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 2fvm_1_C DATA FIRST_RESID 2 DATA SEQUENCE PIYDLIIKNG IICTASDIYA AEIAVNNGKV QLIAASIDPS LGSEVIDAEG DATA SEQUENCE AFITPGGIDA HVHVDEPLKL LGDVVDTMEH ATRSAVAGGT TTVVAFSTQD DATA SEQUENCE VSKKGPSALA ESVKLDVDEY SEQTLYCDYG LHLILFQIEK PSVEARELLD DATA SEQUENCE VQLQAAYNDY GVSSVXMFMT YPGLQISDYD IMSAMYATRK NGFTTMLHAE DATA SEQUENCE NGDMVKWMIE ALEEQGLTDA YYHGVSRPSI VEGEATNRAI TLATTMDTPI DATA SEQUENCE LFVHVSSPQA AEVIKQAQTK GLKVYAETCP QYALLSDAIT RCXXXXXXXX DATA SEQUENCE XGVGIDLSSI SESPFTNPDD RFIGSKYICS PPIRPEGTQK SIWKGMNNGT DATA SEQUENCE FTIVGSDHCS YNYYEKTSTA SKHRAFDPEN NKNGEFRYIP NGLPGVCTRM DATA SEQUENCE PLLYDYGYLR GNLTSMMKLV EIQCTNPAKV YGMYPQKGSI LPGVSDADLV DATA SEQUENCE IWYPDDSKKE YNSKPKLITN KLMEHNCDYT PFEGIEIKNW PRYTIVKGKI DATA SEQUENCE VYKEGEILKE NADGKYLKRG KSFMCTPKNE WVTEWRPKYE 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.241 177.300 -0.098 0.000 1.155 2 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 2 P CB 0.000 31.690 31.700 -0.017 0.000 0.726 3 I N -3.895 116.561 120.570 -0.191 0.000 3.939 3 I HA 0.323 4.492 4.170 -0.000 0.000 0.313 3 I C -0.267 175.612 176.117 -0.397 0.000 1.274 3 I CA -0.025 61.067 61.300 -0.346 0.000 1.301 3 I CB 0.048 37.740 38.000 -0.512 0.000 1.105 3 I HN 0.156 nan 8.210 nan 0.000 0.427 4 Y N 1.675 121.969 120.300 -0.009 0.000 2.468 4 Y HA 0.385 4.935 4.550 -0.000 0.000 0.342 4 Y C 0.682 176.575 175.900 -0.011 0.000 1.021 4 Y CA -1.076 57.017 58.100 -0.011 0.000 1.079 4 Y CB 1.189 39.642 38.460 -0.013 0.000 1.226 4 Y HN -0.138 nan 8.280 nan 0.000 0.460 5 D N 1.005 121.501 120.400 0.160 0.000 2.149 5 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 5 D C -0.261 176.077 176.300 0.064 0.000 0.972 5 D CA 1.463 55.511 54.000 0.081 0.000 0.835 5 D CB 0.383 41.217 40.800 0.056 0.000 0.966 5 D HN 0.228 nan 8.370 nan 0.000 0.476 6 L N 0.024 121.283 121.223 0.060 0.000 2.513 6 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 6 L C -1.844 175.002 176.870 -0.040 0.000 0.945 6 L CA -0.575 54.266 54.840 0.002 0.000 0.848 6 L CB 2.153 44.199 42.059 -0.022 0.000 1.334 6 L HN -0.222 nan 8.230 nan 0.000 0.407 7 I N 5.499 126.036 120.570 -0.055 0.000 2.465 7 I HA 0.481 4.651 4.170 -0.000 0.000 0.291 7 I C -0.713 175.339 176.117 -0.109 0.000 1.014 7 I CA -0.536 60.708 61.300 -0.093 0.000 1.093 7 I CB 2.004 39.970 38.000 -0.056 0.000 1.267 7 I HN 0.480 nan 8.210 nan 0.000 0.431 8 I N 6.298 126.792 120.570 -0.126 0.000 2.330 8 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 8 I C -0.157 175.894 176.117 -0.110 0.000 1.001 8 I CA -0.507 60.711 61.300 -0.137 0.000 1.193 8 I CB 0.906 38.818 38.000 -0.146 0.000 1.345 8 I HN 0.479 nan 8.210 nan 0.000 0.461 9 K N 4.658 125.000 120.400 -0.097 0.000 2.221 9 K HA 0.449 4.769 4.320 -0.000 0.000 0.243 9 K C 0.160 176.722 176.600 -0.062 0.000 0.968 9 K CA -0.805 55.440 56.287 -0.069 0.000 0.846 9 K CB 1.029 33.499 32.500 -0.049 0.000 1.141 9 K HN 0.513 nan 8.250 nan 0.000 0.434 10 N N -0.612 118.060 118.700 -0.047 0.000 2.708 10 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 10 N C -0.274 