17 V C 1.988 178.063 176.094 -0.031 0.000 1.042 17 V CA 1.890 64.176 62.300 -0.024 0.000 1.006 17 V CB -0.543 31.266 31.823 -0.023 0.000 0.641 17 V HN 0.341 nan 8.190 nan 0.000 0.446 18 Q N -0.750 119.035 119.800 -0.024 0.000 2.508 18 Q HA -0.113 4.228 4.340 0.001 0.000 0.214 18 Q C 2.030 178.019 176.000 -0.019 0.000 0.979 18 Q CA 0.861 56.649 55.803 -0.026 0.000 0.911 18 Q CB -0.031 28.694 28.738 -0.021 0.000 0.969 18 Q HN 0.551 nan 8.270 nan 0.000 0.504 19 V N -0.165 119.744 119.914 -0.009 0.000 2.331 19 V HA -0.194 3.927 4.120 0.001 0.000 0.242 19 V C 1.956 178.042 176.094 -0.012 0.000 1.034 19 V CA 1.120 63.429 62.300 0.015 0.000 1.027 19 V CB -0.258 31.588 31.823 0.038 0.000 0.667 19 V HN 0.381 nan 8.190 nan 0.000 0.457 20 L N -0.258 120.938 121.223 -0.046 0.000 2.079 20 L HA -0.285 4.055 4.340 0.001 0.000 0.210 20 L C 2.729 179.514 176.870 -0.142 0.000 1.081 20 L CA 1.793 56.561 54.840 -0.120 0.000 0.752 20 L CB -0.460 41.520 42.059 -0.132 0.000 0.896 20 L HN 0.456 nan 8.230 nan 0.000 0.433 21 Q N -0.647 119.094 119.800 -0.098 0.000 2.046 21 Q HA -0.192 4.149 4.340 0.001 0.000 0.200 21 Q C 1.949 177.896 176.000 -0.088 0.000 0.975 21 Q CA 1.411 57.158 55.803 -0.093 0.000 0.836 21 Q CB -0.198 28.497 28.738 -0.072 0.000 0.896 21 Q HN 0.448 nan 8.270 nan 0.000 0.428 22 N N 0.707 119.365 118.700 -0.070 0.000 2.272 22 N HA -0.105 4.635 4.740 0.001 0.000 0.185 22 N C 1.685 177.135 175.510 -0.100 0.000 1.014 22 N CA 0.799 53.804 53.050 -0.076 0.000 0.870 22 N CB -0.152 38.307 38.487 -0.047 0.000 0.975 22 N HN 0.202 nan 8.380 nan 0.000 0.433 23 L N 0.073 121.250 121.223 -0.077 0.000 1.994 23 L HA -0.164 4.177 4.340 0.001 0.000 0.208 23 L C 2.378 179.211 176.870 -0.062 0.000 1.071 23 L CA 1.777 56.591 54.840 -0.043 0.000 0.745 23 L CB -1.104 40.922 42.059 -0.054 0.000 0.892 23 L HN 0.348 nan 8.230 nan 0.000 0.431 24 T N -4.238 110.250 114.554 -0.110 0.000 3.035 24 T HA -0.120 4.230 4.350 0.001 0.000 0.268 24 T C 1.690 176.351 174.700 -0.064 0.000 1.109 24 T CA 1.538 63.588 62.100 -0.084 0.000 1.119 24 T CB -0.215 68.591 68.868 -0.104 0.000 0.900 24 T HN 0.179 nan 8.240 nan 0.000 0.503 25 T N 1.780 116.280 114.554 -0.090 0.000 2.809 25 T HA -0.028 4.323 4.350 0.001 0.000 0.260 25 T C 2.146 176.762 174.700 -0.139 0.000 1.039 25 T CA 1.787 63.828 62.100 -0.097 0.000 1.141 25 T CB -0.757 68.050 68.868 -0.102 0.000 0.869 25 T HN 0.496 nan 8.240 nan 0.000 0.437 26 T N 0.864 115.285 114.554 -0.221 0.000 2.614 26 T HA -0.007 4.343 4.350 0.001 0.000 0.263 26 T C 0.508 174.950 174.700 -0.430 0.000 1.055 26 T CA 1.266 63.103 62.100 -0.439 0.000 1.162 26 T CB -0.276 68.128 68.868 -0.773 0.000 0.863 26 T HN 0.263 nan 8.240 nan 0.000 0.414 27 Y N 0.505 120.749 120.300 -0.093 0.000 2.545 27 Y HA 0.400 4.950 4.550 0.001 0.000 0.324 27 Y C 0.683 176.555 175.900 -0.046 0.000 1.220 27 Y CA -1.443 56.611 58.100 -0.076 0.000 1.290 27 Y CB 0.595 38.996 38.460 -0.097 0.000 1.355 27 Y HN -0.095 nan 8.280 nan 0.000 0.516 28 E N 2.275 122.571 120.200 0.160 0.000 1.802 28 E HA 0.228 4.579 4.350 0.001 0.000 0.265 28 E C -1.051 175.586 176.600 0.062 0.000 1.168 28 E CA 0.248 56.706 56.400 0.096 0.000 1.033 28 E CB -0.521 29.227 29.700 0.079 0.000 1.095 28 E HN 0.420 nan 8.360 nan 0.000 0.436 29 I N 1.366 121.995 120.570 0.098 0.000 2.498 29 I HA 0.262 4.433 4.170 0.001 0.000 0.290 29 I C -0.389 175.848 176.117 0.201 0.000 1.032 29 I CA -1.037 60.333 61.300 0.117 0.000 1.073 29 I CB 2.284 40.335 38.000 0.085 0.000 1.251 29 I HN -0.114 nan 8.210 nan 0.000 0.426 30 V N 6.810 126.926 119.914 0.337 0.000 2.378 30 V HA 0.375 4.495 4.120 0.001 0.000 0.288 30 V C 0.114 176.483 176.094 0.458 0.000 1.016 30 V CA -0.585 61.950 62.300 0.391 0.000 0.840 30 V CB 1.573 33.695 31.823 0.499 0.000 0.994 30 V HN 0.493 nan 8.190 nan 0.000 0.431 31 L N 3.902 125.345 121.223 0.366 0.000 2.416 31 L HA 0.159 4.499 4.340 0.001 0.000 0.272 31 L C 0.533 177.788 176.870 0.641 0.000 1.161 31 L CA 0.225 55.314 54.840 0.416 0.000 0.845 31 L CB 0.813 43.007 42.059 0.224 0.000 1.119 31 L HN 0.709 nan 8.230 nan 0.000 0.464 32 W N 0.592 122.110 121.300 0.364 0.000 2.678 32 W HA 0.150 4.810 4.660 0.001 0.000 0.282 32 W C 0.972 177.637 176.519 0.244 0.000 1.137 32 W CA -0.061 57.537 57.345 0.421 0.000 1.515 32 W CB 0.013 29.728 29.460 0.424 0.000 1.101 32 W HN 0.414 nan 8.180 nan 0.000 0.564 33 Q N 0.103 120.165 119.800 0.437 0.000 2.301 33 Q HA 0.342 4.682 4.340 0.001 0.000 0.267 33 Q C -2.284 173.765 176.000 0.081 0.000 1.035 33 Q CA -2.003 53.870 55.803 0.116 0.000 0.856 33 Q CB 1.556 30.212 28.738 -0.136 0.000 1.337 33 Q HN -0.381 nan 8.270 nan 0.000 0.450 34 P HA -0.297 nan 4.420 nan 0.000 0.268 34 P C 0.025 177.312 177.300 -0.021 0.000 1.160 34 P CA 0.635 63.706 63.100 -0.048 0.000 0.790 34 P CB 0.253 31.908 31.700 -0.075 0.000 0.683 35 V N 2.269 122.101 119.914 -0.137 0.000 2.283 35 V HA -0.081 4.040 4.120 0.001 0.000 0.243 35 V C 1.188 177.233 176.094 -0.082 0.000 1.039 35 V CA 2.756 65.010 62.300 -0.077 0.000 1.016 35 V CB -0.560 31.186 31.823 -0.129 0.000 0.650 35 V HN 0.859 nan 8.190 nan 0.000 0.449 36 T N -3.018 111.437 114.554 -0.165 0.000 2.912 36 T HA 0.660 5.011 4.350 0.001 0.000 0.280 36 T C 1.027 175.666 174.700 -0.101 0.000 0.989 36 T CA -0.028 62.001 62.100 -0.118 0.000 0.995 36 T CB 1.504 70.288 68.868 -0.139 0.000 1.077 36 T HN 0.483 nan 8.240 nan 0.000 0.531 37 A N 0.781 123.553 122.820 -0.080 0.000 1.929 37 A HA -0.005 4.316 4.320 0.001 0.000 0.216 37 A C 2.063 179.597 177.584 -0.083 0.000 1.176 37 A CA 1.455 53.445 52.037 -0.078 0.000 0.628 37 A CB -0.908 18.048 19.000 -0.074 0.000 0.816 37 A HN 1.003 nan 8.150 nan 0.000 0.444 38 D N -0.032 120.315 120.400 -0.087 0.000 2.312 38 D HA -0.087 4.553 4.640 0.001 0.000 0.211 38 D C 1.452 177.701 176.300 -0.085 0.000 0.964 38 D CA 0.601 54.553 54.000 -0.080 0.000 0.877 38 D CB -0.252 40.502 40.800 -0.077 0.000 0.924 38 D HN 0.459 nan 8.370 nan 0.000 0.515 39 L N 0.840 121.996 121.223 -0.112 0.000 2.627 39 L HA 0.182 4.522 4.340 0.001 0.000 0.233 39 L C 0.755 177.579 176.870 -0.077 0.000 1.144 39 L CA -0.131 54.641 54.840 -0.114 0.000 0.892 39 L CB -0.023 41.912 42.059 -0.206 0.000 1.039 39 L HN -0.047 nan 8.230 nan 0.000 0.442 40 I N 1.452 121.983 120.570 -0.066 0.000 2.389 40 I HA 0.037 4.208 4.170 0.001 0.000 0.295 40 I C 0.441 176.538 176.117 -0.034 0.000 1.117 40 I CA -0.216 61.057 61.300 -0.046 0.000 1.317 40 I CB 0.153 38.123 38.000 -0.049 0.000 1.431 40 I HN -0.106 nan 8.210 nan 0.000 0.521 41 V N 3.311 123.212 119.914 -0.022 0.000 3.234 41 V HA 0.395 4.515 4.120 0.001 0.000 0.317 41 V C 1.165 177.254 176.094 -0.009 0.000 1.081 41 V CA -0.705 61.586 62.300 -0.015 0.000 1.037 41 V CB 1.508 33.326 31.823 -0.009 0.000 1.148 41 V HN 0.663 nan 8.190 nan 0.000 0.453 42 K N 0.488 120.885 120.400 -0.006 0.000 1.969 42 K HA -0.067 4.253 4.320 0.001 0.000 0.223 42 K C 1.479 178.081 176.600 0.003 0.000 1.048 42 K CA 2.205 58.490 56.287 -0.003 0.000 0.983 42 K CB -0.255 32.243 32.500 -0.003 0.000 0.738 42 K HN 0.720 nan 8.250 nan 0.000 0.446 43 K N 0.864 121.268 120.400 0.006 0.000 2.708 43 K HA 0.096 4.417 4.320 0.001 0.000 0.219 43 K C -0.695 175.914 176.600 0.016 0.000 1.068 43 K CA 0.122 56.416 56.287 0.011 0.000 1.212 43 K CB 0.474 32.980 32.500 0.011 0.000 0.978 43 K HN 0.055 nan 8.250 nan 0.000 0.475 44 K N 1.006 121.415 120.400 0.015 0.000 2.270 44 K HA 0.191 4.512 4.320 0.001 0.000 0.255 44 K C -0.400 176.211 176.600 0.018 0.000 0.936 44 K CA -0.709 55.588 56.287 0.016 0.000 0.809 44 K CB 2.121 34.627 32.500 0.010 0.000 1.131 44 K HN 0.057 nan 8.250 nan 0.000 0.427 45 Q N 1.218 121.032 119.800 0.022 0.000 2.369 45 Q HA 0.069 4.409 4.340 0.001 0.000 0.295 45 Q C -0.917 175.062 176.000 -0.035 0.000 1.075 45 Q CA 0.300 56.124 55.803 0.034 0.000 0.941 45 Q CB 0.709 29.495 28.738 0.080 0.000 1.260 45 Q HN 0.237 nan 8.270 nan 0.000 0.417 46 V N 3.746 123.695 119.914 0.058 0.000 2.577 46 V HA 0.309 4.429 4.120 0.001 0.000 0.303 46 V C -1.176 175.118 176.094 0.333 0.000 1.042 46 V CA -0.676 61.681 62.300 0.095 0.000 0.872 46 V CB 1.707 33.616 31.823 0.143 0.000 0.998 46 V HN 0.819 nan 8.190 nan 0.000 0.423 47 H N 5.314 124.561 119.070 0.294 0.000 2.492 47 H HA 0.813 5.370 4.556 0.001 0.000 0.345 47 H C -0.958 174.543 175.328 0.289 0.000 1.136 47 H CA -0.721 55.444 56.048 0.195 0.000 1.202 47 H CB 2.012 31.924 29.762 0.250 0.000 1.524 47 H HN 0.645 nan 8.280 nan 0.000 0.506 48 F N 0.331 120.266 119.950 -0.024 0.000 2.688 48 F HA 0.330 4.857 4.527 0.001 0.000 0.308 48 F C -2.067 173.533 175.800 -0.333 0.000 1.117 48 F CA -1.531 56.397 58.000 -0.119 0.000 0.976 48 F CB 0.694 39.694 39.000 0.001 0.000 1.291 48 F HN 0.379 nan 8.300 nan 0.000 0.439 49 F N 3.413 123.142 119.950 -0.368 0.000 2.394 49 F HA 0.788 5.315 4.527 0.001 0.000 0.340 49 F C -1.229 174.557 175.800 -0.023 0.000 1.105 49 F CA -0.978 56.815 58.000 -0.347 0.000 1.124 49 F CB 1.457 40.352 39.000 -0.174 0.000 1.145 49 F HN 0.436 nan 8.300 nan 0.000 0.505 50 V N 5.748 125.063 119.914 -0.998 0.000 2.483 50 V HA 0.237 4.357 4.120 0.001 0.000 0.297 50 V C -0.228 175.233 176.094 -1.055 0.000 1.027 50 V CA -1.218 60.646 62.300 -0.726 0.000 0.855 50 V CB 1.294 32.926 31.823 -0.318 0.000 0.995 50 V HN 0.841 nan 8.190 nan 0.000 0.424 51 N N 2.792 121.042 118.700 -0.751 0.000 2.374 51 N HA 0.225 4.965 4.740 0.001 0.000 0.241 51 N C 1.384 176.751 175.510 -0.238 0.000 1.262 51 N CA 0.713 53.524 53.050 -0.399 0.000 0.880 51 N CB 1.299 39.742 38.487 -0.072 0.000 1.105 51 N HN 0.826 nan 8.380 nan 0.000 0.438 52 A N 1.814 124.568 122.820 -0.110 0.000 1.892 52 A HA -0.256 4.065 4.320 0.001 0.000 0.218 52 A C 2.182 179.721 177.584 -0.075 0.000 1.188 52 A CA 2.439 54.429 52.037 -0.078 0.000 0.631 52 A CB -1.454 17.532 19.000 -0.023 0.000 0.822 52 A HN 0.830 nan 8.150 nan 0.000 0.447 53 S N 0.442 116.114 115.700 -0.046 0.000 2.368 53 S HA -0.219 4.252 4.470 0.001 0.000 0.226 53 S C 1.045 175.605 174.600 -0.066 0.000 1.044 53 S CA 1.648 59.827 58.200 -0.035 0.000 1.062 53 S CB -0.635 62.565 63.200 -0.002 0.000 0.931 53 S HN 0.580 nan 8.310 nan 0.000 0.440 54 D N 0.648 120.990 120.400 -0.096 0.000 2.325 54 D HA 0.306 4.947 4.640 0.001 0.000 0.225 54 D C 1.617 177.759 176.300 -0.264 0.000 1.096 54 D CA -0.008 53.884 54.000 -0.180 0.000 0.844 54 D CB 0.194 40.920 40.800 -0.124 0.000 0.925 54 D HN 0.289 nan 8.370 nan 0.000 0.513 55 V N 1.038 120.833 119.914 -0.198 0.000 2.244 55 V HA -0.236 3.884 4.120 0.001 0.000 0.244 55 V C 1.878 177.866 176.094 -0.178 0.000 1.042 55 V CA 1.710 63.893 62.300 -0.194 0.000 1.006 55 V CB -0.227 31.498 31.823 -0.164 0.000 0.641 55 V HN 0.070 nan 8.190 nan 0.000 0.446 56 D N 0.354 120.667 120.400 -0.145 0.000 2.106 56 D HA -0.168 4.472 4.640 0.001 0.000 0.191 56 D C 2.073 178.284 176.300 -0.148 0.000 0.997 56 D CA 1.389 55.319 54.000 -0.118 0.000 0.834 56 D CB -0.575 40.174 40.800 -0.085 0.000 0.956 56 D HN 0.379 nan 8.370 nan 0.000 0.448 57 N N 0.260 118.828 118.700 -0.220 0.000 2.094 57 N HA -0.130 4.611 4.740 0.001 0.000 0.191 57 N C 1.989 177.287 175.510 -0.352 0.000 1.023 57 N CA 0.820 53.685 53.050 -0.308 0.000 0.857 57 N CB -0.331 37.832 38.487 -0.540 0.000 1.013 57 N HN 0.139 nan 8.380 nan 0.000 0.426 58 V N 1.466 121.133 119.914 -0.412 0.000 2.323 58 V HA -0.134 3.986 4.120 0.001 0.000 0.244 58 V C 2.286 178.341 176.094 -0.064 0.000 1.041 58 V CA 1.330 63.473 62.300 -0.262 0.000 1.025 58 V CB -0.361 31.345 31.823 -0.195 0.000 0.656 58 V HN 0.236 nan 8.190 nan 0.000 0.451 59 K N 0.319 120.672 120.400 -0.078 0.000 2.103 59 K HA -0.136 4.185 4.320 0.001 0.000 0.207 59 K C 2.213 178.801 176.600 -0.021 0.000 1.048 59 K CA 1.498 57.760 56.287 -0.042 0.000 0.930 59 K CB -0.354 32.106 32.500 -0.066 0.000 0.716 59 K HN 0.478 nan 8.250 nan 0.000 0.444 60 A N 0.327 123.130 122.820 -0.028 0.000 2.014 60 A HA -0.155 4.166 4.320 0.001 0.000 0.218 60 A C 1.817 179.419 177.584 0.030 0.000 1.163 60 A CA 1.130 53.163 52.037 -0.006 0.000 0.652 60 A CB -0.470 18.524 19.000 -0.010 0.000 0.808 60 A HN 0.319 nan 8.150 nan 0.000 0.449 61 H N -0.704 118.338 119.070 -0.047 0.000 2.482 61 H HA 0.162 4.718 4.556 0.001 0.000 0.286 61 H C 1.791 177.119 175.328 0.000 0.000 1.017 61 H CA 1.000 57.044 56.048 -0.007 0.000 1.322 61 H CB 0.198 29.976 29.762 0.027 0.000 1.426 61 H HN 0.406 nan 8.280 nan 0.000 0.546 62 L N 0.381 121.651 121.223 0.078 0.000 2.068 62 L HA -0.156 4.184 4.340 0.001 0.000 0.204 62 L C 2.558 179.428 176.870 -0.000 0.000 1.076 62 L CA 0.717 55.583 54.840 0.044 0.000 0.753 62 L CB -0.522 41.576 42.059 0.065 0.000 0.910 62 L HN 0.242 nan 8.230 nan 0.000 0.439 63 N N 0.932 119.626 118.700 -0.009 0.000 2.049 63 N HA -0.213 4.527 4.740 0.001 0.000 0.198 63 N C 1.702 177.187 175.510 -0.042 0.000 1.030 63 N CA 2.191 55.227 53.050 -0.024 0.000 0.870 63 N CB -0.445 38.027 38.487 -0.026 0.000 1.045 63 N HN 0.075 nan 8.380 nan 0.000 0.434 64 V N 0.222 120.094 119.914 -0.070 0.000 2.295 64 V HA -0.141 3.980 4.120 0.001 0.000 0.246 64 V C 2.195 178.234 176.094 -0.092 0.000 1.049 64 V CA 2.020 64.261 62.300 -0.099 0.000 1.024 64 V CB -0.730 30.990 31.823 -0.172 0.000 0.648 64 V HN 0.335 nan 8.190 nan 0.000 0.447 65 S N -0.373 115.268 115.700 -0.098 0.000 2.607 65 S HA 0.210 4.681 4.470 0.001 0.000 0.224 65 S C 1.511 176.092 174.600 -0.032 0.000 0.969 65 S CA 0.722 58.883 58.200 -0.065 0.000 0.927 65 S CB -0.050 63.121 63.200 -0.049 0.000 0.772 65 S HN 0.970 nan 