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 3dbh_1_G DATA FIRST_RESID 6 DATA SEQUENCE KLLKEQKYDR QLRLWGDHGQ EALESAHVCL INATATGTEI LKNLVLPGIG DATA SEQUENCE SFTIIDGNQV SGEDAGNNFF LQRSSIGKNR AEAAMEFLQE LNSDVSGSFV DATA SEQUENCE EESPENLLDN DPSFFCRFTV VVATQLPEST SLRLADVLWN SQIPLLICRT DATA SEQUENCE YGLVGYMRII IKEHPVIESH PDNALEDLRL DKPFPELREH FQSYDLDHXX DATA SEQUENCE XXDHSHTPWI VIIAKYLAQW YSETNGRIPK TYKEKEDFRD LIRQGILKXX DATA SEQUENCE XXXXXDEENF EEAIKNVNTA LNTTQIPSSI EDIFNDDRCI NITKQTPSFW DATA SEQUENCE ILARALKEFV AKEGQGNLPV RGTIPDMIAD SGKYIKLQNV YREKAKKDAA DATA SEQUENCE AVGNHVAKLL QSIGQAPESI SEKELKLLCS NSAFLRVVRC RSLAEEYGLD DATA SEQUENCE TINKDEIISS MDNPDNEIVL YLMLRAVDRF HKQQGRYPGV SNYQVEEDIG DATA SEQUENCE KLKSCLTGFL QEYGLSVMVK DDYVHEFCRY GAAEPHTIAA FLGGAAAQEV DATA SEQUENCE IKIITKQFVI FNNTYIYSGM SQTSATFQL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.623 176.600 0.038 0.000 0.988 6 K CA 0.000 56.305 56.287 0.031 0.000 0.838 6 K CB 0.000 32.515 32.500 0.024 0.000 1.064 7 L N 2.189 123.429 121.223 0.029 0.000 2.599 7 L HA 0.275 4.615 4.340 -0.000 0.000 0.230 7 L C 1.030 177.912 176.870 0.019 0.000 1.141 7 L CA 0.303 55.162 54.840 0.031 0.000 0.877 7 L CB 0.129 42.203 42.059 0.024 0.000 1.009 7 L HN 0.294 nan 8.230 nan 0.000 0.447 8 L N -0.257 120.973 121.223 0.010 0.000 2.217 8 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 8 L C 2.265 179.112 176.870 -0.040 0.000 1.107 8 L CA 1.642 56.474 54.840 -0.013 0.000 0.783 8 L CB -0.470 41.582 42.059 -0.012 0.000 0.919 8 L HN 0.220 nan 8.230 nan 0.000 0.442 9 K N -0.562 119.835 120.400 -0.004 0.000 2.031 9 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 9 K C 1.929 178.536 176.600 0.012 0.000 1.049 9 K CA 1.359 57.633 56.287 -0.022 0.000 0.939 9 K CB -0.137 32.482 32.500 0.199 0.000 0.717 9 K HN 0.391 nan 8.250 nan 0.000 0.438 10 E N 1.521 121.776 120.200 0.092 0.000 2.147 10 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 10 E C 1.895 178.517 176.600 0.038 0.000 1.005 10 E CA 1.489 57.950 56.400 0.102 0.000 0.810 10 E CB 0.118 29.862 29.700 0.074 0.000 0.736 10 E HN 0.321 nan 8.360 nan 0.000 0.460 11 Q N 0.070 119.862 119.800 -0.014 0.000 2.083 11 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 11 Q C 2.198 178.151 176.000 -0.078 0.000 0.969 11 Q CA 1.419 57.201 55.803 -0.036 0.000 0.838 11 Q CB -0.106 28.608 28.738 -0.039 0.000 0.900 11 Q HN 0.156 nan 8.270 nan 0.000 0.436 12 K N 0.352 120.649 120.400 -0.171 0.000 2.057 12 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 12 K C 1.110 177.555 176.600 -0.257 0.000 1.050 12 K CA 1.174 57.288 56.287 -0.289 0.000 0.935 12 K CB 0.041 32.230 32.500 -0.518 0.000 0.715 12 K HN 0.225 nan 8.250 nan 0.000 0.439 13 Y N 0.915 121.225 120.300 0.016 0.000 2.461 13 Y HA -0.019 4.531 4.550 -0.000 0.000 0.277 13 Y C 1.731 177.608 175.900 -0.038 0.000 1.182 13 Y CA -0.083 58.023 58.100 0.010 0.000 1.276 13 Y CB 0.009 38.504 38.460 0.059 0.000 1.087 13 Y HN 0.274 nan 8.280 nan 0.000 0.519 14 D N 1.306 121.743 120.400 0.062 0.000 2.160 14 D HA -0.254 4.386 4.640 -0.000 0.000 0.189 14 D C 1.851 178.123 176.300 -0.046 0.000 1.003 14 D CA 1.508 55.513 54.000 0.009 0.000 0.846 14 D CB 0.254 41.048 40.800 -0.010 0.000 0.949 14 D HN 0.197 nan 8.370 nan 0.000 0.446 15 R N 0.269 120.735 120.500 -0.056 0.000 2.139 15 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 15 R C 2.367 178.543 176.300 -0.207 0.000 1.145 15 R CA 1.542 57.578 56.100 -0.106 0.000 0.976 15 R CB -0.741 29.509 30.300 -0.084 0.000 0.866 15 R HN 0.686 nan 8.270 nan 0.000 0.449 16 Q N -0.448 119.199 119.800 -0.256 0.000 2.339 16 Q HA 0.084 4.424 4.340 -0.000 0.000 0.205 16 Q C 1.959 177.483 176.000 -0.793 0.000 0.925 16 Q CA 0.330 55.758 55.803 -0.626 0.000 0.898 16 Q CB -0.270 28.064 28.738 -0.673 0.000 1.013 16 Q HN 0.220 nan 8.270 nan 0.000 0.504 17 L N 0.754 121.749 121.223 -0.380 0.000 2.353 17 L HA -0.059 4.281 4.340 -0.000 0.000 0.220 17 L C 2.086 178.827 176.870 -0.215 0.000 1.133 17 L CA 0.930 55.619 54.840 -0.251 0.000 0.798 17 L CB -0.163 41.871 42.059 -0.041 0.000 0.922 17 L HN 0.174 nan 8.230 nan 0.000 0.445 18 R N -0.659 119.704 120.500 -0.229 0.000 2.313 18 R HA 0.080 4.420 4.340 -0.000 0.000 0.199 18 R C 1.517 177.708 176.300 -0.182 0.000 0.958 18 R CA 0.380 56.390 56.100 -0.149 0.000 1.047 18 R CB 0.176 30.404 30.300 -0.121 0.000 0.955 18 R HN 0.377 nan 8.270 nan 0.000 0.481 19 L N -1.943 119.081 121.223 -0.332 0.000 2.515 19 L HA 0.135 4.475 4.340 -0.000 0.000 0.202 19 L C 1.073 177.900 176.870 -0.072 0.000 1.056 19 L CA 0.198 54.871 54.840 -0.278 0.000 0.847 19 L CB 0.169 41.944 42.059 -0.474 0.000 1.131 19 L HN 0.306 nan 8.230 nan 0.000 0.484 20 W N -0.396 120.898 121.300 -0.009 0.000 2.714 20 W HA 0.677 5.337 4.660 -0.000 0.000 0.353 20 W C 0.685 177.057 176.519 -0.244 0.000 0.999 20 W CA -0.382 56.929 57.345 -0.056 0.000 1.629 20 W CB -0.965 28.487 29.460 -0.013 0.000 1.106 20 W HN 0.058 nan 8.180 nan 0.000 0.545 21 G N 2.025 110.854 108.800 0.048 0.000 2.907 21 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.242 21 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.242 21 G C 0.531 175.479 174.900 0.080 0.000 1.448 21 G CA 0.320 45.460 45.100 0.066 0.000 0.911 21 G HN 0.137 nan 8.290 nan 0.000 0.553 22 D N 0.211 120.707 120.400 0.160 0.000 2.133 22 D HA -0.186 4.454 4.640 -0.000 0.000 0.192 22 D C 2.161 178.544 176.300 0.138 0.000 1.001 22 D CA 2.225 56.321 54.000 0.159 0.000 0.844 22 D CB -0.407 40.495 40.800 0.169 0.000 0.944 22 D HN 0.796 nan 8.370 nan 0.000 0.447 23 H N -0.681 118.450 119.070 0.102 0.000 2.423 23 H HA 0.055 4.611 4.556 -0.000 0.000 0.297 23 H C 2.139 177.503 175.328 0.061 0.000 1.075 23 H CA 1.490 57.579 56.048 0.068 0.000 1.342 23 H CB -0.908 28.886 29.762 0.053 0.000 1.395 23 H HN 0.179 nan 8.280 nan 0.000 0.530 24 G N 0.636 109.189 108.800 -0.412 0.000 2.404 24 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 24 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 24 G C 1.787 176.522 174.900 -0.276 0.000 1.174 24 G CA 0.748 45.671 45.100 -0.295 0.000 0.780 24 G HN 0.390 nan 8.290 nan 0.000 0.537 25 Q N 0.632 120.409 119.800 -0.038 0.000 2.135 25 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 25 Q C 2.367 178.315 176.000 -0.087 0.000 0.981 25 Q CA 1.864 57.643 55.803 -0.040 0.000 0.856 25 Q CB -0.281 28.506 28.738 0.081 0.000 0.902 25 Q HN 0.677 nan 8.270 nan 0.000 0.425 26 E N -0.610 119.570 120.200 -0.033 0.000 2.051 26 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 26 E C 1.915 178.484 176.600 -0.050 0.000 0.991 26 E CA 0.943 57.331 56.400 -0.020 0.000 0.799 26 E CB -0.284 29.430 29.700 0.023 0.000 0.748 26 E HN 0.475 nan 8.360 nan 0.000 0.449 27 A N 1.215 123.993 122.820 -0.070 0.000 1.892 27 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 27 A C 2.173 179.686 177.584 -0.118 0.000 1.188 27 A CA 1.277 53.264 52.037 -0.083 0.000 0.631 27 A CB -0.676 18.264 19.000 -0.099 0.000 0.822 27 A HN 0.155 nan 8.150 nan 0.000 0.447 28 L N 0.121 121.225 121.223 -0.198 0.000 1.976 28 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 28 L C 2.254 179.050 176.870 -0.123 0.000 1.071 28 L CA 2.272 56.986 54.840 -0.211 0.000 0.746 28 L CB -0.672 41.190 42.059 -0.328 0.000 0.890 28 L HN 0.505 nan 8.230 nan 0.000 0.432 29 E N -1.353 118.779 120.200 -0.113 0.000 2.510 29 E HA -0.113 4.237 4.350 -0.000 0.000 0.202 29 E C 1.507 178.081 176.600 -0.043 0.000 1.072 29 E CA 0.770 57.129 56.400 -0.069 0.000 0.883 29 E CB -0.057 29.609 29.700 -0.057 0.000 0.818 29 E HN 0.418 nan 8.360 nan 0.000 0.548 30 S N -0.177 115.499 115.700 -0.041 0.000 2.540 30 S HA 0.229 4.699 4.470 -0.000 0.000 0.222 30 S C 0.525 175.123 174.600 -0.003 0.000 1.008 30 S CA -0.254 57.933 58.200 -0.022 0.000 0.939 30 S CB 0.832 64.022 63.200 -0.017 0.000 0.865 30 S HN 0.260 nan 8.310 nan 0.000 0.499 31 A N 1.359 124.179 122.820 -0.000 0.000 2.257 31 A HA 0.650 4.970 4.320 -0.000 0.000 0.289 31 A C -0.343 177.315 177.584 0.123 0.000 1.095 31 A CA -0.280 51.786 52.037 0.048 0.000 0.836 31 A CB 0.319 19.331 19.000 0.021 0.000 1.111 31 A HN 0.560 nan 8.150 nan 0.000 0.497 32 H N -0.397 118.710 119.070 0.060 0.000 3.108 32 H HA 0.511 5.067 4.556 -0.000 0.000 0.329 32 H C -1.677 173.784 175.328 0.221 0.000 0.978 32 H CA -0.694 55.431 56.048 0.129 0.000 1.413 32 H CB 1.252 31.072 29.762 0.096 0.000 1.670 32 H HN 0.444 nan 8.280 nan 0.000 0.512 33 V N 4.557 124.726 119.914 0.426 0.000 2.539 33 V HA 0.170 4.290 4.120 -0.000 0.000 0.292 33 V C 0.141 176.296 176.094 0.102 0.000 1.045 33 V CA -0.673 61.753 62.300 0.210 0.000 0.945 33 V CB 1.346 33.242 31.823 0.122 0.000 0.993 33 V HN 0.826 nan 8.190 nan 0.000 0.464 34 C N 6.806 125.951 119.300 -0.258 0.000 2.303 34 C HA 0.755 5.215 4.460 -0.000 0.000 0.326 34 C C -0.456 174.396 174.990 -0.230 0.000 1.285 34 C CA -0.630 58.044 59.018 -0.573 0.000 1.675 34 C CB 0.166 27.017 27.740 -1.482 0.000 2.289 34 C HN 0.820 nan 8.230 nan 0.000 0.512 35 L N 7.869 129.032 121.223 -0.098 0.000 2.296 35 L HA 0.510 4.850 4.340 -0.000 0.000 0.286 35 L C 0.494 177.364 176.870 0.000 0.000 1.023 35 L CA -0.119 54.691 54.840 -0.050 0.000 0.812 35 L CB 1.161 43.191 42.059 -0.048 0.000 1.223 35 L HN 0.667 nan 8.230 nan 0.000 0.421 36 I N 3.171 123.743 120.570 0.003 0.000 3.059 36 I HA 0.118 4.288 4.170 -0.000 0.000 0.270 36 I C 0.066 176.220 176.117 0.062 0.000 1.238 36 I CA 0.523 61.853 61.300 0.051 0.000 1.478 36 I CB -1.028 36.990 38.000 0.031 0.000 1.097 36 I HN 0.691 nan 8.210 nan 0.000 0.455 37 N N -0.657 118.067 118.700 0.039 0.000 2.406 37 N HA 0.390 5.130 4.740 -0.000 0.000 0.283 37 N C -0.033 175.496 175.510 0.030 0.000 1.074 37 N CA -0.238 52.839 53.050 0.044 0.000 0.916 37 N CB 2.201 40.712 38.487 0.039 0.000 1.639 37 N HN -0.063 nan 8.380 nan 0.000 0.485 38 A N 1.005 123.850 122.820 0.042 0.000 2.416 38 A HA 0.113 4.433 4.320 -0.000 0.000 0.252 38 A C 0.850 178.460 177.584 0.043 0.000 1.353 38 A CA -0.136 51.925 52.037 0.039 0.000 0.996 38 A CB -1.166 17.867 19.000 0.055 0.000 0.961 38 A HN 0.666 nan 8.150 nan 0.000 0.523 39 T N -3.622 110.951 114.554 0.032 0.000 2.701 39 T HA 0.434 4.784 4.350 -0.000 0.000 0.303 39 T C 1.521 176.246 174.700 0.041 0.000 1.030 39 T CA -0.056 62.062 62.100 0.029 0.000 1.010 39 T CB 0.853 69.727 68.868 0.009 0.000 1.007 39 T HN 0.558 nan 8.240 nan 0.000 0.532 40 A N 0.699 123.548 122.820 0.048 0.000 1.940 40 A HA -0.061 4.258 4.320 -0.000 0.000 0.219 40 A C 2.502 180.087 177.584 0.003 0.000 1.176 40 A CA 2.171 54.254 52.037 0.075 0.000 0.631 40 A CB -1.827 17.228 19.000 0.091 0.000 0.814 40 A HN 0.928 nan 8.150 nan 0.000 0.446 41 T N -0.267 114.271 114.554 -0.027 0.000 2.708 41 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 41 T C 1.994 176.672 174.700 -0.036 0.000 1.037 41 T CA 1.528 63.603 62.100 -0.043 0.000 1.146 41 T CB -0.732 68.124 68.868 -0.020 0.000 0.865 41 T HN 0.581 nan 8.240 nan 0.000 0.435 42 G N 0.585 109.372 108.800 -0.021 0.000 2.421 42 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 42 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 42 G C 1.749 176.606 174.900 -0.071 0.000 1.171 42 G CA 1.365 46.441 45.100 -0.040 0.000 0.775 42 G HN 0.432 nan 8.290 nan 0.000 0.543 43 T N 0.371 114.905 114.554 -0.033 0.000 2.759 43 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 43 T C 2.324 176.986 174.700 -0.063 0.000 1.042 43 T CA 1.465 63.535 62.100 -0.050 0.000 1.140 43 T CB -0.122 68.827 68.868 0.136 0.000 0.864 43 T HN 0.187 nan 8.240 nan 0.000 0.455 44 E N 0.587 120.795 120.200 0.014 0.000 2.152 44 E HA 0.038 4.388 4.350 -0.000 0.000 0.192 44 E C 2.199 178.756 176.600 -0.071 0.000 0.983 44 E CA 0.599 57.005 56.400 0.011 0.000 0.818 44 E CB -0.262 29.406 29.700 -0.053 0.000 0.758 44 E HN 0.543 nan 8.360 nan 0.000 0.467 45 I N 0.345 120.856 120.570 -0.099 0.000 2.252 45 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 45 I C 2.261 178.289 176.117 -0.148 0.000 1.102 45 I CA 0.485 61.715 61.300 -0.116 0.000 1.385 45 I CB -0.095 37.844 38.000 -0.101 0.000 1.064 45 I HN 0.087 nan 8.210 nan 0.000 0.414 46 L N 1.016 122.114 121.223 -0.208 0.000 2.056 46 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 46 L C 2.476 179.158 176.870 -0.313 0.000 1.078 46 L CA 1.760 56.410 54.840 -0.315 0.000 0.749 46 L CB -0.889 40.886 42.059 -0.473 0.000 0.901 46 L HN 0.131 nan 8.230 nan 0.000 0.433 47 K N -0.080 120.132 120.400 -0.314 0.000 2.074 47 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 47 K C 1.584 178.137 176.600 -0.079 0.000 1.048 47 K CA 1.742 57.889 56.287 -0.234 0.000 0.926 47 K CB -0.368 32.087 32.500 -0.075 0.000 0.713 47 K HN 0.431 nan 8.250 nan 0.000 0.444 48 N N 0.800 119.458 118.700 -0.070 0.000 2.512 48 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 48 N C 1.731 177.224 175.510 -0.028 0.000 1.073 48 N CA 0.622 53.650 53.050 -0.037 0.000 0.911 48 N CB 0.128 38.579 38.487 -0.061 0.000 0.964 48 N HN 0.298 nan 8.380 nan 0.000 0.447 49 L N -0.606 120.582 121.223 -0.058 0.000 2.388 49 L HA 0.110 4.450 4.340 -0.000 0.000 0.209 49 L C 2.012 178.886 176.870 0.008 0.000 1.061 49 L CA 0.237 55.054 54.840 -0.038 0.000 0.834 49 L CB -0.144 41.877 42.059 -0.063 0.000 1.029 49 L HN -0.147 nan 8.230 nan 0.000 0.473 50 V N 0.582 120.492 119.914 -0.007 0.000 2.515 50 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 50 V C 2.384 178.550 176.094 0.120 0.000 1.058 50 V CA 1.456 63.802 62.300 0.076 0.000 1.064 50 V CB -0.281 31.564 31.823 0.036 0.000 0.675 50 V HN 0.327 nan 8.190 nan 0.000 0.461 51 L N -0.230 121.055 121.223 0.103 0.000 2.056 51 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 51 L C -0.047 176.967 176.870 0.241 0.000 1.078 51 L CA 1.642 56.577 54.840 0.159 0.000 0.749 51 L CB -1.505 40.630 42.059 0.127 0.000 0.901 51 L HN 0.378 nan 8.230 nan 0.000 0.433 52 P HA -0.017 nan 4.420 nan 0.000 0.229 52 P C 0.629 177.923 177.300 -0.010 0.000 1.160 52 P CA 1.323 64.541 63.100 0.197 0.000 0.777 52 P CB 0.228 32.048 31.700 0.200 0.000 0.814 53 G N -1.077 107.757 108.800 0.057 0.000 2.151 53 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.156 53 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.156 53 G C -0.086 174.791 174.900 -0.038 0.000 1.017 53 G CA -0.618 44.471 45.100 -0.018 0.000 0.686 53 G HN 0.278 nan 8.290 nan 0.000 0.503 54 I N 2.081 122.653 120.570 0.004 0.000 2.821 54 I HA 0.399 4.569 4.170 -0.000 0.000 0.294 54 I C 1.824 177.959 176.117 0.030 0.000 1.210 54 I CA 1.341 62.645 61.300 0.007 0.000 1.430 54 I CB 0.511 38.544 38.000 0.055 0.000 1.356 54 I HN 0.360 nan 8.210 nan 0.000 0.563 55 G N 5.471 114.267 108.800 -0.008 0.000 2.681 55 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 55 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 55 G C 0.366 175.225 174.900 -0.068 0.000 1.210 55 G CA 1.214 46.295 45.100 -0.031 0.000 0.783 55 G HN 0.981 nan 8.290 nan 0.000 0.609 56 S N -1.651 113.989 115.700 -0.099 0.000 2.588 56 S HA 0.686 5.156 4.470 -0.000 0.000 0.269 56 S C -0.948 173.605 174.600 -0.078 0.000 1.157 56 S CA -0.690 57.347 58.200 -0.272 0.000 0.824 56 S CB 2.092 64.948 63.200 -0.572 0.000 1.126 56 S HN 1.170 nan 8.310 nan 0.000 0.464 57 F N -1.626 118.317 119.950 -0.012 0.000 2.662 57 F HA 0.923 5.450 4.527 -0.000 0.000 0.312 57 F C -1.128 174.845 175.800 0.289 0.000 1.113 57 F CA -0.812 57.317 58.000 0.216 0.000 0.951 57 F CB 1.443 40.504 39.000 0.101 0.000 1.344 57 F HN 0.606 nan 8.300 nan 0.000 0.462 58 T N 2.835 117.751 114.554 0.603 0.000 2.991 58 T HA 0.576 4.925 4.350 -0.000 0.000 0.303 58 T C -0.795 174.125 174.700 0.367 0.000 1.015 58 T CA -0.385 61.991 62.100 0.460 0.000 1.007 58 T CB 1.282 70.438 68.868 0.481 0.000 1.034 58 T HN 0.624 nan 8.240 nan 0.000 0.446 59 I N 3.736 124.549 120.570 0.406 0.000 2.331 59 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 59 I C -0.243 176.040 176.117 0.276 0.000 0.998 59 I CA -0.786 60.685 61.300 0.286 0.000 1.267 59 I CB 1.194 39.361 38.000 0.279 0.000 1.386 59 I HN 0.451 nan 8.210 nan 0.000 0.476 60 I N 5.821 126.518 120.570 0.212 0.000 2.339 60 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 60 I C -0.686 175.537 176.117 0.177 0.000 0.994 60 I CA -0.091 61.346 61.300 0.228 0.000 1.191 60 I CB 1.256 39.417 38.000 0.268 0.000 1.343 60 I HN 0.570 nan 8.210 nan 0.000 0.458 61 D N 4.008 124.507 120.400 0.165 0.000 2.688 61 D HA 0.184 4.824 4.640 -0.000 0.000 0.210 61 D C 0.393 176.757 176.300 0.106 0.000 1.333 61 D CA -0.280 53.793 54.000 0.122 0.000 0.920 61 D CB 2.161 43.021 40.800 0.100 0.000 1.554 61 D HN 0.646 nan 8.370 nan 0.000 0.579 62 G N 2.709 111.566 108.800 0.095 0.000 2.539 62 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 62 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 62 G C 0.777 175.717 174.900 0.066 0.000 1.141 62 G CA -0.027 45.122 45.100 0.081 0.000 0.806 62 G HN 0.404 nan 8.290 nan 0.000 0.533 63 N N 1.059 119.798 118.700 0.064 0.000 2.416 63 N HA 0.110 4.850 4.740 -0.000 0.000 0.246 63 N C -0.026 175.510 175.510 0.043 0.000 1.260 63 N CA 0.348 53.431 53.050 0.054 0.000 0.897 63 N CB 0.725 39.244 38.487 0.054 0.000 1.110 63 N HN 0.278 nan 8.380 nan 0.000 0.439 64 Q N 0.111 119.934 119.800 0.038 0.000 2.222 64 Q HA 0.341 4.681 4.340 -0.000 0.000 0.252 64 Q C -0.556 175.460 176.000 0.027 0.000 0.926 64 Q CA -0.784 55.036 55.803 0.029 0.000 0.899 64 Q CB 1.486 30.241 28.738 0.028 0.000 1.250 64 Q HN 0.301 nan 8.270 nan 0.000 0.441 65 V N 3.108 123.035 119.914 0.022 0.000 2.450 65 V HA 0.009 4.129 4.120 -0.000 0.000 0.281 65 V C 0.471 176.576 176.094 0.019 0.000 1.019 65 V CA 0.092 62.405 62.300 0.021 0.000 1.062 65 V CB 0.035 31.870 31.823 0.021 0.000 0.979 65 V HN 0.838 nan 8.190 nan 0.000 0.477 66 S N 4.201 119.912 115.700 0.018 0.000 2.707 66 S HA 0.550 5.020 4.470 -0.000 0.000 0.276 66 S C 1.410 176.016 174.600 0.009 0.000 1.179 66 S CA -0.081 58.129 58.200 0.017 0.000 0.992 66 S CB 1.498 64.711 63.200 0.020 0.000 1.030 66 S HN 0.781 nan 8.310 nan 0.000 0.554 67 G N 0.835 109.640 108.800 0.008 0.000 2.480 67 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 67 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 67 G C 1.250 176.148 174.900 -0.003 0.000 1.200 67 G CA 0.993 46.094 45.100 0.002 0.000 0.782 67 G HN 0.984 nan 8.290 nan 0.000 0.554 68 E N 0.110 120.310 120.200 -0.000 0.000 2.265 68 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 68 E C 1.561 178.158 