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 3d66_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 0.000 177.550 177.584 -0.056 0.000 1.274 1 A CA 0.000 52.039 52.037 0.004 0.000 0.836 1 A CB 0.000 19.084 19.000 0.140 0.000 0.831 2 Q N -0.898 118.914 119.800 0.020 0.000 2.620 2 Q HA 0.355 4.695 4.340 0.000 0.000 0.232 2 Q C 0.134 176.156 176.000 0.036 0.000 0.836 2 Q CA 0.813 56.617 55.803 0.002 0.000 0.938 2 Q CB 1.281 30.028 28.738 0.015 0.000 1.242 2 Q HN 0.846 nan 8.270 nan 0.000 0.624 3 S N -1.099 114.675 115.700 0.123 0.000 2.536 3 S HA 0.854 5.325 4.470 0.000 0.000 0.271 3 S C -0.233 174.502 174.600 0.226 0.000 1.134 3 S CA -0.117 58.166 58.200 0.138 0.000 0.897 3 S CB 2.211 65.451 63.200 0.067 0.000 1.094 3 S HN 0.381 nan 8.310 nan 0.000 0.473 4 G N 1.715 110.652 108.800 0.230 0.000 2.512 4 G HA2 0.471 4.431 3.960 0.000 0.000 0.181 4 G HA3 0.471 4.431 3.960 0.000 0.000 0.181 4 G C -2.068 172.883 174.900 0.084 0.000 1.173 4 G CA -0.580 44.591 45.100 0.120 0.000 0.988 4 G HN 0.833 nan 8.290 nan 0.000 0.485 5 Q N -1.404 118.381 119.800 -0.025 0.000 2.534 5 Q HA 0.610 4.950 4.340 0.000 0.000 0.290 5 Q C -1.683 174.218 176.000 -0.165 0.000 0.991 5 Q CA -0.827 54.924 55.803 -0.087 0.000 0.783 5 Q CB 3.308 31.944 28.738 -0.170 0.000 1.470 5 Q HN 0.428 nan 8.270 nan 0.000 0.406 6 V N 2.492 122.234 119.914 -0.287 0.000 2.409 6 V HA 0.517 4.637 4.120 0.000 0.000 0.291 6 V C -0.679 175.077 176.094 -0.562 0.000 1.020 6 V CA -0.517 61.461 62.300 -0.536 0.000 0.848 6 V CB 1.278 32.635 31.823 -0.777 0.000 0.990 6 V HN 0.505 nan 8.190 nan 0.000 0.430 7 L N 3.828 124.582 121.223 -0.783 0.000 2.342 7 L HA 0.912 5.252 4.340 0.000 0.000 0.271 7 L C 0.203 176.695 176.870 -0.630 0.000 1.008 7 L CA -0.757 53.665 54.840 -0.696 0.000 0.818 7 L CB 1.993 43.593 42.059 -0.764 0.000 1.296 7 L HN 0.668 nan 8.230 nan 0.000 0.427 8 A N 1.563 124.203 122.820 -0.299 0.000 2.312 8 A HA 0.917 5.237 4.320 0.000 0.000 0.328 8 A C -0.458 177.147 177.584 0.035 0.000 1.158 8 A CA -0.319 51.697 52.037 -0.036 0.000 0.821 8 A CB 1.420 20.430 19.000 0.016 0.000 1.170 8 A HN 0.826 nan 8.150 nan 0.000 0.490 9 A N 0.935 123.853 122.820 0.163 0.000 2.454 9 A HA 0.757 5.077 4.320 0.000 0.000 0.302 9 A C -1.135 176.509 177.584 0.100 0.000 1.079 9 A CA -0.396 51.732 52.037 0.150 0.000 0.731 9 A CB 1.269 20.418 19.000 0.248 0.000 1.299 9 A HN 1.214 nan 8.150 nan 0.000 0.413 10 L N 2.787 124.047 121.223 0.062 0.000 2.480 10 L HA 0.353 4.693 4.340 0.000 0.000 0.253 10 L C -2.468 174.416 176.870 0.023 0.000 1.324 10 L CA -1.878 52.984 54.840 0.037 0.000 0.916 10 L CB 1.969 44.045 42.059 0.028 0.000 1.160 10 L HN 0.518 nan 8.230 nan 0.000 0.503 11 P HA 0.171 nan 4.420 nan 0.000 0.271 11 P C -0.367 176.933 177.300 0.000 0.000 1.218 11 P CA -0.159 62.946 63.100 0.007 0.000 0.780 11 P CB 1.255 32.954 31.700 -0.002 0.000 0.901 12 R N 0.002 120.501 120.500 -0.001 0.000 2.453 12 R HA 0.213 4.553 4.340 0.000 0.000 0.233 12 R C 0.227 176.524 176.300 -0.006 0.000 0.895 12 R CA 0.306 56.404 56.100 -0.003 0.000 1.028 12 R CB 0.608 30.907 30.300 -0.001 0.000 1.255 12 R HN 0.491 nan 8.270 nan 0.000 0.571 13 T N -0.942 113.608 114.554 -0.007 0.000 2.887 13 T HA 0.173 4.524 4.350 0.000 0.000 0.292 13 T C 0.963 175.655 174.700 -0.013 0.000 1.087 13 T CA -0.682 61.412 62.100 -0.009 0.000 1.009 13 T CB 2.019 70.882 68.868 -0.008 0.000 1.203 13 T HN -0.134 nan 8.240 nan 0.000 0.518 14 S N 0.903 116.595 115.700 -0.014 0.000 2.408 14 S HA -0.297 4.173 4.470 0.000 0.000 0.241 14 S C 2.045 176.635 174.600 -0.017 0.000 1.080 14 S CA 1.733 59.923 58.200 -0.017 0.000 1.109 14 S CB -0.397 62.794 63.200 -0.016 0.000 0.966 14 S HN 0.586 nan 8.310 nan 0.000 0.449 15 R N 1.007 121.499 120.500 -0.013 0.000 2.073 15 R HA -0.076 4.264 4.340 0.000 0.000 0.234 15 R C 2.805 179.099 176.300 -0.009 0.000 1.134 15 R CA 1.577 57.671 56.100 -0.010 0.000 0.952 15 R CB -0.365 29.931 30.300 -0.006 0.000 0.850 15 R HN 0.586 nan 8.270 nan 0.000 0.433 16 Q N 0.158 119.954 119.800 -0.007 0.000 2.079 16 Q HA -0.105 4.236 4.340 0.000 0.000 0.200 16 Q C 2.294 178.284 176.000 -0.016 0.000 0.974 16 Q CA 1.377 57.177 55.803 -0.005 0.000 0.840 16 Q CB -0.123 28.615 28.738 -0.000 0.000 0.898 16 Q HN 0.168 nan 8.270 nan 0.000 0.430 17 V N 1.330 121.231 119.914 -0.021 0.000 2.282 17 V HA -0.320 3.800 4.120 0.000 0.000 0.249 17 V C 2.300 178.368 176.094 -0.043 0.000 1.057 17 V CA 2.199 64.479 62.300 -0.034 0.000 1.032 17 V CB -0.567 31.236 31.823 -0.034 0.000 0.645 17 V HN 0.415 nan 8.190 nan 0.000 0.447 18 Q N -0.878 118.901 119.800 -0.035 0.000 2.230 18 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 18 Q C 2.170 178.146 176.000 -0.039 0.000 0.963 18 Q CA 1.212 56.993 55.803 -0.038 0.000 0.866 18 Q CB 0.106 28.826 28.738 -0.029 0.000 0.931 18 Q HN 0.560 nan 8.270 nan 0.000 0.452 19 V N 0.656 120.554 119.914 -0.027 0.000 2.270 19 V HA -0.274 3.846 4.120 0.000 0.000 0.245 19 V C 2.235 178.299 176.094 -0.051 0.000 1.043 19 V CA 1.440 63.731 62.300 -0.015 0.000 1.014 19 V CB -0.464 31.369 31.823 0.016 0.000 0.645 19 V HN 0.407 nan 8.190 nan 0.000 0.447 20 L N -0.496 120.684 121.223 -0.071 0.000 2.013 20 L HA -0.314 4.027 4.340 0.000 0.000 0.212 20 L C 2.721 179.491 176.870 -0.166 0.000 1.073 20 L CA 1.897 56.652 54.840 -0.142 0.000 0.753 20 L CB -0.605 41.375 42.059 -0.131 0.000 0.890 20 L HN 0.416 nan 8.230 nan 0.000 0.432 21 Q N -0.421 119.308 119.800 -0.119 0.000 2.061 21 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 21 Q C 2.033 177.967 176.000 -0.111 0.000 0.984 21 Q CA 1.813 57.549 55.803 -0.113 0.000 0.846 21 Q CB -0.167 28.520 28.738 -0.086 0.000 0.902 21 Q HN 0.457 nan 8.270 nan 0.000 0.421 22 N N 0.488 119.132 118.700 -0.094 0.000 2.166 22 N HA -0.128 4.613 4.740 0.000 0.000 0.186 22 N C 1.666 177.102 175.510 -0.123 0.000 1.019 22 N CA 0.874 53.866 53.050 -0.096 0.000 0.856 22 N CB -0.248 38.197 38.487 -0.071 0.000 0.993 22 N HN 0.156 nan 8.380 nan 0.000 0.426 23 L N 0.370 121.521 121.223 -0.120 0.000 2.013 23 L HA -0.257 4.084 4.340 0.000 0.000 0.212 23 L C 2.492 179.309 176.870 -0.087 0.000 1.073 23 L CA 1.881 56.668 54.840 -0.089 0.000 0.753 23 L CB -1.081 40.895 42.059 -0.138 0.000 0.890 23 L HN 0.399 nan 8.230 nan 0.000 0.432 24 T N -4.714 109.751 114.554 -0.148 0.000 2.788 24 T HA -0.198 4.152 4.350 0.000 0.000 0.268 24 T C 1.779 176.426 174.700 -0.089 0.000 1.044 24 T CA 1.808 63.835 62.100 -0.122 0.000 1.139 24 T CB -0.725 68.060 68.868 -0.139 0.000 0.867 24 T HN 0.241 nan 8.240 nan 0.000 0.454 25 T N 1.845 116.334 114.554 -0.108 0.000 2.674 25 T HA -0.101 4.249 4.350 0.000 0.000 0.265 25 T C 2.236 176.844 174.700 -0.154 0.000 1.039 25 T CA 2.005 64.038 62.100 -0.113 0.000 1.150 25 T CB -1.003 67.797 68.868 -0.114 0.000 0.864 25 T HN 0.525 nan 8.240 nan 0.000 0.427 26 T N 0.656 115.067 114.554 -0.239 0.000 2.614 26 T HA -0.009 4.341 4.350 0.000 0.000 0.263 26 T C 0.569 174.987 174.700 -0.470 0.000 1.055 26 T CA 1.207 63.040 62.100 -0.445 0.000 1.162 26 T CB -0.304 68.091 68.868 -0.789 0.000 0.863 26 T HN 0.287 nan 8.240 nan 0.000 0.414 27 Y N 0.930 121.160 120.300 -0.117 0.000 2.480 27 Y HA 0.400 4.950 4.550 0.000 0.000 0.323 27 Y C 0.630 176.488 175.900 -0.070 0.000 1.267 27 Y CA -1.324 56.718 58.100 -0.096 0.000 1.336 27 Y CB 0.437 38.825 38.460 -0.121 0.000 1.361 27 Y HN 0.027 nan 8.280 nan 0.000 0.518 28 E N 1.659 121.941 120.200 0.137 0.000 1.791 28 E HA 0.256 4.606 4.350 0.000 0.000 0.263 28 E C -1.122 175.497 176.600 0.031 0.000 1.213 28 E CA 0.195 56.637 56.400 0.071 0.000 0.991 28 E CB -0.301 29.434 29.700 0.058 0.000 1.068 28 E HN 0.311 nan 8.360 nan 0.000 0.417 29 I N 2.409 123.013 120.570 0.057 0.000 2.509 29 I HA 0.277 4.447 4.170 0.000 0.000 0.293 29 I C -0.673 175.535 176.117 0.152 0.000 1.020 29 I CA -1.104 60.237 61.300 0.068 0.000 1.088 29 I CB 2.061 40.067 38.000 0.010 0.000 1.267 29 I HN 0.071 nan 8.210 nan 0.000 0.430 30 V N 6.979 127.066 119.914 0.289 0.000 2.334 30 V HA 0.348 4.468 4.120 0.000 0.000 0.281 30 V C 0.208 176.554 176.094 0.420 0.000 1.016 30 V CA -0.569 61.945 62.300 0.357 0.000 0.832 30 V CB 1.539 33.653 31.823 0.484 0.000 0.999 30 V HN 0.503 nan 8.190 nan 0.000 0.439 31 L N 3.660 125.071 121.223 0.314 0.000 2.456 31 L HA 0.113 4.453 4.340 0.000 0.000 0.272 31 L C 0.495 177.720 176.870 0.592 0.000 1.189 31 L CA 0.373 55.430 54.840 0.362 0.000 0.846 31 L CB 0.892 43.054 42.059 0.173 0.000 1.111 31 L HN 0.724 nan 8.230 nan 0.000 0.475 32 W N 0.283 121.773 121.300 0.317 0.000 2.780 32 W HA 0.159 4.820 4.660 0.000 0.000 0.272 32 W C 0.554 177.204 176.519 0.218 0.000 1.116 32 W CA 0.017 57.605 57.345 0.405 0.000 1.600 32 W CB 0.290 30.031 29.460 0.467 0.000 1.086 32 W HN 0.374 nan 8.180 nan 0.000 0.584 33 Q N 1.055 121.088 119.800 0.389 0.000 2.275 33 Q HA 0.250 4.591 4.340 0.000 0.000 0.258 33 Q C -2.714 173.286 176.000 -0.002 0.000 0.960 33 Q CA -1.890 53.959 55.803 0.077 0.000 0.801 33 Q CB 2.824 31.547 28.738 -0.025 0.000 1.302 33 Q HN -0.250 nan 8.270 nan 0.000 0.433 34 P HA 0.091 nan 4.420 nan 0.000 0.289 34 P C 0.717 177.960 177.300 -0.095 0.000 1.299 34 P CA -0.386 62.632 63.100 -0.137 0.000 0.766 34 P CB 0.696 32.261 31.700 -0.225 0.000 1.226 35 V N -2.053 117.741 119.914 -0.200 0.000 2.358 35 V HA -0.074 4.046 4.120 0.000 0.000 0.246 35 V C 1.335 177.368 176.094 -0.101 0.000 1.047 35 V CA 2.323 64.541 62.300 -0.138 0.000 1.035 35 V CB -1.796 29.906 31.823 -0.203 0.000 0.658 35 V HN 0.779 nan 8.190 nan 0.000 0.452 36 T N -3.927 110.541 114.554 -0.142 0.000 2.906 36 T HA 0.754 5.104 4.350 0.000 0.000 0.295 36 T C 0.762 175.397 174.700 -0.108 0.000 1.075 36 T CA -0.087 61.950 62.100 -0.106 0.000 1.005 36 T CB 2.149 70.951 68.868 -0.109 0.000 1.136 36 T HN 0.135 nan 8.240 nan 0.000 0.498 37 A N 0.875 123.641 122.820 -0.091 0.000 1.940 37 A HA -0.077 4.243 4.320 0.000 0.000 0.219 37 A C 1.879 179.405 177.584 -0.097 0.000 1.176 37 A CA 2.370 54.349 52.037 -0.097 0.000 0.631 37 A CB -1.486 17.456 19.000 -0.095 0.000 0.814 37 A HN 1.106 nan 8.150 nan 0.000 0.446 38 D N -0.180 120.164 120.400 -0.094 0.000 2.263 38 D HA -0.216 4.424 4.640 0.000 0.000 0.193 38 D C 1.258 177.498 176.300 -0.100 0.000 1.013 38 D CA 1.776 55.722 54.000 -0.090 0.000 0.892 38 D CB -0.249 40.497 40.800 -0.090 0.000 0.909 38 D HN 0.451 nan 8.370 nan 0.000 0.449 39 L N 0.049 121.194 121.223 -0.129 0.000 2.700 39 L HA 0.289 4.629 4.340 0.000 0.000 0.234 39 L C 0.119 176.917 176.870 -0.119 0.000 1.156 39 L CA -0.442 54.311 54.840 -0.144 0.000 0.946 39 L CB 0.178 42.093 42.059 -0.240 0.000 1.216 39 L HN 0.076 nan 8.230 nan 0.000 0.493 40 I N 1.812 122.323 120.570 -0.098 0.000 2.421 40 I HA 0.055 4.225 4.170 0.000 0.000 0.291 40 I C 0.220 176.299 176.117 -0.064 0.000 1.089 40 I CA -0.154 61.098 61.300 -0.080 0.000 1.354 40 I CB 0.602 38.556 38.000 -0.077 0.000 1.413 40 I HN -0.094 nan 8.210 nan 0.000 0.513 41 V N 3.791 123.670 119.914 -0.057 0.000 2.732 41 V HA 0.438 4.558 4.120 0.000 0.000 0.310 41 V C 1.019 177.093 176.094 -0.034 0.000 1.053 41 V CA -0.821 61.453 62.300 -0.044 0.000 0.957 41 V CB 1.772 33.570 31.823 -0.042 0.000 1.018 41 V HN 0.695 nan 8.190 nan 0.000 0.452 42 K N 1.483 121.867 120.400 -0.027 0.000 1.981 42 K HA -0.210 4.110 4.320 0.000 0.000 0.228 42 K C 1.737 178.328 176.600 -0.015 0.000 1.050 42 K CA 2.691 58.967 56.287 -0.020 0.000 1.001 42 K CB -0.333 32.157 32.500 -0.016 0.000 0.738 42 K HN 0.734 nan 8.250 nan 0.000 0.447 43 K N 0.979 121.371 120.400 -0.014 0.000 2.574 43 K HA -0.017 4.303 4.320 0.000 0.000 0.193 43 K C 0.222 176.816 176.600 -0.010 0.000 1.035 43 K CA 0.545 56.827 56.287 -0.009 0.000 0.982 43 K CB 0.154 32.649 32.500 -0.008 0.000 0.795 43 K HN 0.076 nan 8.250 nan 0.000 0.491 44 K N 1.311 121.700 120.400 -0.018 0.000 2.098 44 K HA 0.136 4.456 4.320 0.000 0.000 0.261 44 K C -0.300 176.284 176.600 -0.027 0.000 0.987 44 K CA -0.377 55.894 56.287 -0.026 0.000 0.916 44 K CB 1.384 33.859 32.500 -0.041 0.000 1.039 44 K HN -0.007 nan 8.250 nan 0.000 0.455 45 Q N 1.566 121.343 119.800 -0.039 0.000 2.294 45 Q HA 0.230 4.570 4.340 0.000 0.000 0.257 45 Q C -1.016 174.913 176.000 -0.117 0.000 0.955 45 Q CA -0.470 55.314 55.803 -0.033 0.000 0.936 45 Q CB 0.934 29.674 28.738 0.003 0.000 1.188 45 Q HN 0.232 nan 8.270 nan 0.000 0.420 46 V N 5.018 124.932 119.914 0.001 0.000 2.394 46 V HA 0.314 4.434 4.120 0.000 0.000 0.282 46 V C -0.607 175.630 176.094 0.238 0.000 1.031 46 V CA -0.576 61.755 62.300 0.051 0.000 0.881 46 V CB 1.154 33.049 31.823 0.121 0.000 0.982 46 V HN 0.829 nan 8.190 nan 0.000 0.451 47 H N 5.194 124.408 119.070 0.240 0.000 2.469 47 H HA 0.771 5.327 4.556 0.000 0.000 0.342 47 H C -0.830 174.681 175.328 0.304 0.000 1.115 47 H CA -0.658 55.496 56.048 0.176 0.000 1.204 47 H CB 1.796 31.695 29.762 0.228 0.000 1.492 47 H HN 0.672 nan 8.280 nan 0.000 0.499 48 F N 0.414 120.356 119.950 -0.014 0.000 2.703 48 F HA 0.342 4.869 4.527 0.000 0.000 0.308 48 F C -2.037 173.589 175.800 -0.291 0.000 1.126 48 F CA -1.599 56.336 58.000 -0.109 0.000 0.959 48 F CB 0.751 39.746 39.000 -0.008 0.000 1.297 48 F HN 0.384 nan 8.300 nan 0.000 0.441 49 F N 2.946 122.732 119.950 -0.273 0.000 2.399 49 F HA 0.809 5.336 4.527 0.000 0.000 0.334 49 F C -1.391 174.412 175.800 0.005 0.000 1.097 49 F CA -1.072 56.757 58.000 -0.285 0.000 1.076 49 F CB 1.588 40.479 39.000 -0.182 0.000 1.162 49 F HN 0.431 nan 8.300 nan 0.000 0.495 50 V N 5.655 124.969 119.914 -1.000 0.000 2.407 50 V HA 0.208 4.328 4.120 0.000 0.000 0.291 50 V C -0.201 175.247 176.094 -1.077 0.000 1.018 50 V CA -1.155 60.675 62.300 -0.783 0.000 0.842 50 V CB 1.160 32.779 31.823 -0.341 0.000 0.996 50 V HN 0.864 nan 8.190 nan 0.000 0.426 51 N N 3.238 121.434 118.700 -0.839 0.000 2.292 51 N HA 0.081 4.822 4.740 0.000 0.000 0.242 51 N C 1.317 176.700 175.510 -0.211 0.000 1.243 51 N CA 0.901 53.727 53.050 -0.373 0.000 0.851 51 N CB 1.196 39.629 38.487 -0.090 0.000 1.093 51 N HN 0.808 nan 8.380 nan 0.000 0.450 52 A N 2.424 125.201 122.820 -0.073 0.000 