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_C 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 0.000 177.524 177.584 -0.100 0.000 1.274 1 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 1 A CB 0.000 19.090 19.000 0.151 0.000 0.831 2 Q N -0.616 119.183 119.800 -0.003 0.000 2.279 2 Q HA 0.275 4.616 4.340 0.002 0.000 0.261 2 Q C -0.283 175.728 176.000 0.019 0.000 0.796 2 Q CA 0.771 56.559 55.803 -0.025 0.000 0.971 2 Q CB 1.455 30.186 28.738 -0.012 0.000 1.179 2 Q HN 0.764 nan 8.270 nan 0.000 0.505 3 S N -1.172 114.596 115.700 0.114 0.000 2.540 3 S HA 0.891 5.362 4.470 0.002 0.000 0.275 3 S C -0.137 174.607 174.600 0.239 0.000 1.123 3 S CA -0.180 58.094 58.200 0.123 0.000 0.907 3 S CB 2.422 65.664 63.200 0.070 0.000 1.081 3 S HN 0.311 nan 8.310 nan 0.000 0.476 4 G N 1.544 110.462 108.800 0.197 0.000 2.398 4 G HA2 0.400 4.361 3.960 0.002 0.000 0.251 4 G HA3 0.400 4.361 3.960 0.002 0.000 0.251 4 G C -2.271 172.685 174.900 0.094 0.000 1.277 4 G CA -0.738 44.450 45.100 0.147 0.000 0.927 4 G HN 0.814 nan 8.290 nan 0.000 0.477 5 Q N -1.418 118.386 119.800 0.006 0.000 2.495 5 Q HA 0.702 5.043 4.340 0.002 0.000 0.287 5 Q C -1.435 174.496 176.000 -0.115 0.000 1.078 5 Q CA -0.974 54.791 55.803 -0.063 0.000 0.793 5 Q CB 3.259 31.914 28.738 -0.138 0.000 1.459 5 Q HN 0.453 nan 8.270 nan 0.000 0.422 6 V N 2.080 121.856 119.914 -0.230 0.000 2.540 6 V HA 0.538 4.659 4.120 0.002 0.000 0.302 6 V C -0.823 174.963 176.094 -0.513 0.000 1.035 6 V CA -0.606 61.424 62.300 -0.451 0.000 0.873 6 V CB 1.643 33.094 31.823 -0.619 0.000 0.992 6 V HN 0.507 nan 8.190 nan 0.000 0.428 7 L N 3.656 124.429 121.223 -0.749 0.000 2.362 7 L HA 0.871 5.212 4.340 0.002 0.000 0.271 7 L C 0.326 176.852 176.870 -0.574 0.000 1.002 7 L CA -0.699 53.751 54.840 -0.649 0.000 0.818 7 L CB 1.941 43.576 42.059 -0.706 0.000 1.298 7 L HN 0.700 nan 8.230 nan 0.000 0.420 8 A N 1.894 124.557 122.820 -0.261 0.000 2.272 8 A HA 0.922 5.243 4.320 0.002 0.000 0.275 8 A C -0.128 177.495 177.584 0.064 0.000 1.096 8 A CA 0.162 52.187 52.037 -0.021 0.000 0.822 8 A CB 1.078 20.069 19.000 -0.014 0.000 1.088 8 A HN 0.934 nan 8.150 nan 0.000 0.495 9 A N -0.842 122.080 122.820 0.170 0.000 2.610 9 A HA 0.700 5.021 4.320 0.002 0.000 0.291 9 A C -1.431 176.212 177.584 0.099 0.000 1.086 9 A CA -0.293 51.836 52.037 0.154 0.000 0.677 9 A CB 0.992 20.152 19.000 0.266 0.000 1.278 9 A HN 1.712 nan 8.150 nan 0.000 0.414 10 L N 1.640 122.897 121.223 0.057 0.000 2.628 10 L HA 0.410 4.751 4.340 0.002 0.000 0.258 10 L C -2.676 174.202 176.870 0.014 0.000 1.027 10 L CA -1.258 53.602 54.840 0.033 0.000 0.910 10 L CB 2.147 44.223 42.059 0.028 0.000 1.157 10 L HN 0.609 nan 8.230 nan 0.000 0.452 11 P HA 0.346 nan 4.420 nan 0.000 0.275 11 P C -0.491 176.805 177.300 -0.007 0.000 1.266 11 P CA -0.161 62.935 63.100 -0.007 0.000 0.793 11 P CB 1.237 32.927 31.700 -0.016 0.000 1.074 12 R N -1.907 118.587 120.500 -0.011 0.000 3.246 12 R HA 0.154 4.495 4.340 0.002 0.000 0.144 12 R C 0.316 176.609 176.300 -0.012 0.000 0.772 12 R CA 0.247 56.342 56.100 -0.009 0.000 1.364 12 R CB -0.253 30.041 30.300 -0.009 0.000 1.665 12 R HN 0.427 nan 8.270 nan 0.000 0.520 13 T N 0.265 114.810 114.554 -0.015 0.000 2.902 13 T HA 0.167 4.518 4.350 0.002 0.000 0.280 13 T C 1.082 175.772 174.700 -0.018 0.000 0.992 13 T CA -0.499 61.592 62.100 -0.015 0.000 1.015 13 T CB 1.786 70.644 68.868 -0.016 0.000 1.044 13 T HN -0.043 nan 8.240 nan 0.000 0.520 14 S N 0.134 115.824 115.700 -0.017 0.000 2.419 14 S HA -0.102 4.369 4.470 0.002 0.000 0.233 14 S C 1.926 176.512 174.600 -0.022 0.000 1.016 14 S CA 0.812 59.001 58.200 -0.019 0.000 0.974 14 S CB -0.221 62.969 63.200 -0.017 0.000 0.786 14 S HN 0.601 nan 8.310 nan 0.000 0.492 15 R N 0.945 121.431 120.500 -0.023 0.000 2.161 15 R HA 0.099 4.440 4.340 0.002 0.000 0.213 15 R C 2.349 178.629 176.300 -0.033 0.000 1.055 15 R CA 0.523 56.608 56.100 -0.026 0.000 0.996 15 R CB -0.011 30.276 30.300 -0.023 0.000 0.901 15 R HN 0.422 nan 8.270 nan 0.000 0.456 16 Q N -0.138 119.642 119.800 -0.033 0.000 1.993 16 Q HA -0.154 4.187 4.340 0.002 0.000 0.202 16 Q C 2.118 178.092 176.000 -0.043 0.000 0.984 16 Q CA 1.843 57.622 55.803 -0.040 0.000 0.837 16 Q CB -0.255 28.464 28.738 -0.032 0.000 0.902 16 Q HN 0.171 nan 8.270 nan 0.000 0.423 17 V N 1.612 121.504 119.914 -0.037 0.000 2.226 17 V HA -0.385 3.736 4.120 0.002 0.000 0.254 17 V C 2.481 178.546 176.094 -0.049 0.000 1.065 17 V CA 2.499 64.774 62.300 -0.042 0.000 1.039 17 V CB -0.839 30.964 31.823 -0.033 0.000 0.653 17 V HN 0.492 nan 8.190 nan 0.000 0.450 18 Q N -0.809 118.966 119.800 -0.040 0.000 2.152 18 Q HA -0.220 4.121 4.340 0.002 0.000 0.206 18 Q C 2.151 178.128 176.000 -0.039 0.000 0.985 18 Q CA 2.339 58.119 55.803 -0.038 0.000 0.863 18 Q CB -0.133 28.587 28.738 -0.029 0.000 0.904 18 Q HN 0.617 nan 8.270 nan 0.000 0.422 19 V N 0.843 120.732 119.914 -0.042 0.000 2.427 19 V HA -0.269 3.852 4.120 0.002 0.000 0.248 19 V C 2.259 178.326 176.094 -0.045 0.000 1.051 19 V CA 1.385 63.664 62.300 -0.036 0.000 1.048 19 V CB -0.497 31.286 31.823 -0.067 0.000 0.666 19 V HN 0.357 nan 8.190 nan 0.000 0.456 20 L N -0.413 120.760 121.223 -0.082 0.000 2.083 20 L HA -0.222 4.119 4.340 0.002 0.000 0.209 20 L C 2.662 179.445 176.870 -0.143 0.000 1.083 20 L CA 1.590 56.342 54.840 -0.147 0.000 0.752 20 L CB -0.627 41.329 42.059 -0.171 0.000 0.899 20 L HN 0.376 nan 8.230 nan 0.000 0.433 21 Q N -0.303 119.440 119.800 -0.095 0.000 2.083 21 Q HA -0.151 4.190 4.340 0.002 0.000 0.198 21 Q C 1.961 177.926 176.000 -0.058 0.000 0.969 21 Q CA 1.426 57.182 55.803 -0.079 0.000 0.838 21 Q CB -0.193 28.507 28.738 -0.062 0.000 0.900 21 Q HN 0.454 nan 8.270 nan 0.000 0.436 22 N N 0.840 119.518 118.700 -0.038 0.000 2.166 22 N HA -0.119 4.622 4.740 0.002 0.000 0.186 22 N C 1.651 177.157 175.510 -0.008 0.000 1.019 22 N CA 0.827 53.865 53.050 -0.021 0.000 0.856 22 N CB -0.156 38.335 38.487 0.006 0.000 0.993 22 N HN 0.117 nan 8.380 nan 0.000 0.426 23 L N -0.039 121.199 121.223 0.024 0.000 2.013 23 L HA -0.246 4.095 4.340 0.002 0.000 0.212 23 L C 2.503 179.411 176.870 0.063 0.000 1.073 23 L CA 1.803 56.706 54.840 0.106 0.000 0.753 23 L CB -0.886 41.204 42.059 0.052 0.000 0.890 23 L HN 0.415 nan 8.230 nan 0.000 0.432 24 T N -4.121 110.418 114.554 -0.025 0.000 2.915 24 T HA -0.139 4.212 4.350 0.002 0.000 0.269 24 T C 1.717 176.410 174.700 -0.012 0.000 1.071 24 T CA 1.547 63.636 62.100 -0.018 0.000 1.132 24 T CB -0.403 68.433 68.868 -0.053 0.000 0.878 24 T HN 0.275 nan 8.240 nan 0.000 0.479 25 T N 2.427 116.958 114.554 -0.039 0.000 2.643 25 T HA -0.114 4.237 4.350 0.002 0.000 0.264 25 T C 2.250 176.895 174.700 -0.092 0.000 1.045 25 T CA 2.257 64.323 62.100 -0.057 0.000 1.155 25 T CB -1.030 67.797 68.868 -0.067 0.000 0.863 25 T HN 0.659 nan 8.240 nan 0.000 0.420 26 T N 0.643 115.096 114.554 -0.168 0.000 2.698 26 T HA 0.021 4.372 4.350 0.002 0.000 0.260 26 T C 0.811 175.291 174.700 -0.367 0.000 1.044 26 T CA 0.902 62.785 62.100 -0.361 0.000 1.149 26 T CB -0.513 67.956 68.868 -0.665 0.000 0.864 26 T HN 0.290 nan 8.240 nan 0.000 0.419 27 Y N 1.564 121.846 120.300 -0.028 0.000 2.340 27 Y HA 0.464 5.015 4.550 0.002 0.000 0.327 27 Y C 0.662 176.553 175.900 -0.015 0.000 1.321 27 Y CA -1.309 56.775 58.100 -0.026 0.000 1.433 27 Y CB 0.312 38.755 38.460 -0.029 0.000 1.373 27 Y HN 0.054 nan 8.280 nan 0.000 0.538 28 E N 1.454 121.751 120.200 0.162 0.000 1.932 28 E HA 0.331 4.682 4.350 0.002 0.000 0.259 28 E C -1.214 175.416 176.600 0.050 0.000 1.099 28 E CA 0.127 56.584 56.400 0.094 0.000 0.970 28 E CB -0.255 29.493 29.700 0.079 0.000 1.143 28 E HN 0.312 nan 8.360 nan 0.000 0.441 29 I N 2.407 123.032 120.570 0.093 0.000 2.436 29 I HA 0.277 4.448 4.170 0.002 0.000 0.289 29 I C -0.640 175.588 176.117 0.185 0.000 1.010 29 I CA -1.184 60.177 61.300 0.101 0.000 1.098 29 I CB 1.825 39.888 38.000 0.105 0.000 1.266 29 I HN 0.051 nan 8.210 nan 0.000 0.434 30 V N 7.134 127.229 119.914 0.301 0.000 2.350 30 V HA 0.355 4.476 4.120 0.002 0.000 0.276 30 V C 0.238 176.585 176.094 0.422 0.000 1.028 30 V CA -0.584 61.953 62.300 0.395 0.000 0.860 30 V CB 1.227 33.384 31.823 0.556 0.000 0.990 30 V HN 0.480 nan 8.190 nan 0.000 0.453 31 L N 3.751 125.189 121.223 0.358 0.000 2.436 31 L HA 0.253 4.594 4.340 0.002 0.000 0.265 31 L C 0.515 177.769 176.870 0.640 0.000 1.168 31 L CA 0.491 55.563 54.840 0.387 0.000 0.815 31 L CB 0.629 42.814 42.059 0.210 0.000 1.109 31 L HN 0.654 nan 8.230 nan 0.000 0.462 32 W N -0.735 120.730 121.300 0.274 0.000 4.019 32 W HA 0.263 4.924 4.660 0.002 0.000 0.212 32 W C 0.765 177.350 176.519 0.111 0.000 0.900 32 W CA -0.133 57.369 57.345 0.262 0.000 2.352 32 W CB -0.206 29.389 29.460 0.226 0.000 1.066 32 W HN 0.368 nan 8.180 nan 0.000 0.765 33 Q N 0.806 120.828 119.800 0.370 0.000 2.199 33 Q HA 0.267 4.608 4.340 0.002 0.000 0.232 33 Q C -2.141 173.912 176.000 0.088 0.000 0.969 33 Q CA -1.704 54.156 55.803 0.095 0.000 0.925 33 Q CB 0.596 29.265 28.738 -0.115 0.000 1.198 33 Q HN -0.373 nan 8.270 nan 0.000 0.494 34 P HA -0.252 nan 4.420 nan 0.000 0.260 34 P C 0.147 177.457 177.300 0.016 0.000 1.092 34 P CA 0.542 63.661 63.100 0.033 0.000 0.750 34 P CB 0.127 31.823 31.700 -0.007 0.000 0.670 35 V N 2.019 121.886 119.914 -0.079 0.000 2.469 35 V HA -0.172 3.949 4.120 0.002 0.000 0.251 35 V C 1.395 177.458 176.094 -0.052 0.000 1.064 35 V CA 2.639 64.899 62.300 -0.067 0.000 1.066 35 V CB -1.045 30.655 31.823 -0.205 0.000 0.667 35 V HN 0.803 nan 8.190 nan 0.000 0.461 36 T N -4.410 110.084 114.554 -0.101 0.000 2.903 36 T HA 0.729 5.080 4.350 0.002 0.000 0.299 36 T C 0.855 175.512 174.700 -0.072 0.000 1.093 36 T CA -0.142 61.915 62.100 -0.073 0.000 1.002 36 T CB 2.032 70.843 68.868 -0.096 0.000 1.127 36 T HN 0.125 nan 8.240 nan 0.000 0.488 37 A N 2.218 125.003 122.820 -0.059 0.000 1.900 37 A HA -0.302 4.019 4.320 0.002 0.000 0.225 37 A C 1.882 179.424 177.584 -0.070 0.000 1.414 37 A CA 2.646 54.642 52.037 -0.068 0.000 0.702 37 A CB -1.538 17.425 19.000 -0.061 0.000 0.845 37 A HN 1.059 nan 8.150 nan 0.000 0.478 38 D N -0.463 119.895 120.400 -0.071 0.000 2.420 38 D HA -0.053 4.588 4.640 0.002 0.000 0.233 38 D C 1.223 177.483 176.300 -0.067 0.000 1.017 38 D CA 0.991 54.951 54.000 -0.066 0.000 0.951 38 D CB -0.242 40.518 40.800 -0.066 0.000 0.877 38 D HN 0.536 nan 8.370 nan 0.000 0.528 39 L N -0.165 121.015 121.223 -0.073 0.000 2.731 39 L HA 0.266 4.607 4.340 0.002 0.000 0.240 39 L C 0.757 177.608 176.870 -0.031 0.000 1.120 39 L CA -0.214 54.589 54.840 -0.061 0.000 0.913 39 L CB 0.531 42.526 42.059 -0.107 0.000 1.213 39 L HN -0.121 nan 8.230 nan 0.000 0.515 40 I N 1.951 122.498 120.570 -0.039 0.000 2.406 40 I HA 0.042 4.213 4.170 0.002 0.000 0.293 40 I C -0.042 176.061 176.117 -0.025 0.000 1.101 40 I CA -0.241 61.039 61.300 -0.032 0.000 1.334 40 I CB 0.497 38.468 38.000 -0.049 0.000 1.421 40 I HN -0.163 nan 8.210 nan 0.000 0.513 41 V N 3.901 123.806 119.914 -0.014 0.000 2.313 41 V HA 0.440 4.561 4.120 0.002 0.000 0.278 41 V C 0.746 176.834 176.094 -0.010 0.000 1.017 41 V CA -0.817 61.477 62.300 -0.011 0.000 0.823 41 V CB 0.748 32.568 31.823 -0.005 0.000 1.010 41 V HN 0.850 nan 8.190 nan 0.000 0.443 42 K N 2.662 123.054 120.400 -0.013 0.000 3.765 42 K HA -0.336 3.985 4.320 0.002 0.000 0.216 42 K C 0.611 177.207 176.600 -0.007 0.000 0.731 42 K CA 2.716 58.997 56.287 -0.011 0.000 0.732 42 K CB -0.584 31.910 32.500 -0.010 0.000 0.745 42 K HN 0.796 nan 8.250 nan 0.000 0.814 43 K N 2.336 122.733 120.400 -0.004 0.000 2.502 43 K HA 0.174 4.495 4.320 0.002 0.000 0.244 43 K C -0.491 176.111 176.600 0.002 0.000 1.249 43 K CA 0.149 56.436 56.287 -0.001 0.000 1.193 43 K CB 0.426 32.926 32.500 -0.001 0.000 1.674 43 K HN 0.122 nan 8.250 nan 0.000 0.302 44 K N 0.898 121.299 120.400 0.002 0.000 2.551 44 K HA 0.180 4.501 4.320 0.002 0.000 0.269 44 K C -0.914 175.686 176.600 0.000 0.000 0.949 44 K CA -0.825 55.463 56.287 0.002 0.000 0.849 44 K CB 2.418 34.917 32.500 -0.002 0.000 1.411 44 K HN 0.204 nan 8.250 nan 0.000 0.432 45 Q N 0.925 120.722 119.800 -0.005 0.000 2.394 45 Q HA 0.360 4.701 4.340 0.002 0.000 0.248 45 Q C -0.917 175.030 176.000 -0.089 0.000 0.992 45 Q CA -0.281 55.517 55.803 -0.009 0.000 0.888 45 Q CB 1.057 29.820 28.738 0.042 0.000 1.257 45 Q HN 0.279 nan 8.270 nan 0.000 0.462 46 V N 2.447 122.344 119.914 -0.029 0.000 2.686 46 V HA 0.367 4.488 4.120 0.002 0.000 0.306 46 V C -1.304 174.907 176.094 0.195 0.000 1.065 46 V CA -0.854 61.450 62.300 0.006 0.000 0.894 46 V CB 1.704 33.581 31.823 0.090 0.000 1.004 46 V HN 0.835 nan 8.190 nan 0.000 0.424 47 H N 4.920 124.163 119.070 0.288 0.000 2.538 47 H HA 0.835 5.392 4.556 0.002 0.000 0.353 47 H C -1.023 174.475 175.328 0.284 0.000 1.109 47 H CA -0.716 55.450 56.048 0.195 0.000 1.192 47 H CB 2.048 31.926 29.762 0.194 0.000 1.555 47 H HN 0.678 nan 8.280 nan 0.000 0.518 48 F N 0.439 120.329 119.950 -0.100 0.000 2.703 48 F HA 0.387 4.915 4.527 0.002 0.000 0.308 48 F C -2.002 173.597 175.800 -0.336 0.000 1.126 48 F CA -1.664 56.212 58.000 -0.206 0.000 0.959 48 F CB 0.741 39.710 39.000 -0.051 0.000 1.297 48 F HN 0.395 nan 8.300 nan 0.000 0.441 49 F N 2.768 122.490 119.950 -0.381 0.000 2.399 49 F HA 0.824 5.352 4.527 0.002 0.000 0.334 49 F C -1.391 174.363 175.800 -0.076 0.000 1.097 49 F CA -1.257 56.525 58.000 -0.362 0.000 1.076 49 F CB 1.624 40.474 39.000 -0.249 0.000 1.162 49 F HN 0.428 nan 8.300 nan 0.000 0.495 50 V N 5.521 124.841 119.914 -0.990 0.000 2.482 50 V HA 0.242 4.363 4.120 0.002 0.000 0.295 50 V C -0.359 175.167 176.094 -0.946 0.000 1.026 50 V CA -1.070 60.774 62.300 -0.760 0.000 0.856 50 V CB 1.321 32.937 31.823 -0.345 0.000 1.001 50 V HN 0.845 nan 8.190 nan 0.000 0.424 51 N N 2.471 120.700 118.700 -0.784 0.000 2.415 51 N HA 0.384 5.125 4.740 0.002 0.000 0.248 51 N C 1.354 176.758 175.510 -0.176 0.000 1.271 51 N CA 0.631 53.445 53.050 -0.393 0.000 0.913 51 N CB 1.410 39.825 38.487 -0.121 0.000 1.129 51 N HN 0.801 nan 8.380 nan 0.000 0.444 52 A N 1.492 124.277 122.820 -0.057 0.000 