176.600 -0.005 0.000 0.996 68 E CA 1.172 57.569 56.400 -0.005 0.000 0.832 68 E CB -0.182 29.514 29.700 -0.007 0.000 0.756 68 E HN 0.265 nan 8.360 nan 0.000 0.491 69 D N 1.320 121.721 120.400 0.001 0.000 2.097 69 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 69 D C 1.969 178.268 176.300 -0.003 0.000 0.984 69 D CA 1.773 55.776 54.000 0.005 0.000 0.826 69 D CB -0.178 40.629 40.800 0.012 0.000 0.973 69 D HN 0.352 nan 8.370 nan 0.000 0.460 70 A N 0.330 123.141 122.820 -0.016 0.000 2.119 70 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 70 A C 2.201 179.755 177.584 -0.051 0.000 1.153 70 A CA 1.609 53.620 52.037 -0.043 0.000 0.692 70 A CB -0.530 18.444 19.000 -0.043 0.000 0.799 70 A HN 0.289 nan 8.150 nan 0.000 0.458 71 G N 0.798 109.579 108.800 -0.031 0.000 2.430 71 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 71 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 71 G C 1.060 175.942 174.900 -0.029 0.000 1.146 71 G CA 0.907 45.987 45.100 -0.033 0.000 0.793 71 G HN 0.848 nan 8.290 nan 0.000 0.537 72 N N -1.287 117.415 118.700 0.003 0.000 2.200 72 N HA 0.101 4.841 4.740 -0.000 0.000 0.224 72 N C -0.177 175.421 175.510 0.147 0.000 1.179 72 N CA -0.436 52.647 53.050 0.055 0.000 0.877 72 N CB 0.310 38.850 38.487 0.088 0.000 1.072 72 N HN -0.011 nan 8.380 nan 0.000 0.519 73 N N 0.649 119.388 118.700 0.066 0.000 2.372 73 N HA 0.112 4.852 4.740 -0.000 0.000 0.291 73 N C -0.876 174.635 175.510 0.002 0.000 1.024 73 N CA -0.534 52.586 53.050 0.117 0.000 0.873 73 N CB 1.151 39.687 38.487 0.082 0.000 1.206 73 N HN 0.085 nan 8.380 nan 0.000 0.486 74 F N 2.959 122.804 119.950 -0.175 0.000 2.780 74 F HA 0.297 4.824 4.527 -0.000 0.000 0.299 74 F C 0.074 175.346 175.800 -0.880 0.000 1.146 74 F CA 0.209 57.893 58.000 -0.526 0.000 1.428 74 F CB 0.098 38.748 39.000 -0.584 0.000 1.115 74 F HN 0.395 nan 8.300 nan 0.000 0.583 75 F N 1.277 121.108 119.950 -0.197 0.000 2.908 75 F HA 0.412 4.939 4.527 -0.000 0.000 0.328 75 F C -0.645 174.849 175.800 -0.511 0.000 1.211 75 F CA -0.204 57.585 58.000 -0.351 0.000 1.291 75 F CB 0.186 39.177 39.000 -0.015 0.000 0.962 75 F HN -0.331 nan 8.300 nan 0.000 0.505 76 L N 0.428 121.291 121.223 -0.599 0.000 2.505 76 L HA 0.419 4.759 4.340 -0.000 0.000 0.259 76 L C -0.822 175.760 176.870 -0.479 0.000 0.952 76 L CA -0.756 53.829 54.840 -0.425 0.000 0.840 76 L CB 2.602 44.591 42.059 -0.117 0.000 1.358 76 L HN -0.014 nan 8.230 nan 0.000 0.409 77 Q N 1.133 120.756 119.800 -0.296 0.000 2.418 77 Q HA 0.425 4.765 4.340 -0.000 0.000 0.276 77 Q C 0.424 176.386 176.000 -0.063 0.000 1.081 77 Q CA -0.812 54.886 55.803 -0.176 0.000 0.864 77 Q CB 2.502 31.214 28.738 -0.044 0.000 1.384 77 Q HN 0.525 nan 8.270 nan 0.000 0.467 78 R N 0.533 121.005 120.500 -0.047 0.000 2.091 78 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 78 R C 1.712 178.013 176.300 0.002 0.000 1.136 78 R CA 2.184 58.270 56.100 -0.023 0.000 0.959 78 R CB -0.170 30.118 30.300 -0.020 0.000 0.856 78 R HN 0.703 nan 8.270 nan 0.000 0.437 79 S N -0.520 115.193 115.700 0.021 0.000 2.547 79 S HA -0.017 4.453 4.470 -0.000 0.000 0.235 79 S C 1.724 176.355 174.600 0.051 0.000 0.980 79 S CA 1.075 59.298 58.200 0.038 0.000 0.941 79 S CB 0.184 63.415 63.200 0.053 0.000 0.763 79 S HN 0.206 nan 8.310 nan 0.000 0.532 80 S N 1.306 117.040 115.700 0.058 0.000 2.446 80 S HA 0.276 4.746 4.470 -0.000 0.000 0.225 80 S C 0.729 175.349 174.600 0.034 0.000 1.016 80 S CA -0.120 58.120 58.200 0.067 0.000 0.943 80 S CB -0.458 62.790 63.200 0.080 0.000 0.786 80 S HN 0.518 nan 8.310 nan 0.000 0.508 81 I N 1.957 122.539 120.570 0.020 0.000 2.906 81 I HA 0.053 4.223 4.170 -0.000 0.000 0.302 81 I C 1.601 177.728 176.117 0.017 0.000 1.220 81 I CA 0.896 62.205 61.300 0.015 0.000 1.441 81 I CB -0.017 37.988 38.000 0.009 0.000 1.336 81 I HN 0.431 nan 8.210 nan 0.000 0.565 82 G N 4.689 113.499 108.800 0.017 0.000 2.317 82 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.227 82 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.227 82 G C 0.434 175.342 174.900 0.014 0.000 1.042 82 G CA -0.246 44.864 45.100 0.016 0.000 0.623 82 G HN 0.554 nan 8.290 nan 0.000 0.509 83 K N 0.815 121.222 120.400 0.011 0.000 2.117 83 K HA 0.334 4.654 4.320 -0.000 0.000 0.240 83 K C 0.364 176.960 176.600 -0.007 0.000 1.031 83 K CA -0.415 55.871 56.287 -0.001 0.000 0.909 83 K CB 0.376 32.873 32.500 -0.005 0.000 1.097 83 K HN 0.238 nan 8.250 nan 0.000 0.492 84 N N 1.807 120.487 118.700 -0.034 0.000 2.442 84 N HA -0.045 4.695 4.740 -0.000 0.000 0.265 84 N C 0.762 176.243 175.510 -0.048 0.000 1.138 84 N CA 0.194 53.221 53.050 -0.038 0.000 0.956 84 N CB 0.736 39.186 38.487 -0.062 0.000 1.067 84 N HN 0.491 nan 8.380 nan 0.000 0.474 85 R N 3.490 123.988 120.500 -0.004 0.000 2.103 85 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 85 R C 1.670 177.975 176.300 0.009 0.000 1.142 85 R CA 2.018 58.126 56.100 0.015 0.000 0.960 85 R CB -0.287 30.033 30.300 0.034 0.000 0.858 85 R HN 0.754 nan 8.270 nan 0.000 0.439 86 A N 0.869 123.689 122.820 0.000 0.000 1.858 86 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 86 A C 2.009 179.523 177.584 -0.117 0.000 1.190 86 A CA 1.648 53.699 52.037 0.023 0.000 0.617 86 A CB -0.660 18.408 19.000 0.114 0.000 0.827 86 A HN 0.583 nan 8.150 nan 0.000 0.443 87 E N -0.143 119.781 120.200 -0.459 0.000 2.153 87 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 87 E C 1.989 178.391 176.600 -0.331 0.000 0.988 87 E CA 1.034 56.879 56.400 -0.924 0.000 0.811 87 E CB -0.224 28.687 29.700 -1.314 0.000 0.746 87 E HN 0.535 nan 8.360 nan 0.000 0.466 88 A N 1.107 123.849 122.820 -0.129 0.000 1.897 88 A HA 0.058 4.378 4.320 -0.000 0.000 0.215 88 A C 2.391 180.113 177.584 0.230 0.000 1.181 88 A CA 1.393 53.463 52.037 0.054 0.000 0.620 88 A CB -0.646 18.410 19.000 0.095 0.000 0.821 88 A HN 0.396 nan 8.150 nan 0.000 0.443 89 A N -0.659 122.274 122.820 0.188 0.000 1.877 89 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 89 A C 2.240 179.977 177.584 0.255 0.000 1.186 89 A CA 1.834 54.025 52.037 0.256 0.000 0.620 89 A CB -0.583 18.501 19.000 0.140 0.000 0.822 89 A HN 0.510 nan 8.150 nan 0.000 0.443 90 M N -0.095 119.625 119.600 0.201 0.000 2.144 90 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 90 M C 1.794 178.240 176.300 0.243 0.000 1.067 90 M CA 2.170 57.648 55.300 0.296 0.000 1.095 90 M CB -0.571 32.242 32.600 0.356 0.000 1.365 90 M HN 0.587 nan 8.290 nan 0.000 0.406 91 E N -0.922 119.354 120.200 0.127 0.000 2.150 91 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 91 E C 1.703 178.259 176.600 -0.074 0.000 0.985 91 E CA 1.303 57.692 56.400 -0.019 0.000 0.814 91 E CB -0.143 29.452 29.700 -0.176 0.000 0.752 91 E HN 0.518 nan 8.360 nan 0.000 0.466 92 F N 0.496 120.532 119.950 0.144 0.000 2.219 92 F HA -0.002 4.525 4.527 -0.000 0.000 0.294 92 F C 2.104 178.073 175.800 0.282 0.000 1.086 92 F CA 0.483 58.605 58.000 0.202 0.000 1.330 92 F CB -0.143 39.008 39.000 0.251 0.000 1.047 92 F HN -0.081 nan 8.300 nan 0.000 0.495 93 L N -0.212 121.237 121.223 0.377 0.000 2.046 93 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 93 L C 2.557 179.549 176.870 0.204 0.000 1.077 93 L CA 1.250 56.141 54.840 0.086 0.000 0.747 93 L CB -0.592 41.343 42.059 -0.206 0.000 0.896 93 L HN 0.149 nan 8.230 nan 0.000 0.432 94 Q N 0.766 120.722 119.800 0.260 0.000 2.096 94 Q HA -0.289 4.051 4.340 -0.000 0.000 0.208 94 Q C 1.866 177.966 176.000 0.167 0.000 0.993 94 Q CA 1.910 57.847 55.803 0.223 0.000 0.862 94 Q CB -0.187 28.642 28.738 0.153 0.000 0.915 94 Q HN 0.420 nan 8.270 nan 0.000 0.416 95 E N -0.531 119.762 120.200 0.155 0.000 2.448 95 E HA -0.173 4.177 4.350 -0.000 0.000 0.203 95 E C 1.541 178.238 176.600 0.161 0.000 1.046 95 E CA 0.574 57.055 56.400 0.135 0.000 0.871 95 E CB -0.125 29.655 29.700 0.134 0.000 0.790 95 E HN 0.439 nan 8.360 nan 0.000 0.545 96 L N 0.004 121.342 121.223 0.192 0.000 2.270 96 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 96 L C 0.892 177.851 176.870 0.149 0.000 1.104 96 L CA 0.325 55.278 54.840 0.188 0.000 0.804 96 L CB 0.305 42.486 42.059 0.204 0.000 0.937 96 L HN 0.026 nan 8.230 nan 0.000 0.450 97 N N -1.085 117.702 118.700 0.145 0.000 2.812 97 N HA -0.016 4.724 4.740 -0.000 0.000 0.262 97 N C 0.505 176.084 175.510 0.115 0.000 1.241 97 N CA 0.187 53.317 53.050 0.134 0.000 0.854 97 N CB 1.215 39.806 38.487 0.174 0.000 1.506 97 N HN -0.068 nan 8.380 nan 0.000 0.576 98 S N 1.071 116.821 115.700 0.083 0.000 2.584 98 S HA -0.070 4.400 4.470 -0.000 0.000 0.240 98 S C 0.351 174.984 174.600 0.056 0.000 0.975 98 S CA 0.863 59.099 58.200 0.060 0.000 0.949 98 S CB 0.032 63.257 63.200 0.041 0.000 0.761 98 S HN 0.395 nan 8.310 nan 0.000 0.536 99 D N 0.649 121.099 120.400 0.084 0.000 2.369 99 D HA 0.246 4.886 4.640 -0.000 0.000 0.211 99 D C -0.026 176.312 176.300 0.064 0.000 1.077 99 D CA 0.066 54.115 54.000 0.083 0.000 0.842 99 D CB 0.579 41.465 40.800 0.142 0.000 0.947 99 D HN 0.316 nan 8.370 nan 0.000 0.509 100 V N 0.849 120.805 119.914 0.069 0.000 2.532 100 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 100 V C 0.484 176.540 176.094 -0.064 0.000 1.041 100 V CA -0.691 61.634 62.300 0.043 0.000 0.926 100 V CB 1.964 33.882 31.823 0.158 0.000 0.992 100 V HN -0.121 nan 8.190 nan 0.000 0.457 101 S N 2.738 118.328 115.700 -0.184 0.000 2.452 101 S HA 0.602 5.072 4.470 -0.000 0.000 0.284 101 S C 0.431 174.660 174.600 -0.618 0.000 1.171 101 S CA -0.343 57.679 58.200 -0.296 0.000 1.064 101 S CB 1.176 64.209 63.200 -0.278 0.000 0.967 101 S HN 1.050 nan 8.310 nan 0.000 0.484 102 G N 1.788 110.260 108.800 -0.547 0.000 2.434 102 G HA2 0.661 4.621 3.960 -0.000 0.000 0.330 102 G HA3 0.661 4.621 3.960 -0.000 0.000 0.330 102 G C -0.788 173.899 174.900 -0.355 0.000 1.155 102 G CA -0.433 44.191 45.100 -0.794 0.000 0.917 102 G HN 0.640 nan 8.290 nan 0.000 0.493 103 S N -1.148 114.442 115.700 -0.183 0.000 2.567 103 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 103 S C -1.460 173.290 174.600 0.250 0.000 1.152 103 S CA -0.577 57.624 58.200 0.002 0.000 0.835 103 S CB 1.372 64.571 63.200 -0.001 0.000 1.115 103 S HN 1.070 nan 8.310 nan 0.000 0.459 104 F N -0.846 119.187 119.950 0.137 0.000 2.631 104 F HA 0.895 5.422 4.527 -0.000 0.000 0.308 104 F C -1.671 174.212 175.800 0.138 0.000 1.097 104 F CA -1.068 57.027 58.000 0.159 0.000 0.952 104 F CB 0.966 40.049 39.000 0.139 0.000 1.307 104 F HN 0.274 nan 8.300 nan 0.000 0.450 105 V N 1.924 122.058 119.914 0.366 0.000 2.380 105 V HA 0.273 4.393 4.120 -0.000 0.000 0.286 105 V C 0.045 176.303 176.094 0.274 0.000 1.015 105 V CA -0.576 61.856 62.300 0.219 0.000 0.834 105 V CB 1.212 33.129 31.823 0.157 0.000 1.009 105 V HN 0.937 nan 8.190 nan 0.000 0.428 106 E N 2.789 123.164 120.200 0.292 0.000 2.357 106 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 106 E C 0.571 177.243 176.600 0.120 0.000 1.177 106 E CA 0.027 56.554 56.400 0.213 0.000 0.998 106 E CB 0.334 30.161 29.700 0.212 0.000 1.106 106 E HN 0.656 nan 8.360 nan 0.000 0.470 107 E N 0.078 120.337 120.200 0.099 0.000 3.751 107 E HA 0.336 4.685 4.350 -0.000 0.000 0.281 107 E C -0.051 176.603 176.600 0.091 0.000 1.086 107 E CA -0.377 56.060 56.400 0.063 0.000 1.579 107 E CB 0.861 30.564 29.700 0.005 0.000 1.666 107 E HN -0.004 nan 8.360 nan 0.000 0.655 108 S N -0.830 114.925 115.700 0.091 0.000 2.564 108 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 108 S C -2.328 172.361 174.600 0.149 0.000 1.124 108 S CA -1.493 56.776 58.200 0.114 0.000 0.869 108 S CB 1.405 64.661 63.200 0.093 0.000 1.105 108 S HN -0.063 nan 8.310 nan 0.000 0.472 109 P HA -0.134 nan 4.420 nan 0.000 0.216 109 P C 1.202 178.610 177.300 0.180 0.000 1.157 109 P CA 1.299 64.525 63.100 0.209 0.000 0.880 109 P CB 0.139 31.926 31.700 0.144 0.000 0.791 110 E N -0.857 119.420 120.200 0.128 0.000 2.031 110 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 110 E C 1.887 178.550 176.600 0.104 0.000 0.994 110 E CA 0.974 57.439 56.400 0.107 0.000 0.800 110 E CB -1.391 28.361 29.700 0.087 0.000 0.752 110 E HN 0.276 nan 8.360 nan 0.000 0.447 111 N N 1.333 120.088 118.700 0.092 0.000 2.137 111 N HA -0.177 4.562 4.740 -0.000 0.000 0.190 111 N C 1.949 177.500 175.510 0.070 0.000 1.017 111 N CA 1.108 54.199 53.050 0.068 0.000 0.859 111 N CB -0.249 38.269 38.487 0.052 0.000 1.002 111 N HN 0.169 nan 8.380 nan 0.000 0.428 112 L N 0.261 121.550 121.223 0.109 0.000 2.049 112 L HA -0.001 4.339 4.340 -0.000 0.000 0.203 112 L C 2.442 179.428 176.870 0.193 0.000 1.074 112 L CA 0.488 55.399 54.840 0.119 0.000 0.749 112 L CB -0.479 41.688 42.059 0.180 0.000 0.907 112 L HN 0.072 nan 8.230 nan 0.000 0.439 113 L N -0.058 121.322 121.223 0.260 0.000 2.450 113 L HA -0.244 4.096 4.340 -0.000 0.000 0.225 113 L C 2.136 179.095 176.870 0.148 0.000 1.145 113 L CA 0.912 55.893 54.840 0.235 0.000 0.801 113 L CB -0.450 41.717 42.059 0.179 0.000 0.924 113 L HN 0.429 nan 8.230 nan 0.000 0.447 114 D N -0.640 119.830 120.400 0.116 0.000 2.290 114 D HA -0.088 4.552 4.640 -0.000 0.000 0.224 114 D C 1.614 177.951 176.300 0.062 0.000 0.967 114 D CA 0.743 54.790 54.000 0.079 0.000 0.893 114 D CB 0.277 41.117 40.800 0.066 0.000 1.037 114 D HN 0.265 nan 8.370 nan 0.000 0.477 115 N N 0.453 119.182 118.700 0.049 0.000 2.240 115 N HA -0.079 4.661 4.740 -0.000 0.000 0.187 115 N C 0.233 175.758 175.510 0.026 0.000 1.042 115 N CA 0.723 53.787 53.050 0.024 0.000 0.861 115 N CB -0.176 38.308 38.487 -0.004 0.000 1.026 115 N HN 0.113 nan 8.380 nan 0.000 0.441 116 D N 1.045 121.457 120.400 0.020 0.000 2.590 116 D HA 0.278 4.918 4.640 -0.000 0.000 0.280 116 D C -1.879 174.491 176.300 0.118 0.000 1.197 116 D CA -2.266 51.754 54.000 0.033 0.000 0.967 116 D CB 1.054 41.823 40.800 -0.052 0.000 0.987 116 D HN -0.055 nan 8.370 nan 0.000 0.508 117 P HA -0.158 nan 4.420 nan 0.000 0.216 117 P C 1.288 178.746 177.300 0.263 0.000 1.150 117 P CA 1.070 64.303 63.100 0.221 0.000 0.843 117 P CB 0.147 31.943 31.700 0.160 0.000 0.787 118 S N -1.946 113.859 115.700 0.176 0.000 2.555 118 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 118 S C 1.692 176.372 174.600 0.133 0.000 0.978 118 S CA 0.009 58.299 58.200 0.149 0.000 0.934 118 S CB -1.631 61.620 63.200 0.085 0.000 0.766 118 S HN -0.014 nan 8.310 nan 0.000 0.533 119 F N 2.673 122.575 119.950 -0.080 0.000 2.176 119 F HA -0.128 4.399 4.527 -0.000 0.000 0.301 119 F C 1.146 176.769 175.800 -0.296 0.000 1.071 119 F CA 0.698 58.544 58.000 -0.257 0.000 1.289 119 F CB -0.818 37.933 39.000 -0.415 0.000 1.028 119 F HN 0.262 nan 8.300 nan 0.000 0.494 120 F N -1.371 118.594 119.950 0.025 0.000 2.811 120 F HA 0.012 4.539 4.527 -0.000 0.000 0.301 120 F C 2.227 177.994 175.800 -0.055 0.000 1.151 120 F CA 0.154 58.198 58.000 0.073 0.000 1.412 120 F CB -1.031 38.074 39.000 0.174 0.000 1.113 120 F HN -0.055 nan 8.300 nan 0.000 0.579 121 C N 0.503 119.787 119.300 -0.028 0.000 2.522 121 C HA -0.061 4.399 4.460 -0.000 0.000 0.271 121 C C 2.685 177.549 174.990 -0.210 0.000 1.425 121 C CA 0.446 59.427 59.018 -0.062 0.000 1.751 121 C CB -1.482 26.238 27.740 -0.033 0.000 1.775 121 C HN 0.517 nan 8.230 nan 0.000 0.557 122 R N -0.324 119.874 120.500 -0.503 0.000 2.240 122 R HA 0.090 4.430 4.340 -0.000 0.000 0.203 122 R C -0.005 175.882 176.300 -0.689 0.000 1.011 122 R CA 0.488 56.206 56.100 -0.637 0.000 1.007 122 R CB -0.376 29.399 30.300 -0.875 0.000 0.911 122 R HN 0.348 nan 8.270 nan 0.000 0.468 123 F N 1.007 120.822 119.950 -0.226 0.000 2.375 123 F HA 0.249 4.776 4.527 -0.000 0.000 0.333 123 F C 1.541 177.291 175.800 -0.084 0.000 1.104 123 F CA -0.609 57.276 58.000 -0.191 0.000 1.149 123 F CB 1.554 40.454 39.000 -0.167 0.000 1.190 123 F HN -0.216 nan 8.300 nan 0.000 0.533 124 T N 0.860 115.502 114.554 0.146 0.000 2.896 124 T HA 0.097 4.446 4.350 -0.000 0.000 0.263 124 T C 0.233 174.965 174.700 0.053 0.000 1.050 124 T CA 0.846 62.989 62.100 0.072 0.000 1.140 124 T CB 0.065 68.970 68.868 0.061 0.000 0.877 124 T HN 0.252 nan 8.240 nan 0.000 0.457 125 V N 0.607 120.566 119.914 0.075 0.000 3.048 125 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 125 V C -1.275 174.814 176.094 -0.008 0.000 1.214 125 V CA -1.002 61.306 62.300 0.013 0.000 0.984 125 V CB 2.726 34.534 31.823 -0.025 0.000 1.054 125 V HN -0.082 nan 8.190 nan 0.000 0.430 126 V N 3.407 123.288 119.914 -0.054 0.000 2.444 126 V HA 0.524 4.643 4.120 -0.000 0.000 0.294 126 V C -0.552 175.478 176.094 -0.107 0.000 1.022 126 V CA -0.589 61.636 62.300 -0.126 0.000 0.850 126 V CB 1.974 33.695 31.823 -0.169 0.000 0.992 126 V HN 0.588 nan 8.190 nan 0.000 0.426 127 V N 4.677 124.529 119.914 -0.104 0.000 2.334 127 V HA 0.750 4.870 4.120 -0.000 0.000 0.281 127 V C 0.399 176.457 176.094 -0.059 0.000 1.016 127 V CA -0.370 61.889 62.300 -0.068 0.000 0.832 127 V CB 1.531 33.317 31.823 -0.062 0.000 0.999 127 V HN 0.963 nan 8.190 nan 0.000 0.439 128 A N 4.152 126.948 122.820 -0.039 0.000 2.317 128 A HA 0.909 5.229 4.320 -0.000 0.000 0.327 128 A C 0.170 177.764 177.584 0.017 0.000 1.178 128 A CA -0.345 51.681 52.037 -0.018 0.000 0.817 128 A CB 1.289 20.272 19.000 -0.029 0.000 1.189 128 A HN 0.877 nan 8.150 nan 0.000 0.489 129 T N -0.299 114.269 114.554 0.025 0.000 2.906 129 T HA 0.527 4.877 4.350 -0.000 0.000 0.295 129 T C -0.505 174.220 174.700 0.042 0.000 1.061 129 T CA -0.617 61.507 62.100 0.039 0.000 1.000 129 T CB 1.372 70.252 68.868 0.019 0.000 1.103 129 T HN 0.756 nan 8.240 nan 0.000 0.486 130 Q N 0.608 120.437 119.800 0.049 0.000 2.439 130 Q HA -0.136 4.203 4.340 -0.000 0.000 0.325 130 Q C -0.685 175.334 176.000 0.032 0.000 1.372 130 Q CA 0.523 56.341 55.803 0.025 0.000 0.909 130 Q CB -1.968 26.766 28.738 -0.006 0.000 1.167 130 Q HN 0.728 nan 8.270 nan 0.000 0.418 131 L N 1.466 122.721 121.223 0.054 0.000 2.322 131 L HA 0.503 4.843 4.340 -0.000 0.000 0.279 131 L C -1.508 175.398 176.870 0.060 0.000 1.036 131 L CA -1.909 52.964 54.840 0.056 0.000 0.807 131 L CB 1.253 43.343 42.059 0.053 0.000 1.226 131 L HN -0.025 nan 8.230 nan 0.000 0.433 132 P HA 0.059 nan 4.420 nan 0.000 0.279 132 P C 0.229 177.562 177.300 0.055 0.000 1.239 132 P CA -0.343 62.796 63.100 0.065 0.000 0.789 132 P CB 1.294 33.036 31.700 0.070 0.000 0.933 133 E N 2.750 122.983 120.200 0.054 0.000 2.149 133 E HA -0.331 4.019 4.350 -0.000 0.000 0.215 133 E C 1.696 178.293 176.600 -0.006 0.000 1.055 133 E CA 2.921 59.336 56.400 0.025 0.000 0.870 133 E CB -0.361 29.387 29.700 0.081 0.000 0.764 133 E HN 0.543 nan 8.360 