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 2gr3_1_A DATA FIRST_RESID 5 DATA SEQUENCE ALKAPVVVLG AGLASVSFVA ELRQAGYQGL ITVVGDEAER PYDRPPLSKD DATA SEQUENCE FMAHGDAEKI RLDCKRAPEV EWLLGVTAQS FDPQAHTVAL SDGRTLPYGT DATA SEQUENCE LVLATGAAPR ALPTLQGATM PVHTLRTLED ARRIQAGLRP QSRLLIVGGG DATA SEQUENCE VIGLELAATA RTAGVHVSLV ETQPRLMSRA APATLADFVA RYHAAQGVDL DATA SEQUENCE RFERSVTGSV DGVVLLDDGT RIAADMVVVG IGVLANDALA RAAGLACDDG DATA SEQUENCE IFVDAYGRTT CPDVYALGDV TRQRNPLSGR FERIETWSNA QNQGIAVARH DATA SEQUENCE LVDPTAPGYA ELPWYFSDQG ALRIQVAGLA SGDEEIVRGE VSLDAPKFTL DATA SEQUENCE IELQKGRIVG ATCVNNARDF APLRRLLAVG AKPDRAALAD PATDLRKLAA DATA SEQUENCE AV 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.603 177.584 0.031 0.000 1.274 5 A CA 0.000 52.072 52.037 0.058 0.000 0.836 5 A CB 0.000 19.065 19.000 0.109 0.000 0.831 6 L N 3.041 124.231 121.223 -0.055 0.000 2.454 6 L HA 0.394 4.734 4.340 -0.001 0.000 0.284 6 L C -0.304 176.535 176.870 -0.052 0.000 1.139 6 L CA 0.588 55.361 54.840 -0.112 0.000 0.911 6 L CB -0.589 41.350 42.059 -0.199 0.000 1.262 6 L HN 0.230 nan 8.230 nan 0.000 0.453 7 K N 4.303 124.694 120.400 -0.015 0.000 2.206 7 K HA 0.708 5.028 4.320 -0.001 0.000 0.264 7 K C -0.169 176.457 176.600 0.044 0.000 0.967 7 K CA -0.619 55.683 56.287 0.025 0.000 0.844 7 K CB 1.499 34.020 32.500 0.035 0.000 1.099 7 K HN 0.641 nan 8.250 nan 0.000 0.441 8 A N 4.093 126.972 122.820 0.098 0.000 2.351 8 A HA 0.435 4.754 4.320 -0.001 0.000 0.257 8 A C -2.113 175.529 177.584 0.098 0.000 1.087 8 A CA -1.184 50.948 52.037 0.158 0.000 0.798 8 A CB -0.237 18.891 19.000 0.213 0.000 1.033 8 A HN 0.492 nan 8.150 nan 0.000 0.488 9 P HA 0.376 nan 4.420 nan 0.000 0.279 9 P C -0.839 176.542 177.300 0.136 0.000 1.252 9 P CA -0.327 62.859 63.100 0.144 0.000 0.811 9 P CB 0.981 32.742 31.700 0.102 0.000 1.035 10 V N 2.297 122.283 119.914 0.119 0.000 2.432 10 V HA 0.224 4.344 4.120 -0.001 0.000 0.275 10 V C 0.374 176.485 176.094 0.028 0.000 1.043 10 V CA -0.388 61.934 62.300 0.037 0.000 0.925 10 V CB 1.485 33.281 31.823 -0.044 0.000 0.985 10 V HN 0.261 nan 8.190 nan 0.000 0.466 11 V N 5.740 125.644 119.914 -0.016 0.000 2.540 11 V HA 0.520 4.639 4.120 -0.001 0.000 0.302 11 V C -0.340 175.665 176.094 -0.148 0.000 1.035 11 V CA -0.560 61.700 62.300 -0.067 0.000 0.873 11 V CB 2.105 33.901 31.823 -0.045 0.000 0.992 11 V HN 0.602 nan 8.190 nan 0.000 0.428 12 V N 5.985 125.821 119.914 -0.131 0.000 2.448 12 V HA 0.495 4.614 4.120 -0.001 0.000 0.295 12 V C -0.301 175.712 176.094 -0.134 0.000 1.025 12 V CA -0.594 61.608 62.300 -0.164 0.000 0.859 12 V CB 1.833 33.589 31.823 -0.112 0.000 0.988 12 V HN 0.631 nan 8.190 nan 0.000 0.431 13 L N 4.715 125.843 121.223 -0.158 0.000 2.265 13 L HA 0.840 5.180 4.340 -0.001 0.000 0.289 13 L C 0.671 177.495 176.870 -0.077 0.000 1.033 13 L CA -0.135 54.644 54.840 -0.102 0.000 0.814 13 L CB 1.054 43.044 42.059 -0.114 0.000 1.203 13 L HN 0.976 nan 8.230 nan 0.000 0.423 14 G N 2.696 111.479 108.800 -0.029 0.000 2.784 14 G HA2 0.143 4.103 3.960 -0.001 0.000 0.686 14 G HA3 0.143 4.103 3.960 -0.001 0.000 0.686 14 G C -0.447 174.473 174.900 0.033 0.000 1.156 14 G CA -0.302 44.790 45.100 -0.014 0.000 0.757 14 G HN 0.893 nan 8.290 nan 0.000 0.642 15 A N 1.181 124.036 122.820 0.059 0.000 2.705 15 A HA 0.814 5.133 4.320 -0.001 0.000 0.294 15 A C 1.165 178.764 177.584 0.025 0.000 1.039 15 A CA 1.105 53.232 52.037 0.149 0.000 1.005 15 A CB -0.086 19.062 19.000 0.246 0.000 1.192 15 A HN 2.184 nan 8.150 nan 0.000 0.513 16 G N -1.042 107.733 108.800 -0.042 0.000 2.510 16 G HA2 0.407 4.367 3.960 -0.001 0.000 0.280 16 G HA3 0.407 4.367 3.960 -0.001 0.000 0.280 16 G C 0.892 175.745 174.900 -0.078 0.000 1.386 16 G CA -0.049 44.976 45.100 -0.125 0.000 1.047 16 G HN 0.488 nan 8.290 nan 0.000 0.527 17 L N 0.235 121.392 121.223 -0.110 0.000 2.079 17 L HA -0.019 4.321 4.340 -0.001 0.000 0.210 17 L C 2.950 179.760 176.870 -0.099 0.000 1.081 17 L CA 2.784 57.560 54.840 -0.106 0.000 0.752 17 L CB -0.768 41.194 42.059 -0.162 0.000 0.896 17 L HN 0.524 nan 8.230 nan 0.000 0.433 18 A N -1.486 121.270 122.820 -0.107 0.000 1.877 18 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 18 A C 2.515 180.088 177.584 -0.019 0.000 1.186 18 A CA 1.991 53.968 52.037 -0.099 0.000 0.620 18 A CB -1.278 17.644 19.000 -0.130 0.000 0.822 18 A HN 0.549 nan 8.150 nan 0.000 0.443 19 S N -0.576 115.123 115.700 -0.002 0.000 2.353 19 S HA -0.160 4.309 4.470 -0.001 0.000 0.222 19 S C 1.934 176.654 174.600 0.200 0.000 1.035 19 S CA 1.922 60.170 58.200 0.080 0.000 1.025 19 S CB -0.617 62.633 63.200 0.084 0.000 0.902 19 S HN 0.315 nan 8.310 nan 0.000 0.440 20 V N 1.509 121.542 119.914 0.198 0.000 2.343 20 V HA -0.129 3.991 4.120 -0.001 0.000 0.247 20 V C 2.691 178.880 176.094 0.157 0.000 1.051 20 V CA 2.203 64.659 62.300 0.260 0.000 1.036 20 V CB -1.048 30.867 31.823 0.154 0.000 0.654 20 V HN 0.513 nan 8.190 nan 0.000 0.451 21 S N -0.300 115.446 115.700 0.078 0.000 2.383 21 S HA -0.168 4.302 4.470 -0.001 0.000 0.227 21 S C 1.755 176.392 174.600 0.061 0.000 1.026 21 S CA 1.759 59.978 58.200 0.031 0.000 0.981 21 S CB -0.447 62.725 63.200 -0.047 0.000 0.818 21 S HN 0.623 nan 8.310 nan 0.000 0.472 22 F N 3.117 123.032 119.950 -0.058 0.000 2.113 22 F HA -0.145 4.382 4.527 -0.001 0.000 0.297 22 F C 2.269 178.034 175.800 -0.058 0.000 1.103 22 F CA 1.486 59.440 58.000 -0.077 0.000 1.248 22 F CB -0.553 38.386 39.000 -0.103 0.000 0.999 22 F HN 0.086 nan 8.300 nan 0.000 0.475 23 V N -0.509 119.399 119.914 -0.011 0.000 2.515 23 V HA -0.066 4.054 4.120 -0.001 0.000 0.250 23 V C 2.395 178.426 176.094 -0.106 0.000 1.058 23 V CA 1.482 63.700 62.300 -0.138 0.000 1.064 23 V CB -1.967 29.829 31.823 -0.046 0.000 0.675 23 V HN 0.386 nan 8.190 nan 0.000 0.461 24 A N 0.669 123.480 122.820 -0.015 0.000 1.898 24 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 24 A C 2.204 179.751 177.584 -0.062 0.000 1.181 24 A CA 1.958 53.994 52.037 -0.001 0.000 0.620 24 A CB -0.621 18.403 19.000 0.041 0.000 0.819 24 A HN 0.653 nan 8.150 nan 0.000 0.442 25 E N 0.234 120.365 120.200 -0.116 0.000 2.106 25 E HA -0.087 4.263 4.350 -0.001 0.000 0.192 25 E C 1.810 178.297 176.600 -0.188 0.000 0.984 25 E CA 0.928 57.249 56.400 -0.133 0.000 0.806 25 E CB -0.411 29.215 29.700 -0.124 0.000 0.750 25 E HN 0.586 nan 8.360 nan 0.000 0.458 26 L N 0.125 121.153 121.223 -0.325 0.000 2.012 26 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 26 L C 2.674 179.502 176.870 -0.070 0.000 1.073 26 L CA 1.430 56.103 54.840 -0.278 0.000 0.748 26 L CB -0.458 41.362 42.059 -0.399 0.000 0.891 26 L HN 0.145 nan 8.230 nan 0.000 0.431 27 R N -0.229 120.239 120.500 -0.053 0.000 2.075 27 R HA -0.122 4.218 4.340 -0.001 0.000 0.232 27 R C 2.203 178.488 176.300 -0.025 0.000 1.126 27 R CA 1.027 57.116 56.100 -0.019 0.000 0.963 27 R CB -0.588 29.702 30.300 -0.016 0.000 0.858 27 R HN 0.453 nan 8.270 nan 0.000 0.435 28 Q N 0.128 119.908 119.800 -0.032 0.000 2.167 28 Q HA 0.025 4.364 4.340 -0.001 0.000 0.202 28 Q C 1.907 177.892 176.000 -0.023 0.000 0.970 28 Q CA 1.425 57.214 55.803 -0.022 0.000 0.855 28 Q CB -0.288 28.440 28.738 -0.017 0.000 0.911 28 Q HN 0.292 nan 8.270 nan 0.000 0.438 29 A N -0.364 122.435 122.820 -0.035 0.000 2.168 29 A HA 0.243 4.563 4.320 -0.001 0.000 0.215 29 A C 1.532 179.106 177.584 -0.016 0.000 1.152 29 A CA 1.377 53.395 52.037 -0.031 0.000 0.716 29 A CB -0.162 18.805 19.000 -0.054 0.000 0.794 29 A HN 0.450 nan 8.150 nan 0.000 0.465 30 G N -2.922 105.873 108.800 -0.008 0.000 2.192 30 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.193 30 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.193 30 G C 0.038 174.944 174.900 0.011 0.000 0.999 30 G CA 0.034 45.129 45.100 -0.007 0.000 0.659 30 G HN 0.809 nan 8.290 nan 0.000 0.503 31 Y N 2.181 122.424 120.300 -0.094 0.000 2.465 31 Y HA 0.511 5.061 4.550 -0.001 0.000 0.331 31 Y C 1.116 176.966 175.900 -0.083 0.000 1.102 31 Y CA 0.382 58.425 58.100 -0.096 0.000 1.358 31 Y CB 0.897 39.279 38.460 -0.129 0.000 1.213 31 Y HN 0.128 nan 8.280 nan 0.000 0.525 32 Q N 4.619 124.000 119.800 -0.699 0.000 2.189 32 Q HA 0.236 4.576 4.340 -0.001 0.000 0.223 32 Q C 0.674 176.248 176.000 -0.710 0.000 0.828 32 Q CA 0.359 55.831 55.803 -0.551 0.000 0.967 32 Q CB 1.153 29.723 28.738 -0.280 0.000 1.139 32 Q HN 0.953 nan 8.270 nan 0.000 0.497 33 G N 0.456 108.434 108.800 -1.369 0.000 2.563 33 G HA2 0.410 4.370 3.960 -0.001 0.000 0.283 33 G HA3 0.410 4.370 3.960 -0.001 0.000 0.283 33 G C -0.099 174.572 174.900 -0.381 0.000 1.309 33 G CA -0.628 44.038 45.100 -0.722 0.000 1.022 33 G HN 0.133 nan 8.290 nan 0.000 0.501 34 L N -0.272 120.920 121.223 -0.052 0.000 2.490 34 L HA 0.250 4.590 4.340 -0.001 0.000 0.274 34 L C -0.108 176.839 176.870 0.128 0.000 1.201 34 L CA 0.470 55.321 54.840 0.018 0.000 0.869 34 L CB 0.409 42.484 42.059 0.028 0.000 1.123 34 L HN 0.222 nan 8.230 nan 0.000 0.484 35 I N 2.236 122.830 120.570 0.039 0.000 2.499 35 I HA 0.328 4.498 4.170 -0.001 0.000 0.288 35 I C -0.584 175.466 176.117 -0.112 0.000 1.048 35 I CA -0.245 61.056 61.300 0.001 0.000 1.062 35 I CB 2.173 40.155 38.000 -0.031 0.000 1.238 35 I HN 0.500 nan 8.210 nan 0.000 0.426 36 T N 5.187 119.675 114.554 -0.110 0.000 2.848 36 T HA 0.548 4.898 4.350 -0.001 0.000 0.285 36 T C -0.532 174.060 174.700 -0.180 0.000 0.995 36 T CA -0.536 61.474 62.100 -0.149 0.000 0.970 36 T CB 2.265 71.098 68.868 -0.060 0.000 0.976 36 T HN 0.148 nan 8.240 nan 0.000 0.441 37 V N 3.425 123.185 119.914 -0.257 0.000 2.448 37 V HA 0.501 4.620 4.120 -0.001 0.000 0.295 37 V C -0.295 175.785 176.094 -0.024 0.000 1.025 37 V CA -0.783 61.405 62.300 -0.186 0.000 0.859 37 V CB 1.874 33.478 31.823 -0.365 0.000 0.988 37 V HN 0.737 nan 8.190 nan 0.000 0.431 38 V N 3.770 123.686 119.914 0.005 0.000 2.347 38 V HA 0.782 4.902 4.120 -0.001 0.000 0.280 38 V C 0.635 176.767 176.094 0.065 0.000 1.021 38 V CA -0.236 62.089 62.300 0.040 0.000 0.847 38 V CB 1.457 33.291 31.823 0.018 0.000 0.990 38 V HN 0.977 nan 8.190 nan 0.000 0.444 39 G N 2.627 111.486 108.800 0.098 0.000 2.626 39 G HA2 0.487 4.447 3.960 -0.001 0.000 0.304 39 G HA3 0.487 4.447 3.960 -0.001 0.000 0.304 39 G C 0.298 175.242 174.900 0.073 0.000 1.385 39 G CA -0.365 44.790 45.100 0.092 0.000 0.957 39 G HN 0.717 nan 8.290 nan 0.000 0.504 40 D N 1.395 121.826 120.400 0.053 0.000 2.224 40 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 40 D C 0.528 176.862 176.300 0.056 0.000 0.965 40 D CA 0.642 54.671 54.000 0.049 0.000 0.852 40 D CB 0.113 40.934 40.800 0.036 0.000 0.947 40 D HN 0.511 nan 8.370 nan 0.000 0.494 41 E N 0.195 120.435 120.200 0.067 0.000 2.316 41 E HA 0.395 4.744 4.350 -0.001 0.000 0.275 41 E C -0.369 176.282 176.600 0.084 0.000 1.029 41 E CA -0.332 56.119 56.400 0.085 0.000 0.871 41 E CB 1.174 30.954 29.700 0.133 0.000 1.022 41 E HN 0.222 nan 8.360 nan 0.000 0.418 42 A N 4.904 127.764 122.820 0.067 0.000 3.063 42 A HA 0.073 4.393 4.320 -0.001 0.000 0.263 42 A C -0.308 177.308 177.584 0.052 0.000 1.736 42 A CA -0.011 52.060 52.037 0.056 0.000 1.408 42 A CB -0.072 18.954 19.000 0.042 0.000 1.108 42 A HN 0.423 nan 8.150 nan 0.000 0.621 43 E N 0.355 120.601 120.200 0.076 0.000 2.308 43 E HA 0.226 4.575 4.350 -0.001 0.000 0.275 43 E C -0.746 175.900 176.600 0.076 0.000 0.890 43 E CA -0.967 55.479 56.400 0.077 0.000 0.754 43 E CB 1.666 31.448 29.700 0.138 0.000 1.207 43 E HN 0.527 nan 8.360 nan 0.000 0.426 44 R N 2.724 123.239 120.500 0.025 0.000 2.504 44 R HA 0.055 4.394 4.340 -0.001 0.000 0.291 44 R C -2.335 173.984 176.300 0.031 0.000 0.974 44 R CA -0.510 55.571 56.100 -0.032 0.000 1.077 44 R CB -0.202 30.070 30.300 -0.047 0.000 0.926 44 R HN 0.128 nan 8.270 nan 0.000 0.407 45 P HA -0.041 nan 4.420 nan 0.000 0.263 45 P C -1.546 175.771 177.300 0.028 0.000 1.175 45 P CA 0.723 63.767 63.100 -0.092 0.000 0.761 45 P CB 0.099 31.629 31.700 -0.283 0.000 0.794 46 Y N -0.325 119.941 120.300 -0.057 0.000 2.588 46 Y HA 0.671 5.220 4.550 -0.001 0.000 0.343 46 Y C -0.863 175.044 175.900 0.012 0.000 1.065 46 Y CA -1.581 56.501 58.100 -0.029 0.000 1.038 46 Y CB 1.046 39.474 38.460 -0.052 0.000 1.297 46 Y HN 0.090 nan 8.280 nan 0.000 0.467 47 D N 1.047 121.559 120.400 0.185 0.000 2.210 47 D HA 0.358 4.998 4.640 -0.001 0.000 0.249 47 D C 0.492 176.924 176.300 0.219 0.000 1.062 47 D CA -0.400 53.705 54.000 0.175 0.000 0.891 47 D CB 1.519 42.480 40.800 0.269 0.000 1.186 47 D HN 0.749 nan 8.370 nan 0.000 0.432 48 R N 2.691 123.283 120.500 0.153 0.000 2.112 48 R HA 0.032 4.372 4.340 -0.001 0.000 0.216 48 R C -0.954 175.415 176.300 0.115 0.000 1.080 48 R CA 0.504 56.686 56.100 0.136 0.000 0.996 48 R CB -0.712 29.625 30.300 0.062 0.000 0.902 48 R HN 0.380 nan 8.270 nan 0.000 0.449 49 P HA -0.095 nan 4.420 nan 0.000 0.216 49 P C -1.620 175.741 177.300 0.101 0.000 1.150 49 P CA 1.441 64.597 63.100 0.093 0.000 0.843 49 P CB -0.815 30.964 31.700 0.131 0.000 0.787 50 P HA -0.117 nan 4.420 nan 0.000 0.221 50 P C 1.327 178.700 177.300 0.122 0.000 1.145 50 P CA 1.076 64.255 63.100 0.132 0.000 0.795 50 P CB -0.572 31.231 31.700 0.172 0.000 0.775 51 L N -0.774 120.483 121.223 0.056 0.000 2.131 51 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 51 L C 1.851 178.773 176.870 0.088 0.000 1.092 51 L CA 1.870 56.716 54.840 0.009 0.000 0.759 51 L CB -0.917 41.102 42.059 -0.066 0.000 0.903 51 L HN 0.119 nan 8.230 nan 0.000 0.435 52 S N -2.415 113.324 115.700 0.065 0.000 2.572 52 S HA 0.223 4.692 4.470 -0.001 0.000 0.228 52 S C 0.674 175.309 174.600 0.059 0.000 0.963 52 S CA -0.558 57.675 58.200 0.055 0.000 0.939 52 S CB 0.376 63.595 63.200 0.031 0.000 0.804 52 S HN 0.326 nan 8.310 nan 0.000 0.480 53 K N 1.047 121.489 120.400 0.071 0.000 3.064 53 K HA 0.369 4.688 4.320 -0.001 0.000 0.289 53 K C 0.148 176.761 176.600 0.023 0.000 0.975 53 K CA -0.403 55.919 56.287 0.059 0.000 1.380 53 K CB -0.138 32.409 32.500 0.078 0.000 3.395 53 K HN -0.158 nan 8.250 nan 0.000 1.073 54 D N 0.982 121.395 120.400 0.021 0.000 2.263 54 D HA -0.127 4.513 4.640 -0.001 0.000 0.208 54 D C 1.492 177.520 176.300 -0.453 0.000 0.971 54 D CA 0.919 54.874 54.000 -0.076 0.000 0.867 54 D CB -0.115 40.740 40.800 0.093 0.000 0.929 54 D HN 0.202 nan 8.370 nan 