175.208 175.510 -0.048 0.000 1.123 10 N CA 1.258 54.285 53.050 -0.038 0.000 0.739 10 N CB -1.482 36.992 38.487 -0.022 0.000 1.113 10 N HN 0.816 nan 8.380 nan 0.000 0.561 11 G N -0.498 108.265 108.800 -0.063 0.000 2.509 11 G HA2 0.767 4.727 3.960 -0.000 0.000 0.328 11 G HA3 0.767 4.727 3.960 -0.000 0.000 0.328 11 G C -0.154 174.704 174.900 -0.069 0.000 1.194 11 G CA -0.701 44.362 45.100 -0.062 0.000 0.967 11 G HN 0.169 nan 8.290 nan 0.000 0.488 12 I N 1.113 121.661 120.570 -0.037 0.000 2.354 12 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 12 I C -0.261 175.883 176.117 0.045 0.000 1.007 12 I CA -0.423 60.878 61.300 0.002 0.000 1.167 12 I CB 1.627 39.660 38.000 0.055 0.000 1.320 12 I HN 0.178 nan 8.210 nan 0.000 0.458 13 I N 5.571 126.035 120.570 -0.177 0.000 2.471 13 I HA 0.070 4.240 4.170 -0.000 0.000 0.286 13 I C 0.125 176.199 176.117 -0.071 0.000 1.079 13 I CA 0.160 61.339 61.300 -0.202 0.000 1.398 13 I CB 0.903 38.591 38.000 -0.519 0.000 1.403 13 I HN 0.584 nan 8.210 nan 0.000 0.530 14 C N 6.688 125.983 119.300 -0.008 0.000 2.345 14 C HA 0.730 5.190 4.460 -0.000 0.000 0.323 14 C C 0.561 175.549 174.990 -0.004 0.000 1.276 14 C CA -0.121 58.871 59.018 -0.043 0.000 1.543 14 C CB 0.435 28.049 27.740 -0.211 0.000 2.211 14 C HN 0.939 nan 8.230 nan 0.000 0.493 15 T N 2.085 116.654 114.554 0.025 0.000 2.807 15 T HA 0.631 4.981 4.350 -0.000 0.000 0.277 15 T C 1.064 175.766 174.700 0.004 0.000 1.006 15 T CA 0.106 62.230 62.100 0.040 0.000 1.006 15 T CB 1.301 70.223 68.868 0.090 0.000 1.274 15 T HN 0.992 nan 8.240 nan 0.000 0.569 16 A N 0.281 123.109 122.820 0.015 0.000 2.172 16 A HA 0.161 4.480 4.320 -0.000 0.000 0.216 16 A C 2.024 179.602 177.584 -0.010 0.000 1.154 16 A CA 1.609 53.644 52.037 -0.004 0.000 0.701 16 A CB -1.003 17.998 19.000 0.002 0.000 0.789 16 A HN 1.346 nan 8.150 nan 0.000 0.465 17 S N -2.602 113.099 115.700 0.002 0.000 2.817 17 S HA 0.259 4.729 4.470 -0.000 0.000 0.262 17 S C -0.496 174.105 174.600 0.001 0.000 1.051 17 S CA -0.377 57.821 58.200 -0.004 0.000 1.185 17 S CB 0.426 63.623 63.200 -0.005 0.000 1.152 17 S HN 0.278 nan 8.310 nan 0.000 0.653 18 D N 0.956 121.372 120.400 0.027 0.000 2.753 18 D HA 0.506 5.146 4.640 -0.000 0.000 0.224 18 D C -1.317 175.063 176.300 0.132 0.000 1.213 18 D CA -0.303 53.736 54.000 0.066 0.000 0.833 18 D CB 2.248 43.085 40.800 0.062 0.000 1.607 18 D HN 0.228 nan 8.370 nan 0.000 0.463 19 I N 2.311 122.979 120.570 0.163 0.000 2.478 19 I HA 0.417 4.587 4.170 -0.000 0.000 0.287 19 I C -1.152 175.162 176.117 0.329 0.000 1.042 19 I CA -0.863 60.546 61.300 0.182 0.000 1.067 19 I CB 1.524 39.559 38.000 0.058 0.000 1.233 19 I HN 0.376 nan 8.210 nan 0.000 0.431 20 Y N 3.855 124.189 120.300 0.057 0.000 2.641 20 Y HA 0.761 5.311 4.550 -0.000 0.000 0.333 20 Y C -1.104 174.831 175.900 0.058 0.000 1.174 20 Y CA -1.446 56.685 58.100 0.052 0.000 1.057 20 Y CB 1.090 39.567 38.460 0.029 0.000 1.322 20 Y HN 0.528 nan 8.280 nan 0.000 0.457 21 A N 2.078 124.929 122.820 0.051 0.000 2.347 21 A HA 0.829 5.149 4.320 -0.000 0.000 0.287 21 A C -0.134 177.411 177.584 -0.065 0.000 1.199 21 A