1.863 52 A HA -0.292 4.029 4.320 0.002 0.000 0.218 52 A C 2.161 179.715 177.584 -0.049 0.000 1.233 52 A CA 2.777 54.791 52.037 -0.038 0.000 0.655 52 A CB -1.633 17.369 19.000 0.004 0.000 0.839 52 A HN 0.831 nan 8.150 nan 0.000 0.454 53 S N 0.251 115.937 115.700 -0.023 0.000 2.399 53 S HA -0.246 4.225 4.470 0.002 0.000 0.235 53 S C 0.962 175.542 174.600 -0.033 0.000 1.063 53 S CA 1.822 60.014 58.200 -0.013 0.000 1.070 53 S CB -0.658 62.550 63.200 0.013 0.000 0.904 53 S HN 0.632 nan 8.310 nan 0.000 0.456 54 D N 0.409 120.773 120.400 -0.061 0.000 2.363 54 D HA 0.325 4.966 4.640 0.002 0.000 0.214 54 D C 1.640 177.801 176.300 -0.231 0.000 1.093 54 D CA -0.022 53.902 54.000 -0.126 0.000 0.837 54 D CB 0.143 40.913 40.800 -0.050 0.000 0.948 54 D HN 0.312 nan 8.370 nan 0.000 0.507 55 V N 1.283 121.093 119.914 -0.173 0.000 2.220 55 V HA -0.263 3.858 4.120 0.002 0.000 0.246 55 V C 1.955 177.949 176.094 -0.167 0.000 1.049 55 V CA 1.889 64.082 62.300 -0.178 0.000 1.003 55 V CB -0.274 31.470 31.823 -0.133 0.000 0.634 55 V HN 0.070 nan 8.190 nan 0.000 0.444 56 D N 0.299 120.623 120.400 -0.126 0.000 2.106 56 D HA -0.156 4.485 4.640 0.002 0.000 0.191 56 D C 2.065 178.294 176.300 -0.118 0.000 0.997 56 D CA 1.468 55.408 54.000 -0.099 0.000 0.834 56 D CB -0.538 40.222 40.800 -0.066 0.000 0.956 56 D HN 0.418 nan 8.370 nan 0.000 0.448 57 N N 0.229 118.836 118.700 -0.155 0.000 2.166 57 N HA -0.101 4.640 4.740 0.002 0.000 0.186 57 N C 2.007 177.363 175.510 -0.257 0.000 1.019 57 N CA 0.498 53.447 53.050 -0.167 0.000 0.856 57 N CB -0.275 38.125 38.487 -0.145 0.000 0.993 57 N HN 0.126 nan 8.380 nan 0.000 0.426 58 V N 1.709 121.367 119.914 -0.427 0.000 2.379 58 V HA -0.156 3.965 4.120 0.002 0.000 0.245 58 V C 2.312 178.338 176.094 -0.114 0.000 1.044 58 V CA 1.375 63.440 62.300 -0.391 0.000 1.036 58 V CB -0.356 31.223 31.823 -0.406 0.000 0.664 58 V HN 0.246 nan 8.190 nan 0.000 0.453 59 K N 0.343 120.680 120.400 -0.105 0.000 2.063 59 K HA -0.145 4.176 4.320 0.002 0.000 0.208 59 K C 2.157 178.740 176.600 -0.028 0.000 1.048 59 K CA 1.584 57.837 56.287 -0.057 0.000 0.928 59 K CB -0.393 32.065 32.500 -0.071 0.000 0.713 59 K HN 0.468 nan 8.250 nan 0.000 0.442 60 A N 0.218 123.022 122.820 -0.027 0.000 2.168 60 A HA -0.159 4.162 4.320 0.002 0.000 0.215 60 A C 1.714 179.348 177.584 0.084 0.000 1.152 60 A CA 1.115 53.159 52.037 0.011 0.000 0.716 60 A CB -0.523 18.477 19.000 0.001 0.000 0.794 60 A HN 0.392 nan 8.150 nan 0.000 0.465 61 H N -1.212 117.839 119.070 -0.032 0.000 2.604 61 H HA 0.238 4.795 4.556 0.002 0.000 0.273 61 H C 1.698 177.033 175.328 0.012 0.000 0.971 61 H CA 0.253 56.310 56.048 0.014 0.000 1.249 61 H CB 0.234 30.040 29.762 0.074 0.000 1.449 61 H HN 0.409 nan 8.280 nan 0.000 0.512 62 L N 0.828 122.031 121.223 -0.032 0.000 2.027 62 L HA -0.210 4.131 4.340 0.002 0.000 0.206 62 L C 2.645 179.474 176.870 -0.068 0.000 1.074 62 L CA 1.153 55.952 54.840 -0.069 0.000 0.745 62 L CB -0.606 41.448 42.059 -0.008 0.000 0.898 62 L HN 0.380 nan 8.230 nan 0.000 0.433 63 N N 0.477 119.155 118.700 -0.036 0.000 2.037 63 N HA -0.207 4.534 4.740 0.002 0.000 0.196 63 N C 1.652 177.142 175.510 -0.035 0.000 1.034 63 N CA 2.243 55.276 53.050 -0.029 0.000 0.861 63 N CB -0.012 38.465 38.487 -0.016 0.000 1.039 63 N HN 0.136 nan 8.380 nan 0.000 0.427 64 V N 0.516 120.409 119.914 -0.035 0.000 2.871 64 V HA -0.034 4.087 4.120 0.002 0.000 0.256 64 V C 1.978 178.034 176.094 -0.062 0.000 1.082 64 V CA 1.172 63.455 62.300 -0.030 0.000 1.105 64 V CB -0.242 31.585 31.823 0.007 0.000 0.713 64 V HN 0.260 nan 8.190 nan 0.000 0.473 65 S N 0.416 116.045 115.700 -0.119 0.000 2.607 65 S HA 0.199 4.670 4.470 0.002 0.000 0.224 65 S C 1.682 176.235 174.600 -0.077 0.000 0.969 65 S CA 0.721 58.844 58.200 -0.128 0.000 0.927 65 S CB -0.146 62.924 63.200 -0.216 0.000 0.772 65 S HN 0.912 nan 8.310 nan 0.000 0.533 66 G N 1.607 110.373 108.800 -0.056 0.000 2.198 66 G HA2 -0.267 3.694 3.960 0.002 0.000 0.260 66 G HA3 -0.267 3.694 3.960 0.002 0.000 0.260 66 G C 0.005 174.885 174.900 -0.035 0.000 1.025 66 G CA -0.090 44.987 45.100 -0.038 0.000 0.769 66 G HN 0.537 nan 8.290 nan 0.000 0.507 67 I N 2.001 122.547 120.570 -0.039 0.000 2.396 67 I HA 0.321 4.492 4.170 0.002 0.000 0.292 67 I C -1.217 174.891 176.117 -0.015 0.000 0.999 67 I CA -2.131 59.153 61.300 -0.026 0.000 1.310 67 I CB 1.307 39.291 38.000 -0.028 0.000 1.404 67 I HN -0.011 nan 8.210 nan 0.000 0.496 68 P HA 0.349 nan 4.420 nan 0.000 0.281 68 P C -1.006 176.296 177.300 0.003 0.000 1.249 68 P CA -0.359 62.737 63.100 -0.006 0.000 0.810 68 P CB 1.306 33.003 31.700 -0.005 0.000 1.008 69 C N -1.066 118.229 119.300 -0.007 0.000 3.259 69 C HA 0.855 5.316 4.460 0.002 0.000 0.344 69 C C -0.805 174.162 174.990 -0.039 0.000 1.401 69 C CA -0.455 58.557 59.018 -0.010 0.000 1.219 69 C CB 1.306 29.044 27.740 -0.003 0.000 1.521 69 C HN 0.780 nan 8.230 nan 0.000 0.455 70 S N -0.361 115.301 115.700 -0.065 0.000 2.651 70 S HA 0.798 5.269 4.470 0.002 0.000 0.279 70 S C -1.425 173.092 174.600 -0.137 0.000 1.148 70 S CA -0.657 57.488 58.200 -0.091 0.000 0.837 70 S CB 1.207 64.354 63.200 -0.089 0.000 1.138 70 S HN 1.513 nan 8.310 nan 0.000 0.478 71 V N 2.589 122.418 119.914 -0.142 0.000 2.364 71 V HA 0.280 4.401 4.120 0.002 0.000 0.272 71 V C 0.195 176.174 176.094 -0.192 0.000 1.036 71 V CA -0.455 61.739 62.300 -0.177 0.000 0.880 71 V CB 0.864 32.601 31.823 -0.144 0.000 0.991 71 V HN 0.850 nan 8.190 nan 0.000 0.460 72 L N 5.740 126.814 121.223 -0.247 0.000 2.249 72 L HA 0.297 4.638 4.340 0.002 0.000 0.207 72 L C 0.503 177.222 176.870 -0.251 0.000 1.090 72 L CA 1.446 56.120 54.840 -0.277 0.000 0.802 72 L CB -0.105 41.745 42.059 -0.349 0.000 0.947 72 L HN 0.428 nan 8.230 nan 0.000 0.453 73 L N -1.399 119.697 121.223 -0.212 0.000 2.415 73 L HA 0.383 4.724 4.340 0.002 0.000 0.268 73 L C 1.008 177.818 176.870 -0.101 0.000 0.984 73 L CA -0.362 54.401 54.840 -0.129 0.000 0.853 73 L CB 1.580 43.587 42.059 -0.088 0.000 1.215 73 L HN -0.064 nan 8.230 nan 0.000 0.419 74 A N 1.883 124.658 122.820 -0.075 0.000 1.883 74 A HA -0.140 4.181 4.320 0.002 0.000 0.217 74 A C 0.679 178.239 177.584 -0.039 0.000 1.186 74 A CA 1.614 53.615 52.037 -0.061 0.000 0.624 74 A CB -0.111 18.862 19.000 -0.046 0.000 0.822 74 A HN 0.690 nan 8.150 nan 0.000 0.444 75 D N -1.448 118.939 120.400 -0.020 0.000 2.421 75 D HA 0.424 5.065 4.640 0.002 0.000 0.254 75 D C 0.442 176.741 176.300 -0.003 0.000 1.238 75 D CA -0.349 53.647 54.000 -0.007 0.000 0.919 75 D CB 1.470 42.267 40.800 -0.006 0.000 1.152 75 D HN -0.096 nan 8.370 nan 0.000 0.552 76 V N 3.400 123.319 119.914 0.008 0.000 3.217 76 V HA -0.061 4.060 4.120 0.002 0.000 0.264 76 V C 2.164 178.230 176.094 -0.046 0.000 1.135 76 V CA 0.972 63.262 62.300 -0.016 0.000 1.142 76 V CB -0.269 31.556 31.823 0.004 0.000 0.754 76 V HN 0.611 nan 8.190 nan 0.000 0.484 77 E N 0.778 120.966 120.200 -0.020 0.000 2.072 77 E HA -0.264 4.087 4.350 0.002 0.000 0.190 77 E C 1.841 178.415 176.600 -0.044 0.000 0.982 77 E CA 1.629 58.011 56.400 -0.031 0.000 0.803 77 E CB 0.046 29.741 29.700 -0.008 0.000 0.755 77 E HN 0.603 nan 8.360 nan 0.000 0.453 78 D N 0.190 120.572 120.400 -0.030 0.000 2.162 78 D HA -0.052 4.589 4.640 0.002 0.000 0.205 78 D C 2.296 178.572 176.300 -0.040 0.000 0.964 78 D CA 0.513 54.498 54.000 -0.026 0.000 0.847 78 D CB -0.162 40.632 40.800 -0.010 0.000 0.988 78 D HN 0.168 nan 8.370 nan 0.000 0.480 79 L N 0.317 121.514 121.223 -0.044 0.000 1.997 79 L HA -0.222 4.119 4.340 0.002 0.000 0.216 79 L C 2.565 179.359 176.870 -0.127 0.000 1.074 79 L CA 1.086 55.888 54.840 -0.063 0.000 0.763 79 L CB -0.362 41.672 42.059 -0.041 0.000 0.890 79 L HN 0.163 nan 8.230 nan 0.000 0.434 80 I N -1.181 119.283 120.570 -0.177 0.000 2.163 80 I HA -0.316 3.855 4.170 0.002 0.000 0.243 80 I C 2.649 178.647 176.117 -0.197 0.000 1.085 80 I CA 1.214 62.347 61.300 -0.279 0.000 1.347 80 I CB -0.361 37.470 38.000 -0.282 0.000 1.044 80 I HN 0.381 nan 8.210 nan 0.000 0.408 81 Q N 0.337 120.069 119.800 -0.112 0.000 2.224 81 Q HA -0.188 4.153 4.340 0.002 0.000 0.203 81 Q C 2.155 178.141 176.000 -0.023 0.000 0.970 81 Q CA 1.368 57.137 55.803 -0.057 0.000 0.865 81 Q CB -0.030 28.690 28.738 -0.031 0.000 0.922 81 Q HN 0.617 nan 8.270 nan 0.000 0.445 82 Q N -0.076 119.709 119.800 -0.026 0.000 2.046 82 Q HA -0.156 4.185 4.340 0.002 0.000 0.200 82 Q C 2.149 178.168 176.000 0.032 0.000 0.975 82 Q CA 1.028 56.834 55.803 0.005 0.000 0.836 82 Q CB 0.001 28.738 28.738 -0.002 0.000 0.896 82 Q HN 0.421 nan 8.270 nan 0.000 0.428 83 Q N 0.409 120.214 119.800 0.009 0.000 2.077 83 Q HA -0.200 4.141 4.340 0.002 0.000 0.206 83 Q C 2.147 178.231 176.000 0.140 0.000 0.989 83 Q CA 1.337 57.200 55.803 0.099 0.000 0.853 83 Q CB -0.245 28.481 28.738 -0.020 0.000 0.907 83 Q HN 0.437 nan 8.270 nan 0.000 0.418 84 I N 0.930 121.506 120.570 0.010 0.000 2.264 84 I HA -0.304 3.867 4.170 0.002 0.000 0.248 84 I C 2.670 178.946 176.117 0.266 0.000 1.111 84 I CA 1.377 62.732 61.300 0.092 0.000 1.382 84 I CB -0.440 37.590 38.000 0.049 0.000 1.060 84 I HN 0.265 nan 8.210 nan 0.000 0.418 85 S N 0.724 116.520 115.700 0.160 0.000 2.383 85 S HA -0.139 4.332 4.470 0.002 0.000 0.227 85 S C 1.737 176.427 174.600 0.149 0.000 1.026 85 S CA 1.298 59.581 58.200 0.138 0.000 0.981 85 S CB -0.407 62.844 63.200 0.085 0.000 0.818 85 S HN 0.376 nan 8.310 nan 0.000 0.472 86 N N 1.901 120.694 118.700 0.155 0.000 2.446 86 N HA 0.091 4.832 4.740 0.002 0.000 0.179 86 N C -0.161 175.458 175.510 0.180 0.000 1.054 86 N CA 0.482 53.611 53.050 0.131 0.000 0.905 86 N CB -0.580 37.957 38.487 0.083 0.000 0.973 86 N HN 0.520 nan 8.380 nan 0.000 0.448 87 D N 0.567 121.137 120.400 0.284 0.000 2.536 87 D HA -0.077 4.564 4.640 0.002 0.000 0.260 87 D C 0.360 176.767 176.300 0.177 0.000 1.270 87 D CA 1.122 55.327 54.000 0.342 0.000 0.934 87 D CB -0.067 40.982 40.800 0.416 0.000 1.129 87 D HN 0.184 nan 8.370 nan 0.000 0.533 88 T N 1.577 116.204 114.554 0.121 0.000 5.333 88 T HA -0.189 4.162 4.350 0.002 0.000 0.267 88 T C 1.214 175.952 174.700 0.063 0.000 2.218 88 T CA 0.712 62.848 62.100 0.060 0.000 3.800 88 T CB -1.318 67.570 68.868 0.034 0.000 0.308 88 T HN 0.226 nan 8.240 nan 0.000 1.059 89 V N 1.477 121.441 119.914 0.084 0.000 2.223 89 V HA -0.005 4.117 4.120 0.002 0.000 0.244 89 V C 1.654 177.778 176.094 0.050 0.000 1.045 89 V CA 2.113 64.450 62.300 0.061 0.000 1.000 89 V CB -0.433 31.427 31.823 0.061 0.000 0.635 89 V HN 0.892 nan 8.190 nan 0.000 0.445 90 S N 1.153 116.896 115.700 0.072 0.000 2.632 90 S HA 0.461 4.932 4.470 0.002 0.000 0.271 90 S C -2.340 172.286 174.600 0.042 0.000 1.260 90 S CA -1.253 56.982 58.200 0.057 0.000 1.010 90 S CB 0.952 64.195 63.200 0.072 0.000 0.965 90 S HN 0.316 nan 8.310 nan 0.000 0.534 91 P HA 0.211 nan 4.420 nan 0.000 0.274 91 P C -0.732 176.387 177.300 -0.301 0.000 1.260 91 P CA -0.619 62.400 63.100 -0.134 0.000 0.793 91 P CB 0.455 32.080 31.700 -0.125 0.000 1.048 92 R N 0.532 120.718 120.500 -0.524 0.000 2.242 92 R HA 0.395 4.736 4.340 0.002 0.000 0.334 92 R C 0.459 176.249 176.300 -0.850 0.000 1.071 92 R CA 0.750 56.260 56.100 -0.983 0.000 0.922 92 R CB -0.739 28.958 30.300 -1.005 0.000 1.023 92 R HN 0.665 nan 8.270 nan 0.000 0.458 93 A N 1.913 124.184 122.820 -0.916 0.000 3.686 93 A HA -0.186 4.135 4.320 0.002 0.000 0.220 93 A C 0.449 178.031 177.584 -0.003 0.000 1.167 93 A CA 0.707 52.623 52.037 -0.203 0.000 1.575 93 A CB -2.193 17.047 19.000 0.400 0.000 0.948 93 A HN 0.794 nan 8.150 nan 0.000 0.820 94 S N -0.107 115.520 115.700 -0.122 0.000 2.572 94 S HA 0.577 5.048 4.470 0.002 0.000 0.267 94 S C 1.651 176.341 174.600 0.149 0.000 1.361 94 S CA 0.540 58.754 58.200 0.022 0.000 1.009 94 S CB 0.999 64.201 63.200 0.002 0.000 0.888 94 S HN 2.001 nan 8.310 nan 0.000 0.553 95 A N 2.001 124.917 122.820 0.160 0.000 1.869 95 A HA -0.137 4.184 4.320 0.002 0.000 0.218 95 A C 2.485 180.216 177.584 0.245 0.000 1.203 95 A CA 2.530 54.697 52.037 0.217 0.000 0.638 95 A CB -1.795 17.288 19.000 0.138 0.000 0.831 95 A HN 1.626 nan 8.150 nan 0.000 0.450 96 S N -2.281 113.508 115.700 0.148 0.000 2.607 96 S HA -0.073 4.398 4.470 0.002 0.000 0.224 96 S C 1.574 176.235 174.600 0.102 0.000 0.969 96 S CA 0.921 59.193 58.200 0.120 0.000 0.927 96 S CB -0.630 62.616 63.200 0.077 0.000 0.772 96 S HN 0.574 nan 8.310 nan 0.000 0.533 97 Y N 1.961 122.203 120.300 -0.098 0.000 2.242 97 Y HA -0.017 4.534 4.550 0.002 0.000 0.291 97 Y C 1.082 176.895 175.900 -0.146 0.000 1.137 97 Y CA 1.093 59.072 58.100 -0.202 0.000 1.181 97 Y CB -0.356 37.771 38.460 -0.556 0.000 0.989 97 Y HN 0.359 nan 8.280 nan 0.000 0.527 98 Y N 0.150 120.527 120.300 0.129 0.000 2.471 98 Y HA 0.166 4.716 4.550 0.001 0.000 0.286 98 Y C 0.810 176.744 175.900 0.057 0.000 1.188 98 Y CA 0.156 58.279 58.100 0.039 0.000 1.286 98 Y CB -0.199 38.319 38.460 0.098 0.000 1.072 98 Y HN 0.172 nan 8.280 nan 0.000 0.517 99 E N 0.610 120.860 120.200 0.082 0.000 2.499 99 E HA 0.180 4.531 4.350 0.002 0.000 0.207 99 E C -0.471 175.999 176.600 -0.216 0.000 1.034 99 E CA -0.036 56.349 56.400 -0.026 0.000 1.098 99 E CB 0.206 29.928 29.700 0.036 0.000 1.148 99 E HN 0.441 nan 8.360 nan 0.000 0.447 100 Q N 0.296 119.863 119.800 -0.388 0.000 2.295 100 Q HA 0.272 4.613 4.340 0.002 0.000 0.268 100 Q C -1.299 174.206 176.000 -0.825 0.000 1.010 100 Q CA -0.846 54.655 55.803 -0.502 0.000 0.856 100 Q CB 1.538 30.117 28.738 -0.266 0.000 1.349 100 Q HN 0.141 nan 8.270 nan 0.000 0.412 101 Y N 1.511 121.655 120.300 -0.260 0.000 2.411 101 Y HA 0.204 4.755 4.550 0.002 0.000 0.333 101 Y C 0.403 176.248 175.900 -0.092 0.000 1.186 101 Y CA 0.278 58.299 58.100 -0.131 0.000 1.381 101 Y CB 0.533 39.136 38.460 0.239 0.000 1.273 101 Y HN 0.437 nan 8.280 nan 0.000 0.546 102 H N -0.364 118.879 119.070 0.288 0.000 2.717 102 H HA 0.343 4.900 4.556 0.002 0.000 0.366 102 H C -0.404 174.749 175.328 -0.291 0.000 1.132 102 H CA -1.332 54.710 56.048 -0.009 0.000 1.180 102 H CB 1.766 31.399 29.762 -0.214 0.000 1.678 102 H HN 0.632 nan 8.280 nan 0.000 0.537 