1.849 52 A HA -0.261 4.059 4.320 0.000 0.000 0.217 52 A C 2.242 179.792 177.584 -0.057 0.000 1.202 52 A CA 2.677 54.684 52.037 -0.050 0.000 0.629 52 A CB -1.655 17.346 19.000 0.002 0.000 0.834 52 A HN 0.904 nan 8.150 nan 0.000 0.447 53 S N 0.081 115.764 115.700 -0.029 0.000 2.399 53 S HA -0.272 4.198 4.470 0.000 0.000 0.235 53 S C 1.103 175.681 174.600 -0.036 0.000 1.063 53 S CA 1.919 60.109 58.200 -0.017 0.000 1.070 53 S CB -0.635 62.571 63.200 0.009 0.000 0.904 53 S HN 0.608 nan 8.310 nan 0.000 0.456 54 D N 0.326 120.684 120.400 -0.071 0.000 2.369 54 D HA 0.290 4.930 4.640 0.000 0.000 0.211 54 D C 1.779 177.950 176.300 -0.216 0.000 1.077 54 D CA 0.112 54.037 54.000 -0.125 0.000 0.842 54 D CB 0.267 41.013 40.800 -0.090 0.000 0.947 54 D HN 0.336 nan 8.370 nan 0.000 0.509 55 V N 1.468 121.281 119.914 -0.169 0.000 2.252 55 V HA -0.253 3.867 4.120 0.000 0.000 0.249 55 V C 1.924 177.926 176.094 -0.152 0.000 1.056 55 V CA 1.798 63.996 62.300 -0.170 0.000 1.022 55 V CB -0.271 31.469 31.823 -0.140 0.000 0.641 55 V HN 0.107 nan 8.190 nan 0.000 0.445 56 D N -0.109 120.220 120.400 -0.118 0.000 2.144 56 D HA -0.108 4.532 4.640 0.000 0.000 0.200 56 D C 2.098 178.339 176.300 -0.097 0.000 0.978 56 D CA 1.033 54.978 54.000 -0.090 0.000 0.833 56 D CB -0.432 40.332 40.800 -0.060 0.000 0.961 56 D HN 0.517 nan 8.370 nan 0.000 0.470 57 N N 0.620 119.237 118.700 -0.139 0.000 2.084 57 N HA -0.105 4.635 4.740 0.000 0.000 0.190 57 N C 2.082 177.479 175.510 -0.188 0.000 1.030 57 N CA 0.822 53.790 53.050 -0.136 0.000 0.849 57 N CB -0.160 38.209 38.487 -0.197 0.000 1.012 57 N HN 0.086 nan 8.380 nan 0.000 0.423 58 V N 1.947 121.624 119.914 -0.395 0.000 2.343 58 V HA -0.200 3.920 4.120 0.000 0.000 0.247 58 V C 2.231 178.276 176.094 -0.081 0.000 1.051 58 V CA 1.568 63.659 62.300 -0.348 0.000 1.036 58 V CB -0.462 31.172 31.823 -0.315 0.000 0.654 58 V HN 0.262 nan 8.190 nan 0.000 0.451 59 K N 0.356 120.711 120.400 -0.076 0.000 2.097 59 K HA -0.086 4.234 4.320 0.000 0.000 0.206 59 K C 2.347 178.942 176.600 -0.009 0.000 1.049 59 K CA 1.360 57.627 56.287 -0.034 0.000 0.933 59 K CB -0.458 32.007 32.500 -0.058 0.000 0.717 59 K HN 0.466 nan 8.250 nan 0.000 0.442 60 A N 1.423 124.235 122.820 -0.013 0.000 1.883 60 A HA -0.237 4.083 4.320 0.000 0.000 0.217 60 A C 1.913 179.491 177.584 -0.011 0.000 1.186 60 A CA 1.533 53.561 52.037 -0.016 0.000 0.624 60 A CB -0.852 18.135 19.000 -0.021 0.000 0.822 60 A HN 0.325 nan 8.150 nan 0.000 0.444 61 H N -0.487 118.561 119.070 -0.036 0.000 2.352 61 H HA -0.069 4.487 4.556 0.000 0.000 0.299 61 H C 2.102 177.429 175.328 -0.002 0.000 1.097 61 H CA 1.807 57.853 56.048 -0.002 0.000 1.311 61 H CB -0.162 29.614 29.762 0.024 0.000 1.377 61 H HN 0.402 nan 8.280 nan 0.000 0.504 62 L N 0.391 121.687 121.223 0.122 0.000 2.093 62 L HA -0.166 4.174 4.340 0.000 0.000 0.208 62 L C 2.462 179.353 176.870 0.035 0.000 1.085 62 L CA 0.857 55.742 54.840 0.075 0.000 0.755 62 L CB -0.402 41.702 42.059 0.074 0.000 0.904 62 L HN 0.225 nan 8.230 nan 0.000 0.435 63 N N 0.386 119.095 118.700 0.016 0.000 2.084 63 N HA -0.151 4.589 4.740 0.000 0.000 0.190 63 N C 1.747 177.250 175.510 -0.012 0.000 1.030 63 N CA 1.300 54.347 53.050 -0.004 0.000 0.849 63 N CB -0.196 38.281 38.487 -0.016 0.000 1.012 63 N HN 0.011 nan 8.380 nan 0.000 0.423 64 V N -0.067 119.832 119.914 -0.025 0.000 2.407 64 V HA -0.126 3.994 4.120 0.000 0.000 0.248 64 V C 1.740 177.821 176.094 -0.021 0.000 1.055 64 V CA 1.782 64.056 62.300 -0.042 0.000 1.049 64 V CB -0.481 31.284 31.823 -0.098 0.000 0.662 64 V HN 0.311 nan 8.190 nan 0.000 0.455 65 S N -0.487 115.214 115.700 0.001 0.000 2.575 65 S HA 0.306 4.776 4.470 0.000 0.000 0.215 65 S C 1.446 176.051 174.600 0.009 0.000 0.966 65 S CA 0.620 58.827 58.200 0.012 0.000 0.911 65 S CB 0.391 63.613 63.200 0.037 0.000 0.780 65 S HN 0.898 nan 8.310 nan 0.000 0.514 66 G N 2.077 110.880 108.800 0.005 0.000 2.246 66 G HA2 -0.256 3.704 3.960 0.000 0.000 0.273 66 G HA3 -0.256 3.704 3.960 0.000 0.000 0.273 66 G C -0.132 174.773 174.900 0.008 0.000 1.055 66 G CA -0.087 45.015 45.100 0.003 0.000 0.851 66 G HN 0.541 nan 8.290 nan 0.000 0.500 67 I N 1.648 122.228 120.570 0.017 0.000 2.321 67 I HA 0.342 4.512 4.170 0.000 0.000 0.291 67 I C -1.395 174.735 176.117 0.022 0.000 0.998 67 I CA -2.511 58.803 61.300 0.023 0.000 1.227 67 I CB 1.504 39.525 38.000 0.036 0.000 1.368 67 I HN -0.058 nan 8.210 nan 0.000 0.466 68 P HA 0.066 nan 4.420 nan 0.000 0.272 68 P C -0.768 176.542 177.300 0.017 0.000 1.230 68 P CA -0.316 62.790 63.100 0.010 0.000 0.788 68 P CB 1.235 32.939 31.700 0.006 0.000 0.949 69 C N 1.972 121.271 119.300 -0.001 0.000 3.072 69 C HA 0.381 4.841 4.460 0.000 0.000 0.400 69 C C -0.528 174.433 174.990 -0.049 0.000 1.075 69 C CA -0.129 58.883 59.018 -0.011 0.000 1.272 69 C CB -0.400 27.343 27.740 0.005 0.000 1.670 69 C HN 0.738 nan 8.230 nan 0.000 0.516 70 S N 4.020 119.676 115.700 -0.073 0.000 2.638 70 S HA 0.833 5.303 4.470 0.000 0.000 0.298 70 S C -0.604 173.900 174.600 -0.159 0.000 1.111 70 S CA -0.705 57.434 58.200 -0.102 0.000 1.027 70 S CB 1.683 64.826 63.200 -0.094 0.000 1.064 70 S HN 0.895 nan 8.310 nan 0.000 0.525 71 V N 2.999 122.816 119.914 -0.161 0.000 2.432 71 V HA 0.180 4.300 4.120 0.000 0.000 0.271 71 V C 0.488 176.452 176.094 -0.218 0.000 1.046 71 V CA -0.376 61.803 62.300 -0.201 0.000 0.945 71 V CB 0.782 32.507 31.823 -0.164 0.000 0.992 71 V HN 0.842 nan 8.190 nan 0.000 0.471 72 L N 5.760 126.814 121.223 -0.282 0.000 2.168 72 L HA 0.303 4.643 4.340 0.000 0.000 0.203 72 L C 0.434 177.132 176.870 -0.288 0.000 1.078 72 L CA 1.471 56.126 54.840 -0.308 0.000 0.780 72 L CB -0.112 41.710 42.059 -0.396 0.000 0.939 72 L HN 0.439 nan 8.230 nan 0.000 0.451 73 L N -1.665 119.400 121.223 -0.264 0.000 2.441 73 L HA 0.451 4.791 4.340 0.000 0.000 0.270 73 L C 0.574 177.358 176.870 -0.144 0.000 0.973 73 L CA -0.263 54.464 54.840 -0.188 0.000 0.842 73 L CB 1.763 43.732 42.059 -0.150 0.000 1.239 73 L HN -0.122 nan 8.230 nan 0.000 0.406 74 A N 1.261 124.018 122.820 -0.105 0.000 2.081 74 A HA 0.051 4.371 4.320 0.000 0.000 0.214 74 A C 0.526 178.080 177.584 -0.051 0.000 1.158 74 A CA 0.794 52.780 52.037 -0.085 0.000 0.724 74 A CB 0.000 18.956 19.000 -0.074 0.000 0.826 74 A HN 0.679 nan 8.150 nan 0.000 0.463 75 D N -0.621 119.762 120.400 -0.029 0.000 2.429 75 D HA 0.299 4.939 4.640 0.000 0.000 0.255 75 D C 0.765 177.071 176.300 0.010 0.000 1.257 75 D CA -0.253 53.745 54.000 -0.004 0.000 0.890 75 D CB 0.800 41.598 40.800 -0.002 0.000 1.267 75 D HN -0.124 nan 8.370 nan 0.000 0.521 76 V N 2.467 122.396 119.914 0.025 0.000 2.282 76 V HA -0.228 3.892 4.120 0.000 0.000 0.249 76 V C 2.372 178.462 176.094 -0.007 0.000 1.057 76 V CA 2.298 64.610 62.300 0.020 0.000 1.032 76 V CB -0.330 31.526 31.823 0.056 0.000 0.645 76 V HN 0.615 nan 8.190 nan 0.000 0.447 77 E N -0.398 119.808 120.200 0.010 0.000 2.130 77 E HA -0.317 4.033 4.350 0.000 0.000 0.196 77 E C 2.046 178.637 176.600 -0.015 0.000 0.998 77 E CA 1.754 58.150 56.400 -0.006 0.000 0.806 77 E CB -0.217 29.489 29.700 0.011 0.000 0.738 77 E HN 0.713 nan 8.360 nan 0.000 0.459 78 D N 0.227 120.626 120.400 -0.003 0.000 2.077 78 D HA -0.156 4.484 4.640 0.000 0.000 0.196 78 D C 2.329 178.626 176.300 -0.005 0.000 0.986 78 D CA 0.959 54.960 54.000 0.001 0.000 0.829 78 D CB -0.111 40.696 40.800 0.012 0.000 0.983 78 D HN 0.249 nan 8.370 nan 0.000 0.453 79 L N 0.875 122.099 121.223 0.000 0.000 2.021 79 L HA -0.244 4.096 4.340 0.000 0.000 0.215 79 L C 2.705 179.536 176.870 -0.065 0.000 1.074 79 L CA 1.039 55.876 54.840 -0.005 0.000 0.760 79 L CB -0.332 41.741 42.059 0.023 0.000 0.889 79 L HN 0.161 nan 8.230 nan 0.000 0.433 80 I N -1.208 119.296 120.570 -0.110 0.000 2.264 80 I HA -0.304 3.866 4.170 0.000 0.000 0.248 80 I C 2.655 178.700 176.117 -0.120 0.000 1.111 80 I CA 0.985 62.172 61.300 -0.188 0.000 1.382 80 I CB -0.386 37.494 38.000 -0.199 0.000 1.060 80 I HN 0.380 nan 8.210 nan 0.000 0.418 81 Q N 0.751 120.517 119.800 -0.057 0.000 2.050 81 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 81 Q C 2.234 178.239 176.000 0.009 0.000 0.980 81 Q CA 1.655 57.448 55.803 -0.016 0.000 0.840 81 Q CB -0.410 28.328 28.738 -0.000 0.000 0.898 81 Q HN 0.654 nan 8.270 nan 0.000 0.424 82 Q N 0.262 120.069 119.800 0.011 0.000 2.084 82 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 82 Q C 2.143 178.185 176.000 0.070 0.000 0.978 82 Q CA 0.994 56.819 55.803 0.036 0.000 0.844 82 Q CB -0.200 28.556 28.738 0.030 0.000 0.898 82 Q HN 0.459 nan 8.270 nan 0.000 0.426 83 Q N 0.572 120.404 119.800 0.054 0.000 2.050 83 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 83 Q C 2.113 178.207 176.000 0.157 0.000 0.980 83 Q CA 1.127 57.013 55.803 0.138 0.000 0.840 83 Q CB -0.070 28.647 28.738 -0.035 0.000 0.898 83 Q HN 0.444 nan 8.270 nan 0.000 0.424 84 I N 0.774 121.363 120.570 0.031 0.000 2.676 84 I HA -0.202 3.968 4.170 0.000 0.000 0.259 84 I C 2.489 178.744 176.117 0.229 0.000 1.194 84 I CA 0.771 62.102 61.300 0.053 0.000 1.473 84 I CB -0.197 37.809 38.000 0.011 0.000 1.096 84 I HN 0.216 nan 8.210 nan 0.000 0.443 85 S N 1.025 116.818 115.700 0.155 0.000 2.357 85 S HA -0.130 4.340 4.470 0.000 0.000 0.221 85 S C 1.534 176.217 174.600 0.138 0.000 1.031 85 S CA 1.235 59.514 58.200 0.132 0.000 0.982 85 S CB -0.671 62.580 63.200 0.084 0.000 0.853 85 S HN 0.408 nan 8.310 nan 0.000 0.458 86 N N 2.168 120.953 118.700 0.142 0.000 2.461 86 N HA 0.125 4.866 4.740 0.000 0.000 0.188 86 N C -0.203 175.396 175.510 0.148 0.000 1.134 86 N CA 0.487 53.605 53.050 0.113 0.000 0.878 86 N CB -0.365 38.166 38.487 0.072 0.000 0.972 86 N HN 0.501 nan 8.380 nan 0.000 0.456 87 D N 0.898 121.443 120.400 0.241 0.000 2.520 87 D HA -0.010 4.630 4.640 0.000 0.000 0.243 87 D C 1.028 177.359 176.300 0.052 0.000 1.160 87 D CA 1.033 55.166 54.000 0.223 0.000 0.877 87 D CB 0.165 41.121 40.800 0.260 0.000 1.150 87 D HN 0.225 nan 8.370 nan 0.000 0.494 88 T N 2.033 116.541 114.554 -0.078 0.000 14.202 88 T HA -0.324 4.027 4.350 0.000 0.000 0.419 88 T C 1.247 175.943 174.700 -0.005 0.000 1.441 88 T CA 2.627 64.693 62.100 -0.057 0.000 2.331 88 T CB -1.495 67.356 68.868 -0.028 0.000 2.756 88 T HN 1.008 nan 8.240 nan 0.000 0.221 89 V N -0.219 119.702 119.914 0.012 0.000 0.595 89 V HA -0.310 3.810 4.120 0.000 0.000 0.092 89 V C 1.131 177.237 176.094 0.020 0.000 1.786 89 V CA 3.853 66.166 62.300 0.022 0.000 3.384 89 V CB -2.294 29.550 31.823 0.035 0.000 0.670 89 V HN 2.132 nan 8.190 nan 0.000 0.691 90 S N 2.230 117.951 115.700 0.036 0.000 2.638 90 S HA 0.786 5.257 4.470 0.000 0.000 0.298 90 S C -2.513 172.117 174.600 0.050 0.000 1.111 90 S CA -1.114 57.113 58.200 0.045 0.000 1.027 90 S CB 2.105 65.344 63.200 0.064 0.000 1.064 90 S HN 0.590 nan 8.310 nan 0.000 0.525 91 P HA 0.323 nan 4.420 nan 0.000 0.274 91 P C 0.011 177.156 177.300 -0.257 0.000 1.256 91 P CA -0.623 62.412 63.100 -0.108 0.000 0.795 91 P CB 0.590 32.233 31.700 -0.094 0.000 1.038 92 R N 0.149 120.318 120.500 -0.552 0.000 2.313 92 R HA 0.170 4.510 4.340 0.000 0.000 0.199 92 R C 1.276 176.897 176.300 -1.131 0.000 0.958 92 R CA 0.836 56.267 56.100 -1.115 0.000 1.047 92 R CB -0.445 29.104 30.300 -1.252 0.000 0.955 92 R HN 0.548 nan 8.270 nan 0.000 0.481 93 A N -0.418 122.088 122.820 -0.525 0.000 2.312 93 A HA 0.160 4.480 4.320 0.000 0.000 0.215 93 A C 0.461 178.046 177.584 0.000 0.000 1.256 93 A CA -0.105 51.870 52.037 -0.104 0.000 0.966 93 A CB 0.337 19.470 19.000 0.221 0.000 1.053 93 A HN 0.302 nan 8.150 nan 0.000 0.510 94 S N 0.190 115.861 115.700 -0.048 0.000 2.558 94 S HA 0.333 4.803 4.470 0.000 0.000 0.287 94 S C 1.476 176.176 174.600 0.167 0.000 1.321 94 S CA 0.047 58.282 58.200 0.058 0.000 1.048 94 S CB 0.875 64.100 63.200 0.042 0.000 0.844 94 S HN 1.246 nan 8.310 nan 0.000 0.512 95 A N 2.733 125.644 122.820 0.151 0.000 1.923 95 A HA -0.256 4.064 4.320 0.000 0.000 0.222 95 A C 2.519 180.237 177.584 0.224 0.000 1.258 95 A CA 2.847 54.991 52.037 0.179 0.000 0.670 95 A CB -1.785 17.280 19.000 0.108 0.000 0.834 95 A HN 1.545 nan 8.150 nan 0.000 0.470 96 S N -2.671 113.120 115.700 0.152 0.000 2.470 96 S HA -0.099 4.371 4.470 0.000 0.000 0.225 96 S C 1.772 176.434 174.600 0.104 0.000 1.006 96 S CA 0.957 59.228 58.200 0.118 0.000 0.934 96 S CB -0.722 62.523 63.200 0.075 0.000 0.778 96 S HN 0.639 nan 8.310 nan 0.000 0.517 97 Y N 1.683 121.949 120.300 -0.056 0.000 2.241 97 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 97 Y C 1.338 177.135 175.900 -0.171 0.000 1.166 97 Y CA 1.693 59.711 58.100 -0.136 0.000 1.203 97 Y CB -0.435 37.824 38.460 -0.334 0.000 0.977 97 Y HN 0.326 nan 8.280 nan 0.000 0.529 98 Y N 0.169 120.553 120.300 0.140 0.000 2.490 98 Y HA 0.085 4.635 4.550 -0.000 0.000 0.281 98 Y C 0.997 176.920 175.900 0.037 0.000 1.174 98 Y CA 0.511 58.636 58.100 0.041 0.000 1.295 98 Y CB -0.069 38.402 38.460 0.018 0.000 1.062 98 Y HN 0.224 nan 8.280 nan 0.000 0.522 99 E N 0.076 120.318 120.200 0.071 0.000 2.585 99 E HA 0.173 4.523 4.350 0.000 0.000 0.206 99 E C -0.427 176.049 176.600 -0.207 0.000 1.007 99 E CA -0.019 56.370 56.400 -0.017 0.000 1.028 99 E CB 0.314 30.040 29.700 0.044 0.000 1.087 99 E HN 0.402 nan 8.360 nan 0.000 0.455 100 Q N 0.105 119.689 119.800 -0.361 0.000 2.315 100 Q HA 0.321 4.661 4.340 0.000 0.000 0.273 100 Q C -1.317 174.241 176.000 -0.737 0.000 1.053 100 Q CA -0.851 54.695 55.803 -0.428 0.000 0.817 100 Q CB 1.769 30.389 28.738 -0.197 0.000 1.326 100 Q HN 0.134 nan 8.270 nan 0.000 0.423 101 Y N 1.368 121.536 120.300 -0.220 0.000 2.411 101 Y HA 0.245 4.796 4.550 0.000 0.000 0.333 101 Y C 0.321 176.186 175.900 -0.059 0.000 1.186 101 Y CA 0.228 58.258 58.100 -0.117 0.000 1.381 101 Y CB 0.585 39.183 38.460 0.230 0.000 1.273 101 Y HN 0.463 nan 8.280 nan 0.000 0.546 102 H N -0.820 118.365 119.070 0.192 0.000 2.821 102 H HA 0.371 4.927 4.556 0.000 0.000 0.373 102 H C -0.495 174.489 175.328 -0.574 0.000 1.165 102 H CA -1.523 54.430 56.048 -0.159 0.000 1.154 102 H CB 1.623 31.213 29.762 -0.287 0.000 1.765 102 H HN 0.619 nan 8.280 