8.310 nan 0.000 0.533 66 G N 1.665 110.449 108.800 -0.028 0.000 2.198 66 G HA2 -0.263 3.697 3.960 0.001 0.000 0.260 66 G HA3 -0.263 3.697 3.960 0.001 0.000 0.260 66 G C -0.014 174.883 174.900 -0.005 0.000 1.025 66 G CA -0.130 44.960 45.100 -0.017 0.000 0.769 66 G HN 0.539 nan 8.290 nan 0.000 0.507 67 I N 2.276 122.848 120.570 0.003 0.000 2.312 67 I HA 0.248 4.418 4.170 0.001 0.000 0.291 67 I C -1.575 174.555 176.117 0.023 0.000 1.031 67 I CA -2.268 59.043 61.300 0.018 0.000 1.293 67 I CB 1.244 39.263 38.000 0.032 0.000 1.403 67 I HN -0.076 nan 8.210 nan 0.000 0.484 68 P HA 0.001 nan 4.420 nan 0.000 0.267 68 P C -0.799 176.516 177.300 0.025 0.000 1.209 68 P CA -0.219 62.891 63.100 0.015 0.000 0.763 68 P CB 0.686 32.394 31.700 0.013 0.000 0.816 69 C N 3.146 122.452 119.300 0.010 0.000 2.522 69 C HA 0.582 5.042 4.460 0.001 0.000 0.344 69 C C -0.262 174.708 174.990 -0.034 0.000 1.104 69 C CA -0.243 58.779 59.018 0.007 0.000 1.317 69 C CB 0.426 28.180 27.740 0.024 0.000 1.896 69 C HN 0.599 nan 8.230 nan 0.000 0.443 70 S N 3.569 119.235 115.700 -0.057 0.000 2.549 70 S HA 0.773 5.244 4.470 0.001 0.000 0.297 70 S C -0.609 173.901 174.600 -0.149 0.000 1.115 70 S CA -0.368 57.777 58.200 -0.091 0.000 1.059 70 S CB 1.414 64.563 63.200 -0.085 0.000 1.046 70 S HN 0.856 nan 8.310 nan 0.000 0.506 71 V N 6.360 126.181 119.914 -0.156 0.000 2.368 71 V HA 0.219 4.339 4.120 0.001 0.000 0.266 71 V C 0.535 176.496 176.094 -0.223 0.000 1.045 71 V CA -0.329 61.851 62.300 -0.200 0.000 0.899 71 V CB 0.971 32.694 31.823 -0.167 0.000 1.006 71 V HN 0.825 nan 8.190 nan 0.000 0.470 72 L N 5.823 126.872 121.223 -0.289 0.000 2.131 72 L HA 0.215 4.556 4.340 0.001 0.000 0.206 72 L C 0.507 177.199 176.870 -0.295 0.000 1.087 72 L CA 1.532 56.180 54.840 -0.319 0.000 0.767 72 L CB -0.301 41.517 42.059 -0.402 0.000 0.917 72 L HN 0.461 nan 8.230 nan 0.000 0.441 73 L N -1.951 119.118 121.223 -0.256 0.000 2.482 73 L HA 0.449 4.790 4.340 0.001 0.000 0.269 73 L C 0.654 177.439 176.870 -0.142 0.000 0.967 73 L CA -0.306 54.430 54.840 -0.173 0.000 0.851 73 L CB 1.567 43.557 42.059 -0.114 0.000 1.242 73 L HN -0.172 nan 8.230 nan 0.000 0.404 74 A N 1.191 123.945 122.820 -0.111 0.000 2.119 74 A HA -0.000 4.320 4.320 0.001 0.000 0.216 74 A C 0.473 178.018 177.584 -0.064 0.000 1.152 74 A CA 1.145 53.126 52.037 -0.094 0.000 0.708 74 A CB -0.139 18.813 19.000 -0.080 0.000 0.805 74 A HN 0.730 nan 8.150 nan 0.000 0.460 75 D N -1.296 119.079 120.400 -0.042 0.000 2.365 75 D HA 0.314 4.954 4.640 0.001 0.000 0.235 75 D C 0.623 176.921 176.300 -0.002 0.000 1.368 75 D CA -0.324 53.665 54.000 -0.019 0.000 1.001 75 D CB 1.105 41.894 40.800 -0.018 0.000 1.364 75 D HN -0.153 nan 8.370 nan 0.000 0.577 76 V N 3.543 123.472 119.914 0.025 0.000 2.270 76 V HA -0.172 3.948 4.120 0.001 0.000 0.245 76 V C 2.404 178.486 176.094 -0.020 0.000 1.043 76 V CA 2.178 64.492 62.300 0.023 0.000 1.014 76 V CB -0.464 31.417 31.823 0.096 0.000 0.645 76 V HN 0.713 nan 8.190 nan 0.000 0.447 77 E N 0.227 120.424 120.200 -0.005 0.000 2.136 77 E HA -0.386 3.964 4.350 0.001 0.000 0.202 77 E C 1.851 178.430 176.600 -0.035 0.000 1.019 77 E CA 2.342 58.727 56.400 -0.025 0.000 0.819 77 E CB -0.260 29.437 29.700 -0.005 0.000 0.739 77 E HN 0.723 nan 8.360 nan 0.000 0.458 78 D N -0.125 120.260 120.400 -0.024 0.000 2.078 78 D HA -0.147 4.493 4.640 0.001 0.000 0.193 78 D C 2.226 178.504 176.300 -0.035 0.000 0.990 78 D CA 1.389 55.376 54.000 -0.022 0.000 0.827 78 D CB -0.238 40.555 40.800 -0.012 0.000 0.975 78 D HN 0.236 nan 8.370 nan 0.000 0.451 79 L N 0.335 121.534 121.223 -0.041 0.000 2.051 79 L HA -0.216 4.125 4.340 0.001 0.000 0.214 79 L C 2.455 179.254 176.870 -0.118 0.000 1.076 79 L CA 1.031 55.832 54.840 -0.064 0.000 0.758 79 L CB -0.364 41.666 42.059 -0.049 0.000 0.890 79 L HN 0.280 nan 8.230 nan 0.000 0.433 80 I N -1.486 118.993 120.570 -0.152 0.000 2.315 80 I HA -0.255 3.916 4.170 0.001 0.000 0.248 80 I C 2.490 178.516 176.117 -0.150 0.000 1.117 80 I CA 0.841 61.999 61.300 -0.237 0.000 1.404 80 I CB -0.474 37.370 38.000 -0.259 0.000 1.071 80 I HN 0.347 nan 8.210 nan 0.000 0.419 81 Q N 0.823 120.576 119.800 -0.079 0.000 2.123 81 Q HA -0.162 4.179 4.340 0.001 0.000 0.199 81 Q C 2.172 178.169 176.000 -0.004 0.000 0.966 81 Q CA 1.426 57.214 55.803 -0.026 0.000 0.845 81 Q CB -0.261 28.471 28.738 -0.010 0.000 0.907 81 Q HN 0.617 nan 8.270 nan 0.000 0.439 82 Q N 0.244 120.035 119.800 -0.016 0.000 2.020 82 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 82 Q C 2.166 178.182 176.000 0.027 0.000 0.982 82 Q CA 1.059 56.864 55.803 0.003 0.000 0.838 82 Q CB -0.103 28.629 28.738 -0.011 0.000 0.899 82 Q HN 0.427 nan 8.270 nan 0.000 0.423 83 Q N 0.187 119.993 119.800 0.010 0.000 2.197 83 Q HA -0.191 4.149 4.340 0.001 0.000 0.207 83 Q C 1.999 178.063 176.000 0.106 0.000 0.984 83 Q CA 1.145 57.001 55.803 0.089 0.000 0.869 83 Q CB -0.116 28.595 28.738 -0.044 0.000 0.906 83 Q HN 0.461 nan 8.270 nan 0.000 0.426 84 I N 0.174 120.761 120.570 0.029 0.000 2.617 84 I HA -0.192 3.978 4.170 0.001 0.000 0.256 84 I C 2.549 178.804 176.117 0.230 0.000 1.167 84 I CA 0.818 62.208 61.300 0.150 0.000 1.469 84 I CB -0.146 37.944 38.000 0.149 0.000 1.098 84 I HN 0.179 nan 8.210 nan 0.000 0.436 85 S N 0.901 116.674 115.700 0.121 0.000 2.368 85 S HA -0.125 4.345 4.470 0.001 0.000 0.224 85 S C 1.662 176.304 174.600 0.070 0.000 1.029 85 S CA 1.234 59.488 58.200 0.089 0.000 0.988 85 S CB -0.427 62.805 63.200 0.052 0.000 0.838 85 S HN 0.351 nan 8.310 nan 0.000 0.462 86 N N 2.087 120.817 118.700 0.049 0.000 2.461 86 N HA 0.162 4.902 4.740 0.001 0.000 0.188 86 N C -0.319 175.155 175.510 -0.060 0.000 1.134 86 N CA 0.286 53.334 53.050 -0.003 0.000 0.878 86 N CB -0.443 38.029 38.487 -0.025 0.000 0.972 86 N HN 0.553 nan 8.380 nan 0.000 0.456 87 D N 0.191 120.570 120.400 -0.034 0.000 2.458 87 D HA -0.036 4.604 4.640 0.001 0.000 0.243 87 D C 0.537 176.834 176.300 -0.005 0.000 1.146 87 D CA 0.863 54.797 54.000 -0.111 0.000 0.877 87 D CB 0.359 41.141 40.800 -0.029 0.000 1.176 87 D HN 0.160 nan 8.370 nan 0.000 0.461 88 T N 1.855 116.446 114.554 0.063 0.000 4.210 88 T HA -0.210 4.140 4.350 0.001 0.000 0.329 88 T C 1.031 175.768 174.700 0.061 0.000 0.793 88 T CA 1.030 63.189 62.100 0.098 0.000 1.935 88 T CB -1.404 67.505 68.868 0.069 0.000 1.918 88 T HN 0.251 nan 8.240 nan 0.000 0.875 89 V N 0.799 120.740 119.914 0.044 0.000 2.249 89 V HA 0.102 4.223 4.120 0.001 0.000 0.239 89 V C 1.891 178.013 176.094 0.047 0.000 1.038 89 V CA 1.781 64.102 62.300 0.034 0.000 1.005 89 V CB -0.239 31.594 31.823 0.016 0.000 0.646 89 V HN 0.976 nan 8.190 nan 0.000 0.455 90 S N 1.712 117.450 115.700 0.064 0.000 2.655 90 S HA 0.389 4.859 4.470 0.001 0.000 0.265 90 S C -2.397 172.263 174.600 0.100 0.000 1.240 90 S CA -0.994 57.249 58.200 0.072 0.000 0.986 90 S CB 0.818 64.062 63.200 0.073 0.000 0.985 90 S HN 0.335 nan 8.310 nan 0.000 0.562 91 P HA 0.357 nan 4.420 nan 0.000 0.278 91 P C -0.960 176.230 177.300 -0.184 0.000 1.266 91 P CA -0.859 62.212 63.100 -0.048 0.000 0.807 91 P CB 0.414 32.077 31.700 -0.062 0.000 1.094 92 R N 0.860 121.098 120.500 -0.437 0.000 2.345 92 R HA 0.377 4.717 4.340 0.001 0.000 0.331 92 R C 0.400 176.156 176.300 -0.907 0.000 1.067 92 R CA 0.884 56.393 56.100 -0.984 0.000 0.962 92 R CB -1.117 28.481 30.300 -1.170 0.000 0.987 92 R HN 0.665 nan 8.270 nan 0.000 0.451 93 A N 1.774 123.963 122.820 -1.052 0.000 3.988 93 A HA -0.177 4.143 4.320 0.001 0.000 0.193 93 A C 0.481 177.981 177.584 -0.139 0.000 1.133 93 A CA 0.577 52.381 52.037 -0.388 0.000 1.690 93 A CB -2.011 17.108 19.000 0.199 0.000 0.802 93 A HN 0.757 nan 8.150 nan 0.000 0.729 94 S N 0.082 115.693 115.700 -0.149 0.000 2.606 94 S HA 0.640 5.111 4.470 0.001 0.000 0.257 94 S C 1.653 176.301 174.600 0.079 0.000 1.327 94 S CA 0.532 58.730 58.200 -0.004 0.000 0.984 94 S CB 1.023 64.230 63.200 0.012 0.000 0.941 94 S HN 1.985 nan 8.310 nan 0.000 0.576 95 A N 1.514 124.380 122.820 0.077 0.000 1.873 95 A HA -0.113 4.207 4.320 0.001 0.000 0.218 95 A C 2.449 180.139 177.584 0.178 0.000 1.193 95 A CA 2.488 54.594 52.037 0.115 0.000 0.629 95 A CB -1.679 17.364 19.000 0.072 0.000 0.826 95 A HN 1.562 nan 8.150 nan 0.000 0.447 96 S N -2.368 113.405 115.700 0.122 0.000 2.593 96 S HA -0.002 4.468 4.470 0.001 0.000 0.217 96 S C 1.492 176.139 174.600 0.079 0.000 0.966 96 S CA 0.628 58.893 58.200 0.108 0.000 0.914 96 S CB -0.596 62.649 63.200 0.074 0.000 0.776 96 S HN 0.575 nan 8.310 nan 0.000 0.523 97 Y N 1.538 121.780 120.300 -0.096 0.000 2.293 97 Y HA -0.002 4.548 4.550 0.001 0.000 0.291 97 Y C 1.106 176.888 175.900 -0.197 0.000 1.137 97 Y CA 1.325 59.297 58.100 -0.213 0.000 1.202 97 Y CB -0.205 37.956 38.460 -0.499 0.000 0.990 97 Y HN 0.375 nan 8.280 nan 0.000 0.537 98 Y N -0.015 120.363 120.300 0.130 0.000 2.482 98 Y HA 0.116 4.666 4.550 0.001 0.000 0.270 98 Y C 1.445 177.418 175.900 0.121 0.000 1.152 98 Y CA 0.371 58.520 58.100 0.081 0.000 1.292 98 Y CB -0.092 38.410 38.460 0.069 0.000 1.070 98 Y HN 0.177 nan 8.280 nan 0.000 0.528 99 E N 0.284 120.593 120.200 0.182 0.000 2.437 99 E HA 0.061 4.412 4.350 0.001 0.000 0.189 99 E C -0.126 176.411 176.600 -0.106 0.000 1.054 99 E CA 0.066 56.512 56.400 0.076 0.000 0.874 99 E CB 0.177 29.942 29.700 0.109 0.000 1.011 99 E HN 0.533 nan 8.360 nan 0.000 0.474 100 Q N -0.328 119.365 119.800 -0.178 0.000 2.399 100 Q HA 0.397 4.737 4.340 0.001 0.000 0.276 100 Q C -1.127 174.589 176.000 -0.474 0.000 1.098 100 Q CA -0.856 54.740 55.803 -0.346 0.000 0.827 100 Q CB 1.561 30.075 28.738 -0.373 0.000 1.386 100 Q HN 0.073 nan 8.270 nan 0.000 0.443 101 Y N 0.226 120.383 120.300 -0.238 0.000 2.376 101 Y HA 0.372 4.922 4.550 0.001 0.000 0.325 101 Y C 0.104 175.823 175.900 -0.301 0.000 1.199 101 Y CA -0.323 57.705 58.100 -0.121 0.000 1.206 101 Y CB 1.103 39.592 38.460 0.048 0.000 1.229 101 Y HN 0.402 nan 8.280 nan 0.000 0.480 102 H N -0.275 118.943 119.070 0.246 0.000 2.771 102 H HA 0.306 4.862 4.556 0.001 0.000 0.361 102 H C -0.581 174.548 175.328 -0.331 0.000 1.108 102 H CA -0.963 55.058 56.048 -0.045 0.000 1.201 102 H CB 1.987 31.627 29.762 -0.202 0.000 1.681 102 H HN 0.722 nan 8.280 nan 0.000 0.534 103 S N 1.429 116.577 115.700 -0.921 0.000 2.569 103 S HA -0.063 4.408 4.470 0.001 0.000 0.274 103 S C 1.503 175.773 174.600 -0.550 0.000 1.353 103 S CA -0.638 56.703 58.200 -1.432 0.000 1.023 103 S CB 0.948 63.429 63.200 -1.199 0.000 0.876 103 S HN 0.572 nan 8.310 nan 0.000 0.540 104 L N 1.094 122.057 121.223 -0.433 0.000 2.079 104 L HA -0.086 4.254 4.340 0.001 0.000 0.210 104 L C 1.737 178.445 176.870 -0.271 0.000 1.081 104 L CA 1.988 56.670 54.840 -0.263 0.000 0.752 104 L CB -1.249 40.677 42.059 -0.222 0.000 0.896 104 L HN 0.767 nan 8.230 nan 0.000 0.433 105 N N -1.035 117.573 118.700 -0.154 0.000 2.463 105 N HA -0.115 4.625 4.740 0.001 0.000 0.181 105 N C 1.631 177.166 175.510 0.042 0.000 1.078 105 N CA 0.559 53.632 53.050 0.038 0.000 0.902 105 N CB 0.083 38.614 38.487 0.073 0.000 0.970 105 N HN 0.457 nan 8.380 nan 0.000 0.451 106 E N 0.460 120.633 120.200 -0.046 0.000 2.112 106 E HA 0.037 4.387 4.350 0.001 0.000 0.190 106 E C 1.627 178.293 176.600 0.109 0.000 0.979 106 E CA 0.901 57.323 56.400 0.035 0.000 0.814 106 E CB -0.137 29.582 29.700 0.031 0.000 0.762 106 E HN 0.343 nan 8.360 nan 0.000 0.460 107 I N -0.246 120.340 120.570 0.028 0.000 2.202 107 I HA -0.283 3.888 4.170 0.001 0.000 0.242 107 I C 1.804 178.074 176.117 0.256 0.000 1.091 107 I CA 1.169 62.524 61.300 0.091 0.000 1.368 107 I CB -0.288 37.639 38.000 -0.121 0.000 1.058 107 I HN 0.220 nan 8.210 nan 0.000 0.410 108 Y N 0.792 121.209 120.300 0.195 0.000 2.256 108 Y HA -0.278 4.272 4.550 0.001 0.000 0.288 108 Y C 2.878 178.911 175.900 0.222 0.000 1.155 108 Y CA 1.149 59.390 58.100 0.234 0.000 1.203 108 Y CB -0.125 38.450 38.460 0.192 0.000 0.980 108 Y HN 0.283 nan 8.280 nan 0.000 0.530 109 S N -1.540 114.363 115.700 0.337 0.000 2.425 109 S HA -0.199 4.272 4.470 0.001 0.000 0.225 109 S C 1.458 176.200 174.600 0.238 0.000 1.024 109 S CA 0.585 58.924 58.200 0.232 0.000 0.951 109 S CB -0.899 62.394 63.200 0.154 0.000 0.796 109 S HN 0.667 nan 8.310 nan 0.000 0.498 110 W N 2.501 123.859 121.300 0.098 0.000 2.425 110 W HA 0.132 4.793 4.660 0.001 0.000 0.277 110 W C 1.505 178.127 176.519 0.172 0.000 1.231 110 W CA 0.602 58.002 57.345 0.091 0.000 1.248 110 W CB -0.263 29.226 29.460 0.050 0.000 1.117 110 W HN 0.181 nan 8.180 nan 0.000 0.568 111 I N 0.413 121.117 120.570 0.223 0.000 2.202 111 I HA -0.274 3.896 4.170 0.001 0.000 0.242 111 I C 2.571 178.614 176.117 -0.124 0.000 1.091 111 I CA 1.366 62.668 61.300 0.003 0.000 1.368 111 I CB -0.595 37.587 38.000 0.304 0.000 1.058 111 I HN -0.099 nan 8.210 nan 0.000 0.410 112 E N 0.647 120.852 120.200 0.009 0.000 2.049 112 E HA -0.284 4.066 4.350 0.001 0.000 0.198 112 E C 2.071 178.626 176.600 -0.075 0.000 1.007 112 E CA 1.681 58.063 56.400 -0.030 0.000 0.809 112 E CB -0.546 29.181 29.700 0.045 0.000 0.749 112 E HN 0.468 nan 8.360 nan 0.000 0.450 113 F N 0.609 120.439 119.950 -0.200 0.000 2.171 113 F HA -0.201 4.327 4.527 0.001 0.000 0.300 113 F C 2.203 177.831 175.800 -0.285 0.000 1.090 113 F CA 0.910 58.778 58.000 -0.221 0.000 1.293 113 F CB -0.049 38.825 39.000 -0.209 0.000 1.013 113 F HN -0.033 nan 8.300 nan 0.000 0.486 114 I N -0.170 120.134 120.570 -0.444 0.000 2.277 114 I HA -0.176 3.995 4.170 0.001 0.000 0.243 114 I C 2.572 178.489 176.117 -0.334 0.000 1.094 114 I CA 1.632 62.630 