103 S N 1.361 116.550 115.700 -0.851 0.000 2.585 103 S HA 0.018 4.489 4.470 0.002 0.000 0.273 103 S C 1.526 175.754 174.600 -0.621 0.000 1.339 103 S CA -0.697 56.561 58.200 -1.570 0.000 1.028 103 S CB 1.055 63.376 63.200 -1.465 0.000 0.906 103 S HN 0.540 nan 8.310 nan 0.000 0.528 104 L N 1.724 122.638 121.223 -0.515 0.000 2.021 104 L HA -0.183 4.158 4.340 0.002 0.000 0.215 104 L C 2.109 178.808 176.870 -0.286 0.000 1.074 104 L CA 2.348 57.018 54.840 -0.283 0.000 0.760 104 L CB -1.522 40.395 42.059 -0.236 0.000 0.889 104 L HN 0.888 nan 8.230 nan 0.000 0.433 105 N N -0.756 117.828 118.700 -0.194 0.000 2.223 105 N HA -0.228 4.513 4.740 0.002 0.000 0.185 105 N C 1.816 177.347 175.510 0.034 0.000 1.016 105 N CA 1.267 54.325 53.050 0.013 0.000 0.863 105 N CB -0.103 38.392 38.487 0.013 0.000 0.983 105 N HN 0.560 nan 8.380 nan 0.000 0.429 106 E N 0.499 120.652 120.200 -0.077 0.000 2.028 106 E HA -0.069 4.282 4.350 0.002 0.000 0.191 106 E C 1.946 178.605 176.600 0.098 0.000 0.988 106 E CA 1.125 57.511 56.400 -0.023 0.000 0.799 106 E CB -0.491 29.133 29.700 -0.127 0.000 0.755 106 E HN 0.429 nan 8.360 nan 0.000 0.447 107 I N -0.009 120.597 120.570 0.060 0.000 2.087 107 I HA -0.373 3.798 4.170 0.002 0.000 0.240 107 I C 2.022 178.331 176.117 0.319 0.000 1.054 107 I CA 1.639 63.050 61.300 0.185 0.000 1.311 107 I CB -0.446 37.557 38.000 0.005 0.000 1.024 107 I HN 0.233 nan 8.210 nan 0.000 0.402 108 Y N 1.085 121.519 120.300 0.223 0.000 2.096 108 Y HA -0.324 4.227 4.550 0.002 0.000 0.278 108 Y C 2.962 178.966 175.900 0.174 0.000 1.192 108 Y CA 1.697 59.928 58.100 0.220 0.000 1.143 108 Y CB -1.243 37.338 38.460 0.202 0.000 0.963 108 Y HN 0.211 nan 8.280 nan 0.000 0.505 109 S N -1.546 114.341 115.700 0.313 0.000 2.423 109 S HA -0.212 4.259 4.470 0.002 0.000 0.231 109 S C 1.654 176.400 174.600 0.243 0.000 1.014 109 S CA 1.057 59.382 58.200 0.209 0.000 0.965 109 S CB -0.694 62.585 63.200 0.131 0.000 0.785 109 S HN 0.707 nan 8.310 nan 0.000 0.495 110 W N 2.454 123.831 121.300 0.129 0.000 2.408 110 W HA 0.062 4.723 4.660 0.003 0.000 0.311 110 W C 1.603 178.243 176.519 0.201 0.000 1.190 110 W CA 0.631 58.077 57.345 0.169 0.000 1.321 110 W CB -0.570 29.028 29.460 0.230 0.000 1.143 110 W HN 0.134 nan 8.180 nan 0.000 0.501 111 I N 1.118 121.752 120.570 0.108 0.000 2.185 111 I HA -0.375 3.796 4.170 0.002 0.000 0.246 111 I C 2.479 178.450 176.117 -0.243 0.000 1.088 111 I CA 1.693 62.864 61.300 -0.215 0.000 1.347 111 I CB -0.554 37.483 38.000 0.062 0.000 1.041 111 I HN 0.060 nan 8.210 nan 0.000 0.415 112 E N 0.545 120.697 120.200 -0.080 0.000 2.001 112 E HA -0.242 4.109 4.350 0.002 0.000 0.193 112 E C 2.039 178.577 176.600 -0.103 0.000 0.994 112 E CA 1.395 57.741 56.400 -0.090 0.000 0.815 112 E CB -0.880 28.811 29.700 -0.015 0.000 0.770 112 E HN 0.455 nan 8.360 nan 0.000 0.453 113 F N 1.407 121.263 119.950 -0.156 0.000 2.111 113 F HA -0.285 4.243 4.527 0.002 0.000 0.300 113 F C 2.321 177.998 175.800 -0.204 0.000 1.088 113 F CA 1.502 59.410 58.000 -0.153 0.000 1.243 113 F CB -0.227 38.706 39.000 -0.110 0.000 0.996 113 F HN 0.022 nan 8.300 nan 0.000 0.483 114 I N 0.096 120.444 120.570 -0.369 0.000 2.353 114 I HA -0.208 3.963 4.170 0.002 0.000 0.248 114 I C 2.190 178.100 176.117 -0.346 0.000 1.119 114 I CA 1.900 62.937 61.300 -0.438 0.000 1.417 114 I CB -0.665 36.918 38.000 -0.695 0.000 1.078 114 I HN 0.187 nan 8.210 nan 0.000 0.421 115 T N -0.033 114.318 114.554 -0.339 0.000 2.904 115 T HA -0.088 4.263 4.350 0.002 0.000 0.267 115 T C 1.660 176.229 174.700 -0.219 0.000 1.059 115 T CA 1.259 63.217 62.100 -0.238 0.000 1.137 115 T CB -0.194 68.542 68.868 -0.220 0.000 0.879 115 T HN 0.437 nan 8.240 nan 0.000 0.467 116 E N 0.840 120.879 120.200 -0.268 0.000 2.152 116 E HA -0.036 4.315 4.350 0.002 0.000 0.192 116 E C 2.356 178.763 176.600 -0.322 0.000 0.983 116 E CA 0.535 56.784 56.400 -0.251 0.000 0.818 116 E CB -0.011 29.557 29.700 -0.220 0.000 0.758 116 E HN 0.336 nan 8.360 nan 0.000 0.467 117 R N 0.351 120.556 120.500 -0.491 0.000 2.075 117 R HA -0.047 4.294 4.340 0.002 0.000 0.226 117 R C 0.737 176.693 176.300 -0.574 0.000 1.114 117 R CA 1.005 56.728 56.100 -0.629 0.000 0.972 117 R CB 0.288 30.004 30.300 -0.973 0.000 0.869 117 R HN 0.183 nan 8.270 nan 0.000 0.437 118 H N 0.493 119.400 119.070 -0.272 0.000 2.474 118 H HA 0.209 4.766 4.556 0.001 0.000 0.250 118 H C -1.901 173.324 175.328 -0.171 0.000 1.307 118 H CA -1.740 54.184 56.048 -0.207 0.000 1.058 118 H CB 1.430 31.069 29.762 -0.205 0.000 1.693 118 H HN 0.341 nan 8.280 nan 0.000 0.552 119 P HA -0.155 nan 4.420 nan 0.000 0.218 119 P C 0.861 178.131 177.300 -0.050 0.000 1.149 119 P CA 1.186 64.244 63.100 -0.069 0.000 0.817 119 P CB 0.286 31.939 31.700 -0.079 0.000 0.785 120 D N -1.433 118.937 120.400 -0.051 0.000 2.263 120 D HA -0.135 4.506 4.640 0.002 0.000 0.208 120 D C 1.964 178.212 176.300 -0.086 0.000 0.971 120 D CA 1.225 55.192 54.000 -0.056 0.000 0.867 120 D CB -0.660 40.109 40.800 -0.051 0.000 0.929 120 D HN 0.209 nan 8.370 nan 0.000 0.492 121 M N -0.657 118.882 119.600 -0.101 0.000 2.999 121 M HA 0.245 4.726 4.480 0.002 0.000 0.246 121 M C 0.130 176.382 176.300 -0.079 0.000 1.478 121 M CA 0.089 55.303 55.300 -0.145 0.000 1.243 121 M CB 0.714 33.170 32.600 -0.240 0.000 1.213 121 M HN -0.119 nan 8.290 nan 0.000 0.564 122 L N 1.250 122.434 121.223 -0.066 0.000 2.312 122 L HA 0.362 4.703 4.340 0.002 0.000 0.281 122 L C -0.729 176.128 176.870 -0.023 0.000 1.070 122 L CA -0.392 54.422 54.840 -0.043 0.000 0.805 122 L CB 1.134 43.144 42.059 -0.083 0.000 1.174 122 L HN 0.162 nan 8.230 nan 0.000 0.434 123 T N 1.545 116.113 114.554 0.022 0.000 2.881 123 T HA 0.298 4.649 4.350 0.002 0.000 0.290 123 T C -0.598 174.140 174.700 0.063 0.000 1.000 123 T CA -0.873 61.252 62.100 0.040 0.000 0.978 123 T CB 2.155 71.074 68.868 0.085 0.000 0.997 123 T HN 0.431 nan 8.240 nan 0.000 0.443 124 K N 4.233 124.645 120.400 0.019 0.000 2.263 124 K HA 0.577 4.898 4.320 0.002 0.000 0.272 124 K C -0.450 176.201 176.600 0.085 0.000 1.033 124 K CA -0.807 55.480 56.287 0.000 0.000 0.884 124 K CB 0.437 32.849 32.500 -0.148 0.000 1.107 124 K HN 0.749 nan 8.250 nan 0.000 0.460 125 I N 1.738 122.415 120.570 0.177 0.000 2.545 125 I HA 0.298 4.469 4.170 0.002 0.000 0.292 125 I C -0.882 175.448 176.117 0.354 0.000 1.040 125 I CA -0.835 60.611 61.300 0.244 0.000 1.068 125 I CB 1.822 39.959 38.000 0.227 0.000 1.251 125 I HN 0.723 nan 8.210 nan 0.000 0.424 126 H N 7.515 126.748 119.070 0.272 0.000 2.787 126 H HA 0.357 4.913 4.556 0.001 0.000 0.275 126 H C 0.413 175.807 175.328 0.110 0.000 1.183 126 H CA -0.496 55.694 56.048 0.237 0.000 1.290 126 H CB 1.377 31.283 29.762 0.240 0.000 1.438 126 H HN 0.891 nan 8.280 nan 0.000 0.487 127 I N 1.754 122.213 120.570 -0.185 0.000 3.564 127 I HA 0.387 4.558 4.170 0.002 0.000 0.294 127 I C 0.691 176.669 176.117 -0.232 0.000 1.289 127 I CA 0.486 61.699 61.300 -0.144 0.000 1.325 127 I CB 0.463 38.384 38.000 -0.132 0.000 1.039 127 I HN 0.585 nan 8.210 nan 0.000 0.474 128 G N -0.317 108.153 108.800 -0.551 0.000 2.343 128 G HA2 0.377 4.338 3.960 0.002 0.000 0.289 128 G HA3 0.377 4.338 3.960 0.002 0.000 0.289 128 G C -1.502 173.204 174.900 -0.324 0.000 1.295 128 G CA -0.398 44.462 45.100 -0.399 0.000 0.869 128 G HN 0.097 nan 8.290 nan 0.000 0.522 129 S N -0.867 114.797 115.700 -0.060 0.000 2.548 129 S HA 0.818 5.289 4.470 0.002 0.000 0.286 129 S C 0.582 175.230 174.600 0.079 0.000 1.098 129 S CA 0.089 58.328 58.200 0.065 0.000 0.930 129 S CB 1.661 64.935 63.200 0.123 0.000 1.070 129 S HN 1.639 nan 8.310 nan 0.000 0.480 130 S N 1.476 117.257 115.700 0.134 0.000 2.484 130 S HA 0.406 4.877 4.470 0.002 0.000 0.256 130 S C 0.967 175.688 174.600 0.202 0.000 1.223 130 S CA -0.216 58.095 58.200 0.186 0.000 1.002 130 S CB -0.293 63.054 63.200 0.245 0.000 1.043 130 S HN 0.563 nan 8.310 nan 0.000 0.517 131 F N 1.523 121.533 119.950 0.100 0.000 2.074 131 F HA 0.175 4.703 4.527 0.002 0.000 0.293 131 F C 2.403 178.247 175.800 0.074 0.000 1.116 131 F CA 1.679 59.722 58.000 0.071 0.000 1.212 131 F CB -0.573 38.460 39.000 0.056 0.000 0.998 131 F HN 0.660 nan 8.300 nan 0.000 0.471 132 E N 0.368 120.732 120.200 0.274 0.000 2.526 132 E HA -0.144 4.207 4.350 0.002 0.000 0.198 132 E C 0.360 176.998 176.600 0.064 0.000 1.091 132 E CA 0.392 56.904 56.400 0.185 0.000 0.880 132 E CB -0.178 29.739 29.700 0.361 0.000 0.873 132 E HN 0.303 nan 8.360 nan 0.000 0.527 133 K N -0.246 120.181 120.400 0.044 0.000 3.192 133 K HA -0.197 4.124 4.320 0.002 0.000 0.278 133 K C -1.045 175.479 176.600 -0.126 0.000 1.164 133 K CA 0.212 56.465 56.287 -0.057 0.000 0.816 133 K CB -1.390 31.024 32.500 -0.144 0.000 1.256 133 K HN 0.183 nan 8.250 nan 0.000 0.497 134 Y N 0.484 120.825 120.300 0.068 0.000 2.316 134 Y HA 0.359 4.910 4.550 0.002 0.000 0.324 134 Y C -1.809 174.116 175.900 0.042 0.000 1.267 134 Y CA -1.981 56.162 58.100 0.072 0.000 1.311 134 Y CB 0.656 39.244 38.460 0.213 0.000 1.267 134 Y HN 0.005 nan 8.280 nan 0.000 0.516 135 P HA 0.263 nan 4.420 nan 0.000 0.294 135 P C -1.308 175.886 177.300 -0.177 0.000 1.294 135 P CA -0.374 62.663 63.100 -0.105 0.000 0.827 135 P CB 1.115 32.560 31.700 -0.424 0.000 0.992 136 L N 4.529 125.677 121.223 -0.125 0.000 2.261 136 L HA 0.355 4.696 4.340 0.002 0.000 0.289 136 L C -0.103 176.681 176.870 -0.143 0.000 1.059 136 L CA -0.568 54.230 54.840 -0.070 0.000 0.816 136 L CB -0.213 41.843 42.059 -0.005 0.000 1.191 136 L HN 0.325 nan 8.230 nan 0.000 0.431 137 Y N 2.450 122.890 120.300 0.234 0.000 2.409 137 Y HA 0.631 5.182 4.550 0.002 0.000 0.339 137 Y C 0.139 176.093 175.900 0.090 0.000 1.033 137 Y CA -0.968 57.237 58.100 0.176 0.000 1.094 137 Y CB 2.036 40.631 38.460 0.225 0.000 1.210 137 Y HN 0.148 nan 8.280 nan 0.000 0.456 138 V N 4.142 124.189 119.914 0.222 0.000 2.769 138 V HA 0.473 4.594 4.120 0.002 0.000 0.312 138 V C -0.663 175.524 176.094 0.156 0.000 1.061 138 V CA -1.095 61.259 62.300 0.089 0.000 0.931 138 V CB 2.309 34.067 31.823 -0.107 0.000 1.010 138 V HN 0.534 nan 8.190 nan 0.000 0.433 139 L N 3.574 124.899 121.223 0.170 0.000 2.316 139 L HA 0.507 4.848 4.340 0.002 0.000 0.280 139 L C 0.103 177.134 176.870 0.269 0.000 1.006 139 L CA -0.473 54.474 54.840 0.178 0.000 0.836 139 L CB 1.442 43.571 42.059 0.117 0.000 1.221 139 L HN 0.611 nan 8.230 nan 0.000 0.418 140 K N 3.628 124.220 120.400 0.320 0.000 2.228 140 K HA 0.243 4.564 4.320 0.002 0.000 0.284 140 K C -0.684 175.987 176.600 0.118 0.000 1.088 140 K CA -0.410 56.034 56.287 0.262 0.000 0.941 140 K CB 0.504 33.222 32.500 0.364 0.000 1.158 140 K HN 0.364 nan 8.250 nan 0.000 0.438 141 V N 4.870 124.860 119.914 0.126 0.000 2.387 141 V HA 0.061 4.182 4.120 0.002 0.000 0.260 141 V C 0.243 176.389 176.094 0.087 0.000 1.054 141 V CA -0.376 61.989 62.300 0.109 0.000 0.967 141 V CB 0.274 32.216 31.823 0.198 0.000 1.036 141 V HN 0.827 nan 8.190 nan 0.000 0.481 142 S N 3.762 119.470 115.700 0.015 0.000 2.664 142 S HA 0.836 5.307 4.470 0.002 0.000 0.304 142 S C 0.456 175.029 174.600 -0.045 0.000 1.099 142 S CA -0.208 57.992 58.200 0.002 0.000 1.003 142 S CB 1.787 64.982 63.200 -0.008 0.000 1.092 142 S HN 0.845 nan 8.310 nan 0.000 0.525 143 G N 0.479 109.273 108.800 -0.009 0.000 2.590 143 G HA2 0.233 4.194 3.960 0.002 0.000 0.276 143 G HA3 0.233 4.194 3.960 0.002 0.000 0.276 143 G C 0.314 175.162 174.900 -0.086 0.000 1.337 143 G CA -0.501 44.577 45.100 -0.036 0.000 1.030 143 G HN 0.794 nan 8.290 nan 0.000 0.534 144 K N -0.694 119.692 120.400 -0.023 0.000 2.242 144 K HA 0.042 4.363 4.320 0.002 0.000 0.200 144 K C 0.651 177.282 176.600 0.052 0.000 1.050 144 K CA 0.419 56.711 56.287 0.007 0.000 0.981 144 K CB 0.273 32.809 32.500 0.061 0.000 0.795 144 K HN 0.413 nan 8.250 nan 0.000 0.477 145 E N 2.313 122.565 120.200 0.087 0.000 1.972 145 E HA 0.028 4.379 4.350 0.002 0.000 0.292 145 E C -1.054 175.575 176.600 0.048 0.000 1.193 145 E CA -0.029 56.411 56.400 0.067 0.000 1.228 145 E CB 0.241 29.988 29.700 0.077 0.000 1.167 145 E HN 0.093 nan 8.360 nan 0.000 0.479 146 Q N 1.448 121.269 119.800 0.035 0.000 2.244 146 Q HA 0.058 4.399 4.340 0.002 0.000 0.276 146 Q C -0.129 175.888 176.000 0.028 0.000 1.122 146 Q CA 0.531 56.350 55.803 0.028 0.000 0.920 146 Q CB 0.441 29.193 28.738 0.023 0.000 1.186 146 Q HN 0.361 nan 8.270 nan 0.000 0.393 147 T N -0.533 114.037 114.554 0.026 0.000 2.807 147 T HA 0.536 4.887 4.350 0.002 0.000 0.277 147 T C 0.279 174.991 174.700 0.020 0.000 1.006 147 T CA -0.707 61.407 62.100 0.023 0.000 1.006 147 T CB 1.120 70.002 68.868 0.023 0.000 1.274 147 T HN 0.475 nan 8.240 nan 0.000 0.569 148 A N 0.700 123.531 122.820 0.018 0.000 2.358 148 A HA 0.155 4.476 4.320 0.002 0.000 0.232 148 A C 0.715 178.307 177.584 0.012 0.000 1.498 148 A CA 0.106 52.153 52.037 0.017 0.000 1.400 148 A CB -1.160 17.849 19.000 0.015 0.000 0.852 148 A HN 0.563 nan 8.150 nan 0.000 0.605 149 K N -0.124 120.280 120.400 0.008 0.000 2.318 149 K HA 0.299 4.620 4.320 0.002 0.000 0.243 149 K C -0.301 176.293 176.600 -0.010 0.000 1.047 149 K CA -0.777 55.505 56.287 -0.009 0.000 0.937 149 K CB 0.235 32.723 32.500 -0.021 0.000 1.225 149 K HN 0.334 nan 8.250 nan 0.000 0.506 150 N N -0.749 117.929 118.700 -0.037 0.000 2.681 150 N HA 0.590 5.331 4.740 0.002 0.000 0.311 150 N C -1.141 174.328 175.510 -0.068 0.000 1.303 150 N CA -0.681 52.351 53.050 -0.031 0.000 0.926 150 N CB 0.895 39.358 38.487 -0.039 0.000 1.136 150 N HN 0.648 nan 8.380 nan 0.000 0.592 151 A N -0.393 122.402 122.820 -0.042 0.000 2.572 151 A HA 0.763 5.084 4.320 0.002 0.000 0.295 151 A C -1.365 176.196 177.584 -0.039 0.000 1.072 151 A CA -0.489 51.511 52.037 -0.061 0.000 0.691 151 A CB 0.929 20.019 19.000 0.150 0.000 1.291 151 A HN 0.499 nan 8.150 nan 0.000 0.404 152 I N 1.636 122.128 120.570 -0.130 0.000 2.498 152 I HA 0.347 4.518 4.170 0.002 0.000 0.290 152 I C -0.833 175.454 176.117 0.284 0.000 1.032 152 I CA -0.405 60.897 61.300 0.003 0.000 1.073 152 I CB 1.759 39.583 38.000 -0.293 0.000 1.251 152 I HN 0.813 nan 8.210 nan 0.000 0.426 