0.000 0.492 55 F N 1.067 120.749 119.950 -0.446 0.000 2.202 55 F HA -0.208 4.319 4.527 -0.000 0.000 0.301 55 F C 2.081 177.646 175.800 -0.392 0.000 1.082 55 F CA 1.072 58.734 58.000 -0.562 0.000 1.313 55 F CB -0.057 38.839 39.000 -0.173 0.000 1.024 55 F HN -0.152 nan 8.300 nan 0.000 0.495 56 M N -0.135 119.358 119.600 -0.178 0.000 2.358 56 M HA -0.113 4.367 4.480 -0.001 0.000 0.264 56 M C 2.306 178.455 176.300 -0.250 0.000 1.064 56 M CA 1.352 56.549 55.300 -0.173 0.000 1.093 56 M CB -1.727 30.847 32.600 -0.043 0.000 1.401 56 M HN 0.358 nan 8.290 nan 0.000 0.440 57 A N -0.057 122.591 122.820 -0.287 0.000 1.850 57 A HA -0.113 4.207 4.320 -0.001 0.000 0.212 57 A C 1.755 179.204 177.584 -0.225 0.000 1.208 57 A CA 1.534 53.447 52.037 -0.206 0.000 0.609 57 A CB -0.846 18.086 19.000 -0.112 0.000 0.860 57 A HN 0.616 nan 8.150 nan 0.000 0.448 58 H N -2.999 115.956 119.070 -0.192 0.000 2.547 58 H HA 0.395 4.950 4.556 -0.001 0.000 0.272 58 H C 1.322 176.457 175.328 -0.322 0.000 0.971 58 H CA 0.594 56.526 56.048 -0.194 0.000 1.245 58 H CB -0.716 28.981 29.762 -0.109 0.000 1.440 58 H HN 0.682 nan 8.280 nan 0.000 0.540 59 G N 0.479 108.897 108.800 -0.636 0.000 2.187 59 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.261 59 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.261 59 G C -0.291 174.399 174.900 -0.351 0.000 1.000 59 G CA 0.546 45.074 45.100 -0.953 0.000 0.718 59 G HN 0.689 nan 8.290 nan 0.000 0.519 60 D N 0.108 120.625 120.400 0.195 0.000 2.443 60 D HA 0.655 5.295 4.640 -0.001 0.000 0.221 60 D C 1.322 177.850 176.300 0.379 0.000 1.097 60 D CA 0.223 54.355 54.000 0.220 0.000 0.865 60 D CB 0.590 41.394 40.800 0.006 0.000 1.034 60 D HN 0.284 nan 8.370 nan 0.000 0.511 61 A N 4.040 127.084 122.820 0.373 0.000 2.121 61 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 61 A C 1.549 179.200 177.584 0.113 0.000 1.154 61 A CA 0.801 52.982 52.037 0.241 0.000 0.679 61 A CB -0.053 18.991 19.000 0.073 0.000 0.795 61 A HN 0.449 nan 8.150 nan 0.000 0.458 62 E N 0.251 120.501 120.200 0.082 0.000 2.511 62 E HA -0.023 4.327 4.350 -0.001 0.000 0.196 62 E C 1.076 177.691 176.600 0.025 0.000 1.066 62 E CA 0.571 56.992 56.400 0.035 0.000 0.871 62 E CB -0.107 29.600 29.700 0.011 0.000 0.863 62 E HN 0.653 nan 8.360 nan 0.000 0.520 63 K N 0.472 120.896 120.400 0.040 0.000 2.393 63 K HA 0.177 4.496 4.320 -0.001 0.000 0.193 63 K C 1.708 178.366 176.600 0.097 0.000 1.026 63 K CA 0.238 56.536 56.287 0.018 0.000 1.064 63 K CB 0.386 32.809 32.500 -0.129 0.000 0.833 63 K HN 0.184 nan 8.250 nan 0.000 0.521 64 I N -2.735 117.913 120.570 0.130 0.000 4.240 64 I HA 0.236 4.405 4.170 -0.001 0.000 0.331 64 I C -0.256 175.949 176.117 0.147 0.000 1.381 64 I CA -0.696 60.695 61.300 0.151 0.000 1.136 64 I CB 0.399 38.496 38.000 0.162 0.000 1.137 64 I HN -0.209 nan 8.210 nan 0.000 0.411 65 R N 2.259 122.822 120.500 0.105 0.000 2.643 65 R HA 0.430 4.770 4.340 -0.001 0.000 0.270 65 R C -0.333 176.010 176.300 0.072 0.000 1.061 65 R CA -0.344 55.810 56.100 0.090 0.000 1.107 65 R CB 0.933 31.255 30.300 0.036 0.000 0.999 65 R HN 0.317 nan 8.270 nan 0.000 0.460 66 L N 1.505 122.754 121.223 0.043 0.000 2.371 66 L HA 0.097 4.436 4.340 -0.001 0.000 0.272 66 L C 0.651 177.513 176.870 -0.014 0.000 1.124 66 L CA -0.505 54.349 54.840 0.023 0.000 0.816 66 L CB 0.497 42.550 42.059 -0.011 0.000 1.129 66 L HN 0.420 nan 8.230 nan 0.000 0.448 67 D N 1.283 121.692 120.400 0.014 0.000 2.325 67 D HA 0.115 4.755 4.640 -0.001 0.000 0.251 67 D C 0.022 176.325 176.300 0.004 0.000 1.196 67 D CA -0.296 53.708 54.000 0.006 0.000 0.866 67 D CB 1.059 41.878 40.800 0.031 0.000 1.101 67 D HN 0.465 nan 8.370 nan 0.000 0.476 68 C N 4.682 123.968 119.300 -0.025 0.000 2.780 68 C HA 0.096 4.555 4.460 -0.001 0.000 0.287 68 C C 2.035 177.083 174.990 0.096 0.000 1.288 68 C CA -0.492 58.544 59.018 0.030 0.000 1.713 68 C CB -0.938 26.729 27.740 -0.122 0.000 1.955 68 C HN 0.691 nan 8.230 nan 0.000 0.613 69 K N 1.026 121.460 120.400 0.057 0.000 2.296 69 K HA 0.002 4.321 4.320 -0.001 0.000 0.200 69 K C 1.590 178.228 176.600 0.063 0.000 1.048 69 K CA 0.856 57.179 56.287 0.060 0.000 0.966 69 K CB -0.188 32.334 32.500 0.037 0.000 0.754 69 K HN 0.392 nan 8.250 nan 0.000 0.466 70 R N 0.632 121.169 120.500 0.063 0.000 2.323 70 R HA 0.102 4.442 4.340 -0.001 0.000 0.198 70 R C 0.264 176.603 176.300 0.064 0.000 0.988 70 R CA 0.472 56.603 56.100 0.052 0.000 1.041 70 R CB 0.308 30.632 30.300 0.041 0.000 0.926 70 R HN 0.216 nan 8.270 nan 0.000 0.476 71 A N 2.163 125.050 122.820 0.112 0.000 3.215 71 A HA 0.301 4.621 4.320 -0.001 0.000 0.320 71 A C -2.346 175.324 177.584 0.143 0.000 1.084 71 A CA -1.477 50.641 52.037 0.136 0.000 0.969 71 A CB 0.109 19.260 19.000 0.252 0.000 1.064 71 A HN -0.041 nan 8.150 nan 0.000 0.513 72 P HA 0.178 nan 4.420 nan 0.000 0.274 72 P C -0.270 177.054 177.300 0.041 0.000 1.246 72 P CA 0.415 63.558 63.100 0.072 0.000 0.795 72 P CB 0.545 32.266 31.700 0.036 0.000 1.006 73 E N -2.216 118.008 120.200 0.040 0.000 2.416 73 E HA -0.111 4.238 4.350 -0.001 0.000 0.249 73 E C -0.763 175.815 176.600 -0.036 0.000 1.124 73 E CA 0.574 56.974 56.400 -0.000 0.000 0.732 73 E CB -2.080 27.600 29.700 -0.034 0.000 1.286 73 E HN 0.227 nan 8.360 nan 0.000 0.394 74 V N 0.688 120.582 119.914 -0.032 0.000 2.495 74 V HA 0.269 4.389 4.120 -0.001 0.000 0.298 74 V C 0.466 176.411 176.094 -0.249 0.000 1.031 74 V CA -0.596 61.561 62.300 -0.238 0.000 0.871 74 V CB 1.912 33.446 31.823 -0.482 0.000 0.988 74 V HN 0.188 nan 8.190 nan 0.000 0.432 75 E N 3.934 123.982 120.200 -0.253 0.000 2.130 75 E HA 0.280 4.630 4.350 -0.001 0.000 0.284 75 E C -1.549 174.916 176.600 -0.224 0.000 1.018 75 E CA -0.488 55.838 56.400 -0.124 0.000 0.817 75 E CB 0.679 30.354 29.700 -0.043 0.000 1.078 75 E HN 0.607 nan 8.360 nan 0.000 0.396 76 W N 5.870 127.186 121.300 0.027 0.000 2.291 76 W HA 0.316 4.976 4.660 -0.000 0.000 0.312 76 W C -0.605 175.929 176.519 0.026 0.000 1.061 76 W CA -0.641 56.720 57.345 0.026 0.000 1.296 76 W CB 0.675 30.150 29.460 0.026 0.000 1.223 76 W HN 0.390 nan 8.180 nan 0.000 0.421 77 L N 5.913 127.250 121.223 0.191 0.000 2.358 77 L HA 0.305 4.645 4.340 -0.001 0.000 0.274 77 L C -0.039 176.914 176.870 0.139 0.000 1.136 77 L CA -0.360 54.559 54.840 0.132 0.000 0.970 77 L CB -0.429 41.676 42.059 0.077 0.000 1.314 77 L HN 0.310 nan 8.230 nan 0.000 0.427 78 L N 2.175 123.484 121.223 0.145 0.000 2.375 78 L HA 0.456 4.796 4.340 -0.001 0.000 0.271 78 L C 1.327 178.247 176.870 0.083 0.000 1.107 78 L CA -0.172 54.739 54.840 0.118 0.000 0.806 78 L CB 0.982 43.103 42.059 0.104 0.000 1.146 78 L HN 0.756 nan 8.230 nan 0.000 0.447 79 G N 2.217 111.061 108.800 0.073 0.000 2.160 79 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.251 79 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.251 79 G C -0.267 174.664 174.900 0.053 0.000 1.008 79 G CA 0.005 45.139 45.100 0.058 0.000 0.724 79 G HN 0.370 nan 8.290 nan 0.000 0.514 80 V N 0.389 120.338 119.914 0.057 0.000 2.540 80 V HA 0.685 4.804 4.120 -0.001 0.000 0.302 80 V C 0.333 176.454 176.094 0.046 0.000 1.035 80 V CA -0.380 61.950 62.300 0.050 0.000 0.873 80 V CB 2.051 33.906 31.823 0.054 0.000 0.992 80 V HN 0.263 nan 8.190 nan 0.000 0.428 81 T N 4.009 118.587 114.554 0.041 0.000 2.767 81 T HA 0.588 4.938 4.350 -0.001 0.000 0.284 81 T C 0.270 174.994 174.700 0.041 0.000 0.973 81 T CA -0.181 61.942 62.100 0.037 0.000 0.996 81 T CB 1.424 70.311 68.868 0.033 0.000 0.927 81 T HN 0.933 nan 8.240 nan 0.000 0.456 82 A N 3.263 126.108 122.820 0.043 0.000 2.451 82 A HA 0.220 4.540 4.320 -0.001 0.000 0.266 82 A C 1.104 178.725 177.584 0.061 0.000 1.119 82 A CA -0.193 51.879 52.037 0.057 0.000 0.786 82 A CB 0.206 19.240 19.000 0.057 0.000 1.061 82 A HN 0.964 nan 8.150 nan 0.000 0.503 83 Q N 1.070 120.908 119.800 0.062 0.000 2.297 83 Q HA 0.116 4.456 4.340 -0.001 0.000 0.203 83 Q C 0.325 176.352 176.000 0.045 0.000 0.931 83 Q CA 1.018 56.849 55.803 0.046 0.000 0.885 83 Q CB 0.251 29.009 28.738 0.034 0.000 0.991 83 Q HN 0.974 nan 8.270 nan 0.000 0.498 84 S N -0.659 115.086 115.700 0.074 0.000 2.615 84 S HA 0.590 5.059 4.470 -0.001 0.000 0.268 84 S C -1.276 173.427 174.600 0.172 0.000 1.146 84 S CA -1.129 57.099 58.200 0.047 0.000 0.818 84 S CB 0.873 64.061 63.200 -0.020 0.000 1.111 84 S HN 0.250 nan 8.310 nan 0.000 0.465 85 F N -0.443 119.523 119.950 0.026 0.000 2.599 85 F HA 0.840 5.367 4.527 -0.001 0.000 0.311 85 F C -1.166 174.669 175.800 0.058 0.000 1.076 85 F CA -0.796 57.244 58.000 0.065 0.000 0.937 85 F CB 1.464 40.510 39.000 0.076 0.000 1.282 85 F HN 0.590 nan 8.300 nan 0.000 0.460 86 D N 3.594 124.134 120.400 0.234 0.000 2.460 86 D HA 0.350 4.990 4.640 -0.001 0.000 0.232 86 D C -2.009 174.377 176.300 0.144 0.000 1.079 86 D CA -2.550 51.499 54.000 0.081 0.000 0.864 86 D CB 2.028 42.854 40.800 0.043 0.000 1.048 86 D HN 0.326 nan 8.370 nan 0.000 0.523 87 P HA -0.045 nan 4.420 nan 0.000 0.233 87 P C 0.907 178.042 177.300 -0.276 0.000 1.167 87 P CA 0.716 63.858 63.100 0.070 0.000 0.770 87 P CB 0.795 32.604 31.700 0.181 0.000 0.837 88 Q N 0.062 119.781 119.800 -0.135 0.000 2.061 88 Q HA 0.091 4.430 4.340 -0.001 0.000 0.195 88 Q C 2.320 178.312 176.000 -0.014 0.000 0.967 88 Q CA 1.354 57.111 55.803 -0.077 0.000 0.829 88 Q CB -0.546 28.183 28.738 -0.014 0.000 0.900 88 Q HN 0.148 nan 8.270 nan 0.000 0.450 89 A N 0.088 122.897 122.820 -0.018 0.000 2.168 89 A HA -0.084 4.236 4.320 -0.001 0.000 0.215 89 A C -0.424 177.177 177.584 0.027 0.000 1.152 89 A CA 0.539 52.595 52.037 0.031 0.000 0.716 89 A CB -0.511 18.499 19.000 0.018 0.000 0.794 89 A HN 0.536 nan 8.150 nan 0.000 0.465 90 H N 0.151 119.086 119.070 -0.226 0.000 2.750 90 H HA -0.117 4.439 4.556 -0.000 0.000 0.327 90 H C 0.182 175.174 175.328 -0.560 0.000 1.199 90 H CA 0.852 56.452 56.048 -0.747 0.000 1.149 90 H CB -2.145 27.158 29.762 -0.766 0.000 1.543 90 H HN 0.676 nan 8.280 nan 0.000 0.427 91 T N -2.976 111.564 114.554 -0.024 0.000 2.896 91 T HA 0.763 5.112 4.350 -0.001 0.000 0.297 91 T C -0.361 174.540 174.700 0.336 0.000 1.108 91 T CA -0.788 61.408 62.100 0.160 0.000 1.004 91 T CB 2.578 71.501 68.868 0.091 0.000 1.159 91 T HN 0.098 nan 8.240 nan 0.000 0.499 92 V N 1.124 121.203 119.914 0.275 0.000 2.540 92 V HA 0.782 4.902 4.120 -0.001 0.000 0.302 92 V C 0.292 176.475 176.094 0.148 0.000 1.035 92 V CA -1.069 61.374 62.300 0.237 0.000 0.873 92 V CB 1.391 33.318 31.823 0.173 0.000 0.992 92 V HN 1.331 nan 8.190 nan 0.000 0.428 93 A N 6.058 128.955 122.820 0.129 0.000 2.289 93 A HA 0.827 5.147 4.320 -0.001 0.000 0.298 93 A C -0.547 177.080 177.584 0.072 0.000 1.208 93 A CA -0.361 51.726 52.037 0.084 0.000 0.845 93 A CB 0.291 19.329 19.000 0.065 0.000 1.125 93 A HN 0.811 nan 8.150 nan 0.000 0.517 94 L N 2.302 123.561 121.223 0.059 0.000 2.344 94 L HA 0.325 4.664 4.340 -0.001 0.000 0.272 94 L C 1.661 178.555 176.870 0.041 0.000 1.035 94 L CA -0.362 54.508 54.840 0.050 0.000 0.807 94 L CB 1.909 43.997 42.059 0.048 0.000 1.237 94 L HN 0.934 nan 8.230 nan 0.000 0.442 95 S N -0.820 114.903 115.700 0.038 0.000 2.442 95 S HA -0.171 4.298 4.470 -0.001 0.000 0.236 95 S C 0.976 175.594 174.600 0.030 0.000 1.007 95 S CA 1.118 59.337 58.200 0.032 0.000 0.965 95 S CB -0.453 62.766 63.200 0.031 0.000 0.773 95 S HN 0.849 nan 8.310 nan 0.000 0.504 96 D N 0.129 120.548 120.400 0.033 0.000 2.328 96 D HA 0.290 4.930 4.640 -0.001 0.000 0.226 96 D C 1.393 177.710 176.300 0.028 0.000 1.066 96 D CA 0.540 54.559 54.000 0.030 0.000 0.861 96 D CB -0.499 40.320 40.800 0.033 0.000 0.912 96 D HN 0.547 nan 8.370 nan 0.000 0.521 97 G N -0.100 108.718 108.800 0.029 0.000 2.213 97 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.236 97 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.236 97 G C 0.393 175.311 174.900 0.030 0.000 0.991 97 G CA -0.256 44.860 45.100 0.027 0.000 0.629 97 G HN 0.323 nan 8.290 nan 0.000 0.517 98 R N 0.668 121.188 120.500 0.034 0.000 2.577 98 R HA 0.689 5.029 4.340 -0.001 0.000 0.269 98 R C -0.141 176.185 176.300 0.044 0.000 1.084 98 R CA 0.080 56.201 56.100 0.036 0.000 1.163 98 R CB 0.266 30.588 30.300 0.036 0.000 1.100 98 R HN 0.189 nan 8.270 nan 0.000 0.547 99 T N 1.569 116.151 114.554 0.046 0.000 2.841 99 T HA 0.526 4.876 4.350 -0.001 0.000 0.283 99 T C -0.150 174.587 174.700 0.063 0.000 1.000 99 T CA -0.616 61.519 62.100 0.058 0.000 0.977 99 T CB 1.405 70.305 68.868 0.053 0.000 0.979 99 T HN 0.192 nan 8.240 nan 0.000 0.446 100 L N 5.059 126.332 121.223 0.085 0.000 2.307 100 L HA 0.500 4.840 4.340 -0.001 0.000 0.284 100 L C -2.087 174.858 176.870 0.124 0.000 1.023 100 L CA -2.299 52.596 54.840 0.092 0.000 0.810 100 L CB 1.926 44.041 42.059 0.093 0.000 1.231 100 L HN 0.357 nan 8.230 nan 0.000 0.423 101 P HA 0.225 nan 4.420 nan 0.000 0.277 101 P C -1.747 175.652 177.300 0.165 0.000 1.240 101 P CA -0.207 62.940 63.100 0.079 0.000 0.798 101 P CB 0.927 32.647 31.700 0.034 0.000 0.979 102 Y N -2.175 118.175 120.300 0.084 0.000 2.524 102 Y HA 0.702 5.252 4.550 0.000 0.000 0.347 102 Y C 0.859 176.811 175.900 0.088 0.000 1.005 102 Y CA -0.985 57.159 58.100 0.072 0.000 1.025 102 Y CB 0.724 39.215 38.460 0.051 0.000 1.275 102 Y HN 0.391 nan 8.280 nan 0.000 0.460 103 G N 0.587 109.528 108.800 0.234 0.000 2.510 103 G HA2 0.240 4.199 3.960 -0.001 0.000 0.212 103 G HA3 0.240 4.199 3.960 -0.001 0.000 0.212 103 G C -0.287 174.821 174.900 0.348 0.000 1.151 103 G CA 0.440 45.636 45.100 0.159 0.000 0.817 103 G HN 0.587 nan 8.290 nan 0.000 0.534 104 T N 0.500 115.254 114.554 0.333 0.000 2.879 104 T HA 0.511 4.860 4.350 -0.001 0.000 0.290 104 T C -1.604 173.095 174.700 -0.002 0.000 0.993 104 T CA -0.394 61.833 62.100 0.212 0.000 0.975 104 T CB 2.464 71.356 68.868 0.040 0.000 0.981 104 T HN 0.093 nan 8.240 nan 0.000 0.439 105 L N 4.574 125.631 121.223 -0.278 0.000 2.322 105 L HA 0.821 5.161 4.340 -0.001 0.000 0.281 105 L C -1.189 175.450 176.870 -0.386 0.000 1.014 105 L CA -0.540 53.901 54.840 -0.665 0.000 0.815 105 L CB 1.475 42.648 42.059 -1.477 0.000 1.247 105 L HN 0.468 nan 8.230 nan 0.000 0.421 106 V N 6.296 125.977 119.914 -0.389 0.000 2.444 106 V HA 0.416 4.535 4.120 -0.001 0.000 0.294 106 V C -0.264 175.612 176.094 -0.364 0.000 1.022 106 V CA -0.593 61.476 62.300 -0.386 0.000 0.850 106 V CB 1.616 33.059 31.823 -0.633 0.000 0.992 106 V HN 0.576 nan 8.190 nan 0.000 0.426 107 L N 4.459 125.500 121.223 -0.303 0.000 2.255 107 L HA 0.716 5.056 4.340 -0.001 0.000 0.289 107 L C 0.552 177.302 176.870 -0.200 0.000 1.046 107 L CA -0.235 54.466 54.840 -0.233 0.000 0.816 107 L CB 1.278 43.229 42.059 -0.180 0.000 1.197 107 L HN 0.771 nan 8.230 nan 0.000 0.427 108 A N 1.207 123.920 122.820 -0.179 0.000 3.129 108 A HA 0.288 4.608 4.320 -0.001 0.000 0.282 108 A C 0.914 178.434 177.584 -0.107 0.000 0.948 108 A CA -0.276 51.666 52.037 -0.158 0.000 1.027 108 A CB -0.139 18.751 19.000 -0.184 0.000 1.123 108 A HN 0.702 nan 8.150 nan 0.000 0.485 109 T N -3.194 111.306 114.554 -0.090 0.000 3.107 109 T HA 0.450 4.800 4.350 -0.001 0.000 0.249 109 T C 1.332 175.997 174.700 -0.059 0.000 1.096 109 T CA 0.897 62.959 62.100 -0.062 0.000 1.012 109 T CB -0.134 68.707 68.868 -0.044 0.000 0.977 109 T HN 1.929 nan 8.240 nan 0.000 0.527 110 G N 1.566 110.323 108.800 -0.073 0.000 2.552 110 G HA2 0.222 4.181 3.960 -0.001 0.000 0.265 110 G HA3 0.222 4.181 3.960 -0.001 0.000 0.265 110 G C -0.125 174.739 174.900 -0.061 0.000 1.234 110 G CA -0.197 44.860 45.100 -0.071 0.000 0.944 110 G HN 1.522 nan 8.290 nan 0.000 0.568 111 A N -1.383 121.405 122.820 -0.054 0.000 2.587 111 A HA 1.059 5.379 4.320 -0.001 0.000 0.293 111 A C -0.064 177.499 177.584 -0.035 0.000 1.087 111 A CA 0.513 52.522 52.037 -0.047 0.000 0.692 111 A CB 1.237 20.205 19.000 -0.053 0.000 1.291 111 A HN 2.636 nan 8.150 nan 0.000 0.407 112 A N 1.211 124.014 122.820 -0.028 0.000 2.374 112 A HA 0.905 5.224 4.320 -0.001 0.000 0.317 112 A C -2.994 174.579 177.584 -0.018 0.000 1.094 112 A CA -1.950 50.076 52.037 -0.018 0.000 0.765 112 A CB 0.860 19.853 19.000 -0.012 0.000 1.268 112 A HN 0.481 nan 8.150 nan 0.000 0.438 113 P HA 0.128 nan 4.420 nan 0.000 0.265 113 P C -0.490 176.803 177.300 -0.011 0.000 1.193 113 P CA 0.187 63.280 63.100 -0.011 0.000 0.765 113 P CB 0.334 32.033 31.700 -0.002 0.000 0.823 114 R N 2.061 122.553 120.500 -0.015 0.000 2.570 114 R HA 0.379 4.719 4.340 -0.001 0.000 0.277 114 R C 0.497 176.791 176.300 -0.011 0.000 1.039 114 R CA -0.187 55.905 56.100 -0.013 0.000 1.065 114 R CB 0.293 30.584 30.300 -0.015 0.000 0.964 114 R HN 0.491 nan 8.270 nan 0.000 0.428 115 A N 2.949 125.763 122.820 -0.010 0.000 2.304 115 A HA 0.285 4.605 4.320 -0.001 0.000 0.271 115 A C -0.656 176.921 177.584 -0.012 0.000 1.091 115 A CA -0.575 51.455 52.037 -0.011 0.000 0.812 115 A CB 0.593 19.586 19.000 -0.011 0.000 1.056 115 A HN 0.504 nan 8.150 nan 0.000 0.489 116 L N 3.110 124.325 121.223 -0.014 0.000 2.259 116 L HA 0.431 4.770 4.340 -0.001 0.000 0.288 116 L C -1.787 175.075 176.870 -0.014 0.000 1.051 116 L CA -1.871 52.961 54.840 -0.014 0.000 0.824 116 L CB 1.033 43.083 42.059 -0.015 0.000 1.206 116 L HN 0.415 nan 8.230 nan 0.000 0.429 117 P HA -0.140 nan 4.420 nan 0.000 0.217 117 P C 1.255 178.548 177.300 -0.012 0.000 1.148 117 P CA 1.574 64.668 63.100 -0.011 0.000 0.828 117 P CB 0.046 31.741 31.700 -0.008 0.000 0.783 118 T N -3.633 110.914 114.554 -0.012 0.000 3.035 118 T HA 0.014 4.364 4.350 -0.001 0.000 0.268 118 T C 1.402 176.093 174.700 -0.015 0.000 1.109 118 T CA 0.712 62.805 62.100 -0.012 0.000 1.119 118 T CB -0.794 68.068 68.868 -0.011 0.000 0.900 118 T HN 0.088 nan 8.240 nan 0.000 0.503 119 L N -0.003 121.209 121.223 -0.018 0.000 2.667 119 L HA 0.319 4.659 4.340 -0.001 0.000 0.232 119 L C 2.426 179.281 176.870 -0.025 0.000 1.138 119 L CA -0.166 54.660 54.840 -0.022 0.000 0.921 119 L CB -0.075 41.968 42.059 -0.027 0.000 1.180 119 L HN 0.139 nan 8.230 nan 0.000 0.487 120 Q N 1.253 121.041 119.800 -0.020 0.000 2.112 120 Q HA -0.149 4.191 4.340 -0.001 0.000 0.206 120 Q C 1.785 177.772 176.000 -0.021 0.000 0.987 120 Q CA 1.880 57.672 55.803 -0.020 0.000 0.858 120 Q CB -0.223 28.506 28.738 -0.015 0.000 0.905 120 Q HN 0.410 nan 8.270 nan 0.000 0.420 121 G N -1.381 107.408 108.800 -0.019 0.000 3.820 121 G HA2 0.523 4.483 3.960 -0.001 0.000 0.293 121 G HA3 0.523 4.483 3.960 -0.001 0.000 0.293 121 G C -0.335 174.552 174.900 -0.021 0.000 1.152 121 G CA 0.162 45.251 45.100 -0.019 0.000 0.921 121 G HN 0.430 nan 8.290 nan 0.000 0.544 122 A N 0.419 123.224 122.820 -0.027 0.000 2.445 122 A HA 0.503 4.823 4.320 -0.001 0.000 0.242 122 A C 1.304 178.870 177.584 -0.031 0.000 1.075 122 A CA 0.694 52.714 52.037 -0.029 0.000 0.777 122 A CB 0.311 19.290 19.000 -0.035 0.000 1.013 122 A HN 0.582 nan 8.150 nan 0.000 0.493 123 T N -0.366 114.172 114.554 -0.026 0.000 3.269 123 T HA 0.471 4.820 4.350 -0.001 0.000 0.269 123 T C 0.059 174.745 174.700 -0.024 0.000 0.993 123 T CA -0.069 62.017 62.100 -0.023 0.000 0.909 123 T CB -0.990 67.869 68.868 -0.016 0.000 1.115 123 T HN 0.797 nan 8.240 nan 0.000 0.543 124 M N -0.877 118.704 119.600 -0.032 0.000 2.658 124 M HA 0.754 5.234 4.480 -0.001 0.000 0.295 124 M C -3.197 173.069 176.300 -0.057 0.000 1.248 124 M CA -2.347 52.934 55.300 -0.030 0.000 0.843 124 M CB 1.357 33.945 32.600 -0.020 0.000 1.749 124 M HN -0.319 nan 8.290 nan 0.000 0.464 125 P HA 0.265 nan 4.420 nan 0.000 0.266 125 P C -1.247 175.935 177.300 -0.196 0.000 1.215 125 P CA -0.171 62.849 63.100 -0.133 0.000 0.763 125 P CB 0.513 32.218 31.700 0.007 0.000 0.806 126 V N 4.991 124.691 119.914 -0.357 0.000 2.525 126 V HA 0.340 4.460 4.120 -0.001 0.000 0.299 126 V C -0.119 175.731 176.094 -0.406 0.000 1.034 126 V CA -0.561 61.586 62.300 -0.255 0.000 0.863 126 V CB 1.333 33.077 31.823 -0.131 0.000 0.999 126 V HN 0.614 nan 8.190 nan 0.000 0.423 127 H N 1.924 120.993 119.070 -0.003 0.000 2.771 127 H HA 0.736 5.292 4.556 -0.001 0.000 0.367 127 H C -0.227 175.099 175.328 -0.003 0.000 1.172 127 H CA -0.479 55.569 56.048 -0.001 0.000 1.186 127 H CB 2.648 32.412 29.762 0.003 0.000 1.790 127 H HN 0.693 nan 8.280 nan 0.000 0.556 128 T N -0.816 113.818 114.554 0.133 0.000 2.940 128 T HA 0.462 4.811 4.350 -0.001 0.000 0.288 128 T C -0.493 174.246 174.700 0.066 0.000 1.045 128 T CA -0.997 61.146 62.100 0.071 0.000 1.018 128 T CB 1.648 70.538 68.868 0.036 0.000 1.151 128 T HN 0.207 nan 8.240 nan 0.000 0.529 129 L N 1.250 122.494 121.223 0.035 0.000 2.384 129 L HA 0.694 5.033 4.340 -0.001 0.000 0.261 129 L C 0.485 177.364 176.870 0.015 0.000 1.024 129 L CA -0.402 54.451 54.840 0.022 0.000 0.899 129 L CB 0.971 43.039 42.059 0.014 0.000 1.243 129 L HN 0.827 nan 8.230 nan 0.000 0.449 130 R N 1.257 121.771 120.500 0.022 0.000 2.428 130 R HA 0.354 4.694 4.340 -0.001 0.000 0.193 130 R C 0.308 176.641 176.300 0.056 0.000 0.852 130 R CA 1.138 57.253 56.100 0.025 0.000 1.055 130 R CB 0.336 30.647 30.300 0.018 0.000 1.343 130 R HN 0.598 nan 8.270 nan 0.000 0.655 131 T N -1.662 112.929 114.554 0.061 0.000 2.948 131 T HA 0.248 4.598 4.350 -0.001 0.000 0.285 131 T C 1.020 175.718 174.700 -0.003 0.000 1.019 131 T CA -0.588 61.583 62.100 0.117 0.000 1.013 131 T CB 1.119 70.048 68.868 0.103 0.000 1.117 131 T HN 0.020 nan 8.240 nan 0.000 0.533 132 L N 0.653 121.798 121.223 -0.131 0.000 2.042 132 L HA -0.004 4.336 4.340 -0.001 0.000 0.210 132 L C 2.629 179.369 176.870 -0.218 0.000 1.076 132 L CA 2.134 56.710 54.840 -0.439 0.000 0.749 132 L CB -1.162 40.385 42.059 -0.853 0.000 0.893 132 L HN 0.996 nan 8.230 nan 0.000 0.432 133 E N -0.858 119.277 120.200 -0.108 0.000 2.058 133 E HA -0.265 4.085 4.350 -0.001 0.000 0.194 133 E C 1.725 178.314 176.600 -0.019 0.000 0.997 133 E CA 1.622 57.999 56.400 -0.039 0.000 0.801 133 E CB -0.044 29.653 29.700 -0.004 0.000 0.746 133 E HN 0.553 nan 8.360 nan 0.000 0.450 134 D N 0.188 120.581 120.400 -0.011 0.000 2.104 134 D HA -0.173 4.466 4.640 -0.001 0.000 0.194 134 D C 1.859 178.139 176.300 -0.034 0.000 0.994 134 D CA 1.493 55.491 54.000 -0.005 0.000 0.830 134 D CB -0.442 40.367 40.800 0.016 0.000 0.959 134 D HN 0.322 nan 8.370 nan 0.000 0.452 135 A N 0.975 123.777 122.820 -0.030 0.000 1.933 135 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 135 A C 2.207 179.872 177.584 0.135 0.000 1.175 135 A CA 1.324 53.382 52.037 0.035 0.000 0.628 135 A CB -0.434 18.540 19.000 -0.044 0.000 0.814 135 A HN 0.118 nan 8.150 nan 0.000 0.444 136 R N -1.110 119.466 120.500 0.127 0.000 2.075 136 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 136 R C 2.756 179.062 176.300 0.011 0.000 1.126 136 R CA 1.660 57.841 56.100 0.134 0.000 0.963 136 R CB -0.364 30.000 30.300 0.108 0.000 0.858 136 R HN 0.549 nan 8.270 nan 0.000 0.435 137 R N 1.126 121.597 120.500 -0.048 0.000 2.075 137 R HA -0.039 4.300 4.340 -0.001 0.000 0.232 137 R C 2.028 178.167 176.300 -0.269 0.000 1.126 137 R CA 1.601 57.620 56.100 -0.135 0.000 0.963 137 R CB -1.286 28.934 30.300 -0.133 0.000 0.858 137 R HN 0.209 nan 8.270 nan 0.000 0.435 138 I N 0.256 120.653 120.570 -0.288 0.000 2.202 138 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 138 I C 3.046 179.091 176.117 -0.120 0.000 1.091 138 I CA 1.360 62.505 61.300 -0.258 0.000 1.368 138 I CB -0.190 37.714 38.000 -0.160 0.000 1.058 138 I HN 0.400 nan 8.210 nan 0.000 0.410 139 Q N 1.195 120.957 119.800 -0.062 0.000 2.135 139 Q HA -0.235 4.105 4.340 -0.001 0.000 0.204 139 Q C 2.256 178.216 176.000 -0.067 0.000 0.981 139 Q CA 2.092 57.862 55.803 -0.056 0.000 0.856 139 Q CB -0.162 28.544 28.738 -0.054 0.000 0.902 139 Q HN 0.558 nan 8.270 nan 0.000 0.425 140 A N -0.393 122.390 122.820 -0.063 0.000 2.125 140 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 140 A C 1.969 179.527 177.584 -0.043 0.000 1.156 140 A CA 1.528 53.535 52.037 -0.050 0.000 0.671 140 A CB -0.519 18.459 19.000 -0.038 0.000 0.794 140 A HN 0.497 nan 8.150 nan 0.000 0.459 141 G N -1.273 107.495 108.800 -0.053 0.000 3.126 141 G HA2 0.324 4.284 3.960 -0.001 0.000 0.224 141 G HA3 0.324 4.284 3.960 -0.001 0.000 0.224 141 G C 0.609 175.493 174.900 -0.026 0.000 1.142 141 G CA -0.288 44.795 45.100 -0.029 0.000 0.759 141 G HN 0.367 nan 8.290 nan 0.000 0.550 142 L N 2.468 123.668 121.223 -0.040 0.000 2.511 142 L HA 0.261 4.601 4.340 -0.001 0.000 0.239 142 L C 1.424 178.268 176.870 -0.043 0.000 1.400 142 L CA -0.653 54.163 54.840 -0.040 0.000 1.226 142 L CB -0.834 41.197 42.059 -0.047 0.000 1.475 142 L HN 0.238 nan 8.230 nan 0.000 0.428 143 R N 1.709 122.189 120.500 -0.034 0.000 2.438 143 R HA 0.407 4.746 4.340 -0.001 0.000 0.287 143 R C -2.605 173.665 176.300 -0.051 0.000 1.077 143 R CA -1.639 54.440 56.100 -0.035 0.000 1.034 143 R CB -1.045 29.243 30.300 -0.019 0.000 0.993 143 R HN 0.068 nan 8.270 nan 0.000 0.459 144 P HA 0.102 nan 4.420 nan 0.000 0.265 144 P C -0.411 176.834 177.300 -0.091 0.000 1.193 144 P CA 0.349 63.397 63.100 -0.086 0.000 0.765 144 P CB 0.897 32.557 31.700 -0.066 0.000 0.823 145 Q N -1.163 118.526 119.800 -0.184 0.000 2.324 145 Q HA -0.197 4.143 4.340 -0.001 0.000 0.200 145 Q C 0.336 176.351 176.000 0.025 0.000 0.645 145 Q CA 1.668 57.380 55.803 -0.152 0.000 1.377 145 Q CB -2.570 26.170 28.738 0.004 0.000 1.486 145 Q HN 0.686 nan 8.270 nan 0.000 0.796 146 S N -0.361 115.333 115.700 -0.009 0.000 2.608 146 S HA 0.554 5.024 4.470 -0.001 0.000 0.261 146 S C 0.144 174.805 174.600 0.100 0.000 1.314 146 S CA -0.659 57.572 58.200 0.051 0.000 0.992 146 S CB 1.255 64.465 63.200 0.016 0.000 0.935 146 S HN 0.282 nan 8.310 nan 0.000 0.564 147 R N 0.343 120.902 120.500 0.098 0.000 2.387 147 R HA 0.561 4.901 4.340 -0.001 0.000 0.314 147 R C -1.231 175.102 176.300 0.055 0.000 0.958 147 R CA -0.727 55.434 56.100 0.101 0.000 0.846 147 R CB 1.340 31.684 30.300 0.074 0.000 1.147 147 R HN 0.593 nan 8.270 nan 0.000 0.447 148 L N 4.324 125.576 121.223 0.048 0.000 2.322 148 L HA 0.469 4.809 4.340 -0.001 0.000 0.281 148 L C -1.487 175.393 176.870 0.017 0.000 1.014 148 L CA -0.830 54.027 54.840 0.029 0.000 0.815 148 L CB 1.504 43.574 42.059 0.019 0.000 1.247 148 L HN 0.485 nan 8.230 nan 0.000 0.421 149 L N 6.350 127.579 121.223 0.010 0.000 2.296 149 L HA 0.607 4.947 4.340 -0.001 0.000 0.286 149 L C -0.947 175.917 176.870 -0.010 0.000 1.023 149 L CA 0.036 54.872 54.840 -0.007 0.000 0.812 149 L CB 1.016 43.069 42.059 -0.011 0.000 1.223 149 L HN 0.592 nan 8.230 nan 0.000 0.421 150 I N 5.669 126.222 120.570 -0.028 0.000 2.354 150 I HA 0.360 4.529 4.170 -0.001 0.000 0.292 150 I C -0.640 175.449 176.117 -0.047 0.000 0.989 150 I CA -0.815 60.466 61.300 -0.032 0.000 1.188 150 I CB 1.788 39.761 38.000 -0.045 0.000 1.342 150 I HN 0.265 nan 8.210 nan 0.000 0.457 151 V N 5.622 125.515 119.914 -0.035 0.000 2.333 151 V HA 0.794 4.913 4.120 -0.001 0.000 0.274 151 V C 0.420 176.490 176.094 -0.039 0.000 1.028 151 V CA -0.421 61.855 62.300 -0.039 0.000 0.851 151 V CB 0.494 32.301 31.823 -0.027 0.000 1.000 151 V HN 1.062 nan 8.190 nan 0.000 0.456 152 G N 3.487 112.257 108.800 -0.049 0.000 3.055 152 G HA2 0.213 4.173 3.960 -0.001 0.000 0.685 152 G HA3 0.213 4.173 3.960 -0.001 0.000 0.685 152 G C 0.109 174.978 174.900 -0.052 0.000 1.212 152 G CA -0.483 44.593 45.100 -0.040 0.000 0.822 152 G HN 1.192 nan 8.290 nan 0.000 0.610 153 G N 0.588 109.367 108.800 -0.035 0.000 3.702 153 G HA2 0.654 4.613 3.960 -0.001 0.000 0.288 153 G HA3 0.654 4.613 3.960 -0.001 0.000 0.288 153 G C 0.929 175.825 174.900 -0.006 0.000 1.193 153 G CA 0.945 46.026 45.100 -0.033 0.000 0.952 153 G HN 1.348 nan 8.290 nan 0.000 0.544 154 G N -0.429 108.359 108.800 -0.020 0.000 2.651 154 G HA2 0.339 4.299 3.960 -0.001 0.000 0.260 154 G HA3 0.339 4.299 3.960 -0.001 0.000 0.260 154 G C 1.468 176.350 174.900 -0.029 0.000 1.216 154 G CA 0.227 45.312 45.100 -0.026 0.000 0.913 154 G HN 0.550 nan 8.290 nan 0.000 0.535 155 V N -0.329 119.564 119.914 -0.036 0.000 2.324 155 V HA -0.233 3.886 4.120 -0.001 0.000 0.250 155 V C 2.560 178.640 176.094 -0.023 0.000 1.060 155 V CA 1.957 64.249 62.300 -0.014 0.000 1.042 155 V CB -0.964 30.843 31.823 -0.027 0.000 0.650 155 V HN 0.626 nan 8.190 nan 0.000 0.450 156 I N 1.751 122.293 120.570 -0.047 0.000 2.226 156 I HA -0.073 4.097 4.170 -0.001 0.000 0.245 156 I C 2.836 178.939 176.117 -0.023 0.000 1.100 156 I CA 1.695 62.975 61.300 -0.034 0.000 1.374 156 I CB -1.061 36.915 38.000 -0.041 0.000 1.057 156 I HN 0.445 nan 8.210 nan 0.000 0.413 157 G N 1.059 109.838 108.800 -0.035 0.000 2.440 157 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.218 