nan 0.000 0.463 134 S N -0.420 115.304 115.700 0.040 0.000 2.365 134 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 134 S C 2.139 176.748 174.600 0.015 0.000 1.039 134 S CA 2.032 60.251 58.200 0.030 0.000 1.033 134 S CB -1.167 62.069 63.200 0.059 0.000 0.887 134 S HN 0.396 nan 8.310 nan 0.000 0.447 135 T N 2.258 116.831 114.554 0.032 0.000 2.708 135 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 135 T C 2.186 176.884 174.700 -0.003 0.000 1.037 135 T CA 1.567 63.684 62.100 0.029 0.000 1.146 135 T CB -0.811 68.085 68.868 0.048 0.000 0.865 135 T HN 0.502 nan 8.240 nan 0.000 0.435 136 S N 1.541 117.231 115.700 -0.017 0.000 2.359 136 S HA -0.066 4.404 4.470 -0.000 0.000 0.222 136 S C 2.060 176.611 174.600 -0.082 0.000 1.038 136 S CA 1.096 59.270 58.200 -0.042 0.000 1.051 136 S CB -0.724 62.449 63.200 -0.046 0.000 0.944 136 S HN 0.337 nan 8.310 nan 0.000 0.433 137 L N 0.918 122.059 121.223 -0.137 0.000 1.997 137 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 137 L C 2.809 179.639 176.870 -0.066 0.000 1.074 137 L CA 1.951 56.701 54.840 -0.150 0.000 0.763 137 L CB -0.571 41.394 42.059 -0.157 0.000 0.890 137 L HN 0.329 nan 8.230 nan 0.000 0.434 138 R N 0.035 120.517 120.500 -0.030 0.000 2.080 138 R HA -0.239 4.101 4.340 -0.000 0.000 0.236 138 R C 2.367 178.669 176.300 0.004 0.000 1.137 138 R CA 1.875 57.976 56.100 0.003 0.000 0.943 138 R CB -0.390 29.924 30.300 0.024 0.000 0.846 138 R HN 0.190 nan 8.270 nan 0.000 0.431 139 L N 0.823 122.035 121.223 -0.018 0.000 2.017 139 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 139 L C 2.362 179.207 176.870 -0.042 0.000 1.073 139 L CA 2.258 57.063 54.840 -0.058 0.000 0.745 139 L CB -0.861 41.131 42.059 -0.112 0.000 0.894 139 L HN 0.318 nan 8.230 nan 0.000 0.432 140 A N -0.822 121.982 122.820 -0.027 0.000 1.958 140 A HA -0.355 3.965 4.320 -0.000 0.000 0.221 140 A C 2.025 179.660 177.584 0.086 0.000 1.178 140 A CA 2.264 54.312 52.037 0.019 0.000 0.642 140 A CB -1.171 17.824 19.000 -0.008 0.000 0.816 140 A HN 0.672 nan 8.150 nan 0.000 0.453 141 D N -0.960 119.471 120.400 0.051 0.000 2.077 141 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 141 D C 1.831 178.219 176.300 0.147 0.000 0.983 141 D CA 1.770 55.822 54.000 0.088 0.000 0.841 141 D CB -0.138 40.684 40.800 0.037 0.000 0.992 141 D HN 0.092 nan 8.370 nan 0.000 0.450 142 V N 0.680 120.653 119.914 0.099 0.000 2.278 142 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 142 V C 2.618 178.783 176.094 0.118 0.000 1.062 142 V CA 1.625 63.993 62.300 0.112 0.000 1.038 142 V CB -0.644 31.246 31.823 0.110 0.000 0.646 142 V HN 0.370 nan 8.190 nan 0.000 0.447 143 L N -1.156 120.114 121.223 0.078 0.000 2.141 143 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 143 L C 2.408 179.334 176.870 0.094 0.000 1.094 143 L CA 1.733 56.607 54.840 0.056 0.000 0.763 143 L CB -0.552 41.493 42.059 -0.025 0.000 0.908 143 L HN 0.610 nan 8.230 nan 0.000 0.437 144 W N 1.702 122.996 121.300 -0.009 0.000 2.358 144 W HA -0.192 4.468 4.660 -0.000 0.000 0.303 144 W C 1.969 178.496 176.519 0.014 0.000 1.208 144 W CA 1.414 58.759 57.345 0.000 0.000 1.274 144 W CB -0.289 29.172 29.460 0.002 0.000 1.138 144 W HN 0.263 nan 8.180 nan 0.000 0.515 145 N N 0.242 119.070 118.700 0.212 0.000 2.459 145 N HA -0.089 4.651 4.740 -0.000 0.000 0.181 145 N C 1.391 176.910 175.510 0.014 0.000 1.046 145 N CA 1.338 54.461 53.050 0.121 0.000 0.904 145 N CB -0.229 38.365 38.487 0.180 0.000 0.964 145 N HN 0.023 nan 8.380 nan 0.000 0.444 146 S N 0.677 116.384 115.700 0.010 0.000 2.575 146 S HA 0.067 4.537 4.470 -0.000 0.000 0.215 146 S C 0.220 174.789 174.600 -0.052 0.000 0.966 146 S CA -0.151 58.051 58.200 0.003 0.000 0.911 146 S CB 0.397 63.628 63.200 0.052 0.000 0.780 146 S HN 0.126 nan 8.310 nan 0.000 0.514 147 Q N 0.370 120.087 119.800 -0.139 0.000 2.494 147 Q HA -0.155 4.185 4.340 -0.000 0.000 0.266 147 Q C -0.492 175.434 176.000 -0.124 0.000 1.053 147 Q CA 0.714 56.403 55.803 -0.189 0.000 1.029 147 Q CB -2.098 26.558 28.738 -0.136 0.000 1.423 147 Q HN 0.454 nan 8.270 nan 0.000 0.516 148 I N 1.110 121.630 120.570 -0.084 0.000 2.353 148 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 148 I C -1.864 174.219 176.117 -0.058 0.000 0.992 148 I CA -2.288 58.989 61.300 -0.038 0.000 1.268 148 I CB 0.972 38.987 38.000 0.025 0.000 1.387 148 I HN -0.223 nan 8.210 nan 0.000 0.478 149 P HA 0.269 nan 4.420 nan 0.000 0.276 149 P C -0.790 176.476 177.300 -0.058 0.000 1.235 149 P CA -0.250 62.803 63.100 -0.077 0.000 0.772 149 P CB 0.812 32.450 31.700 -0.103 0.000 0.871 150 L N 4.919 126.114 121.223 -0.048 0.000 2.386 150 L HA 0.683 5.023 4.340 -0.000 0.000 0.271 150 L C -1.675 175.176 176.870 -0.032 0.000 0.993 150 L CA -0.814 53.999 54.840 -0.044 0.000 0.819 150 L CB 1.853 43.895 42.059 -0.028 0.000 1.294 150 L HN 0.130 nan 8.230 nan 0.000 0.414 151 L N 6.220 127.425 121.223 -0.029 0.000 2.372 151 L HA 0.626 4.965 4.340 -0.000 0.000 0.273 151 L C -1.290 175.589 176.870 0.016 0.000 0.989 151 L CA -0.103 54.738 54.840 0.002 0.000 0.841 151 L CB 1.215 43.278 42.059 0.006 0.000 1.225 151 L HN 0.562 nan 8.230 nan 0.000 0.414 152 I N 4.527 125.122 120.570 0.042 0.000 2.353 152 I HA 0.426 4.596 4.170 -0.000 0.000 0.293 152 I C -0.468 175.695 176.117 0.076 0.000 0.992 152 I CA -0.331 61.014 61.300 0.075 0.000 1.268 152 I CB 1.207 39.294 38.000 0.146 0.000 1.387 152 I HN 0.556 nan 8.210 nan 0.000 0.478 153 C N 5.535 124.895 119.300 0.101 0.000 2.614 153 C HA 0.746 5.206 4.460 -0.000 0.000 0.320 153 C C 0.018 175.122 174.990 0.189 0.000 1.200 153 C CA -0.679 58.407 59.018 0.113 0.000 1.700 153 C CB 2.038 29.811 27.740 0.054 0.000 2.275 153 C HN 0.793 nan 8.230 nan 0.000 0.492 154 R N 0.581 121.227 120.500 0.244 0.000 2.561 154 R HA 0.540 4.880 4.340 -0.000 0.000 0.266 154 R C -1.699 174.719 176.300 0.197 0.000 1.091 154 R CA -0.092 56.147 56.100 0.231 0.000 0.927 154 R CB 1.898 32.385 30.300 0.312 0.000 1.240 154 R HN 0.830 nan 8.270 nan 0.000 0.449 155 T N 3.165 117.781 114.554 0.103 0.000 2.786 155 T HA 0.363 4.713 4.350 -0.000 0.000 0.283 155 T C -1.605 173.090 174.700 -0.009 0.000 0.992 155 T CA -0.366 61.760 62.100 0.045 0.000 0.954 155 T CB 0.780 69.635 68.868 -0.023 0.000 0.934 155 T HN 0.412 nan 8.240 nan 0.000 0.440 156 Y N 2.213 122.422 120.300 -0.151 0.000 2.322 156 Y HA 0.484 5.034 4.550 -0.000 0.000 0.324 156 Y C 0.865 176.428 175.900 -0.562 0.000 1.027 156 Y CA 0.437 58.392 58.100 -0.242 0.000 1.179 156 Y CB 0.901 39.298 38.460 -0.106 0.000 1.136 156 Y HN 0.992 nan 8.280 nan 0.000 0.449 157 G N 3.661 111.968 108.800 -0.820 0.000 2.651 157 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.315 157 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.315 157 G C 0.296 174.632 174.900 -0.941 0.000 1.258 157 G CA 0.422 44.713 45.100 -1.349 0.000 1.002 157 G HN 0.628 nan 8.290 nan 0.000 0.551 158 L N 0.764 121.315 121.223 -1.119 0.000 2.629 158 L HA 0.311 4.651 4.340 -0.000 0.000 0.230 158 L C 0.983 177.638 176.870 -0.359 0.000 1.151 158 L CA 0.485 55.035 54.840 -0.484 0.000 0.924 158 L CB -0.249 41.635 42.059 -0.291 0.000 1.137 158 L HN 0.254 nan 8.230 nan 0.000 0.457 159 V N -0.204 119.502 119.914 -0.346 0.000 2.427 159 V HA 0.567 4.687 4.120 -0.000 0.000 0.286 159 V C 0.600 176.733 176.094 0.065 0.000 1.034 159 V CA -0.601 61.639 62.300 -0.100 0.000 0.893 159 V CB 1.564 33.405 31.823 0.031 0.000 0.982 159 V HN 0.340 nan 8.190 nan 0.000 0.452 160 G N 3.443 112.356 108.800 0.187 0.000 2.437 160 G HA2 0.502 4.462 3.960 -0.000 0.000 0.315 160 G HA3 0.502 4.462 3.960 -0.000 0.000 0.315 160 G C -1.424 173.667 174.900 0.318 0.000 1.210 160 G CA -0.310 44.973 45.100 0.305 0.000 0.943 160 G HN 0.568 nan 8.290 nan 0.000 0.471 161 Y N 2.800 123.208 120.300 0.179 0.000 2.360 161 Y HA 0.746 5.296 4.550 -0.000 0.000 0.337 161 Y C -0.309 175.718 175.900 0.211 0.000 1.039 161 Y CA -1.606 56.608 58.100 0.191 0.000 1.109 161 Y CB 2.127 40.694 38.460 0.178 0.000 1.201 161 Y HN 0.420 nan 8.280 nan 0.000 0.458 162 M N 7.438 126.781 119.600 -0.428 0.000 2.182 162 M HA 0.388 4.868 4.480 -0.000 0.000 0.266 162 M C -1.755 174.422 176.300 -0.205 0.000 0.989 162 M CA -0.536 54.617 55.300 -0.246 0.000 1.003 162 M CB 0.837 33.425 32.600 -0.020 0.000 1.812 162 M HN 0.561 nan 8.290 nan 0.000 0.472 163 R N 4.368 124.725 120.500 -0.239 0.000 2.393 163 R HA 0.586 4.926 4.340 -0.000 0.000 0.315 163 R C -1.667 174.667 176.300 0.057 0.000 0.952 163 R CA -0.401 55.679 56.100 -0.032 0.000 0.842 163 R CB 1.573 31.863 30.300 -0.017 0.000 1.163 163 R HN 0.890 nan 8.270 nan 0.000 0.450 164 I N 4.506 125.047 120.570 -0.048 0.000 2.498 164 I HA 0.472 4.642 4.170 -0.000 0.000 0.301 164 I C -0.691 175.359 176.117 -0.112 0.000 0.984 164 I CA -0.812 60.386 61.300 -0.170 0.000 1.204 164 I CB 1.199 38.872 38.000 -0.546 0.000 1.362 164 I HN 0.582 nan 8.210 nan 0.000 0.471 165 I N 8.491 129.031 120.570 -0.049 0.000 2.560 165 I HA 0.371 4.541 4.170 -0.000 0.000 0.278 165 I C -1.083 175.054 176.117 0.033 0.000 1.089 165 I CA -0.123 61.211 61.300 0.056 0.000 1.086 165 I CB 1.129 39.218 38.000 0.148 0.000 1.202 165 I HN 0.355 nan 8.210 nan 0.000 0.471 166 I N 5.276 125.845 120.570 -0.002 0.000 2.499 166 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 166 I C 1.022 177.103 176.117 -0.060 0.000 1.048 166 I CA -0.660 60.591 61.300 -0.082 0.000 1.062 166 I CB 2.453 40.375 38.000 -0.131 0.000 1.238 166 I HN 0.517 nan 8.210 nan 0.000 0.426 167 K N 4.205 124.445 120.400 -0.266 0.000 1.978 167 K HA -0.083 4.237 4.320 -0.000 0.000 0.214 167 K C 0.502 177.081 176.600 -0.035 0.000 1.049 167 K CA 1.715 57.839 56.287 -0.273 0.000 0.939 167 K CB 0.276 32.422 32.500 -0.591 0.000 0.721 167 K HN 0.673 nan 8.250 nan 0.000 0.441 168 E N -0.698 119.477 120.200 -0.042 0.000 2.292 168 E HA 0.115 4.465 4.350 -0.000 0.000 0.272 168 E C -1.882 174.744 176.600 0.043 0.000 0.881 168 E CA -0.692 55.728 56.400 0.032 0.000 0.754 168 E CB 1.343 31.091 29.700 0.081 0.000 1.201 168 E HN 0.287 nan 8.360 nan 0.000 0.425 169 H N 4.603 123.605 119.070 -0.114 0.000 3.036 169 H HA 0.440 4.996 4.556 -0.000 0.000 0.295 169 H C -2.821 172.337 175.328 -0.284 0.000 1.124 169 H CA -1.902 54.046 56.048 -0.167 0.000 1.507 169 H CB 1.261 30.947 29.762 -0.128 0.000 1.591 169 H HN 0.275 nan 8.280 nan 0.000 0.510 170 P HA 0.322 nan 4.420 nan 0.000 0.282 170 P C -1.275 175.448 177.300 -0.962 0.000 1.259 170 P CA -0.768 61.638 63.100 -1.156 0.000 0.826 170 P CB 1.861 32.340 31.700 -2.035 0.000 1.064 171 V N 2.741 122.232 119.914 -0.706 0.000 2.817 171 V HA 0.338 4.458 4.120 -0.000 0.000 0.303 171 V C 0.016 176.041 176.094 -0.116 0.000 1.151 171 V CA -0.360 61.719 62.300 -0.367 0.000 0.929 171 V CB 1.387 33.021 31.823 -0.314 0.000 1.030 171 V HN 0.436 nan 8.190 nan 0.000 0.427 172 I N 3.074 123.624 120.570 -0.034 0.000 2.556 172 I HA 0.245 4.415 4.170 -0.000 0.000 0.251 172 I C 1.172 177.254 176.117 -0.059 0.000 1.105 172 I CA 0.426 61.732 61.300 0.010 0.000 1.436 172 I CB 0.233 38.236 38.000 0.006 0.000 1.139 172 I HN 0.667 nan 8.210 nan 0.000 0.438 173 E N 1.825 121.944 120.200 -0.135 0.000 1.861 173 E HA 0.050 4.400 4.350 -0.000 0.000 0.263 173 E C 0.792 177.175 176.600 -0.361 0.000 1.137 173 E CA -0.104 56.118 56.400 -0.297 0.000 0.944 173 E CB 0.426 29.895 29.700 -0.386 0.000 1.092 173 E HN 0.316 nan 8.360 nan 0.000 0.420 174 S N 1.741 117.305 115.700 -0.227 0.000 2.558 174 S HA -0.079 4.391 4.470 -0.000 0.000 0.217 174 S C 0.539 175.056 174.600 -0.138 0.000 0.975 174 S CA -0.240 57.877 58.200 -0.138 0.000 0.912 174 S CB -0.030 63.167 63.200 -0.005 0.000 0.776 174 S HN 0.604 nan 8.310 nan 0.000 0.526 175 H N 2.258 121.184 119.070 -0.239 0.000 2.591 175 H HA -0.062 4.494 4.556 -0.000 0.000 0.325 175 H C -2.369 172.885 175.328 -0.122 0.000 1.096 175 H CA 0.895 56.815 56.048 -0.214 0.000 1.108 175 H CB -1.934 27.662 29.762 -0.275 0.000 1.590 175 H HN 0.525 nan 8.280 nan 0.000 0.399 176 P HA 0.059 nan 4.420 nan 0.000 0.275 176 P C 0.839 178.082 177.300 -0.096 0.000 1.228 176 P CA -0.288 62.728 63.100 -0.139 0.000 0.786 176 P CB 1.252 32.759 31.700 -0.321 0.000 0.927 177 D N 0.817 121.204 120.400 -0.022 0.000 2.077 177 D HA -0.037 4.603 4.640 -0.000 0.000 0.197 177 D C 0.544 176.825 176.300 -0.032 0.000 0.983 177 D CA 1.487 55.483 54.000 -0.007 0.000 0.841 177 D CB -0.048 40.761 40.800 0.014 0.000 0.992 177 D HN 0.440 nan 8.370 nan 0.000 0.450 178 N N -0.274 118.413 118.700 -0.021 0.000 2.404 178 N HA 0.601 5.341 4.740 -0.000 0.000 0.297 178 N C -0.969 174.536 175.510 -0.010 0.000 1.163 178 N CA -0.344 52.700 53.050 -0.010 0.000 0.864 178 N CB 2.633 41.129 38.487 0.014 0.000 1.247 178 N HN 0.045 nan 8.380 nan 0.000 0.510 179 A N 1.471 124.303 122.820 0.021 0.000 2.518 179 A HA 0.297 4.617 4.320 -0.000 0.000 0.295 179 A C -0.665 176.999 177.584 0.133 0.000 1.052 179 A CA -0.687 51.403 52.037 0.089 0.000 0.824 179 A CB 0.316 19.367 19.000 0.086 0.000 1.325 179 A HN 0.568 nan 8.150 nan 0.000 0.394 180 L N 2.343 123.648 121.223 0.136 0.000 2.640 180 L HA -0.068 4.272 4.340 -0.000 0.000 0.300 180 L C 0.925 177.888 176.870 0.155 0.000 1.259 180 L CA 0.766 55.685 54.840 0.132 0.000 0.879 180 L CB 0.268 42.399 42.059 0.120 0.000 1.125 180 L HN 0.637 nan 8.230 nan 0.000 0.507 181 E N 1.495 121.781 120.200 0.144 0.000 2.349 181 E HA 0.048 4.398 4.350 -0.000 0.000 0.262 181 E C -0.601 176.086 176.600 0.146 0.000 1.088 181 E CA -0.300 56.185 56.400 0.142 0.000 0.899 181 E CB 0.861 30.638 29.700 0.128 0.000 1.044 181 E HN 0.348 nan 8.360 nan 0.000 0.420 182 D N 1.635 122.122 120.400 0.145 0.000 2.781 182 D HA 0.165 4.805 4.640 -0.000 0.000 0.254 182 D C 0.681 177.137 176.300 0.261 0.000 1.213 182 D CA 0.004 54.104 54.000 0.165 0.000 0.994 182 D CB -0.429 40.447 40.800 0.128 0.000 1.019 182 D HN 0.244 nan 8.370 nan 0.000 0.514 183 L N 1.232 122.609 121.223 0.257 0.000 2.209 183 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 183 L C 0.804 177.926 176.870 0.420 0.000 1.094 183 L CA -0.029 55.025 54.840 0.356 0.000 0.790 183 L CB -0.428 41.774 42.059 0.239 0.000 0.932 183 L HN 0.340 nan 8.230 nan 0.000 0.447 184 R N 0.587 121.264 120.500 0.294 0.000 2.672 184 R HA -0.208 4.132 4.340 -0.000 0.000 0.268 184 R C -0.040 176.428 176.300 0.279 0.000 0.935 184 R CA 0.315 56.570 56.100 0.259 0.000 0.776 184 R CB -2.056 28.392 30.300 0.247 0.000 1.954 184 R HN 0.392 nan 8.270 nan 0.000 0.523 185 L N 0.851 122.214 121.223 0.232 0.000 2.470 185 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 185 L C 1.991 178.976 176.870 0.193 0.000 1.071 185 L CA 0.708 55.673 54.840 0.208 0.000 0.850 185 L CB -0.144 41.991 42.059 0.127 0.000 1.040 185 L HN 0.635 nan 8.230 nan 0.000 0.475 186 D N 0.435 120.939 120.400 0.174 0.000 2.317 186 D HA -0.150 4.490 4.640 -0.000 0.000 0.211 186 D C 0.698 177.083 176.300 0.140 0.000 0.966 186 D CA 0.756 54.850 54.000 0.156 0.000 0.876 186 D CB 0.161 41.029 40.800 0.113 0.000 0.927 186 D HN 0.224 nan 8.370 nan 0.000 0.519 187 K N 1.124 121.619 120.400 0.158 0.000 3.394 187 K HA 0.221 4.541 4.320 -0.000 0.000 0.175 187 K C -2.678 174.038 176.600 0.193 0.000 1.047 187 K CA -1.154 55.220 56.287 0.146 0.000 0.814 187 K CB 2.036 34.606 32.500 0.118 0.000 0.803 187 K HN 0.104 nan 8.250 nan 0.000 0.522 188 P HA -0.061 nan 4.420 nan 0.000 0.266 188 P C -0.362 177.028 177.300 0.150 0.000 1.195 188 P CA 0.114 63.317 63.100 0.172 0.000 0.768 188 P CB 0.246 32.043 31.700 0.162 0.000 0.838 189 F N 1.279 121.211 119.950 -0.029 0.000 2.408 189 F HA 0.561 5.088 4.527 -0.000 0.000 0.325 189 F C -1.611 174.154 175.800 -0.058 0.000 1.082 189 F CA -3.004 54.967 58.000 -0.048 0.000 1.032 189 F CB -1.029 37.924 39.000 -0.079 0.000 1.259 189 F HN 0.126 nan 8.300 nan 0.000 0.503 190 P HA -0.269 nan 4.420 nan 0.000 0.211 190 P C 1.029 178.222 177.300 -0.178 0.000 0.906 190 P CA 2.397 65.474 63.100 -0.039 0.000 1.017 190 P CB 0.006 31.729 31.700 0.039 0.000 0.717 191 E N -1.180 118.943 120.200 -0.129 0.000 2.253 191 E HA -0.214 4.136 4.350 -0.000 0.000 0.202 191 E C 1.814 178.149 176.600 -0.441 0.000 1.014 191 E CA 0.945 57.233 56.400 -0.185 0.000 0.823 191 E CB -1.044 28.629 29.700 -0.045 0.000 0.736 191 E HN 0.155 nan 8.360 nan 0.000 0.478 192 L N 0.497 121.162 121.223 -0.930 0.000 1.993 192 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 192 L C 2.273 178.678 176.870 -0.774 0.000 1.074 192 L CA 1.782 55.923 54.840 -1.164 0.000 0.746 192 L CB -0.405 40.578 42.059 -1.793 0.000 0.896 192 L HN -0.066 nan 8.230 nan 0.000 0.435 193 R N -0.280 119.945 120.500 -0.459 0.000 2.113 193 R HA -0.231 4.109 4.340 -0.000 0.000 0.244 193 R C 2.172 178.437 176.300 -0.059 0.000 1.142 193 R CA 2.195 58.232 56.100 -0.106 0.000 0.953 193 R CB -0.327 29.965 30.300 -0.013 0.000 0.860 193 R HN 0.559 nan 8.270 nan 0.000 0.438 194 E N -1.288 118.854 120.200 -0.096 0.000 2.130 194 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 194 E C 1.833 178.434 176.600 0.003 0.000 0.998 194 E CA 1.642 58.023 56.400 -0.032 0.000 0.806 194 E CB -0.204 29.471 29.700 -0.040 0.000 0.738 194 E HN 0.469 nan 8.360 nan 0.000 0.459 195 H N 0.078 119.044 119.070 -0.173 0.000 2.261 195 H HA -0.076 4.480 4.556 -0.000 0.000 0.301 195 H C 1.693 177.091 175.328 0.117 0.000 1.067 195 H CA 1.772 57.758 56.048 -0.104 0.000 1.297 195 H CB -0.533 29.053 29.762 -0.294 0.000 1.377 195 H HN 0.108 nan 8.280 nan 0.000 0.492 196 F N 0.512 120.529 119.950 0.112 0.000 2.214 196 F HA -0.312 4.215 4.527 -0.000 0.000 0.302 196 F C 2.530 178.375 175.800 0.075 0.000 1.063 196 F CA 1.138 59.174 58.000 0.060 0.000 1.319 196 F CB -0.095 38.922 39.000 0.029 0.000 1.046 196 F HN 0.397 nan 8.300 nan 0.000 0.505 197 Q N -0.860 119.076 119.800 0.226 0.000 2.212 197 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 197 Q C 2.322 178.382 176.000 0.101 0.000 0.950 197 Q CA 1.042 56.931 55.803 0.143 0.000 0.863 197 Q CB -0.140 28.651 28.738 0.089 0.000 0.944 197 Q HN 0.195 nan 8.270 nan 0.000 0.465 198 S N -0.372 115.358 115.700 0.050 0.000 2.465 198 S HA -0.110 4.360 4.470 -0.000 0.000 0.241 198 S C 0.033 174.595 174.600 -0.063 0.000 1.000 198 S CA 0.618 58.787 58.200 -0.052 0.000 0.964 198 S CB -0.037 63.062 63.200 -0.168 0.000 0.763 198 S HN 0.222 nan 8.310 nan 0.000 0.512 199 Y N 1.571 121.851 120.300 -0.033 0.000 2.308 199 Y HA 0.441 4.991 4.550 -0.000 0.000 0.329 199 Y C 0.134 176.065 175.900 0.052 0.000 1.111 199 Y CA -0.847 57.258 