153 W N 8.467 129.900 121.300 0.222 0.000 2.433 153 W HA 0.663 5.324 4.660 0.001 0.000 0.315 153 W C -1.884 174.702 176.519 0.112 0.000 1.087 153 W CA -0.700 56.813 57.345 0.279 0.000 1.205 153 W CB 1.215 30.904 29.460 0.380 0.000 1.288 153 W HN 0.318 nan 8.180 nan 0.000 0.504 154 I N 6.144 126.466 120.570 -0.413 0.000 2.447 154 I HA 0.113 4.284 4.170 0.002 0.000 0.287 154 I C -0.761 174.898 176.117 -0.763 0.000 1.023 154 I CA -0.670 60.351 61.300 -0.465 0.000 1.083 154 I CB 1.879 39.707 38.000 -0.286 0.000 1.245 154 I HN 0.329 nan 8.210 nan 0.000 0.434 155 D N 5.003 125.052 120.400 -0.585 0.000 2.198 155 D HA 0.592 5.233 4.640 0.002 0.000 0.247 155 D C -0.871 175.339 176.300 -0.150 0.000 1.010 155 D CA -0.367 53.428 54.000 -0.341 0.000 0.880 155 D CB 1.833 42.684 40.800 0.084 0.000 1.209 155 D HN 0.313 nan 8.370 nan 0.000 0.451 156 c N 0.665 119.200 118.600 -0.108 0.000 2.707 156 c HA 0.868 5.439 4.570 0.002 0.000 0.313 156 c C 0.908 174.926 174.090 -0.120 0.000 1.209 156 c CA 0.039 56.312 56.329 -0.092 0.000 1.635 156 c CB 0.812 43.303 42.510 -0.033 0.000 2.206 156 c HN 1.061 nan 8.230 nan 0.000 0.485 157 G N 2.388 111.085 108.800 -0.172 0.000 2.333 157 G HA2 -0.204 3.757 3.960 0.002 0.000 0.296 157 G HA3 -0.204 3.757 3.960 0.002 0.000 0.296 157 G C 0.392 175.218 174.900 -0.124 0.000 1.059 157 G CA 0.294 45.298 45.100 -0.160 0.000 1.050 157 G HN 0.810 nan 8.290 nan 0.000 0.508 158 I N -0.892 119.536 120.570 -0.237 0.000 2.493 158 I HA -0.030 4.141 4.170 0.002 0.000 0.254 158 I C 1.183 177.153 176.117 -0.246 0.000 1.160 158 I CA 1.060 62.228 61.300 -0.221 0.000 1.445 158 I CB -0.121 37.724 38.000 -0.259 0.000 1.086 158 I HN 0.423 nan 8.210 nan 0.000 0.433 159 H N -0.632 118.418 119.070 -0.033 0.000 2.539 159 H HA 0.412 4.969 4.556 0.002 0.000 0.332 159 H C 0.935 176.292 175.328 0.048 0.000 1.031 159 H CA -0.232 55.818 56.048 0.003 0.000 1.206 159 H CB 1.821 31.570 29.762 -0.020 0.000 1.446 159 H HN 0.012 nan 8.280 nan 0.000 0.496 160 A N 4.051 127.035 122.820 0.273 0.000 1.859 160 A HA -0.260 4.061 4.320 0.002 0.000 0.218 160 A C 2.271 180.112 177.584 0.427 0.000 1.209 160 A CA 1.995 54.279 52.037 0.412 0.000 0.639 160 A CB -0.499 18.802 19.000 0.501 0.000 0.835 160 A HN 0.903 nan 8.150 nan 0.000 0.450 161 R N 0.523 121.116 120.500 0.155 0.000 2.303 161 R HA -0.097 4.244 4.340 0.002 0.000 0.225 161 R C -0.281 175.872 176.300 -0.246 0.000 1.114 161 R CA 1.405 57.423 56.100 -0.135 0.000 1.007 161 R CB -0.551 29.451 30.300 -0.497 0.000 0.861 161 R HN 0.575 nan 8.270 nan 0.000 0.471 162 E N 0.942 121.091 120.200 -0.085 0.000 1.852 162 E HA -0.037 4.314 4.350 0.002 0.000 0.276 162 E C -0.372 176.362 176.600 0.222 0.000 1.163 162 E CA -0.442 55.953 56.400 -0.008 0.000 1.117 162 E CB 0.031 29.736 29.700 0.009 0.000 1.124 162 E HN 0.362 nan 8.360 nan 0.000 0.458 163 W N 1.038 122.286 121.300 -0.088 0.000 2.467 163 W HA -0.045 4.617 4.660 0.002 0.000 0.275 163 W C 1.818 178.345 176.519 0.014 0.000 1.239 163 W CA -0.097 57.211 57.345 -0.061 0.000 1.266 163 W CB -0.249 28.941 29.460 -0.449 0.000 1.112 163 W HN 0.482 nan 8.180 nan 0.000 0.576 164 I N -0.109 120.625 120.570 0.274 0.000 2.454 164 I HA -0.240 3.931 4.170 0.002 0.000 0.254 164 I C 2.558 178.845 176.117 0.284 0.000 1.156 164 I CA 2.015 63.537 61.300 0.371 0.000 1.433 164 I CB -0.762 37.414 38.000 0.294 0.000 1.082 164 I HN -0.116 nan 8.210 nan 0.000 0.432 165 S N 1.209 117.022 115.700 0.187 0.000 2.361 165 S HA -0.028 4.443 4.470 0.002 0.000 0.214 165 S C -0.060 174.622 174.600 0.137 0.000 1.034 165 S CA 1.759 60.032 58.200 0.123 0.000 1.025 165 S CB -1.513 61.694 63.200 0.011 0.000 0.996 165 S HN 0.300 nan 8.310 nan 0.000 0.422 166 P HA -0.073 nan 4.420 nan 0.000 0.217 166 P C 1.516 178.843 177.300 0.045 0.000 1.148 166 P CA 1.704 64.777 63.100 -0.045 0.000 0.834 166 P CB -0.397 31.119 31.700 -0.305 0.000 0.783 167 A N -1.014 121.885 122.820 0.131 0.000 1.903 167 A HA -0.259 4.062 4.320 0.002 0.000 0.219 167 A C 2.136 179.834 177.584 0.190 0.000 1.191 167 A CA 1.928 54.057 52.037 0.154 0.000 0.638 167 A CB -1.850 17.302 19.000 0.253 0.000 0.823 167 A HN 0.222 nan 8.150 nan 0.000 0.451 168 F N 0.124 120.137 119.950 0.105 0.000 2.084 168 F HA -0.204 4.324 4.527 0.002 0.000 0.296 168 F C 2.541 178.473 175.800 0.219 0.000 1.111 168 F CA 1.783 59.867 58.000 0.140 0.000 1.224 168 F CB -0.719 38.324 39.000 0.072 0.000 0.991 168 F HN 0.287 nan 8.300 nan 0.000 0.471 169 c N 0.910 119.689 118.600 0.299 0.000 2.403 169 c HA -0.197 4.374 4.570 0.002 0.000 0.277 169 c C 2.852 177.023 174.090 0.135 0.000 1.248 169 c CA 1.045 57.479 56.329 0.175 0.000 1.762 169 c CB -1.408 41.185 42.510 0.138 0.000 2.014 169 c HN 0.522 nan 8.230 nan 0.000 0.486 170 L N -1.424 119.825 121.223 0.043 0.000 1.973 170 L HA -0.167 4.174 4.340 0.002 0.000 0.208 170 L C 2.487 179.331 176.870 -0.044 0.000 1.073 170 L CA 2.073 56.832 54.840 -0.135 0.000 0.746 170 L CB -1.003 40.890 42.059 -0.275 0.000 0.891 170 L HN 0.504 nan 8.230 nan 0.000 0.433 171 W N 0.588 121.757 121.300 -0.218 0.000 2.275 171 W HA -0.380 4.281 4.660 0.002 0.000 0.321 171 W C 2.618 178.910 176.519 -0.378 0.000 1.269 171 W CA 2.399 59.521 57.345 -0.371 0.000 1.274 171 W CB -0.558 28.732 29.460 -0.282 0.000 1.141 171 W HN 0.119 nan 8.180 nan 0.000 0.493 172 F N 0.366 120.215 119.950 -0.168 0.000 2.046 172 F HA -0.242 4.286 4.527 0.001 0.000 0.297 172 F C 2.204 177.942 175.800 -0.104 0.000 1.123 172 F CA 2.657 60.582 58.000 -0.124 0.000 1.199 172 F CB -0.923 37.902 39.000 -0.292 0.000 0.972 172 F HN -0.176 nan 8.300 nan 0.000 0.474 173 I N 0.353 121.064 120.570 0.234 0.000 2.226 173 I HA -0.228 3.943 4.170 0.002 0.000 0.245 173 I C 2.748 178.822 176.117 -0.073 0.000 1.100 173 I CA 1.286 62.676 61.300 0.150 0.000 1.374 173 I CB -1.423 36.832 38.000 0.426 0.000 1.057 173 I HN 0.369 nan 8.210 nan 0.000 0.413 174 G N 0.042 108.751 108.800 -0.151 0.000 2.639 174 G HA2 -0.386 3.575 3.960 0.002 0.000 0.216 174 G HA3 -0.386 3.575 3.960 0.002 0.000 0.216 174 G C 1.458 176.019 174.900 -0.564 0.000 1.267 174 G CA 1.532 46.337 45.100 -0.491 0.000 0.801 174 G HN 0.384 nan 8.290 nan 0.000 0.592 175 H N 0.289 118.823 119.070 -0.895 0.000 2.289 175 H HA -0.092 4.465 4.556 0.002 0.000 0.294 175 H C 2.615 177.543 175.328 -0.666 0.000 1.095 175 H CA 1.946 57.457 56.048 -0.895 0.000 1.256 175 H CB -0.175 28.699 29.762 -1.479 0.000 1.359 175 H HN 0.207 nan 8.280 nan 0.000 0.487 176 I N 0.425 120.650 120.570 -0.574 0.000 2.151 176 I HA -0.322 3.849 4.170 0.002 0.000 0.243 176 I C 2.584 178.485 176.117 -0.360 0.000 1.080 176 I CA 2.215 63.241 61.300 -0.457 0.000 1.339 176 I CB -1.314 36.434 38.000 -0.420 0.000 1.039 176 I HN 0.600 nan 8.210 nan 0.000 0.409 177 T N -1.858 112.453 114.554 -0.405 0.000 2.821 177 T HA -0.212 4.139 4.350 0.002 0.000 0.267 177 T C 1.802 176.251 174.700 -0.418 0.000 1.046 177 T CA 1.082 62.902 62.100 -0.468 0.000 1.139 177 T CB -0.401 67.987 68.868 -0.801 0.000 0.871 177 T HN 0.328 nan 8.240 nan 0.000 0.454 178 Q N 0.217 119.729 119.800 -0.481 0.000 2.030 178 Q HA 0.002 4.343 4.340 0.002 0.000 0.204 178 Q C 1.358 176.919 176.000 -0.732 0.000 0.986 178 Q CA 1.853 57.283 55.803 -0.621 0.000 0.843 178 Q CB -0.268 27.980 28.738 -0.817 0.000 0.904 178 Q HN 0.657 nan 8.270 nan 0.000 0.420 179 F N -1.596 118.029 119.950 -0.541 0.000 2.664 179 F HA 0.147 4.675 4.527 0.002 0.000 0.303 179 F C -0.054 175.584 175.800 -0.271 0.000 1.092 179 F CA -0.699 57.002 58.000 -0.499 0.000 1.305 179 F CB 0.128 38.597 39.000 -0.886 0.000 1.054 179 F HN 0.024 nan 8.300 nan 0.000 0.565 180 Y N 1.123 121.315 120.300 -0.181 0.000 2.721 180 Y HA 0.328 4.879 4.550 0.002 0.000 0.329 180 Y C 1.323 177.211 175.900 -0.021 0.000 1.211 180 Y CA 0.868 58.938 58.100 -0.050 0.000 1.512 180 Y CB 0.352 38.770 38.460 -0.070 0.000 1.249 180 Y HN 0.355 nan 8.280 nan 0.000 0.549 181 G N 4.409 113.000 108.800 -0.348 0.000 2.336 181 G HA2 -0.328 3.633 3.960 0.002 0.000 0.233 181 G HA3 -0.328 3.633 3.960 0.002 0.000 0.233 181 G C 0.901 175.753 174.900 -0.079 0.000 1.053 181 G CA 0.499 45.465 45.100 -0.224 0.000 0.625 181 G HN 0.678 nan 8.290 nan 0.000 0.511 182 I N 0.938 121.500 120.570 -0.014 0.000 2.852 182 I HA 0.329 4.500 4.170 0.002 0.000 0.264 182 I C 0.806 176.985 176.117 0.105 0.000 1.179 182 I CA 0.789 62.118 61.300 0.048 0.000 1.480 182 I CB 0.062 38.110 38.000 0.080 0.000 1.111 182 I HN 0.122 nan 8.210 nan 0.000 0.441 183 I N 0.736 121.405 120.570 0.164 0.000 2.468 183 I HA 0.292 4.463 4.170 0.002 0.000 0.285 183 I C 1.266 177.482 176.117 0.165 0.000 1.039 183 I CA -0.472 60.944 61.300 0.194 0.000 1.074 183 I CB 1.747 39.953 38.000 0.343 0.000 1.228 183 I HN -0.051 nan 8.210 nan 0.000 0.436 184 G N 3.788 112.619 108.800 0.052 0.000 2.469 184 G HA2 -0.276 3.685 3.960 0.002 0.000 0.220 184 G HA3 -0.276 3.685 3.960 0.002 0.000 0.220 184 G C 1.229 176.148 174.900 0.032 0.000 1.136 184 G CA 0.826 45.937 45.100 0.019 0.000 0.759 184 G HN 0.779 nan 8.290 nan 0.000 0.562 185 Q N -0.557 119.215 119.800 -0.046 0.000 2.142 185 Q HA -0.272 4.069 4.340 0.002 0.000 0.213 185 Q C 2.246 178.213 176.000 -0.054 0.000 1.004 185 Q CA 2.182 57.897 55.803 -0.146 0.000 0.883 185 Q CB -0.283 28.262 28.738 -0.322 0.000 0.939 185 Q HN 0.701 nan 8.270 nan 0.000 0.413 186 Y N -0.603 119.802 120.300 0.174 0.000 2.231 186 Y HA -0.008 4.543 4.550 0.001 0.000 0.294 186 Y C 2.693 178.700 175.900 0.178 0.000 1.120 186 Y CA 1.183 59.417 58.100 0.222 0.000 1.141 186 Y CB -0.694 37.867 38.460 0.169 0.000 1.022 186 Y HN 0.038 nan 8.280 nan 0.000 0.523 187 T N 0.568 115.219 114.554 0.161 0.000 2.685 187 T HA -0.234 4.117 4.350 0.002 0.000 0.268 187 T C 1.445 176.207 174.700 0.102 0.000 1.034 187 T CA 2.091 64.119 62.100 -0.120 0.000 1.149 187 T CB -0.466 68.252 68.868 -0.250 0.000 0.860 187 T HN 0.359 nan 8.240 nan 0.000 0.449 188 N N 0.497 119.312 118.700 0.191 0.000 2.250 188 N HA 0.158 4.899 4.740 0.002 0.000 0.181 188 N C 1.725 177.456 175.510 0.368 0.000 1.017 188 N CA 0.237 53.456 53.050 0.282 0.000 0.866 188 N CB -0.373 38.307 38.487 0.322 0.000 0.985 188 N HN 0.213 nan 8.380 nan 0.000 0.429 189 L N 0.849 122.346 121.223 0.456 0.000 1.944 189 L HA -0.197 4.144 4.340 0.002 0.000 0.218 189 L C 1.697 178.643 176.870 0.126 0.000 1.075 189 L CA 1.666 56.645 54.840 0.233 0.000 0.767 189 L CB -0.528 41.764 42.059 0.388 0.000 0.890 189 L HN 0.214 nan 8.230 nan 0.000 0.434 190 L N -0.516 120.876 121.223 0.282 0.000 2.079 190 L HA -0.259 4.082 4.340 0.002 0.000 0.210 190 L C 2.794 179.768 176.870 0.173 0.000 1.081 190 L CA 1.233 56.226 54.840 0.255 0.000 0.752 190 L CB -0.689 41.557 42.059 0.312 0.000 0.896 190 L HN 0.387 nan 8.230 nan 0.000 0.433 191 R N 0.764 121.389 120.500 0.208 0.000 2.119 191 R HA -0.207 4.134 4.340 0.002 0.000 0.246 191 R C 1.988 178.328 176.300 0.067 0.000 1.146 191 R CA 1.690 57.879 56.100 0.149 0.000 0.962 191 R CB -0.175 30.214 30.300 0.149 0.000 0.863 191 R HN 0.373 nan 8.270 nan 0.000 0.442 192 L N -0.616 120.613 121.223 0.009 0.000 2.585 192 L HA 0.246 4.587 4.340 0.002 0.000 0.226 192 L C -0.056 176.739 176.870 -0.124 0.000 1.113 192 L CA -0.235 54.562 54.840 -0.071 0.000 0.876 192 L CB 1.203 43.170 42.059 -0.153 0.000 1.072 192 L HN -0.069 nan 8.230 nan 0.000 0.468 193 V N -0.485 119.361 119.914 -0.113 0.000 2.950 193 V HA 0.274 4.395 4.120 0.002 0.000 0.295 193 V C -1.610 174.401 176.094 -0.140 0.000 1.297 193 V CA -0.826 61.366 62.300 -0.181 0.000 0.962 193 V CB 2.796 34.417 31.823 -0.337 0.000 1.081 193 V HN -0.064 nan 8.190 nan 0.000 0.432 194 D N 4.005 124.302 120.400 -0.173 0.000 2.255 194 D HA 0.485 5.126 4.640 0.002 0.000 0.249 194 D C -0.633 175.503 176.300 -0.273 0.000 1.078 194 D CA 0.404 54.316 54.000 -0.147 0.000 0.896 194 D CB 1.184 41.850 40.800 -0.223 0.000 1.194 194 D HN 0.256 nan 8.370 nan 0.000 0.429 195 F N 0.906 120.804 119.950 -0.087 0.000 2.425 195 F HA 0.324 4.852 4.527 0.001 0.000 0.331 195 F C -0.089 175.618 175.800 -0.156 0.000 1.085 195 F CA -0.704 57.277 58.000 -0.032 0.000 1.028 195 F CB 0.950 40.045 39.000 0.159 0.000 1.177 195 F HN 0.155 nan 8.300 nan 0.000 0.487 196 Y N 1.768 122.281 120.300 0.355 0.000 2.345 196 Y HA 0.553 5.104 4.550 0.001 0.000 0.331 196 Y C -0.566 175.320 175.900 -0.022 0.000 0.959 196 Y CA -1.153 57.122 58.100 0.292 0.000 1.204 196 Y CB 1.472 40.299 38.460 0.611 0.000 1.135 196 Y HN 0.155 nan 8.280 nan 0.000 0.477 197 V N 5.812 125.781 119.914 0.091 0.000 2.378 197 V HA 0.357 4.478 4.120 0.002 0.000 0.288 197 V C -0.266 175.722 176.094 -0.176 0.000 1.016 197 V CA -0.880 61.337 62.300 -0.139 0.000 0.840 197 V CB 1.616 33.434 31.823 -0.007 0.000 0.994 197 V HN 0.770 nan 8.190 nan 0.000 0.431 198 M N 8.439 127.797 119.600 -0.403 0.000 2.055 198 M HA 0.411 4.892 4.480 0.002 0.000 0.347 198 M C -1.931 174.315 176.300 -0.091 0.000 1.123 198 M CA -1.745 53.426 55.300 -0.214 0.000 1.035 198 M CB 2.135 34.570 32.600 -0.275 0.000 1.484 198 M HN 0.319 nan 8.290 nan 0.000 0.428 199 P HA -0.009 nan 4.420 nan 0.000 0.220 199 P C -0.517 176.752 177.300 -0.052 0.000 1.152 199 P CA 0.699 63.825 63.100 0.043 0.000 0.812 199 P CB 0.215 32.020 31.700 0.176 0.000 0.792 200 V N -0.158 119.729 119.914 -0.044 0.000 2.524 200 V HA 0.104 4.225 4.120 0.002 0.000 0.297 200 V C 1.056 177.151 176.094 0.002 0.000 1.035 200 V CA -0.355 61.883 62.300 -0.104 0.000 0.867 200 V CB 2.166 33.862 31.823 -0.211 0.000 1.004 200 V HN -0.268 nan 8.190 nan 0.000 0.426 201 V N 2.757 122.688 119.914 0.027 0.000 2.374 201 V HA 0.031 4.152 4.120 0.002 0.000 0.241 201 V C 1.428 177.591 176.094 0.115 0.000 1.034 201 V CA 1.060 63.426 62.300 0.111 0.000 1.037 201 V CB -0.256 31.666 31.823 0.166 0.000 0.682 201 V HN 0.850 nan 8.190 nan 0.000 0.463 202 N N 0.964 119.723 118.700 0.097 0.000 3.259 202 N HA 0.079 4.820 4.740 0.002 0.000 0.308 202 N C 0.894 176.507 175.510 0.171 0.000 1.334 202 N CA 0.077 53.216 53.050 0.147 0.000 1.202 202 N CB 0.216 38.801 38.487 0.163 0.000 1.485 202 N HN 0.106 