61.300 -0.503 0.000 1.393 114 I CB -0.908 36.590 38.000 -0.837 0.000 1.078 114 I HN 0.170 nan 8.210 nan 0.000 0.417 115 T N -0.179 114.192 114.554 -0.304 0.000 2.849 115 T HA -0.186 4.165 4.350 0.001 0.000 0.270 115 T C 1.567 176.152 174.700 -0.190 0.000 1.066 115 T CA 1.710 63.685 62.100 -0.208 0.000 1.130 115 T CB -0.141 68.615 68.868 -0.185 0.000 0.864 115 T HN 0.432 nan 8.240 nan 0.000 0.481 116 E N -0.391 119.669 120.200 -0.233 0.000 2.447 116 E HA 0.135 4.486 4.350 0.001 0.000 0.195 116 E C 2.186 178.601 176.600 -0.307 0.000 1.028 116 E CA 0.092 56.355 56.400 -0.228 0.000 0.876 116 E CB 0.155 29.734 29.700 -0.201 0.000 0.885 116 E HN 0.273 nan 8.360 nan 0.000 0.500 117 R N 0.354 120.607 120.500 -0.412 0.000 2.254 117 R HA 0.040 4.381 4.340 0.001 0.000 0.195 117 R C 0.305 176.182 176.300 -0.706 0.000 0.957 117 R CA 0.643 56.403 56.100 -0.567 0.000 1.024 117 R CB 0.494 30.345 30.300 -0.749 0.000 0.952 117 R HN 0.209 nan 8.270 nan 0.000 0.484 118 H N -0.642 118.258 119.070 -0.283 0.000 3.038 118 H HA 0.171 4.727 4.556 0.001 0.000 0.223 118 H C -2.108 173.106 175.328 -0.189 0.000 1.400 118 H CA -1.176 54.735 56.048 -0.228 0.000 1.153 118 H CB 1.566 31.187 29.762 -0.235 0.000 2.234 118 H HN 0.184 nan 8.280 nan 0.000 0.541 119 P HA -0.198 nan 4.420 nan 0.000 0.218 119 P C 1.095 178.353 177.300 -0.070 0.000 1.148 119 P CA 1.561 64.608 63.100 -0.088 0.000 0.822 119 P CB 0.210 31.851 31.700 -0.098 0.000 0.784 120 D N -1.005 119.346 120.400 -0.081 0.000 2.190 120 D HA -0.200 4.440 4.640 0.001 0.000 0.200 120 D C 1.937 178.180 176.300 -0.094 0.000 0.992 120 D CA 1.602 55.553 54.000 -0.082 0.000 0.854 120 D CB -0.815 39.927 40.800 -0.096 0.000 0.936 120 D HN 0.209 nan 8.370 nan 0.000 0.462 121 M N -0.743 118.794 119.600 -0.104 0.000 2.962 121 M HA 0.238 4.718 4.480 0.001 0.000 0.242 121 M C 0.342 176.604 176.300 -0.063 0.000 1.396 121 M CA 0.075 55.301 55.300 -0.123 0.000 1.287 121 M CB 0.426 32.911 32.600 -0.192 0.000 1.168 121 M HN -0.098 nan 8.290 nan 0.000 0.557 122 L N 0.855 122.042 121.223 -0.060 0.000 2.350 122 L HA 0.297 4.637 4.340 0.001 0.000 0.275 122 L C -0.644 176.208 176.870 -0.029 0.000 1.099 122 L CA -0.235 54.578 54.840 -0.044 0.000 0.808 122 L CB 1.104 43.108 42.059 -0.091 0.000 1.149 122 L HN 0.128 nan 8.230 nan 0.000 0.442 123 T N 2.052 116.611 114.554 0.008 0.000 2.985 123 T HA 0.166 4.516 4.350 0.001 0.000 0.315 123 T C -0.352 174.362 174.700 0.023 0.000 1.001 123 T CA -0.729 61.384 62.100 0.021 0.000 1.016 123 T CB 1.123 70.036 68.868 0.075 0.000 0.993 123 T HN 0.417 nan 8.240 nan 0.000 0.454 124 K N 4.363 124.734 120.400 -0.048 0.000 2.402 124 K HA 0.367 4.687 4.320 0.001 0.000 0.285 124 K C -0.279 176.296 176.600 -0.041 0.000 1.054 124 K CA -0.233 55.991 56.287 -0.106 0.000 1.001 124 K CB 0.146 32.486 32.500 -0.267 0.000 0.946 124 K HN 0.743 nan 8.250 nan 0.000 0.473 125 I N 3.546 124.148 120.570 0.054 0.000 2.478 125 I HA 0.209 4.379 4.170 0.001 0.000 0.287 125 I C -0.839 175.424 176.117 0.243 0.000 1.042 125 I CA -0.826 60.559 61.300 0.141 0.000 1.067 125 I CB 1.490 39.598 38.000 0.180 0.000 1.233 125 I HN 0.664 nan 8.210 nan 0.000 0.431 126 H N 8.309 127.505 119.070 0.209 0.000 2.944 126 H HA 0.268 4.825 4.556 0.001 0.000 0.278 126 H C 0.414 175.864 175.328 0.205 0.000 1.083 126 H CA 0.217 56.454 56.048 0.316 0.000 1.479 126 H CB 1.411 31.352 29.762 0.298 0.000 1.486 126 H HN 0.919 nan 8.280 nan 0.000 0.493 127 I N 2.012 122.512 120.570 -0.118 0.000 4.057 127 I HA 0.467 4.637 4.170 0.001 0.000 0.334 127 I C 0.554 176.580 176.117 -0.151 0.000 1.308 127 I CA 0.127 61.397 61.300 -0.051 0.000 1.125 127 I CB 0.842 38.836 38.000 -0.010 0.000 1.034 127 I HN 0.592 nan 8.210 nan 0.000 0.401 128 G N 0.395 108.917 108.800 -0.464 0.000 2.320 128 G HA2 0.333 4.294 3.960 0.001 0.000 0.297 128 G HA3 0.333 4.294 3.960 0.001 0.000 0.297 128 G C -1.608 173.148 174.900 -0.241 0.000 1.344 128 G CA -0.496 44.435 45.100 -0.282 0.000 0.851 128 G HN 0.068 nan 8.290 nan 0.000 0.567 129 S N -0.167 115.518 115.700 -0.024 0.000 2.482 129 S HA 0.761 5.231 4.470 0.001 0.000 0.303 129 S C 0.636 175.284 174.600 0.079 0.000 1.091 129 S CA 0.005 58.237 58.200 0.053 0.000 1.057 129 S CB 1.539 64.790 63.200 0.087 0.000 1.031 129 S HN 1.569 nan 8.310 nan 0.000 0.485 130 S N 2.151 117.925 115.700 0.123 0.000 2.625 130 S HA 0.338 4.808 4.470 0.001 0.000 0.258 130 S C 0.893 175.613 174.600 0.200 0.000 1.256 130 S CA -0.371 57.940 58.200 0.184 0.000 0.983 130 S CB -0.128 63.218 63.200 0.245 0.000 1.032 130 S HN 0.567 nan 8.310 nan 0.000 0.572 131 F N 1.295 121.310 119.950 0.109 0.000 2.060 131 F HA 0.103 4.631 4.527 0.001 0.000 0.295 131 F C 2.319 178.164 175.800 0.074 0.000 1.120 131 F CA 1.765 59.813 58.000 0.081 0.000 1.205 131 F CB -0.732 38.303 39.000 0.058 0.000 0.986 131 F HN 0.734 nan 8.300 nan 0.000 0.470 132 E N 0.661 120.965 120.200 0.174 0.000 2.527 132 E HA -0.131 4.219 4.350 0.001 0.000 0.204 132 E C -0.126 176.463 176.600 -0.018 0.000 1.132 132 E CA 0.351 56.800 56.400 0.082 0.000 0.905 132 E CB -0.333 29.540 29.700 0.287 0.000 0.875 132 E HN 0.314 nan 8.360 nan 0.000 0.548 133 K N 0.050 120.436 120.400 -0.025 0.000 3.393 133 K HA -0.214 4.106 4.320 0.001 0.000 0.272 133 K C -1.093 175.407 176.600 -0.166 0.000 1.004 133 K CA 0.312 56.547 56.287 -0.086 0.000 0.764 133 K CB -1.361 31.044 32.500 -0.158 0.000 1.373 133 K HN 0.218 nan 8.250 nan 0.000 0.458 134 Y N 0.175 120.493 120.300 0.030 0.000 2.568 134 Y HA 0.489 5.039 4.550 0.001 0.000 0.327 134 Y C -1.923 173.965 175.900 -0.020 0.000 1.163 134 Y CA -2.225 55.886 58.100 0.019 0.000 1.219 134 Y CB 1.162 39.716 38.460 0.156 0.000 1.308 134 Y HN 0.060 nan 8.280 nan 0.000 0.503 135 P HA 0.341 nan 4.420 nan 0.000 0.301 135 P C -1.519 175.634 177.300 -0.246 0.000 1.337 135 P CA -0.477 62.550 63.100 -0.122 0.000 0.889 135 P CB 1.393 32.936 31.700 -0.261 0.000 1.050 136 L N 4.141 125.243 121.223 -0.201 0.000 2.265 136 L HA 0.431 4.771 4.340 0.001 0.000 0.288 136 L C -0.127 176.685 176.870 -0.097 0.000 1.058 136 L CA -0.696 54.076 54.840 -0.114 0.000 0.809 136 L CB -0.051 41.989 42.059 -0.032 0.000 1.179 136 L HN 0.310 nan 8.230 nan 0.000 0.429 137 Y N 2.125 122.508 120.300 0.139 0.000 2.487 137 Y HA 0.629 5.180 4.550 0.001 0.000 0.337 137 Y C 0.036 175.961 175.900 0.042 0.000 1.076 137 Y CA -1.371 56.794 58.100 0.108 0.000 1.115 137 Y CB 2.121 40.687 38.460 0.177 0.000 1.235 137 Y HN 0.135 nan 8.280 nan 0.000 0.468 138 V N 4.242 124.261 119.914 0.175 0.000 2.444 138 V HA 0.343 4.463 4.120 0.001 0.000 0.294 138 V C -0.408 175.748 176.094 0.103 0.000 1.022 138 V CA -0.999 61.323 62.300 0.037 0.000 0.850 138 V CB 1.531 33.249 31.823 -0.174 0.000 0.992 138 V HN 0.543 nan 8.190 nan 0.000 0.426 139 L N 4.487 125.777 121.223 0.111 0.000 2.313 139 L HA 0.418 4.758 4.340 0.001 0.000 0.282 139 L C 0.554 177.534 176.870 0.184 0.000 1.092 139 L CA -0.173 54.741 54.840 0.123 0.000 0.831 139 L CB 0.733 42.860 42.059 0.113 0.000 1.159 139 L HN 0.640 nan 8.230 nan 0.000 0.442 140 K N 3.918 124.453 120.400 0.226 0.000 2.250 140 K HA 0.275 4.596 4.320 0.001 0.000 0.285 140 K C -0.776 175.892 176.600 0.112 0.000 1.097 140 K CA -0.526 55.899 56.287 0.230 0.000 0.913 140 K CB 0.706 33.403 32.500 0.328 0.000 1.179 140 K HN 0.381 nan 8.250 nan 0.000 0.462 141 V N 4.357 124.346 119.914 0.126 0.000 2.470 141 V HA 0.102 4.222 4.120 0.001 0.000 0.276 141 V C 0.156 176.314 176.094 0.108 0.000 1.040 141 V CA -0.257 62.116 62.300 0.122 0.000 1.008 141 V CB 0.546 32.497 31.823 0.213 0.000 0.990 141 V HN 0.888 nan 8.190 nan 0.000 0.477 142 S N 3.326 119.053 115.700 0.044 0.000 2.599 142 S HA 0.797 5.267 4.470 0.001 0.000 0.287 142 S C 0.026 174.630 174.600 0.007 0.000 1.105 142 S CA -0.372 57.849 58.200 0.035 0.000 0.899 142 S CB 1.766 64.974 63.200 0.013 0.000 1.100 142 S HN 1.038 nan 8.310 nan 0.000 0.482 143 G N 0.580 109.413 108.800 0.054 0.000 2.441 143 G HA2 0.258 4.218 3.960 0.001 0.000 0.243 143 G HA3 0.258 4.218 3.960 0.001 0.000 0.243 143 G C 0.362 175.267 174.900 0.009 0.000 1.281 143 G CA -0.698 44.450 45.100 0.080 0.000 0.854 143 G HN 0.830 nan 8.290 nan 0.000 0.560 144 K N 0.885 121.268 120.400 -0.027 0.000 2.442 144 K HA -0.091 4.229 4.320 0.001 0.000 0.198 144 K C 2.054 178.680 176.600 0.043 0.000 1.044 144 K CA 1.120 57.392 56.287 -0.025 0.000 0.948 144 K CB 0.195 32.685 32.500 -0.017 0.000 0.762 144 K HN 0.625 nan 8.250 nan 0.000 0.472 145 E N 0.613 120.862 120.200 0.081 0.000 2.072 145 E HA -0.072 4.278 4.350 0.001 0.000 0.190 145 E C -0.289 176.337 176.600 0.043 0.000 0.982 145 E CA 0.385 56.826 56.400 0.068 0.000 0.803 145 E CB 0.208 29.958 29.700 0.082 0.000 0.755 145 E HN 0.078 nan 8.360 nan 0.000 0.453 146 Q N 0.240 120.063 119.800 0.038 0.000 2.438 146 Q HA -0.163 4.177 4.340 0.001 0.000 0.356 146 Q C -0.911 175.107 176.000 0.029 0.000 1.438 146 Q CA 1.135 56.955 55.803 0.029 0.000 0.973 146 Q CB -1.926 26.825 28.738 0.022 0.000 1.151 146 Q HN 0.257 nan 8.270 nan 0.000 0.328 147 T N -1.565 113.006 114.554 0.029 0.000 3.135 147 T HA 0.538 4.889 4.350 0.001 0.000 0.357 147 T C 0.252 174.965 174.700 0.022 0.000 1.112 147 T CA 0.590 62.705 62.100 0.026 0.000 1.290 147 T CB 0.437 69.321 68.868 0.028 0.000 1.018 147 T HN 0.860 nan 8.240 nan 0.000 0.527 148 A N 3.338 126.172 122.820 0.023 0.000 2.189 148 A HA -0.180 4.141 4.320 0.001 0.000 0.272 148 A C 0.445 178.038 177.584 0.016 0.000 1.349 148 A CA 1.394 53.445 52.037 0.023 0.000 0.778 148 A CB -1.619 17.393 19.000 0.020 0.000 1.088 148 A HN 0.812 nan 8.150 nan 0.000 0.351 149 K N 0.538 120.945 120.400 0.011 0.000 2.179 149 K HA 0.495 4.815 4.320 0.001 0.000 0.238 149 K C 0.843 177.438 176.600 -0.008 0.000 1.033 149 K CA -0.729 55.553 56.287 -0.008 0.000 0.926 149 K CB 0.301 32.785 32.500 -0.026 0.000 1.151 149 K HN 0.513 nan 8.250 nan 0.000 0.492 150 N N -0.242 118.439 118.700 -0.032 0.000 2.374 150 N HA 0.602 5.342 4.740 0.001 0.000 0.284 150 N C -0.949 174.519 175.510 -0.070 0.000 1.280 150 N CA -0.327 52.706 53.050 -0.028 0.000 0.963 150 N CB 0.816 39.280 38.487 -0.038 0.000 1.141 150 N HN 0.587 nan 8.380 nan 0.000 0.565 151 A N -0.374 122.415 122.820 -0.053 0.000 2.605 151 A HA 0.627 4.947 4.320 0.001 0.000 0.294 151 A C -1.491 176.069 177.584 -0.041 0.000 1.062 151 A CA -0.576 51.390 52.037 -0.119 0.000 0.682 151 A CB 0.916 19.867 19.000 -0.081 0.000 1.278 151 A HN 0.458 nan 8.150 nan 0.000 0.410 152 I N 1.879 122.349 120.570 -0.166 0.000 2.418 152 I HA 0.287 4.458 4.170 0.001 0.000 0.287 152 I C -0.737 175.491 176.117 0.185 0.000 1.008 152 I CA -0.348 60.932 61.300 -0.032 0.000 1.104 152 I CB 1.591 39.410 38.000 -0.301 0.000 1.264 152 I HN 0.814 nan 8.210 nan 0.000 0.438 153 W N 9.002 130.411 121.300 0.182 0.000 2.335 153 W HA 0.553 5.213 4.660 0.000 0.000 0.306 153 W C -1.721 174.818 176.519 0.033 0.000 1.216 153 W CA -0.523 56.959 57.345 0.230 0.000 1.237 153 W CB 0.993 30.650 29.460 0.329 0.000 1.243 153 W HN 0.353 nan 8.180 nan 0.000 0.493 154 I N 6.789 127.024 120.570 -0.559 0.000 2.410 154 I HA 0.079 4.249 4.170 0.001 0.000 0.286 154 I C -0.274 175.353 176.117 -0.817 0.000 1.009 154 I CA -0.567 60.415 61.300 -0.531 0.000 1.111 154 I CB 1.564 39.361 38.000 -0.338 0.000 1.262 154 I HN 0.373 nan 8.210 nan 0.000 0.443 155 D N 5.328 125.376 120.400 -0.587 0.000 2.326 155 D HA 0.666 5.306 4.640 0.001 0.000 0.251 155 D C -0.809 175.400 176.300 -0.152 0.000 1.023 155 D CA -0.307 53.511 54.000 -0.302 0.000 0.966 155 D CB 1.826 42.717 40.800 0.152 0.000 1.156 155 D HN 0.375 nan 8.370 nan 0.000 0.494 156 c N -0.721 117.820 118.600 -0.099 0.000 3.171 156 c HA 0.825 5.396 4.570 0.001 0.000 0.308 156 c C 0.737 174.783 174.090 -0.074 0.000 1.334 156 c CA -0.116 56.164 56.329 -0.081 0.000 1.473 156 c CB 1.016 43.503 42.510 -0.040 0.000 1.866 156 c HN 1.105 nan 8.230 nan 0.000 0.465 157 G N 1.454 110.208 108.800 -0.076 0.000 2.323 157 G HA2 -0.231 3.729 3.960 0.001 0.000 0.292 157 G HA3 -0.231 3.729 3.960 0.001 0.000 0.292 157 G C 0.502 175.407 174.900 0.008 0.000 1.040 157 G CA 0.594 45.679 45.100 -0.024 0.000 0.942 157 G HN 0.798 nan 8.290 nan 0.000 0.506 158 I N -0.798 119.725 120.570 -0.078 0.000 2.179 158 I HA -0.086 4.085 4.170 0.001 0.000 0.242 158 I C 1.501 177.593 176.117 -0.042 0.000 1.088 158 I CA 1.302 62.557 61.300 -0.076 0.000 1.357 158 I CB -0.155 37.732 38.000 -0.187 0.000 1.051 158 I HN 0.430 nan 8.210 nan 0.000 0.409 159 H N -0.941 118.239 119.070 0.184 0.000 2.473 159 H HA 0.365 4.921 4.556 0.001 0.000 0.327 159 H C 0.884 176.332 175.328 0.201 0.000 1.105 159 H CA -0.171 55.985 56.048 0.179 0.000 1.280 159 H CB 1.688 31.563 29.762 0.189 0.000 1.450 159 H HN 0.091 nan 8.280 nan 0.000 0.492 160 A N 3.663 126.692 122.820 0.348 0.000 1.841 160 A HA -0.173 4.147 4.320 0.001 0.000 0.214 160 A C 2.172 179.954 177.584 0.330 0.000 1.195 160 A CA 1.408 53.695 52.037 0.416 0.000 0.611 160 A CB -0.416 18.860 19.000 0.460 0.000 0.835 160 A HN 0.897 nan 8.150 nan 0.000 0.443 161 R N 0.567 121.059 120.500 -0.013 0.000 2.355 161 R HA -0.078 4.263 4.340 0.001 0.000 0.219 161 R C -0.469 175.636 176.300 -0.324 0.000 1.107 161 R CA 1.242 57.091 56.100 -0.420 0.000 1.021 161 R CB -0.536 29.156 30.300 -1.013 0.000 0.852 161 R HN 0.537 nan 8.270 nan 0.000 0.475 162 E N 0.834 121.078 120.200 0.074 0.000 1.892 162 E HA -0.005 4.345 4.350 0.001 0.000 0.271 162 E C -0.417 176.436 176.600 0.422 0.000 1.146 162 E CA -0.503 56.072 56.400 0.291 