58.100 0.010 0.000 1.179 199 Y CB 0.783 39.260 38.460 0.029 0.000 1.201 199 Y HN 0.030 nan 8.280 nan 0.000 0.483 200 D N 3.324 123.867 120.400 0.238 0.000 2.381 200 D HA 0.201 4.841 4.640 -0.000 0.000 0.235 200 D C 0.278 176.742 176.300 0.274 0.000 1.068 200 D CA -0.187 53.946 54.000 0.222 0.000 0.832 200 D CB 1.322 42.228 40.800 0.177 0.000 1.101 200 D HN 0.614 nan 8.370 nan 0.000 0.515 201 L N 2.467 123.838 121.223 0.246 0.000 2.622 201 L HA -0.014 4.326 4.340 -0.000 0.000 0.233 201 L C 0.051 177.040 176.870 0.198 0.000 1.156 201 L CA 0.931 55.919 54.840 0.247 0.000 0.866 201 L CB 0.111 42.299 42.059 0.216 0.000 0.980 201 L HN 0.358 nan 8.230 nan 0.000 0.448 202 D N -4.196 116.292 120.400 0.147 0.000 2.490 202 D HA 0.106 4.746 4.640 -0.000 0.000 0.246 202 D C 0.169 176.327 176.300 -0.236 0.000 1.196 202 D CA -0.192 53.789 54.000 -0.031 0.000 0.812 202 D CB 0.491 41.243 40.800 -0.079 0.000 1.191 202 D HN 0.207 nan 8.370 nan 0.000 0.531 209 H N 1.064 120.197 119.070 0.104 0.000 2.260 209 H HA 0.049 4.605 4.556 -0.000 0.000 0.304 209 H C 2.317 177.848 175.328 0.340 0.000 1.059 209 H CA 2.255 58.423 56.048 0.200 0.000 1.305 209 H CB -0.696 nan 29.762 nan 0.000 1.388 209 H HN 0.166 nan 8.280 nan 0.000 0.496 210 S N -0.132 115.705 115.700 0.229 0.000 2.406 210 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 210 S C 1.434 176.228 174.600 0.322 0.000 1.020 210 S CA 1.070 59.435 58.200 0.275 0.000 0.965 210 S CB -0.829 62.509 63.200 0.230 0.000 0.798 210 S HN 0.866 nan 8.310 nan 0.000 0.488 211 H N 2.640 121.792 119.070 0.136 0.000 2.606 211 H HA 0.086 4.642 4.556 -0.000 0.000 0.283 211 H C 0.031 175.448 175.328 0.149 0.000 1.084 211 H CA 0.497 56.620 56.048 0.127 0.000 1.191 211 H CB -0.418 29.415 29.762 0.118 0.000 1.289 211 H HN 0.564 nan 8.280 nan 0.000 0.628 212 T N -1.169 113.525 114.554 0.233 0.000 2.772 212 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 212 T C -2.841 171.869 174.700 0.016 0.000 0.994 212 T CA -2.602 59.573 62.100 0.124 0.000 0.951 212 T CB 1.959 70.859 68.868 0.054 0.000 0.933 212 T HN -0.122 nan 8.240 nan 0.000 0.447 213 P HA -0.036 nan 4.420 nan 0.000 0.260 213 P C 0.667 177.902 177.300 -0.108 0.000 1.172 213 P CA -0.188 62.881 63.100 -0.052 0.000 0.760 213 P CB 0.187 31.845 31.700 -0.069 0.000 0.773 214 W N 5.836 127.071 121.300 -0.109 0.000 2.341 214 W HA -0.194 4.466 4.660 -0.000 0.000 0.283 214 W C 1.175 177.585 176.519 -0.182 0.000 1.215 214 W CA 0.938 58.166 57.345 -0.194 0.000 1.211 214 W CB -1.673 27.702 29.460 -0.142 0.000 1.131 214 W HN 0.241 nan 8.180 nan 0.000 0.552 215 I N 0.669 121.059 120.570 -0.299 0.000 2.113 215 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 215 I C 2.397 178.401 176.117 -0.189 0.000 1.070 215 I CA 1.816 63.013 61.300 -0.172 0.000 1.332 215 I CB -1.021 36.869 38.000 -0.185 0.000 1.044 215 I HN -0.156 nan 8.210 nan 0.000 0.402 216 V N 1.321 121.132 119.914 -0.172 0.000 2.794 216 V HA -0.259 3.861 4.120 -0.000 0.000 0.260 216 V C 2.175 178.059 176.094 -0.349 0.000 1.103 216 V CA 1.154 63.280 62.300 -0.290 0.000 1.125 216 V CB -0.625 30.902 31.823 -0.495 0.000 0.702 216 V HN 0.295 nan 8.190 nan 0.000 0.494 217 I N -0.281 120.118 120.570 -0.285 0.000 2.201 217 I HA -0.097 4.073 4.170 -0.000 0.000 0.233 217 I C 2.281 178.275 176.117 -0.205 0.000 1.067 217 I CA 1.564 62.670 61.300 -0.322 0.000 1.354 217 I CB -0.960 36.753 38.000 -0.479 0.000 1.108 217 I HN 0.185 nan 8.210 nan 0.000 0.411 218 I N 1.230 121.713 120.570 -0.146 0.000 2.623 218 I HA -0.307 3.863 4.170 -0.000 0.000 0.261 218 I C 2.587 178.655 176.117 -0.082 0.000 1.204 218 I CA 0.977 62.256 61.300 -0.034 0.000 1.444 218 I CB -0.497 37.536 38.000 0.056 0.000 1.094 218 I HN 0.214 nan 8.210 nan 0.000 0.451 219 A N 1.076 123.715 122.820 -0.302 0.000 1.825 219 A HA -0.235 4.085 4.320 -0.000 0.000 0.214 219 A C 2.315 179.759 177.584 -0.233 0.000 1.206 219 A CA 1.746 53.469 52.037 -0.524 0.000 0.609 219 A CB -0.525 17.708 19.000 -1.279 0.000 0.851 219 A HN 0.161 nan 8.150 nan 0.000 0.445 220 K N -1.201 119.124 120.400 -0.124 0.000 2.063 220 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 220 K C 1.466 178.109 176.600 0.072 0.000 1.048 220 K CA 1.531 57.830 56.287 0.019 0.000 0.928 220 K CB -0.543 32.018 32.500 0.102 0.000 0.713 220 K HN 0.547 nan 8.250 nan 0.000 0.442 221 Y N -0.557 119.718 120.300 -0.041 0.000 2.553 221 Y HA 0.031 4.581 4.550 -0.000 0.000 0.303 221 Y C 1.382 177.406 175.900 0.207 0.000 1.194 221 Y CA 0.223 58.347 58.100 0.040 0.000 1.305 221 Y CB 0.173 38.596 38.460 -0.062 0.000 1.045 221 Y HN 0.037 nan 8.280 nan 0.000 0.514 222 L N -1.412 119.902 121.223 0.151 0.000 2.624 222 L HA 0.364 4.704 4.340 -0.000 0.000 0.222 222 L C 2.189 178.810 176.870 -0.415 0.000 1.046 222 L CA 1.031 55.781 54.840 -0.151 0.000 0.872 222 L CB -0.667 41.178 42.059 -0.357 0.000 1.190 222 L HN -0.057 nan 8.230 nan 0.000 0.487 223 A N -0.636 122.064 122.820 -0.199 0.000 2.125 223 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 223 A C 2.162 179.759 177.584 0.023 0.000 1.156 223 A CA 1.866 53.859 52.037 -0.074 0.000 0.671 223 A CB -0.484 18.515 19.000 -0.002 0.000 0.794 223 A HN 0.641 nan 8.150 nan 0.000 0.459 224 Q N -1.401 118.417 119.800 0.030 0.000 2.061 224 Q HA -0.120 4.220 4.340 -0.000 0.000 0.195 224 Q C 2.007 178.110 176.000 0.171 0.000 0.967 224 Q CA 1.068 56.913 55.803 0.070 0.000 0.829 224 Q CB -0.347 28.392 28.738 0.002 0.000 0.900 224 Q HN 0.848 nan 8.270 nan 0.000 0.450 225 W N 0.851 122.166 121.300 0.025 0.000 2.342 225 W HA -0.226 4.434 4.660 -0.000 0.000 0.297 225 W C 0.917 177.536 176.519 0.166 0.000 1.213 225 W CA 1.143 58.537 57.345 0.080 0.000 1.251 225 W CB -0.609 28.878 29.460 0.045 0.000 1.136 225 W HN 0.330 nan 8.180 nan 0.000 0.526 226 Y N 0.305 120.819 120.300 0.356 0.000 2.574 226 Y HA -0.171 4.379 4.550 -0.000 0.000 0.294 226 Y C 2.883 178.832 175.900 0.081 0.000 1.142 226 Y CA 0.814 59.045 58.100 0.219 0.000 1.314 226 Y CB -0.265 38.286 38.460 0.153 0.000 0.991 226 Y HN -0.057 nan 8.280 nan 0.000 0.555 227 S N 0.086 115.910 115.700 0.207 0.000 2.475 227 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 227 S C 1.117 175.730 174.600 0.021 0.000 1.042 227 S CA 0.068 58.325 58.200 0.096 0.000 0.935 227 S CB 0.041 63.288 63.200 0.079 0.000 0.801 227 S HN 0.409 nan 8.310 nan 0.000 0.509 228 E N 0.883 121.071 120.200 -0.019 0.000 2.365 228 E HA 0.116 4.466 4.350 -0.000 0.000 0.188 228 E C -0.376 176.115 176.600 -0.181 0.000 1.102 228 E CA 0.210 56.552 56.400 -0.096 0.000 0.927 228 E CB 0.195 29.828 29.700 -0.112 0.000 1.073 228 E HN 0.351 nan 8.360 nan 0.000 0.467 229 T N 0.098 114.565 114.554 -0.144 0.000 4.441 229 T HA -0.001 4.349 4.350 -0.000 0.000 0.323 229 T C -0.366 174.291 174.700 -0.070 0.000 0.885 229 T CA -0.679 61.326 62.100 -0.159 0.000 0.878 229 T CB -0.253 68.431 68.868 -0.306 0.000 1.042 229 T HN 0.167 nan 8.240 nan 0.000 0.485 230 N N 2.157 120.839 118.700 -0.030 0.000 2.608 230 N HA -0.120 4.620 4.740 -0.000 0.000 0.273 230 N C 0.850 176.358 175.510 -0.004 0.000 1.133 230 N CA 1.478 54.522 53.050 -0.009 0.000 0.726 230 N CB -1.255 37.221 38.487 -0.019 0.000 0.890 230 N HN 0.957 nan 8.380 nan 0.000 0.548 231 G N 1.155 109.972 108.800 0.028 0.000 2.395 231 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.300 231 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.300 231 G C 0.132 174.961 174.900 -0.119 0.000 0.998 231 G CA 0.839 45.928 45.100 -0.019 0.000 1.046 231 G HN 0.899 nan 8.290 nan 0.000 0.513 232 R N -0.240 120.246 120.500 -0.023 0.000 2.604 232 R HA 0.737 5.077 4.340 -0.000 0.000 0.287 232 R C 0.834 177.202 176.300 0.114 0.000 0.970 232 R CA -1.090 55.012 56.100 0.004 0.000 0.946 232 R CB 0.793 31.143 30.300 0.083 0.000 1.127 232 R HN 0.543 nan 8.270 nan 0.000 0.473 233 I N 0.557 121.108 120.570 -0.033 0.000 2.525 233 I HA 0.589 4.759 4.170 -0.000 0.000 0.301 233 I C -2.483 173.652 176.117 0.030 0.000 0.992 233 I CA -3.183 58.122 61.300 0.009 0.000 1.162 233 I CB 1.946 39.848 38.000 -0.163 0.000 1.332 233 I HN 0.452 nan 8.210 nan 0.000 0.458 234 P HA 0.119 nan 4.420 nan 0.000 0.264 234 P C -0.495 176.723 177.300 -0.136 0.000 1.193 234 P CA 0.035 62.886 63.100 -0.414 0.000 0.763 234 P CB 0.745 31.912 31.700 -0.889 0.000 0.810 235 K N 0.767 121.151 120.400 -0.026 0.000 2.645 235 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 235 K C 0.069 176.671 176.600 0.004 0.000 1.653 235 K CA 0.199 56.484 56.287 -0.003 0.000 1.138 235 K CB 0.607 33.109 32.500 0.003 0.000 1.515 235 K HN 0.321 nan 8.250 nan 0.000 0.592 236 T N -0.152 114.421 114.554 0.032 0.000 2.824 236 T HA 0.222 4.572 4.350 -0.000 0.000 0.277 236 T C 0.778 175.566 174.700 0.146 0.000 0.975 236 T CA -0.480 61.624 62.100 0.006 0.000 0.966 236 T CB 0.542 69.439 68.868 0.048 0.000 1.054 236 T HN 0.063 nan 8.240 nan 0.000 0.533 237 Y N 0.144 120.466 120.300 0.037 0.000 2.176 237 Y HA -0.084 4.466 4.550 -0.000 0.000 0.291 237 Y C 2.693 178.624 175.900 0.051 0.000 1.122 237 Y CA 0.670 58.791 58.100 0.034 0.000 1.128 237 Y CB -0.083 38.395 38.460 0.030 0.000 1.005 237 Y HN 0.478 nan 8.280 nan 0.000 0.509 238 K N 1.344 121.889 120.400 0.242 0.000 2.113 238 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 238 K C 1.664 178.380 176.600 0.193 0.000 1.047 238 K CA 2.068 58.461 56.287 0.176 0.000 0.928 238 K CB -0.287 32.298 32.500 0.142 0.000 0.716 238 K HN 0.339 nan 8.250 nan 0.000 0.446 239 E N 0.089 120.408 120.200 0.198 0.000 2.047 239 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 239 E C 1.677 178.343 176.600 0.110 0.000 0.987 239 E CA 1.312 57.848 56.400 0.227 0.000 0.799 239 E CB 0.056 29.873 29.700 0.194 0.000 0.752 239 E HN 0.324 nan 8.360 nan 0.000 0.449 240 K N 0.308 120.766 120.400 0.096 0.000 2.002 240 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 240 K C 2.230 178.897 176.600 0.113 0.000 1.048 240 K CA 1.486 57.815 56.287 0.071 0.000 0.930 240 K CB -0.165 32.398 32.500 0.104 0.000 0.714 240 K HN 0.025 nan 8.250 nan 0.000 0.438 241 E N 1.756 122.020 120.200 0.106 0.000 2.049 241 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 241 E C 1.454 178.126 176.600 0.119 0.000 1.007 241 E CA 2.095 58.544 56.400 0.082 0.000 0.809 241 E CB -0.233 29.512 29.700 0.074 0.000 0.749 241 E HN 0.155 nan 8.360 nan 0.000 0.450 242 D N -0.594 119.915 120.400 0.181 0.000 2.133 242 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 242 D C 1.596 178.078 176.300 0.303 0.000 0.997 242 D CA 1.085 55.236 54.000 0.252 0.000 0.840 242 D CB -0.509 40.510 40.800 0.365 0.000 0.947 242 D HN 0.257 nan 8.370 nan 0.000 0.452 243 F N 1.599 121.585 119.950 0.060 0.000 2.216 243 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 243 F C 2.161 177.974 175.800 0.022 0.000 1.085 243 F CA 1.047 59.034 58.000 -0.021 0.000 1.326 243 F CB -0.098 38.709 39.000 -0.322 0.000 1.027 243 F HN -0.173 nan 8.300 nan 0.000 0.497 244 R N 0.246 120.728 120.500 -0.030 0.000 2.094 244 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 244 R C 1.790 178.025 176.300 -0.108 0.000 1.137 244 R CA 2.203 58.229 56.100 -0.123 0.000 0.943 244 R CB -0.727 29.545 30.300 -0.047 0.000 0.850 244 R HN 0.278 nan 8.270 nan 0.000 0.433 245 D N 0.399 120.793 120.400 -0.010 0.000 2.178 245 D HA -0.145 4.495 4.640 -0.000 0.000 0.202 245 D C 1.490 177.818 176.300 0.045 0.000 0.974 245 D CA 0.547 54.560 54.000 0.022 0.000 0.841 245 D CB -0.090 40.745 40.800 0.059 0.000 0.953 245 D HN 0.039 nan 8.370 nan 0.000 0.478 246 L N 0.257 121.519 121.223 0.065 0.000 2.633 246 L HA 0.028 4.368 4.340 -0.000 0.000 0.235 246 L C 1.193 178.162 176.870 0.165 0.000 1.163 246 L CA 1.194 56.114 54.840 0.133 0.000 0.859 246 L CB -0.136 42.086 42.059 0.273 0.000 0.973 246 L HN 0.119 nan 8.230 nan 0.000 0.451 247 I N -2.510 118.068 120.570 0.014 0.000 3.445 247 I HA 0.008 4.178 4.170 -0.000 0.000 0.288 247 I C 2.275 178.419 176.117 0.045 0.000 1.198 247 I CA -0.050 61.244 61.300 -0.010 0.000 1.417 247 I CB -0.265 37.536 38.000 -0.332 0.000 1.205 247 I HN 0.017 nan 8.210 nan 0.000 0.448 248 R N 1.496 122.005 120.500 0.015 0.000 2.091 248 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 248 R C 0.829 177.150 176.300 0.035 0.000 1.136 248 R CA 1.130 57.240 56.100 0.016 0.000 0.959 248 R CB -0.375 29.924 30.300 -0.002 0.000 0.856 248 R HN 0.467 nan 8.270 nan 0.000 0.437 249 Q N -0.009 119.840 119.800 0.083 0.000 3.151 249 Q HA 0.067 4.407 4.340 -0.000 0.000 0.277 249 Q C 0.554 176.652 176.000 0.164 0.000 1.343 249 Q CA 0.195 56.051 55.803 0.089 0.000 0.925 249 Q CB 0.498 29.288 28.738 0.087 0.000 1.771 249 Q HN 0.480 nan 8.270 nan 0.000 0.514 250 G N 0.312 109.171 108.800 0.098 0.000 3.842 250 G HA2 0.057 4.017 3.960 -0.000 0.000 0.153 250 G HA3 0.057 4.017 3.960 -0.000 0.000 0.153 250 G C 0.192 174.939 174.900 -0.254 0.000 1.165 250 G CA -0.515 44.665 45.100 0.135 0.000 0.819 250 G HN 0.344 nan 8.290 nan 0.000 0.717 251 I N 2.657 122.990 120.570 -0.395 0.000 2.581 251 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 251 I C 0.878 176.815 176.117 -0.299 0.000 1.129 251 I CA -0.432 60.525 61.300 -0.571 0.000 1.397 251 I CB 1.306 39.097 38.000 -0.348 0.000 1.399 251 I HN -0.048 nan 8.210 nan 0.000 0.537 252 L N 7.580 128.644 121.223 -0.265 0.000 3.163 252 L HA 0.111 4.451 4.340 -0.000 0.000 0.261 252 L C 0.550 177.358 176.870 -0.103 0.000 1.313 252 L CA 0.890 55.645 54.840 -0.142 0.000 1.111 252 L CB -2.156 39.838 42.059 -0.109 0.000 1.511 252 L HN 0.813 nan 8.230 nan 0.000 0.419 262 E N 3.161 123.333 120.200 -0.047 0.000 2.761 262 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 262 E C 0.321 176.978 176.600 0.095 0.000 1.097 262 E CA -0.288 56.107 56.400 -0.008 0.000 0.773 262 E CB 1.374 30.999 29.700 -0.126 0.000 1.453 262 E HN 0.734 nan 8.360 nan 0.000 0.388 263 E N 2.599 122.850 120.200 0.086 0.000 2.020 263 E HA -0.362 3.988 4.350 -0.000 0.000 0.229 263 E C 1.410 178.085 176.600 0.124 0.000 1.022 263 E CA 2.758 59.210 56.400 0.086 0.000 0.903 263 E CB -0.063 29.680 29.700 0.071 0.000 0.812 263 E HN 0.672 nan 8.360 nan 0.000 0.529 264 N N -0.776 118.010 118.700 0.143 0.000 2.238 264 N HA -0.319 4.421 4.740 -0.000 0.000 0.200 264 N C 1.800 177.343 175.510 0.056 0.000 0.968 264 N CA 2.118 55.244 53.050 0.127 0.000 0.922 264 N CB -0.777 37.800 38.487 0.150 0.000 1.059 264 N HN 0.161 nan 8.380 nan 0.000 0.551 265 F N 0.686 120.611 119.950 -0.042 0.000 2.102 265 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 265 F C 2.641 178.361 175.800 -0.135 0.000 1.105 265 F CA 1.436 59.366 58.000 -0.117 0.000 1.239 265 F CB -0.516 38.403 39.000 -0.135 0.000 0.991 265 F HN 0.085 nan 8.300 nan 0.000 0.474 266 E N 0.191 120.446 120.200 0.092 0.000 2.515 266 E HA -0.156 4.194 4.350 -0.000 0.000 0.201 266 E C 1.793 178.345 176.600 -0.080 0.000 1.071 266 E CA 0.596 56.991 56.400 -0.008 0.000 0.880 266 E CB -0.232 29.467 29.700 -0.001 0.000 0.828 266 E HN 0.524 nan 8.360 nan 0.000 0.540 267 E N -0.959 119.182 120.200 -0.098 0.000 2.079 267 E HA 0.041 4.391 4.350 -0.000 0.000 0.191 267 E C 1.784 178.147 176.600 -0.394 0.000 0.961 267 E CA 0.616 56.892 56.400 -0.207 0.000 0.823 267 E CB -0.131 29.511 29.700 -0.098 0.000 0.789 267 E HN 0.264 nan 8.360 nan 0.000 0.459 268 A N 1.028 123.650 122.820 -0.330 0.000 2.125 268 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 268 A C 1.930 179.317 177.584 -0.329 0.000 1.156 268 A CA 0.775 52.575 52.037 -0.396 0.000 0.671 268 A CB -0.622 18.243 19.000 -0.224 0.000 0.794 268 A HN 0.331 nan 8.150 nan 0.000 0.459 269 I N -0.458 119.954 120.570 -0.263 0.000 2.928 269 I HA -0.181 3.989 4.170 -0.000 0.000 0.266 269 I C 2.285 178.287 176.117 -0.192 0.000 1.234 269 I CA 1.486 62.662 61.300 -0.208 0.000 1.483 269 I CB -0.044 37.867 38.000 -0.148 0.000 1.097 269 I HN 0.510 nan 8.210 nan 0.000 0.455 270 K N -0.398 119.856 120.400 -0.243 0.000 2.348 270 K HA 0.132 4.452 4.320 -0.000 0.000 0.194 270 K C 1.317 177.770 176.600 -0.244 0.000 1.052 270 K CA 0.158 56.316 56.287 -0.215 0.000 1.004 270 K CB -0.054 32.318 32.500 -0.213 0.000 0.873 270 K HN 0.104 nan 8.250 nan 0.000 0.523 271 N N 1.550 120.029 118.700 -0.369 0.000 2.396 271 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 271 N C 1.726 177.155 175.510 -0.135 0.000 1.028 271 N CA 0.792 53.637 53.050 -0.342 0.000 0.893 271 N CB -0.005 38.082 38.487 -0.667 0.000 0.967 271 N HN -0.011 nan 8.380 nan 0.000 0.440 272 V N 1.897 121.744 119.914 -0.112 0.000 2.660 272 V HA -0.224 3.896 4.120 -0.000 0.000 0.257 272 V C 1.860 177.961 176.094 0.012 0.000 1.088 272 V CA 1.432 63.732 62.300 0.000 0.000 1.106 272 V CB -0.730 31.103 31.823 0.017 0.000 0.686 272 V HN 0.359 nan 8.190 nan 0.000 0.481 273 N N -1.013 117.668 118.700 -0.031 0.000 2.521 273 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 273 N C 1.150 176.666 175.510 0.009 0.000 1.146 273 N CA 1.314 54.353 53.050 -0.019 0.000 0.893 273 N CB 0.246 38.699 38.487 -0.057 0.000 0.975 273 N HN 0.483 nan 8.380 nan 0.000 0.451 274 T N -2.048 112.519 114.554 0.022 0.000 3.449 274 T HA 0.278 4.628 4.350 -0.000 0.000 0.268 274 T C 1.477 176.229 174.700 0.086 0.000 0.996 274 T CA 0.364 62.496 62.100 0.053 0.000 1.125 274 T CB -0.696 68.202 68.868 0.051 0.000 1.172 274 T HN 0.142 nan 8.240 nan 0.000 0.430 275 A N 1.585 124.471 122.820 0.110 0.000 2.139 275 A HA -0.017 4.303 4.320 -0.000 0.000 0.221 275 A C 2.110 179.769 177.584 0.126 0.000 1.159 275 A CA 1.238 53.368 52.037 0.156 0.000 0.662 275 A CB -1.045 18.089 19.000 0.224 0.000 0.796 275 A HN 0.491 nan 8.150 nan 0.000 0.463 276 L N -1.107 120.171 121.223 0.091 0.000 1.988 276 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 276 L C 1.365 178.282 176.870 0.078 0.000 1.071 276 L CA 1.273 56.153 54.840 0.065 0.000 0.744 276 L CB -0.337 41.733 42.059 0.019 0.000 0.893 276 L HN 0.567 nan 8.230 nan 0.000 0.433 277 N N -0.773 117.972 118.700 0.075 0.000 2.558 277 N HA 0.088 4.828 4.740 -0.000 0.000 0.242 277 N C 0.444 176.007 175.510 0.088 0.000 0.979 277 N CA 0.119 53.215 53.050 0.076 0.000 0.931 277 N CB 0.887 39.410 38.487 0.061 0.000 1.122 277 N HN 0.100 nan 8.380 nan 0.000 0.508 278 T N -1.422 113.194 114.554 0.103 0.000 2.989 278 T HA 0.092 4.442 4.350 -0.000 0.000 0.250 278 T C 0.697 175.456 174.700 0.097 0.000 0.981 278 T CA 0.215 62.381 62.100 0.109 0.000 0.980 278 T CB 0.038 68.988 68.868 0.137 0.000 1.133 278 T HN 0.160 nan 8.240 nan 0.000 