157 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.218 157 G C 1.697 176.558 174.900 -0.065 0.000 1.154 157 G CA 0.614 45.687 45.100 -0.045 0.000 0.767 157 G HN 0.284 nan 8.290 nan 0.000 0.552 158 L N -0.052 121.123 121.223 -0.080 0.000 2.156 158 L HA 0.033 4.373 4.340 -0.001 0.000 0.208 158 L C 2.838 179.724 176.870 0.027 0.000 1.095 158 L CA 0.866 55.617 54.840 -0.148 0.000 0.770 158 L CB -0.358 41.607 42.059 -0.158 0.000 0.914 158 L HN 0.267 nan 8.230 nan 0.000 0.439 159 E N 0.139 120.372 120.200 0.054 0.000 2.077 159 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 159 E C 2.118 178.759 176.600 0.068 0.000 0.989 159 E CA 1.069 57.519 56.400 0.084 0.000 0.800 159 E CB -0.161 29.572 29.700 0.054 0.000 0.746 159 E HN 0.239 nan 8.360 nan 0.000 0.452 160 L N 1.162 122.405 121.223 0.033 0.000 2.046 160 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 160 L C 2.229 179.117 176.870 0.029 0.000 1.077 160 L CA 1.909 56.764 54.840 0.024 0.000 0.747 160 L CB -0.684 41.380 42.059 0.008 0.000 0.896 160 L HN 0.030 nan 8.230 nan 0.000 0.432 161 A N -0.352 122.480 122.820 0.020 0.000 1.892 161 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 161 A C 2.467 180.116 177.584 0.109 0.000 1.188 161 A CA 2.279 54.336 52.037 0.033 0.000 0.631 161 A CB -1.303 17.667 19.000 -0.050 0.000 0.822 161 A HN 0.584 nan 8.150 nan 0.000 0.447 162 A N -1.357 121.579 122.820 0.194 0.000 1.902 162 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 162 A C 2.313 179.956 177.584 0.098 0.000 1.181 162 A CA 2.295 54.450 52.037 0.198 0.000 0.623 162 A CB -1.292 17.866 19.000 0.264 0.000 0.818 162 A HN 0.447 nan 8.150 nan 0.000 0.443 163 T N 0.342 114.940 114.554 0.073 0.000 2.684 163 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 163 T C 2.228 176.934 174.700 0.010 0.000 1.036 163 T CA 1.749 63.868 62.100 0.032 0.000 1.148 163 T CB -0.465 68.416 68.868 0.022 0.000 0.863 163 T HN 0.598 nan 8.240 nan 0.000 0.436 164 A N 1.809 124.635 122.820 0.011 0.000 1.898 164 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 164 A C 2.396 179.968 177.584 -0.020 0.000 1.181 164 A CA 1.066 53.097 52.037 -0.010 0.000 0.620 164 A CB -0.345 18.651 19.000 -0.007 0.000 0.819 164 A HN 0.187 nan 8.150 nan 0.000 0.442 165 R N -0.368 120.132 120.500 -0.000 0.000 2.081 165 R HA -0.085 4.255 4.340 -0.001 0.000 0.235 165 R C 2.179 178.465 176.300 -0.022 0.000 1.131 165 R CA 1.819 57.911 56.100 -0.013 0.000 0.960 165 R CB -1.690 28.614 30.300 0.007 0.000 0.856 165 R HN 0.557 nan 8.270 nan 0.000 0.436 166 T N 1.285 115.836 114.554 -0.005 0.000 2.759 166 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 166 T C 1.668 176.351 174.700 -0.029 0.000 1.042 166 T CA 1.611 63.705 62.100 -0.010 0.000 1.140 166 T CB -0.187 68.683 68.868 0.003 0.000 0.864 166 T HN 0.384 nan 8.240 nan 0.000 0.455 167 A N 0.241 123.039 122.820 -0.037 0.000 2.235 167 A HA 0.479 4.799 4.320 -0.001 0.000 0.208 167 A C 1.827 179.369 177.584 -0.071 0.000 1.172 167 A CA 0.839 52.845 52.037 -0.051 0.000 0.786 167 A CB -0.807 18.162 19.000 -0.053 0.000 0.804 167 A HN 0.775 nan 8.150 nan 0.000 0.479 168 G N -1.315 107.434 108.800 -0.084 0.000 2.160 168 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.244 168 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.244 168 G C 0.037 174.803 174.900 -0.223 0.000 1.022 168 G CA 0.152 45.172 45.100 -0.133 0.000 0.741 168 G HN 0.793 nan 8.290 nan 0.000 0.508 169 V N 2.144 121.952 119.914 -0.177 0.000 2.509 169 V HA 0.402 4.521 4.120 -0.001 0.000 0.284 169 V C 0.704 176.684 176.094 -0.189 0.000 1.047 169 V CA -1.196 60.991 62.300 -0.188 0.000 0.952 169 V CB 1.284 33.059 31.823 -0.079 0.000 0.988 169 V HN 0.355 nan 8.190 nan 0.000 0.469 170 H N 3.054 122.117 119.070 -0.010 0.000 2.722 170 H HA 0.384 4.940 4.556 -0.001 0.000 0.328 170 H C -0.467 174.852 175.328 -0.014 0.000 1.067 170 H CA -0.108 55.933 56.048 -0.013 0.000 1.447 170 H CB 1.392 31.146 29.762 -0.013 0.000 1.469 170 H HN 0.357 nan 8.280 nan 0.000 0.544 171 V N 3.404 123.377 119.914 0.097 0.000 2.487 171 V HA 0.198 4.318 4.120 -0.001 0.000 0.298 171 V C 0.140 176.242 176.094 0.014 0.000 1.028 171 V CA -0.632 61.691 62.300 0.039 0.000 0.860 171 V CB 1.835 33.669 31.823 0.018 0.000 0.991 171 V HN 0.728 nan 8.190 nan 0.000 0.427 172 S N 4.827 120.524 115.700 -0.006 0.000 2.549 172 S HA 0.826 5.296 4.470 -0.001 0.000 0.297 172 S C -0.711 173.850 174.600 -0.064 0.000 1.115 172 S CA -0.532 57.645 58.200 -0.038 0.000 1.059 172 S CB 1.754 64.933 63.200 -0.035 0.000 1.046 172 S HN 0.653 nan 8.310 nan 0.000 0.506 173 L N 2.844 124.002 121.223 -0.108 0.000 2.438 173 L HA 0.683 5.023 4.340 -0.001 0.000 0.270 173 L C -1.656 175.101 176.870 -0.189 0.000 0.972 173 L CA -0.551 54.205 54.840 -0.141 0.000 0.831 173 L CB 1.453 43.411 42.059 -0.168 0.000 1.273 173 L HN 0.445 nan 8.230 nan 0.000 0.405 174 V N 3.436 123.261 119.914 -0.148 0.000 2.417 174 V HA 0.588 4.707 4.120 -0.001 0.000 0.291 174 V C -0.631 175.383 176.094 -0.133 0.000 1.024 174 V CA -0.453 61.760 62.300 -0.146 0.000 0.861 174 V CB 1.690 33.462 31.823 -0.086 0.000 0.985 174 V HN 0.738 nan 8.190 nan 0.000 0.436 175 E N 2.483 122.595 120.200 -0.148 0.000 2.256 175 E HA 0.388 4.737 4.350 -0.001 0.000 0.268 175 E C 0.791 177.403 176.600 0.020 0.000 0.877 175 E CA -0.051 56.314 56.400 -0.058 0.000 0.757 175 E CB 2.118 31.788 29.700 -0.051 0.000 1.183 175 E HN 0.707 nan 8.360 nan 0.000 0.418 176 T N 1.289 115.862 114.554 0.032 0.000 2.821 176 T HA -0.047 4.303 4.350 -0.001 0.000 0.267 176 T C 0.751 175.499 174.700 0.079 0.000 1.046 176 T CA 0.648 62.775 62.100 0.045 0.000 1.139 176 T CB -0.045 68.840 68.868 0.028 0.000 0.871 176 T HN 0.318 nan 8.240 nan 0.000 0.454 177 Q N 1.694 121.555 119.800 0.103 0.000 2.382 177 Q HA 0.259 4.599 4.340 -0.001 0.000 0.229 177 Q C -1.770 174.342 176.000 0.187 0.000 1.006 177 Q CA -2.391 53.481 55.803 0.115 0.000 0.916 177 Q CB 0.690 29.487 28.738 0.098 0.000 1.235 177 Q HN 0.203 nan 8.270 nan 0.000 0.512 178 P HA -0.037 nan 4.420 nan 0.000 0.245 178 P C -0.394 176.787 177.300 -0.199 0.000 1.212 178 P CA 0.840 63.948 63.100 0.014 0.000 0.774 178 P CB 0.460 32.139 31.700 -0.036 0.000 0.999 179 R N -1.480 119.017 120.500 -0.005 0.000 2.799 179 R HA 0.598 4.938 4.340 -0.001 0.000 0.270 179 R C -0.532 175.921 176.300 0.255 0.000 1.010 179 R CA -1.152 54.926 56.100 -0.037 0.000 0.916 179 R CB 0.786 31.064 30.300 -0.037 0.000 1.228 179 R HN -0.208 nan 8.270 nan 0.000 0.469 180 L N 1.797 123.205 121.223 0.309 0.000 2.466 180 L HA 0.287 4.626 4.340 -0.001 0.000 0.257 180 L C 0.545 177.506 176.870 0.152 0.000 1.189 180 L CA -0.493 54.495 54.840 0.246 0.000 0.813 180 L CB 0.242 42.447 42.059 0.244 0.000 1.118 180 L HN 0.793 nan 8.230 nan 0.000 0.471 181 M N 0.485 120.153 119.600 0.113 0.000 2.206 181 M HA -0.236 4.244 4.480 -0.001 0.000 0.197 181 M C 1.288 177.642 176.300 0.090 0.000 0.375 181 M CA 0.680 56.037 55.300 0.095 0.000 0.410 181 M CB -1.227 31.455 32.600 0.137 0.000 1.204 181 M HN 0.842 nan 8.290 nan 0.000 0.932 182 S N -0.991 114.753 115.700 0.074 0.000 2.419 182 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 182 S C 2.094 176.726 174.600 0.053 0.000 1.016 182 S CA 1.168 59.407 58.200 0.065 0.000 0.974 182 S CB -0.362 62.874 63.200 0.059 0.000 0.786 182 S HN 0.787 nan 8.310 nan 0.000 0.492 183 R N 1.713 122.233 120.500 0.033 0.000 2.070 183 R HA 0.466 4.805 4.340 -0.001 0.000 0.232 183 R C 1.931 178.252 176.300 0.036 0.000 1.138 183 R CA 1.657 57.765 56.100 0.013 0.000 0.936 183 R CB -1.534 28.744 30.300 -0.036 0.000 0.839 183 R HN 1.074 nan 8.270 nan 0.000 0.429 184 A N -1.164 121.692 122.820 0.060 0.000 3.045 184 A HA 0.710 5.029 4.320 -0.001 0.000 0.244 184 A C -0.053 177.690 177.584 0.265 0.000 0.917 184 A CA 0.294 52.417 52.037 0.144 0.000 1.075 184 A CB -0.094 18.985 19.000 0.132 0.000 1.202 184 A HN 1.352 nan 8.150 nan 0.000 0.486 185 A N 0.718 123.658 122.820 0.200 0.000 2.393 185 A HA 0.861 5.180 4.320 -0.001 0.000 0.306 185 A C -3.233 174.442 177.584 0.152 0.000 1.050 185 A CA -1.677 50.486 52.037 0.210 0.000 0.724 185 A CB 1.029 20.162 19.000 0.221 0.000 1.248 185 A HN 0.164 nan 8.150 nan 0.000 0.424 186 P HA 0.236 nan 4.420 nan 0.000 0.268 186 P C 1.010 178.379 177.300 0.115 0.000 1.205 186 P CA 0.522 63.692 63.100 0.117 0.000 0.771 186 P CB 0.945 32.717 31.700 0.119 0.000 0.858 187 A N 3.006 125.878 122.820 0.086 0.000 1.948 187 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 187 A C 2.026 179.660 177.584 0.083 0.000 1.177 187 A CA 2.352 54.432 52.037 0.072 0.000 0.636 187 A CB -1.809 17.217 19.000 0.043 0.000 0.815 187 A HN 0.544 nan 8.150 nan 0.000 0.449 188 T N -0.046 114.557 114.554 0.081 0.000 2.720 188 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 188 T C 1.828 176.618 174.700 0.150 0.000 1.037 188 T CA 1.549 63.692 62.100 0.071 0.000 1.144 188 T CB -0.372 68.514 68.868 0.029 0.000 0.864 188 T HN 0.362 nan 8.240 nan 0.000 0.444 189 L N 1.525 122.876 121.223 0.213 0.000 1.994 189 L HA 0.078 4.417 4.340 -0.001 0.000 0.208 189 L C 2.642 179.698 176.870 0.310 0.000 1.071 189 L CA 2.036 57.071 54.840 0.324 0.000 0.745 189 L CB -1.145 41.074 42.059 0.266 0.000 0.892 189 L HN 0.217 nan 8.230 nan 0.000 0.431 190 A N -0.782 122.168 122.820 0.216 0.000 1.908 190 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 190 A C 1.997 179.685 177.584 0.174 0.000 1.181 190 A CA 2.022 54.171 52.037 0.188 0.000 0.627 190 A CB -0.913 18.168 19.000 0.134 0.000 0.818 190 A HN 0.564 nan 8.150 nan 0.000 0.445 191 D N -1.254 119.233 120.400 0.145 0.000 2.097 191 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 191 D C 1.607 178.008 176.300 0.169 0.000 0.984 191 D CA 1.207 55.270 54.000 0.105 0.000 0.826 191 D CB -0.467 40.374 40.800 0.070 0.000 0.973 191 D HN 0.460 nan 8.370 nan 0.000 0.460 192 F N 1.370 121.377 119.950 0.095 0.000 2.134 192 F HA -0.195 4.332 4.527 -0.001 0.000 0.299 192 F C 2.136 178.062 175.800 0.210 0.000 1.097 192 F CA 0.960 59.038 58.000 0.130 0.000 1.264 192 F CB -0.318 38.769 39.000 0.144 0.000 1.001 192 F HN -0.211 nan 8.300 nan 0.000 0.479 193 V N 0.554 120.583 119.914 0.190 0.000 2.407 193 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 193 V C 2.746 178.982 176.094 0.237 0.000 1.055 193 V CA 1.719 64.126 62.300 0.178 0.000 1.049 193 V CB -1.576 30.427 31.823 0.300 0.000 0.662 193 V HN 0.495 nan 8.190 nan 0.000 0.455 194 A N -0.034 122.913 122.820 0.211 0.000 1.902 194 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 194 A C 2.386 180.051 177.584 0.136 0.000 1.181 194 A CA 1.760 53.943 52.037 0.244 0.000 0.623 194 A CB -0.479 18.680 19.000 0.266 0.000 0.818 194 A HN 0.503 nan 8.150 nan 0.000 0.443 195 R N -2.120 118.392 120.500 0.021 0.000 2.081 195 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 195 R C 2.188 178.413 176.300 -0.125 0.000 1.131 195 R CA 1.744 57.813 56.100 -0.052 0.000 0.960 195 R CB -0.615 29.643 30.300 -0.070 0.000 0.856 195 R HN 0.715 nan 8.270 nan 0.000 0.436 196 Y N 1.148 121.222 120.300 -0.377 0.000 2.097 196 Y HA -0.283 4.267 4.550 -0.001 0.000 0.282 196 Y C 2.390 178.141 175.900 -0.248 0.000 1.152 196 Y CA 1.708 59.573 58.100 -0.392 0.000 1.136 196 Y CB -0.338 37.786 38.460 -0.560 0.000 0.975 196 Y HN 0.127 nan 8.280 nan 0.000 0.498 197 H N -0.508 118.493 119.070 -0.116 0.000 2.357 197 H HA -0.067 4.489 4.556 -0.001 0.000 0.301 197 H C 2.351 177.582 175.328 -0.161 0.000 1.082 197 H CA 1.215 57.173 56.048 -0.150 0.000 1.342 197 H CB -0.583 29.195 29.762 0.026 0.000 1.389 197 H HN 0.526 nan 8.280 nan 0.000 0.511 198 A N 1.267 124.097 122.820 0.017 0.000 1.908 198 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 198 A C 2.666 180.203 177.584 -0.078 0.000 1.181 198 A CA 1.726 53.758 52.037 -0.009 0.000 0.627 198 A CB -0.757 18.261 19.000 0.030 0.000 0.818 198 A HN 0.432 nan 8.150 nan 0.000 0.445 199 A N -1.515 121.216 122.820 -0.150 0.000 2.067 199 A HA -0.086 4.234 4.320 -0.001 0.000 0.219 199 A C 1.851 179.310 177.584 -0.208 0.000 1.158 199 A CA 1.357 53.296 52.037 -0.164 0.000 0.661 199 A CB -0.238 18.657 19.000 -0.174 0.000 0.801 199 A HN 0.454 nan 8.150 nan 0.000 0.452 200 Q N -1.288 118.327 119.800 -0.307 0.000 2.365 200 Q HA 0.201 4.541 4.340 -0.001 0.000 0.203 200 Q C 1.119 177.046 176.000 -0.121 0.000 0.929 200 Q CA 0.701 56.343 55.803 -0.269 0.000 0.948 200 Q CB 0.149 28.629 28.738 -0.431 0.000 1.043 200 Q HN 0.949 nan 8.270 nan 0.000 0.505 201 G N -0.011 108.741 108.800 -0.080 0.000 2.157 201 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.239 201 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.239 201 G C 0.171 175.071 174.900 -0.001 0.000 0.982 201 G CA 0.142 45.227 45.100 -0.025 0.000 0.650 201 G HN 0.220 nan 8.290 nan 0.000 0.527 202 V N 1.470 121.384 119.914 0.001 0.000 2.521 202 V HA 0.353 4.472 4.120 -0.001 0.000 0.286 202 V C 0.597 176.686 176.094 -0.009 0.000 1.034 202 V CA 0.158 62.464 62.300 0.011 0.000 1.045 202 V CB 1.576 33.421 31.823 0.036 0.000 0.974 202 V HN 0.372 nan 8.190 nan 0.000 0.480 203 D N 5.551 125.937 120.400 -0.023 0.000 2.422 203 D HA 0.250 4.890 4.640 -0.001 0.000 0.227 203 D C -0.274 175.975 176.300 -0.085 0.000 1.190 203 D CA -0.072 53.904 54.000 -0.039 0.000 0.905 203 D CB 0.194 40.973 40.800 -0.034 0.000 1.034 203 D HN 0.419 nan 8.370 nan 0.000 0.507 204 L N 4.489 125.649 121.223 -0.105 0.000 2.305 204 L HA 0.437 4.777 4.340 -0.001 0.000 0.281 204 L C 0.641 177.331 176.870 -0.300 0.000 1.085 204 L CA -0.656 54.024 54.840 -0.267 0.000 0.813 204 L CB 0.870 42.757 42.059 -0.287 0.000 1.157 204 L HN 0.081 nan 8.230 nan 0.000 0.436 205 R N 4.296 124.555 120.500 -0.401 0.000 2.358 205 R HA 0.416 4.755 4.340 -0.001 0.000 0.309 205 R C -1.028 175.069 176.300 -0.337 0.000 1.026 205 R CA -0.440 55.509 56.100 -0.252 0.000 0.909 205 R CB 0.805 31.026 30.300 -0.132 0.000 1.153 205 R HN 0.314 nan 8.270 nan 0.000 0.515 206 F N 0.863 120.814 119.950 0.002 0.000 2.377 206 F HA 0.173 4.700 4.527 -0.001 0.000 0.328 206 F C 1.206 177.008 175.800 0.004 0.000 1.094 206 F CA -0.321 57.681 58.000 0.004 0.000 1.093 206 F CB 0.799 39.804 39.000 0.009 0.000 1.214 206 