0.000 1.096 162 E CB 0.121 30.033 29.700 0.354 0.000 1.155 162 E HN 0.330 nan 8.360 nan 0.000 0.458 163 W N 1.094 122.446 121.300 0.087 0.000 2.584 163 W HA -0.015 4.646 4.660 0.001 0.000 0.264 163 W C 1.648 178.302 176.519 0.225 0.000 1.264 163 W CA -0.099 57.299 57.345 0.089 0.000 1.306 163 W CB -0.061 29.191 29.460 -0.346 0.000 1.110 163 W HN 0.468 nan 8.180 nan 0.000 0.606 164 I N -0.641 120.196 120.570 0.445 0.000 3.251 164 I HA -0.081 4.090 4.170 0.001 0.000 0.277 164 I C 2.316 178.632 176.117 0.332 0.000 1.268 164 I CA 1.183 62.756 61.300 0.455 0.000 1.449 164 I CB -0.644 37.576 38.000 0.366 0.000 1.083 164 I HN -0.178 nan 8.210 nan 0.000 0.464 165 S N 1.318 117.182 115.700 0.272 0.000 2.317 165 S HA 0.063 4.534 4.470 0.001 0.000 0.212 165 S C -0.237 174.465 174.600 0.170 0.000 1.030 165 S CA 1.265 59.573 58.200 0.179 0.000 0.970 165 S CB -1.167 62.089 63.200 0.094 0.000 0.928 165 S HN 0.267 nan 8.310 nan 0.000 0.451 166 P HA -0.073 nan 4.420 nan 0.000 0.216 166 P C 1.524 178.871 177.300 0.079 0.000 1.154 166 P CA 1.791 64.882 63.100 -0.016 0.000 0.865 166 P CB -0.379 31.170 31.700 -0.253 0.000 0.789 167 A N -0.940 121.996 122.820 0.194 0.000 1.929 167 A HA -0.285 4.035 4.320 0.001 0.000 0.221 167 A C 2.173 179.905 177.584 0.247 0.000 1.211 167 A CA 2.280 54.462 52.037 0.242 0.000 0.657 167 A CB -1.941 17.267 19.000 0.347 0.000 0.827 167 A HN 0.244 nan 8.150 nan 0.000 0.462 168 F N -0.116 119.907 119.950 0.121 0.000 2.128 168 F HA -0.166 4.361 4.527 0.001 0.000 0.295 168 F C 2.557 178.472 175.800 0.192 0.000 1.100 168 F CA 1.623 59.708 58.000 0.141 0.000 1.260 168 F CB -0.650 38.392 39.000 0.070 0.000 1.009 168 F HN 0.298 nan 8.300 nan 0.000 0.476 169 c N 0.940 119.683 118.600 0.239 0.000 2.396 169 c HA -0.208 4.362 4.570 0.001 0.000 0.277 169 c C 2.792 176.905 174.090 0.039 0.000 1.231 169 c CA 1.183 57.558 56.329 0.077 0.000 1.775 169 c CB -1.403 41.130 42.510 0.037 0.000 2.036 169 c HN 0.514 nan 8.230 nan 0.000 0.484 170 L N -1.316 119.880 121.223 -0.046 0.000 1.937 170 L HA -0.184 4.157 4.340 0.001 0.000 0.213 170 L C 2.460 179.249 176.870 -0.134 0.000 1.077 170 L CA 2.159 56.864 54.840 -0.226 0.000 0.758 170 L CB -1.068 40.758 42.059 -0.389 0.000 0.888 170 L HN 0.505 nan 8.230 nan 0.000 0.433 171 W N 0.551 121.690 121.300 -0.270 0.000 2.235 171 W HA -0.406 4.254 4.660 0.001 0.000 0.330 171 W C 2.574 178.847 176.519 -0.410 0.000 1.329 171 W CA 2.391 59.499 57.345 -0.395 0.000 1.337 171 W CB -0.531 28.800 29.460 -0.215 0.000 1.115 171 W HN 0.144 nan 8.180 nan 0.000 0.491 172 F N 0.297 120.184 119.950 -0.106 0.000 2.051 172 F HA -0.232 4.295 4.527 0.001 0.000 0.296 172 F C 2.292 178.021 175.800 -0.118 0.000 1.122 172 F CA 2.595 60.536 58.000 -0.097 0.000 1.201 172 F CB -0.971 37.817 39.000 -0.354 0.000 0.978 172 F HN -0.168 nan 8.300 nan 0.000 0.472 173 I N 0.302 121.014 120.570 0.236 0.000 2.208 173 I HA -0.285 3.886 4.170 0.001 0.000 0.245 173 I C 2.690 178.714 176.117 -0.156 0.000 1.097 173 I CA 1.539 62.914 61.300 0.125 0.000 1.363 173 I CB -1.400 36.828 38.000 0.379 0.000 1.051 173 I HN 0.384 nan 8.210 nan 0.000 0.413 174 G N -0.699 107.911 108.800 -0.317 0.000 2.442 174 G HA2 -0.311 3.649 3.960 0.001 0.000 0.219 174 G HA3 -0.311 3.649 3.960 0.001 0.000 0.219 174 G C 1.462 175.913 174.900 -0.747 0.000 1.141 174 G CA 0.940 45.636 45.100 -0.674 0.000 0.763 174 G HN 0.400 nan 8.290 nan 0.000 0.554 175 H N -0.500 118.021 119.070 -0.916 0.000 2.482 175 H HA 0.197 4.753 4.556 0.001 0.000 0.286 175 H C 2.453 177.329 175.328 -0.753 0.000 1.017 175 H CA 0.441 55.909 56.048 -0.966 0.000 1.322 175 H CB 0.184 29.128 29.762 -1.363 0.000 1.426 175 H HN 0.205 nan 8.280 nan 0.000 0.546 176 I N -0.354 119.901 120.570 -0.525 0.000 2.333 176 I HA -0.188 3.982 4.170 0.001 0.000 0.246 176 I C 2.050 177.967 176.117 -0.333 0.000 1.106 176 I CA 1.042 62.114 61.300 -0.380 0.000 1.411 176 I CB -1.054 36.756 38.000 -0.317 0.000 1.082 176 I HN 0.266 nan 8.210 nan 0.000 0.420 177 T N 0.918 115.225 114.554 -0.411 0.000 2.635 177 T HA -0.263 4.088 4.350 0.001 0.000 0.267 177 T C 1.935 176.396 174.700 -0.399 0.000 1.040 177 T CA 1.745 63.560 62.100 -0.476 0.000 1.156 177 T CB -0.225 68.256 68.868 -0.646 0.000 0.863 177 T HN 0.368 nan 8.240 nan 0.000 0.430 178 Q N -0.595 118.866 119.800 -0.565 0.000 2.083 178 Q HA 0.035 4.375 4.340 0.001 0.000 0.198 178 Q C 1.522 177.120 176.000 -0.670 0.000 0.969 178 Q CA 1.224 56.614 55.803 -0.688 0.000 0.838 178 Q CB -0.054 28.027 28.738 -1.094 0.000 0.900 178 Q HN 0.464 nan 8.270 nan 0.000 0.436 179 F N -1.481 118.168 119.950 -0.500 0.000 2.695 179 F HA 0.139 4.666 4.527 0.000 0.000 0.303 179 F C 0.064 175.665 175.800 -0.333 0.000 1.091 179 F CA -1.066 56.638 58.000 -0.494 0.000 1.300 179 F CB -0.217 38.292 39.000 -0.818 0.000 1.071 179 F HN 0.002 nan 8.300 nan 0.000 0.578 180 Y N 1.295 121.481 120.300 -0.189 0.000 2.805 180 Y HA 0.281 4.831 4.550 0.000 0.000 0.331 180 Y C 1.420 177.323 175.900 0.005 0.000 1.241 180 Y CA 0.814 58.883 58.100 -0.053 0.000 1.546 180 Y CB 0.230 38.656 38.460 -0.058 0.000 1.248 180 Y HN 0.387 nan 8.280 nan 0.000 0.559 181 G N 4.613 113.190 108.800 -0.372 0.000 2.184 181 G HA2 -0.319 3.641 3.960 0.001 0.000 0.264 181 G HA3 -0.319 3.641 3.960 0.001 0.000 0.264 181 G C 0.737 175.609 174.900 -0.046 0.000 0.975 181 G CA 0.649 45.630 45.100 -0.198 0.000 0.642 181 G HN 0.697 nan 8.290 nan 0.000 0.536 182 I N -0.162 120.410 120.570 0.004 0.000 2.947 182 I HA 0.335 4.505 4.170 0.001 0.000 0.263 182 I C 1.126 177.261 176.117 0.031 0.000 1.130 182 I CA 0.471 61.797 61.300 0.044 0.000 1.448 182 I CB 0.106 38.187 38.000 0.134 0.000 1.222 182 I HN 0.061 nan 8.210 nan 0.000 0.453 183 I N 1.089 121.705 120.570 0.077 0.000 2.354 183 I HA 0.265 4.435 4.170 0.001 0.000 0.292 183 I C 1.401 177.602 176.117 0.141 0.000 0.989 183 I CA -0.371 60.998 61.300 0.115 0.000 1.188 183 I CB 1.723 39.846 38.000 0.205 0.000 1.342 183 I HN 0.067 nan 8.210 nan 0.000 0.457 184 G N 3.706 112.532 108.800 0.043 0.000 2.491 184 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 184 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 184 G C 1.223 176.147 174.900 0.040 0.000 1.180 184 G CA 0.526 45.639 45.100 0.021 0.000 0.774 184 G HN 0.760 nan 8.290 nan 0.000 0.562 185 Q N -0.636 119.147 119.800 -0.028 0.000 2.366 185 Q HA -0.239 4.102 4.340 0.001 0.000 0.214 185 Q C 1.984 177.915 176.000 -0.115 0.000 0.994 185 Q CA 1.845 57.575 55.803 -0.122 0.000 0.909 185 Q CB -0.139 28.432 28.738 -0.279 0.000 0.918 185 Q HN 0.781 nan 8.270 nan 0.000 0.436 186 Y N -1.991 118.393 120.300 0.139 0.000 2.472 186 Y HA 0.071 4.622 4.550 0.000 0.000 0.288 186 Y C 2.608 178.532 175.900 0.040 0.000 1.154 186 Y CA 0.685 58.873 58.100 0.146 0.000 1.238 186 Y CB -0.590 37.938 38.460 0.114 0.000 1.287 186 Y HN -0.041 nan 8.280 nan 0.000 0.524 187 T N 1.072 115.643 114.554 0.029 0.000 2.624 187 T HA -0.271 4.080 4.350 0.001 0.000 0.266 187 T C 1.541 176.246 174.700 0.009 0.000 1.050 187 T CA 2.090 64.039 62.100 -0.250 0.000 1.163 187 T CB -0.446 68.303 68.868 -0.197 0.000 0.861 187 T HN 0.313 nan 8.240 nan 0.000 0.443 188 N N 0.867 119.643 118.700 0.127 0.000 2.207 188 N HA 0.026 4.766 4.740 0.001 0.000 0.182 188 N C 1.840 177.527 175.510 0.294 0.000 1.020 188 N CA 0.579 53.768 53.050 0.231 0.000 0.858 188 N CB -0.625 38.035 38.487 0.288 0.000 0.991 188 N HN 0.225 nan 8.380 nan 0.000 0.427 189 L N 1.600 123.032 121.223 0.348 0.000 2.012 189 L HA -0.069 4.271 4.340 0.001 0.000 0.210 189 L C 1.917 178.836 176.870 0.081 0.000 1.073 189 L CA 1.520 56.438 54.840 0.131 0.000 0.748 189 L CB -0.989 41.212 42.059 0.237 0.000 0.891 189 L HN 0.122 nan 8.230 nan 0.000 0.431 190 L N -0.938 120.425 121.223 0.233 0.000 2.109 190 L HA -0.135 4.205 4.340 0.001 0.000 0.207 190 L C 2.735 179.706 176.870 0.169 0.000 1.086 190 L CA 0.974 55.969 54.840 0.259 0.000 0.760 190 L CB -0.541 41.754 42.059 0.393 0.000 0.910 190 L HN 0.330 nan 8.230 nan 0.000 0.437 191 R N 0.392 120.995 120.500 0.171 0.000 2.208 191 R HA -0.237 4.104 4.340 0.001 0.000 0.262 191 R C 1.802 178.132 176.300 0.050 0.000 1.166 191 R CA 1.685 57.856 56.100 0.118 0.000 0.987 191 R CB -0.146 30.222 30.300 0.114 0.000 0.887 191 R HN 0.404 nan 8.270 nan 0.000 0.459 192 L N -1.234 119.981 121.223 -0.014 0.000 2.701 192 L HA 0.260 4.600 4.340 0.001 0.000 0.238 192 L C 0.024 176.815 176.870 -0.132 0.000 1.106 192 L CA -0.208 54.581 54.840 -0.086 0.000 0.898 192 L CB 1.411 43.363 42.059 -0.179 0.000 1.188 192 L HN -0.103 nan 8.230 nan 0.000 0.508 193 V N -0.334 119.499 119.914 -0.134 0.000 2.969 193 V HA 0.394 4.514 4.120 0.001 0.000 0.304 193 V C -1.697 174.286 176.094 -0.184 0.000 1.192 193 V CA -0.734 61.440 62.300 -0.210 0.000 0.962 193 V CB 2.814 34.422 31.823 -0.359 0.000 1.045 193 V HN -0.050 nan 8.190 nan 0.000 0.428 194 D N 4.133 124.399 120.400 -0.225 0.000 2.225 194 D HA 0.479 5.120 4.640 0.001 0.000 0.249 194 D C -0.896 175.182 176.300 -0.370 0.000 1.052 194 D CA 0.319 54.206 54.000 -0.188 0.000 0.909 194 D CB 1.591 42.244 40.800 -0.245 0.000 1.186 194 D HN 0.329 nan 8.370 nan 0.000 0.431 195 F N 0.887 120.749 119.950 -0.147 0.000 2.443 195 F HA 0.287 4.814 4.527 0.000 0.000 0.335 195 F C -0.111 175.546 175.800 -0.239 0.000 1.104 195 F CA -0.792 57.146 58.000 -0.103 0.000 1.013 195 F CB 0.955 40.008 39.000 0.087 0.000 1.136 195 F HN 0.136 nan 8.300 nan 0.000 0.470 196 Y N 2.304 122.755 120.300 0.250 0.000 2.385 196 Y HA 0.524 5.075 4.550 0.001 0.000 0.341 196 Y C -0.372 175.420 175.900 -0.181 0.000 0.965 196 Y CA -1.135 57.063 58.100 0.163 0.000 1.180 196 Y CB 1.176 39.915 38.460 0.464 0.000 1.139 196 Y HN 0.175 nan 8.280 nan 0.000 0.502 197 V N 5.790 125.671 119.914 -0.054 0.000 2.313 197 V HA 0.297 4.418 4.120 0.001 0.000 0.278 197 V C -0.165 175.771 176.094 -0.264 0.000 1.017 197 V CA -0.831 61.329 62.300 -0.233 0.000 0.823 197 V CB 1.150 32.931 31.823 -0.071 0.000 1.010 197 V HN 0.793 nan 8.190 nan 0.000 0.443 198 M N 8.796 128.107 119.600 -0.483 0.000 2.055 198 M HA 0.431 4.911 4.480 0.001 0.000 0.347 198 M C -1.964 174.256 176.300 -0.134 0.000 1.123 198 M CA -1.651 53.488 55.300 -0.269 0.000 1.035 198 M CB 2.097 34.522 32.600 -0.292 0.000 1.484 198 M HN 0.303 nan 8.290 nan 0.000 0.428 199 P HA 0.101 nan 4.420 nan 0.000 0.245 199 P C -0.568 176.668 177.300 -0.106 0.000 1.203 199 P CA 0.360 63.436 63.100 -0.040 0.000 0.792 199 P CB 0.376 32.098 31.700 0.036 0.000 0.997 200 V N 0.234 120.094 119.914 -0.091 0.000 2.722 200 V HA 0.050 4.171 4.120 0.001 0.000 0.260 200 V C 1.251 177.329 176.094 -0.027 0.000 0.941 200 V CA -0.221 61.992 62.300 -0.145 0.000 0.888 200 V CB 1.444 33.088 31.823 -0.299 0.000 1.059 200 V HN -0.296 nan 8.190 nan 0.000 0.486 201 V N 2.094 122.025 119.914 0.028 0.000 2.307 201 V HA -0.083 4.037 4.120 0.001 0.000 0.245 201 V C 1.379 177.539 176.094 0.111 0.000 1.045 201 V CA 2.044 64.406 62.300 0.104 0.000 1.024 201 V CB -0.192 31.729 31.823 0.164 0.000 0.651 201 V HN 0.861 nan 8.190 nan 0.000 0.449 202 N N 0.251 119.021 118.700 0.117 0.000 3.105 202 N HA 0.155 4.896 4.740 0.001 0.000 0.256 202 N C 0.512 176.135 175.510 0.188 0.000 1.174 202 N CA 0.044 53.195 53.050 0.169 0.000 1.030 202 N CB 0.908 39.521 38.487 0.210 0.000 1.305 202 N HN 0.035 nan 8.380 nan 0.000 0.509 203 V N 1.297 121.293 119.914 0.138 0.000 2.307 203 V HA -0.184 3.937 4.120 0.001 0.000 0.245 203 V C 1.514 177.670 176.094 0.104 0.000 1.045 203 V CA 1.498 63.853 62.300 0.091 0.000 1.024 203 V CB -0.419 31.438 31.823 0.055 0.000 0.651 203 V HN 0.493 nan 8.190 nan 0.000 0.449 204 D N 0.858 121.347 120.400 0.149 0.000 2.157 204 D HA -0.192 4.448 4.640 0.001 0.000 0.191 204 D C 2.126 178.535 176.300 0.182 0.000 1.004 204 D CA 1.992 56.090 54.000 0.164 0.000 0.854 204 D CB -0.615 40.323 40.800 0.230 0.000 0.936 204 D HN 0.494 nan 8.370 nan 0.000 0.446 205 G N -1.142 107.825 108.800 0.278 0.000 2.408 205 G HA2 -0.248 3.712 3.960 0.001 0.000 0.215 205 G HA3 -0.248 3.712 3.960 0.001 0.000 0.215 205 G C 1.588 176.737 174.900 0.414 0.000 1.156 205 G CA 0.384 45.729 45.100 0.409 0.000 0.793 205 G HN 0.278 nan 8.290 nan 0.000 0.535 206 Y N 1.707 122.153 120.300 0.242 0.000 2.128 206 Y HA -0.184 4.367 4.550 0.001 0.000 0.284 206 Y C 2.412 178.470 175.900 0.264 0.000 1.154 206 Y CA 2.074 60.314 58.100 0.234 0.000 1.149 206 Y CB -0.368 38.149 38.460 0.095 0.000 0.976 206 Y HN 0.308 nan 8.280 nan 0.000 0.505 207 D N -1.190 119.295 120.400 0.141 0.000 2.116 207 D HA -0.310 4.331 4.640 0.001 0.000 0.193 207 D C 2.039 178.427 176.300 0.147 0.000 0.998 207 D CA 1.797 55.827 54.000 0.048 0.000 0.836 207 D CB -0.638 40.138 40.800 -0.039 0.000 0.951 207 D HN 0.480 nan 8.370 nan 0.000 0.449 208 Y N 0.607 120.927 120.300 0.033 0.000 2.333 208 Y HA -0.146 4.404 4.550 0.001 0.000 0.290 208 Y C 2.371 178.286 175.900 0.025 0.000 1.144 208 Y CA 1.714 59.804 58.100 -0.017 0.000 1.228 208 Y CB -0.345 38.024 38.460 -0.152 0.000 0.985 208 Y HN 0.093 nan 8.280 nan 0.000 0.542 209 S N -2.057 113.710 115.700 0.112 0.000 2.406 209 S HA -0.184 4.286 4.470 0.001 0.000 0.228 209 S C 1.756 176.391 174.600 0.059 0.000 1.020 209 S CA 0.745 58.978 58.200 0.055 0.000 0.965 209 S CB -1.053 62.269 63.200 0.204 0.000 0.798 209 S HN 0.582 nan 8.310 nan 0.000 0.488 210 W N 2.336 123.657 121.300 0.035 0.000 2.379 210 W HA 0.169 4.830 4.660 0.001 0.000 0.307 210 W C 2.660 179.160 176.519 -0.031 0.000 1.200 210 W CA 0.981 58.376 