0.489 279 T N 3.135 117.748 114.554 0.098 0.000 2.814 279 T HA 0.595 4.945 4.350 -0.000 0.000 0.297 279 T C -0.670 174.070 174.700 0.066 0.000 0.956 279 T CA 0.053 62.203 62.100 0.084 0.000 1.123 279 T CB 0.785 69.709 68.868 0.093 0.000 0.902 279 T HN 0.545 nan 8.240 nan 0.000 0.528 280 Q N 2.740 122.573 119.800 0.054 0.000 2.844 280 Q HA 0.210 4.550 4.340 -0.000 0.000 0.230 280 Q C -1.920 174.101 176.000 0.036 0.000 1.005 280 Q CA -0.316 55.515 55.803 0.047 0.000 1.020 280 Q CB 0.525 29.290 28.738 0.046 0.000 1.920 280 Q HN 0.683 nan 8.270 nan 0.000 0.488 281 I N 5.978 126.573 120.570 0.042 0.000 2.379 281 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 281 I C -1.649 174.472 176.117 0.006 0.000 1.063 281 I CA -1.640 59.678 61.300 0.031 0.000 1.351 281 I CB 0.748 38.797 38.000 0.081 0.000 1.410 281 I HN 0.521 nan 8.210 nan 0.000 0.505 282 P HA -0.025 nan 4.420 nan 0.000 0.267 282 P C 0.627 177.910 177.300 -0.028 0.000 1.200 282 P CA 0.011 63.097 63.100 -0.023 0.000 0.772 282 P CB 1.149 32.824 31.700 -0.041 0.000 0.855 283 S N 2.790 118.489 115.700 -0.001 0.000 2.359 283 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 283 S C 2.077 176.669 174.600 -0.013 0.000 1.039 283 S CA 2.362 60.565 58.200 0.005 0.000 1.042 283 S CB -1.123 62.089 63.200 0.021 0.000 0.915 283 S HN 0.702 nan 8.310 nan 0.000 0.439 284 S N 1.304 116.995 115.700 -0.015 0.000 2.392 284 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 284 S C 1.853 176.405 174.600 -0.080 0.000 1.041 284 S CA 1.685 59.871 58.200 -0.022 0.000 1.026 284 S CB -0.959 62.237 63.200 -0.008 0.000 0.845 284 S HN 0.659 nan 8.310 nan 0.000 0.465 285 I N 1.366 121.838 120.570 -0.163 0.000 2.406 285 I HA -0.066 4.104 4.170 -0.000 0.000 0.249 285 I C 2.838 178.697 176.117 -0.430 0.000 1.122 285 I CA 1.037 62.112 61.300 -0.374 0.000 1.431 285 I CB -0.385 37.315 38.000 -0.500 0.000 1.087 285 I HN 0.239 nan 8.210 nan 0.000 0.424 286 E N 1.162 121.256 120.200 -0.177 0.000 2.070 286 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 286 E C 1.706 178.350 176.600 0.073 0.000 1.004 286 E CA 1.406 57.817 56.400 0.019 0.000 0.805 286 E CB -0.435 29.303 29.700 0.064 0.000 0.744 286 E HN 0.502 nan 8.360 nan 0.000 0.451 287 D N 0.472 120.895 120.400 0.039 0.000 2.123 287 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 287 D C 2.228 178.618 176.300 0.150 0.000 0.992 287 D CA 0.716 54.769 54.000 0.088 0.000 0.833 287 D CB -0.239 40.604 40.800 0.072 0.000 0.954 287 D HN 0.223 nan 8.370 nan 0.000 0.455 288 I N 0.420 121.057 120.570 0.112 0.000 2.179 288 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 288 I C 2.456 178.823 176.117 0.416 0.000 1.088 288 I CA 0.973 62.437 61.300 0.274 0.000 1.357 288 I CB -0.338 37.710 38.000 0.080 0.000 1.051 288 I HN -0.050 nan 8.210 nan 0.000 0.409 289 F N 0.988 121.043 119.950 0.174 0.000 2.091 289 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 289 F C 2.184 178.044 175.800 0.101 0.000 1.103 289 F CA 0.836 58.910 58.000 0.124 0.000 1.228 289 F CB -0.371 38.669 39.000 0.067 0.000 0.984 289 F HN 0.211 nan 8.300 nan 0.000 0.477 290 N N -0.018 118.857 118.700 0.291 0.000 2.461 290 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 290 N C 0.183 175.761 175.510 0.115 0.000 1.134 290 N CA 0.391 53.538 53.050 0.161 0.000 0.878 290 N CB -0.526 38.036 38.487 0.124 0.000 0.972 290 N HN 0.276 nan 8.380 nan 0.000 0.456 291 D N 1.102 121.592 120.400 0.151 0.000 2.382 291 D HA -0.082 4.558 4.640 -0.000 0.000 0.240 291 D C 0.753 177.014 176.300 -0.064 0.000 1.146 291 D CA 0.022 54.058 54.000 0.060 0.000 0.897 291 D CB 1.303 42.182 40.800 0.131 0.000 1.197 291 D HN 0.060 nan 8.370 nan 0.000 0.432 292 D N 2.482 122.804 120.400 -0.130 0.000 2.144 292 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 292 D C 1.529 177.662 176.300 -0.278 0.000 0.978 292 D CA 0.760 54.666 54.000 -0.156 0.000 0.833 292 D CB 0.218 40.945 40.800 -0.121 0.000 0.961 292 D HN 0.376 nan 8.370 nan 0.000 0.470 293 R N -0.380 119.789 120.500 -0.552 0.000 2.328 293 R HA -0.047 4.293 4.340 -0.000 0.000 0.207 293 R C 2.334 178.254 176.300 -0.633 0.000 1.056 293 R CA 0.360 55.981 56.100 -0.799 0.000 1.016 293 R CB -0.246 29.164 30.300 -1.483 0.000 0.872 293 R HN 0.265 nan 8.270 nan 0.000 0.471 294 C N -0.391 118.686 119.300 -0.373 0.000 2.541 294 C HA 0.171 4.631 4.460 -0.000 0.000 0.284 294 C C 2.259 177.258 174.990 0.015 0.000 1.341 294 C CA 0.032 59.085 59.018 0.058 0.000 1.732 294 C CB -0.450 27.464 27.740 0.291 0.000 2.126 294 C HN 0.410 nan 8.230 nan 0.000 0.505 295 I N 1.488 122.040 120.570 -0.030 0.000 2.233 295 I HA -0.058 4.112 4.170 -0.000 0.000 0.243 295 I C 0.325 176.415 176.117 -0.044 0.000 1.093 295 I CA 1.093 62.375 61.300 -0.030 0.000 1.380 295 I CB -0.402 37.580 38.000 -0.029 0.000 1.067 295 I HN 0.382 nan 8.210 nan 0.000 0.413 296 N N 2.250 120.908 118.700 -0.070 0.000 2.527 296 N HA 0.411 5.151 4.740 -0.000 0.000 0.236 296 N C -0.717 174.754 175.510 -0.065 0.000 0.999 296 N CA -0.026 52.987 53.050 -0.061 0.000 0.935 296 N CB 1.688 40.137 38.487 -0.064 0.000 1.132 296 N HN 0.124 nan 8.380 nan 0.000 0.511 297 I N 1.110 121.659 120.570 -0.035 0.000 2.428 297 I HA 0.326 4.496 4.170 -0.000 0.000 0.296 297 I C 0.983 177.094 176.117 -0.009 0.000 0.985 297 I CA -0.260 61.032 61.300 -0.013 0.000 1.260 297 I CB 1.659 39.663 38.000 0.008 0.000 1.389 297 I HN 0.432 nan 8.210 nan 0.000 0.484 298 T N 0.826 115.380 114.554 0.001 0.000 2.681 298 T HA 0.357 4.707 4.350 -0.000 0.000 0.296 298 T C 0.396 175.106 174.700 0.015 0.000 1.157 298 T CA -0.901 61.201 62.100 0.003 0.000 1.025 298 T CB 1.418 70.283 68.868 -0.004 0.000 1.441 298 T HN 0.506 nan 8.240 nan 0.000 0.504 299 K N 0.155 120.562 120.400 0.013 0.000 2.362 299 K HA -0.042 4.278 4.320 -0.000 0.000 0.200 299 K C 2.025 178.639 176.600 0.024 0.000 1.046 299 K CA 0.917 57.215 56.287 0.018 0.000 0.952 299 K CB -0.026 32.482 32.500 0.013 0.000 0.753 299 K HN 0.419 nan 8.250 nan 0.000 0.466 300 Q N 0.265 120.078 119.800 0.021 0.000 2.212 300 Q HA 0.002 4.342 4.340 -0.000 0.000 0.199 300 Q C 0.550 176.578 176.000 0.046 0.000 0.950 300 Q CA 0.659 56.477 55.803 0.026 0.000 0.863 300 Q CB -0.699 28.047 28.738 0.014 0.000 0.944 300 Q HN 0.162 nan 8.270 nan 0.000 0.465 301 T N 5.063 119.647 114.554 0.050 0.000 2.891 301 T HA 0.053 4.402 4.350 -0.000 0.000 0.296 301 T C -2.152 172.633 174.700 0.143 0.000 1.025 301 T CA -0.437 61.721 62.100 0.096 0.000 1.149 301 T CB 0.257 69.181 68.868 0.093 0.000 1.007 301 T HN 0.175 nan 8.240 nan 0.000 0.528 302 P HA 0.210 nan 4.420 nan 0.000 0.282 302 P C 0.989 178.417 177.300 0.213 0.000 1.249 302 P CA -0.468 62.753 63.100 0.202 0.000 0.806 302 P CB 1.339 33.174 31.700 0.225 0.000 0.984 303 S N 2.927 118.705 115.700 0.130 0.000 2.426 303 S HA -0.295 4.175 4.470 -0.000 0.000 0.253 303 S C 1.644 176.289 174.600 0.074 0.000 1.104 303 S CA 1.969 60.220 58.200 0.086 0.000 1.158 303 S CB -1.296 61.938 63.200 0.057 0.000 1.043 303 S HN 0.527 nan 8.310 nan 0.000 0.443 304 F N 0.237 120.149 119.950 -0.064 0.000 2.091 304 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 304 F C 1.787 177.456 175.800 -0.218 0.000 1.103 304 F CA 2.187 60.063 58.000 -0.208 0.000 1.228 304 F CB -0.648 38.119 39.000 -0.388 0.000 0.984 304 F HN 0.373 nan 8.300 nan 0.000 0.477 305 W N 0.348 121.715 121.300 0.111 0.000 2.418 305 W HA -0.035 4.625 4.660 -0.000 0.000 0.292 305 W C 2.390 178.865 176.519 -0.073 0.000 1.213 305 W CA 0.906 58.261 57.345 0.016 0.000 1.283 305 W CB -0.418 29.129 29.460 0.146 0.000 1.119 305 W HN -0.032 nan 8.180 nan 0.000 0.542 306 I N 0.170 120.843 120.570 0.172 0.000 2.264 306 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 306 I C 2.120 178.236 176.117 -0.002 0.000 1.111 306 I CA 1.302 62.651 61.300 0.082 0.000 1.382 306 I CB -0.612 37.425 38.000 0.062 0.000 1.060 306 I HN 0.019 nan 8.210 nan 0.000 0.418 307 L N 0.337 121.500 121.223 -0.100 0.000 2.056 307 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 307 L C 2.839 179.605 176.870 -0.174 0.000 1.078 307 L CA 1.186 55.930 54.840 -0.160 0.000 0.749 307 L CB -0.665 41.242 42.059 -0.253 0.000 0.901 307 L HN 0.212 nan 8.230 nan 0.000 0.433 308 A N 0.093 122.742 122.820 -0.284 0.000 1.972 308 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 308 A C 2.325 179.979 177.584 0.117 0.000 1.169 308 A CA 1.777 53.730 52.037 -0.141 0.000 0.635 308 A CB -0.431 18.430 19.000 -0.231 0.000 0.810 308 A HN 0.287 nan 8.150 nan 0.000 0.446 309 R N 0.172 120.718 120.500 0.076 0.000 2.073 309 R HA 0.070 4.410 4.340 -0.000 0.000 0.229 309 R C 2.147 178.432 176.300 -0.026 0.000 1.120 309 R CA 1.788 57.913 56.100 0.040 0.000 0.967 309 R CB -0.939 29.387 30.300 0.044 0.000 0.862 309 R HN 0.343 nan 8.270 nan 0.000 0.436 310 A N 0.511 123.336 122.820 0.007 0.000 1.978 310 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 310 A C 1.939 179.569 177.584 0.077 0.000 1.170 310 A CA 1.389 53.458 52.037 0.054 0.000 0.636 310 A CB -0.584 18.459 19.000 0.073 0.000 0.810 310 A HN 0.310 nan 8.150 nan 0.000 0.448 311 L N -0.287 120.974 121.223 0.063 0.000 1.988 311 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 311 L C 2.370 179.240 176.870 0.001 0.000 1.071 311 L CA 2.320 57.246 54.840 0.143 0.000 0.744 311 L CB -0.874 41.348 42.059 0.271 0.000 0.893 311 L HN 0.465 nan 8.230 nan 0.000 0.433 312 K N -0.699 119.477 120.400 -0.374 0.000 2.015 312 K HA -0.241 4.079 4.320 -0.000 0.000 0.216 312 K C 1.987 178.311 176.600 -0.460 0.000 1.052 312 K CA 1.744 57.446 56.287 -0.975 0.000 0.937 312 K CB -0.019 31.977 32.500 -0.838 0.000 0.719 312 K HN 0.227 nan 8.250 nan 0.000 0.446 313 E N 0.318 120.313 120.200 -0.341 0.000 2.048 313 E HA -0.243 4.107 4.350 -0.000 0.000 0.202 313 E C 1.817 178.185 176.600 -0.387 0.000 1.021 313 E CA 1.454 57.584 56.400 -0.450 0.000 0.825 313 E CB -0.691 28.590 29.700 -0.699 0.000 0.756 313 E HN 0.365 nan 8.360 nan 0.000 0.454 314 F N 1.899 121.684 119.950 -0.275 0.000 2.027 314 F HA -0.309 4.218 4.527 -0.000 0.000 0.297 314 F C 2.413 178.194 175.800 -0.032 0.000 1.129 314 F CA 1.838 59.882 58.000 0.073 0.000 1.195 314 F CB -0.619 38.469 39.000 0.146 0.000 0.960 314 F HN -0.161 nan 8.300 nan 0.000 0.485 315 V N 0.727 120.671 119.914 0.050 0.000 2.363 315 V HA -0.428 3.692 4.120 -0.000 0.000 0.254 315 V C 2.623 178.602 176.094 -0.191 0.000 1.074 315 V CA 2.058 64.321 62.300 -0.061 0.000 1.069 315 V CB -1.916 29.895 31.823 -0.020 0.000 0.659 315 V HN 0.616 nan 8.190 nan 0.000 0.455 316 A N -0.809 121.882 122.820 -0.216 0.000 1.855 316 A HA -0.098 4.222 4.320 -0.000 0.000 0.213 316 A C 2.104 179.578 177.584 -0.184 0.000 1.195 316 A CA 1.745 53.669 52.037 -0.187 0.000 0.610 316 A CB -0.241 18.645 19.000 -0.190 0.000 0.837 316 A HN 0.538 nan 8.150 nan 0.000 0.444 317 K N -0.071 120.210 120.400 -0.199 0.000 2.780 317 K HA -0.044 4.276 4.320 -0.000 0.000 0.169 317 K C 1.543 178.007 176.600 -0.227 0.000 1.121 317 K CA 0.630 56.828 56.287 -0.149 0.000 1.272 317 K CB -0.276 32.200 32.500 -0.040 0.000 1.772 317 K HN 0.333 nan 8.250 nan 0.000 0.475 318 E N 0.278 120.343 120.200 -0.226 0.000 2.510 318 E HA -0.097 4.253 4.350 -0.000 0.000 0.202 318 E C 1.213 177.419 176.600 -0.656 0.000 1.072 318 E CA 1.045 57.266 56.400 -0.297 0.000 0.883 318 E CB -0.199 29.411 29.700 -0.151 0.000 0.818 318 E HN 0.650 nan 8.360 nan 0.000 0.548 319 G N 0.226 108.425 108.800 -1.002 0.000 2.838 319 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.210 319 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.210 319 G C 0.684 175.316 174.900 -0.447 0.000 1.153 319 G CA -0.171 44.112 45.100 -1.362 0.000 0.778 319 G HN 0.089 nan 8.290 nan 0.000 0.539 320 Q N -1.655 117.966 119.800 -0.299 0.000 2.460 320 Q HA -0.207 4.133 4.340 -0.000 0.000 0.248 320 Q C 1.424 177.374 176.000 -0.084 0.000 0.847 320 Q CA 1.315 57.035 55.803 -0.139 0.000 1.214 320 Q CB -2.039 26.651 28.738 -0.080 0.000 1.523 320 Q HN 1.458 nan 8.270 nan 0.000 0.602 321 G N -0.362 108.381 108.800 -0.094 0.000 2.136 321 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.242 321 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.242 321 G C -0.081 174.832 174.900 0.022 0.000 0.989 321 G CA 0.444 45.524 45.100 -0.032 0.000 0.682 321 G HN 0.438 nan 8.290 nan 0.000 0.522 322 N N -1.178 117.541 118.700 0.032 0.000 2.277 322 N HA 0.632 5.372 4.740 -0.000 0.000 0.286 322 N C 0.217 175.851 175.510 0.206 0.000 1.140 322 N CA -1.033 52.075 53.050 0.097 0.000 0.799 322 N CB 1.606 40.136 38.487 0.073 0.000 1.596 322 N HN 0.139 nan 8.380 nan 0.000 0.473 323 L N 1.669 123.009 121.223 0.195 0.000 2.479 323 L HA 0.227 4.567 4.340 -0.000 0.000 0.270 323 L C -1.890 175.106 176.870 0.210 0.000 1.236 323 L CA -1.127 53.839 54.840 0.209 0.000 0.823 323 L CB -0.128 41.957 42.059 0.044 0.000 1.098 323 L HN 0.314 nan 8.230 nan 0.000 0.500 324 P HA -0.029 nan 4.420 nan 0.000 0.269 324 P C -0.805 176.431 177.300 -0.106 0.000 1.211 324 P CA -0.262 62.698 63.100 -0.232 0.000 0.781 324 P CB 0.351 31.712 31.700 -0.566 0.000 0.877 325 V N 3.206 123.043 119.914 -0.129 0.000 2.572 325 V HA 0.054 4.174 4.120 -0.000 0.000 0.291 325 V C 2.076 178.116 176.094 -0.090 0.000 1.039 325 V CA 0.236 62.456 62.300 -0.134 0.000 1.055 325 V CB 0.360 32.006 31.823 -0.295 0.000 0.969 325 V HN 0.566 nan 8.190 nan 0.000 0.482 326 R N 3.041 123.527 120.500 -0.023 0.000 2.080 326 R HA -0.054 4.286 4.340 -0.000 0.000 0.236 326 R C 1.593 177.905 176.300 0.018 0.000 1.137 326 R CA 1.906 58.006 56.100 -0.000 0.000 0.943 326 R CB -0.325 30.006 30.300 0.052 0.000 0.846 326 R HN 1.141 nan 8.270 nan 0.000 0.431 327 G N -1.004 107.847 108.800 0.084 0.000 2.184 327 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.206 327 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.206 327 G C 0.065 175.006 174.900 0.069 0.000 0.995 327 G CA 0.333 45.493 45.100 0.100 0.000 0.651 327 G HN 0.635 nan 8.290 nan 0.000 0.511 328 T N -0.753 113.814 114.554 0.021 0.000 2.893 328 T HA 0.772 5.122 4.350 -0.000 0.000 0.291 328 T C -0.160 174.438 174.700 -0.170 0.000 1.028 328 T CA -0.351 61.711 62.100 -0.065 0.000 0.995 328 T CB 2.559 71.420 68.868 -0.011 0.000 1.051 328 T HN 1.263 nan 8.240 nan 0.000 0.470 329 I N -0.076 120.336 120.570 -0.262 0.000 2.689 329 I HA 0.699 4.869 4.170 -0.000 0.000 0.299 329 I C -2.478 173.553 176.117 -0.144 0.000 1.059 329 I CA -2.868 58.237 61.300 -0.324 0.000 1.055 329 I CB 2.083 39.704 38.000 -0.631 0.000 1.243 329 I HN 0.457 nan 8.210 nan 0.000 0.425 330 P HA 0.111 nan 4.420 nan 0.000 0.275 330 P C -0.981 176.351 177.300 0.054 0.000 1.270 330 P CA 0.013 63.127 63.100 0.024 0.000 0.791 330 P CB 0.720 32.486 31.700 0.111 0.000 1.089 331 D N -0.547 119.912 120.400 0.097 0.000 2.329 331 D HA 0.440 5.080 4.640 -0.000 0.000 0.246 331 D C -0.288 176.053 176.300 0.069 0.000 1.111 331 D CA -0.177 53.864 54.000 0.069 0.000 0.941 331 D CB 0.283 41.080 40.800 -0.005 0.000 1.169 331 D HN 0.317 nan 8.370 nan 0.000 0.441 332 M N 1.455 121.070 119.600 0.025 0.000 2.294 332 M HA 0.328 4.808 4.480 -0.000 0.000 0.280 332 M C -1.127 175.215 176.300 0.070 0.000 1.085 332 M CA -0.877 54.478 55.300 0.092 0.000 0.969 332 M CB 1.163 33.554 32.600 -0.349 0.000 1.770 332 M HN 0.189 nan 8.290 nan 0.000 0.485 333 I N 3.163 123.816 120.570 0.140 0.000 2.943 333 I HA 0.388 4.558 4.170 -0.000 0.000 0.296 333 I C 0.481 176.640 176.117 0.070 0.000 1.220 333 I CA 0.567 61.909 61.300 0.071 0.000 1.409 333 I CB -0.598 37.465 38.000 0.105 0.000 1.374 333 I HN 0.887 nan 8.210 nan 0.000 0.545 334 A N 5.156 127.973 122.820 -0.005 0.000 2.522 334 A HA 0.273 4.593 4.320 -0.000 0.000 0.291 334 A C -0.927 176.605 177.584 -0.086 0.000 1.039 334 A CA -0.817 51.232 52.037 0.021 0.000 0.643 334 A CB 0.811 19.881 19.000 0.118 0.000 1.310 334 A HN 0.652 nan 8.150 nan 0.000 0.436 335 D N 0.353 120.720 120.400 -0.056 0.000 2.478 335 D HA 0.037 4.677 4.640 -0.000 0.000 0.234 335 D C 1.144 177.434 176.300 -0.018 0.000 1.154 335 D CA 1.163 55.098 54.000 -0.107 0.000 0.874 335 D CB 1.186 42.040 40.800 0.089 0.000 1.198 335 D HN 0.518 nan 8.370 nan 0.000 0.455 336 S N 1.673 117.345 115.700 -0.046 0.000 2.720 336 S HA 0.126 4.596 4.470 -0.000 0.000 0.222 336 S C 1.154 175.788 174.600 0.057 0.000 0.958 336 S CA 0.700 58.896 58.200 -0.006 0.000 0.943 336 S CB -0.146 63.035 63.200 -0.031 0.000 0.779 336 S HN 0.614 nan 8.310 nan 0.000 0.526 337 G N 0.307 109.161 108.800 0.090 0.000 2.597 337 G HA2 0.168 4.128 3.960 -0.000 0.000 0.196 337 G HA3 0.168 4.128 3.960 -0.000 0.000 0.196 337 G C 1.096 176.087 174.900 0.152 0.000 1.176 337 G CA -0.278 44.884 45.100 0.103 0.000 0.747 337 G HN 0.425 nan 8.290 nan 0.000 0.821 338 K N -0.363 120.153 120.400 0.193 0.000 2.525 338 K HA 0.171 4.491 4.320 -0.000 0.000 0.192 338 K C 1.239 178.009 176.600 0.284 0.000 1.029 338 K CA 0.258 56.717 56.287 0.286 0.000 1.029 338 K CB 0.111 32.818 32.500 0.345 0.000 0.814 338 K HN 0.433 nan 8.250 nan 0.000 0.503 339 Y N 0.340 120.688 120.300 0.080 0.000 2.439 339 Y HA 0.110 4.660 4.550 -0.000 0.000 0.281 339 Y C 1.795 177.700 175.900 0.009 0.000 1.145 339 Y CA 0.369 58.481 58.100 0.020 0.000 1.252 339 Y CB 0.124 38.570 38.460 -0.024 0.000 1.271 339 Y HN -0.188 nan 8.280 nan 0.000 0.516 340 I N 0.927 121.639 120.570 0.237 0.000 2.236 340 I HA -0.374 3.796 4.170 -0.000 0.000 0.249 340 I C 2.369 178.501 176.117 0.026 0.000 1.102 340 I CA 1.872 63.244 61.300 0.120 0.000 1.365 340 I CB -0.320 37.746 38.000 0.111 0.000 1.051 340 I HN 0.255 nan 8.210 nan 0.000 0.420 341 K N 0.740 121.169 120.400 0.048 0.000 2.103 341 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 341 K C 2.165 178.687 176.600 -0.129 0.000 1.052 341 K CA 0.951 57.249 56.287 0.019 0.000 0.945 341 K CB 0.016 32.593 32.500 0.129 0.000 0.722 341 K HN 0.120 nan 8.250 nan 0.000 0.443 342 L N 1.604 122.751 121.223 -0.126 0.000 2.093 342 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 342 L C 2.204 178.939 176.870 -0.225 0.000 1.085 342 L CA 1.708 56.384 54.840 -0.274 0.000 0.755 342 L CB -0.407 41.572 42.059 -0.134 0.000 0.904 342 L HN 0.229 nan 8.230 nan 0.000 0.435 343 Q N -0.918 118.721 119.800 -0.267 0.000 2.230 343 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 343 Q C 1.686 177.656 176.000 -0.051 0.000 0.963 343 Q CA 1.388 57.056 55.803 -0.224 0.000 0.866 343 Q CB 0.080 28.662 28.738 -0.260 0.000 0.931 343 Q HN 0.586 nan 8.270 nan 0.000 