nan 0.000 0.549 103 S N 0.804 115.947 115.700 -0.929 0.000 2.593 103 S HA 0.036 4.506 4.470 0.000 0.000 0.269 103 S C 1.463 175.733 174.600 -0.550 0.000 1.334 103 S CA -0.698 56.689 58.200 -1.355 0.000 1.015 103 S CB 1.027 63.599 63.200 -1.046 0.000 0.912 103 S HN 0.519 nan 8.310 nan 0.000 0.541 104 L N 1.774 122.724 121.223 -0.455 0.000 2.051 104 L HA -0.167 4.173 4.340 0.000 0.000 0.214 104 L C 1.880 178.651 176.870 -0.165 0.000 1.076 104 L CA 2.033 56.739 54.840 -0.224 0.000 0.758 104 L CB -1.522 40.434 42.059 -0.171 0.000 0.890 104 L HN 0.820 nan 8.230 nan 0.000 0.433 105 N N -0.911 117.747 118.700 -0.070 0.000 2.142 105 N HA -0.200 4.540 4.740 0.000 0.000 0.186 105 N C 1.769 177.326 175.510 0.079 0.000 1.023 105 N CA 1.085 54.201 53.050 0.110 0.000 0.852 105 N CB -0.136 38.397 38.487 0.077 0.000 0.998 105 N HN 0.398 nan 8.380 nan 0.000 0.424 106 E N 0.938 121.108 120.200 -0.051 0.000 2.085 106 E HA -0.107 4.243 4.350 0.000 0.000 0.194 106 E C 1.632 178.291 176.600 0.098 0.000 0.994 106 E CA 1.163 57.545 56.400 -0.029 0.000 0.801 106 E CB -0.279 29.317 29.700 -0.174 0.000 0.743 106 E HN 0.408 nan 8.360 nan 0.000 0.453 107 I N -0.623 119.984 120.570 0.061 0.000 2.202 107 I HA -0.275 3.895 4.170 0.000 0.000 0.242 107 I C 1.990 178.286 176.117 0.299 0.000 1.091 107 I CA 1.234 62.633 61.300 0.165 0.000 1.368 107 I CB -0.434 37.560 38.000 -0.010 0.000 1.058 107 I HN 0.164 nan 8.210 nan 0.000 0.410 108 Y N 1.063 121.499 120.300 0.225 0.000 2.193 108 Y HA -0.324 4.226 4.550 0.000 0.000 0.285 108 Y C 2.964 178.971 175.900 0.179 0.000 1.166 108 Y CA 1.480 59.723 58.100 0.237 0.000 1.181 108 Y CB -0.184 38.420 38.460 0.240 0.000 0.976 108 Y HN 0.310 nan 8.280 nan 0.000 0.520 109 S N -1.733 114.164 115.700 0.328 0.000 2.458 109 S HA -0.181 4.289 4.470 0.000 0.000 0.223 109 S C 1.558 176.287 174.600 0.215 0.000 1.019 109 S CA 0.337 58.663 58.200 0.211 0.000 0.937 109 S CB -0.938 62.350 63.200 0.148 0.000 0.788 109 S HN 0.647 nan 8.310 nan 0.000 0.511 110 W N 3.819 125.169 121.300 0.084 0.000 2.363 110 W HA -0.024 4.637 4.660 0.001 0.000 0.296 110 W C 1.952 178.554 176.519 0.139 0.000 1.212 110 W CA 1.439 58.838 57.345 0.089 0.000 1.260 110 W CB -0.196 29.335 29.460 0.119 0.000 1.131 110 W HN 0.388 nan 8.180 nan 0.000 0.530 111 I N -0.843 119.803 120.570 0.126 0.000 2.394 111 I HA -0.194 3.976 4.170 0.000 0.000 0.251 111 I C 1.930 177.891 176.117 -0.259 0.000 1.136 111 I CA 1.649 62.812 61.300 -0.228 0.000 1.425 111 I CB -0.726 37.294 38.000 0.033 0.000 1.079 111 I HN -0.091 nan 8.210 nan 0.000 0.425 112 E N 1.467 121.607 120.200 -0.099 0.000 2.058 112 E HA -0.244 4.106 4.350 0.000 0.000 0.194 112 E C 1.977 178.506 176.600 -0.117 0.000 0.997 112 E CA 1.687 58.027 56.400 -0.099 0.000 0.801 112 E CB -0.682 29.012 29.700 -0.011 0.000 0.746 112 E HN 0.697 nan 8.360 nan 0.000 0.450 113 F N 0.909 120.707 119.950 -0.253 0.000 2.069 113 F HA -0.221 4.306 4.527 0.001 0.000 0.298 113 F C 2.212 177.811 175.800 -0.335 0.000 1.113 113 F CA 1.235 59.078 58.000 -0.261 0.000 1.214 113 F CB -0.097 38.749 39.000 -0.257 0.000 0.978 113 F HN -0.028 nan 8.300 nan 0.000 0.474 114 I N 0.013 120.251 120.570 -0.555 0.000 2.252 114 I HA -0.235 3.935 4.170 0.000 0.000 0.245 114 I C 2.496 178.309 176.117 -0.507 0.000 1.102 114 I CA 1.757 62.644 61.300 -0.688 0.000 1.385 114 I CB -1.317 36.115 38.000 -0.947 0.000 1.064 114 I HN 0.269 nan 8.210 nan 0.000 0.414 115 T N 0.298 114.603 114.554 -0.416 0.000 2.821 115 T HA -0.149 4.201 4.350 0.000 0.000 0.267 115 T C 1.622 176.197 174.700 -0.209 0.000 1.046 115 T CA 1.350 63.288 62.100 -0.270 0.000 1.139 115 T CB 0.030 68.756 68.868 -0.236 0.000 0.871 115 T HN 0.415 nan 8.240 nan 0.000 0.454 116 E N -0.031 120.025 120.200 -0.240 0.000 2.299 116 E HA 0.041 4.391 4.350 0.000 0.000 0.193 116 E C 2.319 178.788 176.600 -0.218 0.000 0.998 116 E CA 0.263 56.546 56.400 -0.196 0.000 0.851 116 E CB 0.065 29.659 29.700 -0.177 0.000 0.795 116 E HN 0.327 nan 8.360 nan 0.000 0.492 117 R N 0.553 120.873 120.500 -0.300 0.000 2.127 117 R HA -0.011 4.329 4.340 0.000 0.000 0.217 117 R C 0.480 176.766 176.300 -0.023 0.000 1.074 117 R CA 0.863 56.822 56.100 -0.234 0.000 0.991 117 R CB 0.344 30.387 30.300 -0.429 0.000 0.895 117 R HN 0.225 nan 8.270 nan 0.000 0.450 118 H N -0.381 118.524 119.070 -0.275 0.000 2.386 118 H HA 0.206 4.763 4.556 0.000 0.000 0.232 118 H C -2.118 173.104 175.328 -0.177 0.000 1.416 118 H CA -1.891 54.029 56.048 -0.213 0.000 1.285 118 H CB 1.761 31.395 29.762 -0.213 0.000 1.625 118 H HN 0.217 nan 8.280 nan 0.000 0.521 119 P HA -0.164 nan 4.420 nan 0.000 0.218 119 P C 1.378 178.642 177.300 -0.061 0.000 1.149 119 P CA 1.103 64.162 63.100 -0.067 0.000 0.817 119 P CB 0.207 31.863 31.700 -0.073 0.000 0.785 120 D N -1.996 118.357 120.400 -0.079 0.000 2.392 120 D HA -0.107 4.533 4.640 0.000 0.000 0.228 120 D C 1.489 177.724 176.300 -0.109 0.000 1.003 120 D CA 1.061 55.008 54.000 -0.088 0.000 0.917 120 D CB -0.548 40.187 40.800 -0.108 0.000 0.890 120 D HN 0.244 nan 8.370 nan 0.000 0.532 121 M N -0.935 118.607 119.600 -0.097 0.000 2.227 121 M HA 0.225 4.705 4.480 0.000 0.000 0.226 121 M C 0.090 176.354 176.300 -0.061 0.000 1.423 121 M CA -0.004 55.227 55.300 -0.115 0.000 1.055 121 M CB 1.373 33.883 32.600 -0.151 0.000 1.572 121 M HN -0.175 nan 8.290 nan 0.000 0.567 122 L N 1.183 122.375 121.223 -0.051 0.000 2.295 122 L HA 0.456 4.796 4.340 0.000 0.000 0.285 122 L C -0.722 176.133 176.870 -0.025 0.000 1.035 122 L CA -0.335 54.478 54.840 -0.044 0.000 0.806 122 L CB 1.656 43.655 42.059 -0.100 0.000 1.214 122 L HN 0.041 nan 8.230 nan 0.000 0.426 123 T N 2.410 116.976 114.554 0.019 0.000 2.861 123 T HA 0.340 4.690 4.350 0.000 0.000 0.287 123 T C -0.616 174.126 174.700 0.071 0.000 1.003 123 T CA -0.748 61.379 62.100 0.045 0.000 0.977 123 T CB 2.308 71.231 68.868 0.092 0.000 0.996 123 T HN 0.472 nan 8.240 nan 0.000 0.448 124 K N 3.274 123.700 120.400 0.043 0.000 2.156 124 K HA 0.787 5.107 4.320 0.000 0.000 0.254 124 K C -1.151 175.531 176.600 0.137 0.000 0.950 124 K CA -0.903 55.407 56.287 0.039 0.000 0.849 124 K CB 0.882 33.313 32.500 -0.115 0.000 1.100 124 K HN 0.742 nan 8.250 nan 0.000 0.434 125 I N 0.447 121.165 120.570 0.247 0.000 2.667 125 I HA 0.233 4.403 4.170 0.000 0.000 0.288 125 I C -1.112 175.264 176.117 0.431 0.000 1.267 125 I CA -0.908 60.585 61.300 0.323 0.000 1.055 125 I CB 1.788 39.970 38.000 0.303 0.000 1.294 125 I HN 0.656 nan 8.210 nan 0.000 0.429 126 H N 7.595 126.864 119.070 0.330 0.000 2.690 126 H HA 0.437 4.994 4.556 0.000 0.000 0.289 126 H C 0.152 175.570 175.328 0.150 0.000 1.089 126 H CA -0.412 55.775 56.048 0.232 0.000 1.299 126 H CB 1.754 31.637 29.762 0.202 0.000 1.405 126 H HN 0.939 nan 8.280 nan 0.000 0.463 127 I N 1.981 122.451 120.570 -0.166 0.000 3.883 127 I HA 0.463 4.633 4.170 0.000 0.000 0.326 127 I C 0.676 176.706 176.117 -0.145 0.000 1.283 127 I CA 0.186 61.466 61.300 -0.033 0.000 1.161 127 I CB 0.661 38.692 38.000 0.052 0.000 1.012 127 I HN 0.599 nan 8.210 nan 0.000 0.421 128 G N -0.011 108.489 108.800 -0.501 0.000 2.345 128 G HA2 0.382 4.342 3.960 0.000 0.000 0.285 128 G HA3 0.382 4.342 3.960 0.000 0.000 0.285 128 G C -1.503 173.210 174.900 -0.312 0.000 1.297 128 G CA -0.358 44.570 45.100 -0.287 0.000 0.875 128 G HN 0.100 nan 8.290 nan 0.000 0.506 129 S N -0.632 115.033 115.700 -0.059 0.000 2.540 129 S HA 0.780 5.250 4.470 0.000 0.000 0.275 129 S C 0.312 174.962 174.600 0.083 0.000 1.123 129 S CA 0.034 58.254 58.200 0.035 0.000 0.907 129 S CB 1.625 64.865 63.200 0.066 0.000 1.081 129 S HN 1.644 nan 8.310 nan 0.000 0.476 130 S N 1.281 117.074 115.700 0.156 0.000 2.641 130 S HA 0.371 4.841 4.470 0.000 0.000 0.261 130 S C 0.896 175.626 174.600 0.218 0.000 1.257 130 S CA -0.483 57.844 58.200 0.211 0.000 0.983 130 S CB -0.135 63.234 63.200 0.282 0.000 0.990 130 S HN 0.656 nan 8.310 nan 0.000 0.572 131 F N 1.176 121.189 119.950 0.104 0.000 2.202 131 F HA -0.012 4.515 4.527 0.000 0.000 0.301 131 F C 1.885 177.746 175.800 0.102 0.000 1.082 131 F CA 1.555 59.597 58.000 0.071 0.000 1.313 131 F CB -0.215 38.809 39.000 0.041 0.000 1.024 131 F HN 0.710 nan 8.300 nan 0.000 0.495 132 E N 0.514 120.912 120.200 0.330 0.000 2.335 132 E HA 0.016 4.366 4.350 0.000 0.000 0.191 132 E C 0.096 176.828 176.600 0.221 0.000 1.077 132 E CA -0.050 56.525 56.400 0.291 0.000 1.010 132 E CB -0.138 29.836 29.700 0.457 0.000 1.141 132 E HN 0.331 nan 8.360 nan 0.000 0.452 133 K N -0.256 120.211 120.400 0.111 0.000 3.016 133 K HA -0.246 4.074 4.320 0.000 0.000 0.262 133 K C -0.675 175.914 176.600 -0.019 0.000 1.043 133 K CA 0.583 56.883 56.287 0.021 0.000 0.761 133 K CB -1.824 30.636 32.500 -0.067 0.000 1.230 133 K HN 0.288 nan 8.250 nan 0.000 0.485 134 Y N 0.938 121.288 120.300 0.083 0.000 2.301 134 Y HA 0.191 4.741 4.550 0.000 0.000 0.328 134 Y C -1.617 174.321 175.900 0.063 0.000 1.242 134 Y CA -2.150 56.005 58.100 0.093 0.000 1.323 134 Y CB 0.515 39.106 38.460 0.219 0.000 1.266 134 Y HN -0.028 nan 8.280 nan 0.000 0.527 135 P HA 0.158 nan 4.420 nan 0.000 0.279 135 P C -1.211 176.013 177.300 -0.126 0.000 1.239 135 P CA -0.039 63.021 63.100 -0.068 0.000 0.789 135 P CB 0.971 32.483 31.700 -0.313 0.000 0.933 136 L N 4.184 125.223 121.223 -0.306 0.000 2.287 136 L HA 0.415 4.755 4.340 0.000 0.000 0.287 136 L C -0.254 176.449 176.870 -0.278 0.000 1.022 136 L CA -0.754 53.980 54.840 -0.177 0.000 0.814 136 L CB 0.406 42.411 42.059 -0.089 0.000 1.217 136 L HN 0.323 nan 8.230 nan 0.000 0.420 137 Y N 2.243 122.628 120.300 0.142 0.000 2.393 137 Y HA 0.575 5.125 4.550 -0.000 0.000 0.341 137 Y C 0.083 176.022 175.900 0.064 0.000 0.988 137 Y CA -0.939 57.240 58.100 0.132 0.000 1.078 137 Y CB 2.138 40.728 38.460 0.217 0.000 1.203 137 Y HN 0.161 nan 8.280 nan 0.000 0.453 138 V N 4.506 124.550 119.914 0.218 0.000 2.732 138 V HA 0.482 4.602 4.120 0.000 0.000 0.310 138 V C -0.383 175.808 176.094 0.162 0.000 1.053 138 V CA -1.072 61.280 62.300 0.085 0.000 0.957 138 V CB 2.059 33.815 31.823 -0.112 0.000 1.018 138 V HN 0.542 nan 8.190 nan 0.000 0.452 139 L N 3.279 124.587 121.223 0.141 0.000 2.325 139 L HA 0.537 4.877 4.340 0.000 0.000 0.281 139 L C -0.058 176.937 176.870 0.209 0.000 1.004 139 L CA -0.512 54.417 54.840 0.149 0.000 0.823 139 L CB 1.629 43.753 42.059 0.109 0.000 1.236 139 L HN 0.600 nan 8.230 nan 0.000 0.415 140 K N 3.465 124.000 120.400 0.224 0.000 2.263 140 K HA 0.393 4.713 4.320 0.000 0.000 0.282 140 K C -0.943 175.700 176.600 0.071 0.000 1.089 140 K CA -0.474 55.908 56.287 0.160 0.000 0.907 140 K CB 0.987 33.618 32.500 0.217 0.000 1.148 140 K HN 0.356 nan 8.250 nan 0.000 0.470 141 V N 4.201 124.168 119.914 0.089 0.000 2.432 141 V HA 0.258 4.378 4.120 0.000 0.000 0.275 141 V C 0.238 176.378 176.094 0.076 0.000 1.043 141 V CA -0.118 62.242 62.300 0.099 0.000 0.925 141 V CB 0.860 32.804 31.823 0.202 0.000 0.985 141 V HN 1.042 nan 8.190 nan 0.000 0.466 142 S N 3.002 118.711 115.700 0.015 0.000 3.003 142 S HA 0.755 5.225 4.470 0.000 0.000 0.313 142 S C 0.468 175.037 174.600 -0.052 0.000 1.230 142 S CA -0.240 57.960 58.200 -0.000 0.000 0.977 142 S CB 0.639 63.823 63.200 -0.028 0.000 1.340 142 S HN 1.597 nan 8.310 nan 0.000 0.608 143 G N 0.720 109.503 108.800 -0.029 0.000 4.420 143 G HA2 -0.077 3.883 3.960 0.000 0.000 0.537 143 G HA3 -0.077 3.883 3.960 0.000 0.000 0.537 143 G C -0.050 174.775 174.900 -0.124 0.000 1.275 143 G CA 0.412 45.496 45.100 -0.027 0.000 0.906 143 G HN 0.776 nan 8.290 nan 0.000 0.579 144 K N 0.111 120.492 120.400 -0.032 0.000 2.438 144 K HA 0.109 4.429 4.320 0.000 0.000 0.205 144 K C 1.404 178.018 176.600 0.023 0.000 1.033 144 K CA 0.640 56.898 56.287 -0.047 0.000 1.089 144 K CB 0.516 32.998 32.500 -0.030 0.000 0.857 144 K HN 0.816 nan 8.250 nan 0.000 0.522 145 E N -0.511 119.717 120.200 0.045 0.000 2.467 145 E HA -0.019 4.331 4.350 0.000 0.000 0.213 145 E C 0.029 176.649 176.600 0.033 0.000 0.823 145 E CA -0.153 56.276 56.400 0.049 0.000 1.233 145 E CB 0.332 30.078 29.700 0.076 0.000 1.233 145 E HN 0.057 nan 8.360 nan 0.000 0.585 146 Q N 1.767 121.584 119.800 0.028 0.000 2.454 146 Q HA -0.114 4.226 4.340 0.000 0.000 0.307 146 Q C -0.779 175.232 176.000 0.018 0.000 1.430 146 Q CA 0.566 56.378 55.803 0.016 0.000 0.786 146 Q CB -1.388 27.356 28.738 0.009 0.000 1.115 146 Q HN 0.471 nan 8.270 nan 0.000 0.389 147 T N -0.880 113.685 114.554 0.018 0.000 2.914 147 T HA 0.588 4.938 4.350 0.000 0.000 0.313 147 T C 0.531 175.239 174.700 0.013 0.000 1.137 147 T CA -0.115 61.995 62.100 0.016 0.000 0.946 147 T CB 0.691 69.569 68.868 0.016 0.000 1.558 147 T HN 0.499 nan 8.240 nan 0.000 0.565 148 A N 0.916 123.743 122.820 0.012 0.000 3.173 148 A HA 0.409 4.729 4.320 0.000 0.000 0.304 148 A C 0.269 177.858 177.584 0.008 0.000 1.318 148 A CA -0.628 51.417 52.037 0.013 0.000 1.069 148 A CB -0.534 18.475 19.000 0.014 0.000 1.147 148 A HN 0.553 nan 8.150 nan 0.000 0.547 149 K N 0.600 121.002 120.400 0.002 0.000 2.168 149 K HA 0.361 4.681 4.320 0.000 0.000 0.239 149 K C -0.325 176.268 176.600 -0.012 0.000 0.999 149 K CA -1.096 55.182 56.287 -0.016 0.000 0.900 149 K CB 0.728 33.206 32.500 -0.037 0.000 1.111 149 K HN 0.448 nan 8.250 nan 0.000 0.452 150 N N 0.098 118.780 118.700 -0.031 0.000 2.317 150 N HA 0.291 5.032 4.740 0.000 0.000 0.245 150 N C -0.727 174.749 175.510 -0.057 0.000 1.294 150 N CA -0.043 52.994 53.050 -0.022 0.000 0.924 150 N CB 0.812 39.281 38.487 -0.030 0.000 1.186 150 N HN 0.634 nan 8.380 nan 0.000 0.495 151 A N 0.200 123.015 122.820 -0.008 0.000 2.498 151 A HA 0.731 5.051 4.320 0.000 0.000 0.298 151 A C -0.776 176.822 177.584 0.023 0.000 1.075 151 A CA -0.611 51.406 52.037 -0.034 0.000 0.714 151 A CB 1.119 20.211 19.000 0.152 0.000 1.299 151 A HN 0.540 nan 8.150 nan 0.000 0.407 152 I N 1.587 122.110 120.570 -0.079 0.000 2.474 152 I HA 0.374 4.544 4.170 0.000 0.000 0.294 152 I C -0.827 175.513 176.117 0.372 0.000 1.005 152 I CA -0.499 60.862 61.300 0.103 0.000 1.113 152 I CB 1.799 39.759 38.000 -0.066 0.000 1.289 152 I HN 0.805 nan 8.210 nan 