57.345 0.083 0.000 1.297 210 W CB -0.005 29.390 29.460 -0.109 0.000 1.140 210 W HN 0.234 nan 8.180 nan 0.000 0.507 211 K N -0.865 119.620 120.400 0.142 0.000 2.211 211 K HA 0.035 4.355 4.320 0.001 0.000 0.201 211 K C 1.656 178.195 176.600 -0.103 0.000 1.052 211 K CA 0.910 57.225 56.287 0.048 0.000 0.973 211 K CB 0.177 32.714 32.500 0.062 0.000 0.766 211 K HN 0.061 nan 8.250 nan 0.000 0.466 212 K N -0.794 119.409 120.400 -0.329 0.000 2.763 212 K HA 0.064 4.384 4.320 0.001 0.000 0.207 212 K C -0.000 176.330 176.600 -0.450 0.000 1.532 212 K CA -0.021 56.007 56.287 -0.432 0.000 1.059 212 K CB 0.432 32.586 32.500 -0.577 0.000 1.854 212 K HN -0.138 nan 8.250 nan 0.000 0.497 213 N N 1.814 120.108 118.700 -0.676 0.000 2.816 213 N HA 0.091 4.832 4.740 0.001 0.000 0.236 213 N C 0.196 175.600 175.510 -0.178 0.000 1.076 213 N CA -0.056 52.810 53.050 -0.308 0.000 0.902 213 N CB 1.011 39.428 38.487 -0.117 0.000 1.149 213 N HN -0.057 nan 8.380 nan 0.000 0.506 214 R N 2.445 122.795 120.500 -0.250 0.000 2.316 214 R HA 0.028 4.368 4.340 0.001 0.000 0.232 214 R C 0.544 176.658 176.300 -0.311 0.000 1.137 214 R CA 1.458 57.344 56.100 -0.356 0.000 1.012 214 R CB -0.033 29.963 30.300 -0.507 0.000 0.859 214 R HN 0.531 nan 8.270 nan 0.000 0.474 215 M N -0.867 118.642 119.600 -0.151 0.000 2.560 215 M HA 0.123 4.604 4.480 0.001 0.000 0.297 215 M C -0.429 175.902 176.300 0.052 0.000 1.201 215 M CA -0.386 54.857 55.300 -0.096 0.000 0.973 215 M CB -0.580 32.010 32.600 -0.016 0.000 1.401 215 M HN 0.132 nan 8.290 nan 0.000 0.497 216 W N 1.406 122.646 121.300 -0.099 0.000 2.237 216 W HA 0.182 4.843 4.660 0.000 0.000 0.335 216 W C 0.946 177.463 176.519 -0.003 0.000 1.230 216 W CA 0.071 57.438 57.345 0.037 0.000 1.253 216 W CB 1.318 30.896 29.460 0.197 0.000 1.129 216 W HN 0.330 nan 8.180 nan 0.000 0.590 217 R N 2.043 122.195 120.500 -0.580 0.000 2.470 217 R HA 0.123 4.464 4.340 0.001 0.000 0.210 217 R C 0.237 176.437 176.300 -0.167 0.000 0.873 217 R CA 0.112 56.031 56.100 -0.303 0.000 1.015 217 R CB 0.344 30.433 30.300 -0.350 0.000 1.348 217 R HN 0.296 nan 8.270 nan 0.000 0.650 218 K N 0.878 120.933 120.400 -0.574 0.000 2.399 218 K HA 0.159 4.479 4.320 0.001 0.000 0.247 218 K C 0.129 176.917 176.600 0.314 0.000 1.036 218 K CA -0.818 55.408 56.287 -0.102 0.000 0.977 218 K CB 0.206 32.589 32.500 -0.196 0.000 1.272 218 K HN -0.071 nan 8.250 nan 0.000 0.501 219 N N 1.126 120.013 118.700 0.312 0.000 2.256 219 N HA -0.044 4.696 4.740 0.001 0.000 0.252 219 N C -0.106 175.645 175.510 0.402 0.000 1.274 219 N CA 0.720 53.961 53.050 0.318 0.000 0.872 219 N CB 0.362 38.963 38.487 0.190 0.000 0.982 219 N HN 0.343 nan 8.380 nan 0.000 0.445 220 R N -0.579 120.034 120.500 0.188 0.000 2.635 220 R HA 0.213 4.553 4.340 0.001 0.000 0.393 220 R C -0.817 175.400 176.300 -0.137 0.000 1.070 220 R CA -0.277 55.857 56.100 0.055 0.000 1.118 220 R CB 0.114 30.393 30.300 -0.035 0.000 1.341 220 R HN 0.298 nan 8.270 nan 0.000 0.628 221 S N 1.293 116.802 115.700 -0.318 0.000 2.499 221 S HA 0.300 4.770 4.470 0.001 0.000 0.275 221 S C -0.447 173.733 174.600 -0.700 0.000 1.257 221 S CA -0.366 57.236 58.200 -0.997 0.000 1.050 221 S CB 0.833 63.548 63.200 -0.807 0.000 0.937 221 S HN 0.275 nan 8.310 nan 0.000 0.490 222 F N 3.600 122.999 119.950 -0.918 0.000 2.436 222 F HA 0.615 5.142 4.527 0.001 0.000 0.340 222 F C -0.905 174.535 175.800 -0.600 0.000 1.113 222 F CA -0.593 57.121 58.000 -0.477 0.000 1.022 222 F CB 0.602 39.483 39.000 -0.199 0.000 1.128 222 F HN 0.514 nan 8.300 nan 0.000 0.466 223 Y N 3.175 123.323 120.300 -0.254 0.000 2.753 223 Y HA 0.642 5.192 4.550 0.001 0.000 0.324 223 Y C 1.056 176.891 175.900 -0.109 0.000 1.147 223 Y CA -0.530 57.532 58.100 -0.064 0.000 1.173 223 Y CB 0.435 38.872 38.460 -0.038 0.000 1.361 223 Y HN 0.647 nan 8.280 nan 0.000 0.545 224 A N 0.872 123.816 122.820 0.206 0.000 2.021 224 A HA -0.253 4.067 4.320 0.001 0.000 0.206 224 A C 0.998 178.591 177.584 0.015 0.000 1.210 224 A CA 2.464 54.578 52.037 0.129 0.000 0.733 224 A CB -0.987 18.081 19.000 0.114 0.000 0.839 224 A HN 0.811 nan 8.150 nan 0.000 0.495 225 N N 0.392 119.077 118.700 -0.024 0.000 2.273 225 N HA 0.126 4.866 4.740 0.001 0.000 0.231 225 N C -0.985 174.422 175.510 -0.172 0.000 1.134 225 N CA -0.008 52.985 53.050 -0.096 0.000 0.856 225 N CB 0.036 38.496 38.487 -0.044 0.000 1.068 225 N HN 0.648 nan 8.380 nan 0.000 0.510 226 N N -0.414 118.173 118.700 -0.190 0.000 2.479 226 N HA 0.087 4.828 4.740 0.001 0.000 0.285 226 N C 0.315 175.652 175.510 -0.288 0.000 1.075 226 N CA -0.247 52.695 53.050 -0.180 0.000 0.967 226 N CB 0.585 38.970 38.487 -0.171 0.000 1.137 226 N HN 0.068 nan 8.380 nan 0.000 0.472 227 H N -0.278 118.682 119.070 -0.183 0.000 2.545 227 H HA 0.169 4.725 4.556 0.001 0.000 0.282 227 H C -0.043 175.201 175.328 -0.140 0.000 1.020 227 H CA 0.530 56.501 56.048 -0.128 0.000 1.243 227 H CB 0.282 30.004 29.762 -0.067 0.000 1.377 227 H HN 0.496 nan 8.280 nan 0.000 0.581 228 c N -0.310 118.217 118.600 -0.121 0.000 2.771 228 c HA 0.508 5.078 4.570 0.001 0.000 0.333 228 c C 0.340 174.351 174.090 -0.132 0.000 1.267 228 c CA -1.050 55.235 56.329 -0.074 0.000 1.721 228 c CB 1.619 44.097 42.510 -0.053 0.000 2.222 228 c HN 0.222 nan 8.230 nan 0.000 0.485 229 I N 1.871 122.475 120.570 0.057 0.000 2.392 229 I HA 0.611 4.782 4.170 0.001 0.000 0.295 229 I C 0.589 176.848 176.117 0.236 0.000 0.985 229 I CA 0.783 62.151 61.300 0.114 0.000 1.221 229 I CB 1.073 39.167 38.000 0.157 0.000 1.366 229 I HN 1.003 nan 8.210 nan 0.000 0.467 230 G N 3.640 112.543 108.800 0.173 0.000 2.663 230 G HA2 -0.065 3.895 3.960 0.001 0.000 0.686 230 G HA3 -0.065 3.895 3.960 0.001 0.000 0.686 230 G C -0.736 174.342 174.900 0.297 0.000 1.246 230 G CA -0.981 44.286 45.100 0.278 0.000 0.795 230 G HN 0.613 nan 8.290 nan 0.000 0.627 231 T N 1.185 115.910 114.554 0.285 0.000 3.143 231 T HA 0.400 4.750 4.350 0.001 0.000 0.312 231 T C -0.716 174.089 174.700 0.174 0.000 0.986 231 T CA -0.447 61.839 62.100 0.310 0.000 1.024 231 T CB 1.708 70.706 68.868 0.218 0.000 1.030 231 T HN 0.839 nan 8.240 nan 0.000 0.448 232 D N 3.308 123.796 120.400 0.147 0.000 2.389 232 D HA 0.034 4.674 4.640 0.001 0.000 0.263 232 D C 1.225 177.636 176.300 0.184 0.000 1.255 232 D CA -0.057 54.046 54.000 0.171 0.000 0.914 232 D CB 0.633 41.526 40.800 0.155 0.000 1.116 232 D HN 0.499 nan 8.370 nan 0.000 0.502 233 L N 3.597 124.939 121.223 0.199 0.000 2.265 233 L HA -0.160 4.180 4.340 0.001 0.000 0.215 233 L C 1.588 178.618 176.870 0.266 0.000 1.117 233 L CA 0.599 55.535 54.840 0.161 0.000 0.782 233 L CB -0.292 41.853 42.059 0.142 0.000 0.914 233 L HN 0.320 nan 8.230 nan 0.000 0.441 234 N N -0.034 118.853 118.700 0.312 0.000 2.346 234 N HA 0.002 4.742 4.740 0.001 0.000 0.225 234 N C 0.858 176.555 175.510 0.312 0.000 1.144 234 N CA 0.207 53.475 53.050 0.364 0.000 0.837 234 N CB 0.214 38.898 38.487 0.328 0.000 1.069 234 N HN 0.084 nan 8.380 nan 0.000 0.487 235 R N -1.210 119.450 120.500 0.267 0.000 2.541 235 R HA 0.230 4.570 4.340 0.001 0.000 0.332 235 R C 0.790 177.273 176.300 0.306 0.000 0.951 235 R CA -0.132 56.085 56.100 0.195 0.000 1.136 235 R CB -0.222 30.115 30.300 0.060 0.000 1.449 235 R HN 0.289 nan 8.270 nan 0.000 0.531 236 N N 0.115 118.993 118.700 0.298 0.000 2.436 236 N HA 0.079 4.819 4.740 0.001 0.000 0.178 236 N C -0.086 175.463 175.510 0.065 0.000 1.026 236 N CA -0.025 53.157 53.050 0.219 0.000 0.880 236 N CB 0.312 38.773 38.487 -0.045 0.000 1.061 236 N HN -0.110 nan 8.380 nan 0.000 0.434 237 F N 1.784 121.717 119.950 -0.028 0.000 2.568 237 F HA -0.102 4.426 4.527 0.000 0.000 0.394 237 F C 1.112 176.832 175.800 -0.135 0.000 1.032 237 F CA -0.125 57.736 58.000 -0.230 0.000 1.242 237 F CB 0.340 39.228 39.000 -0.186 0.000 0.966 237 F HN 0.056 nan 8.300 nan 0.000 0.560 238 A N 4.113 126.824 122.820 -0.181 0.000 2.899 238 A HA 0.333 4.654 4.320 0.001 0.000 0.287 238 A C 0.516 178.292 177.584 0.321 0.000 1.715 238 A CA 0.125 52.154 52.037 -0.014 0.000 1.393 238 A CB -0.887 18.076 19.000 -0.063 0.000 1.070 238 A HN 0.711 nan 8.150 nan 0.000 0.587 239 S N 1.564 117.500 115.700 0.393 0.000 2.669 239 S HA 0.314 4.785 4.470 0.001 0.000 0.270 239 S C 1.197 175.910 174.600 0.188 0.000 1.225 239 S CA -0.500 57.958 58.200 0.430 0.000 0.991 239 S CB 0.856 64.372 63.200 0.527 0.000 0.987 239 S HN 0.527 nan 8.310 nan 0.000 0.552 240 K N 0.527 120.868 120.400 -0.098 0.000 2.032 240 K HA -0.130 4.190 4.320 0.001 0.000 0.209 240 K C 0.630 176.966 176.600 -0.441 0.000 1.048 240 K CA 1.736 57.744 56.287 -0.464 0.000 0.927 240 K CB -0.549 31.365 32.500 -0.978 0.000 0.712 240 K HN 0.770 nan 8.250 nan 0.000 0.441 241 H N -1.404 117.435 119.070 -0.386 0.000 2.533 241 H HA 0.040 4.596 4.556 0.001 0.000 0.281 241 H C -0.608 174.737 175.328 0.027 0.000 1.238 241 H CA -1.070 54.882 56.048 -0.161 0.000 1.024 241 H CB -0.243 29.400 29.762 -0.199 0.000 1.604 241 H HN 0.152 nan 8.280 nan 0.000 0.531 242 W N 0.248 121.570 121.300 0.036 0.000 2.470 242 W HA -0.195 4.465 4.660 0.001 0.000 0.341 242 W C 0.891 177.435 176.519 0.041 0.000 1.199 242 W CA 0.350 57.725 57.345 0.050 0.000 1.339 242 W CB 0.324 29.802 29.460 0.030 0.000 1.178 242 W HN 0.464 nan 8.180 nan 0.000 0.578 243 c N 4.381 122.383 118.600 -0.996 0.000 3.707 243 c HA -0.280 4.291 4.570 0.001 0.000 0.283 243 c C 1.271 175.137 174.090 -0.374 0.000 1.479 243 c CA 1.114 56.877 56.329 -0.944 0.000 2.015 243 c CB -2.367 39.124 42.510 -1.699 0.000 1.297 243 c HN 0.757 nan 8.230 nan 0.000 0.652 244 E N -0.153 119.934 120.200 -0.187 0.000 3.884 244 E HA 0.151 4.501 4.350 0.001 0.000 0.434 244 E C 0.301 176.834 176.600 -0.113 0.000 0.672 244 E CA -0.707 55.625 56.400 -0.114 0.000 2.669 244 E CB 0.109 29.760 29.700 -0.081 0.000 2.107 244 E HN 0.641 nan 8.360 nan 0.000 0.613 245 E N -0.282 119.866 120.200 -0.087 0.000 2.299 245 E HA 0.167 4.518 4.350 0.001 0.000 0.272 245 E C 0.072 176.644 176.600 -0.046 0.000 1.043 245 E CA 0.636 56.995 56.400 -0.070 0.000 0.895 245 E CB 0.031 29.694 29.700 -0.061 0.000 1.011 245 E HN 0.678 nan 8.360 nan 0.000 0.432 246 G N 2.544 111.308 108.800 -0.060 0.000 2.229 246 G HA2 -0.132 3.828 3.960 0.001 0.000 0.189 246 G HA3 -0.132 3.828 3.960 0.001 0.000 0.189 246 G C -0.126 174.739 174.900 -0.059 0.000 1.000 246 G CA -0.171 44.903 45.100 -0.045 0.000 0.663 246 G HN 0.863 nan 8.290 nan 0.000 0.493 247 A N -0.200 122.561 122.820 -0.099 0.000 2.386 247 A HA 0.886 5.206 4.320 0.001 0.000 0.311 247 A C -0.092 177.405 177.584 -0.145 0.000 1.068 247 A CA 0.466 52.423 52.037 -0.133 0.000 0.743 247 A CB 1.826 20.691 19.000 -0.226 0.000 1.258 247 A HN 1.203 nan 8.150 nan 0.000 0.429 248 S N 0.107 115.753 115.700 -0.091 0.000 2.541 248 S HA 0.435 4.905 4.470 0.001 0.000 0.283 248 S C 1.146 175.742 174.600 -0.006 0.000 1.196 248 S CA 0.182 58.351 58.200 -0.051 0.000 1.062 248 S CB 0.918 64.110 63.200 -0.013 0.000 1.009 248 S HN 1.459 nan 8.310 nan 0.000 0.502 249 S N 2.655 118.348 115.700 -0.011 0.000 2.634 249 S HA 0.143 4.613 4.470 0.001 0.000 0.221 249 S C 0.539 175.245 174.600 0.177 0.000 0.952 249 S CA -0.282 57.965 58.200 0.077 0.000 0.930 249 S CB -0.138 63.059 63.200 -0.005 0.000 0.780 249 S HN 0.552 nan 8.310 nan 0.000 0.498 250 S N 1.641 117.408 115.700 0.111 0.000 2.513 250 S HA 0.342 4.812 4.470 0.001 0.000 0.276 250 S C 1.135 175.702 174.600 -0.056 0.000 1.254 250 S CA -0.051 58.162 58.200 0.022 0.000 1.053 250 S CB 1.151 64.340 63.200 -0.018 0.000 0.958 250 S HN 0.540 nan 8.310 nan 0.000 0.491 251 S N 3.154 118.638 115.700 -0.360 0.000 2.561 251 S HA -0.018 4.452 4.470 0.001 0.000 0.225 251 S C 1.315 175.643 174.600 -0.452 0.000 0.977 251 S CA 0.315 57.927 58.200 -0.981 0.000 0.926 251 S CB -0.781 61.848 63.200 -0.951 0.000 0.769 251 S HN 0.750 nan 8.310 nan 0.000 0.533 252 c N 1.192 119.674 118.600 -0.197 0.000 2.674 252 c HA 0.388 4.958 4.570 0.001 0.000 0.276 252 c C 1.579 175.638 174.090 -0.052 0.000 1.300 252 c CA -0.422 55.855 56.329 -0.087 0.000 1.732 252 c CB -1.120 41.358 42.510 -0.053 0.000 2.076 252 c HN 0.650 nan 8.230 nan 0.000 0.548 253 S N 1.686 117.361 115.700 -0.042 0.000 2.563 253 S HA -0.044 4.427 4.470 0.001 0.000 0.294 253 S C 1.214 175.803 174.600 -0.019 0.000 1.279 253 S CA 0.235 58.424 58.200 -0.019 0.000 1.069 253 S CB 0.307 63.514 63.200 0.011 0.000 0.828 253 S HN 0.472 nan 8.310 nan 0.000 0.497 254 E N 2.779 122.943 120.200 -0.060 0.000 2.401 254 E HA -0.090 4.261 4.350 0.001 0.000 0.199 254 E C 1.210 177.772 176.600 -0.063 0.000 1.023 254 E CA 1.169 57.503 56.400 -0.111 0.000 0.859 254 E CB -0.277 29.346 29.700 -0.128 0.000 0.780 254 E HN 0.851 nan 8.360 nan 0.000 0.523 255 T N -1.619 112.922 114.554 -0.022 0.000 3.258 255 T HA 0.068 4.418 4.350 0.001 0.000 0.259 255 T C 0.026 174.750 174.700 0.040 0.000 0.963 255 T CA -0.668 61.431 62.100 -0.001 0.000 0.919 255 T CB -0.742 68.100 68.868 -0.044 0.000 1.110 255 T HN -0.047 nan 8.240 nan 0.000 0.550 256 Y N 2.295 122.565 120.300 -0.051 0.000 2.569 256 Y HA 0.285 4.835 4.550 0.001 0.000 0.332 256 Y C 1.514 177.404 175.900 -0.016 0.000 1.120 256 Y CA -1.977 56.098 58.100 -0.041 0.000 1.416 256 Y CB 0.205 38.656 38.460 -0.017 0.000 1.210 256 Y HN 0.568 nan 8.280 nan 0.000 0.528 257 c N 3.663 121.948 118.600 -0.524 0.000 2.562 257 c HA 0.602 5.173 4.570 0.001 0.000 0.266 257 c C 1.135 174.998 174.090 -0.377 0.000 1.382 257 c CA -0.049 56.017 56.329 -0.437 0.000 1.742 257 c CB -1.594 40.477 42.510 -0.732 0.000 1.812 257 c