0.452 344 N N -0.930 117.740 118.700 -0.050 0.000 2.409 344 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 344 N C 1.472 176.982 175.510 -0.000 0.000 1.032 344 N CA 0.475 53.516 53.050 -0.016 0.000 0.898 344 N CB 0.202 38.676 38.487 -0.022 0.000 0.971 344 N HN -0.010 nan 8.380 nan 0.000 0.441 345 V N 0.226 120.117 119.914 -0.037 0.000 2.255 345 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 345 V C 1.482 177.630 176.094 0.090 0.000 1.051 345 V CA 1.640 63.908 62.300 -0.054 0.000 1.018 345 V CB -0.609 31.062 31.823 -0.254 0.000 0.641 345 V HN 0.289 nan 8.190 nan 0.000 0.445 346 Y N 0.091 120.396 120.300 0.009 0.000 2.109 346 Y HA -0.147 4.403 4.550 -0.000 0.000 0.285 346 Y C 2.672 178.557 175.900 -0.025 0.000 1.131 346 Y CA 1.788 59.916 58.100 0.047 0.000 1.121 346 Y CB -0.695 37.766 38.460 0.002 0.000 0.987 346 Y HN 0.050 nan 8.280 nan 0.000 0.495 347 R N 0.500 121.084 120.500 0.141 0.000 2.226 347 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 347 R C 1.638 177.948 176.300 0.017 0.000 1.161 347 R CA 1.680 57.809 56.100 0.049 0.000 0.997 347 R CB -0.027 30.287 30.300 0.024 0.000 0.870 347 R HN 0.283 nan 8.270 nan 0.000 0.465 348 E N 0.215 120.428 120.200 0.022 0.000 2.140 348 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 348 E C 1.651 178.238 176.600 -0.021 0.000 0.973 348 E CA 0.788 57.189 56.400 0.002 0.000 0.829 348 E CB 0.060 29.766 29.700 0.011 0.000 0.781 348 E HN 0.109 nan 8.360 nan 0.000 0.466 349 K N 1.324 121.697 120.400 -0.046 0.000 2.062 349 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 349 K C 1.853 178.349 176.600 -0.174 0.000 1.051 349 K CA 1.375 57.560 56.287 -0.171 0.000 0.941 349 K CB -0.475 31.704 32.500 -0.535 0.000 0.719 349 K HN 0.020 nan 8.250 nan 0.000 0.440 350 A N 0.885 123.624 122.820 -0.136 0.000 2.024 350 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 350 A C 1.862 179.384 177.584 -0.103 0.000 1.164 350 A CA 1.757 53.724 52.037 -0.117 0.000 0.643 350 A CB -0.412 18.550 19.000 -0.064 0.000 0.806 350 A HN 0.381 nan 8.150 nan 0.000 0.451 351 K N -0.497 119.858 120.400 -0.074 0.000 2.228 351 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 351 K C 1.930 178.488 176.600 -0.069 0.000 1.051 351 K CA 1.239 57.487 56.287 -0.065 0.000 0.960 351 K CB -0.039 32.435 32.500 -0.043 0.000 0.743 351 K HN 0.431 nan 8.250 nan 0.000 0.458 352 K N 0.705 121.066 120.400 -0.066 0.000 2.044 352 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 352 K C 1.583 178.156 176.600 -0.045 0.000 1.045 352 K CA 1.266 57.525 56.287 -0.047 0.000 0.951 352 K CB 0.005 32.486 32.500 -0.032 0.000 0.738 352 K HN -0.041 nan 8.250 nan 0.000 0.443 353 D N 0.799 121.157 120.400 -0.070 0.000 2.182 353 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 353 D C 1.660 177.784 176.300 -0.293 0.000 0.986 353 D CA 1.220 55.169 54.000 -0.085 0.000 0.847 353 D CB -0.020 40.699 40.800 -0.134 0.000 0.942 353 D HN 0.250 nan 8.370 nan 0.000 0.467 354 A N 0.532 123.219 122.820 -0.223 0.000 1.854 354 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 354 A C 2.285 179.769 177.584 -0.166 0.000 1.192 354 A CA 1.815 53.718 52.037 -0.224 0.000 0.611 354 A CB -0.915 17.989 19.000 -0.159 0.000 0.832 354 A HN 0.208 nan 8.150 nan 0.000 0.442 355 A N 0.029 122.782 122.820 -0.112 0.000 1.940 355 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 355 A C 2.467 179.996 177.584 -0.091 0.000 1.176 355 A CA 2.255 54.240 52.037 -0.086 0.000 0.631 355 A CB -1.034 17.929 19.000 -0.063 0.000 0.814 355 A HN 1.066 nan 8.150 nan 0.000 0.446 356 A N -0.391 122.387 122.820 -0.070 0.000 1.851 356 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 356 A C 2.199 179.705 177.584 -0.131 0.000 1.195 356 A CA 2.056 54.065 52.037 -0.047 0.000 0.622 356 A CB -1.206 17.919 19.000 0.210 0.000 0.831 356 A HN 0.543 nan 8.150 nan 0.000 0.444 357 V N 0.205 120.051 119.914 -0.113 0.000 2.453 357 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 357 V C 2.748 178.802 176.094 -0.067 0.000 1.068 357 V CA 1.897 64.151 62.300 -0.077 0.000 1.070 357 V CB -1.631 30.056 31.823 -0.226 0.000 0.664 357 V HN 0.659 nan 8.190 nan 0.000 0.461 358 G N -0.115 108.626 108.800 -0.098 0.000 2.450 358 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 358 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 358 G C 1.373 176.237 174.900 -0.060 0.000 1.130 358 G CA 1.197 46.254 45.100 -0.072 0.000 0.760 358 G HN 0.651 nan 8.290 nan 0.000 0.557 359 N N -0.459 118.178 118.700 -0.105 0.000 2.109 359 N HA -0.075 4.665 4.740 -0.000 0.000 0.188 359 N C 1.966 177.458 175.510 -0.029 0.000 1.034 359 N CA 0.629 53.618 53.050 -0.101 0.000 0.846 359 N CB -0.211 38.168 38.487 -0.180 0.000 1.010 359 N HN 0.182 nan 8.380 nan 0.000 0.425 360 H N 0.649 119.727 119.070 0.014 0.000 2.390 360 H HA -0.068 4.488 4.556 -0.000 0.000 0.298 360 H C 2.243 177.569 175.328 -0.003 0.000 1.106 360 H CA 0.768 56.822 56.048 0.011 0.000 1.297 360 H CB -0.494 29.287 29.762 0.031 0.000 1.375 360 H HN 0.059 nan 8.280 nan 0.000 0.509 361 V N 0.900 120.875 119.914 0.102 0.000 2.307 361 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 361 V C 2.747 178.859 176.094 0.029 0.000 1.045 361 V CA 1.564 63.890 62.300 0.043 0.000 1.024 361 V CB -1.011 30.814 31.823 0.004 0.000 0.651 361 V HN 0.507 nan 8.190 nan 0.000 0.449 362 A N -0.094 122.737 122.820 0.017 0.000 1.865 362 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 362 A C 2.252 179.848 177.584 0.019 0.000 1.191 362 A CA 2.281 54.324 52.037 0.010 0.000 0.623 362 A CB -0.517 18.481 19.000 -0.003 0.000 0.826 362 A HN 0.561 nan 8.150 nan 0.000 0.444 363 K N -0.953 119.466 120.400 0.033 0.000 2.009 363 K HA -0.117 4.203 4.320 -0.000 0.000 0.210 363 K C 1.845 178.465 176.600 0.033 0.000 1.049 363 K CA 1.349 57.658 56.287 0.036 0.000 0.929 363 K CB -0.432 32.104 32.500 0.060 0.000 0.714 363 K HN 0.280 nan 8.250 nan 0.000 0.440 364 L N 1.344 122.592 121.223 0.042 0.000 2.043 364 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 364 L C 2.061 178.945 176.870 0.023 0.000 1.075 364 L CA 1.572 56.429 54.840 0.030 0.000 0.752 364 L CB -0.544 41.535 42.059 0.034 0.000 0.891 364 L HN 0.205 nan 8.230 nan 0.000 0.432 365 L N -1.685 119.552 121.223 0.023 0.000 2.093 365 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 365 L C 2.550 179.428 176.870 0.014 0.000 1.085 365 L CA 0.985 55.836 54.840 0.018 0.000 0.755 365 L CB -0.394 41.674 42.059 0.015 0.000 0.904 365 L HN 0.385 nan 8.230 nan 0.000 0.435 366 Q N -0.332 119.476 119.800 0.013 0.000 2.046 366 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 366 Q C 2.346 178.352 176.000 0.009 0.000 0.975 366 Q CA 1.864 57.673 55.803 0.010 0.000 0.836 366 Q CB -0.225 28.518 28.738 0.009 0.000 0.896 366 Q HN 0.572 nan 8.270 nan 0.000 0.428 367 S N -0.077 115.629 115.700 0.010 0.000 2.493 367 S HA -0.100 4.370 4.470 -0.000 0.000 0.243 367 S C 1.678 176.282 174.600 0.006 0.000 0.991 367 S CA 0.759 58.962 58.200 0.007 0.000 0.957 367 S CB -0.210 62.993 63.200 0.006 0.000 0.756 367 S HN 0.287 nan 8.310 nan 0.000 0.521 368 I N 0.103 120.678 120.570 0.009 0.000 2.729 368 I HA 0.301 4.471 4.170 -0.000 0.000 0.256 368 I C 2.025 178.147 176.117 0.009 0.000 1.115 368 I CA 0.757 62.063 61.300 0.010 0.000 1.446 368 I CB 0.132 38.141 38.000 0.015 0.000 1.176 368 I HN 0.547 nan 8.210 nan 0.000 0.446 369 G N 0.621 109.427 108.800 0.009 0.000 2.273 369 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.162 369 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.162 369 G C 0.034 174.939 174.900 0.008 0.000 1.006 369 G CA -0.572 44.532 45.100 0.007 0.000 0.704 369 G HN 0.298 nan 8.290 nan 0.000 0.487 370 Q N 0.152 119.958 119.800 0.010 0.000 2.205 370 Q HA 0.703 5.043 4.340 -0.000 0.000 0.249 370 Q C 0.484 176.489 176.000 0.008 0.000 0.948 370 Q CA -0.171 55.638 55.803 0.010 0.000 0.895 370 Q CB 1.724 30.471 28.738 0.014 0.000 1.249 370 Q HN 0.609 nan 8.270 nan 0.000 0.458 371 A N 2.252 125.076 122.820 0.006 0.000 2.520 371 A HA 0.133 4.453 4.320 -0.000 0.000 0.245 371 A C -1.619 175.966 177.584 0.003 0.000 1.072 371 A CA -1.024 51.015 52.037 0.004 0.000 0.761 371 A CB -0.275 18.726 19.000 0.002 0.000 1.004 371 A HN 0.549 nan 8.150 nan 0.000 0.499 372 P HA -0.188 nan 4.420 nan 0.000 0.219 372 P C 0.623 177.920 177.300 -0.004 0.000 1.153 372 P CA 1.672 64.771 63.100 -0.001 0.000 0.865 372 P CB 0.312 32.011 31.700 -0.003 0.000 0.788 373 E N -1.452 118.746 120.200 -0.004 0.000 2.598 373 E HA 0.150 4.500 4.350 -0.000 0.000 0.233 373 E C 1.010 177.607 176.600 -0.004 0.000 1.173 373 E CA -0.117 56.279 56.400 -0.007 0.000 1.473 373 E CB -1.125 28.570 29.700 -0.008 0.000 1.398 373 E HN -0.125 nan 8.360 nan 0.000 0.431 374 S N 0.132 115.831 115.700 -0.001 0.000 2.528 374 S HA 0.236 4.706 4.470 -0.000 0.000 0.219 374 S C 0.564 175.164 174.600 0.000 0.000 0.985 374 S CA -0.074 58.128 58.200 0.002 0.000 0.914 374 S CB 0.153 63.357 63.200 0.007 0.000 0.776 374 S HN 0.346 nan 8.310 nan 0.000 0.526 375 I N 2.585 123.152 120.570 -0.006 0.000 2.476 375 I HA 0.241 4.411 4.170 -0.000 0.000 0.281 375 I C 0.101 176.206 176.117 -0.020 0.000 1.040 375 I CA -0.674 60.619 61.300 -0.012 0.000 1.094 375 I CB 2.012 40.003 38.000 -0.015 0.000 1.219 375 I HN 0.206 nan 8.210 nan 0.000 0.450 376 S N 3.522 119.210 115.700 -0.021 0.000 2.569 376 S HA 0.004 4.474 4.470 -0.000 0.000 0.274 376 S C 1.006 175.585 174.600 -0.036 0.000 1.353 376 S CA -0.136 58.049 58.200 -0.025 0.000 1.023 376 S CB 1.288 64.474 63.200 -0.024 0.000 0.876 376 S HN 0.800 nan 8.310 nan 0.000 0.540 377 E N 1.060 121.238 120.200 -0.037 0.000 2.274 377 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 377 E C 1.696 178.264 176.600 -0.054 0.000 0.996 377 E CA 0.731 57.103 56.400 -0.046 0.000 0.840 377 E CB -0.085 29.591 29.700 -0.041 0.000 0.772 377 E HN 0.717 nan 8.360 nan 0.000 0.491 378 K N 0.514 120.883 120.400 -0.051 0.000 2.026 378 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 378 K C 2.056 178.612 176.600 -0.075 0.000 1.048 378 K CA 1.721 57.971 56.287 -0.063 0.000 0.929 378 K CB -0.059 32.406 32.500 -0.058 0.000 0.713 378 K HN 0.216 nan 8.250 nan 0.000 0.439 379 E N 0.844 121.005 120.200 -0.064 0.000 2.051 379 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 379 E C 2.042 178.594 176.600 -0.080 0.000 0.991 379 E CA 0.811 57.170 56.400 -0.068 0.000 0.799 379 E CB -0.154 29.515 29.700 -0.051 0.000 0.748 379 E HN 0.078 nan 8.360 nan 0.000 0.449 380 L N 2.012 123.188 121.223 -0.077 0.000 1.963 380 L HA -0.272 4.068 4.340 -0.000 0.000 0.220 380 L C 2.027 178.836 176.870 -0.102 0.000 1.076 380 L CA 2.004 56.789 54.840 -0.091 0.000 0.772 380 L CB -0.372 41.638 42.059 -0.081 0.000 0.892 380 L HN -0.052 nan 8.230 nan 0.000 0.435 381 K N -1.015 119.330 120.400 -0.090 0.000 2.044 381 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 381 K C 2.085 178.630 176.600 -0.092 0.000 1.049 381 K CA 1.998 58.232 56.287 -0.090 0.000 0.927 381 K CB -0.582 31.873 32.500 -0.075 0.000 0.713 381 K HN 0.311 nan 8.250 nan 0.000 0.443 382 L N 1.103 122.269 121.223 -0.094 0.000 2.141 382 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 382 L C 2.045 178.861 176.870 -0.090 0.000 1.094 382 L CA 1.002 55.786 54.840 -0.093 0.000 0.763 382 L CB -0.250 41.743 42.059 -0.110 0.000 0.908 382 L HN 0.094 nan 8.230 nan 0.000 0.437 383 L N -0.932 120.228 121.223 -0.104 0.000 2.005 383 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 383 L C 2.454 179.242 176.870 -0.137 0.000 1.072 383 L CA 1.965 56.732 54.840 -0.122 0.000 0.744 383 L CB -1.051 40.924 42.059 -0.140 0.000 0.895 383 L HN 0.341 nan 8.230 nan 0.000 0.433 384 C N -0.038 119.173 119.300 -0.149 0.000 2.413 384 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 384 C C 3.057 177.961 174.990 -0.144 0.000 1.228 384 C CA 1.229 60.140 59.018 -0.179 0.000 1.731 384 C CB -1.388 26.230 27.740 -0.202 0.000 2.042 384 C HN 0.789 nan 8.230 nan 0.000 0.468 385 S N 0.892 116.534 115.700 -0.097 0.000 2.469 385 S HA -0.119 4.351 4.470 -0.000 0.000 0.238 385 S C 1.240 175.840 174.600 0.001 0.000 0.998 385 S CA 1.356 59.529 58.200 -0.045 0.000 0.957 385 S CB -0.458 62.730 63.200 -0.021 0.000 0.764 385 S HN 0.682 nan 8.310 nan 0.000 0.514 386 N N 0.984 119.665 118.700 -0.032 0.000 2.197 386 N HA 0.113 4.853 4.740 -0.000 0.000 0.201 386 N C 1.653 177.061 175.510 -0.170 0.000 1.148 386 N CA 0.797 53.870 53.050 0.038 0.000 0.883 386 N CB 0.369 38.893 38.487 0.061 0.000 1.012 386 N HN 0.612 nan 8.380 nan 0.000 0.507 387 S N 1.217 116.789 115.700 -0.213 0.000 2.409 387 S HA -0.270 4.200 4.470 -0.000 0.000 0.237 387 S C 1.994 176.379 174.600 -0.357 0.000 1.060 387 S CA 1.552 59.606 58.200 -0.244 0.000 1.052 387 S CB -0.324 62.753 63.200 -0.205 0.000 0.871 387 S HN 0.289 nan 8.310 nan 0.000 0.465 388 A N 0.173 122.617 122.820 -0.625 0.000 2.119 388 A HA 0.333 4.653 4.320 -0.000 0.000 0.217 388 A C 1.413 178.506 177.584 -0.818 0.000 1.153 388 A CA 0.778 52.326 52.037 -0.815 0.000 0.692 388 A CB -0.592 17.745 19.000 -1.106 0.000 0.799 388 A HN 0.715 nan 8.150 nan 0.000 0.458 389 F N -0.423 119.486 119.950 -0.068 0.000 2.698 389 F HA 0.383 4.910 4.527 -0.000 0.000 0.304 389 F C 0.259 176.017 175.800 -0.070 0.000 1.108 389 F CA -0.744 57.218 58.000 -0.064 0.000 1.263 389 F CB -0.224 38.738 39.000 -0.064 0.000 1.013 389 F HN -0.099 nan 8.300 nan 0.000 0.532 390 L N 2.088 123.311 121.223 -0.001 0.000 2.503 390 L HA 0.167 4.507 4.340 -0.000 0.000 0.287 390 L C 0.363 177.239 176.870 0.011 0.000 1.252 390 L CA 0.298 55.150 54.840 0.020 0.000 0.835 390 L CB 0.177 42.239 42.059 0.005 0.000 1.099 390 L HN 0.161 nan 8.230 nan 0.000 0.516 391 R N 1.290 121.776 120.500 -0.023 0.000 2.604 391 R HA 0.609 4.949 4.340 -0.000 0.000 0.270 391 R C -1.645 174.553 176.300 -0.170 0.000 1.052 391 R CA -0.704 55.362 56.100 -0.056 0.000 0.902 391 R CB 2.135 32.419 30.300 -0.027 0.000 1.233 391 R HN 0.295 nan 8.270 nan 0.000 0.455 392 V N 2.575 122.413 119.914 -0.126 0.000 2.525 392 V HA 0.440 4.560 4.120 -0.000 0.000 0.299 392 V C -0.537 175.522 176.094 -0.058 0.000 1.034 392 V CA -0.763 61.428 62.300 -0.181 0.000 0.863 392 V CB 2.359 34.106 31.823 -0.125 0.000 0.999 392 V HN 0.427 nan 8.190 nan 0.000 0.423 393 V N 6.121 126.006 119.914 -0.049 0.000 2.459 393 V HA 0.604 4.724 4.120 -0.000 0.000 0.295 393 V C -0.128 175.990 176.094 0.040 0.000 1.029 393 V CA -0.760 61.550 62.300 0.017 0.000 0.874 393 V CB 1.995 33.839 31.823 0.035 0.000 0.985 393 V HN 0.799 nan 8.190 nan 0.000 0.438 394 R N 2.850 123.382 120.500 0.054 0.000 2.451 394 R HA 0.559 4.899 4.340 -0.000 0.000 0.307 394 R C -1.326 175.025 176.300 0.084 0.000 0.965 394 R CA -0.416 55.731 56.100 0.080 0.000 0.865 394 R CB 1.624 31.987 30.300 0.104 0.000 1.174 394 R HN 0.720 nan 8.270 nan 0.000 0.455 395 C N 2.763 122.122 119.300 0.099 0.000 2.369 395 C HA 0.388 4.848 4.460 -0.000 0.000 0.358 395 C C 0.785 175.892 174.990 0.194 0.000 1.274 395 C CA -0.924 58.157 59.018 0.105 0.000 1.935 395 C CB 0.389 28.166 27.740 0.060 0.000 2.431 395 C HN 0.702 nan 8.230 nan 0.000 0.545 396 R N 2.031 122.599 120.500 0.114 0.000 2.590 396 R HA 0.281 4.621 4.340 -0.000 0.000 0.274 396 R C 0.840 177.135 176.300 -0.009 0.000 1.061 396 R CA 0.099 56.233 56.100 0.057 0.000 1.081 396 R CB 0.527 30.845 30.300 0.029 0.000 0.984 396 R HN 0.953 nan 8.270 nan 0.000 0.448 397 S N 2.011 117.514 115.700 -0.328 0.000 2.598 397 S HA -0.039 4.431 4.470 -0.000 0.000 0.256 397 S C 1.115 175.586 174.600 -0.215 0.000 1.350 397 S CA -0.651 57.198 58.200 -0.584 0.000 0.984 397 S CB 0.549 62.822 63.200 -1.543 0.000 0.930 397 S HN 0.567 nan 8.310 nan 0.000 0.577 398 L N 1.440 122.581 121.223 -0.137 0.000 2.072 398 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 398 L C 2.737 179.596 176.870 -0.019 0.000 1.079 398 L CA 2.167 56.992 54.840 -0.024 0.000 0.752 398 L CB -1.651 40.380 42.059 -0.046 0.000 0.906 398 L HN 0.954 nan 8.230 nan 0.000 0.436 399 A N -0.680 122.067 122.820 -0.122 0.000 1.948 399 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 399 A C 2.129 179.708 177.584 -0.009 0.000 1.177 399 A CA 2.059 54.054 52.037 -0.068 0.000 0.636 399 A CB -0.636 18.275 19.000 -0.149 0.000 0.815 399 A HN 0.621 nan 8.150 nan 0.000 0.449 400 E N -0.820 119.329 120.200 -0.085 0.000 2.110 400 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 400 E C 2.081 178.722 176.600 0.068 0.000 0.988 400 E CA 1.185 57.566 56.400 -0.033 0.000 0.804 400 E CB -0.158 29.489 29.700 -0.089 0.000 0.745 400 E HN 0.863 nan 8.360 nan 0.000 0.458 401 E N 0.286 120.558 120.200 0.120 0.000 2.072 401 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 401 E C 1.101 177.858 176.600 0.262 0.000 0.982 401 E CA 0.759 57.270 56.400 0.185 0.000 0.803 401 E CB 0.015 29.858 29.700 0.238 0.000 0.755 401 E HN 0.261 nan 8.360 nan 0.000 0.453 402 Y N 0.448 120.826 120.300 0.130 0.000 2.477 402 Y HA 0.237 4.787 4.550 -0.000 0.000 0.303 402 Y C 0.811 176.876 175.900 0.275 0.000 1.202 402 Y CA 0.482 58.711 58.100 0.215 0.000 1.282 402 Y CB 0.315 38.868 38.460 0.155 0.000 1.071 402 Y HN -0.009 nan 8.280 nan 0.000 0.510 403 G N -0.271 108.702 108.800 0.288 0.000 2.353 403 G HA2 0.283 4.243 3.960 -0.000 0.000 0.284 403 G HA3 0.283 4.243 3.960 -0.000 0.000 0.284 403 G C 0.804 175.763 174.900 0.099 0.000 1.172 403 G CA -0.447 44.746 45.100 0.155 0.000 0.854 403 G HN 0.354 nan 8.290 nan 0.000 0.485 404 L N 1.282 122.437 121.223 -0.112 0.000 2.083 404 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 404 L C 2.417 179.206 176.870 -0.136 0.000 1.083 404 L CA 1.233 55.876 54.840 -0.328 0.000 0.752 404 L CB -0.018 41.827 42.059 -0.356 0.000 0.899 404 L HN 0.574 nan 8.230 nan 0.000 0.433 405 D N -0.673 119.688 120.400 -0.064 0.000 2.149 405 D HA -0.118 4.522 4.640 -0.000 0.000 0.206 405 D C 1.941 178.242 176.300 0.001 0.000 0.967 405 D CA 1.840 55.820 54.000 -0.033 0.000 0.848 405 D CB 0.316 41.099 40.800 -0.028 0.000 0.998 405 D HN 0.329 nan 8.370 nan 0.000 0.474 406 T N -0.876 113.692 114.554 0.023 0.000 3.100 406 T HA 0.085 4.435 4.350 -0.000 0.000 0.253 406 T C 1.301 176.039 174.700 0.062 0.000 1.118 406 T CA -0.521 61.601 62.100 0.036 0.000 1.058 406 T CB 0.017 68.901 68.868 0.027 0.000 0.953 406 T HN 0.000 nan 8.240 nan 0.000 0.515 407 I N 3.076 123.710 120.570 0.106 0.000 3.110 407 I HA -0.044 4.126 4.170 -0.000 0.000 0.305 407 I C 0.558 176.716 176.117 0.067 0.000 