0.000 0.436 153 W N 8.137 129.596 121.300 0.265 0.000 2.573 153 W HA 0.677 5.337 4.660 -0.000 0.000 0.326 153 W C -1.986 174.593 176.519 0.101 0.000 1.049 153 W CA -0.818 56.697 57.345 0.284 0.000 1.220 153 W CB 1.370 31.038 29.460 0.348 0.000 1.373 153 W HN 0.307 nan 8.180 nan 0.000 0.507 154 I N 5.763 126.071 120.570 -0.437 0.000 2.478 154 I HA 0.121 4.291 4.170 0.000 0.000 0.287 154 I C -0.820 174.852 176.117 -0.743 0.000 1.042 154 I CA -0.632 60.396 61.300 -0.454 0.000 1.067 154 I CB 1.929 39.736 38.000 -0.321 0.000 1.233 154 I HN 0.335 nan 8.210 nan 0.000 0.431 155 D N 5.069 125.176 120.400 -0.488 0.000 2.198 155 D HA 0.654 5.294 4.640 0.000 0.000 0.247 155 D C -0.699 175.520 176.300 -0.135 0.000 1.010 155 D CA -0.329 53.511 54.000 -0.266 0.000 0.880 155 D CB 1.836 42.731 40.800 0.159 0.000 1.209 155 D HN 0.356 nan 8.370 nan 0.000 0.451 156 c N 0.191 118.731 118.600 -0.100 0.000 2.822 156 c HA 0.893 5.463 4.570 0.000 0.000 0.341 156 c C 1.237 175.285 174.090 -0.069 0.000 1.301 156 c CA -0.045 56.237 56.329 -0.077 0.000 1.706 156 c CB 0.896 43.393 42.510 -0.022 0.000 2.178 156 c HN 1.088 nan 8.230 nan 0.000 0.481 157 G N 0.672 109.432 108.800 -0.066 0.000 2.249 157 G HA2 -0.242 3.718 3.960 0.000 0.000 0.273 157 G HA3 -0.242 3.718 3.960 0.000 0.000 0.273 157 G C 0.408 175.322 174.900 0.024 0.000 1.036 157 G CA 0.631 45.708 45.100 -0.039 0.000 0.824 157 G HN 0.764 nan 8.290 nan 0.000 0.504 158 I N -0.799 119.763 120.570 -0.013 0.000 2.252 158 I HA -0.009 4.161 4.170 0.000 0.000 0.245 158 I C 1.365 177.479 176.117 -0.005 0.000 1.102 158 I CA 1.016 62.307 61.300 -0.015 0.000 1.385 158 I CB -0.037 37.938 38.000 -0.042 0.000 1.064 158 I HN 0.388 nan 8.210 nan 0.000 0.414 159 H N -0.615 118.582 119.070 0.212 0.000 2.541 159 H HA 0.361 4.917 4.556 0.000 0.000 0.316 159 H C 1.036 176.487 175.328 0.207 0.000 1.043 159 H CA -0.149 56.010 56.048 0.185 0.000 1.232 159 H CB 1.535 31.413 29.762 0.193 0.000 1.406 159 H HN 0.108 nan 8.280 nan 0.000 0.469 160 A N 4.136 127.174 122.820 0.363 0.000 1.927 160 A HA -0.271 4.049 4.320 0.000 0.000 0.220 160 A C 2.239 180.140 177.584 0.529 0.000 1.185 160 A CA 1.981 54.311 52.037 0.488 0.000 0.639 160 A CB -0.374 18.948 19.000 0.537 0.000 0.820 160 A HN 0.872 nan 8.150 nan 0.000 0.451 161 R N 0.068 120.692 120.500 0.207 0.000 2.307 161 R HA 0.051 4.391 4.340 0.000 0.000 0.199 161 R C -0.282 176.002 176.300 -0.027 0.000 1.000 161 R CA 0.857 56.909 56.100 -0.079 0.000 1.023 161 R CB -0.293 29.667 30.300 -0.568 0.000 0.908 161 R HN 0.507 nan 8.270 nan 0.000 0.473 162 E N 1.058 121.403 120.200 0.241 0.000 1.979 162 E HA -0.004 4.346 4.350 0.000 0.000 0.285 162 E C -0.385 176.494 176.600 0.466 0.000 1.188 162 E CA -0.491 56.126 56.400 0.361 0.000 1.214 162 E CB 0.072 30.003 29.700 0.385 0.000 1.210 162 E HN 0.336 nan 8.360 nan 0.000 0.477 163 W N 0.786 122.175 121.300 0.147 0.000 2.425 163 W HA -0.076 4.584 4.660 0.001 0.000 0.277 163 W C 1.752 178.434 176.519 0.271 0.000 1.231 163 W CA -0.095 57.353 57.345 0.172 0.000 1.248 163 W CB -0.334 29.023 29.460 -0.172 0.000 1.117 163 W HN 0.456 nan 8.180 nan 0.000 0.568 164 I N -0.088 120.779 120.570 0.496 0.000 2.567 164 I HA -0.262 3.908 4.170 0.000 0.000 0.257 164 I C 2.556 178.865 176.117 0.320 0.000 1.184 164 I CA 1.726 63.299 61.300 0.455 0.000 1.451 164 I CB -0.667 37.532 38.000 0.332 0.000 1.089 164 I HN -0.132 nan 8.210 nan 0.000 0.441 165 S N 0.831 116.692 115.700 0.269 0.000 2.329 165 S HA 0.015 4.485 4.470 0.000 0.000 0.215 165 S C -0.234 174.460 174.600 0.157 0.000 1.031 165 S CA 1.421 59.729 58.200 0.180 0.000 0.985 165 S CB -1.212 62.052 63.200 0.106 0.000 0.917 165 S HN 0.283 nan 8.310 nan 0.000 0.441 166 P HA 0.041 nan 4.420 nan 0.000 0.219 166 P C 1.377 178.696 177.300 0.032 0.000 1.146 166 P CA 1.404 64.483 63.100 -0.034 0.000 0.808 166 P CB -0.278 31.258 31.700 -0.275 0.000 0.779 167 A N -0.608 122.291 122.820 0.132 0.000 1.892 167 A HA -0.245 4.075 4.320 0.000 0.000 0.218 167 A C 2.122 179.817 177.584 0.186 0.000 1.188 167 A CA 1.773 53.888 52.037 0.130 0.000 0.631 167 A CB -1.877 17.241 19.000 0.196 0.000 0.822 167 A HN 0.201 nan 8.150 nan 0.000 0.447 168 F N 0.167 120.171 119.950 0.089 0.000 2.134 168 F HA -0.199 4.328 4.527 0.000 0.000 0.299 168 F C 2.494 178.413 175.800 0.198 0.000 1.097 168 F CA 1.493 59.559 58.000 0.110 0.000 1.264 168 F CB -0.752 38.271 39.000 0.039 0.000 1.001 168 F HN 0.298 nan 8.300 nan 0.000 0.479 169 c N 0.803 119.453 118.600 0.083 0.000 2.413 169 c HA -0.189 4.382 4.570 0.000 0.000 0.276 169 c C 2.888 177.001 174.090 0.038 0.000 1.236 169 c CA 1.214 57.539 56.329 -0.006 0.000 1.735 169 c CB -1.344 41.186 42.510 0.034 0.000 2.031 169 c HN 0.513 nan 8.230 nan 0.000 0.474 170 L N -1.381 119.845 121.223 0.006 0.000 2.017 170 L HA -0.194 4.146 4.340 0.000 0.000 0.208 170 L C 2.479 179.381 176.870 0.054 0.000 1.073 170 L CA 1.973 56.773 54.840 -0.065 0.000 0.745 170 L CB -0.930 40.956 42.059 -0.287 0.000 0.894 170 L HN 0.566 nan 8.230 nan 0.000 0.432 171 W N 0.554 121.779 121.300 -0.125 0.000 2.321 171 W HA -0.334 4.327 4.660 0.000 0.000 0.306 171 W C 2.582 178.910 176.519 -0.318 0.000 1.217 171 W CA 1.877 59.062 57.345 -0.267 0.000 1.257 171 W CB -0.356 29.007 29.460 -0.162 0.000 1.145 171 W HN 0.061 nan 8.180 nan 0.000 0.509 172 F N 0.421 120.319 119.950 -0.087 0.000 2.075 172 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 172 F C 2.163 177.918 175.800 -0.074 0.000 1.113 172 F CA 2.473 60.428 58.000 -0.075 0.000 1.218 172 F CB -0.710 38.064 39.000 -0.377 0.000 0.984 172 F HN -0.218 nan 8.300 nan 0.000 0.472 173 I N 0.295 120.898 120.570 0.055 0.000 2.226 173 I HA -0.240 3.930 4.170 0.000 0.000 0.245 173 I C 2.752 178.758 176.117 -0.185 0.000 1.100 173 I CA 1.374 62.663 61.300 -0.017 0.000 1.374 173 I CB -1.291 36.873 38.000 0.272 0.000 1.057 173 I HN 0.352 nan 8.210 nan 0.000 0.413 174 G N -0.351 108.248 108.800 -0.336 0.000 2.446 174 G HA2 -0.349 3.611 3.960 0.000 0.000 0.217 174 G HA3 -0.349 3.611 3.960 0.000 0.000 0.217 174 G C 1.516 176.049 174.900 -0.611 0.000 1.168 174 G CA 1.270 45.967 45.100 -0.671 0.000 0.771 174 G HN 0.406 nan 8.290 nan 0.000 0.551 175 H N -0.080 118.490 119.070 -0.834 0.000 2.395 175 H HA 0.136 4.692 4.556 0.000 0.000 0.299 175 H C 2.515 177.478 175.328 -0.608 0.000 1.070 175 H CA 0.968 56.535 56.048 -0.803 0.000 1.356 175 H CB 0.014 29.029 29.762 -1.245 0.000 1.401 175 H HN 0.221 nan 8.280 nan 0.000 0.524 176 I N -0.176 120.099 120.570 -0.491 0.000 2.202 176 I HA -0.238 3.932 4.170 0.000 0.000 0.242 176 I C 2.099 178.068 176.117 -0.246 0.000 1.091 176 I CA 1.350 62.408 61.300 -0.405 0.000 1.368 176 I CB -0.939 36.853 38.000 -0.347 0.000 1.058 176 I HN 0.343 nan 8.210 nan 0.000 0.410 177 T N 0.754 115.167 114.554 -0.236 0.000 2.635 177 T HA -0.280 4.070 4.350 0.000 0.000 0.267 177 T C 1.901 176.517 174.700 -0.140 0.000 1.040 177 T CA 1.780 63.799 62.100 -0.135 0.000 1.156 177 T CB -0.250 68.460 68.868 -0.263 0.000 0.863 177 T HN 0.375 nan 8.240 nan 0.000 0.430 178 Q N -0.497 119.103 119.800 -0.333 0.000 2.050 178 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 178 Q C 1.541 177.132 176.000 -0.682 0.000 0.980 178 Q CA 1.462 56.940 55.803 -0.541 0.000 0.840 178 Q CB -0.143 28.119 28.738 -0.792 0.000 0.898 178 Q HN 0.517 nan 8.270 nan 0.000 0.424 179 F N -1.503 118.188 119.950 -0.432 0.000 2.664 179 F HA 0.139 4.666 4.527 0.000 0.000 0.303 179 F C 0.035 175.745 175.800 -0.150 0.000 1.092 179 F CA -0.754 57.035 58.000 -0.350 0.000 1.305 179 F CB 0.128 38.780 39.000 -0.581 0.000 1.054 179 F HN 0.012 nan 8.300 nan 0.000 0.565 180 Y N 1.192 121.437 120.300 -0.091 0.000 2.650 180 Y HA 0.338 4.888 4.550 0.000 0.000 0.331 180 Y C 1.346 177.262 175.900 0.026 0.000 1.165 180 Y CA 0.582 58.689 58.100 0.012 0.000 1.473 180 Y CB 0.323 38.775 38.460 -0.013 0.000 1.224 180 Y HN 0.358 nan 8.280 nan 0.000 0.533 181 G N 4.852 113.408 108.800 -0.406 0.000 2.284 181 G HA2 -0.379 3.581 3.960 0.000 0.000 0.261 181 G HA3 -0.379 3.581 3.960 0.000 0.000 0.261 181 G C 0.986 175.851 174.900 -0.059 0.000 0.997 181 G CA 0.695 45.656 45.100 -0.232 0.000 0.621 181 G HN 0.701 nan 8.290 nan 0.000 0.534 182 I N 0.369 120.944 120.570 0.009 0.000 2.339 182 I HA 0.268 4.438 4.170 0.000 0.000 0.245 182 I C 1.060 177.243 176.117 0.110 0.000 1.096 182 I CA 0.897 62.237 61.300 0.067 0.000 1.408 182 I CB 0.099 38.169 38.000 0.117 0.000 1.092 182 I HN 0.166 nan 8.210 nan 0.000 0.423 183 I N 0.225 120.904 120.570 0.183 0.000 2.355 183 I HA 0.198 4.369 4.170 0.000 0.000 0.288 183 I C 1.261 177.441 176.117 0.105 0.000 0.999 183 I CA -0.249 61.153 61.300 0.170 0.000 1.163 183 I CB 1.737 39.911 38.000 0.290 0.000 1.316 183 I HN 0.017 nan 8.210 nan 0.000 0.454 184 G N 3.708 112.521 108.800 0.021 0.000 2.432 184 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 184 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 184 G C 1.237 176.150 174.900 0.022 0.000 1.135 184 G CA 0.493 45.590 45.100 -0.004 0.000 0.767 184 G HN 0.710 nan 8.290 nan 0.000 0.550 185 Q N -0.628 119.159 119.800 -0.022 0.000 2.096 185 Q HA -0.252 4.089 4.340 0.000 0.000 0.208 185 Q C 2.247 178.288 176.000 0.067 0.000 0.993 185 Q CA 1.975 57.758 55.803 -0.034 0.000 0.862 185 Q CB -0.300 28.314 28.738 -0.206 0.000 0.915 185 Q HN 0.641 nan 8.270 nan 0.000 0.416 186 Y N -0.229 120.178 120.300 0.178 0.000 2.314 186 Y HA -0.106 4.444 4.550 0.000 0.000 0.293 186 Y C 2.568 178.539 175.900 0.119 0.000 1.129 186 Y CA 1.449 59.672 58.100 0.205 0.000 1.201 186 Y CB -0.569 38.000 38.460 0.182 0.000 0.999 186 Y HN 0.136 nan 8.280 nan 0.000 0.541 187 T N 0.020 114.617 114.554 0.072 0.000 2.746 187 T HA -0.160 4.190 4.350 0.000 0.000 0.267 187 T C 1.639 176.388 174.700 0.083 0.000 1.039 187 T CA 1.551 63.553 62.100 -0.165 0.000 1.142 187 T CB -0.276 68.432 68.868 -0.266 0.000 0.866 187 T HN 0.343 nan 8.240 nan 0.000 0.444 188 N N 1.195 119.994 118.700 0.165 0.000 2.216 188 N HA 0.069 4.809 4.740 0.000 0.000 0.183 188 N C 1.847 177.519 175.510 0.270 0.000 1.017 188 N CA 0.397 53.601 53.050 0.258 0.000 0.861 188 N CB -0.569 38.130 38.487 0.353 0.000 0.986 188 N HN 0.280 nan 8.380 nan 0.000 0.428 189 L N 0.908 122.320 121.223 0.314 0.000 1.955 189 L HA -0.131 4.210 4.340 0.000 0.000 0.213 189 L C 1.946 178.868 176.870 0.088 0.000 1.072 189 L CA 1.419 56.315 54.840 0.093 0.000 0.755 189 L CB -0.425 41.807 42.059 0.287 0.000 0.888 189 L HN 0.144 nan 8.230 nan 0.000 0.432 190 L N -0.522 120.857 121.223 0.260 0.000 2.275 190 L HA -0.206 4.134 4.340 0.000 0.000 0.215 190 L C 2.709 179.679 176.870 0.167 0.000 1.119 190 L CA 0.707 55.703 54.840 0.261 0.000 0.790 190 L CB -0.457 41.839 42.059 0.395 0.000 0.919 190 L HN 0.352 nan 8.230 nan 0.000 0.443 191 R N 0.531 121.130 120.500 0.164 0.000 2.115 191 R HA -0.133 4.207 4.340 0.000 0.000 0.230 191 R C 1.967 178.290 176.300 0.038 0.000 1.111 191 R CA 1.282 57.450 56.100 0.113 0.000 0.976 191 R CB 0.057 30.426 30.300 0.115 0.000 0.870 191 R HN 0.356 nan 8.270 nan 0.000 0.445 192 L N -0.824 120.385 121.223 -0.022 0.000 2.470 192 L HA 0.263 4.603 4.340 0.000 0.000 0.219 192 L C 0.563 177.350 176.870 -0.138 0.000 1.071 192 L CA -0.153 54.636 54.840 -0.085 0.000 0.850 192 L CB 0.879 42.852 42.059 -0.143 0.000 1.040 192 L HN -0.056 nan 8.230 nan 0.000 0.475 193 V N -0.953 118.855 119.914 -0.178 0.000 3.102 193 V HA 0.456 4.576 4.120 0.000 0.000 0.312 193 V C -1.573 174.369 176.094 -0.254 0.000 1.135 193 V CA -0.699 61.445 62.300 -0.259 0.000 1.022 193 V CB 2.846 34.421 31.823 -0.413 0.000 1.056 193 V HN -0.053 nan 8.190 nan 0.000 0.436 194 D N 1.412 121.612 120.400 -0.333 0.000 2.299 194 D HA 0.600 5.240 4.640 0.000 0.000 0.243 194 D C -1.245 174.735 176.300 -0.534 0.000 0.982 194 D CA 0.256 54.075 54.000 -0.301 0.000 0.924 194 D CB 1.749 42.392 40.800 -0.262 0.000 1.238 194 D HN 0.300 nan 8.370 nan 0.000 0.484 195 F N 0.490 120.373 119.950 -0.111 0.000 2.546 195 F HA 0.422 4.949 4.527 0.000 0.000 0.320 195 F C -0.560 175.128 175.800 -0.186 0.000 1.076 195 F CA -0.831 57.145 58.000 -0.039 0.000 0.928 195 F CB 1.385 40.480 39.000 0.157 0.000 1.189 195 F HN 0.127 nan 8.300 nan 0.000 0.465 196 Y N 1.983 122.477 120.300 0.324 0.000 2.376 196 Y HA 0.562 5.112 4.550 -0.000 0.000 0.326 196 Y C -0.616 175.209 175.900 -0.126 0.000 0.970 196 Y CA -1.100 57.120 58.100 0.201 0.000 1.248 196 Y CB 1.560 40.291 38.460 0.452 0.000 1.117 196 Y HN 0.180 nan 8.280 nan 0.000 0.476 197 V N 5.528 125.446 119.914 0.006 0.000 2.384 197 V HA 0.374 4.494 4.120 0.000 0.000 0.287 197 V C -0.198 175.757 176.094 -0.231 0.000 1.020 197 V CA -0.793 61.402 62.300 -0.176 0.000 0.850 197 V CB 1.678 33.509 31.823 0.013 0.000 0.987 197 V HN 0.769 nan 8.190 nan 0.000 0.436 198 M N 8.321 127.663 119.600 -0.430 0.000 2.060 198 M HA 0.382 4.862 4.480 0.000 0.000 0.342 198 M C -1.784 174.444 176.300 -0.120 0.000 1.031 198 M CA -2.008 53.144 55.300 -0.248 0.000 0.981 198 M CB 2.083 34.499 32.600 -0.306 0.000 1.376 198 M HN 0.353 nan 8.290 nan 0.000 0.397 199 P HA -0.080 nan 4.420 nan 0.000 0.215 199 P C -0.212 177.040 177.300 -0.079 0.000 1.153 199 P CA 1.018 64.108 63.100 -0.016 0.000 0.853 199 P CB 0.108 31.847 31.700 0.064 0.000 0.788 200 V N -0.155 119.718 119.914 -0.069 0.000 2.462 200 V HA 0.101 4.221 4.120 0.000 0.000 0.288 200 V C 1.323 177.416 176.094 -0.002 0.000 1.020 200 V CA -0.353 61.880 62.300 -0.111 0.000 0.857 200 V CB 1.932 33.613 31.823 -0.236 0.000 1.013 200 V HN -0.248 nan 8.190 nan 0.000 0.431 201 V N 2.748 122.686 119.914 0.040 0.000 2.323 201 V HA -0.065 4.055 4.120 0.000 0.000 0.244 201 V C 1.590 177.753 176.094 0.115 0.000 1.041 201 V CA 1.809 64.176 62.300 0.112 0.000 1.025 201 V CB -0.229 31.694 31.823 0.166 0.000 0.656 201 V HN 0.893 nan 8.190 nan 0.000 0.451 202 N N 0.469 119.237 118.700 0.114 0.000 2.994 202 N HA 0.081 4.821 4.740 0.000 0.000 0.306 202 N C 1.004 176.625 175.510 0.184 0.000 1.348 202 N CA 0.044 53.188 53.050 0.158 0.000 1.109 202 N CB 0.211 38.809 38.487 