F HN 0.496 nan 8.300 nan 0.000 0.518 207 E N 0.869 121.195 120.200 0.209 0.000 2.389 207 E HA -0.228 4.122 4.350 -0.001 0.000 0.243 207 E C -0.767 175.871 176.600 0.064 0.000 1.154 207 E CA 0.144 56.612 56.400 0.114 0.000 0.723 207 E CB -0.844 28.918 29.700 0.104 0.000 1.261 207 E HN 0.333 nan 8.360 nan 0.000 0.390 208 R N -0.143 120.380 120.500 0.039 0.000 2.744 208 R HA 0.595 4.935 4.340 -0.001 0.000 0.279 208 R C -0.435 175.865 176.300 0.001 0.000 0.977 208 R CA -0.772 55.335 56.100 0.011 0.000 0.906 208 R CB 2.186 32.481 30.300 -0.008 0.000 1.197 208 R HN -0.046 nan 8.270 nan 0.000 0.463 209 S N 0.163 115.862 115.700 -0.001 0.000 2.568 209 S HA 0.460 4.929 4.470 -0.001 0.000 0.293 209 S C -0.449 174.145 174.600 -0.010 0.000 1.089 209 S CA -0.750 57.447 58.200 -0.005 0.000 0.945 209 S CB 2.478 65.679 63.200 0.001 0.000 1.077 209 S HN 0.245 nan 8.310 nan 0.000 0.485 210 V N 2.949 122.855 119.914 -0.013 0.000 2.455 210 V HA 0.179 4.299 4.120 -0.001 0.000 0.273 210 V C 1.494 177.581 176.094 -0.010 0.000 1.045 210 V CA 0.193 62.485 62.300 -0.014 0.000 0.976 210 V CB 0.575 32.388 31.823 -0.017 0.000 0.993 210 V HN 1.169 nan 8.190 nan 0.000 0.475 211 T N 1.013 115.562 114.554 -0.010 0.000 3.037 211 T HA 0.503 4.852 4.350 -0.001 0.000 0.251 211 T C 0.781 175.475 174.700 -0.009 0.000 1.079 211 T CA 0.495 62.590 62.100 -0.008 0.000 1.067 211 T CB 0.566 69.431 68.868 -0.006 0.000 0.948 211 T HN 1.122 nan 8.240 nan 0.000 0.496 212 G N 0.629 109.422 108.800 -0.011 0.000 2.367 212 G HA2 0.458 4.418 3.960 -0.001 0.000 0.272 212 G HA3 0.458 4.418 3.960 -0.001 0.000 0.272 212 G C -1.573 173.318 174.900 -0.013 0.000 1.271 212 G CA -0.263 44.830 45.100 -0.012 0.000 0.893 212 G HN 1.084 nan 8.290 nan 0.000 0.485 213 S N -1.892 113.800 115.700 -0.013 0.000 2.543 213 S HA 0.723 5.192 4.470 -0.001 0.000 0.274 213 S C -1.573 173.019 174.600 -0.012 0.000 1.149 213 S CA -0.541 57.650 58.200 -0.014 0.000 0.866 213 S CB 1.799 64.989 63.200 -0.017 0.000 1.111 213 S HN 1.641 nan 8.310 nan 0.000 0.457 214 V N 1.781 121.688 119.914 -0.011 0.000 2.569 214 V HA 0.515 4.634 4.120 -0.001 0.000 0.301 214 V C -0.406 175.683 176.094 -0.009 0.000 1.044 214 V CA -0.382 61.912 62.300 -0.010 0.000 0.874 214 V CB 1.357 33.175 31.823 -0.009 0.000 1.002 214 V HN 1.207 nan 8.190 nan 0.000 0.424 215 D N 4.075 124.470 120.400 -0.009 0.000 2.704 215 D HA -0.164 4.476 4.640 -0.001 0.000 0.232 215 D C 1.259 177.555 176.300 -0.007 0.000 1.183 215 D CA 2.243 56.238 54.000 -0.008 0.000 0.647 215 D CB -0.951 39.845 40.800 -0.006 0.000 1.013 215 D HN 1.631 nan 8.370 nan 0.000 0.415 216 G N -1.477 107.318 108.800 -0.008 0.000 2.159 216 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.256 216 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.256 216 G C 0.291 175.187 174.900 -0.007 0.000 0.977 216 G CA 0.263 45.359 45.100 -0.007 0.000 0.652 216 G HN 0.904 nan 8.290 nan 0.000 0.531 217 V N 0.673 120.581 119.914 -0.009 0.000 2.495 217 V HA 0.641 4.760 4.120 -0.001 0.000 0.298 217 V C 0.589 176.676 176.094 -0.012 0.000 1.031 217 V CA -0.976 61.318 62.300 -0.010 0.000 0.871 217 V CB 1.998 33.815 31.823 -0.010 0.000 0.988 217 V HN 0.246 nan 8.190 nan 0.000 0.432 218 V N 6.000 125.907 119.914 -0.013 0.000 2.546 218 V HA 0.408 4.528 4.120 -0.001 0.000 0.284 218 V C 0.041 176.126 176.094 -0.015 0.000 1.050 218 V CA -0.362 61.929 62.300 -0.015 0.000 0.981 218 V CB 1.342 33.155 31.823 -0.016 0.000 0.990 218 V HN 0.605 nan 8.190 nan 0.000 0.474 219 L N 5.781 126.996 121.223 -0.014 0.000 2.322 219 L HA 0.638 4.978 4.340 -0.001 0.000 0.279 219 L C -0.448 176.415 176.870 -0.012 0.000 1.036 219 L CA -0.440 54.393 54.840 -0.012 0.000 0.807 219 L CB 1.435 43.488 42.059 -0.010 0.000 1.226 219 L HN 0.411 nan 8.230 nan 0.000 0.433 220 L N 0.867 122.083 121.223 -0.011 0.000 2.303 220 L HA 0.365 4.705 4.340 -0.001 0.000 0.266 220 L C 0.447 177.314 176.870 -0.006 0.000 1.011 220 L CA -0.807 54.027 54.840 -0.010 0.000 0.818 220 L CB 1.725 43.776 42.059 -0.013 0.000 1.326 220 L HN 0.610 nan 8.230 nan 0.000 0.435 221 D N -1.035 119.363 120.400 -0.003 0.000 2.378 221 D HA -0.155 4.485 4.640 -0.001 0.000 0.227 221 D C 0.682 176.984 176.300 0.003 0.000 1.012 221 D CA 0.296 54.297 54.000 0.000 0.000 0.905 221 D CB -0.243 40.558 40.800 0.003 0.000 0.895 221 D HN 0.585 nan 8.370 nan 0.000 0.532 222 D N -0.759 119.643 120.400 0.003 0.000 2.342 222 D HA 0.172 4.812 4.640 -0.001 0.000 0.221 222 D C 1.528 177.829 176.300 0.002 0.000 1.101 222 D CA 0.138 54.141 54.000 0.005 0.000 0.837 222 D CB -0.463 40.342 40.800 0.007 0.000 0.938 222 D HN 0.241 nan 8.370 nan 0.000 0.508 223 G N 0.369 109.169 108.800 -0.001 0.000 2.147 223 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 223 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 223 G C 0.421 175.319 174.900 -0.004 0.000 1.005 223 G CA 0.738 45.837 45.100 -0.002 0.000 0.713 223 G HN 0.802 nan 8.290 nan 0.000 0.515 224 T N -2.935 111.616 114.554 -0.005 0.000 2.870 224 T HA 0.845 5.195 4.350 -0.001 0.000 0.277 224 T C -0.012 174.682 174.700 -0.010 0.000 1.000 224 T CA -0.794 61.302 62.100 -0.007 0.000 0.982 224 T CB 2.137 71.001 68.868 -0.007 0.000 1.249 224 T HN 0.451 nan 8.240 nan 0.000 0.589 225 R N -0.411 120.082 120.500 -0.012 0.000 2.686 225 R HA 0.712 5.052 4.340 -0.001 0.000 0.283 225 R C -1.098 175.191 176.300 -0.017 0.000 0.978 225 R CA -0.748 55.343 56.100 -0.014 0.000 0.897 225 R CB 2.047 32.339 30.300 -0.012 0.000 1.192 225 R HN 0.599 nan 8.270 nan 0.000 0.457 226 I N 1.802 122.361 120.570 -0.018 0.000 2.468 226 I HA 0.374 4.544 4.170 -0.001 0.000 0.285 226 I C -0.322 175.785 176.117 -0.016 0.000 1.039 226 I CA -0.864 60.425 61.300 -0.020 0.000 1.074 226 I CB 2.094 40.080 38.000 -0.024 0.000 1.228 226 I HN 0.667 nan 8.210 nan 0.000 0.436 227 A N 5.327 128.137 122.820 -0.015 0.000 2.366 227 A HA 0.840 5.160 4.320 -0.001 0.000 0.272 227 A C -0.086 177.495 177.584 -0.004 0.000 1.135 227 A CA -0.125 51.906 52.037 -0.010 0.000 0.804 227 A CB 0.528 19.521 19.000 -0.012 0.000 1.064 227 A HN 0.845 nan 8.150 nan 0.000 0.499 228 A N 1.980 124.801 122.820 0.002 0.000 2.515 228 A HA 0.626 4.946 4.320 -0.001 0.000 0.298 228 A C -0.079 177.515 177.584 0.016 0.000 1.059 228 A CA -0.563 51.481 52.037 0.011 0.000 0.698 228 A CB 1.013 20.018 19.000 0.008 0.000 1.289 228 A HN 0.666 nan 8.150 nan 0.000 0.404 229 D N 0.490 120.906 120.400 0.026 0.000 2.271 229 D HA 0.095 4.735 4.640 -0.001 0.000 0.206 229 D C 0.236 176.559 176.300 0.038 0.000 0.967 229 D CA 1.376 55.393 54.000 0.029 0.000 0.867 229 D CB 0.349 41.168 40.800 0.033 0.000 0.960 229 D HN 0.569 nan 8.370 nan 0.000 0.509 230 M N 0.682 120.309 119.600 0.045 0.000 2.371 230 M HA 0.278 4.758 4.480 -0.001 0.000 0.287 230 M C -2.156 174.179 176.300 0.057 0.000 1.149 230 M CA -0.527 54.817 55.300 0.073 0.000 0.929 230 M CB 2.870 35.529 32.600 0.098 0.000 1.683 230 M HN -0.412 nan 8.290 nan 0.000 0.470 231 V N 4.461 124.409 119.914 0.058 0.000 2.459 231 V HA 0.593 4.712 4.120 -0.001 0.000 0.295 231 V C -0.789 175.348 176.094 0.072 0.000 1.029 231 V CA -0.748 61.574 62.300 0.037 0.000 0.874 231 V CB 1.698 33.522 31.823 0.001 0.000 0.985 231 V HN 0.658 nan 8.190 nan 0.000 0.438 232 V N 5.505 125.453 119.914 0.056 0.000 2.357 232 V HA 0.382 4.502 4.120 -0.001 0.000 0.284 232 V C -0.057 176.052 176.094 0.024 0.000 1.018 232 V CA -0.600 61.737 62.300 0.062 0.000 0.841 232 V CB 1.817 33.672 31.823 0.052 0.000 0.991 232 V HN 0.627 nan 8.190 nan 0.000 0.437 233 V N 4.008 123.935 119.914 0.023 0.000 2.432 233 V HA 0.681 4.801 4.120 -0.001 0.000 0.275 233 V C 0.916 177.011 176.094 0.000 0.000 1.043 233 V CA 0.206 62.508 62.300 0.003 0.000 0.925 233 V CB 1.419 33.241 31.823 -0.002 0.000 0.985 233 V HN 1.008 nan 8.190 nan 0.000 0.466 234 G N 4.618 113.411 108.800 -0.011 0.000 4.184 234 G HA2 0.397 4.357 3.960 -0.001 0.000 0.282 234 G HA3 0.397 4.357 3.960 -0.001 0.000 0.282 234 G C 0.056 174.942 174.900 -0.023 0.000 1.223 234 G CA -0.240 44.850 45.100 -0.018 0.000 0.773 234 G HN 0.846 nan 8.290 nan 0.000 0.519 235 I N -1.124 119.434 120.570 -0.020 0.000 3.914 235 I HA 0.623 4.792 4.170 -0.001 0.000 0.333 235 I C 0.725 176.829 176.117 -0.021 0.000 1.449 235 I CA -0.112 61.177 61.300 -0.019 0.000 1.135 235 I CB 0.250 38.242 38.000 -0.014 0.000 1.073 235 I HN 0.484 nan 8.210 nan 0.000 0.401 236 G N 1.279 110.063 108.800 -0.027 0.000 2.434 236 G HA2 0.129 4.089 3.960 -0.001 0.000 0.671 236 G HA3 0.129 4.089 3.960 -0.001 0.000 0.671 236 G C -0.869 174.012 174.900 -0.032 0.000 1.280 236 G CA -0.438 44.642 45.100 -0.034 0.000 0.975 236 G HN 0.806 nan 8.290 nan 0.000 0.510 237 V N -2.313 117.579 119.914 -0.037 0.000 3.074 237 V HA 0.940 5.059 4.120 -0.001 0.000 0.314 237 V C -0.004 176.069 176.094 -0.036 0.000 1.117 237 V CA -1.283 60.995 62.300 -0.036 0.000 1.014 237 V CB 1.960 33.757 31.823 -0.043 0.000 1.057 237 V HN 1.084 nan 8.190 nan 0.000 0.438 238 L N 2.478 123.681 121.223 -0.034 0.000 2.362 238 L HA 0.810 5.149 4.340 -0.001 0.000 0.275 238 L C 0.655 177.500 176.870 -0.042 0.000 0.998 238 L CA -0.849 53.970 54.840 -0.036 0.000 0.820 238 L CB 1.856 43.898 42.059 -0.028 0.000 1.270 238 L HN 1.048 nan 8.230 nan 0.000 0.415 239 A N 2.513 125.301 122.820 -0.053 0.000 2.540 239 A HA 0.043 4.363 4.320 -0.001 0.000 0.239 239 A C 0.198 177.753 177.584 -0.048 0.000 1.061 239 A CA 0.113 52.114 52.037 -0.060 0.000 0.758 239 A CB -0.344 18.607 19.000 -0.081 0.000 0.991 239 A HN 0.880 nan 8.150 nan 0.000 0.502 240 N N 1.427 120.101 118.700 -0.044 0.000 3.178 240 N HA 0.158 4.898 4.740 -0.001 0.000 0.300 240 N C -0.469 175.025 175.510 -0.026 0.000 1.242 240 N CA 0.039 53.071 53.050 -0.031 0.000 1.192 240 N CB 0.353 38.823 38.487 -0.027 0.000 1.463 240 N HN 0.692 nan 8.380 nan 0.000 0.539 241 D N -0.344 120.039 120.400 -0.028 0.000 2.424 241 D HA 0.092 4.731 4.640 -0.001 0.000 0.220 241 D C 1.288 177.586 176.300 -0.002 0.000 1.150 241 D CA -0.398 53.589 54.000 -0.021 0.000 0.831 241 D CB 0.046 40.817 40.800 -0.048 0.000 0.981 241 D HN 0.218 nan 8.370 nan 0.000 0.500 242 A N 0.415 123.234 122.820 -0.001 0.000 1.933 242 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 242 A C 1.933 179.517 177.584 0.000 0.000 1.175 242 A CA 0.874 52.909 52.037 -0.004 0.000 0.628 242 A CB -0.505 18.492 19.000 -0.006 0.000 0.814 242 A HN 0.265 nan 8.150 nan 0.000 0.444 243 L N -0.485 120.761 121.223 0.040 0.000 2.056 243 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 243 L C 2.965 179.862 176.870 0.045 0.000 1.078 243 L CA 1.825 56.704 54.840 0.065 0.000 0.749 243 L CB -0.902 41.292 42.059 0.225 0.000 0.901 243 L HN 0.386 nan 8.230 nan 0.000 0.433 244 A N -0.627 122.281 122.820 0.147 0.000 1.877 244 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 244 A C 2.456 180.049 177.584 0.016 0.000 1.186 244 A CA 1.477 53.603 52.037 0.149 0.000 0.620 244 A CB -0.431 18.642 19.000 0.122 0.000 0.822 244 A HN 0.337 nan 8.150 nan 0.000 0.443 245 R N -0.521 119.976 120.500 -0.005 0.000 2.083 245 R HA -0.121 4.219 4.340 -0.001 0.000 0.237 245 R C 2.460 178.724 176.300 -0.060 0.000 1.137 245 R CA 1.340 57.427 56.100 -0.022 0.000 0.951 245 R CB -0.519 29.771 30.300 -0.018 0.000 0.851 245 R HN 0.507 nan 8.270 nan 0.000 0.434 246 A N 1.014 123.779 122.820 -0.093 0.000 1.972 246 A HA -0.047 4.272 4.320 -0.001 0.000 0.219 246 A C 2.154 179.620 177.584 -0.196 0.000 1.169 246 A CA 1.603 53.564 52.037 -0.127 0.000 0.635 246 A CB -0.346 18.578 19.000 -0.128 0.000 0.810 246 A HN 0.402 nan 8.150 nan 0.000 0.446 247 A N -2.037 120.600 122.820 -0.305 0.000 2.251 247 A HA 0.431 4.750 4.320 -0.001 0.000 0.209 247 A C 1.653 179.130 177.584 -0.178 0.000 1.187 247 A CA 1.136 52.931 52.037 -0.404 0.000 0.823 247 A CB -0.716 17.680 19.000 -1.007 0.000 0.846 247 A HN 1.841 nan 8.150 nan 0.000 0.486 248 G N -1.600 107.142 108.800 -0.097 0.000 2.141 248 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.231 248 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.231 248 G C -0.162 174.742 174.900 0.008 0.000 0.984 248 G CA 0.071 45.149 45.100 -0.037 0.000 0.660 248 G HN 0.299 nan 8.290 nan 0.000 0.525 249 L N 1.081 122.324 121.223 0.033 0.000 2.436 249 L HA 0.695 5.034 4.340 -0.001 0.000 0.265 249 L C 1.261 178.180 176.870 0.083 0.000 1.168 249 L CA 0.356 55.239 54.840 0.071 0.000 0.815 249 L CB 0.790 42.913 42.059 0.107 0.000 1.109 249 L HN 0.541 nan 8.230 nan 0.000 0.462 250 A N 2.060 124.953 122.820 0.122 0.000 2.484 250 A HA 0.467 4.787 4.320 -0.001 0.000 0.268 250 A C -0.285 177.481 177.584 0.302 0.000 1.114 250 A CA -0.270 51.897 52.037 0.217 0.000 0.780 250 A CB -0.853 18.279 19.000 0.220 0.000 1.061 250 A HN 0.800 nan 8.150 nan 0.000 0.505 251 C N 1.294 120.716 119.300 0.204 0.000 3.086 251 C HA 0.840 5.299 4.460 -0.001 0.000 0.311 251 C C -0.786 174.202 174.990 -0.003 0.000 1.260 251 C CA -0.829 58.173 59.018 -0.026 0.000 1.426 251 C CB 1.853 29.547 27.740 -0.076 0.000 1.826 251 C HN 0.817 nan 8.230 nan 0.000 0.474 252 D N 1.185 121.453 120.400 -0.219 0.000 2.411 252 D HA 0.275 4.914 4.640 -0.001 0.000 0.239 252 D C -0.384 175.831 176.300 -0.141 0.000 1.307 252 D CA 0.269 54.228 54.000 -0.067 0.000 0.930 252 D CB 0.336 41.218 40.800 0.137 0.000 1.395 252 D HN 0.836 nan 8.370 nan 0.000 0.536 253 D N 2.566 122.907 120.400 -0.099 0.000 2.735 253 D HA -0.016 4.623 4.640 -0.001 0.000 0.235 253 D C -0.049 176.160 176.300 -0.152 0.000 1.175 253 D CA 2.246 56.190 54.000 -0.095 0.000 0.683 253 D CB -1.031 39.735 40.800 -0.057 0.000 1.008 253 D HN 0.861 nan 8.370 nan 0.000 0.416 254 G N -0.260 108.424 108.800 -0.194 0.000 2.326 254 G HA2 0.177 4.137 3.960 -0.001 0.000 0.478 254 G HA3 0.177 4.137 3.960 -0.001 0.000 0.478 254 G C -0.433 174.255 174.900 -0.354 0.000 1.551 254 G CA -0.525 44.434 45.100 -0.236 0.000 0.946 254 G HN 0.411 nan 8.290 nan 0.000 0.671 255 I N 1.471 121.900 120.570 -0.235 0.000 2.352 255 I HA 0.312 4.482 4.170 -0.001 0.000 0.290 255 I C 0.282 176.303 176.117 -0.159 0.000 1.036 255 I CA -0.446 60.750 61.300 -0.173 0.000 1.336 255 I CB 0.574 38.536 38.000 -0.063 0.000 1.407 255 I HN 0.345 nan 8.210 nan 0.000 0.497 256 F N 6.660 126.652 119.950 0.071 