1.232 407 I CA 0.141 61.515 61.300 0.123 0.000 1.431 407 I CB 0.317 38.448 38.000 0.219 0.000 1.320 407 I HN 0.133 nan 8.210 nan 0.000 0.583 408 N N 6.189 124.916 118.700 0.045 0.000 3.298 408 N HA 0.090 4.830 4.740 -0.000 0.000 0.292 408 N C 0.687 176.210 175.510 0.021 0.000 1.271 408 N CA 0.002 53.071 53.050 0.031 0.000 1.184 408 N CB 0.157 38.661 38.487 0.029 0.000 1.452 408 N HN 0.592 nan 8.380 nan 0.000 0.534 409 K N -0.046 120.368 120.400 0.023 0.000 2.113 409 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 409 K C 0.833 177.439 176.600 0.011 0.000 1.047 409 K CA 1.165 57.458 56.287 0.010 0.000 0.928 409 K CB 0.269 32.775 32.500 0.009 0.000 0.716 409 K HN 0.371 nan 8.250 nan 0.000 0.446 410 D N 0.781 121.193 120.400 0.019 0.000 2.092 410 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 410 D C 1.967 178.289 176.300 0.036 0.000 0.994 410 D CA 1.334 55.349 54.000 0.025 0.000 0.828 410 D CB -0.045 40.772 40.800 0.028 0.000 0.963 410 D HN 0.237 nan 8.370 nan 0.000 0.450 411 E N 0.870 121.097 120.200 0.045 0.000 2.051 411 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 411 E C 2.284 178.925 176.600 0.068 0.000 0.991 411 E CA 0.769 57.215 56.400 0.076 0.000 0.799 411 E CB -0.331 29.426 29.700 0.094 0.000 0.748 411 E HN 0.251 nan 8.360 nan 0.000 0.449 412 I N 0.456 121.036 120.570 0.016 0.000 2.052 412 I HA -0.337 3.833 4.170 -0.000 0.000 0.235 412 I C 2.412 178.530 176.117 0.002 0.000 1.046 412 I CA 1.691 62.980 61.300 -0.019 0.000 1.308 412 I CB -0.465 37.516 38.000 -0.030 0.000 1.031 412 I HN 0.210 nan 8.210 nan 0.000 0.395 413 I N -0.006 120.565 120.570 0.002 0.000 2.264 413 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 413 I C 2.796 178.924 176.117 0.020 0.000 1.111 413 I CA 1.395 62.697 61.300 0.003 0.000 1.382 413 I CB -0.502 37.497 38.000 -0.002 0.000 1.060 413 I HN 0.302 nan 8.210 nan 0.000 0.418 414 S N 0.671 116.391 115.700 0.034 0.000 2.344 414 S HA -0.212 4.258 4.470 -0.000 0.000 0.217 414 S C 2.285 176.920 174.600 0.059 0.000 1.033 414 S CA 2.179 60.406 58.200 0.044 0.000 1.017 414 S CB -0.346 62.885 63.200 0.052 0.000 0.941 414 S HN 0.412 nan 8.310 nan 0.000 0.430 415 S N 1.417 117.173 115.700 0.093 0.000 2.407 415 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 415 S C 1.749 176.400 174.600 0.086 0.000 1.036 415 S CA 1.397 59.679 58.200 0.136 0.000 1.013 415 S CB -0.399 62.967 63.200 0.277 0.000 0.820 415 S HN 0.466 nan 8.310 nan 0.000 0.476 416 M N 1.461 121.088 119.600 0.045 0.000 2.686 416 M HA 0.022 4.502 4.480 -0.000 0.000 0.246 416 M C 0.736 177.047 176.300 0.018 0.000 1.096 416 M CA 0.517 55.826 55.300 0.015 0.000 1.076 416 M CB -1.023 31.571 32.600 -0.009 0.000 1.504 416 M HN 0.151 nan 8.290 nan 0.000 0.524 417 D N 0.795 121.213 120.400 0.029 0.000 2.392 417 D HA -0.053 4.587 4.640 -0.000 0.000 0.228 417 D C 0.470 176.788 176.300 0.029 0.000 1.003 417 D CA 0.545 54.560 54.000 0.026 0.000 0.917 417 D CB 0.068 40.884 40.800 0.027 0.000 0.890 417 D HN 0.265 nan 8.370 nan 0.000 0.532 418 N N 0.321 119.042 118.700 0.034 0.000 2.524 418 N HA 0.132 4.872 4.740 -0.000 0.000 0.261 418 N C -2.247 173.283 175.510 0.034 0.000 0.998 418 N CA -1.859 51.214 53.050 0.039 0.000 0.915 418 N CB 2.079 40.594 38.487 0.048 0.000 1.187 418 N HN -0.279 nan 8.380 nan 0.000 0.507 419 P HA -0.043 nan 4.420 nan 0.000 0.224 419 P C -0.287 177.056 177.300 0.072 0.000 1.142 419 P CA 1.208 64.339 63.100 0.052 0.000 0.778 419 P CB 0.342 32.090 31.700 0.080 0.000 0.764 420 D N -2.802 117.646 120.400 0.079 0.000 2.479 420 D HA 0.033 4.673 4.640 -0.000 0.000 0.218 420 D C 0.213 176.546 176.300 0.056 0.000 1.177 420 D CA -0.137 53.931 54.000 0.114 0.000 0.830 420 D CB -0.228 40.668 40.800 0.160 0.000 1.014 420 D HN 0.164 nan 8.370 nan 0.000 0.503 421 N N 1.693 120.413 118.700 0.033 0.000 2.492 421 N HA -0.062 4.678 4.740 -0.000 0.000 0.262 421 N C 0.964 176.517 175.510 0.071 0.000 1.202 421 N CA 0.208 53.306 53.050 0.080 0.000 0.926 421 N CB 1.482 40.039 38.487 0.116 0.000 1.078 421 N HN -0.191 nan 8.380 nan 0.000 0.454 422 E N 2.626 122.919 120.200 0.154 0.000 2.197 422 E HA -0.246 4.104 4.350 -0.000 0.000 0.205 422 E C 1.488 178.110 176.600 0.038 0.000 1.029 422 E CA 1.231 57.718 56.400 0.145 0.000 0.828 422 E CB -0.240 29.618 29.700 0.263 0.000 0.737 422 E HN 0.658 nan 8.360 nan 0.000 0.464 423 I N 0.015 120.561 120.570 -0.039 0.000 2.381 423 I HA -0.294 3.876 4.170 -0.000 0.000 0.255 423 I C 1.707 177.722 176.117 -0.171 0.000 1.140 423 I CA 1.026 62.110 61.300 -0.360 0.000 1.404 423 I CB -0.105 37.654 38.000 -0.402 0.000 1.075 423 I HN -0.012 nan 8.210 nan 0.000 0.433 424 V N 0.376 120.177 119.914 -0.189 0.000 2.255 424 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 424 V C 2.486 178.403 176.094 -0.294 0.000 1.051 424 V CA 2.281 64.395 62.300 -0.311 0.000 1.018 424 V CB -1.039 30.406 31.823 -0.629 0.000 0.641 424 V HN 0.420 nan 8.190 nan 0.000 0.445 425 L N -0.903 120.215 121.223 -0.173 0.000 2.043 425 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 425 L C 2.581 179.418 176.870 -0.055 0.000 1.075 425 L CA 2.414 57.270 54.840 0.027 0.000 0.752 425 L CB -0.911 41.268 42.059 0.200 0.000 0.891 425 L HN 0.459 nan 8.230 nan 0.000 0.432 426 Y N 0.812 121.008 120.300 -0.173 0.000 2.181 426 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 426 Y C 2.308 178.009 175.900 -0.331 0.000 1.146 426 Y CA 1.416 59.387 58.100 -0.215 0.000 1.164 426 Y CB -0.239 38.083 38.460 -0.229 0.000 0.982 426 Y HN -0.012 nan 8.280 nan 0.000 0.515 427 L N -0.700 120.284 121.223 -0.398 0.000 2.017 427 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 427 L C 2.452 178.905 176.870 -0.695 0.000 1.073 427 L CA 1.278 55.817 54.840 -0.502 0.000 0.745 427 L CB -0.691 41.264 42.059 -0.174 0.000 0.894 427 L HN 0.274 nan 8.230 nan 0.000 0.432 428 M N -0.294 118.900 119.600 -0.675 0.000 2.202 428 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 428 M C 2.314 178.097 176.300 -0.861 0.000 1.063 428 M CA 1.655 56.395 55.300 -0.935 0.000 1.097 428 M CB -1.018 30.537 32.600 -1.742 0.000 1.382 428 M HN 0.277 nan 8.290 nan 0.000 0.413 429 L N -0.742 120.053 121.223 -0.712 0.000 2.056 429 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 429 L C 2.730 179.210 176.870 -0.649 0.000 1.078 429 L CA 0.905 55.393 54.840 -0.586 0.000 0.749 429 L CB -0.569 41.179 42.059 -0.517 0.000 0.901 429 L HN 0.251 nan 8.230 nan 0.000 0.433 430 R N 0.267 120.211 120.500 -0.925 0.000 2.075 430 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 430 R C 2.320 178.153 176.300 -0.778 0.000 1.126 430 R CA 1.390 56.897 56.100 -0.989 0.000 0.963 430 R CB -0.980 28.260 30.300 -1.766 0.000 0.858 430 R HN 0.337 nan 8.270 nan 0.000 0.435 431 A N 1.153 123.492 122.820 -0.802 0.000 1.859 431 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 431 A C 2.533 179.971 177.584 -0.243 0.000 1.198 431 A CA 2.182 53.946 52.037 -0.455 0.000 0.629 431 A CB -0.945 17.804 19.000 -0.418 0.000 0.830 431 A HN 0.107 nan 8.150 nan 0.000 0.446 432 V N 0.575 120.312 119.914 -0.295 0.000 2.324 432 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 432 V C 2.241 178.343 176.094 0.014 0.000 1.060 432 V CA 2.440 64.658 62.300 -0.137 0.000 1.042 432 V CB -0.888 30.765 31.823 -0.283 0.000 0.650 432 V HN 0.516 nan 8.190 nan 0.000 0.450 433 D N -0.631 119.717 120.400 -0.087 0.000 2.144 433 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 433 D C 2.326 178.646 176.300 0.034 0.000 0.984 433 D CA 1.136 55.139 54.000 0.004 0.000 0.834 433 D CB -0.222 40.544 40.800 -0.056 0.000 0.955 433 D HN 0.338 nan 8.370 nan 0.000 0.465 434 R N -0.425 120.058 120.500 -0.028 0.000 2.066 434 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 434 R C 2.343 178.662 176.300 0.031 0.000 1.131 434 R CA 0.845 56.946 56.100 0.003 0.000 0.955 434 R CB -0.555 29.736 30.300 -0.015 0.000 0.851 434 R HN 0.158 nan 8.270 nan 0.000 0.432 435 F N 0.912 120.813 119.950 -0.082 0.000 2.120 435 F HA -0.322 4.205 4.527 -0.000 0.000 0.300 435 F C 2.525 178.264 175.800 -0.103 0.000 1.095 435 F CA 2.122 60.078 58.000 -0.073 0.000 1.249 435 F CB -0.310 38.658 39.000 -0.053 0.000 0.995 435 F HN 0.213 nan 8.300 nan 0.000 0.480 436 H N 0.063 119.186 119.070 0.088 0.000 2.389 436 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 436 H C 2.102 177.333 175.328 -0.162 0.000 1.081 436 H CA 1.614 57.559 56.048 -0.171 0.000 1.345 436 H CB -0.015 29.392 29.762 -0.592 0.000 1.393 436 H HN 0.158 nan 8.280 nan 0.000 0.520 437 K N 1.067 121.417 120.400 -0.085 0.000 2.148 437 K HA -0.088 4.231 4.320 -0.000 0.000 0.204 437 K C 2.318 178.815 176.600 -0.171 0.000 1.050 437 K CA 1.229 57.457 56.287 -0.098 0.000 0.942 437 K CB 0.013 32.511 32.500 -0.002 0.000 0.724 437 K HN 0.471 nan 8.250 nan 0.000 0.446 438 Q N -0.653 119.023 119.800 -0.207 0.000 2.033 438 Q HA -0.058 4.282 4.340 -0.000 0.000 0.196 438 Q C 1.904 177.732 176.000 -0.287 0.000 0.970 438 Q CA 1.101 56.761 55.803 -0.239 0.000 0.828 438 Q CB 0.036 28.602 28.738 -0.286 0.000 0.895 438 Q HN 0.282 nan 8.270 nan 0.000 0.440 439 Q N -0.930 118.635 119.800 -0.392 0.000 2.302 439 Q HA 0.086 4.426 4.340 -0.000 0.000 0.202 439 Q C 1.086 176.936 176.000 -0.251 0.000 0.936 439 Q CA 1.029 56.640 55.803 -0.320 0.000 0.886 439 Q CB 0.678 29.185 28.738 -0.385 0.000 0.986 439 Q HN 0.564 nan 8.270 nan 0.000 0.487 440 G N 2.219 110.785 108.800 -0.389 0.000 2.137 440 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 440 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 440 G C -0.030 174.672 174.900 -0.329 0.000 1.002 440 G CA 0.414 45.255 45.100 -0.432 0.000 0.702 440 G HN 0.408 nan 8.290 nan 0.000 0.515 441 R N -1.972 118.368 120.500 -0.268 0.000 2.663 441 R HA 0.616 4.956 4.340 -0.000 0.000 0.267 441 R C -1.011 175.417 176.300 0.214 0.000 1.038 441 R CA -1.235 54.908 56.100 0.072 0.000 0.886 441 R CB 0.888 31.265 30.300 0.129 0.000 1.249 441 R HN 0.081 nan 8.270 nan 0.000 0.463 442 Y N 1.449 121.990 120.300 0.402 0.000 2.307 442 Y HA 0.331 4.881 4.550 -0.000 0.000 0.324 442 Y C -1.711 174.220 175.900 0.052 0.000 1.238 442 Y CA -2.033 56.244 58.100 0.296 0.000 1.280 442 Y CB 0.826 39.448 38.460 0.269 0.000 1.248 442 Y HN 0.406 nan 8.280 nan 0.000 0.508 443 P HA 0.063 nan 4.420 nan 0.000 0.271 443 P C 0.391 177.621 177.300 -0.117 0.000 1.216 443 P CA 0.607 63.390 63.100 -0.528 0.000 0.771 443 P CB 0.969 32.052 31.700 -1.028 0.000 0.864 444 G N 2.146 110.886 108.800 -0.101 0.000 2.225 444 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 444 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 444 G C 0.770 175.652 174.900 -0.029 0.000 1.024 444 G CA 0.127 45.193 45.100 -0.057 0.000 0.784 444 G HN 0.377 nan 8.290 nan 0.000 0.507 445 V N 0.131 120.042 119.914 -0.005 0.000 2.237 445 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 445 V C 2.058 178.146 176.094 -0.011 0.000 1.046 445 V CA 2.326 64.635 62.300 0.015 0.000 1.007 445 V CB -0.379 31.487 31.823 0.072 0.000 0.638 445 V HN 0.516 nan 8.190 nan 0.000 0.445 446 S N -0.167 115.503 115.700 -0.050 0.000 2.610 446 S HA 0.180 4.650 4.470 -0.000 0.000 0.273 446 S C 1.016 175.581 174.600 -0.058 0.000 1.274 446 S CA -0.339 57.849 58.200 -0.020 0.000 1.023 446 S CB 0.794 64.019 63.200 0.043 0.000 0.962 446 S HN 0.451 nan 8.310 nan 0.000 0.523 447 N N 0.242 118.967 118.700 0.043 0.000 2.272 447 N HA -0.203 4.537 4.740 -0.000 0.000 0.185 447 N C 1.427 176.975 175.510 0.064 0.000 1.014 447 N CA 1.400 54.478 53.050 0.047 0.000 0.870 447 N CB -0.206 38.324 38.487 0.072 0.000 0.975 447 N HN 0.820 nan 8.380 nan 0.000 0.433 448 Y N 0.158 120.474 120.300 0.027 0.000 2.519 448 Y HA 0.142 4.692 4.550 -0.000 0.000 0.287 448 Y C 1.663 177.586 175.900 0.038 0.000 1.128 448 Y CA 0.278 58.395 58.100 0.028 0.000 1.282 448 Y CB -0.236 38.240 38.460 0.027 0.000 1.027 448 Y HN 0.005 nan 8.280 nan 0.000 0.551 449 Q N 0.485 119.911 119.800 -0.625 0.000 2.331 449 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 449 Q C 2.188 178.096 176.000 -0.153 0.000 0.944 449 Q CA 0.964 56.490 55.803 -0.462 0.000 0.892 449 Q CB 0.039 28.477 28.738 -0.499 0.000 0.983 449 Q HN 0.459 nan 8.270 nan 0.000 0.482 450 V N 1.627 121.482 119.914 -0.099 0.000 2.231 450 V HA -0.365 3.755 4.120 -0.000 0.000 0.250 450 V C 2.230 178.325 176.094 0.001 0.000 1.058 450 V CA 2.313 64.592 62.300 -0.035 0.000 1.022 450 V CB -0.810 31.003 31.823 -0.016 0.000 0.640 450 V HN 0.388 nan 8.190 nan 0.000 0.445 451 E N 0.716 120.926 120.200 0.016 0.000 2.063 451 E HA -0.332 4.018 4.350 -0.000 0.000 0.221 451 E C 2.238 178.867 176.600 0.048 0.000 1.052 451 E CA 2.583 59.007 56.400 0.040 0.000 0.891 451 E CB -0.626 29.106 29.700 0.053 0.000 0.792 451 E HN 0.654 nan 8.360 nan 0.000 0.482 452 E N -0.520 119.708 120.200 0.048 0.000 2.038 452 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 452 E C 1.776 178.421 176.600 0.075 0.000 1.000 452 E CA 1.629 58.065 56.400 0.061 0.000 0.803 452 E CB -0.232 29.509 29.700 0.068 0.000 0.750 452 E HN 0.348 nan 8.360 nan 0.000 0.448 453 D N 0.389 120.832 120.400 0.073 0.000 2.221 453 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 453 D C 1.869 178.217 176.300 0.081 0.000 0.982 453 D CA 0.713 54.787 54.000 0.123 0.000 0.857 453 D CB -0.238 40.584 40.800 0.036 0.000 0.934 453 D HN 0.340 nan 8.370 nan 0.000 0.475 454 I N 0.567 121.164 120.570 0.045 0.000 2.315 454 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 454 I C 2.386 178.517 176.117 0.023 0.000 1.125 454 I CA 1.445 62.761 61.300 0.027 0.000 1.392 454 I CB -0.374 37.669 38.000 0.071 0.000 1.065 454 I HN 0.066 nan 8.210 nan 0.000 0.424 455 G N 0.664 109.496 108.800 0.053 0.000 2.408 455 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.213 455 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.213 455 G C 1.641 176.589 174.900 0.079 0.000 1.177 455 G CA 0.057 45.185 45.100 0.047 0.000 0.802 455 G HN 0.283 nan 8.290 nan 0.000 0.533 456 K N -0.290 120.193 120.400 0.139 0.000 2.281 456 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 456 K C 2.209 178.980 176.600 0.285 0.000 1.046 456 K CA 0.601 56.996 56.287 0.181 0.000 0.938 456 K CB -0.115 32.528 32.500 0.238 0.000 0.737 456 K HN 0.269 nan 8.250 nan 0.000 0.458 457 L N 1.376 122.760 121.223 0.267 0.000 2.102 457 L HA -0.068 4.272 4.340 -0.000 0.000 0.202 457 L C 2.220 179.128 176.870 0.064 0.000 1.076 457 L CA 1.641 56.596 54.840 0.192 0.000 0.761 457 L CB -0.341 41.713 42.059 -0.008 0.000 0.921 457 L HN -0.131 nan 8.230 nan 0.000 0.444 458 K N -0.001 120.409 120.400 0.018 0.000 2.074 458 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 458 K C 2.183 178.788 176.600 0.007 0.000 1.048 458 K CA 2.090 58.368 56.287 -0.015 0.000 0.926 458 K CB -0.668 31.815 32.500 -0.029 0.000 0.713 458 K HN 0.598 nan 8.250 nan 0.000 0.444 459 S N -0.647 115.069 115.700 0.026 0.000 2.356 459 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 459 S C 2.401 177.019 174.600 0.030 0.000 1.032 459 S CA 1.230 59.442 58.200 0.021 0.000 1.005 459 S CB -1.137 62.072 63.200 0.015 0.000 0.867 459 S HN 0.424 nan 8.310 nan 0.000 0.449 460 C N 1.224 120.555 119.300 0.051 0.000 2.413 460 C HA 0.045 4.505 4.460 -0.000 0.000 0.276 460 C C 2.639 177.665 174.990 0.061 0.000 1.248 460 C CA 0.876 59.927 59.018 0.056 0.000 1.742 460 C CB -1.590 26.212 27.740 0.105 0.000 2.017 460 C HN 0.679 nan 8.230 nan 0.000 0.481 461 L N 1.260 122.501 121.223 0.030 0.000 1.989 461 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 461 L C 2.513 179.449 176.870 0.111 0.000 1.071 461 L CA 2.500 57.365 54.840 0.041 0.000 0.749 461 L CB -1.474 40.566 42.059 -0.031 0.000 0.890 461 L HN 0.299 nan 8.230 nan 0.000 0.431 462 T N -0.331 114.252 114.554 0.048 0.000 2.684 462 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 462 T C 1.723 176.443 174.700 0.034 0.000 1.036 462 T CA 1.362 63.477 62.100 0.026 0.000 1.148 462 T CB -1.129 67.742 68.868 0.006 0.000 0.863 462 T HN 0.596 nan 8.240 nan 0.000 0.436 463 G N 0.442 109.274 108.800 0.053 0.000 2.479 463 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 463 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 463 G C 1.309 176.271 174.900 0.104 0.000 1.115 463 G CA 0.639 45.772 45.100 0.056 0.000 0.757 463 G HN 0.548 nan 8.290 nan 0.000 0.560 464 F N 0.698 120.638 119.950 -0.017 0.000 2.220 464 F HA 0.280 4.807 4.527 -0.000 0.000 0.290 464 F C 2.268 178.083 175.800 0.026 0.000 1.080 464 F CA 0.443 58.443 58.000 -0.001 0.000 1.318 464 F CB -0.278 38.663 39.000 -0.098 0.000 1.063 464 F HN 0.005 nan 8.300 nan 0.000 0.498 465 L N 0.448 121.468 121.223 -0.337 0.000 2.127 465 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 465 L C 2.616 179.339 176.870 -0.245 0.000 1.089 465 L CA 1.046 55.633 54.840 -0.421 0.000 0.757 465 L CB -0.730 41.236 42.059 -0.155 0.000 0.899 465 L HN 0.301 nan 8.230 nan 0.000 0.434 466 Q N -0.108 119.614 119.800 -0.129 0.000 1.941 466 Q HA -0.256 4.084 4.340 -0.000 0.000 0.201 466 Q C 2.048 177.997 176.000 -0.085 0.000 0.982 466 Q CA 1.562 57.316 55.803 -0.081 0.000 0.839 466 Q CB -0.370 28.343 28.738 -0.042 0.000 0.904 466 Q HN 0.472 nan 8.270 nan 0.000 0.427 467 E N -0.171 119.995 120.200 -0.058 0.000 2.164 467 E HA -0.236 4.114 4.350 -0.000 0.000 0.206 467 E C 1.015 177.489 176.600 -0.209 0.000 1.032 467 E CA 1.502 57.844 56.400 -0.095 0.000 0.832 467 E CB -0.073 29.621 29.700 -0.010 0.000 0.742 467 E HN 0.341 nan 8.360 nan 0.000 0.460 468 Y N -0.632 119.509 120.300 -0.265 0.000 2.493 468 Y HA 0.280 4.830 4.550 -0.000 0.000 0.275 468 Y C 0.955 176.723 175.900 -0.220 0.000 1.183 468 Y CA 0.307 58.249 58.100 -0.262 0.000 1.258 468 Y CB 0.806 39.025 38.460 -0.401 0.000 1.108 468 Y HN 0.132 nan 8.280 nan 0.000 0.521 469 G N 1.759 110.510 108.800 -0.082 0.000 2.334 469 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.279 469 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.279 469 G C -0.496 174.360 174.900 -0.073 0.000 0.918 469 G CA 0.086 45.141 45.100 -0.076 0.000 1.314 469 G HN 0.367 nan 8.290 nan 0.000 0.463 470 L N 0.900 122.058 121.223 -0.108 0.000 2.318 470 L HA 0.393 4.733 4.340 -0.000 0.000 0.277 470 L C 0.454 177.276 176.870 -0.080 0.000 1.008 470 L CA -0.607 54.172 54.840 -0.101 0.000 0.846 470 L CB 1.963 43.926 42.059 -0.159 0.000 1.220 470 L HN 0.170 nan 8.230 nan 0.000 0.423 471 S N 3.345 119.013 115.700 -0.053 0.000 3.036 471 S HA 0.394 4.864 4.470 -0.000 