0.185 0.000 1.415 202 N HN 0.091 nan 8.380 nan 0.000 0.529 203 V N 0.430 120.426 119.914 0.137 0.000 2.251 203 V HA -0.395 3.725 4.120 0.000 0.000 0.259 203 V C 1.568 177.733 176.094 0.118 0.000 1.078 203 V CA 2.371 64.741 62.300 0.116 0.000 1.072 203 V CB -0.350 31.554 31.823 0.136 0.000 0.681 203 V HN 0.486 nan 8.190 nan 0.000 0.454 204 D N -0.123 120.358 120.400 0.135 0.000 2.092 204 D HA -0.117 4.523 4.640 0.000 0.000 0.193 204 D C 2.094 178.504 176.300 0.184 0.000 0.994 204 D CA 1.771 55.843 54.000 0.119 0.000 0.828 204 D CB -0.760 40.150 40.800 0.184 0.000 0.963 204 D HN 0.528 nan 8.370 nan 0.000 0.450 205 G N -0.848 108.122 108.800 0.283 0.000 2.421 205 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 205 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 205 G C 1.566 176.760 174.900 0.491 0.000 1.143 205 G CA 0.371 45.735 45.100 0.441 0.000 0.784 205 G HN 0.245 nan 8.290 nan 0.000 0.541 206 Y N 1.717 122.183 120.300 0.276 0.000 2.128 206 Y HA -0.176 4.375 4.550 0.000 0.000 0.284 206 Y C 2.351 178.425 175.900 0.290 0.000 1.154 206 Y CA 1.998 60.258 58.100 0.268 0.000 1.149 206 Y CB -0.468 38.057 38.460 0.108 0.000 0.976 206 Y HN 0.317 nan 8.280 nan 0.000 0.505 207 D N -1.393 119.067 120.400 0.100 0.000 2.097 207 D HA -0.281 4.360 4.640 0.000 0.000 0.195 207 D C 2.111 178.471 176.300 0.101 0.000 0.989 207 D CA 1.548 55.532 54.000 -0.026 0.000 0.827 207 D CB -0.641 40.112 40.800 -0.078 0.000 0.966 207 D HN 0.451 nan 8.370 nan 0.000 0.456 208 Y N 0.696 121.006 120.300 0.017 0.000 2.241 208 Y HA -0.261 4.289 4.550 0.000 0.000 0.286 208 Y C 2.428 178.355 175.900 0.044 0.000 1.166 208 Y CA 2.046 60.125 58.100 -0.035 0.000 1.203 208 Y CB -0.441 37.898 38.460 -0.201 0.000 0.977 208 Y HN 0.114 nan 8.280 nan 0.000 0.529 209 S N -1.868 114.001 115.700 0.282 0.000 2.461 209 S HA -0.163 4.307 4.470 0.000 0.000 0.228 209 S C 1.673 176.413 174.600 0.235 0.000 1.005 209 S CA 0.648 59.017 58.200 0.281 0.000 0.942 209 S CB -0.871 62.605 63.200 0.459 0.000 0.776 209 S HN 0.573 nan 8.310 nan 0.000 0.514 210 W N 2.157 123.491 121.300 0.055 0.000 2.443 210 W HA 0.306 4.966 4.660 0.001 0.000 0.296 210 W C 2.582 179.083 176.519 -0.031 0.000 1.202 210 W CA 0.668 58.038 57.345 0.043 0.000 1.312 210 W CB 0.067 29.401 29.460 -0.210 0.000 1.120 210 W HN 0.283 nan 8.180 nan 0.000 0.536 211 K N -0.632 119.830 120.400 0.103 0.000 2.202 211 K HA 0.076 4.396 4.320 0.000 0.000 0.201 211 K C 1.619 178.114 176.600 -0.175 0.000 1.051 211 K CA 0.883 57.155 56.287 -0.024 0.000 0.977 211 K CB 0.114 32.587 32.500 -0.047 0.000 0.792 211 K HN 0.043 nan 8.250 nan 0.000 0.469 212 K N -0.888 119.284 120.400 -0.379 0.000 2.493 212 K HA 0.095 4.415 4.320 0.000 0.000 0.201 212 K C -0.007 176.371 176.600 -0.371 0.000 1.355 212 K CA 0.063 56.049 56.287 -0.503 0.000 0.953 212 K CB 0.751 32.650 32.500 -1.003 0.000 1.316 212 K HN -0.090 nan 8.250 nan 0.000 0.522 213 N N 1.025 119.531 118.700 -0.323 0.000 2.629 213 N HA 0.099 4.840 4.740 0.000 0.000 0.277 213 N C -0.108 175.430 175.510 0.046 0.000 1.188 213 N CA -0.053 52.969 53.050 -0.047 0.000 0.835 213 N CB 1.451 40.034 38.487 0.160 0.000 1.420 213 N HN -0.188 nan 8.380 nan 0.000 0.542 214 R N 2.991 123.440 120.500 -0.084 0.000 2.152 214 R HA 0.108 4.448 4.340 0.000 0.000 0.232 214 R C 1.111 177.312 176.300 -0.165 0.000 1.117 214 R CA 1.644 57.626 56.100 -0.197 0.000 0.981 214 R CB -0.010 30.069 30.300 -0.368 0.000 0.870 214 R HN 0.580 nan 8.270 nan 0.000 0.451 215 M N -0.893 118.672 119.600 -0.059 0.000 2.561 215 M HA 0.050 4.530 4.480 0.000 0.000 0.238 215 M C 0.149 176.479 176.300 0.049 0.000 1.131 215 M CA -0.448 54.826 55.300 -0.044 0.000 1.046 215 M CB -0.976 31.661 32.600 0.062 0.000 1.532 215 M HN 0.153 nan 8.290 nan 0.000 0.497 216 W N 2.397 123.698 121.300 0.001 0.000 2.193 216 W HA -0.021 4.639 4.660 -0.000 0.000 0.338 216 W C 1.191 177.726 176.519 0.027 0.000 1.310 216 W CA 0.628 58.022 57.345 0.081 0.000 1.243 216 W CB 0.740 30.352 29.460 0.254 0.000 1.165 216 W HN 0.306 nan 8.180 nan 0.000 0.566 217 R N 2.543 122.653 120.500 -0.650 0.000 2.444 217 R HA 0.104 4.445 4.340 0.000 0.000 0.201 217 R C 0.318 176.456 176.300 -0.269 0.000 0.861 217 R CA 0.101 55.975 56.100 -0.378 0.000 1.034 217 R CB 0.270 30.326 30.300 -0.406 0.000 1.347 217 R HN 0.304 nan 8.270 nan 0.000 0.659 218 K N 1.036 121.047 120.400 -0.648 0.000 2.362 218 K HA 0.141 4.461 4.320 0.000 0.000 0.245 218 K C 0.111 176.825 176.600 0.191 0.000 1.040 218 K CA -0.796 55.390 56.287 -0.167 0.000 0.961 218 K CB 0.147 32.525 32.500 -0.204 0.000 1.252 218 K HN -0.058 nan 8.250 nan 0.000 0.503 219 N N 0.987 119.810 118.700 0.206 0.000 2.202 219 N HA -0.079 4.661 4.740 0.000 0.000 0.228 219 N C -0.041 175.648 175.510 0.298 0.000 1.340 219 N CA 0.646 53.828 53.050 0.220 0.000 0.865 219 N CB 0.409 38.952 38.487 0.094 0.000 1.062 219 N HN 0.328 nan 8.380 nan 0.000 0.452 220 R N -0.423 120.142 120.500 0.108 0.000 2.690 220 R HA 0.142 4.483 4.340 0.000 0.000 0.419 220 R C -0.289 175.840 176.300 -0.285 0.000 1.090 220 R CA -0.307 55.776 56.100 -0.028 0.000 1.064 220 R CB -0.647 29.620 30.300 -0.055 0.000 1.391 220 R HN 0.583 nan 8.270 nan 0.000 0.586 221 S N 0.827 116.189 115.700 -0.563 0.000 2.592 221 S HA 0.579 5.049 4.470 0.000 0.000 0.271 221 S C 0.057 174.116 174.600 -0.902 0.000 1.326 221 S CA -0.455 56.822 58.200 -1.539 0.000 1.024 221 S CB 0.605 63.149 63.200 -1.094 0.000 0.921 221 S HN 0.280 nan 8.310 nan 0.000 0.527 222 F N -0.721 118.467 119.950 -1.270 0.000 2.641 222 F HA 0.798 5.325 4.527 0.000 0.000 0.308 222 F C -1.537 173.915 175.800 -0.580 0.000 1.105 222 F CA -1.346 56.249 58.000 -0.674 0.000 0.964 222 F CB 0.443 39.277 39.000 -0.277 0.000 1.294 222 F HN 0.531 nan 8.300 nan 0.000 0.442 223 Y N 1.315 121.703 120.300 0.146 0.000 3.321 223 Y HA 0.836 5.386 4.550 0.000 0.000 0.273 223 Y C 1.266 177.251 175.900 0.142 0.000 2.038 223 Y CA -0.242 57.904 58.100 0.076 0.000 0.871 223 Y CB -0.152 38.359 38.460 0.085 0.000 1.458 223 Y HN 0.776 nan 8.280 nan 0.000 0.600 224 A N 0.323 123.336 122.820 0.321 0.000 2.536 224 A HA 0.152 4.472 4.320 0.000 0.000 0.219 224 A C 0.664 178.337 177.584 0.149 0.000 1.926 224 A CA 0.773 52.928 52.037 0.195 0.000 0.710 224 A CB -0.774 18.313 19.000 0.146 0.000 1.364 224 A HN 0.623 nan 8.150 nan 0.000 0.522 225 N N 1.283 120.054 118.700 0.117 0.000 2.453 225 N HA 0.134 4.874 4.740 0.000 0.000 0.270 225 N C -1.263 174.304 175.510 0.096 0.000 1.195 225 N CA -0.210 52.880 53.050 0.066 0.000 0.902 225 N CB -0.045 38.471 38.487 0.049 0.000 1.186 225 N HN 0.597 nan 8.380 nan 0.000 0.510 226 N N -0.552 118.234 118.700 0.144 0.000 2.399 226 N HA 0.166 4.906 4.740 0.000 0.000 0.295 226 N C 0.403 176.028 175.510 0.192 0.000 1.048 226 N CA -0.408 52.757 53.050 0.192 0.000 0.886 226 N CB 0.616 39.169 38.487 0.111 0.000 1.185 226 N HN -0.014 nan 8.380 nan 0.000 0.487 227 H N -0.423 118.647 119.070 -0.001 0.000 2.524 227 H HA 0.204 4.760 4.556 0.000 0.000 0.282 227 H C 0.078 175.406 175.328 0.001 0.000 1.016 227 H CA -0.106 55.944 56.048 0.003 0.000 1.270 227 H CB 0.118 29.875 29.762 -0.009 0.000 1.394 227 H HN 0.482 nan 8.280 nan 0.000 0.568 228 c N 0.066 118.735 118.600 0.114 0.000 2.630 228 c HA 0.571 5.142 4.570 0.000 0.000 0.346 228 c C 0.438 174.574 174.090 0.077 0.000 1.245 228 c CA -0.935 55.436 56.329 0.070 0.000 1.804 228 c CB 1.464 43.991 42.510 0.027 0.000 2.279 228 c HN 0.230 nan 8.230 nan 0.000 0.498 229 I N 1.717 122.348 120.570 0.102 0.000 2.441 229 I HA 0.671 4.841 4.170 0.000 0.000 0.295 229 I C 0.403 176.674 176.117 0.256 0.000 0.994 229 I CA 0.434 61.800 61.300 0.110 0.000 1.144 229 I CB 1.339 39.325 38.000 -0.024 0.000 1.314 229 I HN 0.963 nan 8.210 nan 0.000 0.445 230 G N 3.152 112.067 108.800 0.193 0.000 2.742 230 G HA2 -0.015 3.945 3.960 0.000 0.000 0.686 230 G HA3 -0.015 3.945 3.960 0.000 0.000 0.686 230 G C -0.873 174.179 174.900 0.253 0.000 1.220 230 G CA -1.020 44.225 45.100 0.242 0.000 0.783 230 G HN 0.568 nan 8.290 nan 0.000 0.646 231 T N 1.623 116.278 114.554 0.168 0.000 2.848 231 T HA 0.475 4.825 4.350 0.000 0.000 0.285 231 T C -0.462 174.278 174.700 0.067 0.000 0.995 231 T CA -0.439 61.731 62.100 0.116 0.000 0.970 231 T CB 1.803 70.670 68.868 -0.001 0.000 0.976 231 T HN 0.735 nan 8.240 nan 0.000 0.441 232 D N 3.408 123.846 120.400 0.063 0.000 2.346 232 D HA 0.053 4.693 4.640 0.000 0.000 0.267 232 D C 1.337 177.706 176.300 0.116 0.000 1.320 232 D CA -0.168 53.901 54.000 0.115 0.000 0.951 232 D CB 0.341 41.215 40.800 0.124 0.000 1.079 232 D HN 0.466 nan 8.370 nan 0.000 0.509 233 L N 3.235 124.522 121.223 0.107 0.000 2.263 233 L HA -0.191 4.149 4.340 0.000 0.000 0.216 233 L C 1.556 178.521 176.870 0.159 0.000 1.111 233 L CA 0.757 55.633 54.840 0.060 0.000 0.773 233 L CB -0.342 41.754 42.059 0.061 0.000 0.906 233 L HN 0.325 nan 8.230 nan 0.000 0.439 234 N N -0.164 118.672 118.700 0.226 0.000 2.313 234 N HA -0.018 4.722 4.740 0.000 0.000 0.207 234 N C 1.055 176.753 175.510 0.314 0.000 1.141 234 N CA 0.218 53.474 53.050 0.343 0.000 0.830 234 N CB 0.255 38.897 38.487 0.259 0.000 1.008 234 N HN 0.060 nan 8.380 nan 0.000 0.481 235 R N -0.944 119.695 120.500 0.232 0.000 2.531 235 R HA 0.228 4.568 4.340 0.000 0.000 0.316 235 R C 0.465 176.881 176.300 0.193 0.000 0.955 235 R CA -0.034 56.160 56.100 0.157 0.000 1.120 235 R CB -0.162 30.165 30.300 0.045 0.000 1.361 235 R HN 0.278 nan 8.270 nan 0.000 0.534 236 N N -0.022 118.798 118.700 0.199 0.000 2.184 236 N HA 0.094 4.835 4.740 0.000 0.000 0.206 236 N C -0.307 175.195 175.510 -0.012 0.000 1.151 236 N CA -0.097 53.052 53.050 0.164 0.000 0.878 236 N CB 0.496 38.938 38.487 -0.076 0.000 1.014 236 N HN -0.112 nan 8.380 nan 0.000 0.512 237 F N 1.653 121.643 119.950 0.066 0.000 2.435 237 F HA 0.296 4.823 4.527 -0.000 0.000 0.316 237 F C 1.136 176.905 175.800 -0.051 0.000 1.220 237 F CA -0.636 57.287 58.000 -0.130 0.000 1.241 237 F CB 0.543 39.468 39.000 -0.124 0.000 1.234 237 F HN -0.097 nan 8.300 nan 0.000 0.569 238 A N 1.807 124.583 122.820 -0.073 0.000 2.391 238 A HA 0.579 4.899 4.320 0.000 0.000 0.316 238 A C -0.537 177.148 177.584 0.168 0.000 1.381 238 A CA -0.248 51.749 52.037 -0.066 0.000 0.998 238 A CB -0.324 18.562 19.000 -0.189 0.000 1.147 238 A HN 0.579 nan 8.150 nan 0.000 0.545 239 S N 1.211 117.033 115.700 0.203 0.000 2.566 239 S HA 0.357 4.827 4.470 0.000 0.000 0.298 239 S C 0.479 174.972 174.600 -0.178 0.000 1.083 239 S CA -0.770 57.489 58.200 0.098 0.000 0.978 239 S CB 1.715 65.035 63.200 0.200 0.000 1.073 239 S HN 0.655 nan 8.310 nan 0.000 0.491 240 K N 0.768 120.785 120.400 -0.638 0.000 2.706 240 K HA 0.073 4.393 4.320 0.000 0.000 0.217 240 K C -0.436 175.585 176.600 -0.964 0.000 1.019 240 K CA 0.518 56.358 56.287 -0.745 0.000 1.181 240 K CB -0.267 31.808 32.500 -0.708 0.000 0.940 240 K HN 0.541 nan 8.250 nan 0.000 0.491 241 H N -1.884 116.968 119.070 -0.364 0.000 3.407 241 H HA 0.014 4.570 4.556 0.000 0.000 0.222 241 H C -1.204 174.152 175.328 0.047 0.000 1.357 241 H CA -0.889 55.107 56.048 -0.087 0.000 1.145 241 H CB -0.028 29.716 29.762 -0.030 0.000 2.622 241 H HN 0.251 nan 8.280 nan 0.000 0.556 242 W N 0.978 122.270 121.300 -0.014 0.000 2.435 242 W HA 0.009 4.669 4.660 0.000 0.000 0.337 242 W C 0.916 177.461 176.519 0.043 0.000 1.300 242 W CA 1.023 58.380 57.345 0.019 0.000 1.298 242 W CB 0.233 29.690 29.460 -0.006 0.000 1.217 242 W HN 0.619 nan 8.180 nan 0.000 0.565 243 c N 4.386 122.585 118.600 -0.668 0.000 4.397 243 c HA -0.279 4.291 4.570 0.000 0.000 0.291 243 c C 1.508 175.413 174.090 -0.309 0.000 1.408 243 c CA 0.986 56.838 56.329 -0.794 0.000 1.971 243 c CB -2.368 39.160 42.510 -1.637 0.000 1.258 243 c HN 0.917 nan 8.230 nan 0.000 0.795 244 E N 0.245 120.371 120.200 -0.124 0.000 3.280 244 E HA 0.132 4.482 4.350 0.000 0.000 0.487 244 E C 0.448 177.010 176.600 -0.063 0.000 0.261 244 E CA -0.259 56.110 56.400 -0.052 0.000 2.810 244 E CB 0.084 29.786 29.700 0.003 0.000 2.284 244 E HN 0.694 nan 8.360 nan 0.000 0.409 245 E N -0.669 119.511 120.200 -0.034 0.000 2.200 245 E HA 0.275 4.625 4.350 0.000 0.000 0.283 245 E C -0.074 176.527 176.600 0.003 0.000 1.015 245 E CA 0.435 56.820 56.400 -0.025 0.000 0.819 245 E CB 0.721 30.407 29.700 -0.024 0.000 1.081 245 E HN 0.615 nan 8.360 nan 0.000 0.397 246 G N 2.701 111.504 108.800 0.004 0.000 2.278 246 G HA2 -0.195 3.766 3.960 0.000 0.000 0.210 246 G HA3 -0.195 3.766 3.960 0.000 0.000 0.210 246 G C 0.023 174.945 174.900 0.037 0.000 1.000 246 G CA -0.131 45.004 45.100 0.058 0.000 0.635 246 G HN 0.840 nan 8.290 nan 0.000 0.495 247 A N -0.099 122.701 122.820 -0.034 0.000 2.325 247 A HA 0.886 5.206 4.320 0.000 0.000 0.333 247 A C 0.125 177.655 177.584 -0.089 0.000 1.155 247 A CA 0.590 52.575 52.037 -0.086 0.000 0.814 247 A CB 1.703 20.568 19.000 -0.225 0.000 1.206 247 A HN 1.457 nan 8.150 nan 0.000 0.482 248 S N 0.105 115.776 115.700 -0.049 0.000 2.472 248 S HA 0.423 4.893 4.470 0.000 0.000 0.303 248 S C 1.135 175.766 174.600 0.051 0.000 1.099 248 S CA 0.043 58.235 58.200 -0.014 0.000 1.077 248 S CB 1.060 64.261 63.200 0.001 0.000 1.031 248 S HN 1.258 nan 8.310 nan 0.000 0.487 249 S N 2.941 118.661 115.700 0.034 0.000 2.522 249 S HA 0.061 4.531 4.470 0.000 0.000 0.227 249 S C 0.938 175.618 174.600 0.133 0.000 0.986 249 S CA 0.056 58.326 58.200 0.117 0.000 0.929 249 S CB -0.230 63.000 63.200 0.049 0.000 0.769 249 S HN 0.605 nan 8.310 nan 0.000 0.529 250 S N 2.149 117.860 115.700 0.019 0.000 2.531 250 S HA 0.253 4.723 4.470 0.000 0.000 0.279 250 S C 1.204 175.620 174.600 -0.308 0.000 1.305 250 S CA 0.008 58.141 58.200 -0.111 0.000 1.058 250 S CB 0.863 64.006 63.200 -0.095 0.000 0.899 250 S HN 0.518 nan 8.310 nan 0.000 0.493 251 S N 3.336 118.698 115.700 -0.563 0.000 2.561 251 S HA -0.017 4.453 4.470 0.000 0.000 0.225 251 S C 1.186 175.525 174.600 -0.435 0.000 0.977 251 S CA 0.380 57.947 58.200 -1.056 0.000 0.926 251 S CB -0.525 62.213 63.200 -0.769 0.000 0.769 251 S HN 0.765 nan 8.310 nan 0.000 0.533 252 c N 1.562 120.023 