HN 1.381 nan 8.230 nan 0.000 0.559 258 G N 0.446 108.538 108.800 -1.181 0.000 2.730 258 G HA2 -0.132 3.828 3.960 0.001 0.000 0.686 258 G HA3 -0.132 3.828 3.960 0.001 0.000 0.686 258 G C 0.058 174.786 174.900 -0.288 0.000 1.343 258 G CA -0.264 44.405 45.100 -0.718 0.000 0.826 258 G HN 0.434 nan 8.290 nan 0.000 0.582 259 L N -0.188 120.908 121.223 -0.212 0.000 1.978 259 L HA 0.019 4.359 4.340 0.001 0.000 0.218 259 L C 1.486 178.397 176.870 0.070 0.000 1.075 259 L CA 2.451 57.239 54.840 -0.085 0.000 0.767 259 L CB -0.708 41.170 42.059 -0.301 0.000 0.890 259 L HN 0.970 nan 8.230 nan 0.000 0.434 260 Y N -5.474 114.725 120.300 -0.169 0.000 2.624 260 Y HA 0.565 5.115 4.550 0.001 0.000 0.334 260 Y C -2.957 172.550 175.900 -0.656 0.000 1.155 260 Y CA -3.518 54.283 58.100 -0.498 0.000 1.046 260 Y CB -0.090 38.146 38.460 -0.373 0.000 1.316 260 Y HN -0.287 nan 8.280 nan 0.000 0.457 261 P HA -0.025 nan 4.420 nan 0.000 0.261 261 P C -0.371 176.676 177.300 -0.421 0.000 1.165 261 P CA 1.374 64.005 63.100 -0.780 0.000 0.759 261 P CB 0.256 31.488 31.700 -0.779 0.000 0.772 262 E N 0.322 120.267 120.200 -0.425 0.000 2.971 262 E HA -0.256 4.095 4.350 0.001 0.000 0.278 262 E C 1.062 177.452 176.600 -0.350 0.000 1.009 262 E CA 0.832 57.007 56.400 -0.375 0.000 0.862 262 E CB -1.439 28.084 29.700 -0.295 0.000 1.436 262 E HN 0.599 nan 8.360 nan 0.000 0.434 263 S N -0.412 114.925 115.700 -0.604 0.000 2.355 263 S HA -0.133 4.337 4.470 0.001 0.000 0.222 263 S C 0.830 175.259 174.600 -0.286 0.000 1.031 263 S CA 0.689 58.421 58.200 -0.780 0.000 0.993 263 S CB 0.063 62.447 63.200 -1.360 0.000 0.859 263 S HN 0.183 nan 8.310 nan 0.000 0.453 264 E N 3.193 123.274 120.200 -0.199 0.000 2.417 264 E HA 0.148 4.498 4.350 0.001 0.000 0.261 264 E C -1.618 174.970 176.600 -0.021 0.000 1.000 264 E CA -2.355 54.029 56.400 -0.027 0.000 0.919 264 E CB 0.184 29.875 29.700 -0.015 0.000 0.955 264 E HN 0.302 nan 8.360 nan 0.000 0.455 265 P HA -0.145 nan 4.420 nan 0.000 0.220 265 P C 0.611 177.932 177.300 0.036 0.000 1.148 265 P CA 1.079 64.225 63.100 0.077 0.000 0.803 265 P CB 0.560 32.355 31.700 0.160 0.000 0.782 266 E N 0.060 120.289 120.200 0.048 0.000 2.031 266 E HA -0.111 4.239 4.350 0.001 0.000 0.193 266 E C 2.177 178.749 176.600 -0.047 0.000 0.994 266 E CA 1.125 57.547 56.400 0.037 0.000 0.800 266 E CB -1.186 28.561 29.700 0.079 0.000 0.752 266 E HN 0.009 nan 8.360 nan 0.000 0.447 267 V N 0.919 120.733 119.914 -0.167 0.000 2.515 267 V HA -0.227 3.894 4.120 0.001 0.000 0.250 267 V C 2.143 177.975 176.094 -0.438 0.000 1.058 267 V CA 1.539 63.559 62.300 -0.467 0.000 1.064 267 V CB -0.361 31.057 31.823 -0.674 0.000 0.675 267 V HN 0.135 nan 8.190 nan 0.000 0.461 268 K N 1.321 121.571 120.400 -0.249 0.000 1.973 268 K HA -0.134 4.186 4.320 0.001 0.000 0.212 268 K C 2.188 178.733 176.600 -0.091 0.000 1.047 268 K CA 1.899 58.085 56.287 -0.168 0.000 0.937 268 K CB -1.017 31.436 32.500 -0.078 0.000 0.721 268 K HN 0.314 nan 8.250 nan 0.000 0.440 269 A N 0.021 122.823 122.820 -0.031 0.000 1.929 269 A HA -0.245 4.075 4.320 0.001 0.000 0.221 269 A C 2.395 180.024 177.584 0.076 0.000 1.211 269 A CA 2.567 54.621 52.037 0.029 0.000 0.657 269 A CB -1.115 17.901 19.000 0.027 0.000 0.827 269 A HN 0.196 nan 8.150 nan 0.000 0.462 270 V N -1.168 118.773 119.914 0.045 0.000 2.535 270 V HA -0.040 4.080 4.120 0.001 0.000 0.246 270 V C 2.936 179.077 176.094 0.079 0.000 1.045 270 V CA 1.609 63.980 62.300 0.118 0.000 1.058 270 V CB -0.765 31.217 31.823 0.264 0.000 0.689 270 V HN 0.665 nan 8.190 nan 0.000 0.461 271 A N -0.192 122.593 122.820 -0.058 0.000 1.897 271 A HA -0.145 4.175 4.320 0.001 0.000 0.215 271 A C 2.468 180.128 177.584 0.128 0.000 1.181 271 A CA 1.950 53.943 52.037 -0.073 0.000 0.620 271 A CB -0.629 18.089 19.000 -0.469 0.000 0.821 271 A HN 0.496 nan 8.150 nan 0.000 0.443 272 S N -0.685 115.054 115.700 0.064 0.000 2.370 272 S HA -0.187 4.284 4.470 0.001 0.000 0.226 272 S C 1.684 176.351 174.600 0.112 0.000 1.033 272 S CA 1.613 59.865 58.200 0.088 0.000 1.011 272 S CB -0.580 62.660 63.200 0.068 0.000 0.852 272 S HN 0.623 nan 8.310 nan 0.000 0.457 273 F N 2.148 122.098 119.950 0.001 0.000 2.134 273 F HA -0.041 4.486 4.527 0.001 0.000 0.299 273 F C 1.763 177.534 175.800 -0.049 0.000 1.097 273 F CA 1.210 59.199 58.000 -0.019 0.000 1.264 273 F CB -0.286 38.711 39.000 -0.004 0.000 1.001 273 F HN 0.088 nan 8.300 nan 0.000 0.479 274 L N -0.407 120.817 121.223 0.002 0.000 2.131 274 L HA -0.073 4.267 4.340 0.001 0.000 0.206 274 L C 2.595 179.427 176.870 -0.064 0.000 1.087 274 L CA 0.841 55.634 54.840 -0.079 0.000 0.767 274 L CB -0.623 41.454 42.059 0.030 0.000 0.917 274 L HN -0.031 nan 8.230 nan 0.000 0.441 275 R N -0.081 120.448 120.500 0.049 0.000 2.120 275 R HA -0.171 4.169 4.340 0.001 0.000 0.234 275 R C 2.402 178.669 176.300 -0.056 0.000 1.123 275 R CA 1.265 57.378 56.100 0.022 0.000 0.975 275 R CB -0.209 30.151 30.300 0.100 0.000 0.866 275 R HN 0.281 nan 8.270 nan 0.000 0.446 276 R N 0.431 120.866 120.500 -0.108 0.000 2.093 276 R HA 0.005 4.345 4.340 0.001 0.000 0.224 276 R C 0.857 177.041 176.300 -0.193 0.000 1.101 276 R CA 1.079 57.096 56.100 -0.138 0.000 0.979 276 R CB 0.180 30.386 30.300 -0.157 0.000 0.877 276 R HN 0.192 nan 8.270 nan 0.000 0.441 277 N N 0.663 119.175 118.700 -0.314 0.000 2.279 277 N HA -0.009 4.731 4.740 0.001 0.000 0.226 277 N C 0.690 176.118 175.510 -0.137 0.000 1.126 277 N CA -0.010 52.867 53.050 -0.288 0.000 0.846 277 N CB 0.668 38.793 38.487 -0.603 0.000 1.050 277 N HN 0.157 nan 8.380 nan 0.000 0.502 278 I N 1.737 122.242 120.570 -0.109 0.000 2.394 278 I HA -0.167 4.004 4.170 0.001 0.000 0.251 278 I C 1.542 177.631 176.117 -0.047 0.000 1.136 278 I CA 1.333 62.586 61.300 -0.078 0.000 1.425 278 I CB -0.146 37.798 38.000 -0.093 0.000 1.079 278 I HN 0.163 nan 8.210 nan 0.000 0.425 279 N N -0.670 118.008 118.700 -0.035 0.000 2.409 279 N HA -0.162 4.579 4.740 0.001 0.000 0.179 279 N C 1.499 177.016 175.510 0.011 0.000 1.032 279 N CA 0.504 53.543 53.050 -0.018 0.000 0.898 279 N CB 0.083 38.559 38.487 -0.018 0.000 0.971 279 N HN 0.355 nan 8.380 nan 0.000 0.441 280 Q N 0.697 120.516 119.800 0.032 0.000 2.165 280 Q HA 0.147 4.488 4.340 0.001 0.000 0.197 280 Q C 0.136 176.203 176.000 0.113 0.000 0.952 280 Q CA 0.316 56.164 55.803 0.076 0.000 0.848 280 Q CB 0.006 28.816 28.738 0.121 0.000 0.931 280 Q HN 0.183 nan 8.270 nan 0.000 0.470 281 I N 1.942 122.599 120.570 0.145 0.000 2.742 281 I HA -0.143 4.027 4.170 0.001 0.000 0.287 281 I C 0.952 177.144 176.117 0.126 0.000 1.186 281 I CA 0.747 62.160 61.300 0.188 0.000 1.417 281 I CB 0.505 38.631 38.000 0.209 0.000 1.377 281 I HN 0.019 nan 8.210 nan 0.000 0.556 282 K N 5.067 125.553 120.400 0.143 0.000 2.391 282 K HA 0.509 4.829 4.320 0.001 0.000 0.197 282 K C -0.073 176.682 176.600 0.259 0.000 1.087 282 K CA 0.195 56.578 56.287 0.159 0.000 1.012 282 K CB 0.707 33.288 32.500 0.135 0.000 0.925 282 K HN 0.596 nan 8.250 nan 0.000 0.547 283 A N 0.556 123.536 122.820 0.266 0.000 2.520 283 A HA 0.576 4.896 4.320 0.001 0.000 0.298 283 A C -2.070 175.757 177.584 0.406 0.000 1.051 283 A CA -0.651 51.596 52.037 0.351 0.000 0.690 283 A CB 1.100 20.296 19.000 0.326 0.000 1.281 283 A HN 0.153 nan 8.150 nan 0.000 0.402 284 Y N 2.438 122.919 120.300 0.301 0.000 2.350 284 Y HA 0.749 5.299 4.550 0.001 0.000 0.338 284 Y C -1.083 175.045 175.900 0.380 0.000 0.961 284 Y CA -0.787 57.535 58.100 0.371 0.000 1.100 284 Y CB 1.192 39.801 38.460 0.248 0.000 1.179 284 Y HN 0.572 nan 8.280 nan 0.000 0.454 285 I N 5.749 126.315 120.570 -0.007 0.000 2.418 285 I HA 0.284 4.454 4.170 0.001 0.000 0.287 285 I C -0.722 175.280 176.117 -0.192 0.000 1.008 285 I CA -0.749 60.568 61.300 0.029 0.000 1.104 285 I CB 1.901 39.937 38.000 0.061 0.000 1.264 285 I HN 0.578 nan 8.210 nan 0.000 0.438 286 S N 8.143 123.848 115.700 0.008 0.000 2.456 286 S HA 0.575 5.045 4.470 0.001 0.000 0.316 286 S C -0.388 174.292 174.600 0.132 0.000 1.089 286 S CA -0.825 57.418 58.200 0.071 0.000 1.101 286 S CB 0.726 64.149 63.200 0.372 0.000 0.995 286 S HN 0.428 nan 8.310 nan 0.000 0.468 287 M N 5.807 125.385 119.600 -0.036 0.000 2.144 287 M HA 0.441 4.921 4.480 0.001 0.000 0.356 287 M C 0.061 176.279 176.300 -0.135 0.000 1.217 287 M CA -0.039 55.230 55.300 -0.052 0.000 1.087 287 M CB 0.468 32.992 32.600 -0.126 0.000 1.609 287 M HN 0.732 nan 8.290 nan 0.000 0.467 288 H N -0.031 119.105 119.070 0.111 0.000 2.960 288 H HA 0.674 5.230 4.556 0.001 0.000 0.303 288 H C -0.250 175.189 175.328 0.185 0.000 1.412 288 H CA -0.419 55.740 56.048 0.186 0.000 1.227 288 H CB 2.097 31.991 29.762 0.220 0.000 1.912 288 H HN 0.733 nan 8.280 nan 0.000 0.583 289 S N -0.522 115.422 115.700 0.407 0.000 3.132 289 S HA 0.275 4.746 4.470 0.001 0.000 0.322 289 S C -0.587 174.149 174.600 0.227 0.000 1.124 289 S CA -0.794 57.593 58.200 0.311 0.000 0.906 289 S CB 0.296 63.693 63.200 0.329 0.000 1.349 289 S HN 0.595 nan 8.310 nan 0.000 0.686 290 Y N 0.275 120.584 120.300 0.015 0.000 2.960 290 Y HA 0.431 4.981 4.550 0.001 0.000 0.345 290 Y C 1.041 176.901 175.900 -0.067 0.000 1.277 290 Y CA 0.584 58.641 58.100 -0.072 0.000 1.508 290 Y CB -0.008 38.343 38.460 -0.180 0.000 1.317 290 Y HN 0.806 nan 8.280 nan 0.000 0.639 291 S N -0.602 115.058 115.700 -0.066 0.000 1.660 291 S HA -0.125 4.345 4.470 0.001 0.000 0.105 291 S C -0.502 173.805 174.600 -0.488 0.000 0.494 291 S CA 0.218 58.251 58.200 -0.277 0.000 1.581 291 S CB -0.892 62.161 63.200 -0.246 0.000 0.827 291 S HN 0.889 nan 8.310 nan 0.000 0.258 292 Q N 1.989 121.533 119.800 -0.427 0.000 2.455 292 Q HA -0.165 4.176 4.340 0.001 0.000 0.343 292 Q C -1.091 174.613 176.000 -0.493 0.000 1.458 292 Q CA 1.000 56.351 55.803 -0.754 0.000 0.923 292 Q CB -1.675 26.467 28.738 -0.993 0.000 1.149 292 Q HN 0.673 nan 8.270 nan 0.000 0.357 293 H N 0.268 119.450 119.070 0.187 0.000 2.821 293 H HA 0.556 5.112 4.556 0.001 0.000 0.373 293 H C 0.151 175.665 175.328 0.310 0.000 1.165 293 H CA -1.047 55.158 56.048 0.262 0.000 1.154 293 H CB 1.247 31.066 29.762 0.094 0.000 1.765 293 H HN 0.231 nan 8.280 nan 0.000 0.549 294 I N 2.873 123.680 120.570 0.396 0.000 2.330 294 I HA 0.212 4.382 4.170 0.001 0.000 0.286 294 I C 0.713 177.047 176.117 0.363 0.000 1.025 294 I CA -0.892 60.574 61.300 0.276 0.000 1.197 294 I CB 1.040 39.107 38.000 0.111 0.000 1.358 294 I HN 0.191 nan 8.210 nan 0.000 0.467 295 V N 4.763 124.857 119.914 0.301 0.000 3.093 295 V HA 0.805 4.925 4.120 0.001 0.000 0.320 295 V C -0.727 175.566 176.094 0.333 0.000 1.093 295 V CA -0.524 61.887 62.300 0.186 0.000 1.016 295 V CB 1.912 33.685 31.823 -0.082 0.000 1.096 295 V HN 0.651 nan 8.190 nan 0.000 0.452 296 F N -1.562 118.368 119.950 -0.034 0.000 2.678 296 F HA 0.904 5.432 4.527 0.001 0.000 0.308 296 F C -3.106 172.512 175.800 -0.303 0.000 1.118 296 F CA -2.675 55.225 58.000 -0.166 0.000 0.959 296 F CB 0.482 39.371 39.000 -0.185 0.000 1.305 296 F HN 0.428 nan 8.300 nan 0.000 0.443 297 P HA -0.132 nan 4.420 nan 0.000 0.271 297 P C -1.336 175.627 177.300 -0.562 0.000 1.164 297 P CA 1.259 63.993 63.100 -0.609 0.000 0.758 297 P CB -0.171 30.816 31.700 -1.188 0.000 0.769 298 Y N -0.679 119.344 120.300 -0.462 0.000 3.038 298 Y HA -0.146 4.404 4.550 0.001 0.000 0.140 298 Y C 1.030 176.674 175.900 -0.426 0.000 2.014 298 Y CA 0.242 58.054 58.100 -0.480 0.000 1.080 298 Y CB -2.990 35.334 38.460 -0.228 0.000 1.603 298 Y HN 0.258 nan 8.280 nan 0.000 0.364 299 S N -0.971 114.604 115.700 -0.208 0.000 2.575 299 S HA 0.028 4.498 4.470 0.001 0.000 0.215 299 S C 1.391 176.016 174.600 0.041 0.000 0.966 299 S CA 0.391 58.506 58.200 -0.141 0.000 0.911 299 S CB -0.170 62.957 63.200 -0.122 0.000 0.780 299 S HN 0.781 nan 8.310 nan 0.000 0.514 300 Y N 1.418 121.783 120.300 0.109 0.000 2.503 300 Y HA 0.306 4.857 4.550 0.001 0.000 0.278 300 Y C 0.746 176.716 175.900 0.117 0.000 1.111 300 Y CA 0.197 58.370 58.100 0.121 0.000 1.270 300 Y CB -0.210 38.344 38.460 0.158 0.000 1.063 300 Y HN 0.148 nan 8.280 nan 0.000 0.548 301 T N -1.936 112.849 114.554 0.386 0.000 2.864 301 T HA 0.459 4.809 4.350 0.001 0.000 0.289 301 T C 0.414 175.220 174.700 0.178 0.000 1.082 301 T CA -1.102 61.156 62.100 0.263 0.000 1.009 301 T CB 2.235 71.267 68.868 0.273 0.000 1.234 301 T HN -0.004 nan 8.240 nan 0.000 0.526 302 R N 0.639 121.228 120.500 0.148 0.000 2.100 302 R HA 0.122 4.462 4.340 0.001 0.000 0.220 302 R C 1.242 177.652 176.300 0.183 0.000 1.091 302 R CA 0.565 56.763 56.100 0.164 0.000 0.986 302 R CB -0.648 29.705 30.300 0.088 0.000 0.888 302 R HN 0.834 nan 8.270 nan 0.000 0.444 303 S N 1.736 117.508 115.700 0.120 0.000 2.576 303 S HA 0.119 4.589 4.470 0.001 0.000 0.272 303 S C 0.196 174.853 174.600 0.095 0.000 1.352 303 S CA -0.312 57.924 58.200 0.060 0.000 1.021 303 S CB 1.070 64.302 63.200 0.053 0.000 0.887 303 S HN 0.040 nan 8.310 nan 0.000 0.542 304 K N 1.013 121.391 120.400 -0.037 0.000 2.098 304 K HA 0.378 4.699 4.320 0.001 0.000 0.257 304 K C 0.236 176.999 176.600 0.272 0.000 0.999 304 K CA -0.573 55.675 56.287 -0.065 0.000 0.924 304 K CB 0.679 32.964 32.500 -0.358 0.000 1.028 304 K HN 0.750 nan 8.250 nan 0.000 0.466 305 S N 1.100 116.949 115.700 0.248 0.000 2.593 305 S HA 0.006 4.476 4.470 0.001 0.000 0.269 305 S C 1.055 175.785 174.600 0.216 0.000 1.334 305 S CA -0.706 57.553 58.200 0.099 0.000 1.015 305 S CB 1.212 64.111 63.200 -0.502 0.000 0.912 305 S HN 0.642 nan 8.310 nan 0.000 0.541 306 K N 1.513 122.094 120.400 0.302 0.000 2.015 306 K HA -0.211 