nan 8.380 nan 0.000 0.549 203 V N 0.518 120.519 119.914 0.146 0.000 2.282 203 V HA -0.289 3.832 4.120 0.002 0.000 0.249 203 V C 1.479 177.674 176.094 0.169 0.000 1.057 203 V CA 1.949 64.328 62.300 0.132 0.000 1.032 203 V CB -0.306 31.616 31.823 0.164 0.000 0.645 203 V HN 0.508 nan 8.190 nan 0.000 0.447 204 D N 0.260 120.788 120.400 0.213 0.000 2.117 204 D HA -0.115 4.526 4.640 0.002 0.000 0.197 204 D C 2.135 178.597 176.300 0.269 0.000 0.987 204 D CA 1.665 55.800 54.000 0.225 0.000 0.829 204 D CB -0.574 40.386 40.800 0.268 0.000 0.961 204 D HN 0.513 nan 8.370 nan 0.000 0.460 205 G N -0.787 108.221 108.800 0.346 0.000 2.430 205 G HA2 -0.251 3.710 3.960 0.002 0.000 0.216 205 G HA3 -0.251 3.710 3.960 0.002 0.000 0.216 205 G C 1.546 176.759 174.900 0.522 0.000 1.146 205 G CA 0.154 45.561 45.100 0.512 0.000 0.793 205 G HN 0.228 nan 8.290 nan 0.000 0.537 206 Y N 1.559 122.015 120.300 0.260 0.000 2.114 206 Y HA -0.104 4.447 4.550 0.002 0.000 0.284 206 Y C 2.340 178.389 175.900 0.250 0.000 1.143 206 Y CA 1.786 60.015 58.100 0.215 0.000 1.135 206 Y CB -0.270 38.219 38.460 0.049 0.000 0.980 206 Y HN 0.261 nan 8.280 nan 0.000 0.499 207 D N -1.472 119.027 120.400 0.165 0.000 2.265 207 D HA -0.236 4.405 4.640 0.002 0.000 0.208 207 D C 1.637 178.039 176.300 0.170 0.000 0.977 207 D CA 1.089 55.115 54.000 0.043 0.000 0.871 207 D CB -0.315 40.447 40.800 -0.064 0.000 0.925 207 D HN 0.494 nan 8.370 nan 0.000 0.485 208 Y N -0.178 120.177 120.300 0.093 0.000 2.476 208 Y HA 0.060 4.611 4.550 0.002 0.000 0.283 208 Y C 2.311 178.263 175.900 0.087 0.000 1.109 208 Y CA 1.126 59.252 58.100 0.043 0.000 1.246 208 Y CB -0.045 38.372 38.460 -0.071 0.000 1.068 208 Y HN -0.001 nan 8.280 nan 0.000 0.552 209 S N -1.657 114.176 115.700 0.222 0.000 2.406 209 S HA -0.179 4.292 4.470 0.002 0.000 0.228 209 S C 1.730 176.436 174.600 0.177 0.000 1.020 209 S CA 0.779 59.099 58.200 0.199 0.000 0.965 209 S CB -1.014 62.448 63.200 0.437 0.000 0.798 209 S HN 0.556 nan 8.310 nan 0.000 0.488 210 W N 2.363 123.717 121.300 0.089 0.000 2.355 210 W HA 0.109 4.770 4.660 0.002 0.000 0.309 210 W C 2.638 179.147 176.519 -0.018 0.000 1.206 210 W CA 1.147 58.532 57.345 0.067 0.000 1.284 210 W CB -0.016 29.306 29.460 -0.229 0.000 1.145 210 W HN 0.249 nan 8.180 nan 0.000 0.502 211 K N -1.105 119.379 120.400 0.140 0.000 2.242 211 K HA 0.044 4.365 4.320 0.002 0.000 0.200 211 K C 1.685 178.207 176.600 -0.130 0.000 1.050 211 K CA 0.817 57.127 56.287 0.038 0.000 0.981 211 K CB 0.225 32.761 32.500 0.061 0.000 0.795 211 K HN 0.003 nan 8.250 nan 0.000 0.477 212 K N -0.727 119.439 120.400 -0.390 0.000 2.642 212 K HA 0.085 4.406 4.320 0.002 0.000 0.214 212 K C 0.042 176.349 176.600 -0.487 0.000 1.451 212 K CA -0.118 55.862 56.287 -0.511 0.000 0.917 212 K CB 0.174 32.209 32.500 -0.775 0.000 1.779 212 K HN -0.107 nan 8.250 nan 0.000 0.447 213 N N 1.799 120.060 118.700 -0.732 0.000 2.511 213 N HA 0.103 4.844 4.740 0.002 0.000 0.249 213 N C 0.362 175.813 175.510 -0.098 0.000 0.971 213 N CA 0.071 52.949 53.050 -0.286 0.000 0.938 213 N CB 1.677 40.087 38.487 -0.129 0.000 1.131 213 N HN -0.017 nan 8.380 nan 0.000 0.505 214 R N 3.499 123.931 120.500 -0.113 0.000 2.115 214 R HA 0.164 4.505 4.340 0.002 0.000 0.226 214 R C 1.028 177.294 176.300 -0.057 0.000 1.100 214 R CA 1.509 57.514 56.100 -0.160 0.000 0.980 214 R CB -0.024 30.074 30.300 -0.338 0.000 0.875 214 R HN 0.549 nan 8.270 nan 0.000 0.445 215 M N -0.153 119.476 119.600 0.048 0.000 2.654 215 M HA 0.053 4.534 4.480 0.002 0.000 0.217 215 M C -0.223 176.239 176.300 0.270 0.000 1.183 215 M CA -0.428 54.966 55.300 0.157 0.000 0.991 215 M CB -1.209 31.549 32.600 0.263 0.000 1.749 215 M HN 0.176 nan 8.290 nan 0.000 0.475 216 W N 1.341 122.684 121.300 0.071 0.000 2.170 216 W HA 0.062 4.723 4.660 0.001 0.000 0.336 216 W C 1.138 177.716 176.519 0.099 0.000 1.283 216 W CA 0.077 57.509 57.345 0.145 0.000 1.224 216 W CB 0.965 30.583 29.460 0.263 0.000 1.132 216 W HN 0.300 nan 8.180 nan 0.000 0.571 217 R N 2.013 122.197 120.500 -0.527 0.000 2.470 217 R HA 0.114 4.455 4.340 0.002 0.000 0.210 217 R C 0.230 176.353 176.300 -0.296 0.000 0.873 217 R CA 0.091 55.986 56.100 -0.341 0.000 1.015 217 R CB 0.375 30.459 30.300 -0.360 0.000 1.348 217 R HN 0.303 nan 8.270 nan 0.000 0.650 218 K N 0.736 120.695 120.400 -0.734 0.000 2.399 218 K HA 0.178 4.499 4.320 0.002 0.000 0.247 218 K C 0.077 176.736 176.600 0.098 0.000 1.036 218 K CA -0.850 55.278 56.287 -0.265 0.000 0.977 218 K CB 0.242 32.548 32.500 -0.323 0.000 1.272 218 K HN -0.084 nan 8.250 nan 0.000 0.501 219 N N 1.014 119.820 118.700 0.176 0.000 2.256 219 N HA -0.041 4.700 4.740 0.002 0.000 0.252 219 N C -0.092 175.624 175.510 0.344 0.000 1.274 219 N CA 0.663 53.850 53.050 0.229 0.000 0.872 219 N CB 0.362 38.925 38.487 0.127 0.000 0.982 219 N HN 0.309 nan 8.380 nan 0.000 0.445 220 R N -0.367 120.239 120.500 0.178 0.000 2.688 220 R HA 0.182 4.523 4.340 0.002 0.000 0.396 220 R C -0.824 175.368 176.300 -0.180 0.000 1.081 220 R CA -0.291 55.860 56.100 0.085 0.000 1.093 220 R CB -0.365 29.970 30.300 0.058 0.000 1.338 220 R HN 0.456 nan 8.270 nan 0.000 0.613 221 S N 0.175 115.622 115.700 -0.421 0.000 2.438 221 S HA 0.474 4.945 4.470 0.002 0.000 0.293 221 S C -0.314 173.862 174.600 -0.706 0.000 1.141 221 S CA -0.646 56.819 58.200 -1.225 0.000 1.080 221 S CB 1.249 63.781 63.200 -1.113 0.000 0.978 221 S HN 0.290 nan 8.310 nan 0.000 0.479 222 F N 3.695 123.162 119.950 -0.806 0.000 2.415 222 F HA 0.630 5.158 4.527 0.002 0.000 0.348 222 F C -1.057 174.488 175.800 -0.424 0.000 1.119 222 F CA -0.718 57.066 58.000 -0.359 0.000 1.069 222 F CB 0.640 39.565 39.000 -0.126 0.000 1.124 222 F HN 0.604 nan 8.300 nan 0.000 0.472 223 Y N 3.472 123.626 120.300 -0.244 0.000 2.675 223 Y HA 0.637 5.188 4.550 0.001 0.000 0.328 223 Y C 1.059 176.876 175.900 -0.138 0.000 1.092 223 Y CA -0.437 57.623 58.100 -0.068 0.000 1.190 223 Y CB 0.656 39.097 38.460 -0.031 0.000 1.350 223 Y HN 0.687 nan 8.280 nan 0.000 0.525 224 A N 0.948 123.897 122.820 0.214 0.000 2.240 224 A HA -0.277 4.044 4.320 0.002 0.000 0.199 224 A C 1.079 178.685 177.584 0.037 0.000 1.172 224 A CA 2.331 54.452 52.037 0.140 0.000 0.807 224 A CB -1.091 17.990 19.000 0.135 0.000 0.830 224 A HN 0.867 nan 8.150 nan 0.000 0.527 225 N N 0.673 119.390 118.700 0.028 0.000 2.322 225 N HA 0.139 4.880 4.740 0.002 0.000 0.216 225 N C -0.663 174.850 175.510 0.004 0.000 1.144 225 N CA -0.026 53.023 53.050 -0.001 0.000 0.830 225 N CB -0.257 38.249 38.487 0.032 0.000 1.034 225 N HN 0.527 nan 8.380 nan 0.000 0.484 226 N N -0.086 118.583 118.700 -0.051 0.000 2.514 226 N HA 0.059 4.800 4.740 0.002 0.000 0.277 226 N C 0.008 175.467 175.510 -0.085 0.000 1.126 226 N CA -0.347 52.673 53.050 -0.049 0.000 0.978 226 N CB 0.579 38.964 38.487 -0.170 0.000 1.106 226 N HN 0.222 nan 8.380 nan 0.000 0.461 227 H N 0.147 119.112 119.070 -0.175 0.000 2.553 227 H HA 0.217 4.774 4.556 0.002 0.000 0.269 227 H C -0.286 174.969 175.328 -0.122 0.000 1.011 227 H CA -0.095 55.885 56.048 -0.114 0.000 1.150 227 H CB 0.031 29.759 29.762 -0.056 0.000 1.339 227 H HN 0.338 nan 8.280 nan 0.000 0.604 228 c N -0.161 118.365 118.600 -0.122 0.000 3.080 228 c HA 0.545 5.116 4.570 0.002 0.000 0.307 228 c C 0.088 174.092 174.090 -0.143 0.000 1.311 228 c CA -1.105 55.178 56.329 -0.078 0.000 1.533 228 c CB 1.519 43.986 42.510 -0.072 0.000 1.970 228 c HN 0.220 nan 8.230 nan 0.000 0.467 229 I N 1.643 122.253 120.570 0.066 0.000 2.676 229 I HA 0.724 4.895 4.170 0.002 0.000 0.309 229 I C 0.545 176.797 176.117 0.225 0.000 0.990 229 I CA 0.181 61.560 61.300 0.132 0.000 1.168 229 I CB 1.058 39.183 38.000 0.208 0.000 1.343 229 I HN 0.992 nan 8.210 nan 0.000 0.482 230 G N 2.394 111.316 108.800 0.202 0.000 3.190 230 G HA2 -0.060 3.901 3.960 0.002 0.000 0.686 230 G HA3 -0.060 3.901 3.960 0.002 0.000 0.686 230 G C -0.706 174.337 174.900 0.237 0.000 1.033 230 G CA -0.934 44.310 45.100 0.241 0.000 0.797 230 G HN 0.664 nan 8.290 nan 0.000 0.567 231 T N 2.095 116.785 114.554 0.227 0.000 2.863 231 T HA 0.508 4.859 4.350 0.002 0.000 0.285 231 T C -0.380 174.393 174.700 0.123 0.000 1.009 231 T CA -0.468 61.776 62.100 0.239 0.000 0.989 231 T CB 1.872 70.832 68.868 0.152 0.000 1.004 231 T HN 0.686 nan 8.240 nan 0.000 0.455 232 D N 3.135 123.596 120.400 0.102 0.000 2.402 232 D HA 0.102 4.743 4.640 0.002 0.000 0.235 232 D C 1.388 177.804 176.300 0.193 0.000 1.226 232 D CA -0.262 53.821 54.000 0.139 0.000 0.918 232 D CB 0.371 41.235 40.800 0.107 0.000 1.043 232 D HN 0.432 nan 8.370 nan 0.000 0.506 233 L N 3.244 124.593 121.223 0.210 0.000 2.270 233 L HA -0.220 4.121 4.340 0.002 0.000 0.217 233 L C 1.454 178.521 176.870 0.330 0.000 1.107 233 L CA 0.958 55.918 54.840 0.201 0.000 0.772 233 L CB -0.341 41.826 42.059 0.180 0.000 0.902 233 L HN 0.342 nan 8.230 nan 0.000 0.439 234 N N -0.366 118.553 118.700 0.365 0.000 2.314 234 N HA -0.020 4.721 4.740 0.002 0.000 0.200 234 N C 1.083 176.790 175.510 0.328 0.000 1.135 234 N CA 0.153 53.440 53.050 0.394 0.000 0.835 234 N CB 0.270 38.982 38.487 0.376 0.000 0.989 234 N HN 0.034 nan 8.380 nan 0.000 0.478 235 R N -0.839 119.821 120.500 0.266 0.000 2.508 235 R HA 0.237 4.578 4.340 0.002 0.000 0.300 235 R C 0.428 176.880 176.300 0.254 0.000 0.970 235 R CA -0.021 56.182 56.100 0.171 0.000 1.102 235 R CB -0.292 30.023 30.300 0.025 0.000 1.246 235 R HN 0.313 nan 8.270 nan 0.000 0.539 236 N N -0.182 118.703 118.700 0.308 0.000 2.220 236 N HA 0.095 4.836 4.740 0.002 0.000 0.195 236 N C -0.401 175.167 175.510 0.095 0.000 1.123 236 N CA -0.089 53.103 53.050 0.237 0.000 0.874 236 N CB 0.463 38.958 38.487 0.014 0.000 0.995 236 N HN -0.107 nan 8.380 nan 0.000 0.498 237 F N 1.433 121.408 119.950 0.041 0.000 2.450 237 F HA 0.211 4.739 4.527 0.001 0.000 0.339 237 F C 1.144 176.855 175.800 -0.149 0.000 1.146 237 F CA -0.519 57.372 58.000 -0.182 0.000 1.267 237 F CB 0.673 39.592 39.000 -0.135 0.000 1.178 237 F HN -0.076 nan 8.300 nan 0.000 0.585 238 A N 2.480 125.148 122.820 -0.253 0.000 3.056 238 A HA 0.392 4.713 4.320 0.002 0.000 0.274 238 A C 0.333 177.998 177.584 0.135 0.000 1.661 238 A CA -0.115 51.828 52.037 -0.157 0.000 1.363 238 A CB -1.128 17.731 19.000 -0.236 0.000 1.139 238 A HN 0.645 nan 8.150 nan 0.000 0.598 239 S N 1.441 117.270 115.700 0.215 0.000 2.672 239 S HA 0.455 4.926 4.470 0.002 0.000 0.276 239 S C 0.256 174.841 174.600 -0.026 0.000 1.207 239 S CA -0.668 57.630 58.200 0.164 0.000 1.002 239 S CB 0.754 64.068 63.200 0.191 0.000 0.998 239 S HN 0.549 nan 8.310 nan 0.000 0.542 240 K N 0.647 120.839 120.400 -0.346 0.000 2.234 240 K HA 0.026 4.347 4.320 0.002 0.000 0.251 240 K C 0.112 176.580 176.600 -0.221 0.000 1.011 240 K CA -0.007 56.048 56.287 -0.387 0.000 0.889 240 K CB -0.226 31.923 32.500 -0.584 0.000 1.011 240 K HN 0.821 nan 8.250 nan 0.000 0.505 241 H N -1.003 117.974 119.070 -0.155 0.000 2.484 241 H HA -0.221 4.336 4.556 0.002 0.000 0.321 241 H C -0.191 175.180 175.328 0.072 0.000 1.065 241 H CA 0.472 56.523 56.048 0.004 0.000 1.118 241 H CB -1.254 28.553 29.762 0.075 0.000 1.511 241 H HN 0.513 nan 8.280 nan 0.000 0.403 242 W N 0.521 121.814 121.300 -0.011 0.000 2.223 242 W HA 0.148 4.810 4.660 0.002 0.000 0.334 242 W C 1.125 177.649 176.519 0.008 0.000 1.334 242 W CA 0.944 58.289 57.345 0.000 0.000 1.246 242 W CB 0.292 29.735 29.460 -0.028 0.000 1.184 242 W HN 0.559 nan 8.180 nan 0.000 0.563 243 c N 4.236 122.368 118.600 -0.779 0.000 4.259 243 c HA -0.247 4.324 4.570 0.002 0.000 0.294 243 c C 0.880 174.775 174.090 -0.324 0.000 1.459 243 c CA 1.001 56.826 56.329 -0.840 0.000 2.016 243 c CB -2.572 39.017 42.510 -1.536 0.000 1.274 243 c HN 0.786 nan 8.230 nan 0.000 0.792 244 E N -0.341 119.772 120.200 -0.146 0.000 2.961 244 E HA 0.237 4.588 4.350 0.002 0.000 0.254 244 E C 0.289 176.862 176.600 -0.044 0.000 1.192 244 E CA -0.781 55.595 56.400 -0.040 0.000 1.069 244 E CB 0.101 29.848 29.700 0.078 0.000 1.338 244 E HN 0.521 nan 8.360 nan 0.000 0.596 245 E N 0.003 120.200 120.200 -0.006 0.000 3.212 245 E HA -0.254 4.097 4.350 0.002 0.000 0.266 245 E C 0.186 176.779 176.600 -0.013 0.000 0.836 245 E CA 0.859 57.255 56.400 -0.006 0.000 1.012 245 E CB -1.065 28.646 29.700 0.019 0.000 0.777 245 E HN 0.752 nan 8.360 nan 0.000 0.505 246 G N 1.748 110.521 108.800 -0.045 0.000 2.318 246 G HA2 -0.038 3.923 3.960 0.002 0.000 0.172 246 G HA3 -0.038 3.923 3.960 0.002 0.000 0.172 246 G C -0.139 174.710 174.900 -0.084 0.000 1.002 246 G CA -0.215 44.853 45.100 -0.053 0.000 0.697 246 G HN 0.902 nan 8.290 nan 0.000 0.483 247 A N -0.259 122.492 122.820 -0.116 0.000 2.449 247 A HA 0.882 5.203 4.320 0.002 0.000 0.302 247 A C -0.164 177.331 177.584 -0.150 0.000 1.048 247 A CA 0.482 52.427 52.037 -0.154 0.000 0.708 247 A CB 1.716 20.562 19.000 -0.256 0.000 1.274 247 A HN 1.299 nan 8.150 nan 0.000 0.410 248 S N 0.072 115.711 115.700 -0.101 0.000 2.585 248 S HA 0.410 4.881 4.470 0.002 0.000 0.277 248 S C 1.430 176.017 174.600 -0.022 0.000 1.241 248 S CA 0.174 58.341 58.200 -0.055 0.000 1.041 248 S CB 0.847 64.036 63.200 -0.019 0.000 0.987 248 S HN 1.540 nan 8.310 nan 0.000 0.512 249 S N 2.635 118.326 115.700 -0.015 0.000 2.527 249 S HA 0.051 4.522 4.470 0.002 0.000 0.222 249 S C 0.868 175.572 174.600 0.172 0.000 0.985 249 S CA 0.235 58.467 58.200 0.054 0.000 0.921 249 S CB -0.200 62.999 63.200 -0.002 0.000 0.772 249 S HN 0.616 nan 8.310 nan 0.000 0.529 250 S N 2.173 117.911 115.700 0.064 0.000 2.505 250 S HA 0.278 4.749 4.470 0.002 0.000 0.276 250 S C 1.083 175.540 174.600 -0.238 0.000 1.274 250 S CA -0.101 58.059 58.200 -0.067 0.000 1.053 250 S CB 0.783 63.933 63.200 -0.083 0.000 0.919 250 S HN 0.529 nan 8.310 nan 0.000 0.490 251 S N 3.123 118.443 115.700 -0.633 0.000 2.660 251 S HA -0.002 4.469 4.470 0.002 0.000 0.228 251 S C 1.042 175.350 174.600 -0.487 0.000 0.966 251 S CA 0.154 57.625 58.200 -1.215 0.000 0.940 251 S CB -0.871 61.683 63.200 -1.077 0.000 0.773 251 S HN 0.742 nan 8.310 nan 0.000 0.535 252 c N 0.469 118.920 118.600 -0.247 0.000 3.364 252 c HA 