0.000 2.543 256 F HA 0.263 4.789 4.527 -0.001 0.000 0.375 256 F C 0.553 176.431 175.800 0.129 0.000 1.075 256 F CA -0.208 57.874 58.000 0.136 0.000 1.225 256 F CB 0.578 39.607 39.000 0.048 0.000 1.099 256 F HN 0.215 nan 8.300 nan 0.000 0.561 257 V N 0.195 120.341 119.914 0.387 0.000 2.962 257 V HA 0.634 4.754 4.120 -0.001 0.000 0.313 257 V C -0.790 175.475 176.094 0.285 0.000 1.099 257 V CA -1.166 61.274 62.300 0.234 0.000 0.971 257 V CB 1.856 33.743 31.823 0.107 0.000 1.028 257 V HN 0.631 nan 8.190 nan 0.000 0.430 258 D N 2.958 123.463 120.400 0.174 0.000 2.478 258 D HA 0.562 5.202 4.640 -0.001 0.000 0.274 258 D C 1.135 177.439 176.300 0.006 0.000 1.234 258 D CA -0.010 54.055 54.000 0.108 0.000 1.069 258 D CB 0.940 41.759 40.800 0.033 0.000 1.113 258 D HN 0.839 nan 8.370 nan 0.000 0.571 259 A N -1.459 121.269 122.820 -0.153 0.000 2.209 259 A HA -0.046 4.274 4.320 -0.001 0.000 0.212 259 A C 1.356 178.869 177.584 -0.118 0.000 1.158 259 A CA 0.569 52.513 52.037 -0.155 0.000 0.742 259 A CB -1.057 17.781 19.000 -0.270 0.000 0.790 259 A HN 0.600 nan 8.150 nan 0.000 0.472 260 Y N -1.451 118.862 120.300 0.021 0.000 2.457 260 Y HA 0.319 4.869 4.550 -0.000 0.000 0.263 260 Y C 1.859 177.887 175.900 0.213 0.000 1.164 260 Y CA 0.085 58.198 58.100 0.022 0.000 1.274 260 Y CB 0.370 38.815 38.460 -0.024 0.000 1.097 260 Y HN 0.435 nan 8.280 nan 0.000 0.523 261 G N 1.279 110.235 108.800 0.261 0.000 2.159 261 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.256 261 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.256 261 G C 0.162 175.166 174.900 0.173 0.000 0.977 261 G CA -0.399 44.843 45.100 0.237 0.000 0.652 261 G HN 0.325 nan 8.290 nan 0.000 0.531 262 R N 1.377 121.907 120.500 0.050 0.000 2.442 262 R HA 0.462 4.802 4.340 -0.001 0.000 0.291 262 R C 1.345 177.579 176.300 -0.111 0.000 1.069 262 R CA 0.534 56.474 56.100 -0.266 0.000 1.022 262 R CB 0.547 30.754 30.300 -0.154 0.000 0.976 262 R HN 0.446 nan 8.270 nan 0.000 0.443 263 T N -1.862 112.595 114.554 -0.162 0.000 2.814 263 T HA 0.036 4.386 4.350 -0.001 0.000 0.284 263 T C 1.523 176.209 174.700 -0.024 0.000 0.998 263 T CA -0.261 61.817 62.100 -0.037 0.000 0.935 263 T CB 1.022 69.874 68.868 -0.027 0.000 1.167 263 T HN 0.664 nan 8.240 nan 0.000 0.545 264 T N -2.632 111.937 114.554 0.026 0.000 3.160 264 T HA 0.087 4.436 4.350 -0.001 0.000 0.257 264 T C 0.803 175.511 174.700 0.014 0.000 1.147 264 T CA -0.288 61.823 62.100 0.017 0.000 1.064 264 T CB -1.066 67.819 68.868 0.028 0.000 0.949 264 T HN 0.678 nan 8.240 nan 0.000 0.526 265 C N 3.383 122.692 119.300 0.015 0.000 2.264 265 C HA 0.579 5.039 4.460 -0.001 0.000 0.324 265 C C -2.592 172.405 174.990 0.011 0.000 1.267 265 C CA -2.685 56.356 59.018 0.038 0.000 1.618 265 C CB 0.154 27.953 27.740 0.099 0.000 2.278 265 C HN 0.274 nan 8.230 nan 0.000 0.499 266 P HA 0.140 nan 4.420 nan 0.000 0.264 266 P C 0.100 177.465 177.300 0.107 0.000 1.183 266 P CA 1.242 64.370 63.100 0.048 0.000 0.763 266 P CB 0.316 32.064 31.700 0.081 0.000 0.807 267 D N -0.661 119.805 120.400 0.109 0.000 3.028 267 D HA -0.122 4.518 4.640 -0.001 0.000 0.207 267 D C -0.486 175.930 176.300 0.193 0.000 1.100 267 D CA 0.829 54.982 54.000 0.255 0.000 0.995 267 D CB -1.458 39.586 40.800 0.408 0.000 1.108 267 D HN 0.143 nan 8.370 nan 0.000 0.421 268 V N 1.167 121.070 119.914 -0.019 0.000 2.448 268 V HA 0.495 4.614 4.120 -0.001 0.000 0.295 268 V C -0.142 175.806 176.094 -0.243 0.000 1.025 268 V CA -0.691 61.537 62.300 -0.121 0.000 0.859 268 V CB 1.456 33.190 31.823 -0.148 0.000 0.988 268 V HN -0.040 nan 8.190 nan 0.000 0.431 269 Y N 2.118 122.317 120.300 -0.167 0.000 2.587 269 Y HA 0.869 5.418 4.550 -0.001 0.000 0.337 269 Y C 0.377 176.155 175.900 -0.203 0.000 1.065 269 Y CA -0.686 57.328 58.100 -0.143 0.000 1.126 269 Y CB 2.186 40.551 38.460 -0.159 0.000 1.279 269 Y HN 0.742 nan 8.280 nan 0.000 0.489 270 A N 1.675 124.482 122.820 -0.022 0.000 2.539 270 A HA 0.929 5.249 4.320 -0.001 0.000 0.296 270 A C -1.944 175.571 177.584 -0.116 0.000 1.073 270 A CA -0.691 51.283 52.037 -0.104 0.000 0.700 270 A CB 1.274 20.226 19.000 -0.082 0.000 1.296 270 A HN 0.713 nan 8.150 nan 0.000 0.405 271 L N -0.951 120.171 121.223 -0.169 0.000 2.540 271 L HA 0.996 5.336 4.340 -0.001 0.000 0.256 271 L C 0.467 177.241 176.870 -0.160 0.000 1.001 271 L CA 0.053 54.788 54.840 -0.175 0.000 0.843 271 L CB 1.181 43.106 42.059 -0.224 0.000 1.436 271 L HN 2.419 nan 8.230 nan 0.000 0.410 272 G N 0.500 109.206 108.800 -0.157 0.000 2.527 272 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.227 272 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.227 272 G C 0.055 174.889 174.900 -0.110 0.000 1.291 272 G CA 0.467 45.484 45.100 -0.138 0.000 0.904 272 G HN 0.831 nan 8.290 nan 0.000 0.577 273 D N -0.628 119.712 120.400 -0.101 0.000 2.221 273 D HA -0.026 4.613 4.640 -0.001 0.000 0.204 273 D C 2.402 178.651 176.300 -0.085 0.000 0.982 273 D CA 1.370 55.318 54.000 -0.087 0.000 0.857 273 D CB -0.078 40.674 40.800 -0.081 0.000 0.934 273 D HN 0.502 nan 8.370 nan 0.000 0.475 274 V N 0.450 120.310 119.914 -0.090 0.000 3.141 274 V HA -0.048 4.072 4.120 -0.001 0.000 0.265 274 V C 0.808 176.842 176.094 -0.099 0.000 1.126 274 V CA 1.285 63.532 62.300 -0.089 0.000 1.141 274 V CB -0.407 31.366 31.823 -0.084 0.000 0.743 274 V HN 0.295 nan 8.190 nan 0.000 0.492 275 T N -0.615 113.883 114.554 -0.094 0.000 2.909 275 T HA 0.446 4.796 4.350 -0.001 0.000 0.286 275 T C -0.202 174.445 174.700 -0.089 0.000 1.002 275 T CA -0.701 61.347 62.100 -0.087 0.000 1.074 275 T CB 1.543 70.374 68.868 -0.061 0.000 0.984 275 T HN 0.398 nan 8.240 nan 0.000 0.495 276 R N 2.099 122.542 120.500 -0.096 0.000 2.295 276 R HA 0.446 4.786 4.340 -0.001 0.000 0.324 276 R C -0.426 175.963 176.300 0.148 0.000 0.968 276 R CA -0.509 55.576 56.100 -0.024 0.000 0.837 276 R CB 0.745 30.910 30.300 -0.224 0.000 1.133 276 R HN 0.957 nan 8.270 nan 0.000 0.450 277 Q N 2.672 122.387 119.800 -0.142 0.000 2.565 277 Q HA 0.362 4.702 4.340 -0.001 0.000 0.294 277 Q C -1.263 174.028 176.000 -1.182 0.000 1.005 277 Q CA -1.245 54.169 55.803 -0.647 0.000 0.771 277 Q CB 1.557 30.154 28.738 -0.234 0.000 1.486 277 Q HN 0.427 nan 8.270 nan 0.000 0.422 278 R N 1.503 121.167 120.500 -1.393 0.000 2.401 278 R HA 0.106 4.446 4.340 -0.001 0.000 0.299 278 R C -0.664 175.432 176.300 -0.340 0.000 1.064 278 R CA -0.163 55.453 56.100 -0.806 0.000 1.000 278 R CB 0.460 30.505 30.300 -0.425 0.000 0.973 278 R HN 0.640 nan 8.270 nan 0.000 0.438 279 N N 5.764 124.347 118.700 -0.194 0.000 2.406 279 N HA 0.124 4.863 4.740 -0.001 0.000 0.251 279 N C -2.096 173.369 175.510 -0.073 0.000 1.069 279 N CA -2.232 50.759 53.050 -0.099 0.000 0.947 279 N CB 1.633 40.098 38.487 -0.037 0.000 1.111 279 N HN 0.396 nan 8.380 nan 0.000 0.497 280 P HA -0.008 nan 4.420 nan 0.000 0.223 280 P C 1.340 178.621 177.300 -0.032 0.000 1.151 280 P CA 0.749 63.809 63.100 -0.066 0.000 0.787 280 P CB 0.481 32.125 31.700 -0.094 0.000 0.788 281 L N -0.690 120.522 121.223 -0.019 0.000 2.131 281 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 281 L C 2.359 179.236 176.870 0.012 0.000 1.087 281 L CA 1.822 56.662 54.840 0.000 0.000 0.767 281 L CB -0.715 41.352 42.059 0.014 0.000 0.917 281 L HN 0.090 nan 8.230 nan 0.000 0.441 282 S N -1.243 114.467 115.700 0.016 0.000 2.486 282 S HA 0.119 4.589 4.470 -0.001 0.000 0.220 282 S C 1.615 176.234 174.600 0.032 0.000 1.011 282 S CA 0.438 58.655 58.200 0.028 0.000 0.921 282 S CB 0.471 63.694 63.200 0.037 0.000 0.785 282 S HN 0.463 nan 8.310 nan 0.000 0.517 283 G N 1.662 110.478 108.800 0.026 0.000 2.155 283 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.257 283 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.257 283 G C -0.010 174.944 174.900 0.090 0.000 0.983 283 G CA 0.139 45.265 45.100 0.043 0.000 0.676 283 G HN 0.536 nan 8.290 nan 0.000 0.528 284 R N -0.946 119.610 120.500 0.093 0.000 2.778 284 R HA 0.686 5.025 4.340 -0.001 0.000 0.277 284 R C -0.284 176.136 176.300 0.201 0.000 0.977 284 R CA -1.422 54.776 56.100 0.164 0.000 0.950 284 R CB 0.462 30.833 30.300 0.119 0.000 1.165 284 R HN 0.026 nan 8.270 nan 0.000 0.474 285 F N 1.047 121.035 119.950 0.063 0.000 2.443 285 F HA 0.235 4.762 4.527 -0.001 0.000 0.353 285 F C 1.002 176.854 175.800 0.086 0.000 1.101 285 F CA 0.397 58.457 58.000 0.099 0.000 1.226 285 F CB 0.661 39.770 39.000 0.182 0.000 1.140 285 F HN 0.392 nan 8.300 nan 0.000 0.557 286 E N 2.668 122.927 120.200 0.099 0.000 2.392 286 E HA 0.311 4.660 4.350 -0.001 0.000 0.279 286 E C -1.420 175.185 176.600 0.007 0.000 0.964 286 E CA -1.033 55.401 56.400 0.056 0.000 0.777 286 E CB 1.603 31.315 29.700 0.021 0.000 1.249 286 E HN 0.610 nan 8.360 nan 0.000 0.449 287 R N 4.599 125.097 120.500 -0.004 0.000 2.205 287 R HA 0.358 4.697 4.340 -0.001 0.000 0.342 287 R C -0.519 175.757 176.300 -0.039 0.000 1.058 287 R CA -0.303 55.775 56.100 -0.037 0.000 0.904 287 R CB 0.226 30.494 30.300 -0.054 0.000 1.089 287 R HN 0.435 nan 8.270 nan 0.000 0.471 288 I N 4.010 124.556 120.570 -0.040 0.000 2.474 288 I HA 0.077 4.247 4.170 -0.001 0.000 0.287 288 I C 0.446 176.528 176.117 -0.059 0.000 1.048 288 I CA 0.174 61.453 61.300 -0.036 0.000 1.383 288 I CB 1.467 39.464 38.000 -0.006 0.000 1.412 288 I HN 0.640 nan 8.210 nan 0.000 0.531 289 E N 4.188 124.340 120.200 -0.080 0.000 3.167 289 E HA 0.129 4.478 4.350 -0.001 0.000 0.210 289 E C -0.611 175.920 176.600 -0.115 0.000 1.004 289 E CA -0.241 56.100 56.400 -0.099 0.000 1.256 289 E CB 0.786 30.418 29.700 -0.114 0.000 1.193 289 E HN 0.728 nan 8.360 nan 0.000 0.448 290 T N -3.786 110.713 114.554 -0.092 0.000 2.912 290 T HA 0.167 4.517 4.350 -0.001 0.000 0.288 290 T C 0.460 175.142 174.700 -0.030 0.000 1.030 290 T CA -0.869 61.180 62.100 -0.085 0.000 1.020 290 T CB 1.579 70.394 68.868 -0.089 0.000 1.056 290 T HN 0.311 nan 8.240 nan 0.000 0.480 291 W N 2.281 123.469 121.300 -0.186 0.000 2.318 291 W HA -0.221 4.439 4.660 -0.000 0.000 0.313 291 W C 2.558 179.022 176.519 -0.092 0.000 1.221 291 W CA 2.949 60.243 57.345 -0.084 0.000 1.266 291 W CB -0.451 29.042 29.460 0.055 0.000 1.150 291 W HN 0.888 nan 8.180 nan 0.000 0.496 292 S N -0.368 115.336 115.700 0.007 0.000 2.383 292 S HA -0.276 4.193 4.470 -0.001 0.000 0.227 292 S C 1.685 176.198 174.600 -0.146 0.000 1.026 292 S CA 1.500 59.586 58.200 -0.189 0.000 0.981 292 S CB -1.134 61.684 63.200 -0.635 0.000 0.818 292 S HN 0.518 nan 8.310 nan 0.000 0.472 293 N N 2.551 121.189 118.700 -0.103 0.000 2.084 293 N HA -0.031 4.709 4.740 -0.001 0.000 0.190 293 N C 1.874 177.293 175.510 -0.151 0.000 1.030 293 N CA 1.723 54.755 53.050 -0.030 0.000 0.849 293 N CB -0.824 37.663 38.487 0.001 0.000 1.012 293 N HN 0.495 nan 8.380 nan 0.000 0.423 294 A N 0.295 122.999 122.820 -0.194 0.000 1.873 294 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 294 A C 2.216 179.641 177.584 -0.264 0.000 1.193 294 A CA 1.999 53.900 52.037 -0.226 0.000 0.629 294 A CB -1.106 17.759 19.000 -0.226 0.000 0.826 294 A HN 0.631 nan 8.150 nan 0.000 0.447 295 Q N -0.822 118.758 119.800 -0.368 0.000 2.016 295 Q HA -0.190 4.150 4.340 -0.001 0.000 0.200 295 Q C 1.835 177.721 176.000 -0.190 0.000 0.978 295 Q CA 1.672 57.278 55.803 -0.330 0.000 0.833 295 Q CB -0.159 28.251 28.738 -0.548 0.000 0.895 295 Q HN 0.664 nan 8.270 nan 0.000 0.427 296 N N 0.399 119.017 118.700 -0.135 0.000 2.142 296 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 296 N C 1.593 176.958 175.510 -0.242 0.000 1.023 296 N CA 1.193 54.238 53.050 -0.007 0.000 0.852 296 N CB -0.287 38.356 38.487 0.259 0.000 0.998 296 N HN 0.375 nan 8.380 nan 0.000 0.424 297 Q N 0.359 119.798 119.800 -0.603 0.000 2.079 297 Q HA -0.048 4.292 4.340 -0.001 0.000 0.200 297 Q C 1.943 177.695 176.000 -0.414 0.000 0.974 297 Q CA 1.530 56.706 55.803 -1.044 0.000 0.840 297 Q CB -0.296 27.916 28.738 -0.877 0.000 0.898 297 Q HN 0.355 nan 8.270 nan 0.000 0.430 298 G N 1.177 109.845 108.800 -0.220 0.000 2.446 298 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 298 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 298 G C 1.388 176.334 174.900 0.076 0.000 1.168 298 G CA 1.006 46.098 45.100 -0.013 0.000 0.771 298 G HN 0.368 nan 8.290 nan 0.000 0.551 299 I N 1.281 121.842 120.570 -0.015 0.000 2.252 299 I HA -0.135 4.034 4.170 -0.001 0.000 0.245 299 I C 3.268 179.401 176.117 0.028 0.000 1.102 299 I CA 0.958 62.259 61.300 0.000 0.000 1.385 299 I CB -0.168 37.833 38.000 0.002 0.000 1.064 299 I HN 0.246 nan 8.210 nan 0.000 0.414 300 A N 0.238 123.072 122.820 0.025 0.000 1.930 300 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 300 A C 2.410 180.077 177.584 0.137 0.000 1.175 300 A CA 1.531 53.632 52.037 0.106 0.000 0.627 300 A CB -0.816 18.301 19.000 0.196 0.000 0.815 300 A HN 0.236 nan 8.150 nan 0.000 0.443 301 V N -0.204 119.779 119.914 0.114 0.000 2.323 301 V HA -0.193 3.926 4.120 -0.001 0.000 0.244 301 V C 3.059 179.275 176.094 0.203 0.000 1.041 301 V CA 1.757 64.174 62.300 0.194 0.000 1.025 301 V CB -1.231 30.684 31.823 0.155 0.000 0.656 301 V HN 0.600 nan 8.190 nan 0.000 0.451 302 A N 0.581 123.503 122.820 0.170 0.000 1.883 302 A HA -0.300 4.020 4.320 -0.001 0.000 0.217 302 A C 2.306 179.813 177.584 -0.129 0.000 1.186 302 A CA 2.421 54.339 52.037 -0.197 0.000 0.624 302 A CB -0.578 18.093 19.000 -0.550 0.000 0.822 302 A HN 0.457 nan 8.150 nan 0.000 0.444 303 R N -0.537 119.946 120.500 -0.029 0.000 2.081 303 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 303 R C 2.146 178.459 176.300 0.021 0.000 1.131 303 R CA 2.232 58.330 56.100 -0.004 0.000 0.960 303 R CB -0.987 29.339 30.300 0.043 0.000 0.856 303 R HN 0.777 nan 8.270 nan 0.000 0.436 304 H N -0.164 118.904 119.070 -0.003 0.000 2.462 304 H HA 0.007 4.562 4.556 -0.000 0.000 0.292 304 H C 1.788 177.069 175.328 -0.078 0.000 1.049 304 H CA 1.436 57.474 56.048 -0.015 0.000 1.334 304 H CB 0.155 29.953 29.762 0.059 0.000 1.404 304 H HN 0.234 nan 8.280 nan 0.000 0.544 305 L N 0.113 121.261 121.223 -0.125 0.000 2.046 305 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 305 L C 2.712 179.438 176.870 -0.241 0.000 1.077 305 L CA 0.889 55.589 54.840 -0.232 0.000 0.747 305 L CB -0.122 41.777 42.059 -0.265 0.000 0.896 305 L HN 0.116 