4.109 4.320 0.001 0.000 0.220 306 K C 0.161 176.861 176.600 0.168 0.000 1.055 306 K CA 2.137 58.553 56.287 0.214 0.000 0.951 306 K CB -0.488 32.118 32.500 0.176 0.000 0.725 306 K HN 0.761 nan 8.250 nan 0.000 0.449 307 D N -0.379 120.134 120.400 0.188 0.000 2.943 307 D HA 0.013 4.654 4.640 0.001 0.000 0.249 307 D C 0.317 176.664 176.300 0.078 0.000 1.231 307 D CA 0.025 54.090 54.000 0.108 0.000 0.979 307 D CB 0.227 41.066 40.800 0.065 0.000 1.053 307 D HN 0.454 nan 8.370 nan 0.000 0.504 308 H N 1.437 120.531 119.070 0.040 0.000 2.343 308 H HA -0.031 4.526 4.556 0.001 0.000 0.303 308 H C 1.575 176.946 175.328 0.072 0.000 1.068 308 H CA 1.411 57.516 56.048 0.095 0.000 1.359 308 H CB 0.589 30.399 29.762 0.081 0.000 1.402 308 H HN 0.081 nan 8.280 nan 0.000 0.515 309 E N 0.030 120.360 120.200 0.217 0.000 2.160 309 E HA -0.206 4.145 4.350 0.001 0.000 0.195 309 E C 2.035 178.643 176.600 0.015 0.000 0.991 309 E CA 1.318 57.805 56.400 0.146 0.000 0.810 309 E CB 0.084 29.865 29.700 0.135 0.000 0.742 309 E HN 0.630 nan 8.360 nan 0.000 0.466 310 E N 0.465 120.661 120.200 -0.006 0.000 2.075 310 E HA -0.079 4.272 4.350 0.001 0.000 0.190 310 E C 2.082 178.609 176.600 -0.121 0.000 0.969 310 E CA 0.174 56.567 56.400 -0.012 0.000 0.815 310 E CB 0.125 29.873 29.700 0.080 0.000 0.776 310 E HN 0.188 nan 8.360 nan 0.000 0.457 311 L N 0.768 121.853 121.223 -0.230 0.000 2.127 311 L HA -0.161 4.180 4.340 0.001 0.000 0.211 311 L C 2.720 179.067 176.870 -0.871 0.000 1.089 311 L CA 1.058 55.618 54.840 -0.468 0.000 0.757 311 L CB -0.403 41.258 42.059 -0.663 0.000 0.899 311 L HN 0.161 nan 8.230 nan 0.000 0.434 312 S N 0.120 115.339 115.700 -0.803 0.000 2.368 312 S HA -0.153 4.318 4.470 0.001 0.000 0.224 312 S C 1.973 176.416 174.600 -0.263 0.000 1.029 312 S CA 0.968 58.849 58.200 -0.533 0.000 0.988 312 S CB -0.113 62.982 63.200 -0.175 0.000 0.838 312 S HN 0.361 nan 8.310 nan 0.000 0.462 313 L N 1.071 122.172 121.223 -0.202 0.000 2.056 313 L HA -0.007 4.333 4.340 0.001 0.000 0.207 313 L C 2.301 179.023 176.870 -0.246 0.000 1.078 313 L CA 1.140 55.885 54.840 -0.160 0.000 0.749 313 L CB -0.300 41.711 42.059 -0.080 0.000 0.901 313 L HN 0.191 nan 8.230 nan 0.000 0.433 314 V N -0.097 119.635 119.914 -0.304 0.000 2.343 314 V HA -0.301 3.820 4.120 0.001 0.000 0.247 314 V C 2.675 178.536 176.094 -0.388 0.000 1.051 314 V CA 1.773 63.839 62.300 -0.390 0.000 1.036 314 V CB -0.729 30.865 31.823 -0.382 0.000 0.654 314 V HN 0.597 nan 8.190 nan 0.000 0.451 315 A N -1.387 121.213 122.820 -0.367 0.000 1.929 315 A HA -0.172 4.148 4.320 0.001 0.000 0.216 315 A C 2.502 179.824 177.584 -0.438 0.000 1.176 315 A CA 1.819 53.649 52.037 -0.345 0.000 0.628 315 A CB -0.636 18.301 19.000 -0.106 0.000 0.816 315 A HN 0.455 nan 8.150 nan 0.000 0.444 316 S N -0.796 114.520 115.700 -0.640 0.000 2.399 316 S HA -0.177 4.293 4.470 0.001 0.000 0.231 316 S C 1.962 176.343 174.600 -0.366 0.000 1.022 316 S CA 1.772 59.487 58.200 -0.808 0.000 0.983 316 S CB -0.209 62.627 63.200 -0.607 0.000 0.803 316 S HN 0.633 nan 8.310 nan 0.000 0.480 317 E N 0.706 120.734 120.200 -0.288 0.000 2.112 317 E HA 0.171 4.522 4.350 0.001 0.000 0.190 317 E C 2.017 178.499 176.600 -0.197 0.000 0.979 317 E CA 1.012 57.294 56.400 -0.197 0.000 0.814 317 E CB -0.396 29.201 29.700 -0.171 0.000 0.762 317 E HN 0.485 nan 8.360 nan 0.000 0.460 318 A N -0.037 122.628 122.820 -0.258 0.000 1.898 318 A HA -0.116 4.205 4.320 0.001 0.000 0.216 318 A C 2.402 179.844 177.584 -0.237 0.000 1.181 318 A CA 1.457 53.341 52.037 -0.256 0.000 0.620 318 A CB -0.709 18.085 19.000 -0.344 0.000 0.819 318 A HN 0.185 nan 8.150 nan 0.000 0.442 319 V N 0.060 119.837 119.914 -0.228 0.000 2.407 319 V HA -0.218 3.902 4.120 0.001 0.000 0.248 319 V C 2.600 178.640 176.094 -0.090 0.000 1.055 319 V CA 2.130 64.337 62.300 -0.156 0.000 1.049 319 V CB -0.764 31.042 31.823 -0.027 0.000 0.662 319 V HN 0.581 nan 8.190 nan 0.000 0.455 320 R N -0.285 120.157 120.500 -0.097 0.000 2.235 320 R HA -0.046 4.295 4.340 0.001 0.000 0.213 320 R C 2.150 178.414 176.300 -0.060 0.000 1.059 320 R CA 1.098 57.163 56.100 -0.058 0.000 0.997 320 R CB -0.168 30.093 30.300 -0.064 0.000 0.884 320 R HN 0.536 nan 8.270 nan 0.000 0.462 321 A N 0.748 123.516 122.820 -0.088 0.000 1.898 321 A HA -0.049 4.271 4.320 0.001 0.000 0.214 321 A C 2.021 179.569 177.584 -0.060 0.000 1.183 321 A CA 0.713 52.708 52.037 -0.071 0.000 0.622 321 A CB -0.219 18.731 19.000 -0.084 0.000 0.824 321 A HN 0.238 nan 8.150 nan 0.000 0.444 322 I N -0.456 120.054 120.570 -0.100 0.000 2.252 322 I HA -0.216 3.954 4.170 0.001 0.000 0.245 322 I C 2.230 178.346 176.117 -0.002 0.000 1.102 322 I CA 1.414 62.661 61.300 -0.088 0.000 1.385 322 I CB -0.353 37.499 38.000 -0.247 0.000 1.064 322 I HN 0.372 nan 8.210 nan 0.000 0.414 323 E N 0.518 120.726 120.200 0.012 0.000 2.409 323 E HA -0.167 4.184 4.350 0.001 0.000 0.198 323 E C 1.917 178.529 176.600 0.020 0.000 1.024 323 E CA 0.673 57.097 56.400 0.039 0.000 0.861 323 E CB 0.174 29.904 29.700 0.050 0.000 0.788 323 E HN 0.399 nan 8.360 nan 0.000 0.521 324 K N -0.512 119.891 120.400 0.004 0.000 2.099 324 K HA -0.035 4.285 4.320 0.001 0.000 0.203 324 K C 2.289 178.893 176.600 0.005 0.000 1.047 324 K CA 1.444 57.731 56.287 0.001 0.000 0.963 324 K CB 0.073 32.568 32.500 -0.009 0.000 0.759 324 K HN 0.112 nan 8.250 nan 0.000 0.451 325 T N -0.927 113.630 114.554 0.006 0.000 3.051 325 T HA -0.032 4.319 4.350 0.001 0.000 0.269 325 T C 0.460 175.168 174.700 0.013 0.000 1.127 325 T CA 0.469 62.577 62.100 0.013 0.000 1.107 325 T CB -0.186 68.695 68.868 0.021 0.000 0.898 325 T HN 0.069 nan 8.240 nan 0.000 0.517 326 S N 0.160 115.869 115.700 0.016 0.000 2.706 326 S HA 0.576 5.046 4.470 0.001 0.000 0.270 326 S C -0.454 174.155 174.600 0.015 0.000 1.163 326 S CA -1.285 56.921 58.200 0.011 0.000 1.042 326 S CB 2.182 65.385 63.200 0.005 0.000 1.079 326 S HN 0.566 nan 8.310 nan 0.000 0.474 327 K N 1.882 122.286 120.400 0.008 0.000 2.009 327 K HA -0.263 4.057 4.320 0.001 0.000 0.262 327 K C -0.875 175.733 176.600 0.013 0.000 1.647 327 K CA 1.238 57.528 56.287 0.005 0.000 0.655 327 K CB -1.068 31.427 32.500 -0.008 0.000 0.797 327 K HN 0.646 nan 8.250 nan 0.000 0.855 328 N N 1.274 119.980 118.700 0.010 0.000 3.324 328 N HA 0.125 4.866 4.740 0.001 0.000 0.302 328 N C -0.978 174.542 175.510 0.017 0.000 1.360 328 N CA 0.183 53.243 53.050 0.017 0.000 1.190 328 N CB 0.705 39.199 38.487 0.012 0.000 1.462 328 N HN 0.561 nan 8.380 nan 0.000 0.532 329 T N -1.907 112.665 114.554 0.030 0.000 2.824 329 T HA 0.525 4.875 4.350 0.001 0.000 0.280 329 T C -0.171 174.575 174.700 0.076 0.000 0.995 329 T CA -0.893 61.228 62.100 0.035 0.000 1.009 329 T CB 1.876 70.768 68.868 0.042 0.000 0.955 329 T HN 0.212 nan 8.240 nan 0.000 0.452 330 R N 2.772 123.299 120.500 0.045 0.000 2.513 330 R HA 0.522 4.862 4.340 0.001 0.000 0.301 330 R C -1.645 174.689 176.300 0.058 0.000 0.968 330 R CA -0.780 55.373 56.100 0.090 0.000 0.872 330 R CB 1.328 31.664 30.300 0.060 0.000 1.177 330 R HN 0.767 nan 8.270 nan 0.000 0.444 331 Y N 1.297 121.625 120.300 0.046 0.000 2.387 331 Y HA 0.309 4.859 4.550 0.001 0.000 0.336 331 Y C 0.275 176.259 175.900 0.139 0.000 1.067 331 Y CA -0.496 57.642 58.100 0.063 0.000 1.114 331 Y CB 2.407 40.906 38.460 0.065 0.000 1.208 331 Y HN 0.503 nan 8.280 nan 0.000 0.458 332 T N 1.665 116.420 114.554 0.335 0.000 2.837 332 T HA 0.328 4.679 4.350 0.001 0.000 0.285 332 T C -0.747 174.194 174.700 0.401 0.000 0.984 332 T CA -0.906 61.394 62.100 0.334 0.000 1.049 332 T CB 0.580 69.634 68.868 0.309 0.000 0.947 332 T HN 0.622 nan 8.240 nan 0.000 0.472 333 H N 0.043 119.247 119.070 0.223 0.000 2.569 333 H HA 0.843 5.399 4.556 0.001 0.000 0.357 333 H C -0.053 175.389 175.328 0.189 0.000 1.153 333 H CA -1.235 54.945 56.048 0.220 0.000 1.193 333 H CB 1.680 31.559 29.762 0.195 0.000 1.602 333 H HN 1.049 nan 8.280 nan 0.000 0.523 334 G N 0.811 109.740 108.800 0.215 0.000 2.320 334 G HA2 0.065 4.026 3.960 0.001 0.000 0.296 334 G HA3 0.065 4.026 3.960 0.001 0.000 0.296 334 G C -1.763 172.874 174.900 -0.438 0.000 1.306 334 G CA -0.931 44.191 45.100 0.036 0.000 0.836 334 G HN 1.024 nan 8.290 nan 0.000 0.517 335 H N 0.778 119.485 119.070 -0.604 0.000 2.690 335 H HA 0.388 4.945 4.556 0.001 0.000 0.314 335 H C 1.635 176.645 175.328 -0.530 0.000 1.069 335 H CA 0.593 56.092 56.048 -0.916 0.000 1.436 335 H CB 0.991 30.546 29.762 -0.344 0.000 1.462 335 H HN 0.921 nan 8.280 nan 0.000 0.511 336 G N 3.801 112.071 108.800 -0.883 0.000 2.869 336 G HA2 -0.489 3.471 3.960 0.001 0.000 0.236 336 G HA3 -0.489 3.471 3.960 0.001 0.000 0.236 336 G C 1.520 176.087 174.900 -0.555 0.000 1.134 336 G CA 2.031 46.757 45.100 -0.624 0.000 0.748 336 G HN 0.731 nan 8.290 nan 0.000 0.644 337 S N -0.526 114.789 115.700 -0.642 0.000 2.527 337 S HA 0.215 4.685 4.470 0.001 0.000 0.222 337 S C 1.802 176.270 174.600 -0.220 0.000 0.985 337 S CA 1.306 59.309 58.200 -0.329 0.000 0.921 337 S CB 0.338 63.419 63.200 -0.198 0.000 0.772 337 S HN 0.652 nan 8.310 nan 0.000 0.529 338 E N 1.033 121.078 120.200 -0.260 0.000 2.132 338 E HA 0.045 4.395 4.350 0.001 0.000 0.193 338 E C 1.776 178.275 176.600 -0.169 0.000 0.951 338 E CA 0.902 57.236 56.400 -0.109 0.000 0.843 338 E CB -0.071 29.644 29.700 0.025 0.000 0.807 338 E HN 0.424 nan 8.360 nan 0.000 0.467 339 T N 1.527 115.917 114.554 -0.273 0.000 2.674 339 T HA -0.080 4.271 4.350 0.001 0.000 0.265 339 T C 1.644 176.073 174.700 -0.452 0.000 1.039 339 T CA 0.966 62.828 62.100 -0.396 0.000 1.150 339 T CB -0.035 68.523 68.868 -0.517 0.000 0.864 339 T HN -0.032 nan 8.240 nan 0.000 0.427 340 L N -1.476 119.471 121.223 -0.460 0.000 2.611 340 L HA 0.399 4.740 4.340 0.001 0.000 0.187 340 L C -0.187 176.476 176.870 -0.346 0.000 1.334 340 L CA -0.544 53.980 54.840 -0.527 0.000 2.722 340 L CB 0.259 41.805 42.059 -0.854 0.000 2.570 340 L HN 0.369 nan 8.230 nan 0.000 1.073 341 Y N -2.862 117.364 120.300 -0.123 0.000 2.670 341 Y HA 0.440 4.991 4.550 0.001 0.000 0.334 341 Y C -0.878 174.970 175.900 -0.086 0.000 1.185 341 Y CA -1.206 56.839 58.100 -0.092 0.000 1.053 341 Y CB 0.962 39.382 38.460 -0.068 0.000 1.298 341 Y HN -0.004 nan 8.280 nan 0.000 0.459 342 L N 2.660 123.989 121.223 0.178 0.000 2.485 342 L HA 0.613 4.954 4.340 0.001 0.000 0.279 342 L C -0.518 176.445 176.870 0.154 0.000 1.124 342 L CA -0.039 54.866 54.840 0.108 0.000 0.888 342 L CB -0.025 42.072 42.059 0.064 0.000 1.217 342 L HN 0.828 nan 8.230 nan 0.000 0.464 343 A N 7.444 130.360 122.820 0.160 0.000 2.530 343 A HA 0.681 5.001 4.320 0.001 0.000 0.279 343 A C -2.813 174.864 177.584 0.155 0.000 1.109 343 A CA -0.987 51.151 52.037 0.168 0.000 0.763 343 A CB 1.227 20.396 19.000 0.281 0.000 1.257 343 A HN 0.403 nan 8.150 nan 0.000 0.424 344 P HA 0.653 nan 4.420 nan 0.000 0.296 344 P C 0.521 177.940 177.300 0.199 0.000 1.310 344 P CA 0.353 63.589 63.100 0.226 0.000 0.900 344 P CB 1.809 33.632 31.700 0.205 0.000 1.111 345 G N 0.408 109.399 108.800 0.319 0.000 2.141 345 G HA2 -0.004 3.956 3.960 0.001 0.000 0.164 345 G HA3 -0.004 3.956 3.960 0.001 0.000 0.164 345 G C 0.226 175.354 174.900 0.381 0.000 1.009 345 G CA -0.294 45.045 45.100 0.399 0.000 0.677 345 G HN 0.852 nan 8.290 nan 0.000 0.508 346 G N -0.697 108.279 108.800 0.293 0.000 2.389 346 G HA2 0.642 4.602 3.960 0.001 0.000 0.328 346 G HA3 0.642 4.602 3.960 0.001 0.000 0.328 346 G C 1.274 176.137 174.900 -0.063 0.000 1.133 346 G CA 0.361 45.569 45.100 0.180 0.000 0.891 346 G HN 1.121 nan 8.290 nan 0.000 0.485 347 G N 2.095 110.475 108.800 -0.699 0.000 2.732 347 G HA2 -0.418 3.542 3.960 0.001 0.000 0.222 347 G HA3 -0.418 3.542 3.960 0.001 0.000 0.222 347 G C 1.404 175.974 174.900 -0.550 0.000 1.203 347 G CA 2.068 46.429 45.100 -1.232 0.000 0.780 347 G HN 0.777 nan 8.290 nan 0.000 0.621 348 D N 0.881 121.093 120.400 -0.313 0.000 2.126 348 D HA -0.146 4.494 4.640 0.001 0.000 0.190 348 D C 1.747 177.979 176.300 -0.114 0.000 1.001 348 D CA 1.732 55.618 54.000 -0.190 0.000 0.841 348 D CB -0.723 40.107 40.800 0.051 0.000 0.949 348 D HN 0.298 nan 8.370 nan 0.000 0.446 349 D N -0.480 119.905 120.400 -0.025 0.000 2.116 349 D HA -0.172 4.468 4.640 0.001 0.000 0.193 349 D C 1.714 178.146 176.300 0.220 0.000 0.998 349 D CA 1.144 55.183 54.000 0.066 0.000 0.836 349 D CB -0.769 40.109 40.800 0.130 0.000 0.951 349 D HN 0.493 nan 8.370 nan 0.000 0.449 350 W N 1.596 122.917 121.300 0.036 0.000 2.333 350 W HA -0.116 4.544 4.660 0.001 0.000 0.316 350 W C 2.138 178.657 176.519 -0.001 0.000 1.215 350 W CA 0.989 58.378 57.345 0.073 0.000 1.278 350 W CB -0.675 28.825 29.460 0.066 0.000 1.154 350 W HN -0.055 nan 8.180 nan 0.000 0.486 351 I N -0.046 120.301 120.570 -0.370 0.000 2.830 351 I HA -0.203 3.967 4.170 0.001 0.000 0.263 351 I C 2.225 178.102 176.117 -0.400 0.000 1.230 351 I CA 1.012 61.868 61.300 -0.740 0.000 1.480 351 I CB -0.413 37.267 38.000 -0.533 0.000 1.095 351 I HN 0.173 nan 8.210 nan 0.000 0.455 352 Y N 1.448 121.558 120.300 -0.316 0.000 2.184 352 Y HA -0.257 4.294 4.550 0.001 0.000 0.290 352 Y C 2.030 177.810 175.900 -0.200 0.000 1.129 352 Y CA 1.761 59.707 58.100 -0.256 0.000 1.144 352 Y CB -0.252 38.041 38.460 -0.278 0.000 0.995 352 Y HN 0.212 nan 8.280 nan 0.000 0.513 353 D N 0.208 120.517 120.400 -0.151 0.000 2.263 353 D HA -0.133 4.508 4.640 0.001 0.000 0.208 353 D C 1.684 177.827 176.300 -0.262 0.000 0.971 353 D CA 0.876 54.798 54.000 -0.131 0.000 0.867 353 D CB -0.217 40.650 40.800 0.111 0.000 0.929 353 D HN 0.348 