0.424 4.995 4.570 0.002 0.000 0.340 252 c C 1.409 175.466 174.090 -0.055 0.000 1.336 252 c CA -0.588 55.680 56.329 -0.101 0.000 1.778 252 c CB -0.867 41.601 42.510 -0.070 0.000 2.398 252 c HN 0.636 nan 8.230 nan 0.000 0.667 253 S N 1.692 117.357 115.700 -0.059 0.000 2.558 253 S HA -0.032 4.439 4.470 0.002 0.000 0.291 253 S C 1.153 175.735 174.600 -0.031 0.000 1.306 253 S CA 0.380 58.561 58.200 -0.032 0.000 1.056 253 S CB 0.421 63.611 63.200 -0.017 0.000 0.836 253 S HN 0.482 nan 8.310 nan 0.000 0.504 254 E N 2.204 122.371 120.200 -0.054 0.000 2.478 254 E HA -0.058 4.293 4.350 0.002 0.000 0.198 254 E C 1.121 177.672 176.600 -0.081 0.000 1.046 254 E CA 0.939 57.276 56.400 -0.105 0.000 0.870 254 E CB -0.263 29.372 29.700 -0.109 0.000 0.818 254 E HN 0.826 nan 8.360 nan 0.000 0.527 255 T N -1.595 112.934 114.554 -0.041 0.000 3.242 255 T HA 0.073 4.424 4.350 0.002 0.000 0.253 255 T C -0.032 174.684 174.700 0.027 0.000 0.946 255 T CA -0.686 61.397 62.100 -0.028 0.000 0.944 255 T CB -0.766 68.057 68.868 -0.074 0.000 1.122 255 T HN -0.065 nan 8.240 nan 0.000 0.546 256 Y N 2.374 122.627 120.300 -0.079 0.000 2.537 256 Y HA 0.285 4.836 4.550 0.002 0.000 0.339 256 Y C 1.581 177.447 175.900 -0.057 0.000 1.066 256 Y CA -2.040 56.017 58.100 -0.073 0.000 1.357 256 Y CB 0.068 38.500 38.460 -0.045 0.000 1.175 256 Y HN 0.601 nan 8.280 nan 0.000 0.525 257 c N 3.609 121.923 118.600 -0.476 0.000 2.472 257 c HA 0.574 5.145 4.570 0.002 0.000 0.278 257 c C 1.224 175.084 174.090 -0.382 0.000 1.447 257 c CA 0.144 56.195 56.329 -0.465 0.000 1.773 257 c CB -1.619 40.394 42.510 -0.829 0.000 1.793 257 c HN 1.316 nan 8.230 nan 0.000 0.544 258 G N 0.423 108.602 108.800 -1.036 0.000 2.409 258 G HA2 -0.094 3.867 3.960 0.002 0.000 0.421 258 G HA3 -0.094 3.867 3.960 0.002 0.000 0.421 258 G C -0.052 174.528 174.900 -0.532 0.000 1.259 258 G CA -0.139 44.540 45.100 -0.701 0.000 1.011 258 G HN 0.344 nan 8.290 nan 0.000 0.497 259 L N -0.097 120.861 121.223 -0.441 0.000 2.209 259 L HA 0.334 4.675 4.340 0.002 0.000 0.207 259 L C 1.130 177.927 176.870 -0.121 0.000 1.094 259 L CA 1.594 56.218 54.840 -0.360 0.000 0.790 259 L CB -0.377 41.268 42.059 -0.691 0.000 0.932 259 L HN 0.806 nan 8.230 nan 0.000 0.447 260 Y N -5.421 114.790 120.300 -0.148 0.000 2.732 260 Y HA 0.424 4.975 4.550 0.001 0.000 0.342 260 Y C -2.997 172.534 175.900 -0.615 0.000 1.203 260 Y CA -2.716 55.093 58.100 -0.485 0.000 1.092 260 Y CB -0.109 38.123 38.460 -0.380 0.000 1.345 260 Y HN -0.299 nan 8.280 nan 0.000 0.458 261 P HA -0.021 nan 4.420 nan 0.000 0.257 261 P C -0.649 176.511 177.300 -0.233 0.000 1.162 261 P CA 1.528 64.267 63.100 -0.601 0.000 0.762 261 P CB 0.124 31.406 31.700 -0.698 0.000 0.753 262 E N 0.388 120.413 120.200 -0.292 0.000 2.553 262 E HA -0.214 4.137 4.350 0.002 0.000 0.264 262 E C 0.771 177.276 176.600 -0.158 0.000 1.068 262 E CA 0.687 56.917 56.400 -0.282 0.000 0.774 262 E CB -1.983 27.534 29.700 -0.305 0.000 1.349 262 E HN 0.635 nan 8.360 nan 0.000 0.404 263 S N -0.759 114.760 115.700 -0.302 0.000 2.377 263 S HA -0.060 4.411 4.470 0.002 0.000 0.223 263 S C 0.851 175.351 174.600 -0.167 0.000 1.030 263 S CA 0.272 58.171 58.200 -0.502 0.000 0.970 263 S CB 0.220 62.764 63.200 -1.094 0.000 0.830 263 S HN 0.174 nan 8.310 nan 0.000 0.473 264 E N 3.147 123.276 120.200 -0.118 0.000 2.344 264 E HA 0.210 4.561 4.350 0.002 0.000 0.270 264 E C -1.606 174.999 176.600 0.009 0.000 1.021 264 E CA -2.561 53.846 56.400 0.012 0.000 0.887 264 E CB 0.486 30.192 29.700 0.009 0.000 0.997 264 E HN 0.253 nan 8.360 nan 0.000 0.429 265 P HA -0.161 nan 4.420 nan 0.000 0.216 265 P C 0.625 177.945 177.300 0.033 0.000 1.153 265 P CA 1.192 64.338 63.100 0.077 0.000 0.848 265 P CB 0.502 32.289 31.700 0.145 0.000 0.787 266 E N 0.234 120.471 120.200 0.061 0.000 2.048 266 E HA -0.159 4.192 4.350 0.002 0.000 0.202 266 E C 2.172 178.764 176.600 -0.012 0.000 1.021 266 E CA 1.425 57.859 56.400 0.057 0.000 0.825 266 E CB -1.631 28.128 29.700 0.099 0.000 0.756 266 E HN 0.038 nan 8.360 nan 0.000 0.454 267 V N 0.812 120.659 119.914 -0.112 0.000 2.392 267 V HA -0.261 3.860 4.120 0.002 0.000 0.249 267 V C 2.182 178.066 176.094 -0.351 0.000 1.059 267 V CA 1.857 63.938 62.300 -0.363 0.000 1.051 267 V CB -0.463 31.001 31.823 -0.599 0.000 0.658 267 V HN 0.138 nan 8.190 nan 0.000 0.455 268 K N 0.907 121.184 120.400 -0.206 0.000 2.097 268 K HA -0.007 4.314 4.320 0.002 0.000 0.205 268 K C 2.097 178.647 176.600 -0.084 0.000 1.050 268 K CA 1.448 57.641 56.287 -0.157 0.000 0.938 268 K CB -0.678 31.776 32.500 -0.078 0.000 0.718 268 K HN 0.389 nan 8.250 nan 0.000 0.442 269 A N -0.011 122.786 122.820 -0.039 0.000 1.865 269 A HA -0.140 4.181 4.320 0.002 0.000 0.217 269 A C 2.321 179.940 177.584 0.058 0.000 1.191 269 A CA 2.040 54.082 52.037 0.008 0.000 0.623 269 A CB -0.880 18.122 19.000 0.004 0.000 0.826 269 A HN 0.109 nan 8.150 nan 0.000 0.444 270 V N -0.400 119.544 119.914 0.051 0.000 2.255 270 V HA -0.170 3.951 4.120 0.002 0.000 0.243 270 V C 3.086 179.217 176.094 0.061 0.000 1.038 270 V CA 1.898 64.259 62.300 0.102 0.000 1.008 270 V CB -1.210 30.756 31.823 0.238 0.000 0.645 270 V HN 0.618 nan 8.190 nan 0.000 0.449 271 A N -0.450 122.327 122.820 -0.072 0.000 1.940 271 A HA -0.221 4.100 4.320 0.002 0.000 0.219 271 A C 2.453 180.107 177.584 0.116 0.000 1.176 271 A CA 2.423 54.382 52.037 -0.130 0.000 0.631 271 A CB -0.626 17.957 19.000 -0.694 0.000 0.814 271 A HN 0.530 nan 8.150 nan 0.000 0.446 272 S N -1.285 114.439 115.700 0.041 0.000 2.357 272 S HA -0.060 4.411 4.470 0.002 0.000 0.221 272 S C 1.631 176.276 174.600 0.075 0.000 1.031 272 S CA 1.101 59.338 58.200 0.062 0.000 0.982 272 S CB -0.560 62.660 63.200 0.033 0.000 0.853 272 S HN 0.600 nan 8.310 nan 0.000 0.458 273 F N 2.807 122.730 119.950 -0.045 0.000 2.063 273 F HA -0.222 4.306 4.527 0.001 0.000 0.298 273 F C 1.874 177.608 175.800 -0.109 0.000 1.109 273 F CA 1.510 59.460 58.000 -0.083 0.000 1.212 273 F CB -0.567 38.370 39.000 -0.105 0.000 0.973 273 F HN 0.098 nan 8.300 nan 0.000 0.480 274 L N -0.237 120.955 121.223 -0.053 0.000 2.042 274 L HA -0.257 4.084 4.340 0.002 0.000 0.210 274 L C 2.662 179.467 176.870 -0.108 0.000 1.076 274 L CA 1.655 56.420 54.840 -0.124 0.000 0.749 274 L CB -0.774 41.275 42.059 -0.017 0.000 0.893 274 L HN 0.093 nan 8.230 nan 0.000 0.432 275 R N -0.362 120.143 120.500 0.007 0.000 2.152 275 R HA -0.176 4.165 4.340 0.002 0.000 0.232 275 R C 2.411 178.661 176.300 -0.083 0.000 1.117 275 R CA 1.207 57.301 56.100 -0.010 0.000 0.981 275 R CB -0.243 30.103 30.300 0.077 0.000 0.870 275 R HN 0.318 nan 8.270 nan 0.000 0.451 276 R N 0.398 120.809 120.500 -0.147 0.000 2.119 276 R HA 0.026 4.367 4.340 0.002 0.000 0.222 276 R C 0.639 176.811 176.300 -0.213 0.000 1.088 276 R CA 0.965 56.964 56.100 -0.168 0.000 0.984 276 R CB 0.282 30.465 30.300 -0.195 0.000 0.884 276 R HN 0.205 nan 8.270 nan 0.000 0.447 277 N N 0.625 119.133 118.700 -0.320 0.000 2.328 277 N HA 0.005 4.746 4.740 0.002 0.000 0.247 277 N C 0.569 175.999 175.510 -0.134 0.000 1.165 277 N CA -0.028 52.871 53.050 -0.252 0.000 0.873 277 N CB 0.850 39.086 38.487 -0.418 0.000 1.125 277 N HN 0.132 nan 8.380 nan 0.000 0.513 278 I N 1.720 122.221 120.570 -0.116 0.000 2.361 278 I HA -0.209 3.962 4.170 0.002 0.000 0.251 278 I C 1.500 177.589 176.117 -0.048 0.000 1.133 278 I CA 1.470 62.719 61.300 -0.085 0.000 1.413 278 I CB -0.005 37.938 38.000 -0.096 0.000 1.073 278 I HN 0.082 nan 8.210 nan 0.000 0.424 279 N N 0.075 118.753 118.700 -0.037 0.000 2.331 279 N HA -0.142 4.599 4.740 0.002 0.000 0.180 279 N C 1.716 177.231 175.510 0.008 0.000 1.019 279 N CA 0.902 53.941 53.050 -0.017 0.000 0.881 279 N CB -0.231 38.247 38.487 -0.016 0.000 0.972 279 N HN 0.421 nan 8.380 nan 0.000 0.435 280 Q N 0.596 120.411 119.800 0.026 0.000 2.123 280 Q HA 0.189 4.530 4.340 0.002 0.000 0.196 280 Q C 0.298 176.352 176.000 0.089 0.000 0.958 280 Q CA 0.096 55.935 55.803 0.061 0.000 0.841 280 Q CB -0.178 28.619 28.738 0.099 0.000 0.915 280 Q HN 0.235 nan 8.270 nan 0.000 0.455 281 I N 1.728 122.365 120.570 0.111 0.000 2.741 281 I HA -0.126 4.045 4.170 0.002 0.000 0.288 281 I C 1.058 177.241 176.117 0.111 0.000 1.192 281 I CA 0.730 62.124 61.300 0.157 0.000 1.426 281 I CB 0.568 38.663 38.000 0.158 0.000 1.367 281 I HN -0.021 nan 8.210 nan 0.000 0.563 282 K N 5.040 125.521 120.400 0.135 0.000 2.412 282 K HA 0.517 4.838 4.320 0.002 0.000 0.202 282 K C -0.228 176.521 176.600 0.250 0.000 1.102 282 K CA 0.140 56.520 56.287 0.155 0.000 1.027 282 K CB 0.879 33.456 32.500 0.128 0.000 0.931 282 K HN 0.613 nan 8.250 nan 0.000 0.557 283 A N 0.483 123.463 122.820 0.266 0.000 2.574 283 A HA 0.605 4.926 4.320 0.002 0.000 0.297 283 A C -2.106 175.734 177.584 0.427 0.000 1.062 283 A CA -0.641 51.612 52.037 0.359 0.000 0.686 283 A CB 1.187 20.388 19.000 0.335 0.000 1.285 283 A HN 0.138 nan 8.150 nan 0.000 0.403 284 Y N 1.719 122.215 120.300 0.327 0.000 2.338 284 Y HA 0.748 5.299 4.550 0.001 0.000 0.333 284 Y C -1.291 174.845 175.900 0.394 0.000 0.968 284 Y CA -0.775 57.559 58.100 0.390 0.000 1.123 284 Y CB 1.332 39.956 38.460 0.274 0.000 1.165 284 Y HN 0.578 nan 8.280 nan 0.000 0.452 285 I N 5.473 125.998 120.570 -0.075 0.000 2.439 285 I HA 0.266 4.437 4.170 0.002 0.000 0.285 285 I C -0.612 175.350 176.117 -0.257 0.000 1.021 285 I CA -0.678 60.603 61.300 -0.033 0.000 1.091 285 I CB 1.923 39.944 38.000 0.034 0.000 1.242 285 I HN 0.522 nan 8.210 nan 0.000 0.439 286 S N 7.234 122.878 115.700 -0.094 0.000 2.442 286 S HA 0.579 5.050 4.470 0.002 0.000 0.297 286 S C -0.253 174.451 174.600 0.173 0.000 1.131 286 S CA -0.703 57.529 58.200 0.052 0.000 1.092 286 S CB 0.592 63.964 63.200 0.288 0.000 0.998 286 S HN 0.364 nan 8.310 nan 0.000 0.478 287 M N 5.671 125.315 119.600 0.073 0.000 2.088 287 M HA 0.420 4.901 4.480 0.002 0.000 0.346 287 M C -0.038 176.271 176.300 0.015 0.000 1.111 287 M CA -0.102 55.203 55.300 0.008 0.000 1.017 287 M CB 0.431 32.950 32.600 -0.135 0.000 1.568 287 M HN 0.703 nan 8.290 nan 0.000 0.445 288 H N 0.086 119.184 119.070 0.047 0.000 2.949 288 H HA 0.705 5.261 4.556 0.002 0.000 0.310 288 H C -0.358 175.051 175.328 0.135 0.000 1.405 288 H CA -0.503 55.611 56.048 0.111 0.000 1.253 288 H CB 2.278 32.129 29.762 0.149 0.000 1.932 288 H HN 0.666 nan 8.280 nan 0.000 0.602 289 S N -0.446 115.443 115.700 0.314 0.000 2.740 289 S HA 0.324 4.795 4.470 0.002 0.000 0.300 289 S C -0.540 174.243 174.600 0.305 0.000 1.147 289 S CA -0.839 57.548 58.200 0.312 0.000 0.871 289 S CB 1.117 64.523 63.200 0.344 0.000 1.173 289 S HN 0.609 nan 8.310 nan 0.000 0.510 290 Y N 0.107 120.507 120.300 0.168 0.000 3.142 290 Y HA 0.191 4.742 4.550 0.002 0.000 0.353 290 Y C 1.028 176.925 175.900 -0.005 0.000 1.263 290 Y CA 0.661 58.769 58.100 0.014 0.000 1.446 290 Y CB -0.702 37.702 38.460 -0.094 0.000 1.270 290 Y HN 0.969 nan 8.280 nan 0.000 0.658 291 S N -2.133 113.578 115.700 0.019 0.000 4.529 291 S HA -0.174 4.297 4.470 0.002 0.000 0.146 291 S C -0.203 174.152 174.600 -0.408 0.000 0.962 291 S CA 0.174 58.261 58.200 -0.188 0.000 1.211 291 S CB -0.972 62.132 63.200 -0.159 0.000 0.974 291 S HN 0.874 nan 8.310 nan 0.000 0.442 292 Q N 1.491 121.063 119.800 -0.381 0.000 2.459 292 Q HA -0.174 4.167 4.340 0.002 0.000 0.314 292 Q C -0.974 174.739 176.000 -0.478 0.000 1.432 292 Q CA 0.896 56.266 55.803 -0.721 0.000 0.823 292 Q CB -1.403 26.787 28.738 -0.914 0.000 1.124 292 Q HN 0.669 nan 8.270 nan 0.000 0.392 293 H N 0.247 119.368 119.070 0.084 0.000 2.731 293 H HA 0.644 5.200 4.556 0.002 0.000 0.368 293 H C 0.376 175.876 175.328 0.286 0.000 1.168 293 H CA -0.887 55.268 56.048 0.178 0.000 1.181 293 H CB 1.462 31.251 29.762 0.045 0.000 1.743 293 H HN 0.394 nan 8.280 nan 0.000 0.547 294 I N -0.099 120.709 120.570 0.397 0.000 2.382 294 I HA 0.459 4.630 4.170 0.002 0.000 0.285 294 I C -0.912 175.414 176.117 0.348 0.000 1.007 294 I CA -0.742 60.736 61.300 0.297 0.000 1.142 294 I CB 0.954 39.050 38.000 0.160 0.000 1.289 294 I HN 0.006 nan 8.210 nan 0.000 0.453 295 V N 7.369 127.446 119.914 0.272 0.000 2.617 295 V HA 0.590 4.711 4.120 0.002 0.000 0.298 295 V C -0.141 176.105 176.094 0.254 0.000 1.048 295 V CA -0.243 62.134 62.300 0.130 0.000 0.964 295 V CB 1.577 33.380 31.823 -0.034 0.000 1.004 295 V HN 0.749 nan 8.190 nan 0.000 0.466 296 F N 2.467 122.383 119.950 -0.058 0.000 2.645 296 F HA 0.823 5.351 4.527 0.002 0.000 0.310 296 F C -2.990 172.650 175.800 -0.268 0.000 1.102 296 F CA -3.272 54.606 58.000 -0.203 0.000 0.952 296 F CB 0.739 39.578 39.000 -0.269 0.000 1.326 296 F HN 0.256 nan 8.300 nan 0.000 0.456 297 P HA -0.072 nan 4.420 nan 0.000 0.274 297 P C -1.385 175.746 177.300 -0.283 0.000 1.224 297 P CA 0.965 63.852 63.100 -0.355 0.000 0.803 297 P CB -0.101 31.147 31.700 -0.754 0.000 0.876 298 Y N -1.819 118.340 120.300 -0.235 0.000 2.984 298 Y HA -0.143 4.408 4.550 0.002 0.000 0.132 298 Y C 0.771 176.419 175.900 -0.420 0.000 1.924 298 Y CA 0.308 58.165 58.100 -0.404 0.000 0.976 298 Y CB -3.017 35.271 38.460 -0.287 0.000 1.560 298 Y HN 0.219 nan 8.280 nan 0.000 0.353 299 S N -1.045 114.562 115.700 -0.154 0.000 2.554 299 S HA 0.094 4.565 4.470 0.002 0.000 0.226 299 S C 0.973 175.569 174.600 -0.006 0.000 0.980 299 S CA 0.185 58.289 58.200 -0.159 0.000 0.939 299 S CB -0.089 63.038 63.200 -0.123 0.000 0.832 299 S HN 0.623 nan 8.310 nan 0.000 0.486 300 Y N 0.746 121.059 120.300 0.022 0.000 2.457 300 Y HA 0.577 5.128 4.550 0.002 0.000 0.263 300 Y C 0.520 176.326 175.900 -0.158 0.000 1.164 300 Y CA -0.230 57.859 58.100 -0.019 0.000 1.274 300 Y CB -0.146 38.343 38.460 0.048 0.000 1.097 300 Y HN 0.092 nan 8.280 nan 0.000 0.523 301 T N -0.003 114.332 114.554 -0.365 0.000 2.840 301 T HA 0.375 4.726 4.350 0.002 0.000 0.317 301 T C 0.149 174.767 174.700 -0.136 0.000 1.401 301 T CA -0.798 61.110 62.100 -0.320 0.000 1.028 301 T CB 1.494 70.064 68.868 -0.496 0.000 1.317 301 T HN 0.203 nan 8.240 nan 0.000 0.495 302 R N 0.819 121.280 120.500 -0.065 0.000 2.254 302 R HA 0.216 4.558 4.340 0.002 0.000 0.195 302 R C 0.549 