nan 8.230 nan 0.000 0.432 306 V N -1.519 118.278 119.914 -0.195 0.000 2.488 306 V HA -0.116 4.004 4.120 -0.001 0.000 0.246 306 V C 0.467 176.486 176.094 -0.125 0.000 1.046 306 V CA 1.145 63.362 62.300 -0.139 0.000 1.053 306 V CB -0.249 31.516 31.823 -0.096 0.000 0.679 306 V HN 0.343 nan 8.190 nan 0.000 0.458 307 D N -0.592 119.720 120.400 -0.145 0.000 2.408 307 D HA 0.281 4.921 4.640 -0.001 0.000 0.261 307 D C -2.161 174.002 176.300 -0.228 0.000 1.190 307 D CA -2.272 51.650 54.000 -0.130 0.000 0.910 307 D CB 1.785 42.549 40.800 -0.060 0.000 1.097 307 D HN 0.064 nan 8.370 nan 0.000 0.522 308 P HA -0.097 nan 4.420 nan 0.000 0.226 308 P C 1.186 178.370 177.300 -0.194 0.000 1.146 308 P CA 1.106 63.899 63.100 -0.512 0.000 0.773 308 P CB 0.114 31.615 31.700 -0.332 0.000 0.772 309 T N -4.269 110.242 114.554 -0.072 0.000 3.088 309 T HA 0.265 4.615 4.350 -0.001 0.000 0.259 309 T C 0.958 175.711 174.700 0.088 0.000 1.122 309 T CA -0.006 62.107 62.100 0.021 0.000 1.095 309 T CB -0.586 68.288 68.868 0.011 0.000 0.930 309 T HN 0.015 nan 8.240 nan 0.000 0.508 310 A N 3.475 126.360 122.820 0.109 0.000 2.425 310 A HA 0.537 4.857 4.320 -0.001 0.000 0.242 310 A C -1.815 175.927 177.584 0.264 0.000 1.077 310 A CA -1.357 50.778 52.037 0.163 0.000 0.781 310 A CB -0.138 18.949 19.000 0.146 0.000 1.020 310 A HN 0.394 nan 8.150 nan 0.000 0.494 311 P HA 0.258 nan 4.420 nan 0.000 0.274 311 P C 0.490 177.933 177.300 0.238 0.000 1.246 311 P CA 0.117 63.339 63.100 0.203 0.000 0.795 311 P CB 0.457 32.232 31.700 0.125 0.000 1.006 312 G N -0.000 108.931 108.800 0.219 0.000 2.651 312 G HA2 0.108 4.067 3.960 -0.001 0.000 0.260 312 G HA3 0.108 4.067 3.960 -0.001 0.000 0.260 312 G C -0.880 174.111 174.900 0.150 0.000 1.216 312 G CA -0.652 44.532 45.100 0.140 0.000 0.913 312 G HN 0.550 nan 8.290 nan 0.000 0.535 313 Y N -0.051 120.250 120.300 0.002 0.000 2.717 313 Y HA 0.247 4.797 4.550 -0.001 0.000 0.330 313 Y C 1.000 176.887 175.900 -0.021 0.000 1.217 313 Y CA 0.366 58.469 58.100 0.004 0.000 1.506 313 Y CB 0.687 39.144 38.460 -0.005 0.000 1.268 313 Y HN 0.437 nan 8.280 nan 0.000 0.561 314 A N 4.351 126.979 122.820 -0.320 0.000 2.701 314 A HA 0.165 4.485 4.320 -0.001 0.000 0.241 314 A C -0.132 177.238 177.584 -0.356 0.000 1.231 314 A CA -0.385 51.470 52.037 -0.303 0.000 1.003 314 A CB 0.133 19.071 19.000 -0.104 0.000 1.281 314 A HN 0.654 nan 8.150 nan 0.000 0.600 315 E N 0.536 120.420 120.200 -0.526 0.000 2.398 315 E HA 0.282 4.631 4.350 -0.001 0.000 0.263 315 E C -0.540 175.932 176.600 -0.214 0.000 1.046 315 E CA 0.228 56.490 56.400 -0.230 0.000 0.908 315 E CB 0.823 30.527 29.700 0.008 0.000 0.963 315 E HN 0.461 nan 8.360 nan 0.000 0.431 316 L N 4.339 125.543 121.223 -0.032 0.000 2.357 316 L HA 0.321 4.660 4.340 -0.001 0.000 0.273 316 L C -1.845 175.125 176.870 0.166 0.000 1.080 316 L CA -2.003 52.847 54.840 0.017 0.000 0.803 316 L CB 0.843 42.912 42.059 0.017 0.000 1.174 316 L HN 0.237 nan 8.230 nan 0.000 0.443 317 P HA 0.081 nan 4.420 nan 0.000 0.271 317 P C -1.291 176.252 177.300 0.404 0.000 1.218 317 P CA -0.089 63.144 63.100 0.222 0.000 0.780 317 P CB 0.582 32.373 31.700 0.152 0.000 0.901 318 W N 3.049 124.497 121.300 0.247 0.000 3.153 318 W HA 0.509 5.168 4.660 -0.001 0.000 0.316 318 W C -2.475 174.297 176.519 0.422 0.000 1.255 318 W CA -1.128 56.404 57.345 0.311 0.000 1.192 318 W CB 0.150 29.801 29.460 0.319 0.000 1.400 318 W HN 0.597 nan 8.180 nan 0.000 0.568 319 Y N 0.685 121.198 120.300 0.355 0.000 2.689 319 Y HA 0.858 5.408 4.550 -0.001 0.000 0.333 319 Y C -1.487 174.603 175.900 0.317 0.000 1.190 319 Y CA -2.036 56.098 58.100 0.058 0.000 1.063 319 Y CB 1.462 39.848 38.460 -0.123 0.000 1.294 319 Y HN 0.458 nan 8.280 nan 0.000 0.466 320 F N -0.467 119.596 119.950 0.189 0.000 2.603 320 F HA 0.876 5.402 4.527 -0.001 0.000 0.317 320 F C -0.722 175.157 175.800 0.131 0.000 1.066 320 F CA -1.288 56.743 58.000 0.053 0.000 0.941 320 F CB 2.009 41.034 39.000 0.041 0.000 1.291 320 F HN 0.638 nan 8.300 nan 0.000 0.472 321 S N 0.560 116.357 115.700 0.162 0.000 2.572 321 S HA 0.435 4.904 4.470 -0.001 0.000 0.274 321 S C -2.203 172.466 174.600 0.115 0.000 1.150 321 S CA -0.712 57.549 58.200 0.102 0.000 0.944 321 S CB 1.156 64.433 63.200 0.128 0.000 1.071 321 S HN 0.660 nan 8.310 nan 0.000 0.479 322 D N 3.968 124.436 120.400 0.114 0.000 2.460 322 D HA 0.289 4.929 4.640 -0.001 0.000 0.232 322 D C -0.681 175.661 176.300 0.070 0.000 1.079 322 D CA -0.156 53.891 54.000 0.078 0.000 0.864 322 D CB 1.393 42.247 40.800 0.090 0.000 1.048 322 D HN 0.532 nan 8.370 nan 0.000 0.523 323 Q N 1.213 121.041 119.800 0.047 0.000 2.508 323 Q HA 0.486 4.825 4.340 -0.001 0.000 0.247 323 Q C 1.012 177.029 176.000 0.029 0.000 1.047 323 Q CA -0.738 55.124 55.803 0.099 0.000 0.783 323 Q CB 1.798 30.649 28.738 0.188 0.000 1.172 323 Q HN 0.643 nan 8.270 nan 0.000 0.515 324 G N 2.232 111.088 108.800 0.094 0.000 2.629 324 G HA2 -0.466 3.493 3.960 -0.001 0.000 0.313 324 G HA3 -0.466 3.493 3.960 -0.001 0.000 0.313 324 G C 0.801 175.717 174.900 0.026 0.000 1.217 324 G CA 0.284 45.454 45.100 0.116 0.000 0.994 324 G HN 0.715 nan 8.290 nan 0.000 0.549 325 A N -0.111 122.725 122.820 0.026 0.000 2.209 325 A HA 0.536 4.855 4.320 -0.001 0.000 0.212 325 A C 1.252 178.723 177.584 -0.189 0.000 1.158 325 A CA 1.037 53.047 52.037 -0.046 0.000 0.742 325 A CB -0.255 18.790 19.000 0.075 0.000 0.790 325 A HN 0.718 nan 8.150 nan 0.000 0.472 326 L N 0.764 121.784 121.223 -0.337 0.000 2.255 326 L HA 0.333 4.673 4.340 -0.001 0.000 0.289 326 L C 0.534 177.316 176.870 -0.147 0.000 1.046 326 L CA -0.425 54.245 54.840 -0.283 0.000 0.816 326 L CB 0.897 42.712 42.059 -0.406 0.000 1.197 326 L HN 0.191 nan 8.230 nan 0.000 0.427 327 R N 5.104 125.528 120.500 -0.128 0.000 2.230 327 R HA 0.470 4.810 4.340 -0.001 0.000 0.337 327 R C -0.834 175.377 176.300 -0.148 0.000 1.063 327 R CA -0.433 55.605 56.100 -0.103 0.000 0.935 327 R CB 0.399 30.638 30.300 -0.102 0.000 1.121 327 R HN 0.581 nan 8.270 nan 0.000 0.486 328 I N 3.823 124.327 120.570 -0.110 0.000 2.392 328 I HA 0.242 4.412 4.170 -0.001 0.000 0.295 328 I C -0.050 175.936 176.117 -0.218 0.000 0.985 328 I CA -0.459 60.747 61.300 -0.158 0.000 1.221 328 I CB 1.836 39.801 38.000 -0.057 0.000 1.366 328 I HN 0.358 nan 8.210 nan 0.000 0.467 329 Q N 5.234 124.784 119.800 -0.416 0.000 2.285 329 Q HA 0.650 4.989 4.340 -0.001 0.000 0.269 329 Q C -1.547 174.092 176.000 -0.601 0.000 1.030 329 Q CA -0.693 54.674 55.803 -0.727 0.000 0.788 329 Q CB 3.357 31.148 28.738 -1.579 0.000 1.266 329 Q HN 0.380 nan 8.270 nan 0.000 0.438 330 V N 1.209 120.879 119.914 -0.406 0.000 2.577 330 V HA 0.850 4.970 4.120 -0.001 0.000 0.303 330 V C -0.918 175.307 176.094 0.219 0.000 1.042 330 V CA -0.646 61.554 62.300 -0.166 0.000 0.872 330 V CB 1.738 33.213 31.823 -0.580 0.000 0.998 330 V HN 0.842 nan 8.190 nan 0.000 0.423 331 A N 3.173 126.211 122.820 0.363 0.000 2.374 331 A HA 0.998 5.317 4.320 -0.001 0.000 0.317 331 A C 0.541 178.241 177.584 0.193 0.000 1.094 331 A CA 0.165 52.394 52.037 0.319 0.000 0.765 331 A CB 1.449 20.501 19.000 0.086 0.000 1.268 331 A HN 2.187 nan 8.150 nan 0.000 0.438 332 G N 0.026 108.941 108.800 0.191 0.000 2.528 332 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.262 332 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.262 332 G C -0.097 174.882 174.900 0.130 0.000 1.200 332 G CA 0.143 45.319 45.100 0.127 0.000 0.951 332 G HN 1.242 nan 8.290 nan 0.000 0.566 333 L N 0.962 122.243 121.223 0.095 0.000 2.375 333 L HA 0.548 4.887 4.340 -0.001 0.000 0.271 333 L C 2.072 179.002 176.870 0.100 0.000 1.107 333 L CA -0.105 54.789 54.840 0.092 0.000 0.806 333 L CB 1.322 43.420 42.059 0.065 0.000 1.146 333 L HN 0.960 nan 8.230 nan 0.000 0.447 334 A N 1.826 124.709 122.820 0.105 0.000 1.969 334 A HA -0.014 4.306 4.320 -0.001 0.000 0.218 334 A C 0.938 178.572 177.584 0.084 0.000 1.169 334 A CA 1.386 53.487 52.037 0.107 0.000 0.635 334 A CB -0.204 18.862 19.000 0.110 0.000 0.810 334 A HN 0.776 nan 8.150 nan 0.000 0.445 335 S N -3.913 111.828 115.700 0.068 0.000 2.596 335 S HA 0.727 5.196 4.470 -0.001 0.000 0.270 335 S C -0.062 174.565 174.600 0.045 0.000 1.155 335 S CA -0.091 58.142 58.200 0.054 0.000 0.827 335 S CB 1.320 64.549 63.200 0.049 0.000 1.130 335 S HN 0.996 nan 8.310 nan 0.000 0.467 336 G N 0.397 109.219 108.800 0.037 0.000 3.265 336 G HA2 0.517 4.477 3.960 -0.001 0.000 0.171 336 G HA3 0.517 4.477 3.960 -0.001 0.000 0.171 336 G C -0.789 174.126 174.900 0.024 0.000 1.110 336 G CA 0.133 45.251 45.100 0.029 0.000 0.855 336 G HN 0.775 nan 8.290 nan 0.000 0.658 337 D N -0.745 119.667 120.400 0.020 0.000 2.398 337 D HA 0.202 4.841 4.640 -0.001 0.000 0.210 337 D C 0.354 176.662 176.300 0.015 0.000 1.094 337 D CA 0.048 54.058 54.000 0.016 0.000 0.839 337 D CB 1.011 41.819 40.800 0.013 0.000 0.963 337 D HN 0.448 nan 8.370 nan 0.000 0.506 338 E N -0.225 119.985 120.200 0.017 0.000 2.347 338 E HA 0.219 4.569 4.350 -0.001 0.000 0.285 338 E C -1.779 174.832 176.600 0.019 0.000 0.925 338 E CA -0.573 55.836 56.400 0.015 0.000 0.779 338 E CB 1.872 31.579 29.700 0.012 0.000 1.233 338 E HN 0.050 nan 8.360 nan 0.000 0.414 339 E N 4.834 125.045 120.200 0.019 0.000 2.187 339 E HA 0.441 4.790 4.350 -0.001 0.000 0.268 339 E C -1.026 175.584 176.600 0.017 0.000 0.896 339 E CA -0.678 55.736 56.400 0.023 0.000 0.766 339 E CB 1.201 30.917 29.700 0.027 0.000 1.142 339 E HN 0.456 nan 8.360 nan 0.000 0.408 340 I N 4.160 124.742 120.570 0.021 0.000 2.377 340 I HA 0.275 4.444 4.170 -0.001 0.000 0.293 340 I C -0.707 175.424 176.117 0.024 0.000 0.987 340 I CA -1.029 60.280 61.300 0.016 0.000 1.185 340 I CB 1.862 39.870 38.000 0.014 0.000 1.341 340 I HN 0.289 nan 8.210 nan 0.000 0.455 341 V N 6.994 126.915 119.914 0.012 0.000 2.370 341 V HA 0.429 4.548 4.120 -0.001 0.000 0.283 341 V C 0.016 176.120 176.094 0.018 0.000 1.023 341 V CA -0.682 61.626 62.300 0.013 0.000 0.857 341 V CB 1.330 33.130 31.823 -0.039 0.000 0.985 341 V HN 0.649 nan 8.190 nan 0.000 0.443 342 R N 3.532 124.061 120.500 0.048 0.000 2.295 342 R HA 0.687 5.027 4.340 -0.001 0.000 0.324 342 R C 0.467 176.803 176.300 0.060 0.000 0.968 342 R CA 0.099 56.223 56.100 0.041 0.000 0.837 342 R CB 1.668 31.991 30.300 0.039 0.000 1.133 342 R HN 1.104 nan 8.270 nan 0.000 0.450 343 G N 0.647 109.465 108.800 0.031 0.000 2.707 343 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.686 343 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.686 343 G C -0.705 174.192 174.900 -0.006 0.000 1.315 343 G CA -0.478 44.642 45.100 0.033 0.000 0.832 343 G HN 0.723 nan 8.290 nan 0.000 0.573 344 E N -0.871 119.319 120.200 -0.017 0.000 2.313 344 E HA 0.625 4.975 4.350 -0.001 0.000 0.272 344 E C 0.396 176.901 176.600 -0.159 0.000 1.038 344 E CA -0.040 56.318 56.400 -0.071 0.000 0.863 344 E CB 1.669 31.349 29.700 -0.033 0.000 1.060 344 E HN 1.772 nan 8.360 nan 0.000 0.402 345 V N 2.560 122.281 119.914 -0.322 0.000 2.320 345 V HA 0.551 4.670 4.120 -0.001 0.000 0.265 345 V C 0.142 176.088 176.094 -0.246 0.000 1.048 345 V CA 0.077 61.992 62.300 -0.641 0.000 0.865 345 V CB 0.287 31.572 31.823 -0.897 0.000 1.043 345 V HN 0.737 nan 8.190 nan 0.000 0.474 346 S N 4.214 119.867 115.700 -0.078 0.000 2.536 346 S HA 0.540 5.010 4.470 -0.001 0.000 0.271 346 S C 0.368 175.202 174.600 0.390 0.000 1.134 346 S CA -0.696 57.603 58.200 0.165 0.000 0.897 346 S CB 1.818 65.069 63.200 0.084 0.000 1.094 346 S HN 0.497 nan 8.310 nan 0.000 0.473 347 L N 2.542 123.997 121.223 0.386 0.000 2.376 347 L HA 0.030 4.370 4.340 -0.001 0.000 0.219 347 L C 1.493 178.501 176.870 0.231 0.000 1.133 347 L CA 0.600 55.643 54.840 0.339 0.000 0.816 347 L CB -0.409 41.759 42.059 0.181 0.000 0.933 347 L HN 0.658 nan 8.230 nan 0.000 0.449 348 D N 1.253 121.755 120.400 0.170 0.000 2.119 348 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 348 D C 1.018 177.388 176.300 0.117 0.000 0.987 348 D CA 1.654 55.724 54.000 0.116 0.000 0.858 348 D CB 0.045 40.895 40.800 0.083 0.000 1.008 348 D HN 0.229 nan 8.370 nan 0.000 0.450 349 A N 0.657 123.542 122.820 0.107 0.000 2.802 349 A HA 0.480 4.799 4.320 -0.001 0.000 0.344 349 A C -2.490 175.158 177.584 0.106 0.000 1.215 349 A CA -1.194 50.899 52.037 0.093 0.000 0.821 349 A CB 0.538 19.573 19.000 0.058 0.000 1.099 349 A HN -0.023 nan 8.150 nan 0.000 0.479 350 P HA 0.172 nan 4.420 nan 0.000 0.260 350 P C -0.517 176.819 177.300 0.061 0.000 1.185 350 P CA 0.582 63.797 63.100 0.191 0.000 0.763 350 P CB 0.250 32.153 31.700 0.339 0.000 0.776 351 K N 4.317 124.755 120.400 0.064 0.000 2.670 351 K HA 0.407 4.727 4.320 -0.001 0.000 0.274 351 K C -1.595 175.042 176.600 0.062 0.000 1.068 351 K CA -0.593 55.678 56.287 -0.027 0.000 0.967 351 K CB 0.471 32.967 32.500 -0.006 0.000 1.297 351 K HN 0.402 nan 8.250 nan 0.000 0.477 352 F N -1.237 118.629 119.950 -0.140 0.000 2.741 352 F HA 0.634 5.161 4.527 -0.001 0.000 0.313 352 F C -1.421 174.321 175.800 -0.097 0.000 1.153 352 F CA -0.810 57.111 58.000 -0.132 0.000 0.931 352 F CB 1.838 40.720 39.000 -0.197 0.000 1.335 352 F HN 0.049 nan 8.300 nan 0.000 0.460 353 T N 2.613 117.261 114.554 0.156 0.000 2.886 353 T HA 0.698 5.047 4.350 -0.001 0.000 0.292 353 T C -0.991 173.816 174.700 0.178 0.000 1.012 353 T CA -0.610 61.539 62.100 0.082 0.000 0.982 353 T CB 1.610 70.503 68.868 0.042 0.000 1.018 353 T HN 0.644 nan 8.240 nan 0.000 0.451 354 L N 3.536 124.852 121.223 0.155 0.000 2.334 354 L HA 0.704 5.043 4.340 -0.001 0.000 0.276 354 L C -0.701 176.221 176.870 0.087 0.000 1.014 354 L CA -1.043 53.876 54.840 0.131 0.000 0.815 354 L CB 1.625 43.777 42.059 0.156 0.000 1.268 354 L HN 0.496 nan 8.230 nan 0.000 0.428 355 I N 1.965 122.573 120.570 0.063 0.000 2.466 355 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 355 I C -0.656 175.485 176.117 0.040 0.000 1.026 355 I CA -0.705 60.622 61.300 0.045 0.000 1.078 355 I CB 2.071 40.087 38.000 0.027 0.000 1.249 355 I HN 0.499 nan 8.210 nan 0.000 0.429 356 E N 6.783 127.008 120.200 0.041 0.000 2.175 356 E HA 0.655 5.005 4.350 -0.001 0.000 0.278 356 E C -0.993 175.623 176.600 0.026 0.000 0.969 356 E CA -0.723 55.700 56.400 0.038 0.000 0.796 356 E CB 2.434 32.162 29.700 0.048 0.000 1.104 356 E HN 0.308 