118.600 -0.232 0.000 2.906 252 c HA 0.453 5.023 4.570 0.000 0.000 0.274 252 c C 1.357 175.403 174.090 -0.074 0.000 1.257 252 c CA -0.656 55.609 56.329 -0.106 0.000 1.695 252 c CB -1.503 40.954 42.510 -0.087 0.000 1.958 252 c HN 0.648 nan 8.230 nan 0.000 0.619 253 S N 1.157 116.813 115.700 -0.073 0.000 2.576 253 S HA 0.065 4.535 4.470 0.000 0.000 0.276 253 S C 1.203 175.786 174.600 -0.028 0.000 1.339 253 S CA 0.046 58.225 58.200 -0.036 0.000 1.039 253 S CB 0.541 63.736 63.200 -0.008 0.000 0.902 253 S HN 0.431 nan 8.310 nan 0.000 0.516 254 E N 1.923 122.086 120.200 -0.061 0.000 2.409 254 E HA -0.053 4.297 4.350 0.000 0.000 0.198 254 E C 1.276 177.842 176.600 -0.057 0.000 1.024 254 E CA 1.032 57.368 56.400 -0.107 0.000 0.861 254 E CB -0.251 29.372 29.700 -0.128 0.000 0.788 254 E HN 0.816 nan 8.360 nan 0.000 0.521 255 T N -2.055 112.495 114.554 -0.006 0.000 3.248 255 T HA 0.056 4.406 4.350 0.000 0.000 0.271 255 T C 0.203 174.946 174.700 0.071 0.000 1.005 255 T CA -0.702 61.412 62.100 0.025 0.000 0.902 255 T CB -0.668 68.203 68.868 0.005 0.000 1.102 255 T HN -0.075 nan 8.240 nan 0.000 0.548 256 Y N 2.720 122.993 120.300 -0.045 0.000 2.729 256 Y HA 0.173 4.723 4.550 0.000 0.000 0.331 256 Y C 1.606 177.494 175.900 -0.020 0.000 1.208 256 Y CA -1.675 56.405 58.100 -0.034 0.000 1.521 256 Y CB -0.030 38.427 38.460 -0.006 0.000 1.233 256 Y HN 0.573 nan 8.280 nan 0.000 0.539 257 c N 3.940 122.342 118.600 -0.330 0.000 2.522 257 c HA 0.567 5.137 4.570 0.000 0.000 0.271 257 c C 1.239 175.110 174.090 -0.365 0.000 1.425 257 c CA 0.016 56.122 56.329 -0.372 0.000 1.751 257 c CB -1.627 40.475 42.510 -0.680 0.000 1.775 257 c HN 1.368 nan 8.230 nan 0.000 0.557 258 G N 0.546 108.716 108.800 -1.050 0.000 2.631 258 G HA2 -0.138 3.822 3.960 0.000 0.000 0.504 258 G HA3 -0.138 3.822 3.960 0.000 0.000 0.504 258 G C 0.013 174.702 174.900 -0.351 0.000 1.306 258 G CA -0.179 44.463 45.100 -0.762 0.000 0.897 258 G HN 0.401 nan 8.290 nan 0.000 0.520 259 L N -0.134 120.945 121.223 -0.240 0.000 2.093 259 L HA 0.230 4.570 4.340 0.000 0.000 0.208 259 L C 1.316 178.205 176.870 0.031 0.000 1.085 259 L CA 2.117 56.863 54.840 -0.157 0.000 0.755 259 L CB -0.566 41.220 42.059 -0.455 0.000 0.904 259 L HN 0.900 nan 8.230 nan 0.000 0.435 260 Y N -6.048 114.228 120.300 -0.041 0.000 2.810 260 Y HA 0.421 4.971 4.550 -0.000 0.000 0.355 260 Y C -3.048 172.467 175.900 -0.641 0.000 1.211 260 Y CA -2.702 55.135 58.100 -0.439 0.000 1.112 260 Y CB -0.083 38.162 38.460 -0.359 0.000 1.383 260 Y HN -0.344 nan 8.280 nan 0.000 0.458 261 P HA 0.016 nan 4.420 nan 0.000 0.260 261 P C -0.566 176.571 177.300 -0.272 0.000 1.172 261 P CA 1.531 64.217 63.100 -0.690 0.000 0.760 261 P CB 0.214 31.471 31.700 -0.738 0.000 0.773 262 E N 0.486 120.494 120.200 -0.320 0.000 2.791 262 E HA -0.260 4.090 4.350 0.000 0.000 0.271 262 E C 0.950 177.410 176.600 -0.234 0.000 1.044 262 E CA 0.813 57.032 56.400 -0.302 0.000 0.814 262 E CB -2.045 27.496 29.700 -0.264 0.000 1.400 262 E HN 0.654 nan 8.360 nan 0.000 0.423 263 S N -0.341 115.100 115.700 -0.432 0.000 2.423 263 S HA -0.125 4.345 4.470 0.000 0.000 0.231 263 S C 0.828 175.264 174.600 -0.274 0.000 1.014 263 S CA 0.620 58.396 58.200 -0.707 0.000 0.965 263 S CB 0.189 62.560 63.200 -1.382 0.000 0.785 263 S HN 0.218 nan 8.310 nan 0.000 0.495 264 E N 2.703 122.789 120.200 -0.191 0.000 2.313 264 E HA 0.242 4.592 4.350 0.000 0.000 0.276 264 E C -1.681 174.895 176.600 -0.039 0.000 1.031 264 E CA -2.669 53.699 56.400 -0.054 0.000 0.857 264 E CB 0.817 30.480 29.700 -0.062 0.000 1.040 264 E HN 0.248 nan 8.360 nan 0.000 0.408 265 P HA -0.143 nan 4.420 nan 0.000 0.217 265 P C 0.552 177.867 177.300 0.025 0.000 1.150 265 P CA 1.189 64.319 63.100 0.049 0.000 0.832 265 P CB 0.557 32.322 31.700 0.109 0.000 0.787 266 E N 0.044 120.267 120.200 0.038 0.000 2.051 266 E HA -0.104 4.246 4.350 0.000 0.000 0.192 266 E C 2.204 178.797 176.600 -0.012 0.000 0.991 266 E CA 0.955 57.381 56.400 0.042 0.000 0.799 266 E CB -1.357 28.389 29.700 0.078 0.000 0.748 266 E HN 0.025 nan 8.360 nan 0.000 0.449 267 V N 0.957 120.790 119.914 -0.136 0.000 2.358 267 V HA -0.242 3.878 4.120 0.000 0.000 0.246 267 V C 2.189 178.113 176.094 -0.283 0.000 1.047 267 V CA 1.648 63.724 62.300 -0.372 0.000 1.035 267 V CB -0.392 30.982 31.823 -0.749 0.000 0.658 267 V HN 0.127 nan 8.190 nan 0.000 0.452 268 K N 0.975 121.264 120.400 -0.185 0.000 2.063 268 K HA -0.126 4.194 4.320 0.000 0.000 0.208 268 K C 2.129 178.713 176.600 -0.026 0.000 1.048 268 K CA 1.724 57.946 56.287 -0.108 0.000 0.928 268 K CB -0.867 31.598 32.500 -0.058 0.000 0.713 268 K HN 0.402 nan 8.250 nan 0.000 0.442 269 A N -0.118 122.706 122.820 0.007 0.000 1.892 269 A HA -0.177 4.143 4.320 0.000 0.000 0.218 269 A C 2.385 180.040 177.584 0.118 0.000 1.188 269 A CA 2.205 54.276 52.037 0.057 0.000 0.631 269 A CB -0.915 18.111 19.000 0.042 0.000 0.822 269 A HN 0.132 nan 8.150 nan 0.000 0.447 270 V N -0.604 119.387 119.914 0.128 0.000 2.323 270 V HA -0.135 3.985 4.120 0.000 0.000 0.244 270 V C 3.057 179.246 176.094 0.158 0.000 1.041 270 V CA 1.794 64.205 62.300 0.184 0.000 1.025 270 V CB -1.068 30.950 31.823 0.325 0.000 0.656 270 V HN 0.628 nan 8.190 nan 0.000 0.451 271 A N -0.641 122.247 122.820 0.113 0.000 1.933 271 A HA -0.203 4.117 4.320 0.000 0.000 0.218 271 A C 2.476 180.156 177.584 0.160 0.000 1.175 271 A CA 2.329 54.402 52.037 0.060 0.000 0.628 271 A CB -0.608 18.208 19.000 -0.306 0.000 0.814 271 A HN 0.503 nan 8.150 nan 0.000 0.444 272 S N -1.340 114.421 115.700 0.102 0.000 2.357 272 S HA -0.077 4.393 4.470 0.000 0.000 0.221 272 S C 1.636 176.302 174.600 0.110 0.000 1.031 272 S CA 1.169 59.426 58.200 0.095 0.000 0.982 272 S CB -0.533 62.710 63.200 0.071 0.000 0.853 272 S HN 0.617 nan 8.310 nan 0.000 0.458 273 F N 2.297 122.250 119.950 0.005 0.000 2.115 273 F HA -0.195 4.332 4.527 0.000 0.000 0.300 273 F C 1.789 177.549 175.800 -0.067 0.000 1.092 273 F CA 1.439 59.425 58.000 -0.022 0.000 1.245 273 F CB -0.300 38.696 39.000 -0.007 0.000 0.995 273 F HN 0.113 nan 8.300 nan 0.000 0.481 274 L N -0.377 120.901 121.223 0.092 0.000 2.072 274 L HA -0.152 4.188 4.340 0.000 0.000 0.205 274 L C 2.660 179.498 176.870 -0.054 0.000 1.079 274 L CA 1.206 56.034 54.840 -0.019 0.000 0.752 274 L CB -0.597 41.480 42.059 0.031 0.000 0.906 274 L HN -0.008 nan 8.230 nan 0.000 0.436 275 R N -0.290 120.236 120.500 0.044 0.000 2.091 275 R HA -0.206 4.135 4.340 0.000 0.000 0.238 275 R C 2.410 178.671 176.300 -0.066 0.000 1.136 275 R CA 1.520 57.631 56.100 0.018 0.000 0.959 275 R CB -0.338 30.013 30.300 0.085 0.000 0.856 275 R HN 0.252 nan 8.270 nan 0.000 0.437 276 R N 0.611 121.039 120.500 -0.121 0.000 2.120 276 R HA -0.065 4.275 4.340 0.000 0.000 0.234 276 R C 0.622 176.792 176.300 -0.217 0.000 1.123 276 R CA 1.397 57.396 56.100 -0.168 0.000 0.975 276 R CB 0.092 30.262 30.300 -0.218 0.000 0.866 276 R HN 0.248 nan 8.270 nan 0.000 0.446 277 N N 0.276 118.793 118.700 -0.305 0.000 2.338 277 N HA 0.024 4.764 4.740 0.000 0.000 0.251 277 N C 0.606 176.047 175.510 -0.114 0.000 1.199 277 N CA -0.012 52.887 53.050 -0.252 0.000 0.879 277 N CB 0.694 38.900 38.487 -0.469 0.000 1.159 277 N HN 0.210 nan 8.380 nan 0.000 0.514 278 I N 0.990 121.503 120.570 -0.094 0.000 2.756 278 I HA -0.139 4.031 4.170 0.000 0.000 0.262 278 I C 1.668 177.764 176.117 -0.035 0.000 1.225 278 I CA 0.981 62.242 61.300 -0.065 0.000 1.472 278 I CB 0.108 38.061 38.000 -0.079 0.000 1.094 278 I HN 0.136 nan 8.210 nan 0.000 0.454 279 N N 0.079 118.763 118.700 -0.026 0.000 2.331 279 N HA -0.157 4.583 4.740 0.000 0.000 0.180 279 N C 1.579 177.099 175.510 0.018 0.000 1.019 279 N CA 0.976 54.021 53.050 -0.009 0.000 0.881 279 N CB 0.037 38.517 38.487 -0.012 0.000 0.972 279 N HN 0.427 nan 8.380 nan 0.000 0.435 280 Q N 0.853 120.678 119.800 0.042 0.000 2.165 280 Q HA 0.192 4.532 4.340 0.000 0.000 0.197 280 Q C 0.407 176.472 176.000 0.109 0.000 0.952 280 Q CA 0.190 56.041 55.803 0.080 0.000 0.848 280 Q CB -0.015 28.799 28.738 0.127 0.000 0.931 280 Q HN 0.202 nan 8.270 nan 0.000 0.470 281 I N 2.044 122.695 120.570 0.136 0.000 2.752 281 I HA -0.128 4.043 4.170 0.000 0.000 0.286 281 I C 0.893 177.088 176.117 0.130 0.000 1.180 281 I CA 0.560 61.971 61.300 0.183 0.000 1.404 281 I CB 0.550 38.670 38.000 0.201 0.000 1.389 281 I HN 0.005 nan 8.210 nan 0.000 0.549 282 K N 5.282 125.774 120.400 0.153 0.000 2.367 282 K HA 0.491 4.812 4.320 0.000 0.000 0.195 282 K C 0.051 176.806 176.600 0.258 0.000 1.060 282 K CA 0.172 56.558 56.287 0.166 0.000 1.022 282 K CB 0.713 33.299 32.500 0.145 0.000 0.894 282 K HN 0.592 nan 8.250 nan 0.000 0.540 283 A N 0.426 123.413 122.820 0.278 0.000 2.572 283 A HA 0.628 4.948 4.320 0.000 0.000 0.295 283 A C -2.065 175.774 177.584 0.425 0.000 1.072 283 A CA -0.651 51.605 52.037 0.365 0.000 0.691 283 A CB 1.237 20.458 19.000 0.369 0.000 1.291 283 A HN 0.140 nan 8.150 nan 0.000 0.404 284 Y N 1.468 121.956 120.300 0.314 0.000 2.346 284 Y HA 0.725 5.275 4.550 -0.000 0.000 0.332 284 Y C -1.336 174.799 175.900 0.393 0.000 0.985 284 Y CA -0.761 57.554 58.100 0.359 0.000 1.112 284 Y CB 1.291 39.868 38.460 0.195 0.000 1.170 284 Y HN 0.580 nan 8.280 nan 0.000 0.447 285 I N 5.456 125.981 120.570 -0.074 0.000 2.418 285 I HA 0.333 4.503 4.170 0.000 0.000 0.287 285 I C -0.610 175.359 176.117 -0.247 0.000 1.008 285 I CA -0.824 60.458 61.300 -0.030 0.000 1.104 285 I CB 1.954 39.985 38.000 0.051 0.000 1.264 285 I HN 0.547 nan 8.210 nan 0.000 0.438 286 S N 7.641 123.288 115.700 -0.088 0.000 2.456 286 S HA 0.591 5.061 4.470 0.000 0.000 0.316 286 S C -0.308 174.326 174.600 0.057 0.000 1.089 286 S CA -0.784 57.414 58.200 -0.003 0.000 1.101 286 S CB 0.637 63.986 63.200 0.248 0.000 0.995 286 S HN 0.404 nan 8.310 nan 0.000 0.468 287 M N 5.609 125.145 119.600 -0.108 0.000 2.188 287 M HA 0.465 4.945 4.480 0.000 0.000 0.357 287 M C -0.036 176.114 176.300 -0.251 0.000 1.204 287 M CA -0.040 55.194 55.300 -0.111 0.000 1.095 287 M CB 0.559 33.089 32.600 -0.116 0.000 1.604 287 M HN 0.692 nan 8.290 nan 0.000 0.464 288 H N -0.034 119.099 119.070 0.104 0.000 2.960 288 H HA 0.671 5.227 4.556 0.000 0.000 0.338 288 H C -0.679 174.750 175.328 0.168 0.000 1.261 288 H CA -0.518 55.633 56.048 0.172 0.000 1.136 288 H CB 2.194 32.078 29.762 0.203 0.000 1.875 288 H HN 0.722 nan 8.280 nan 0.000 0.550 289 S N -0.098 115.831 115.700 0.381 0.000 2.685 289 S HA 0.596 5.067 4.470 0.000 0.000 0.282 289 S C -1.241 173.547 174.600 0.313 0.000 1.159 289 S CA -0.754 57.630 58.200 0.305 0.000 0.833 289 S CB 1.985 65.367 63.200 0.304 0.000 1.151 289 S HN 0.615 nan 8.310 nan 0.000 0.485 290 Y N -1.297 119.015 120.300 0.019 0.000 2.732 290 Y HA 0.913 5.463 4.550 0.000 0.000 0.327 290 Y C 0.810 176.672 175.900 -0.062 0.000 1.162 290 Y CA -0.471 57.578 58.100 -0.085 0.000 1.238 290 Y CB 0.853 39.160 38.460 -0.255 0.000 1.443 290 Y HN 0.786 nan 8.280 nan 0.000 0.584 291 S N -2.372 113.349 115.700 0.034 0.000 2.501 291 S HA -0.159 4.312 4.470 0.000 0.000 0.215 291 S C -0.814 173.566 174.600 -0.367 0.000 0.766 291 S CA -0.017 58.114 58.200 -0.114 0.000 0.991 291 S CB -1.031 62.168 63.200 -0.001 0.000 0.895 291 S HN 0.893 nan 8.310 nan 0.000 0.574 292 Q N 2.098 121.614 119.800 -0.474 0.000 2.438 292 Q HA -0.194 4.146 4.340 0.000 0.000 0.356 292 Q C -0.752 174.696 176.000 -0.921 0.000 1.438 292 Q CA 1.054 56.227 55.803 -1.050 0.000 0.973 292 Q CB -2.047 25.896 28.738 -1.323 0.000 1.151 292 Q HN 0.776 nan 8.270 nan 0.000 0.328 293 H N 1.010 119.954 119.070 -0.211 0.000 2.946 293 H HA 0.768 5.324 4.556 0.000 0.000 0.365 293 H C 0.041 175.493 175.328 0.207 0.000 1.197 293 H CA -0.800 55.270 56.048 0.037 0.000 1.131 293 H CB 2.059 31.820 29.762 -0.003 0.000 1.849 293 H HN 0.532 nan 8.280 nan 0.000 0.555 294 I N -0.068 120.739 120.570 0.396 0.000 2.439 294 I HA 0.526 4.696 4.170 0.000 0.000 0.285 294 I C -1.392 174.940 176.117 0.359 0.000 1.021 294 I CA -0.685 60.813 61.300 0.331 0.000 1.091 294 I CB 1.338 39.477 38.000 0.232 0.000 1.242 294 I HN 0.090 nan 8.210 nan 0.000 0.439 295 V N 7.098 127.179 119.914 0.278 0.000 2.769 295 V HA 0.641 4.761 4.120 0.000 0.000 0.312 295 V C -0.360 175.873 176.094 0.231 0.000 1.058 295 V CA -0.392 61.944 62.300 0.060 0.000 0.952 295 V CB 1.960 33.718 31.823 -0.107 0.000 1.019 295 V HN 0.731 nan 8.190 nan 0.000 0.445 296 F N 1.671 121.666 119.950 0.076 0.000 2.620 296 F HA 0.832 5.359 4.527 0.000 0.000 0.320 296 F C -2.774 172.908 175.800 -0.197 0.000 1.069 296 F CA -3.525 54.408 58.000 -0.111 0.000 0.953 296 F CB 0.378 39.253 39.000 -0.207 0.000 1.322 296 F HN 0.230 nan 8.300 nan 0.000 0.479 297 P HA -0.134 nan 4.420 nan 0.000 0.272 297 P C -1.396 175.658 177.300 -0.410 0.000 1.194 297 P CA 0.974 63.792 63.100 -0.470 0.000 0.777 297 P CB -0.141 30.896 31.700 -1.104 0.000 0.814 298 Y N -1.215 118.897 120.300 -0.312 0.000 2.978 298 Y HA -0.154 4.396 4.550 0.000 0.000 0.142 298 Y C 1.117 176.874 175.900 -0.238 0.000 1.837 298 Y CA 0.412 58.275 58.100 -0.395 0.000 0.947 298 Y CB -3.023 35.226 38.460 -0.352 0.000 1.519 298 Y HN 0.261 nan 8.280 nan 0.000 0.359 299 S N -0.943 114.705 115.700 -0.085 0.000 2.503 299 S HA -0.017 4.453 4.470 0.000 0.000 0.215 299 S C 1.429 176.024 174.600 -0.009 0.000 1.003 299 S CA 0.446 58.581 58.200 -0.110 0.000 0.910 299 S CB -0.089 63.030 63.200 -0.135 0.000 0.790 299 S HN 0.693 nan 8.310 nan 0.000 0.514 300 Y N 1.923 122.288 120.300 0.108 0.000 2.516 300 Y HA 0.403 4.953 4.550 0.000 0.000 0.291 300 Y C 0.807 176.757 175.900 0.084 0.000 1.131 300 Y CA 0.324 58.490 58.100 0.109 0.000 1.281 300 Y CB -0.644 37.917 38.460 0.169 0.000 1.013 300 Y HN 0.102 nan 8.280 nan 0.000 0.554 301 T N 0.266 114.790 114.554 -0.051 0.000 2.896 301 T HA 0.415 4.765 4.350 0.000 0.000 0.297 301 T C 0.187 174.877 174.700 -0.015 0.000 1.108 301 T CA -0.921 61.175 62.100 -0.006 0.000 1.004 301 T CB 1.592 70.444 68.868 -0.027 0.000 1.159 301 T HN 0.256 nan 8.240 nan 0.000 0.499 302 R N 1.182 121.689 120.500 0.011 0.000 2.317 302 R HA 0.209 4.549 4.340 0.000 0.000 0.208 