176.859 176.300 0.017 0.000 0.957 302 R CA 0.027 56.161 56.100 0.057 0.000 1.024 302 R CB 0.108 30.413 30.300 0.008 0.000 0.952 302 R HN 0.476 nan 8.270 nan 0.000 0.484 303 S N 1.985 117.649 115.700 -0.059 0.000 2.549 303 S HA 0.095 4.566 4.470 0.002 0.000 0.283 303 S C 0.248 174.790 174.600 -0.097 0.000 1.320 303 S CA 0.037 58.181 58.200 -0.092 0.000 1.058 303 S CB 1.088 64.248 63.200 -0.066 0.000 0.882 303 S HN 0.088 nan 8.310 nan 0.000 0.498 304 K N 1.816 122.080 120.400 -0.228 0.000 2.276 304 K HA 0.174 4.495 4.320 0.002 0.000 0.259 304 K C 0.504 177.151 176.600 0.077 0.000 1.001 304 K CA -0.293 55.816 56.287 -0.296 0.000 0.927 304 K CB 0.316 32.532 32.500 -0.473 0.000 0.969 304 K HN 0.700 nan 8.250 nan 0.000 0.490 305 S N 1.139 116.885 115.700 0.078 0.000 2.579 305 S HA 0.014 4.485 4.470 0.002 0.000 0.275 305 S C 1.066 175.738 174.600 0.120 0.000 1.345 305 S CA -0.679 57.504 58.200 -0.028 0.000 1.031 305 S CB 1.224 64.146 63.200 -0.464 0.000 0.892 305 S HN 0.638 nan 8.310 nan 0.000 0.529 306 K N 0.843 121.359 120.400 0.193 0.000 2.063 306 K HA -0.155 4.166 4.320 0.002 0.000 0.208 306 K C 0.261 176.935 176.600 0.123 0.000 1.048 306 K CA 1.745 58.123 56.287 0.152 0.000 0.928 306 K CB -0.146 32.438 32.500 0.139 0.000 0.713 306 K HN 0.655 nan 8.250 nan 0.000 0.442 307 D N -0.727 119.753 120.400 0.133 0.000 2.561 307 D HA -0.014 4.627 4.640 0.002 0.000 0.232 307 D C 0.561 176.886 176.300 0.042 0.000 1.198 307 D CA 0.051 54.094 54.000 0.071 0.000 0.826 307 D CB 0.148 40.977 40.800 0.048 0.000 0.992 307 D HN 0.399 nan 8.370 nan 0.000 0.490 308 H N 1.700 120.777 119.070 0.013 0.000 2.290 308 H HA -0.111 4.446 4.556 0.002 0.000 0.298 308 H C 1.648 177.015 175.328 0.066 0.000 1.087 308 H CA 1.887 57.993 56.048 0.097 0.000 1.291 308 H CB 0.466 30.263 29.762 0.059 0.000 1.369 308 H HN 0.052 nan 8.280 nan 0.000 0.492 309 E N -0.376 119.954 120.200 0.217 0.000 2.209 309 E HA -0.231 4.120 4.350 0.002 0.000 0.196 309 E C 2.124 178.735 176.600 0.019 0.000 0.993 309 E CA 1.324 57.806 56.400 0.136 0.000 0.819 309 E CB 0.051 29.822 29.700 0.117 0.000 0.745 309 E HN 0.662 nan 8.360 nan 0.000 0.477 310 E N 0.573 120.768 120.200 -0.007 0.000 2.030 310 E HA -0.089 4.262 4.350 0.002 0.000 0.189 310 E C 2.001 178.500 176.600 -0.168 0.000 0.974 310 E CA 0.334 56.716 56.400 -0.029 0.000 0.807 310 E CB 0.011 29.745 29.700 0.056 0.000 0.771 310 E HN 0.152 nan 8.360 nan 0.000 0.451 311 L N 0.927 121.985 121.223 -0.276 0.000 2.261 311 L HA -0.130 4.211 4.340 0.002 0.000 0.216 311 L C 2.628 178.859 176.870 -1.064 0.000 1.114 311 L CA 0.849 55.352 54.840 -0.561 0.000 0.777 311 L CB -0.348 41.291 42.059 -0.701 0.000 0.910 311 L HN 0.225 nan 8.230 nan 0.000 0.440 312 S N -0.021 115.183 115.700 -0.826 0.000 2.395 312 S HA -0.077 4.394 4.470 0.002 0.000 0.225 312 S C 1.871 176.269 174.600 -0.336 0.000 1.027 312 S CA 0.631 58.514 58.200 -0.528 0.000 0.965 312 S CB 0.022 63.126 63.200 -0.160 0.000 0.812 312 S HN 0.258 nan 8.310 nan 0.000 0.482 313 L N 1.177 122.253 121.223 -0.245 0.000 2.201 313 L HA 0.024 4.365 4.340 0.002 0.000 0.212 313 L C 2.099 178.832 176.870 -0.229 0.000 1.105 313 L CA 0.900 55.630 54.840 -0.184 0.000 0.775 313 L CB -0.204 41.803 42.059 -0.086 0.000 0.913 313 L HN 0.179 nan 8.230 nan 0.000 0.440 314 V N -0.880 118.851 119.914 -0.304 0.000 2.255 314 V HA -0.217 3.904 4.120 0.002 0.000 0.243 314 V C 2.637 178.536 176.094 -0.325 0.000 1.038 314 V CA 1.523 63.606 62.300 -0.361 0.000 1.008 314 V CB -1.080 30.488 31.823 -0.424 0.000 0.645 314 V HN 0.488 nan 8.190 nan 0.000 0.449 315 A N -0.483 122.147 122.820 -0.317 0.000 1.917 315 A HA -0.274 4.047 4.320 0.002 0.000 0.219 315 A C 2.543 180.016 177.584 -0.185 0.000 1.182 315 A CA 2.408 54.320 52.037 -0.208 0.000 0.633 315 A CB -0.869 18.111 19.000 -0.035 0.000 0.819 315 A HN 0.479 nan 8.150 nan 0.000 0.448 316 S N -1.060 114.441 115.700 -0.333 0.000 2.419 316 S HA -0.179 4.292 4.470 0.002 0.000 0.233 316 S C 1.906 176.383 174.600 -0.205 0.000 1.016 316 S CA 1.670 59.613 58.200 -0.428 0.000 0.974 316 S CB -0.232 62.578 63.200 -0.650 0.000 0.786 316 S HN 0.694 nan 8.310 nan 0.000 0.492 317 E N -0.116 119.973 120.200 -0.186 0.000 2.230 317 E HA 0.195 4.546 4.350 0.002 0.000 0.192 317 E C 1.934 178.460 176.600 -0.122 0.000 0.987 317 E CA 0.670 56.995 56.400 -0.126 0.000 0.841 317 E CB -0.214 29.422 29.700 -0.106 0.000 0.783 317 E HN 0.565 nan 8.360 nan 0.000 0.481 318 A N 0.083 122.802 122.820 -0.168 0.000 1.968 318 A HA -0.066 4.255 4.320 0.002 0.000 0.217 318 A C 2.163 179.652 177.584 -0.157 0.000 1.169 318 A CA 0.931 52.859 52.037 -0.182 0.000 0.638 318 A CB -0.178 18.658 19.000 -0.273 0.000 0.812 318 A HN 0.204 nan 8.150 nan 0.000 0.446 319 V N -0.687 119.162 119.914 -0.108 0.000 3.306 319 V HA -0.033 4.088 4.120 0.002 0.000 0.264 319 V C 2.375 178.459 176.094 -0.017 0.000 1.149 319 V CA 1.412 63.679 62.300 -0.056 0.000 1.143 319 V CB -0.659 31.218 31.823 0.089 0.000 0.767 319 V HN 0.507 nan 8.190 nan 0.000 0.476 320 R N -0.201 120.279 120.500 -0.033 0.000 2.140 320 R HA 0.124 4.465 4.340 0.002 0.000 0.213 320 R C 2.412 178.696 176.300 -0.026 0.000 1.059 320 R CA 0.988 57.078 56.100 -0.016 0.000 1.000 320 R CB -0.260 30.027 30.300 -0.021 0.000 0.910 320 R HN 0.479 nan 8.270 nan 0.000 0.455 321 A N 1.277 124.068 122.820 -0.049 0.000 1.892 321 A HA -0.203 4.118 4.320 0.002 0.000 0.218 321 A C 2.014 179.578 177.584 -0.034 0.000 1.188 321 A CA 1.449 53.461 52.037 -0.041 0.000 0.631 321 A CB -0.500 18.468 19.000 -0.053 0.000 0.822 321 A HN 0.219 nan 8.150 nan 0.000 0.447 322 I N -0.959 119.570 120.570 -0.069 0.000 2.193 322 I HA -0.199 3.972 4.170 0.002 0.000 0.240 322 I C 2.360 178.485 176.117 0.013 0.000 1.084 322 I CA 1.398 62.659 61.300 -0.066 0.000 1.365 322 I CB -0.533 37.339 38.000 -0.213 0.000 1.064 322 I HN 0.370 nan 8.210 nan 0.000 0.410 323 E N 0.714 120.933 120.200 0.032 0.000 2.331 323 E HA -0.230 4.121 4.350 0.002 0.000 0.199 323 E C 1.785 178.409 176.600 0.041 0.000 1.008 323 E CA 0.996 57.432 56.400 0.061 0.000 0.843 323 E CB 0.058 29.799 29.700 0.068 0.000 0.761 323 E HN 0.391 nan 8.360 nan 0.000 0.507 324 K N -0.898 119.516 120.400 0.024 0.000 2.354 324 K HA 0.031 4.352 4.320 0.002 0.000 0.194 324 K C 2.018 178.630 176.600 0.020 0.000 1.045 324 K CA 0.380 56.678 56.287 0.018 0.000 1.026 324 K CB 0.424 32.928 32.500 0.007 0.000 0.866 324 K HN -0.084 nan 8.250 nan 0.000 0.530 325 T N 0.083 114.650 114.554 0.022 0.000 2.857 325 T HA -0.035 4.316 4.350 0.002 0.000 0.266 325 T C 0.250 174.969 174.700 0.032 0.000 1.048 325 T CA 1.057 63.174 62.100 0.027 0.000 1.139 325 T CB 0.089 68.975 68.868 0.030 0.000 0.874 325 T HN 0.188 nan 8.240 nan 0.000 0.455 326 S N 0.949 116.674 115.700 0.042 0.000 2.737 326 S HA 0.588 5.059 4.470 0.002 0.000 0.269 326 S C -0.545 174.089 174.600 0.056 0.000 1.150 326 S CA -1.232 56.997 58.200 0.048 0.000 1.077 326 S CB 1.871 65.107 63.200 0.059 0.000 1.075 326 S HN 0.627 nan 8.310 nan 0.000 0.476 327 K N 1.938 122.364 120.400 0.044 0.000 2.140 327 K HA -0.300 4.021 4.320 0.002 0.000 0.322 327 K C -0.300 176.329 176.600 0.049 0.000 1.645 327 K CA 1.243 57.556 56.287 0.042 0.000 0.779 327 K CB -1.252 31.273 32.500 0.043 0.000 0.959 327 K HN 0.592 nan 8.250 nan 0.000 0.857 328 N N 0.602 119.330 118.700 0.046 0.000 2.601 328 N HA 0.006 4.747 4.740 0.002 0.000 0.201 328 N C -0.665 174.878 175.510 0.054 0.000 1.355 328 N CA 0.890 53.967 53.050 0.045 0.000 0.880 328 N CB -0.338 38.171 38.487 0.036 0.000 1.071 328 N HN 0.388 nan 8.380 nan 0.000 0.454 329 T N 0.601 115.197 114.554 0.071 0.000 2.899 329 T HA 0.344 4.695 4.350 0.002 0.000 0.295 329 T C 0.459 175.224 174.700 0.108 0.000 1.033 329 T CA -0.289 61.865 62.100 0.090 0.000 1.084 329 T CB 1.268 70.216 68.868 0.132 0.000 0.979 329 T HN 0.119 nan 8.240 nan 0.000 0.532 330 R N 0.770 121.331 120.500 0.101 0.000 2.626 330 R HA 0.423 4.764 4.340 0.002 0.000 0.274 330 R C -1.561 174.814 176.300 0.124 0.000 1.031 330 R CA -0.683 55.495 56.100 0.130 0.000 0.898 330 R CB 1.984 32.326 30.300 0.070 0.000 1.222 330 R HN 0.646 nan 8.270 nan 0.000 0.455 331 Y N -0.174 120.149 120.300 0.038 0.000 2.587 331 Y HA 0.453 5.004 4.550 0.002 0.000 0.337 331 Y C 0.380 176.332 175.900 0.087 0.000 1.065 331 Y CA -0.642 57.482 58.100 0.041 0.000 1.126 331 Y CB 2.611 41.105 38.460 0.055 0.000 1.279 331 Y HN 0.461 nan 8.280 nan 0.000 0.489 332 T N -0.438 114.283 114.554 0.279 0.000 2.841 332 T HA 0.323 4.674 4.350 0.002 0.000 0.283 332 T C -0.987 173.895 174.700 0.303 0.000 1.000 332 T CA -1.009 61.242 62.100 0.252 0.000 0.977 332 T CB 0.843 69.854 68.868 0.237 0.000 0.979 332 T HN 0.619 nan 8.240 nan 0.000 0.446 333 H N 0.476 119.676 119.070 0.217 0.000 2.472 333 H HA 0.799 5.356 4.556 0.002 0.000 0.335 333 H C 0.000 175.432 175.328 0.174 0.000 1.136 333 H CA -1.136 55.044 56.048 0.219 0.000 1.264 333 H CB 1.439 31.316 29.762 0.191 0.000 1.486 333 H HN 1.100 nan 8.280 nan 0.000 0.517 334 G N 1.096 110.031 108.800 0.224 0.000 2.411 334 G HA2 0.044 4.005 3.960 0.002 0.000 0.295 334 G HA3 0.044 4.005 3.960 0.002 0.000 0.295 334 G C -1.661 172.960 174.900 -0.464 0.000 1.542 334 G CA -1.009 44.079 45.100 -0.020 0.000 0.814 334 G HN 0.981 nan 8.290 nan 0.000 0.557 335 H N 0.758 119.442 119.070 -0.644 0.000 3.091 335 H HA 0.156 4.713 4.556 0.002 0.000 0.289 335 H C 1.617 176.651 175.328 -0.489 0.000 0.995 335 H CA 0.767 56.335 56.048 -0.800 0.000 1.461 335 H CB 0.982 30.582 29.762 -0.270 0.000 1.510 335 H HN 0.691 nan 8.280 nan 0.000 0.546 336 G N 3.245 111.528 108.800 -0.861 0.000 2.568 336 G HA2 -0.314 3.647 3.960 0.002 0.000 0.220 336 G HA3 -0.314 3.647 3.960 0.002 0.000 0.220 336 G C 1.482 176.053 174.900 -0.549 0.000 1.104 336 G CA 0.980 45.720 45.100 -0.600 0.000 0.738 336 G HN 0.653 nan 8.290 nan 0.000 0.574 337 S N -1.739 113.537 115.700 -0.707 0.000 2.524 337 S HA 0.248 4.719 4.470 0.002 0.000 0.215 337 S C 1.602 176.061 174.600 -0.235 0.000 0.986 337 S CA 0.653 58.625 58.200 -0.381 0.000 0.911 337 S CB 0.460 63.482 63.200 -0.296 0.000 0.805 337 S HN 0.441 nan 8.310 nan 0.000 0.501 338 E N 0.360 120.412 120.200 -0.246 0.000 2.332 338 E HA 0.081 4.432 4.350 0.002 0.000 0.202 338 E C 1.432 177.919 176.600 -0.187 0.000 0.877 338 E CA 0.544 56.872 56.400 -0.120 0.000 0.979 338 E CB 0.267 29.968 29.700 0.002 0.000 0.969 338 E HN 0.462 nan 8.360 nan 0.000 0.495 339 T N 1.455 115.833 114.554 -0.294 0.000 2.674 339 T HA -0.074 4.277 4.350 0.002 0.000 0.265 339 T C 1.718 176.133 174.700 -0.476 0.000 1.039 339 T CA 1.034 62.874 62.100 -0.433 0.000 1.150 339 T CB 0.018 68.539 68.868 -0.578 0.000 0.864 339 T HN 0.008 nan 8.240 nan 0.000 0.427 340 L N -1.781 119.136 121.223 -0.510 0.000 2.814 340 L HA 0.367 4.708 4.340 0.002 0.000 0.182 340 L C -0.038 176.489 176.870 -0.571 0.000 1.386 340 L CA -0.149 54.287 54.840 -0.674 0.000 1.190 340 L CB 0.211 41.695 42.059 -0.958 0.000 1.399 340 L HN 0.384 nan 8.230 nan 0.000 0.685 341 Y N -3.263 116.967 120.300 -0.116 0.000 2.750 341 Y HA 0.496 5.047 4.550 0.002 0.000 0.335 341 Y C -1.116 174.724 175.900 -0.100 0.000 1.252 341 Y CA -1.569 56.475 58.100 -0.092 0.000 1.064 341 Y CB 0.460 38.883 38.460 -0.063 0.000 1.321 341 Y HN -0.179 nan 8.280 nan 0.000 0.451 342 L N 2.132 123.454 121.223 0.165 0.000 2.453 342 L HA 0.566 4.907 4.340 0.002 0.000 0.272 342 L C 0.041 176.994 176.870 0.138 0.000 1.182 342 L CA 0.642 55.535 54.840 0.087 0.000 0.858 342 L CB 0.999 43.078 42.059 0.033 0.000 1.120 342 L HN 0.821 nan 8.230 nan 0.000 0.474 343 A N 4.834 127.726 122.820 0.120 0.000 2.770 343 A HA 0.519 4.840 4.320 0.002 0.000 0.295 343 A C -2.757 174.909 177.584 0.138 0.000 1.256 343 A CA -0.786 51.328 52.037 0.128 0.000 0.870 343 A CB 0.316 19.445 19.000 0.216 0.000 1.451 343 A HN 0.358 nan 8.150 nan 0.000 0.505 344 P HA 0.570 nan 4.420 nan 0.000 0.293 344 P C 0.622 178.010 177.300 0.147 0.000 1.300 344 P CA 0.650 63.856 63.100 0.176 0.000 0.792 344 P CB 1.383 33.173 31.700 0.151 0.000 0.925 345 G N 1.665 110.616 108.800 0.251 0.000 2.189 345 G HA2 0.062 4.023 3.960 0.002 0.000 0.113 345 G HA3 0.062 4.023 3.960 0.002 0.000 0.113 345 G C 0.129 175.243 174.900 0.356 0.000 1.038 345 G CA -0.360 44.950 45.100 0.350 0.000 0.704 345 G HN 0.827 nan 8.290 nan 0.000 0.490 346 G N -1.098 107.855 108.800 0.256 0.000 2.471 346 G HA2 0.658 4.619 3.960 0.002 0.000 0.332 346 G HA3 0.658 4.619 3.960 0.002 0.000 0.332 346 G C 1.189 175.974 174.900 -0.191 0.000 1.176 346 G CA 0.062 45.224 45.100 0.103 0.000 0.949 346 G HN 1.048 nan 8.290 nan 0.000 0.488 347 G N 0.441 108.749 108.800 -0.821 0.000 2.440 347 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 347 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 347 G C 1.353 175.945 174.900 -0.513 0.000 1.154 347 G CA 1.699 46.100 45.100 -1.165 0.000 0.767 347 G HN 0.687 nan 8.290 nan 0.000 0.552 348 D N 1.187 121.476 120.400 -0.185 0.000 2.117 348 D HA -0.097 4.544 4.640 0.002 0.000 0.198 348 D C 1.469 177.786 176.300 0.028 0.000 0.982 348 D CA 1.276 55.247 54.000 -0.048 0.000 0.828 348 D CB -0.695 40.186 40.800 0.135 0.000 0.967 348 D HN 0.195 nan 8.370 nan 0.000 0.464 349 D N -0.233 120.255 120.400 0.147 0.000 2.178 349 D HA -0.086 4.555 4.640 0.002 0.000 0.202 349 D C 1.684 178.223 176.300 0.398 0.000 0.974 349 D CA 0.648 54.867 54.000 0.365 0.000 0.841 349 D CB -0.567 40.552 40.800 0.532 0.000 0.953 349 D HN 0.459 nan 8.370 nan 0.000 0.478 350 W N 1.105 122.455 121.300 0.083 0.000 2.441 350 W HA 0.068 4.728 4.660 0.001 0.000 0.302 350 W C 1.847 178.380 176.519 0.022 0.000 1.191 350 W CA 0.519 57.906 57.345 0.069 0.000 1.327 350 W CB -0.503 29.016 29.460 0.097 0.000 1.128 350 W HN -0.113 nan 8.180 nan 0.000 0.522 351 I N 0.060 120.349 120.570 -0.468 0.000 2.928 351 I HA -0.180 3.991 4.170 0.002 0.000 0.266 351 I C 2.175 178.054 176.117 -0.395 0.000 1.234 351 I CA 0.826 61.611 61.300 -0.859 0.000 1.483 351 I CB -0.356 37.192 38.000 -0.755 0.000 1.097 351 I HN 0.099 nan 8.210 nan 0.000 0.455 