0.000 0.301 471 S C -0.058 174.522 174.600 -0.033 0.000 1.205 471 S CA -0.532 57.644 58.200 -0.040 0.000 0.999 471 S CB 0.030 63.212 63.200 -0.029 0.000 1.337 471 S HN 0.416 nan 8.310 nan 0.000 0.515 472 V N 0.928 120.820 119.914 -0.038 0.000 3.007 472 V HA 0.678 4.798 4.120 -0.000 0.000 0.311 472 V C -0.500 175.578 176.094 -0.026 0.000 1.120 472 V CA -1.272 61.010 62.300 -0.030 0.000 0.980 472 V CB 2.186 33.988 31.823 -0.035 0.000 1.033 472 V HN 0.605 nan 8.190 nan 0.000 0.429 473 M N 3.771 123.361 119.600 -0.017 0.000 2.129 473 M HA 0.656 5.136 4.480 -0.000 0.000 0.348 473 M C -1.795 174.498 176.300 -0.011 0.000 1.116 473 M CA -0.301 54.993 55.300 -0.010 0.000 1.022 473 M CB 1.354 33.955 32.600 0.002 0.000 1.599 473 M HN 0.675 nan 8.290 nan 0.000 0.449 474 V N 6.576 126.484 119.914 -0.011 0.000 2.326 474 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 474 V C 0.112 176.238 176.094 0.054 0.000 1.015 474 V CA -0.936 61.359 62.300 -0.010 0.000 0.823 474 V CB 1.226 33.017 31.823 -0.054 0.000 1.009 474 V HN 0.852 nan 8.190 nan 0.000 0.436 475 K N 2.567 123.050 120.400 0.139 0.000 2.591 475 K HA -0.085 4.235 4.320 -0.000 0.000 0.280 475 K C 0.363 177.022 176.600 0.098 0.000 0.964 475 K CA 0.424 56.796 56.287 0.142 0.000 1.014 475 K CB 0.663 33.286 32.500 0.205 0.000 0.877 475 K HN 0.614 nan 8.250 nan 0.000 0.502 476 D N 1.291 121.697 120.400 0.010 0.000 2.312 476 D HA -0.099 4.541 4.640 -0.000 0.000 0.211 476 D C 0.849 177.061 176.300 -0.146 0.000 0.964 476 D CA 0.726 54.666 54.000 -0.099 0.000 0.877 476 D CB 0.144 40.865 40.800 -0.132 0.000 0.924 476 D HN 0.431 nan 8.370 nan 0.000 0.515 477 D N -0.027 120.358 120.400 -0.026 0.000 2.123 477 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 477 D C 1.626 177.849 176.300 -0.128 0.000 0.992 477 D CA 1.040 55.022 54.000 -0.030 0.000 0.833 477 D CB -0.213 40.476 40.800 -0.185 0.000 0.954 477 D HN 0.382 nan 8.370 nan 0.000 0.455 478 Y N 0.693 120.996 120.300 0.005 0.000 2.224 478 Y HA -0.151 4.399 4.550 -0.000 0.000 0.289 478 Y C 2.568 178.468 175.900 -0.001 0.000 1.146 478 Y CA 0.392 58.512 58.100 0.033 0.000 1.182 478 Y CB -0.337 38.115 38.460 -0.013 0.000 0.983 478 Y HN -0.162 nan 8.280 nan 0.000 0.524 479 V N -0.512 119.402 119.914 -0.000 0.000 2.490 479 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 479 V C 2.093 178.138 176.094 -0.080 0.000 1.061 479 V CA 1.755 63.996 62.300 -0.099 0.000 1.064 479 V CB -0.612 31.098 31.823 -0.189 0.000 0.670 479 V HN 0.491 nan 8.190 nan 0.000 0.461 480 H N 0.034 119.089 119.070 -0.024 0.000 2.261 480 H HA -0.106 4.450 4.556 -0.000 0.000 0.301 480 H C 2.407 177.665 175.328 -0.116 0.000 1.067 480 H CA 1.867 57.876 56.048 -0.065 0.000 1.297 480 H CB -0.324 29.387 29.762 -0.084 0.000 1.377 480 H HN 0.350 nan 8.280 nan 0.000 0.492 481 E N 0.708 120.890 120.200 -0.031 0.000 2.108 481 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 481 E C 2.075 178.241 176.600 -0.724 0.000 1.022 481 E CA 1.175 57.358 56.400 -0.361 0.000 0.823 481 E CB -0.552 28.921 29.700 -0.379 0.000 0.744 481 E HN 0.266 nan 8.360 nan 0.000 0.456 482 F N -0.927 118.724 119.950 -0.498 0.000 2.365 482 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 482 F C 2.359 178.116 175.800 -0.072 0.000 1.090 482 F CA 0.696 58.523 58.000 -0.289 0.000 1.408 482 F CB -0.198 38.748 39.000 -0.090 0.000 1.060 482 F HN 0.164 nan 8.300 nan 0.000 0.534 483 C N -1.150 118.163 119.300 0.022 0.000 2.485 483 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 483 C C 2.821 177.804 174.990 -0.011 0.000 1.376 483 C CA 0.092 59.114 59.018 0.007 0.000 1.759 483 C CB -0.864 26.869 27.740 -0.011 0.000 1.970 483 C HN 0.397 nan 8.230 nan 0.000 0.509 484 R N 0.111 120.566 120.500 -0.075 0.000 2.070 484 R HA -0.111 4.229 4.340 -0.000 0.000 0.233 484 R C 2.085 178.405 176.300 0.034 0.000 1.137 484 R CA 1.668 57.735 56.100 -0.055 0.000 0.945 484 R CB -0.558 29.671 30.300 -0.119 0.000 0.845 484 R HN 0.637 nan 8.270 nan 0.000 0.430 485 Y N -0.241 120.008 120.300 -0.086 0.000 2.096 485 Y HA -0.250 4.300 4.550 -0.000 0.000 0.278 485 Y C 1.617 177.399 175.900 -0.196 0.000 1.192 485 Y CA 0.336 58.335 58.100 -0.169 0.000 1.143 485 Y CB -0.407 37.927 38.460 -0.211 0.000 0.963 485 Y HN 0.524 nan 8.280 nan 0.000 0.505 486 G N 0.199 109.030 108.800 0.051 0.000 2.338 486 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.296 486 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.296 486 G C 0.490 175.274 174.900 -0.194 0.000 1.040 486 G CA 0.225 45.308 45.100 -0.028 0.000 1.004 486 G HN 1.253 nan 8.290 nan 0.000 0.509 487 A N -2.877 119.631 122.820 -0.521 0.000 2.715 487 A HA 0.178 4.498 4.320 -0.000 0.000 0.301 487 A C 1.607 178.807 177.584 -0.641 0.000 1.515 487 A CA 1.988 53.414 52.037 -1.018 0.000 0.816 487 A CB -1.512 17.165 19.000 -0.538 0.000 1.004 487 A HN 2.586 nan 8.150 nan 0.000 0.483 488 A N -0.517 121.991 122.820 -0.519 0.000 2.322 488 A HA 0.599 4.919 4.320 -0.000 0.000 0.269 488 A C 0.516 177.900 177.584 -0.334 0.000 1.094 488 A CA 0.378 52.222 52.037 -0.322 0.000 0.807 488 A CB 0.391 19.261 19.000 -0.218 0.000 1.047 488 A HN 0.782 nan 8.150 nan 0.000 0.487 489 E N 1.730 121.804 120.200 -0.210 0.000 2.969 489 E HA 0.304 4.654 4.350 -0.000 0.000 0.213 489 E C -2.542 173.998 176.600 -0.101 0.000 1.107 489 E CA -1.912 54.392 56.400 -0.160 0.000 1.007 489 E CB 0.251 29.884 29.700 -0.112 0.000 1.326 489 E HN 0.344 nan 8.360 nan 0.000 0.432 490 P HA -0.038 nan 4.420 nan 0.000 0.260 490 P C 0.106 177.397 177.300 -0.014 0.000 1.207 490 P CA 0.337 63.402 63.100 -0.058 0.000 0.780 490 P CB 0.430 32.073 31.700 -0.095 0.000 0.789 491 H N 3.619 122.667 119.070 -0.036 0.000 2.292 491 H HA -0.248 4.308 4.556 -0.000 0.000 0.292 491 H C 1.715 177.041 175.328 -0.003 0.000 1.100 491 H CA 3.070 59.108 56.048 -0.017 0.000 1.238 491 H CB -0.339 29.411 29.762 -0.020 0.000 1.355 491 H HN 0.399 nan 8.280 nan 0.000 0.484 492 T N -1.035 113.569 114.554 0.083 0.000 2.803 492 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 492 T C 2.058 176.780 174.700 0.036 0.000 1.052 492 T CA 1.468 63.604 62.100 0.059 0.000 1.136 492 T CB -0.248 68.666 68.868 0.077 0.000 0.864 492 T HN 0.224 nan 8.240 nan 0.000 0.467 493 I N 2.358 122.943 120.570 0.025 0.000 2.233 493 I HA 0.050 4.220 4.170 -0.000 0.000 0.243 493 I C 3.160 179.304 176.117 0.044 0.000 1.093 493 I CA 1.017 62.367 61.300 0.084 0.000 1.380 493 I CB -1.817 36.203 38.000 0.032 0.000 1.067 493 I HN 0.341 nan 8.210 nan 0.000 0.413 494 A N 1.081 123.856 122.820 -0.075 0.000 1.908 494 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 494 A C 2.540 180.030 177.584 -0.158 0.000 1.181 494 A CA 2.175 54.139 52.037 -0.121 0.000 0.627 494 A CB -0.799 18.078 19.000 -0.204 0.000 0.818 494 A HN 0.423 nan 8.150 nan 0.000 0.445 495 A N -1.351 121.320 122.820 -0.249 0.000 1.969 495 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 495 A C 2.005 179.516 177.584 -0.122 0.000 1.169 495 A CA 1.472 53.388 52.037 -0.202 0.000 0.635 495 A CB -0.660 18.231 19.000 -0.182 0.000 0.810 495 A HN 0.730 nan 8.150 nan 0.000 0.445 496 F N 0.086 119.920 119.950 -0.192 0.000 2.051 496 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 496 F C 1.845 177.494 175.800 -0.253 0.000 1.122 496 F CA 1.905 59.748 58.000 -0.263 0.000 1.201 496 F CB -0.409 38.321 39.000 -0.450 0.000 0.978 496 F HN 0.172 nan 8.300 nan 0.000 0.472 497 L N 0.955 122.152 121.223 -0.043 0.000 2.012 497 L HA -0.057 4.282 4.340 -0.000 0.000 0.210 497 L C 2.705 179.465 176.870 -0.184 0.000 1.073 497 L CA 2.135 56.934 54.840 -0.068 0.000 0.748 497 L CB -1.574 40.525 42.059 0.067 0.000 0.891 497 L HN 0.340 nan 8.230 nan 0.000 0.431 498 G N -1.095 107.614 108.800 -0.152 0.000 2.672 498 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 498 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 498 G C 1.558 176.342 174.900 -0.192 0.000 1.238 498 G CA 0.962 45.974 45.100 -0.147 0.000 0.791 498 G HN 0.580 nan 8.290 nan 0.000 0.606 499 G N 0.951 109.603 108.800 -0.246 0.000 2.440 499 G HA2 0.017 3.977 3.960 -0.000 0.000 0.218 499 G HA3 0.017 3.977 3.960 -0.000 0.000 0.218 499 G C 2.078 176.782 174.900 -0.327 0.000 1.154 499 G CA 1.770 46.709 45.100 -0.268 0.000 0.767 499 G HN 0.801 nan 8.290 nan 0.000 0.552 500 A N 1.279 123.821 122.820 -0.463 0.000 1.858 500 A HA 0.236 4.556 4.320 -0.000 0.000 0.216 500 A C 2.878 180.267 177.584 -0.325 0.000 1.190 500 A CA 2.535 54.286 52.037 -0.477 0.000 0.617 500 A CB -1.032 17.603 19.000 -0.609 0.000 0.827 500 A HN 0.880 nan 8.150 nan 0.000 0.443 501 A N -0.139 122.533 122.820 -0.246 0.000 1.883 501 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 501 A C 2.549 180.059 177.584 -0.123 0.000 1.186 501 A CA 2.473 54.420 52.037 -0.149 0.000 0.624 501 A CB -1.225 17.716 19.000 -0.098 0.000 0.822 501 A HN 1.216 nan 8.150 nan 0.000 0.444 502 A N -0.840 121.899 122.820 -0.135 0.000 1.903 502 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 502 A C 2.168 179.685 177.584 -0.111 0.000 1.191 502 A CA 2.497 54.466 52.037 -0.113 0.000 0.638 502 A CB -0.615 18.320 19.000 -0.109 0.000 0.823 502 A HN 0.581 nan 8.150 nan 0.000 0.451 503 Q N -0.438 119.282 119.800 -0.134 0.000 2.119 503 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 503 Q C 1.786 177.722 176.000 -0.107 0.000 0.972 503 Q CA 1.920 57.645 55.803 -0.130 0.000 0.847 503 Q CB -0.245 28.388 28.738 -0.175 0.000 0.903 503 Q HN 0.644 nan 8.270 nan 0.000 0.433 504 E N -0.537 119.611 120.200 -0.086 0.000 2.106 504 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 504 E C 2.076 178.656 176.600 -0.034 0.000 0.984 504 E CA 1.184 57.580 56.400 -0.007 0.000 0.806 504 E CB -0.288 29.480 29.700 0.114 0.000 0.750 504 E HN 0.283 nan 8.360 nan 0.000 0.458 505 V N 1.259 121.138 119.914 -0.059 0.000 2.343 505 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 505 V C 2.359 178.394 176.094 -0.099 0.000 1.051 505 V CA 1.278 63.533 62.300 -0.076 0.000 1.036 505 V CB -0.435 31.344 31.823 -0.073 0.000 0.654 505 V HN 0.126 nan 8.190 nan 0.000 0.451 506 I N -0.319 120.176 120.570 -0.124 0.000 2.286 506 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 506 I C 2.432 178.477 176.117 -0.121 0.000 1.115 506 I CA 1.643 62.823 61.300 -0.200 0.000 1.392 506 I CB -0.410 37.409 38.000 -0.301 0.000 1.065 506 I HN 0.211 nan 8.210 nan 0.000 0.418 507 K N 0.338 120.722 120.400 -0.026 0.000 2.032 507 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 507 K C 2.112 178.755 176.600 0.071 0.000 1.048 507 K CA 1.611 57.963 56.287 0.108 0.000 0.927 507 K CB -0.302 32.278 32.500 0.134 0.000 0.712 507 K HN 0.274 nan 8.250 nan 0.000 0.441 508 I N 1.011 121.542 120.570 -0.066 0.000 2.127 508 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 508 I C 2.311 178.404 176.117 -0.040 0.000 1.075 508 I CA 1.452 62.642 61.300 -0.183 0.000 1.334 508 I CB -0.376 37.488 38.000 -0.226 0.000 1.040 508 I HN 0.140 nan 8.210 nan 0.000 0.405 509 I N 0.608 121.142 120.570 -0.061 0.000 2.179 509 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 509 I C 2.723 178.810 176.117 -0.051 0.000 1.088 509 I CA 2.119 63.382 61.300 -0.060 0.000 1.357 509 I CB -0.643 37.294 38.000 -0.105 0.000 1.051 509 I HN 0.414 nan 8.210 nan 0.000 0.409 510 T N -2.502 112.008 114.554 -0.074 0.000 3.043 510 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 510 T C 0.976 175.694 174.700 0.030 0.000 1.094 510 T CA 0.100 62.163 62.100 -0.062 0.000 1.127 510 T CB -0.141 68.654 68.868 -0.122 0.000 0.905 510 T HN 0.283 nan 8.240 nan 0.000 0.490 511 K N 0.660 121.119 120.400 0.097 0.000 3.117 511 K HA -0.204 4.116 4.320 -0.000 0.000 0.269 511 K C 0.785 177.408 176.600 0.038 0.000 1.098 511 K CA 0.774 57.122 56.287 0.101 0.000 0.785 511 K CB -1.476 31.034 32.500 0.017 0.000 1.242 511 K HN 0.538 nan 8.250 nan 0.000 0.491 512 Q N -1.026 118.837 119.800 0.105 0.000 2.317 512 Q HA 0.185 4.525 4.340 -0.000 0.000 0.220 512 Q C 0.041 175.893 176.000 -0.247 0.000 0.873 512 Q CA 0.460 56.243 55.803 -0.033 0.000 0.936 512 Q CB 0.489 29.240 28.738 0.022 0.000 1.105 512 Q HN 0.227 nan 8.270 nan 0.000 0.520 513 F N -1.205 118.844 119.950 0.165 0.000 2.953 513 F HA 0.409 4.936 4.527 -0.000 0.000 0.360 513 F C -0.290 175.572 175.800 0.103 0.000 1.249 513 F CA -1.177 56.916 58.000 0.155 0.000 1.063 513 F CB 0.640 39.721 39.000 0.135 0.000 1.500 513 F HN -0.480 nan 8.300 nan 0.000 0.517 514 V N 2.903 122.997 119.914 0.300 0.000 2.384 514 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 514 V C 0.002 176.204 176.094 0.181 0.000 1.020 514 V CA -0.908 61.503 62.300 0.185 0.000 0.850 514 V CB 0.960 32.860 31.823 0.127 0.000 0.987 514 V HN 0.558 nan 8.190 nan 0.000 0.436 515 I N 2.361 123.029 120.570 0.163 0.000 2.779 515 I HA 0.469 4.639 4.170 -0.000 0.000 0.285 515 I C 0.454 176.647 176.117 0.127 0.000 1.134 515 I CA -0.391 60.986 61.300 0.128 0.000 1.398 515 I CB 0.442 38.435 38.000 -0.011 0.000 1.404 515 I HN 0.643 nan 8.210 nan 0.000 0.587 516 F N 2.473 122.407 119.950 -0.027 0.000 2.545 516 F HA 0.232 4.759 4.527 -0.000 0.000 0.348 516 F C 1.109 176.922 175.800 0.022 0.000 1.163 516 F CA -0.337 57.656 58.000 -0.012 0.000 1.331 516 F CB -0.042 38.931 39.000 -0.046 0.000 1.138 516 F HN 0.652 nan 8.300 nan 0.000 0.602 517 N N 0.717 119.457 118.700 0.067 0.000 2.092 517 N HA -0.144 4.596 4.740 -0.000 0.000 0.189 517 N C 1.152 176.591 175.510 -0.119 0.000 1.040 517 N CA 1.614 54.641 53.050 -0.039 0.000 0.845 517 N CB -0.023 38.491 38.487 0.046 0.000 1.017 517 N HN 0.805 nan 8.380 nan 0.000 0.426 518 N N -2.302 116.423 118.700 0.042 0.000 3.411 518 N HA 0.173 4.913 4.740 -0.000 0.000 0.236 518 N C -1.181 174.436 175.510 0.178 0.000 1.053 518 N CA 0.470 53.536 53.050 0.026 0.000 1.133 518 N CB 0.865 39.401 38.487 0.082 0.000 1.460 518 N HN -0.101 nan 8.380 nan 0.000 0.724 519 T N 0.011 114.757 114.554 0.320 0.000 2.807 519 T HA 0.340 4.690 4.350 -0.000 0.000 0.279 519 T C -1.686 173.303 174.700 0.482 0.000 0.993 519 T CA -0.225 62.081 62.100 0.344 0.000 0.970 519 T CB 1.404 70.388 68.868 0.193 0.000 0.950 519 T HN 0.150 nan 8.240 nan 0.000 0.441 520 Y N 4.378 124.798 120.300 0.201 0.000 2.328 520 Y HA 0.579 5.129 4.550 -0.000 0.000 0.336 520 Y C -1.147 174.843 175.900 0.150 0.000 0.960 520 Y CA -1.555 56.587 58.100 0.069 0.000 1.134 520 Y CB 0.547 38.791 38.460 -0.361 0.000 1.166 520 Y HN 0.420 nan 8.280 nan 0.000 0.464 521 I N 7.584 128.027 120.570 -0.212 0.000 2.378 521 I HA 0.191 4.360 4.170 -0.000 0.000 0.291 521 I C -1.136 174.821 176.117 -0.267 0.000 0.992 521 I CA -0.947 60.316 61.300 -0.063 0.000 1.154 521 I CB 1.108 39.221 38.000 0.188 0.000 1.315 521 I HN 0.622 nan 8.210 nan 0.000 0.448 522 Y N 5.547 125.694 120.300 -0.254 0.000 2.341 522 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 522 Y C -0.213 175.572 175.900 -0.192 0.000 0.965 522 Y CA -0.704 57.214 58.100 -0.303 0.000 1.108 522 Y CB 1.778 40.034 38.460 -0.341 0.000 1.180 522 Y HN 0.531 nan 8.280 nan 0.000 0.458 523 S N 3.954 119.136 115.700 -0.862 0.000 2.474 523 S HA 0.433 4.903 4.470 -0.000 0.000 0.321 523 S C 0.866 174.846 174.600 -1.034 0.000 1.080 523 S CA 0.017 57.809 58.200 -0.680 0.000 1.106 523 S CB 0.615 63.651 63.200 -0.273 0.000 0.984 523 S HN 1.094 nan 8.310 nan 0.000 0.464 524 G N 4.289 112.573 108.800 -0.859 0.000 2.448 524 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 524 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 524 G C 1.194 175.922 174.900 -0.287 0.000 1.135 524 G CA 0.489 45.244 45.100 -0.576 0.000 0.784 524 G HN 0.687 nan 8.290 nan 0.000 0.543 525 M N 1.617 121.090 119.600 -0.211 0.000 2.065 525 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 525 M C 2.887 179.131 176.300 -0.093 0.000 1.069 525 M CA 2.098 57.339 55.300 -0.098 0.000 1.110 525 M CB -0.122 32.459 32.600 -0.033 0.000 1.328 525 M HN 0.350 nan 8.290 nan 0.000 0.405 526 S N -1.738 113.894 115.700 -0.113 0.000 2.501 526 S HA 0.026 4.496 4.470 -0.000 0.000 0.220 526 S C 0.754 175.299 174.600 -0.092 0.000 0.997 526 S CA -0.091 58.063 58.200 -0.076 0.000 0.919 526 S CB 0.129 63.302 63.200 -0.044 0.000 0.778 526 S HN 0.487 nan 8.310 nan 0.000 0.523 527 Q N 1.460 121.156 119.800 -0.174 0.000 2.470 527 Q HA -0.128 4.212 4.340 -0.000 0.000 0.294 527 Q C 0.025 175.998 176.000 -0.046 0.000 1.356 527 Q CA 1.344 57.079 55.803 -0.114 0.000 0.805 527 Q CB -2.590 26.134 28.738 -0.022 0.000 1.157 527 Q HN 0.960 nan 8.270 nan 0.000 0.431 528 T N -3.363 111.126 114.554 -0.108 0.000 2.865 528 T HA 0.851 5.201 4.350 -0.000 0.000 0.294 528 T C -0.287 174.395 174.700 -0.031 0.000 1.119 528 T CA 0.039 62.127 62.100 -0.020 0.000 1.007 528 T CB 2.770 71.627 68.868 -0.019 0.000 1.225 528 T HN 0.475 nan 8.240 nan 0.000 0.515 529 S N -0.205 115.511 115.700 0.026 0.000 2.537 529 S HA 0.841 5.311 4.470 -0.000 0.000 0.271 529 S C -0.798 173.762 174.600 -0.067 0.000 1.148 529 S CA -0.568 57.605 58.200 -0.046 0.000 0.868 529 S CB 1.243 64.492 63.200 0.082 0.000 1.115 529 S HN 1.699 nan 8.310 nan 0.000 0.461 530 A N 1.380 124.094 122.820 -0.177 0.000 2.485 530 A HA 0.970 5.290 4.320 -0.000 0.000 0.292 530 A C -0.477 176.997 177.584 -0.184 0.000 1.147 530 A CA -0.918 51.005 52.037 -0.189 0.000 0.750 530 A CB 1.674 20.503 19.000 -0.286 0.000 1.331 530 A HN 0.915 nan 8.150 nan 0.000 0.419 531 T N 0.742 115.131 114.554 -0.276 0.000 2.861 531 T HA 0.699 5.049 4.350 -0.000 0.000 0.287 531 T C -1.165 173.315 174.700 -0.368 0.000 1.003 531 T CA 0.094 62.187 62.100 -0.012 0.000 0.977 531 T CB 0.537 69.513 68.868 0.180 0.000 0.996 531 T HN 0.380 nan 8.240 nan 0.000 0.448 532 F N 0.660 120.679 119.950 0.115 0.000 2.740 532 F HA 0.561 5.088 4.527 -0.000 0.000 0.357 532 F C 0.608 176.442 175.800 0.057 0.000 1.141 532 F CA -1.121 56.909 58.000 0.051 0.000 1.044 532 F CB 1.492 40.479 39.000 -0.022 0.000 1.430 532 F HN 0.294 nan 8.300 nan 0.000 0.518 533 Q N 1.655 121.601 119.800 0.243 0.000 3.122 533 Q HA 0.414 4.754 4.340 -0.000 0.000 0.282 533 Q C -1.022 175.034 176.000 0.094 0.000 0.947 533 Q CA -0.152 55.733 55.803 0.136 0.000 0.812 533 Q CB 0.993 29.792 28.738 0.101 0.000 1.333 533 Q HN 0.437 nan 8.270 nan 0.000 0.430 534 L N 0.000 121.257 121.223 0.057 0.000 2.949 534 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 534 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 534 L CB 0.000 41.969 42.059 -0.149 0.000 0.961 534 L HN 0.000 nan 8.230 nan 0.000 0.502