302 R C 0.489 176.867 176.300 0.129 0.000 0.914 302 R CA -0.053 56.078 56.100 0.052 0.000 1.060 302 R CB 0.165 30.471 30.300 0.010 0.000 1.015 302 R HN 0.646 nan 8.270 nan 0.000 0.498 303 S N 0.290 116.029 115.700 0.066 0.000 2.651 303 S HA 0.379 4.849 4.470 0.000 0.000 0.291 303 S C -0.115 174.451 174.600 -0.056 0.000 1.141 303 S CA -1.009 57.192 58.200 0.002 0.000 1.027 303 S CB 2.098 65.293 63.200 -0.007 0.000 1.043 303 S HN -0.054 nan 8.310 nan 0.000 0.530 304 K N 1.068 121.326 120.400 -0.238 0.000 2.219 304 K HA 0.343 4.663 4.320 0.000 0.000 0.258 304 K C 0.306 176.906 176.600 -0.001 0.000 1.008 304 K CA -0.314 55.717 56.287 -0.427 0.000 0.928 304 K CB 0.368 32.480 32.500 -0.647 0.000 0.983 304 K HN 0.645 nan 8.250 nan 0.000 0.484 305 S N 0.954 116.643 115.700 -0.018 0.000 2.634 305 S HA 0.029 4.499 4.470 0.000 0.000 0.261 305 S C 1.203 175.883 174.600 0.132 0.000 1.271 305 S CA -0.734 57.475 58.200 0.014 0.000 0.985 305 S CB 1.008 63.918 63.200 -0.484 0.000 0.968 305 S HN 0.627 nan 8.310 nan 0.000 0.568 306 K N 0.538 121.061 120.400 0.204 0.000 2.057 306 K HA -0.130 4.190 4.320 0.000 0.000 0.207 306 K C 0.365 177.030 176.600 0.109 0.000 1.049 306 K CA 1.557 57.926 56.287 0.137 0.000 0.931 306 K CB -0.110 32.454 32.500 0.108 0.000 0.714 306 K HN 0.529 nan 8.250 nan 0.000 0.440 307 D N -0.822 119.656 120.400 0.129 0.000 2.340 307 D HA -0.054 4.586 4.640 0.000 0.000 0.217 307 D C 1.088 177.390 176.300 0.003 0.000 1.081 307 D CA 0.152 54.185 54.000 0.056 0.000 0.842 307 D CB 0.073 40.903 40.800 0.051 0.000 0.934 307 D HN 0.388 nan 8.370 nan 0.000 0.511 308 H N 2.050 121.081 119.070 -0.064 0.000 2.400 308 H HA -0.166 4.390 4.556 0.000 0.000 0.295 308 H C 1.759 177.061 175.328 -0.045 0.000 1.118 308 H CA 1.889 57.911 56.048 -0.043 0.000 1.256 308 H CB 0.375 30.113 29.762 -0.040 0.000 1.365 308 H HN 0.116 nan 8.280 nan 0.000 0.502 309 E N -0.211 119.987 120.200 -0.002 0.000 2.072 309 E HA -0.185 4.166 4.350 0.000 0.000 0.191 309 E C 2.232 178.766 176.600 -0.111 0.000 0.985 309 E CA 1.131 57.505 56.400 -0.043 0.000 0.801 309 E CB -0.059 29.667 29.700 0.044 0.000 0.750 309 E HN 0.690 nan 8.360 nan 0.000 0.452 310 E N 0.779 120.931 120.200 -0.080 0.000 2.072 310 E HA -0.142 4.208 4.350 0.000 0.000 0.190 310 E C 2.238 178.732 176.600 -0.176 0.000 0.982 310 E CA 0.408 56.776 56.400 -0.053 0.000 0.803 310 E CB 0.059 29.800 29.700 0.069 0.000 0.755 310 E HN 0.149 nan 8.360 nan 0.000 0.453 311 L N 0.507 121.544 121.223 -0.310 0.000 2.191 311 L HA -0.146 4.194 4.340 0.000 0.000 0.212 311 L C 2.626 178.921 176.870 -0.957 0.000 1.103 311 L CA 0.675 55.181 54.840 -0.556 0.000 0.769 311 L CB -0.203 41.394 42.059 -0.771 0.000 0.908 311 L HN 0.076 nan 8.230 nan 0.000 0.438 312 S N -0.061 115.129 115.700 -0.848 0.000 2.345 312 S HA -0.109 4.361 4.470 0.000 0.000 0.220 312 S C 1.936 176.369 174.600 -0.278 0.000 1.031 312 S CA 1.205 59.120 58.200 -0.474 0.000 0.996 312 S CB -0.234 62.851 63.200 -0.192 0.000 0.882 312 S HN 0.249 nan 8.310 nan 0.000 0.445 313 L N 1.104 122.195 121.223 -0.219 0.000 2.127 313 L HA -0.097 4.243 4.340 0.000 0.000 0.211 313 L C 2.238 178.969 176.870 -0.232 0.000 1.089 313 L CA 0.732 55.471 54.840 -0.168 0.000 0.757 313 L CB -0.602 41.401 42.059 -0.093 0.000 0.899 313 L HN 0.179 nan 8.230 nan 0.000 0.434 314 V N -0.246 119.488 119.914 -0.300 0.000 2.270 314 V HA -0.282 3.838 4.120 0.000 0.000 0.245 314 V C 2.723 178.626 176.094 -0.318 0.000 1.043 314 V CA 1.845 63.930 62.300 -0.358 0.000 1.014 314 V CB -1.010 30.599 31.823 -0.357 0.000 0.645 314 V HN 0.482 nan 8.190 nan 0.000 0.447 315 A N 0.649 123.303 122.820 -0.276 0.000 1.902 315 A HA -0.216 4.105 4.320 0.000 0.000 0.217 315 A C 2.550 179.925 177.584 -0.349 0.000 1.181 315 A CA 2.327 54.252 52.037 -0.186 0.000 0.623 315 A CB -0.781 18.330 19.000 0.185 0.000 0.818 315 A HN 0.677 nan 8.150 nan 0.000 0.443 316 S N -0.555 114.781 115.700 -0.608 0.000 2.453 316 S HA -0.147 4.323 4.470 0.000 0.000 0.231 316 S C 1.742 176.162 174.600 -0.300 0.000 1.005 316 S CA 1.382 59.151 58.200 -0.717 0.000 0.949 316 S CB -0.256 62.560 63.200 -0.639 0.000 0.774 316 S HN 0.680 nan 8.310 nan 0.000 0.510 317 E N 0.889 120.944 120.200 -0.241 0.000 2.216 317 E HA 0.139 4.489 4.350 0.000 0.000 0.192 317 E C 1.951 178.459 176.600 -0.153 0.000 0.988 317 E CA 0.703 57.007 56.400 -0.160 0.000 0.834 317 E CB -0.354 29.262 29.700 -0.139 0.000 0.772 317 E HN 0.703 nan 8.360 nan 0.000 0.479 318 A N 0.123 122.826 122.820 -0.196 0.000 1.970 318 A HA -0.026 4.294 4.320 0.000 0.000 0.216 318 A C 2.231 179.715 177.584 -0.167 0.000 1.170 318 A CA 0.790 52.715 52.037 -0.187 0.000 0.645 318 A CB -0.179 18.670 19.000 -0.251 0.000 0.816 318 A HN 0.196 nan 8.150 nan 0.000 0.447 319 V N -0.144 119.685 119.914 -0.142 0.000 2.453 319 V HA -0.166 3.954 4.120 0.000 0.000 0.247 319 V C 2.529 178.576 176.094 -0.079 0.000 1.048 319 V CA 1.941 64.187 62.300 -0.090 0.000 1.049 319 V CB -0.783 31.067 31.823 0.046 0.000 0.672 319 V HN 0.572 nan 8.190 nan 0.000 0.457 320 R N 0.180 120.634 120.500 -0.077 0.000 2.096 320 R HA -0.146 4.194 4.340 0.000 0.000 0.235 320 R C 2.369 178.631 176.300 -0.063 0.000 1.127 320 R CA 1.483 57.550 56.100 -0.055 0.000 0.968 320 R CB -0.402 29.866 30.300 -0.053 0.000 0.861 320 R HN 0.512 nan 8.270 nan 0.000 0.440 321 A N 1.040 123.812 122.820 -0.081 0.000 1.883 321 A HA -0.178 4.142 4.320 0.000 0.000 0.217 321 A C 2.108 179.640 177.584 -0.087 0.000 1.186 321 A CA 1.403 53.397 52.037 -0.072 0.000 0.624 321 A CB -0.511 18.447 19.000 -0.070 0.000 0.822 321 A HN 0.317 nan 8.150 nan 0.000 0.444 322 I N -0.941 119.542 120.570 -0.145 0.000 2.226 322 I HA -0.243 3.927 4.170 0.000 0.000 0.245 322 I C 2.534 178.578 176.117 -0.123 0.000 1.100 322 I CA 1.695 62.871 61.300 -0.207 0.000 1.374 322 I CB -0.328 37.398 38.000 -0.456 0.000 1.057 322 I HN 0.331 nan 8.210 nan 0.000 0.413 323 E N 0.828 120.982 120.200 -0.076 0.000 2.072 323 E HA -0.197 4.154 4.350 0.000 0.000 0.191 323 E C 2.146 178.734 176.600 -0.020 0.000 0.985 323 E CA 1.172 57.557 56.400 -0.025 0.000 0.801 323 E CB 0.033 29.733 29.700 -0.000 0.000 0.750 323 E HN 0.274 nan 8.360 nan 0.000 0.452 324 K N -0.414 119.969 120.400 -0.027 0.000 2.057 324 K HA -0.111 4.209 4.320 0.000 0.000 0.206 324 K C 2.329 178.919 176.600 -0.016 0.000 1.050 324 K CA 1.703 57.978 56.287 -0.019 0.000 0.935 324 K CB -0.197 32.289 32.500 -0.023 0.000 0.715 324 K HN 0.287 nan 8.250 nan 0.000 0.439 325 T N -1.303 113.238 114.554 -0.023 0.000 2.701 325 T HA -0.099 4.251 4.350 0.000 0.000 0.263 325 T C 1.179 175.875 174.700 -0.007 0.000 1.040 325 T CA 1.117 63.209 62.100 -0.012 0.000 1.147 325 T CB -0.189 68.673 68.868 -0.011 0.000 0.865 325 T HN 0.114 nan 8.240 nan 0.000 0.426 326 S N 1.112 116.805 115.700 -0.013 0.000 2.667 326 S HA 0.593 5.063 4.470 0.000 0.000 0.304 326 S C -0.244 174.365 174.600 0.015 0.000 1.135 326 S CA -0.909 57.293 58.200 0.004 0.000 1.125 326 S CB 0.793 63.996 63.200 0.005 0.000 0.996 326 S HN 0.689 nan 8.310 nan 0.000 0.474 327 K N 2.391 122.802 120.400 0.019 0.000 1.898 327 K HA -0.233 4.087 4.320 0.000 0.000 0.256 327 K C -0.748 175.867 176.600 0.024 0.000 1.652 327 K CA 1.133 57.435 56.287 0.025 0.000 0.589 327 K CB -1.145 31.376 32.500 0.036 0.000 0.785 327 K HN 0.606 nan 8.250 nan 0.000 0.824 328 N N 1.210 119.927 118.700 0.029 0.000 2.839 328 N HA 0.168 4.908 4.740 0.000 0.000 0.314 328 N C -1.122 174.411 175.510 0.040 0.000 1.449 328 N CA 0.043 53.111 53.050 0.030 0.000 1.050 328 N CB 0.781 39.282 38.487 0.025 0.000 1.364 328 N HN 0.307 nan 8.380 nan 0.000 0.512 329 T N 0.783 115.368 114.554 0.052 0.000 2.860 329 T HA 0.314 4.664 4.350 0.000 0.000 0.299 329 T C 0.509 175.273 174.700 0.107 0.000 1.045 329 T CA 0.028 62.180 62.100 0.087 0.000 1.071 329 T CB 0.969 69.911 68.868 0.124 0.000 0.985 329 T HN 0.137 nan 8.240 nan 0.000 0.537 330 R N 1.385 121.970 120.500 0.140 0.000 2.502 330 R HA 0.340 4.680 4.340 0.000 0.000 0.298 330 R C -1.365 175.065 176.300 0.215 0.000 1.018 330 R CA -0.533 55.655 56.100 0.148 0.000 0.899 330 R CB 1.571 31.910 30.300 0.065 0.000 1.181 330 R HN 0.650 nan 8.270 nan 0.000 0.444 331 Y N 0.686 120.979 120.300 -0.011 0.000 2.419 331 Y HA 0.378 4.928 4.550 0.000 0.000 0.328 331 Y C 0.932 176.854 175.900 0.037 0.000 1.162 331 Y CA -0.652 57.435 58.100 -0.021 0.000 1.174 331 Y CB 2.338 40.802 38.460 0.007 0.000 1.228 331 Y HN 0.486 nan 8.280 nan 0.000 0.473 332 T N -0.638 113.999 114.554 0.138 0.000 2.940 332 T HA 0.473 4.823 4.350 0.000 0.000 0.288 332 T C -1.003 173.899 174.700 0.337 0.000 1.033 332 T CA -0.950 61.271 62.100 0.202 0.000 1.033 332 T CB 1.591 70.537 68.868 0.129 0.000 1.079 332 T HN 0.690 nan 8.240 nan 0.000 0.496 333 H N -1.283 117.920 119.070 0.221 0.000 2.768 333 H HA 0.817 5.373 4.556 0.000 0.000 0.371 333 H C -0.296 175.128 175.328 0.161 0.000 1.151 333 H CA -1.262 54.928 56.048 0.236 0.000 1.165 333 H CB 1.697 31.634 29.762 0.291 0.000 1.722 333 H HN 1.217 nan 8.280 nan 0.000 0.543 334 G N 1.220 110.043 108.800 0.038 0.000 2.325 334 G HA2 0.129 4.089 3.960 0.000 0.000 0.297 334 G HA3 0.129 4.089 3.960 0.000 0.000 0.297 334 G C -1.389 173.046 174.900 -0.775 0.000 1.448 334 G CA -0.827 44.139 45.100 -0.223 0.000 0.838 334 G HN 1.118 nan 8.290 nan 0.000 0.579 335 H N -0.232 118.373 119.070 -0.775 0.000 2.732 335 H HA 0.394 4.951 4.556 0.000 0.000 0.351 335 H C 1.554 176.626 175.328 -0.428 0.000 1.090 335 H CA 0.181 55.804 56.048 -0.708 0.000 1.431 335 H CB 0.998 30.582 29.762 -0.296 0.000 1.447 335 H HN 0.870 nan 8.280 nan 0.000 0.582 336 G N 1.861 110.401 108.800 -0.434 0.000 2.499 336 G HA2 -0.302 3.658 3.960 0.000 0.000 0.221 336 G HA3 -0.302 3.658 3.960 0.000 0.000 0.221 336 G C 1.259 175.877 174.900 -0.471 0.000 1.109 336 G CA 0.946 45.788 45.100 -0.429 0.000 0.749 336 G HN 0.743 nan 8.290 nan 0.000 0.568 337 S N -1.111 114.284 115.700 -0.508 0.000 2.671 337 S HA 0.305 4.776 4.470 0.000 0.000 0.220 337 S C 1.215 175.576 174.600 -0.399 0.000 0.951 337 S CA 0.487 58.457 58.200 -0.383 0.000 0.932 337 S CB 0.330 63.390 63.200 -0.233 0.000 0.777 337 S HN 0.552 nan 8.310 nan 0.000 0.508 338 E N 0.225 120.120 120.200 -0.508 0.000 2.879 338 E HA 0.045 4.395 4.350 0.000 0.000 0.206 338 E C 1.266 177.705 176.600 -0.267 0.000 0.969 338 E CA 0.561 56.762 56.400 -0.331 0.000 1.496 338 E CB -0.357 29.153 29.700 -0.317 0.000 1.454 338 E HN 0.322 nan 8.360 nan 0.000 0.750 339 T N 2.311 116.660 114.554 -0.342 0.000 2.652 339 T HA -0.097 4.253 4.350 0.000 0.000 0.267 339 T C 1.849 176.313 174.700 -0.393 0.000 1.039 339 T CA 1.287 63.179 62.100 -0.347 0.000 1.153 339 T CB -0.093 68.525 68.868 -0.415 0.000 0.863 339 T HN -0.040 nan 8.240 nan 0.000 0.428 340 L N -1.659 119.313 121.223 -0.419 0.000 2.597 340 L HA 0.362 4.703 4.340 0.000 0.000 0.188 340 L C -0.058 176.752 176.870 -0.099 0.000 1.333 340 L CA -0.187 54.465 54.840 -0.312 0.000 1.543 340 L CB 0.256 41.974 42.059 -0.569 0.000 1.504 340 L HN 0.420 nan 8.230 nan 0.000 0.813 341 Y N -3.474 116.715 120.300 -0.185 0.000 2.741 341 Y HA 0.425 4.976 4.550 0.000 0.000 0.339 341 Y C -1.135 174.696 175.900 -0.115 0.000 1.226 341 Y CA -1.521 56.497 58.100 -0.138 0.000 1.072 341 Y CB 0.251 38.645 38.460 -0.110 0.000 1.331 341 Y HN -0.080 nan 8.280 nan 0.000 0.453 342 L N 2.404 123.671 121.223 0.075 0.000 2.534 342 L HA 0.490 4.830 4.340 0.000 0.000 0.271 342 L C 0.083 177.017 176.870 0.106 0.000 1.178 342 L CA 0.458 55.321 54.840 0.038 0.000 0.907 342 L CB 0.648 42.734 42.059 0.045 0.000 1.164 342 L HN 0.820 nan 8.230 nan 0.000 0.482 343 A N 6.373 129.210 122.820 0.028 0.000 3.156 343 A HA 0.492 4.812 4.320 0.000 0.000 0.311 343 A C -2.641 175.011 177.584 0.113 0.000 1.129 343 A CA -0.930 51.137 52.037 0.050 0.000 0.809 343 A CB 0.298 19.210 19.000 -0.146 0.000 1.257 343 A HN 0.348 nan 8.150 nan 0.000 0.491 344 P HA 0.532 nan 4.420 nan 0.000 0.293 344 P C 0.553 177.942 177.300 0.150 0.000 1.313 344 P CA 0.413 63.632 63.100 0.199 0.000 0.787 344 P CB 1.237 33.033 31.700 0.161 0.000 0.910 345 G N 1.882 110.844 108.800 0.269 0.000 2.165 345 G HA2 0.057 4.017 3.960 0.000 0.000 0.144 345 G HA3 0.057 4.017 3.960 0.000 0.000 0.144 345 G C 0.109 175.254 174.900 0.409 0.000 1.049 345 G CA -0.316 44.999 45.100 0.358 0.000 0.741 345 G HN 0.794 nan 8.290 nan 0.000 0.493 346 G N -0.496 108.513 108.800 0.348 0.000 2.356 346 G HA2 0.606 4.566 3.960 0.000 0.000 0.322 346 G HA3 0.606 4.566 3.960 0.000 0.000 0.322 346 G C 1.215 176.170 174.900 0.091 0.000 1.125 346 G CA 0.205 45.465 45.100 0.266 0.000 0.885 346 G HN 1.045 nan 8.290 nan 0.000 0.467 347 G N 1.624 110.168 108.800 -0.425 0.000 2.507 347 G HA2 -0.279 3.681 3.960 0.000 0.000 0.221 347 G HA3 -0.279 3.681 3.960 0.000 0.000 0.221 347 G C 1.374 176.030 174.900 -0.407 0.000 1.119 347 G CA 1.616 46.157 45.100 -0.932 0.000 0.751 347 G HN 0.712 nan 8.290 nan 0.000 0.574 348 D N 0.690 121.000 120.400 -0.151 0.000 2.137 348 D HA -0.070 4.571 4.640 0.000 0.000 0.202 348 D C 1.411 177.700 176.300 -0.019 0.000 0.970 348 D CA 1.151 55.097 54.000 -0.090 0.000 0.837 348 D CB -0.605 40.319 40.800 0.208 0.000 0.981 348 D HN 0.185 nan 8.370 nan 0.000 0.475 349 D N -0.185 120.292 120.400 0.129 0.000 2.224 349 D HA -0.066 4.574 4.640 0.000 0.000 0.205 349 D C 1.677 178.205 176.300 0.379 0.000 0.965 349 D CA 0.483 54.664 54.000 0.302 0.000 0.852 349 D CB -0.614 40.509 40.800 0.538 0.000 0.947 349 D HN 0.407 nan 8.370 nan 0.000 0.494 350 W N 1.712 123.075 121.300 0.106 0.000 2.378 350 W HA -0.063 4.597 4.660 -0.000 0.000 0.313 350 W C 1.891 178.403 176.519 -0.012 0.000 1.197 350 W CA 0.877 58.255 57.345 0.055 0.000 1.304 350 W CB -0.607 28.850 29.460 -0.004 0.000 1.148 350 W HN -0.189 nan 8.180 nan 0.000 0.494 351 I N 0.168 120.227 120.570 -0.852 0.000 2.226 351 I HA -0.327 3.843 4.170 0.000 0.000 0.245 351 I C 2.438 178.219 176.117 -0.561 0.000 1.100 351 I CA 1.953 62.575 61.300 -1.130 0.000 1.374 351 I CB -1.045 36.423 38.000 -0.886 0.000 1.057 351 I HN 0.095 nan 8.210 