352 Y N 1.795 121.935 120.300 -0.266 0.000 2.109 352 Y HA -0.285 4.266 4.550 0.002 0.000 0.285 352 Y C 2.083 177.916 175.900 -0.113 0.000 1.131 352 Y CA 1.784 59.777 58.100 -0.179 0.000 1.121 352 Y CB -0.484 37.885 38.460 -0.151 0.000 0.987 352 Y HN 0.189 nan 8.280 nan 0.000 0.495 353 D N 0.462 120.847 120.400 -0.025 0.000 2.254 353 D HA -0.250 4.391 4.640 0.002 0.000 0.201 353 D C 2.214 178.388 176.300 -0.210 0.000 0.998 353 D CA 1.483 55.459 54.000 -0.039 0.000 0.885 353 D CB -0.430 40.449 40.800 0.131 0.000 0.915 353 D HN 0.453 nan 8.370 nan 0.000 0.460 354 L N -1.382 119.640 121.223 -0.335 0.000 2.131 354 L HA 0.057 4.398 4.340 0.002 0.000 0.206 354 L C 1.670 178.359 176.870 -0.301 0.000 1.087 354 L CA 1.398 56.017 54.840 -0.367 0.000 0.767 354 L CB 0.184 41.870 42.059 -0.622 0.000 0.917 354 L HN 0.272 nan 8.230 nan 0.000 0.441 355 G N -1.368 107.232 108.800 -0.334 0.000 3.246 355 G HA2 -0.079 3.882 3.960 0.002 0.000 0.218 355 G HA3 -0.079 3.882 3.960 0.002 0.000 0.218 355 G C -0.025 174.732 174.900 -0.239 0.000 0.978 355 G CA -0.432 44.503 45.100 -0.274 0.000 0.825 355 G HN -0.001 nan 8.290 nan 0.000 0.546 356 I N 2.618 123.060 120.570 -0.213 0.000 2.406 356 I HA 0.273 4.444 4.170 0.002 0.000 0.293 356 I C 1.373 177.453 176.117 -0.061 0.000 1.101 356 I CA 0.027 61.268 61.300 -0.099 0.000 1.334 356 I CB 0.886 38.856 38.000 -0.049 0.000 1.421 356 I HN 0.173 nan 8.210 nan 0.000 0.513 357 K N 5.140 125.451 120.400 -0.149 0.000 2.031 357 K HA -0.071 4.250 4.320 0.002 0.000 0.205 357 K C -0.132 176.283 176.600 -0.308 0.000 1.049 357 K CA 1.161 57.299 56.287 -0.248 0.000 0.939 357 K CB 0.127 32.240 32.500 -0.644 0.000 0.717 357 K HN 0.380 nan 8.250 nan 0.000 0.438 358 Y N 0.562 120.919 120.300 0.094 0.000 2.600 358 Y HA 0.226 4.776 4.550 0.001 0.000 0.351 358 Y C -0.278 175.597 175.900 -0.042 0.000 1.042 358 Y CA -0.400 57.733 58.100 0.055 0.000 1.333 358 Y CB 1.037 39.679 38.460 0.303 0.000 1.172 358 Y HN -0.179 nan 8.280 nan 0.000 0.517 359 S N 4.711 120.122 115.700 -0.481 0.000 2.647 359 S HA 0.797 5.268 4.470 0.002 0.000 0.300 359 S C -1.253 172.914 174.600 -0.722 0.000 1.129 359 S CA -0.531 57.527 58.200 -0.237 0.000 1.029 359 S CB 0.163 63.328 63.200 -0.057 0.000 1.007 359 S HN 0.378 nan 8.310 nan 0.000 0.484 360 F N 1.237 121.332 119.950 0.241 0.000 2.599 360 F HA 0.519 5.047 4.527 0.001 0.000 0.311 360 F C 0.445 176.346 175.800 0.168 0.000 1.076 360 F CA -0.827 57.279 58.000 0.176 0.000 0.937 360 F CB 2.259 41.325 39.000 0.110 0.000 1.282 360 F HN 0.239 nan 8.300 nan 0.000 0.460 361 T N 3.031 117.770 114.554 0.307 0.000 2.823 361 T HA 0.601 4.952 4.350 0.002 0.000 0.279 361 T C -0.438 174.382 174.700 0.199 0.000 0.998 361 T CA -0.424 61.797 62.100 0.202 0.000 0.994 361 T CB 0.874 69.781 68.868 0.066 0.000 0.960 361 T HN 0.340 nan 8.240 nan 0.000 0.448 362 I N 3.393 124.055 120.570 0.154 0.000 2.371 362 I HA 0.220 4.391 4.170 0.002 0.000 0.282 362 I C 0.356 176.574 176.117 0.168 0.000 1.031 362 I CA -0.662 60.710 61.300 0.121 0.000 1.180 362 I CB 0.940 38.925 38.000 -0.026 0.000 1.336 362 I HN 0.445 nan 8.210 nan 0.000 0.467 363 E N 7.066 127.394 120.200 0.214 0.000 2.166 363 E HA 0.242 4.593 4.350 0.002 0.000 0.279 363 E C 0.185 176.929 176.600 0.239 0.000 1.095 363 E CA -0.090 56.433 56.400 0.205 0.000 0.888 363 E CB 1.600 31.388 29.700 0.145 0.000 1.041 363 E HN 0.552 nan 8.360 nan 0.000 0.414 364 L N 2.190 123.541 121.223 0.213 0.000 2.767 364 L HA 0.237 4.578 4.340 0.002 0.000 0.157 364 L C 1.255 178.204 176.870 0.132 0.000 1.227 364 L CA -0.193 54.783 54.840 0.226 0.000 1.557 364 L CB 0.082 42.239 42.059 0.163 0.000 2.290 364 L HN 0.358 nan 8.230 nan 0.000 0.495 365 R N -0.354 120.221 120.500 0.125 0.000 2.643 365 R HA 0.249 4.590 4.340 0.002 0.000 0.272 365 R C -1.345 174.959 176.300 0.006 0.000 0.995 365 R CA -0.276 55.838 56.100 0.024 0.000 1.032 365 R CB 1.013 31.359 30.300 0.076 0.000 1.126 365 R HN 0.601 nan 8.270 nan 0.000 0.505 366 D N 0.245 120.593 120.400 -0.088 0.000 3.625 366 D HA -0.118 4.523 4.640 0.002 0.000 0.217 366 D C 0.731 176.926 176.300 -0.175 0.000 1.064 366 D CA 0.818 54.716 54.000 -0.170 0.000 0.989 366 D CB -0.259 40.399 40.800 -0.237 0.000 0.789 366 D HN 0.777 nan 8.370 nan 0.000 0.376 367 T N 0.550 115.035 114.554 -0.116 0.000 2.684 367 T HA -0.110 4.241 4.350 0.002 0.000 0.267 367 T C 1.546 176.272 174.700 0.044 0.000 1.032 367 T CA 1.663 63.752 62.100 -0.018 0.000 1.155 367 T CB -0.122 68.712 68.868 -0.056 0.000 0.857 367 T HN 1.327 nan 8.240 nan 0.000 0.457 368 G N -0.472 108.186 108.800 -0.237 0.000 4.445 368 G HA2 0.277 4.238 3.960 0.002 0.000 0.228 368 G HA3 0.277 4.238 3.960 0.002 0.000 0.228 368 G C 0.412 174.969 174.900 -0.572 0.000 2.381 368 G CA 0.484 45.279 45.100 -0.508 0.000 0.984 368 G HN 0.580 nan 8.290 nan 0.000 0.427 369 T N -2.132 112.132 114.554 -0.483 0.000 2.980 369 T HA 0.119 4.470 4.350 0.002 0.000 0.239 369 T C 1.729 176.065 174.700 -0.607 0.000 1.011 369 T CA 1.139 62.909 62.100 -0.550 0.000 1.171 369 T CB 0.023 68.543 68.868 -0.581 0.000 0.873 369 T HN 0.120 nan 8.240 nan 0.000 0.431 370 Y N 1.532 121.638 120.300 -0.323 0.000 2.507 370 Y HA 0.449 5.000 4.550 0.002 0.000 0.263 370 Y C 2.333 178.070 175.900 -0.272 0.000 1.093 370 Y CA -0.473 57.484 58.100 -0.238 0.000 1.285 370 Y CB -0.590 37.719 38.460 -0.252 0.000 1.115 370 Y HN 0.454 nan 8.280 nan 0.000 0.533 371 G N 1.498 109.993 108.800 -0.508 0.000 2.723 371 G HA2 -0.426 3.535 3.960 0.002 0.000 0.356 371 G HA3 -0.426 3.535 3.960 0.002 0.000 0.356 371 G C 1.039 175.611 174.900 -0.548 0.000 1.164 371 G CA 1.653 46.039 45.100 -1.191 0.000 0.939 371 G HN 0.269 nan 8.290 nan 0.000 0.570 372 F N 0.654 120.192 119.950 -0.687 0.000 2.664 372 F HA 0.401 4.929 4.527 0.002 0.000 0.296 372 F C 2.186 177.739 175.800 -0.410 0.000 1.125 372 F CA 0.307 57.967 58.000 -0.567 0.000 1.444 372 F CB -0.116 38.313 39.000 -0.950 0.000 1.114 372 F HN 0.115 nan 8.300 nan 0.000 0.576 373 L N 0.952 122.127 121.223 -0.080 0.000 2.928 373 L HA 0.173 4.514 4.340 0.002 0.000 0.236 373 L C -0.067 176.753 176.870 -0.083 0.000 1.290 373 L CA -0.519 54.262 54.840 -0.098 0.000 1.099 373 L CB -0.150 41.922 42.059 0.021 0.000 1.437 373 L HN -0.082 nan 8.230 nan 0.000 0.493 374 L N 2.626 123.810 121.223 -0.064 0.000 2.638 374 L HA 0.214 4.555 4.340 0.002 0.000 0.273 374 L C -2.046 174.842 176.870 0.030 0.000 1.147 374 L CA -1.353 53.437 54.840 -0.083 0.000 0.941 374 L CB -0.169 41.897 42.059 0.011 0.000 1.251 374 L HN -0.055 nan 8.230 nan 0.000 0.479 375 P HA 0.047 nan 4.420 nan 0.000 0.270 375 P C 0.369 177.741 177.300 0.119 0.000 1.227 375 P CA -0.124 62.975 63.100 -0.001 0.000 0.788 375 P CB 0.552 32.158 31.700 -0.156 0.000 0.926 376 E N 0.720 120.935 120.200 0.026 0.000 2.049 376 E HA -0.262 4.089 4.350 0.002 0.000 0.198 376 E C 1.857 178.414 176.600 -0.073 0.000 1.007 376 E CA 1.471 57.798 56.400 -0.122 0.000 0.809 376 E CB -0.433 29.189 29.700 -0.130 0.000 0.749 376 E HN 0.350 nan 8.360 nan 0.000 0.450 377 R N -0.169 120.288 120.500 -0.070 0.000 2.227 377 R HA -0.262 4.079 4.340 0.002 0.000 0.259 377 R C 1.973 178.134 176.300 -0.232 0.000 1.139 377 R CA 2.168 58.148 56.100 -0.199 0.000 0.969 377 R CB -0.776 29.294 30.300 -0.382 0.000 0.903 377 R HN 0.351 nan 8.270 nan 0.000 0.452 378 Y N -0.051 120.216 120.300 -0.054 0.000 2.546 378 Y HA 0.108 4.659 4.550 0.002 0.000 0.287 378 Y C 1.974 177.855 175.900 -0.032 0.000 1.158 378 Y CA 0.134 58.218 58.100 -0.026 0.000 1.307 378 Y CB -0.052 38.405 38.460 -0.006 0.000 1.036 378 Y HN 0.043 nan 8.280 nan 0.000 0.532 379 I N -0.038 120.556 120.570 0.041 0.000 2.361 379 I HA -0.296 3.875 4.170 0.002 0.000 0.251 379 I C 2.562 178.618 176.117 -0.102 0.000 1.133 379 I CA 1.368 62.651 61.300 -0.029 0.000 1.413 379 I CB -0.193 37.727 38.000 -0.133 0.000 1.073 379 I HN 0.176 nan 8.210 nan 0.000 0.424 380 K N 1.417 121.779 120.400 -0.064 0.000 1.967 380 K HA -0.123 4.198 4.320 0.002 0.000 0.212 380 K C -0.558 175.946 176.600 -0.160 0.000 1.044 380 K CA 1.491 57.739 56.287 -0.066 0.000 0.942 380 K CB -1.053 31.479 32.500 0.053 0.000 0.726 380 K HN 0.140 nan 8.250 nan 0.000 0.440 381 P HA -0.095 nan 4.420 nan 0.000 0.220 381 P C 1.107 178.386 177.300 -0.035 0.000 1.148 381 P CA 1.332 64.407 63.100 -0.042 0.000 0.803 381 P CB -0.059 31.645 31.700 0.007 0.000 0.782 382 T N -0.073 114.475 114.554 -0.011 0.000 2.614 382 T HA -0.124 4.227 4.350 0.002 0.000 0.263 382 T C 1.989 176.646 174.700 -0.072 0.000 1.055 382 T CA 1.783 63.901 62.100 0.032 0.000 1.162 382 T CB -1.037 67.887 68.868 0.092 0.000 0.863 382 T HN 0.142 nan 8.240 nan 0.000 0.414 383 C N 0.865 120.005 119.300 -0.268 0.000 2.422 383 C HA 0.050 4.511 4.460 0.002 0.000 0.279 383 C C 2.838 177.354 174.990 -0.789 0.000 1.305 383 C CA 0.357 59.087 59.018 -0.480 0.000 1.757 383 C CB -1.012 25.997 27.740 -1.219 0.000 1.962 383 C HN 0.508 nan 8.230 nan 0.000 0.499 384 R N 1.367 121.382 120.500 -0.810 0.000 2.081 384 R HA -0.154 4.187 4.340 0.002 0.000 0.235 384 R C 2.367 178.616 176.300 -0.084 0.000 1.131 384 R CA 1.951 57.782 56.100 -0.449 0.000 0.960 384 R CB -0.257 29.935 30.300 -0.180 0.000 0.856 384 R HN 0.797 nan 8.270 nan 0.000 0.436 385 E N -0.421 119.746 120.200 -0.056 0.000 2.107 385 E HA -0.114 4.237 4.350 0.002 0.000 0.191 385 E C 1.863 178.455 176.600 -0.015 0.000 0.982 385 E CA 0.985 57.381 56.400 -0.007 0.000 0.809 385 E CB -0.275 29.427 29.700 0.003 0.000 0.756 385 E HN 0.329 nan 8.360 nan 0.000 0.459 386 A N 1.244 124.066 122.820 0.003 0.000 1.917 386 A HA -0.185 4.136 4.320 0.002 0.000 0.219 386 A C 2.018 179.710 177.584 0.180 0.000 1.182 386 A CA 1.497 53.514 52.037 -0.034 0.000 0.633 386 A CB -1.022 17.873 19.000 -0.174 0.000 0.819 386 A HN 0.450 nan 8.150 nan 0.000 0.448 387 F N 0.711 120.838 119.950 0.295 0.000 2.186 387 F HA -0.029 4.499 4.527 0.001 0.000 0.299 387 F C 2.527 178.459 175.800 0.221 0.000 1.090 387 F CA 1.103 59.336 58.000 0.389 0.000 1.307 387 F CB -0.269 38.951 39.000 0.366 0.000 1.019 387 F HN 0.256 nan 8.300 nan 0.000 0.489 388 A N 0.113 123.103 122.820 0.284 0.000 1.978 388 A HA -0.126 4.195 4.320 0.002 0.000 0.220 388 A C 2.326 179.906 177.584 -0.006 0.000 1.170 388 A CA 1.874 53.989 52.037 0.129 0.000 0.636 388 A CB -1.387 17.660 19.000 0.078 0.000 0.810 388 A HN 0.485 nan 8.150 nan 0.000 0.448 389 A N -0.781 121.999 122.820 -0.068 0.000 1.861 389 A HA 0.134 4.455 4.320 0.002 0.000 0.212 389 A C 2.173 179.668 177.584 -0.148 0.000 1.199 389 A CA 1.353 53.300 52.037 -0.152 0.000 0.613 389 A CB -0.936 17.924 19.000 -0.233 0.000 0.846 389 A HN 0.374 nan 8.150 nan 0.000 0.446 390 V N 0.322 120.163 119.914 -0.120 0.000 2.324 390 V HA -0.266 3.855 4.120 0.002 0.000 0.250 390 V C 2.787 178.857 176.094 -0.040 0.000 1.060 390 V CA 2.436 64.690 62.300 -0.077 0.000 1.042 390 V CB -0.972 30.854 31.823 0.004 0.000 0.650 390 V HN 0.538 nan 8.190 nan 0.000 0.450 391 S N -0.757 114.878 115.700 -0.109 0.000 2.370 391 S HA -0.259 4.212 4.470 0.002 0.000 0.226 391 S C 2.045 176.758 174.600 0.188 0.000 1.033 391 S CA 1.950 60.168 58.200 0.030 0.000 1.011 391 S CB -0.305 62.905 63.200 0.017 0.000 0.852 391 S HN 0.518 nan 8.310 nan 0.000 0.457 392 K N 1.340 121.786 120.400 0.076 0.000 2.057 392 K HA 0.057 4.378 4.320 0.002 0.000 0.207 392 K C 1.825 178.450 176.600 0.042 0.000 1.049 392 K CA 1.110 57.440 56.287 0.071 0.000 0.931 392 K CB -0.397 32.083 32.500 -0.033 0.000 0.714 392 K HN 0.310 nan 8.250 nan 0.000 0.440 393 I N 0.269 120.789 120.570 -0.083 0.000 2.099 393 I HA -0.327 3.844 4.170 0.002 0.000 0.239 393 I C 2.294 178.375 176.117 -0.059 0.000 1.066 393 I CA 1.425 62.635 61.300 -0.150 0.000 1.324 393 I CB -0.656 37.190 38.000 -0.258 0.000 1.037 393 I HN 0.250 nan 8.210 nan 0.000 0.401 394 A N 0.227 123.031 122.820 -0.028 0.000 1.903 394 A HA -0.268 4.053 4.320 0.002 0.000 0.219 394 A C 1.957 179.412 177.584 -0.215 0.000 1.191 394 A CA 1.970 53.934 52.037 -0.123 0.000 0.638 394 A CB -1.277 17.696 19.000 -0.044 0.000 0.823 394 A HN 0.611 nan 8.150 nan 0.000 0.451 395 W N -1.909 119.380 121.300 -0.019 0.000 2.905 395 W HA 0.094 4.755 4.660 0.002 0.000 0.251 395 W C 2.096 178.578 176.519 -0.062 0.000 1.305 395 W CA 0.805 58.130 57.345 -0.034 0.000 1.465 395 W CB -0.188 29.256 29.460 -0.026 0.000 1.122 395 W HN 0.645 nan 8.180 nan 0.000 0.659 396 H N -0.411 118.666 119.070 0.012 0.000 2.261 396 H HA -0.176 4.381 4.556 0.002 0.000 0.301 396 H C 2.178 177.380 175.328 -0.211 0.000 1.067 396 H CA 2.861 58.837 56.048 -0.121 0.000 1.297 396 H CB -0.428 29.188 29.762 -0.243 0.000 1.377 396 H HN -0.172 nan 8.280 nan 0.000 0.492 397 V N 0.640 120.435 119.914 -0.199 0.000 2.250 397 V HA -0.318 3.803 4.120 0.002 0.000 0.250 397 V C 2.568 178.560 176.094 -0.169 0.000 1.060 397 V CA 2.251 64.404 62.300 -0.246 0.000 1.030 397 V CB -0.677 31.034 31.823 -0.187 0.000 0.643 397 V HN 0.427 nan 8.190 nan 0.000 0.445 398 I N -0.505 119.943 120.570 -0.202 0.000 2.208 398 I HA -0.284 3.887 4.170 0.002 0.000 0.245 398 I C 2.691 178.758 176.117 -0.084 0.000 1.097 398 I CA 2.115 63.300 61.300 -0.193 0.000 1.363 398 I CB -0.396 37.382 38.000 -0.369 0.000 1.051 398 I HN 0.261 nan 8.210 nan 0.000 0.413 399 R N 0.694 121.159 120.500 -0.058 0.000 2.055 399 R HA -0.112 4.229 4.340 0.002 0.000 0.228 399 R C 2.115 178.359 176.300 -0.094 0.000 1.143 399 R CA 1.582 57.652 56.100 -0.050 0.000 0.945 399 R CB -0.189 30.074 30.300 -0.063 0.000 0.841 399 R HN 0.278 nan 8.270 nan 0.000 0.429 400 N N 0.391 118.979 118.700 -0.188 0.000 2.376 400 N HA -0.017 4.724 4.740 0.002 0.000 0.177 400 N C 0.582 176.096 175.510 0.006 0.000 1.024 400 N CA 0.442 53.410 53.050 -0.137 0.000 0.893 400 N CB 0.121 38.431 38.487 -0.294 0.000 0.980 400 N HN -0.002 nan 8.380 nan 0.000 0.439 401 V N 0.000 119.929 119.914 0.024 0.000 2.409 401 V HA 0.000 4.121 4.120 0.002 0.000 0.244 401 V CA 0.000 62.355 62.300 0.092 0.000 1.235 401 V CB 0.000 31.878 31.823 0.092 0.000 1.184 401 V HN 0.000 nan 8.190 nan 0.000 0.556