nan 8.370 nan 0.000 0.492 354 L N -0.788 120.207 121.223 -0.380 0.000 2.627 354 L HA 0.236 4.577 4.340 0.001 0.000 0.233 354 L C 1.470 178.133 176.870 -0.346 0.000 1.144 354 L CA 0.829 55.427 54.840 -0.403 0.000 0.892 354 L CB 0.060 41.727 42.059 -0.653 0.000 1.039 354 L HN 0.178 nan 8.230 nan 0.000 0.442 355 G N -1.069 107.504 108.800 -0.378 0.000 2.391 355 G HA2 -0.195 3.765 3.960 0.001 0.000 0.204 355 G HA3 -0.195 3.765 3.960 0.001 0.000 0.204 355 G C 0.210 174.912 174.900 -0.330 0.000 1.012 355 G CA -0.082 44.819 45.100 -0.332 0.000 0.651 355 G HN 0.052 nan 8.290 nan 0.000 0.494 356 I N 2.832 123.232 120.570 -0.284 0.000 2.691 356 I HA 0.140 4.311 4.170 0.001 0.000 0.288 356 I C 1.561 177.575 176.117 -0.172 0.000 1.143 356 I CA 0.547 61.749 61.300 -0.164 0.000 1.364 356 I CB 0.538 38.494 38.000 -0.074 0.000 1.435 356 I HN 0.402 nan 8.210 nan 0.000 0.551 357 K N 5.777 126.022 120.400 -0.258 0.000 2.025 357 K HA -0.119 4.201 4.320 0.001 0.000 0.207 357 K C 0.040 176.443 176.600 -0.328 0.000 1.049 357 K CA 1.339 57.397 56.287 -0.381 0.000 0.933 357 K CB 0.076 32.151 32.500 -0.707 0.000 0.714 357 K HN 0.411 nan 8.250 nan 0.000 0.438 358 Y N 0.967 121.285 120.300 0.031 0.000 2.714 358 Y HA 0.224 4.774 4.550 0.001 0.000 0.333 358 Y C -0.279 175.557 175.900 -0.107 0.000 1.220 358 Y CA -0.595 57.474 58.100 -0.052 0.000 1.513 358 Y CB 0.623 39.207 38.460 0.206 0.000 1.435 358 Y HN -0.114 nan 8.280 nan 0.000 0.489 359 S N 3.628 119.165 115.700 -0.273 0.000 2.456 359 S HA 0.791 5.262 4.470 0.001 0.000 0.316 359 S C -1.080 173.288 174.600 -0.387 0.000 1.089 359 S CA -0.376 57.767 58.200 -0.095 0.000 1.101 359 S CB 0.131 63.325 63.200 -0.010 0.000 0.995 359 S HN 0.317 nan 8.310 nan 0.000 0.468 360 F N 1.489 121.606 119.950 0.277 0.000 2.613 360 F HA 0.552 5.080 4.527 0.000 0.000 0.314 360 F C 0.228 176.166 175.800 0.229 0.000 1.075 360 F CA -0.651 57.475 58.000 0.210 0.000 0.945 360 F CB 2.550 41.633 39.000 0.139 0.000 1.310 360 F HN 0.347 nan 8.300 nan 0.000 0.467 361 T N 2.958 117.755 114.554 0.405 0.000 2.840 361 T HA 0.570 4.920 4.350 0.001 0.000 0.287 361 T C -0.592 174.259 174.700 0.252 0.000 0.991 361 T CA -0.355 61.931 62.100 0.309 0.000 0.964 361 T CB 0.968 69.977 68.868 0.235 0.000 0.954 361 T HN 0.310 nan 8.240 nan 0.000 0.438 362 I N 2.903 123.588 120.570 0.192 0.000 2.312 362 I HA 0.250 4.421 4.170 0.001 0.000 0.290 362 I C 0.496 176.721 176.117 0.179 0.000 1.008 362 I CA -0.501 60.876 61.300 0.127 0.000 1.226 362 I CB 1.125 39.106 38.000 -0.031 0.000 1.371 362 I HN 0.533 nan 8.210 nan 0.000 0.468 363 E N 6.689 127.024 120.200 0.225 0.000 2.089 363 E HA 0.323 4.673 4.350 0.001 0.000 0.284 363 E C -0.177 176.555 176.600 0.220 0.000 1.023 363 E CA -0.350 56.175 56.400 0.209 0.000 0.819 363 E CB 1.112 30.902 29.700 0.150 0.000 1.076 363 E HN 0.498 nan 8.360 nan 0.000 0.396 364 L N 2.269 123.604 121.223 0.186 0.000 2.553 364 L HA 0.257 4.597 4.340 0.001 0.000 0.185 364 L C 1.128 178.072 176.870 0.124 0.000 1.137 364 L CA -0.190 54.757 54.840 0.179 0.000 0.919 364 L CB 0.170 42.309 42.059 0.133 0.000 1.560 364 L HN 0.425 nan 8.230 nan 0.000 0.515 365 R N -0.270 120.309 120.500 0.131 0.000 2.543 365 R HA 0.236 4.576 4.340 0.001 0.000 0.268 365 R C -1.199 175.168 176.300 0.112 0.000 1.067 365 R CA -0.136 56.013 56.100 0.081 0.000 1.142 365 R CB 0.790 31.169 30.300 0.132 0.000 1.110 365 R HN 0.653 nan 8.270 nan 0.000 0.549 366 D N -1.364 119.086 120.400 0.084 0.000 10.667 366 D HA -0.150 4.491 4.640 0.001 0.000 0.323 366 D C -0.778 175.595 176.300 0.121 0.000 3.148 366 D CA 1.299 55.349 54.000 0.084 0.000 2.769 366 D CB 0.037 40.844 40.800 0.011 0.000 1.233 366 D HN 0.623 nan 8.370 nan 0.000 0.949 367 T N 0.906 115.523 114.554 0.104 0.000 3.339 367 T HA 0.586 4.936 4.350 0.001 0.000 0.292 367 T C 1.147 176.005 174.700 0.264 0.000 1.012 367 T CA 0.731 62.957 62.100 0.209 0.000 0.937 367 T CB 0.531 69.445 68.868 0.075 0.000 1.164 367 T HN 1.527 nan 8.240 nan 0.000 0.509 368 G N 0.877 109.683 108.800 0.011 0.000 2.205 368 G HA2 -0.195 3.765 3.960 0.001 0.000 0.180 368 G HA3 -0.195 3.765 3.960 0.001 0.000 0.180 368 G C 0.576 175.244 174.900 -0.387 0.000 1.004 368 G CA 0.038 44.977 45.100 -0.269 0.000 0.670 368 G HN 0.572 nan 8.290 nan 0.000 0.496 369 T N -0.483 113.912 114.554 -0.264 0.000 3.206 369 T HA 0.490 4.840 4.350 0.001 0.000 0.253 369 T C 0.626 175.009 174.700 -0.527 0.000 1.042 369 T CA 1.090 62.972 62.100 -0.363 0.000 0.931 369 T CB 0.095 68.803 68.868 -0.267 0.000 1.029 369 T HN 0.548 nan 8.240 nan 0.000 0.564 370 Y N -1.008 119.156 120.300 -0.227 0.000 2.913 370 Y HA 0.168 4.719 4.550 0.001 0.000 0.342 370 Y C 1.814 177.542 175.900 -0.286 0.000 0.893 370 Y CA -0.247 57.734 58.100 -0.197 0.000 0.881 370 Y CB -0.577 37.735 38.460 -0.246 0.000 1.370 370 Y HN 0.243 nan 8.280 nan 0.000 0.524 371 G N 1.636 110.127 108.800 -0.516 0.000 2.690 371 G HA2 -0.447 3.513 3.960 0.001 0.000 0.362 371 G HA3 -0.447 3.513 3.960 0.001 0.000 0.362 371 G C 1.060 175.465 174.900 -0.825 0.000 1.132 371 G CA 1.926 46.194 45.100 -1.387 0.000 0.922 371 G HN 0.241 nan 8.290 nan 0.000 0.595 372 F N 0.536 120.000 119.950 -0.810 0.000 2.416 372 F HA 0.369 4.897 4.527 0.001 0.000 0.296 372 F C 2.396 177.909 175.800 -0.479 0.000 1.099 372 F CA 0.726 58.361 58.000 -0.608 0.000 1.427 372 F CB -0.194 38.269 39.000 -0.895 0.000 1.079 372 F HN 0.121 nan 8.300 nan 0.000 0.536 373 L N 0.441 121.528 121.223 -0.225 0.000 2.688 373 L HA 0.146 4.487 4.340 0.001 0.000 0.234 373 L C 0.120 176.872 176.870 -0.197 0.000 1.192 373 L CA -0.520 54.204 54.840 -0.193 0.000 0.984 373 L CB -0.308 41.727 42.059 -0.040 0.000 1.232 373 L HN -0.037 nan 8.230 nan 0.000 0.465 374 L N 2.918 124.027 121.223 -0.189 0.000 2.841 374 L HA -0.048 4.293 4.340 0.001 0.000 0.282 374 L C -2.009 174.700 176.870 -0.268 0.000 1.130 374 L CA -0.513 54.150 54.840 -0.295 0.000 0.996 374 L CB -0.346 41.687 42.059 -0.044 0.000 1.364 374 L HN -0.065 nan 8.230 nan 0.000 0.466 375 P HA 0.022 nan 4.420 nan 0.000 0.272 375 P C 0.333 177.562 177.300 -0.119 0.000 1.223 375 P CA -0.274 62.628 63.100 -0.331 0.000 0.784 375 P CB 0.460 31.835 31.700 -0.542 0.000 0.923 376 E N 3.900 124.106 120.200 0.010 0.000 2.233 376 E HA -0.322 4.029 4.350 0.001 0.000 0.199 376 E C 1.371 177.945 176.600 -0.044 0.000 1.004 376 E CA 1.206 57.532 56.400 -0.123 0.000 0.819 376 E CB -0.438 29.183 29.700 -0.132 0.000 0.738 376 E HN 0.453 nan 8.360 nan 0.000 0.478 377 R N -0.359 120.158 120.500 0.030 0.000 2.285 377 R HA -0.112 4.229 4.340 0.001 0.000 0.213 377 R C 0.925 177.384 176.300 0.266 0.000 1.068 377 R CA 1.086 57.263 56.100 0.128 0.000 1.004 377 R CB -0.317 30.069 30.300 0.144 0.000 0.873 377 R HN 0.202 nan 8.270 nan 0.000 0.467 378 Y N 0.960 121.232 120.300 -0.047 0.000 2.482 378 Y HA 0.237 4.787 4.550 0.001 0.000 0.270 378 Y C 1.932 177.822 175.900 -0.017 0.000 1.152 378 Y CA -1.030 57.057 58.100 -0.021 0.000 1.292 378 Y CB -0.052 38.396 38.460 -0.021 0.000 1.070 378 Y HN -0.036 nan 8.280 nan 0.000 0.528 379 I N -0.058 120.575 120.570 0.105 0.000 2.163 379 I HA -0.370 3.800 4.170 0.001 0.000 0.243 379 I C 2.596 178.706 176.117 -0.012 0.000 1.085 379 I CA 1.584 62.899 61.300 0.025 0.000 1.347 379 I CB -0.229 37.730 38.000 -0.068 0.000 1.044 379 I HN 0.122 nan 8.210 nan 0.000 0.408 380 K N 1.216 121.642 120.400 0.044 0.000 1.978 380 K HA -0.177 4.143 4.320 0.001 0.000 0.214 380 K C -0.599 175.953 176.600 -0.081 0.000 1.049 380 K CA 2.021 58.346 56.287 0.064 0.000 0.939 380 K CB -1.040 31.554 32.500 0.156 0.000 0.721 380 K HN 0.195 nan 8.250 nan 0.000 0.441 381 P HA -0.047 nan 4.420 nan 0.000 0.229 381 P C 0.776 178.034 177.300 -0.070 0.000 1.160 381 P CA 1.219 64.282 63.100 -0.062 0.000 0.777 381 P CB 0.054 31.714 31.700 -0.068 0.000 0.814 382 T N -0.714 113.809 114.554 -0.051 0.000 2.857 382 T HA -0.068 4.282 4.350 0.001 0.000 0.266 382 T C 1.904 176.560 174.700 -0.074 0.000 1.048 382 T CA 1.297 63.396 62.100 -0.001 0.000 1.139 382 T CB -0.773 68.137 68.868 0.070 0.000 0.874 382 T HN 0.176 nan 8.240 nan 0.000 0.455 383 C N 0.982 120.106 119.300 -0.293 0.000 2.492 383 C HA 0.183 4.644 4.460 0.001 0.000 0.279 383 C C 2.787 177.341 174.990 -0.728 0.000 1.335 383 C CA -0.266 58.433 59.018 -0.532 0.000 1.734 383 C CB -0.797 26.079 27.740 -1.440 0.000 2.027 383 C HN 0.494 nan 8.230 nan 0.000 0.496 384 R N 1.486 121.591 120.500 -0.658 0.000 2.127 384 R HA -0.157 4.183 4.340 0.001 0.000 0.238 384 R C 2.195 178.458 176.300 -0.062 0.000 1.134 384 R CA 1.783 57.695 56.100 -0.313 0.000 0.975 384 R CB -0.310 29.939 30.300 -0.084 0.000 0.865 384 R HN 0.782 nan 8.270 nan 0.000 0.447 385 E N -0.063 120.106 120.200 -0.053 0.000 2.127 385 E HA 0.018 4.368 4.350 0.001 0.000 0.191 385 E C 1.999 178.588 176.600 -0.020 0.000 0.964 385 E CA 0.660 57.054 56.400 -0.010 0.000 0.832 385 E CB -0.201 29.501 29.700 0.004 0.000 0.790 385 E HN 0.153 nan 8.360 nan 0.000 0.465 386 A N 1.554 124.364 122.820 -0.017 0.000 1.892 386 A HA -0.194 4.127 4.320 0.001 0.000 0.218 386 A C 2.067 179.730 177.584 0.131 0.000 1.188 386 A CA 1.591 53.560 52.037 -0.113 0.000 0.631 386 A CB -1.156 17.593 19.000 -0.417 0.000 0.822 386 A HN 0.433 nan 8.150 nan 0.000 0.447 387 F N 0.832 120.977 119.950 0.324 0.000 2.161 387 F HA -0.146 4.381 4.527 0.000 0.000 0.300 387 F C 2.528 178.447 175.800 0.197 0.000 1.089 387 F CA 1.335 59.574 58.000 0.398 0.000 1.282 387 F CB -0.234 38.949 39.000 0.305 0.000 1.010 387 F HN 0.268 nan 8.300 nan 0.000 0.485 388 A N 0.223 123.208 122.820 0.275 0.000 1.940 388 A HA -0.112 4.209 4.320 0.001 0.000 0.219 388 A C 2.383 179.957 177.584 -0.017 0.000 1.176 388 A CA 1.804 53.918 52.037 0.128 0.000 0.631 388 A CB -1.505 17.537 19.000 0.070 0.000 0.814 388 A HN 0.506 nan 8.150 nan 0.000 0.446 389 A N -0.382 122.387 122.820 -0.084 0.000 1.835 389 A HA -0.022 4.298 4.320 0.001 0.000 0.215 389 A C 2.193 179.685 177.584 -0.152 0.000 1.199 389 A CA 1.923 53.856 52.037 -0.174 0.000 0.615 389 A CB -1.290 17.553 19.000 -0.261 0.000 0.838 389 A HN 0.514 nan 8.150 nan 0.000 0.444 390 V N 0.528 120.372 119.914 -0.117 0.000 2.277 390 V HA -0.333 3.788 4.120 0.001 0.000 0.253 390 V C 2.785 178.852 176.094 -0.044 0.000 1.067 390 V CA 2.625 64.888 62.300 -0.061 0.000 1.047 390 V CB -1.196 30.648 31.823 0.035 0.000 0.649 390 V HN 0.585 nan 8.190 nan 0.000 0.447 391 S N -0.824 114.806 115.700 -0.117 0.000 2.383 391 S HA -0.265 4.205 4.470 0.001 0.000 0.229 391 S C 1.997 176.671 174.600 0.124 0.000 1.030 391 S CA 1.888 60.089 58.200 0.001 0.000 1.002 391 S CB -0.334 62.861 63.200 -0.009 0.000 0.829 391 S HN 0.538 nan 8.310 nan 0.000 0.467 392 K N 1.376 121.794 120.400 0.029 0.000 2.057 392 K HA 0.096 4.416 4.320 0.001 0.000 0.206 392 K C 1.806 178.411 176.600 0.008 0.000 1.050 392 K CA 0.977 57.281 56.287 0.027 0.000 0.935 392 K CB -0.451 32.008 32.500 -0.069 0.000 0.715 392 K HN 0.307 nan 8.250 nan 0.000 0.439 393 I N 0.370 120.880 120.570 -0.100 0.000 2.091 393 I HA -0.356 3.814 4.170 0.001 0.000 0.239 393 I C 2.290 178.388 176.117 -0.032 0.000 1.061 393 I CA 1.538 62.759 61.300 -0.132 0.000 1.317 393 I CB -0.488 37.391 38.000 -0.202 0.000 1.031 393 I HN 0.237 nan 8.210 nan 0.000 0.401 394 A N -0.023 122.791 122.820 -0.010 0.000 1.865 394 A HA -0.266 4.055 4.320 0.001 0.000 0.217 394 A C 2.041 179.538 177.584 -0.144 0.000 1.191 394 A CA 1.786 53.773 52.037 -0.082 0.000 0.623 394 A CB -1.397 17.599 19.000 -0.006 0.000 0.826 394 A HN 0.592 nan 8.150 nan 0.000 0.444 395 W N -1.318 119.975 121.300 -0.013 0.000 2.525 395 W HA -0.072 4.588 4.660 0.000 0.000 0.259 395 W C 2.181 178.669 176.519 -0.052 0.000 1.253 395 W CA 1.266 58.594 57.345 -0.028 0.000 1.262 395 W CB -0.210 29.236 29.460 -0.024 0.000 1.122 395 W HN 0.671 nan 8.180 nan 0.000 0.607 396 H N -0.648 118.439 119.070 0.029 0.000 2.261 396 H HA -0.181 4.375 4.556 0.001 0.000 0.301 396 H C 2.213 177.432 175.328 -0.182 0.000 1.067 396 H CA 2.783 58.778 56.048 -0.089 0.000 1.297 396 H CB -0.548 29.099 29.762 -0.193 0.000 1.377 396 H HN -0.165 nan 8.280 nan 0.000 0.492 397 V N 0.829 120.605 119.914 -0.230 0.000 2.278 397 V HA -0.327 3.793 4.120 0.001 0.000 0.251 397 V C 2.619 178.609 176.094 -0.172 0.000 1.062 397 V CA 2.200 64.331 62.300 -0.281 0.000 1.038 397 V CB -0.648 31.045 31.823 -0.216 0.000 0.646 397 V HN 0.459 nan 8.190 nan 0.000 0.447 398 I N -0.473 119.991 120.570 -0.176 0.000 2.163 398 I HA -0.305 3.866 4.170 0.001 0.000 0.243 398 I C 2.735 178.815 176.117 -0.061 0.000 1.085 398 I CA 2.262 63.463 61.300 -0.165 0.000 1.347 398 I CB -0.405 37.403 38.000 -0.320 0.000 1.044 398 I HN 0.310 nan 8.210 nan 0.000 0.408 399 R N 0.889 121.372 120.500 -0.029 0.000 2.062 399 R HA -0.105 4.235 4.340 0.001 0.000 0.229 399 R C 1.945 178.189 176.300 -0.093 0.000 1.128 399 R CA 1.510 57.592 56.100 -0.030 0.000 0.960 399 R CB -0.165 30.118 30.300 -0.029 0.000 0.855 399 R HN 0.312 nan 8.270 nan 0.000 0.432 400 N N 0.142 118.726 118.700 -0.193 0.000 2.446 400 N HA 0.008 4.748 4.740 0.001 0.000 0.179 400 N C 0.119 175.628 175.510 -0.001 0.000 1.054 400 N CA 0.330 53.296 53.050 -0.140 0.000 0.905 400 N CB 0.549 38.869 38.487 -0.278 0.000 0.973 400 N HN 0.018 nan 8.380 nan 0.000 0.448 401 V N 0.000 119.919 119.914 0.008 0.000 2.409 401 V HA 0.000 4.120 4.120 0.001 0.000 0.244 401 V CA 0.000 62.339 62.300 0.065 0.000 1.235 401 V CB 0.000 31.890 31.823 0.111 0.000 1.184 401 V HN 0.000 nan 8.190 nan 0.000 0.556