nan 0.000 0.413 352 Y N 2.324 122.391 120.300 -0.389 0.000 2.097 352 Y HA -0.326 4.224 4.550 0.000 0.000 0.282 352 Y C 2.206 177.997 175.900 -0.183 0.000 1.152 352 Y CA 1.969 59.915 58.100 -0.257 0.000 1.136 352 Y CB -0.464 37.862 38.460 -0.223 0.000 0.975 352 Y HN 0.222 nan 8.280 nan 0.000 0.498 353 D N 0.070 120.439 120.400 -0.050 0.000 2.265 353 D HA -0.158 4.482 4.640 0.000 0.000 0.208 353 D C 1.737 177.919 176.300 -0.196 0.000 0.977 353 D CA 1.345 55.318 54.000 -0.046 0.000 0.871 353 D CB -0.309 40.580 40.800 0.149 0.000 0.925 353 D HN 0.435 nan 8.370 nan 0.000 0.485 354 L N -1.572 119.451 121.223 -0.334 0.000 2.628 354 L HA 0.356 4.696 4.340 0.000 0.000 0.229 354 L C 1.286 177.976 176.870 -0.300 0.000 1.137 354 L CA 0.930 55.574 54.840 -0.327 0.000 0.909 354 L CB 0.518 42.266 42.059 -0.518 0.000 1.137 354 L HN 0.116 nan 8.230 nan 0.000 0.470 355 G N -0.532 108.072 108.800 -0.327 0.000 2.699 355 G HA2 -0.148 3.812 3.960 0.000 0.000 0.198 355 G HA3 -0.148 3.812 3.960 0.000 0.000 0.198 355 G C 0.012 174.747 174.900 -0.275 0.000 1.033 355 G CA -0.078 44.855 45.100 -0.278 0.000 0.728 355 G HN 0.067 nan 8.290 nan 0.000 0.484 356 I N 2.982 123.399 120.570 -0.255 0.000 2.483 356 I HA 0.210 4.380 4.170 0.000 0.000 0.291 356 I C 1.497 177.521 176.117 -0.155 0.000 1.112 356 I CA 0.332 61.542 61.300 -0.149 0.000 1.350 356 I CB 0.755 38.702 38.000 -0.088 0.000 1.419 356 I HN 0.432 nan 8.210 nan 0.000 0.523 357 K N 5.970 126.231 120.400 -0.232 0.000 2.025 357 K HA -0.120 4.200 4.320 0.000 0.000 0.207 357 K C 0.039 176.464 176.600 -0.291 0.000 1.049 357 K CA 1.301 57.381 56.287 -0.345 0.000 0.933 357 K CB 0.051 32.160 32.500 -0.652 0.000 0.714 357 K HN 0.403 nan 8.250 nan 0.000 0.438 358 Y N 1.222 121.558 120.300 0.058 0.000 2.636 358 Y HA 0.201 4.751 4.550 -0.000 0.000 0.341 358 Y C -0.226 175.639 175.900 -0.058 0.000 1.169 358 Y CA -0.523 57.584 58.100 0.010 0.000 1.498 358 Y CB 0.486 39.095 38.460 0.248 0.000 1.362 358 Y HN -0.080 nan 8.280 nan 0.000 0.494 359 S N 3.948 119.472 115.700 -0.294 0.000 2.519 359 S HA 0.833 5.304 4.470 0.000 0.000 0.309 359 S C -1.159 173.179 174.600 -0.438 0.000 1.100 359 S CA -0.427 57.713 58.200 -0.101 0.000 1.059 359 S CB 0.266 63.465 63.200 -0.002 0.000 1.008 359 S HN 0.308 nan 8.310 nan 0.000 0.478 360 F N 1.315 121.451 119.950 0.309 0.000 2.601 360 F HA 0.478 5.005 4.527 -0.000 0.000 0.309 360 F C 0.348 176.288 175.800 0.233 0.000 1.089 360 F CA -0.752 57.396 58.000 0.247 0.000 0.940 360 F CB 2.438 41.554 39.000 0.193 0.000 1.273 360 F HN 0.342 nan 8.300 nan 0.000 0.450 361 T N 3.470 118.273 114.554 0.415 0.000 2.797 361 T HA 0.646 4.996 4.350 0.000 0.000 0.279 361 T C -0.514 174.355 174.700 0.282 0.000 0.991 361 T CA -0.391 61.904 62.100 0.326 0.000 0.979 361 T CB 0.747 69.762 68.868 0.245 0.000 0.943 361 T HN 0.324 nan 8.240 nan 0.000 0.444 362 I N 3.111 123.818 120.570 0.228 0.000 2.355 362 I HA 0.291 4.462 4.170 0.000 0.000 0.288 362 I C 0.349 176.583 176.117 0.195 0.000 0.999 362 I CA -0.585 60.819 61.300 0.173 0.000 1.163 362 I CB 1.509 39.530 38.000 0.035 0.000 1.316 362 I HN 0.496 nan 8.210 nan 0.000 0.454 363 E N 6.744 127.070 120.200 0.209 0.000 2.105 363 E HA 0.365 4.715 4.350 0.000 0.000 0.285 363 E C -0.439 176.227 176.600 0.110 0.000 1.055 363 E CA -0.393 56.108 56.400 0.170 0.000 0.843 363 E CB 1.185 30.972 29.700 0.145 0.000 1.067 363 E HN 0.459 nan 8.360 nan 0.000 0.398 364 L N 2.514 123.811 121.223 0.124 0.000 2.682 364 L HA 0.446 4.786 4.340 0.000 0.000 0.209 364 L C 0.753 177.645 176.870 0.037 0.000 1.195 364 L CA -0.436 54.480 54.840 0.127 0.000 0.869 364 L CB 0.260 42.377 42.059 0.097 0.000 1.599 364 L HN 0.412 nan 8.230 nan 0.000 0.518 365 R N -0.348 120.175 120.500 0.038 0.000 2.888 365 R HA 0.383 4.724 4.340 0.000 0.000 0.266 365 R C -1.694 174.574 176.300 -0.053 0.000 1.020 365 R CA -0.456 55.641 56.100 -0.006 0.000 0.963 365 R CB 1.668 32.024 30.300 0.092 0.000 1.197 365 R HN 0.691 nan 8.270 nan 0.000 0.481 366 D N 0.003 120.343 120.400 -0.099 0.000 8.797 366 D HA -0.121 4.519 4.640 0.000 0.000 0.267 366 D C -0.071 176.205 176.300 -0.039 0.000 2.451 366 D CA 1.007 54.929 54.000 -0.131 0.000 2.310 366 D CB 0.128 40.795 40.800 -0.222 0.000 0.927 366 D HN 0.702 nan 8.370 nan 0.000 0.634 367 T N 1.633 116.169 114.554 -0.031 0.000 3.067 367 T HA 0.453 4.803 4.350 0.000 0.000 0.261 367 T C 1.553 176.397 174.700 0.240 0.000 1.110 367 T CA 1.070 63.217 62.100 0.079 0.000 1.113 367 T CB 0.669 69.540 68.868 0.005 0.000 0.917 367 T HN 1.004 nan 8.240 nan 0.000 0.499 368 G N 1.080 109.885 108.800 0.008 0.000 4.040 368 G HA2 -0.140 3.820 3.960 0.000 0.000 0.192 368 G HA3 -0.140 3.820 3.960 0.000 0.000 0.192 368 G C 1.225 175.953 174.900 -0.286 0.000 0.963 368 G CA 0.661 45.702 45.100 -0.097 0.000 0.886 368 G HN 0.393 nan 8.290 nan 0.000 0.333 369 T N 0.567 114.965 114.554 -0.260 0.000 2.515 369 T HA -0.410 3.941 4.350 0.000 0.000 0.246 369 T C 1.908 176.344 174.700 -0.440 0.000 1.268 369 T CA 2.474 64.359 62.100 -0.358 0.000 1.136 369 T CB -0.712 67.960 68.868 -0.326 0.000 0.847 369 T HN 0.416 nan 8.240 nan 0.000 0.442 370 Y N 1.980 122.148 120.300 -0.221 0.000 2.509 370 Y HA 0.414 4.964 4.550 0.000 0.000 0.270 370 Y C 2.337 178.107 175.900 -0.217 0.000 1.103 370 Y CA 0.050 58.057 58.100 -0.154 0.000 1.278 370 Y CB -0.393 37.990 38.460 -0.129 0.000 1.087 370 Y HN 0.765 nan 8.280 nan 0.000 0.542 371 G N 1.061 109.567 108.800 -0.491 0.000 2.591 371 G HA2 -0.391 3.569 3.960 0.000 0.000 0.298 371 G HA3 -0.391 3.569 3.960 0.000 0.000 0.298 371 G C 0.624 174.887 174.900 -1.062 0.000 1.195 371 G CA 0.692 44.930 45.100 -1.437 0.000 0.989 371 G HN 0.243 nan 8.290 nan 0.000 0.551 372 F N 0.897 120.332 119.950 -0.859 0.000 2.699 372 F HA 0.339 4.866 4.527 0.000 0.000 0.298 372 F C 2.149 177.701 175.800 -0.414 0.000 1.154 372 F CA 0.712 58.385 58.000 -0.545 0.000 1.457 372 F CB -0.079 38.519 39.000 -0.671 0.000 1.106 372 F HN 0.124 nan 8.300 nan 0.000 0.585 373 L N 0.864 122.014 121.223 -0.122 0.000 2.912 373 L HA 0.211 4.551 4.340 0.000 0.000 0.240 373 L C -0.002 176.854 176.870 -0.024 0.000 1.262 373 L CA -0.609 54.190 54.840 -0.070 0.000 1.058 373 L CB -0.075 42.037 42.059 0.089 0.000 1.383 373 L HN 0.003 nan 8.230 nan 0.000 0.512 374 L N 2.836 124.040 121.223 -0.032 0.000 2.660 374 L HA 0.097 4.437 4.340 0.000 0.000 0.272 374 L C -1.993 174.925 176.870 0.080 0.000 1.194 374 L CA -0.825 54.012 54.840 -0.005 0.000 0.945 374 L CB -0.044 42.077 42.059 0.105 0.000 1.212 374 L HN -0.065 nan 8.230 nan 0.000 0.490 375 P HA 0.036 nan 4.420 nan 0.000 0.269 375 P C 0.327 177.634 177.300 0.013 0.000 1.209 375 P CA -0.081 62.995 63.100 -0.040 0.000 0.776 375 P CB 0.544 32.105 31.700 -0.230 0.000 0.876 376 E N 2.056 122.249 120.200 -0.011 0.000 2.086 376 E HA -0.298 4.052 4.350 0.000 0.000 0.200 376 E C 1.795 178.272 176.600 -0.206 0.000 1.012 376 E CA 1.506 57.812 56.400 -0.158 0.000 0.812 376 E CB -0.279 29.334 29.700 -0.146 0.000 0.743 376 E HN 0.416 nan 8.360 nan 0.000 0.453 377 R N -0.261 120.057 120.500 -0.303 0.000 2.208 377 R HA -0.245 4.095 4.340 0.000 0.000 0.262 377 R C 1.726 177.717 176.300 -0.515 0.000 1.166 377 R CA 2.017 57.832 56.100 -0.475 0.000 0.987 377 R CB -0.664 29.178 30.300 -0.764 0.000 0.887 377 R HN 0.417 nan 8.270 nan 0.000 0.459 378 Y N -0.200 120.056 120.300 -0.072 0.000 2.457 378 Y HA 0.192 4.742 4.550 0.000 0.000 0.263 378 Y C 1.991 177.862 175.900 -0.049 0.000 1.164 378 Y CA -0.293 57.776 58.100 -0.052 0.000 1.274 378 Y CB 0.053 38.478 38.460 -0.058 0.000 1.097 378 Y HN -0.042 nan 8.280 nan 0.000 0.523 379 I N 0.501 121.077 120.570 0.010 0.000 2.208 379 I HA -0.335 3.835 4.170 0.000 0.000 0.245 379 I C 2.508 178.585 176.117 -0.067 0.000 1.097 379 I CA 1.584 62.863 61.300 -0.036 0.000 1.363 379 I CB -0.237 37.678 38.000 -0.142 0.000 1.051 379 I HN 0.182 nan 8.210 nan 0.000 0.413 380 K N 1.410 121.801 120.400 -0.015 0.000 1.969 380 K HA -0.158 4.162 4.320 0.000 0.000 0.216 380 K C -0.593 175.954 176.600 -0.088 0.000 1.048 380 K CA 1.883 58.182 56.287 0.021 0.000 0.948 380 K CB -0.968 31.598 32.500 0.110 0.000 0.726 380 K HN 0.159 nan 8.250 nan 0.000 0.442 381 P HA -0.098 nan 4.420 nan 0.000 0.222 381 P C 0.694 177.962 177.300 -0.052 0.000 1.147 381 P CA 1.337 64.429 63.100 -0.014 0.000 0.790 381 P CB 0.074 31.810 31.700 0.061 0.000 0.780 382 T N -0.622 113.902 114.554 -0.050 0.000 2.770 382 T HA -0.068 4.282 4.350 0.000 0.000 0.258 382 T C 2.025 176.644 174.700 -0.135 0.000 1.039 382 T CA 1.226 63.307 62.100 -0.032 0.000 1.143 382 T CB -1.105 67.782 68.868 0.033 0.000 0.866 382 T HN 0.125 nan 8.240 nan 0.000 0.428 383 C N 1.168 120.297 119.300 -0.285 0.000 2.422 383 C HA 0.037 4.497 4.460 0.000 0.000 0.279 383 C C 2.876 177.427 174.990 -0.731 0.000 1.305 383 C CA 0.509 59.241 59.018 -0.477 0.000 1.757 383 C CB -0.971 25.994 27.740 -1.291 0.000 1.962 383 C HN 0.483 nan 8.230 nan 0.000 0.499 384 R N 0.900 120.972 120.500 -0.713 0.000 2.115 384 R HA -0.122 4.218 4.340 0.000 0.000 0.230 384 R C 2.305 178.528 176.300 -0.129 0.000 1.111 384 R CA 1.607 57.426 56.100 -0.468 0.000 0.976 384 R CB -0.145 30.041 30.300 -0.190 0.000 0.870 384 R HN 0.787 nan 8.270 nan 0.000 0.445 385 E N -0.829 119.299 120.200 -0.119 0.000 2.216 385 E HA -0.006 4.344 4.350 0.000 0.000 0.192 385 E C 1.725 178.259 176.600 -0.110 0.000 0.973 385 E CA 0.679 57.021 56.400 -0.096 0.000 0.851 385 E CB -0.053 29.557 29.700 -0.150 0.000 0.804 385 E HN 0.256 nan 8.360 nan 0.000 0.477 386 A N 1.343 124.091 122.820 -0.119 0.000 1.908 386 A HA -0.160 4.161 4.320 0.000 0.000 0.218 386 A C 1.971 179.585 177.584 0.051 0.000 1.181 386 A CA 1.368 53.277 52.037 -0.213 0.000 0.627 386 A CB -0.979 17.669 19.000 -0.587 0.000 0.818 386 A HN 0.443 nan 8.150 nan 0.000 0.445 387 F N 0.636 120.706 119.950 0.200 0.000 2.186 387 F HA 0.018 4.545 4.527 -0.000 0.000 0.299 387 F C 2.529 178.444 175.800 0.193 0.000 1.090 387 F CA 1.002 59.212 58.000 0.350 0.000 1.307 387 F CB -0.238 38.958 39.000 0.327 0.000 1.019 387 F HN 0.264 nan 8.300 nan 0.000 0.489 388 A N 0.436 123.429 122.820 0.289 0.000 1.917 388 A HA -0.198 4.122 4.320 0.000 0.000 0.219 388 A C 2.381 179.969 177.584 0.007 0.000 1.182 388 A CA 2.124 54.242 52.037 0.136 0.000 0.633 388 A CB -1.545 17.484 19.000 0.050 0.000 0.819 388 A HN 0.491 nan 8.150 nan 0.000 0.448 389 A N -0.882 121.898 122.820 -0.066 0.000 1.854 389 A HA 0.062 4.382 4.320 0.000 0.000 0.214 389 A C 2.210 179.718 177.584 -0.126 0.000 1.192 389 A CA 1.592 53.548 52.037 -0.135 0.000 0.611 389 A CB -1.005 17.875 19.000 -0.199 0.000 0.832 389 A HN 0.420 nan 8.150 nan 0.000 0.442 390 V N 0.219 120.065 119.914 -0.113 0.000 2.392 390 V HA -0.236 3.884 4.120 0.000 0.000 0.249 390 V C 2.791 178.855 176.094 -0.050 0.000 1.059 390 V CA 2.326 64.568 62.300 -0.096 0.000 1.051 390 V CB -0.732 31.037 31.823 -0.090 0.000 0.658 390 V HN 0.559 nan 8.190 nan 0.000 0.455 391 S N -0.690 114.965 115.700 -0.074 0.000 2.355 391 S HA -0.220 4.250 4.470 0.000 0.000 0.222 391 S C 2.025 176.747 174.600 0.202 0.000 1.031 391 S CA 1.685 59.933 58.200 0.079 0.000 0.993 391 S CB -0.271 62.999 63.200 0.117 0.000 0.859 391 S HN 0.488 nan 8.310 nan 0.000 0.453 392 K N 1.772 122.230 120.400 0.097 0.000 2.063 392 K HA -0.045 4.275 4.320 0.000 0.000 0.208 392 K C 1.988 178.630 176.600 0.071 0.000 1.048 392 K CA 1.398 57.735 56.287 0.083 0.000 0.928 392 K CB -0.438 32.043 32.500 -0.030 0.000 0.713 392 K HN 0.574 nan 8.250 nan 0.000 0.442 393 I N -2.199 118.348 120.570 -0.038 0.000 2.500 393 I HA -0.032 4.138 4.170 0.000 0.000 0.252 393 I C 1.888 178.012 176.117 0.012 0.000 1.142 393 I CA 1.370 62.619 61.300 -0.084 0.000 1.451 393 I CB -0.294 37.526 38.000 -0.300 0.000 1.093 393 I HN 0.069 nan 8.210 nan 0.000 0.430 394 A N 1.025 123.871 122.820 0.044 0.000 1.933 394 A HA -0.191 4.129 4.320 0.000 0.000 0.218 394 A C 1.831 179.337 177.584 -0.130 0.000 1.175 394 A CA 1.652 53.675 52.037 -0.022 0.000 0.628 394 A CB -1.307 17.726 19.000 0.055 0.000 0.814 394 A HN 0.754 nan 8.150 nan 0.000 0.444 395 W N -1.779 119.533 121.300 0.020 0.000 2.770 395 W HA 0.087 4.747 4.660 0.001 0.000 0.256 395 W C 2.082 178.583 176.519 -0.031 0.000 1.291 395 W CA 0.860 58.203 57.345 -0.002 0.000 1.396 395 W CB -0.159 29.302 29.460 0.002 0.000 1.114 395 W HN 0.635 nan 8.180 nan 0.000 0.637 396 H N -0.593 118.505 119.070 0.047 0.000 2.363 396 H HA -0.135 4.421 4.556 0.000 0.000 0.301 396 H C 2.064 177.265 175.328 -0.211 0.000 1.074 396 H CA 2.356 58.351 56.048 -0.088 0.000 1.354 396 H CB -0.208 29.448 29.762 -0.177 0.000 1.397 396 H HN -0.135 nan 8.280 nan 0.000 0.516 397 V N 0.656 120.443 119.914 -0.211 0.000 2.295 397 V HA -0.254 3.866 4.120 0.000 0.000 0.246 397 V C 2.545 178.542 176.094 -0.162 0.000 1.049 397 V CA 1.994 64.137 62.300 -0.262 0.000 1.024 397 V CB -0.550 31.183 31.823 -0.150 0.000 0.648 397 V HN 0.457 nan 8.190 nan 0.000 0.447 398 I N -0.155 120.321 120.570 -0.156 0.000 2.248 398 I HA -0.313 3.857 4.170 0.000 0.000 0.248 398 I C 2.737 178.826 176.117 -0.047 0.000 1.107 398 I CA 2.064 63.283 61.300 -0.136 0.000 1.373 398 I CB -0.362 37.480 38.000 -0.263 0.000 1.055 398 I HN 0.274 nan 8.210 nan 0.000 0.418 399 R N 0.738 121.217 120.500 -0.034 0.000 2.093 399 R HA -0.075 4.266 4.340 0.000 0.000 0.224 399 R C 1.806 178.054 176.300 -0.086 0.000 1.101 399 R CA 1.351 57.432 56.100 -0.032 0.000 0.979 399 R CB 0.055 30.326 30.300 -0.047 0.000 0.877 399 R HN 0.375 nan 8.270 nan 0.000 0.441 400 N N -0.460 118.148 118.700 -0.153 0.000 2.407 400 N HA 0.048 4.788 4.740 0.000 0.000 0.182 400 N C 0.167 175.680 175.510 0.005 0.000 1.079 400 N CA 0.143 53.128 53.050 -0.108 0.000 0.882 400 N CB 0.802 39.153 38.487 -0.227 0.000 1.106 400 N HN -0.056 nan 8.380 nan 0.000 0.461 401 V N 0.000 119.925 119.914 0.019 0.000 2.409 401 V HA 0.000 4.120 4.120 0.000 0.000 0.244 401 V CA 0.000 62.344 62.300 0.074 0.000 1.235 401 V CB 0.000 31.876 31.823 0.088 0.000 1.184 401 V HN 0.000 nan 8.190 nan 0.000 0.556