nan 8.360 nan 0.000 0.395 357 L N 1.759 122.995 121.223 0.022 0.000 2.323 357 L HA 0.428 4.767 4.340 -0.001 0.000 0.265 357 L C -0.376 176.504 176.870 0.015 0.000 1.012 357 L CA -0.877 53.972 54.840 0.015 0.000 0.820 357 L CB 1.564 43.629 42.059 0.010 0.000 1.334 357 L HN 0.308 nan 8.230 nan 0.000 0.427 358 Q N 1.614 121.421 119.800 0.012 0.000 2.294 358 Q HA 0.408 4.747 4.340 -0.001 0.000 0.264 358 Q C -1.128 174.877 176.000 0.008 0.000 0.992 358 Q CA -0.566 55.244 55.803 0.012 0.000 0.747 358 Q CB 1.055 29.801 28.738 0.014 0.000 1.262 358 Q HN 0.417 nan 8.270 nan 0.000 0.452 359 K N 3.401 123.806 120.400 0.008 0.000 3.156 359 K HA -0.287 4.033 4.320 -0.001 0.000 0.266 359 K C 0.631 177.233 176.600 0.004 0.000 0.966 359 K CA 0.742 57.032 56.287 0.006 0.000 0.719 359 K CB -1.975 30.528 32.500 0.005 0.000 1.333 359 K HN 1.195 nan 8.250 nan 0.000 0.468 360 G N 0.105 108.907 108.800 0.004 0.000 2.241 360 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.244 360 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.244 360 G C 0.115 175.015 174.900 0.000 0.000 0.998 360 G CA 0.454 45.555 45.100 0.002 0.000 0.621 360 G HN 0.494 nan 8.290 nan 0.000 0.519 361 R N 0.758 121.259 120.500 0.001 0.000 2.297 361 R HA 0.618 4.958 4.340 -0.001 0.000 0.308 361 R C 0.506 176.805 176.300 -0.000 0.000 1.029 361 R CA -0.840 55.259 56.100 -0.002 0.000 0.929 361 R CB 0.247 30.546 30.300 -0.002 0.000 1.046 361 R HN 0.252 nan 8.270 nan 0.000 0.461 362 I N 5.800 126.366 120.570 -0.005 0.000 2.598 362 I HA -0.074 4.096 4.170 -0.001 0.000 0.284 362 I C 1.291 177.407 176.117 -0.002 0.000 1.140 362 I CA 0.093 61.390 61.300 -0.005 0.000 1.420 362 I CB 1.153 39.143 38.000 -0.016 0.000 1.387 362 I HN 0.601 nan 8.210 nan 0.000 0.553 363 V N 2.571 122.491 119.914 0.009 0.000 3.502 363 V HA 0.627 4.747 4.120 -0.001 0.000 0.288 363 V C 0.499 176.611 176.094 0.030 0.000 1.461 363 V CA 0.340 62.650 62.300 0.016 0.000 1.029 363 V CB 0.168 32.004 31.823 0.022 0.000 0.843 363 V HN 0.820 nan 8.190 nan 0.000 0.438 364 G N -0.822 107.997 108.800 0.032 0.000 2.547 364 G HA2 0.841 4.801 3.960 -0.001 0.000 0.291 364 G HA3 0.841 4.801 3.960 -0.001 0.000 0.291 364 G C -1.428 173.503 174.900 0.052 0.000 1.471 364 G CA -0.027 45.105 45.100 0.053 0.000 0.798 364 G HN 1.202 nan 8.290 nan 0.000 0.504 365 A N -0.424 122.446 122.820 0.082 0.000 2.612 365 A HA 0.938 5.258 4.320 -0.001 0.000 0.293 365 A C -0.690 177.001 177.584 0.178 0.000 1.075 365 A CA -0.477 51.621 52.037 0.102 0.000 0.680 365 A CB 1.803 20.836 19.000 0.054 0.000 1.279 365 A HN 1.219 nan 8.150 nan 0.000 0.411 366 T N 0.444 115.085 114.554 0.145 0.000 2.916 366 T HA 0.580 4.929 4.350 -0.001 0.000 0.298 366 T C -1.074 173.630 174.700 0.007 0.000 1.031 366 T CA -0.224 61.923 62.100 0.078 0.000 0.993 366 T CB 1.078 69.978 68.868 0.054 0.000 1.045 366 T HN 0.862 nan 8.240 nan 0.000 0.454 367 C N 2.708 121.929 119.300 -0.132 0.000 2.441 367 C HA 0.756 5.215 4.460 -0.001 0.000 0.318 367 C C -0.154 174.593 174.990 -0.405 0.000 1.222 367 C CA -0.749 58.128 59.018 -0.236 0.000 1.474 367 C CB 1.000 28.658 27.740 -0.136 0.000 2.125 367 C HN 0.710 nan 8.230 nan 0.000 0.479 368 V N 4.693 124.254 119.914 -0.588 0.000 2.378 368 V HA 0.401 4.521 4.120 -0.001 0.000 0.288 368 V C -0.099 175.755 176.094 -0.400 0.000 1.016 368 V CA -0.311 61.633 62.300 -0.592 0.000 0.840 368 V CB 1.200 32.394 31.823 -1.048 0.000 0.994 368 V HN 0.985 nan 8.190 nan 0.000 0.431 369 N N 3.872 122.418 118.700 -0.257 0.000 2.727 369 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 369 N C 0.068 175.492 175.510 -0.144 0.000 1.048 369 N CA 0.909 53.859 53.050 -0.166 0.000 0.714 369 N CB -0.860 37.553 38.487 -0.124 0.000 0.959 369 N HN 0.804 nan 8.380 nan 0.000 0.544 370 N N -1.137 117.470 118.700 -0.156 0.000 2.636 370 N HA 0.399 5.138 4.740 -0.001 0.000 0.287 370 N C 0.785 176.252 175.510 -0.072 0.000 1.817 370 N CA 0.367 53.354 53.050 -0.105 0.000 0.842 370 N CB 0.220 38.640 38.487 -0.111 0.000 1.353 370 N HN 0.219 nan 8.380 nan 0.000 0.500 371 A N 0.512 123.286 122.820 -0.077 0.000 1.978 371 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 371 A C 2.458 180.046 177.584 0.007 0.000 1.170 371 A CA 2.270 54.280 52.037 -0.045 0.000 0.636 371 A CB -0.528 18.433 19.000 -0.064 0.000 0.810 371 A HN 0.512 nan 8.150 nan 0.000 0.448 372 R N -0.052 120.441 120.500 -0.012 0.000 2.117 372 R HA -0.199 4.140 4.340 -0.001 0.000 0.243 372 R C 1.689 177.989 176.300 0.000 0.000 1.143 372 R CA 2.150 58.244 56.100 -0.009 0.000 0.968 372 R CB -1.427 28.863 30.300 -0.016 0.000 0.863 372 R HN 0.627 nan 8.270 nan 0.000 0.444 373 D N -1.340 119.068 120.400 0.014 0.000 2.323 373 D HA 0.038 4.678 4.640 -0.001 0.000 0.209 373 D C 1.428 177.754 176.300 0.043 0.000 0.973 373 D CA 0.335 54.345 54.000 0.016 0.000 0.874 373 D CB -0.191 40.618 40.800 0.014 0.000 0.930 373 D HN 0.403 nan 8.370 nan 0.000 0.521 374 F N 2.000 121.883 119.950 -0.112 0.000 2.146 374 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 374 F C 2.188 177.886 175.800 -0.170 0.000 1.096 374 F CA 1.061 58.975 58.000 -0.142 0.000 1.275 374 F CB -0.331 38.571 39.000 -0.164 0.000 1.008 374 F HN -0.069 nan 8.300 nan 0.000 0.480 375 A N 0.841 123.575 122.820 -0.144 0.000 1.865 375 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 375 A C -0.090 177.357 177.584 -0.228 0.000 1.191 375 A CA 2.072 53.967 52.037 -0.236 0.000 0.623 375 A CB -2.241 16.684 19.000 -0.126 0.000 0.826 375 A HN 0.341 nan 8.150 nan 0.000 0.444 376 P HA -0.133 nan 4.420 nan 0.000 0.215 376 P C 1.476 178.686 177.300 -0.151 0.000 1.153 376 P CA 0.913 63.940 63.100 -0.121 0.000 0.853 376 P CB -0.174 31.481 31.700 -0.076 0.000 0.788 377 L N -1.114 120.001 121.223 -0.180 0.000 2.083 377 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 377 L C 2.701 179.409 176.870 -0.269 0.000 1.083 377 L CA 1.485 56.211 54.840 -0.189 0.000 0.752 377 L CB -0.544 41.426 42.059 -0.150 0.000 0.899 377 L HN -0.106 nan 8.230 nan 0.000 0.433 378 R N -0.256 119.980 120.500 -0.439 0.000 2.115 378 R HA -0.160 4.179 4.340 -0.001 0.000 0.230 378 R C 2.731 178.880 176.300 -0.251 0.000 1.111 378 R CA 1.475 57.312 56.100 -0.437 0.000 0.976 378 R CB -0.410 29.491 30.300 -0.665 0.000 0.870 378 R HN 0.371 nan 8.270 nan 0.000 0.445 379 R N 1.252 121.627 120.500 -0.208 0.000 2.066 379 R HA -0.034 4.306 4.340 -0.001 0.000 0.232 379 R C 2.235 178.475 176.300 -0.101 0.000 1.131 379 R CA 1.307 57.328 56.100 -0.132 0.000 0.955 379 R CB -1.456 28.778 30.300 -0.110 0.000 0.851 379 R HN 0.163 nan 8.270 nan 0.000 0.432 380 L N 0.022 121.184 121.223 -0.101 0.000 2.042 380 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 380 L C 2.742 179.571 176.870 -0.067 0.000 1.076 380 L CA 1.343 56.139 54.840 -0.073 0.000 0.749 380 L CB -0.514 41.506 42.059 -0.066 0.000 0.893 380 L HN 0.377 nan 8.230 nan 0.000 0.432 381 L N 0.315 121.487 121.223 -0.086 0.000 2.042 381 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 381 L C 2.606 179.441 176.870 -0.057 0.000 1.076 381 L CA 2.100 56.898 54.840 -0.069 0.000 0.749 381 L CB -0.741 41.266 42.059 -0.087 0.000 0.893 381 L HN 0.166 nan 8.230 nan 0.000 0.432 382 A N -0.963 121.815 122.820 -0.069 0.000 1.972 382 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 382 A C 2.053 179.612 177.584 -0.042 0.000 1.169 382 A CA 1.899 53.904 52.037 -0.054 0.000 0.635 382 A CB -1.041 17.924 19.000 -0.060 0.000 0.810 382 A HN 0.551 nan 8.150 nan 0.000 0.446 383 V N -3.844 116.046 119.914 -0.041 0.000 3.647 383 V HA 0.510 4.630 4.120 -0.001 0.000 0.279 383 V C 1.200 177.279 176.094 -0.025 0.000 1.314 383 V CA 0.436 62.718 62.300 -0.030 0.000 1.125 383 V CB -1.017 30.788 31.823 -0.029 0.000 0.907 383 V HN 1.474 nan 8.190 nan 0.000 0.434 384 G N 0.829 109.613 108.800 -0.027 0.000 2.314 384 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.292 384 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.292 384 G C 0.330 175.219 174.900 -0.018 0.000 1.059 384 G CA 0.304 45.392 45.100 -0.020 0.000 0.982 384 G HN 1.705 nan 8.290 nan 0.000 0.505 385 A N -0.174 122.632 122.820 -0.023 0.000 2.498 385 A HA 0.539 4.858 4.320 -0.001 0.000 0.239 385 A C 0.889 178.464 177.584 -0.015 0.000 1.068 385 A CA 0.590 52.614 52.037 -0.021 0.000 0.766 385 A CB 0.337 19.320 19.000 -0.027 0.000 1.003 385 A HN 0.507 nan 8.150 nan 0.000 0.497 386 K N 2.776 123.168 120.400 -0.012 0.000 2.602 386 K HA 0.296 4.615 4.320 -0.001 0.000 0.201 386 K C -2.583 174.012 176.600 -0.009 0.000 1.070 386 K CA -1.201 55.081 56.287 -0.009 0.000 1.026 386 K CB 0.630 33.126 32.500 -0.006 0.000 1.534 386 K HN 0.558 nan 8.250 nan 0.000 0.560 387 P HA 0.070 nan 4.420 nan 0.000 0.276 387 P C -0.668 176.628 177.300 -0.006 0.000 1.252 387 P CA -0.626 62.469 63.100 -0.009 0.000 0.802 387 P CB 0.592 32.285 31.700 -0.012 0.000 1.035 388 D N -0.265 120.131 120.400 -0.006 0.000 2.472 388 D HA 0.141 4.781 4.640 -0.001 0.000 0.248 388 D C 1.546 177.844 176.300 -0.003 0.000 1.174 388 D CA 0.228 54.225 54.000 -0.004 0.000 0.883 388 D CB 0.614 41.412 40.800 -0.004 0.000 1.149 388 D HN 0.324 nan 8.370 nan 0.000 0.488 389 R N 3.608 124.107 120.500 -0.002 0.000 2.115 389 R HA 0.021 4.361 4.340 -0.001 0.000 0.230 389 R C 2.187 178.487 176.300 -0.001 0.000 1.111 389 R CA 1.775 57.875 56.100 -0.000 0.000 0.976 389 R CB -1.314 28.986 30.300 0.001 0.000 0.870 389 R HN 0.652 nan 8.270 nan 0.000 0.445 390 A N 0.890 123.709 122.820 -0.001 0.000 1.877 390 A HA 0.210 4.530 4.320 -0.001 0.000 0.216 390 A C 2.827 180.410 177.584 -0.002 0.000 1.186 390 A CA 1.919 53.955 52.037 -0.001 0.000 0.620 390 A CB -0.870 18.129 19.000 -0.002 0.000 0.822 390 A HN 0.917 nan 8.150 nan 0.000 0.443 391 A N -0.344 122.474 122.820 -0.003 0.000 1.902 391 A HA -0.035 4.285 4.320 -0.001 0.000 0.217 391 A C 2.163 179.745 177.584 -0.003 0.000 1.181 391 A CA 1.447 53.482 52.037 -0.003 0.000 0.623 391 A CB -0.611 18.386 19.000 -0.005 0.000 0.818 391 A HN 0.472 nan 8.150 nan 0.000 0.443 392 L N -0.958 120.264 121.223 -0.002 0.000 2.079 392 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 392 L C 3.000 179.872 176.870 0.003 0.000 1.081 392 L CA 1.155 55.995 54.840 -0.000 0.000 0.752 392 L CB -0.401 41.658 42.059 0.001 0.000 0.896 392 L HN 0.472 nan 8.230 nan 0.000 0.433 393 A N -1.476 121.345 122.820 0.002 0.000 1.975 393 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 393 A C 0.960 178.545 177.584 0.002 0.000 1.170 393 A CA 0.227 52.266 52.037 0.003 0.000 0.656 393 A CB -0.283 18.717 19.000 0.001 0.000 0.821 393 A HN 0.281 nan 8.150 nan 0.000 0.449 394 D N 0.644 121.044 120.400 0.000 0.000 2.412 394 D HA 0.073 4.713 4.640 -0.001 0.000 0.257 394 D C -1.342 174.958 176.300 0.000 0.000 1.217 394 D CA -1.690 52.310 54.000 -0.001 0.000 0.897 394 D CB 1.057 41.856 40.800 -0.002 0.000 1.132 394 D HN 0.142 nan 8.370 nan 0.000 0.493 395 P HA -0.115 nan 4.420 nan 0.000 0.222 395 P C 0.861 178.161 177.300 -0.000 0.000 1.147 395 P CA 0.664 63.765 63.100 0.002 0.000 0.790 395 P CB 0.162 31.863 31.700 0.002 0.000 0.780 396 A N -0.376 122.443 122.820 -0.001 0.000 2.121 396 A HA -0.012 4.308 4.320 -0.001 0.000 0.218 396 A C 1.186 178.768 177.584 -0.003 0.000 1.154 396 A CA 0.877 52.913 52.037 -0.002 0.000 0.679 396 A CB -1.476 17.522 19.000 -0.002 0.000 0.795 396 A HN 0.182 nan 8.150 nan 0.000 0.458 397 T N 1.658 116.210 114.554 -0.003 0.000 2.870 397 T HA 0.220 4.570 4.350 -0.001 0.000 0.300 397 T C -0.368 174.328 174.700 -0.006 0.000 0.989 397 T CA -0.064 62.033 62.100 -0.005 0.000 1.139 397 T CB 0.757 69.622 68.868 -0.005 0.000 0.920 397 T HN 0.307 nan 8.240 nan 0.000 0.537 398 D N 3.066 123.460 120.400 -0.009 0.000 2.313 398 D HA 0.172 4.811 4.640 -0.001 0.000 0.239 398 D C 1.043 177.335 176.300 -0.014 0.000 1.142 398 D CA -0.481 53.513 54.000 -0.011 0.000 0.847 398 D CB 0.775 41.569 40.800 -0.011 0.000 1.082 398 D HN 0.411 nan 8.370 nan 0.000 0.480 399 L N 3.351 124.564 121.223 -0.016 0.000 2.217 399 L HA -0.054 4.285 4.340 -0.001 0.000 0.211 399 L C 2.353 179.205 176.870 -0.030 0.000 1.107 399 L CA 0.449 55.275 54.840 -0.023 0.000 0.783 399 L CB -0.177 41.868 42.059 -0.023 0.000 0.919 399 L HN 0.311 nan 8.230 nan 0.000 0.442 400 R N 0.850 121.334 120.500 -0.028 0.000 2.092 400 R HA -0.127 4.212 4.340 -0.001 0.000 0.231 400 R C 2.210 178.493 176.300 -0.027 0.000 1.119 400 R CA 1.390 57.471 56.100 -0.031 0.000 0.970 400 R CB -0.039 30.244 30.300 -0.027 0.000 0.864 400 R HN 0.206 nan 8.270 nan 0.000 0.440 401 K N -0.207 120.180 120.400 -0.021 0.000 2.026 401 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 401 K C 1.968 178.556 176.600 -0.020 0.000 1.048 401 K CA 1.472 57.748 56.287 -0.018 0.000 0.929 401 K CB -0.352 32.139 32.500 -0.015 0.000 0.713 401 K HN 0.073 nan 8.250 nan 0.000 0.439 402 L N 1.174 122.385 121.223 -0.021 0.000 2.013 402 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 402 L C 2.319 179.173 176.870 -0.027 0.000 1.073 402 L CA 1.899 56.726 54.840 -0.022 0.000 0.753 402 L CB -0.663 41.383 42.059 -0.022 0.000 0.890 402 L HN 0.185 nan 8.230 nan 0.000 0.432 403 A N -1.156 121.644 122.820 -0.034 0.000 1.902 403 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 403 A C 2.401 179.964 177.584 -0.035 0.000 1.181 403 A CA 1.705 53.717 52.037 -0.041 0.000 0.623 403 A CB -1.002 17.965 19.000 -0.055 0.000 0.818 403 A HN 0.487 nan 8.150 nan 0.000 0.443 404 A N -0.398 122.405 122.820 -0.029 0.000 1.969 404 A HA 0.265 4.585 4.320 -0.001 0.000 0.218 404 A C 2.395 179.968 177.584 -0.020 0.000 1.169 404 A CA 1.726 53.749 52.037 -0.024 0.000 0.635 404 A CB -0.745 18.242 19.000 -0.021 0.000 0.810 404 A HN 0.973 nan 8.150 nan 0.000 0.445 405 A N -0.480 122.329 122.820 -0.019 0.000 1.968 405 A HA 0.305 4.625 4.320 -0.001 0.000 0.217 405 A C 1.316 178.891 177.584 -0.015 0.000 1.169 405 A CA 0.942 52.970 52.037 -0.015 0.000 0.638 405 A CB -0.607 18.384 19.000 -0.014 0.000 0.812 405 A HN 0.276 nan 8.150 nan 0.000 0.446 406 V N 0.000 119.903 119.914 -0.019 0.000 2.409 406 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 406 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 406 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556