CA 0.539 52.551 52.037 -0.043 0.000 0.851 21 A CB -0.695 18.315 19.000 0.017 0.000 1.118 21 A HN 1.733 nan 8.150 nan 0.000 0.525 22 A N 2.935 125.643 122.820 -0.186 0.000 2.581 22 A HA 0.760 5.080 4.320 -0.000 0.000 0.290 22 A C -0.872 176.639 177.584 -0.121 0.000 1.119 22 A CA -0.726 51.243 52.037 -0.114 0.000 0.670 22 A CB 0.894 19.838 19.000 -0.093 0.000 1.280 22 A HN 0.715 nan 8.150 nan 0.000 0.425 23 E N -0.216 119.938 120.200 -0.077 0.000 2.227 23 E HA 0.659 5.009 4.350 -0.000 0.000 0.268 23 E C -1.387 175.155 176.600 -0.097 0.000 0.907 23 E CA -0.558 55.791 56.400 -0.084 0.000 0.786 23 E CB 2.370 32.032 29.700 -0.063 0.000 1.191 23 E HN 0.482 nan 8.360 nan 0.000 0.411 24 I N 1.454 121.953 120.570 -0.118 0.000 2.465 24 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 24 I C -0.508 175.492 176.117 -0.196 0.000 1.014 24 I CA -0.749 60.469 61.300 -0.137 0.000 1.093 24 I CB 1.912 39.844 38.000 -0.112 0.000 1.267 24 I HN 0.474 nan 8.210 nan 0.000 0.431 25 A N 6.021 128.664 122.820 -0.294 0.000 2.324 25 A HA 0.871 5.190 4.320 -0.000 0.000 0.330 25 A C -0.815 176.566 177.584 -0.338 0.000 1.165 25 A CA -0.521 51.224 52.037 -0.486 0.000 0.813 25 A CB 1.386 19.695 19.000 -1.152 0.000 1.197 25 A HN 0.453 nan 8.150 nan 0.000 0.484 26 V N 2.844 122.630 119.914 -0.214 0.000 2.656 26 V HA 0.570 4.690 4.120 -0.000 0.000 0.307 26 V C -0.287 175.832 176.094 0.041 0.000 1.051 26 V CA -0.727 61.530 62.300 -0.071 0.000 0.893 26 V CB 1.940 33.733 31.823 -0.050 0.000 0.999 26 V HN 0.994 nan 8.190 nan 0.000 0.426 27 N N 2.891 121.634 118.700 0.071 0.000 2.367 27 N HA 0.255 4.995 4.740 -0.000 0.000 0.278 27 N C -0.728 174.817 175.510 0.057 0.000 1.117 27 N CA -0.539 52.577 53.050 0.109 0.000 0.867 27 N CB 1.614 40.227 38.487 0.210 0.000 1.649 27 N HN 0.686 nan 8.380 nan 0.000 0.479 28 N N 1.423 120.148 118.700 0.041 0.000 2.727 28 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 28 N C 0.739 176.256 175.510 0.012 0.000 1.048 28 N CA 1.760 54.823 53.050 0.022 0.000 0.714 28 N CB -1.419 37.079 38.487 0.019 0.000 0.959 28 N HN 1.002 nan 8.380 nan 0.000 0.544 29 G N -1.955 106.852 108.800 0.011 0.000 2.179 29 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 29 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 29 G C 0.039 174.936 174.900 -0.005 0.000 0.977 29 G CA 0.910 46.012 45.100 0.002 0.000 0.641 29 G HN 0.573 nan 8.290 nan 0.000 0.533 30 K N -0.488 119.910 120.400 -0.002 0.000 2.435 30 K HA 0.616 4.936 4.320 -0.000 0.000 0.251 30 K C 0.158 176.748 176.600 -0.016 0.000 0.954 30 K CA -1.018 55.263 56.287 -0.011 0.000 0.820 30 K CB 2.840 35.333 32.500 -0.011 0.000 1.292 30 K HN 0.032 nan 8.250 nan 0.000 0.436 31 V N 3.284 123.181 119.914 -0.027 0.000 2.540 31 V HA -0.059 4.061 4.120 -0.000 0.000 0.297 31 V C 0.736 176.809 176.094 -0.034 0.000 1.024 31 V CA 0.522 62.797 62.300 -0.041 0.000 1.105 31 V CB 0.910 32.711 31.823 -0.036 0.000 0.938 31 V HN 0.744 nan 8.190 nan 0.000 0.482 32 Q N 3.145 122.911 119.800 -0.057 0.000 2.391 32 Q HA 0.429 4.769 4.340 -0.000 0.000 0.243 32 Q C -0.151 175.824 176.000 -0.041 0.000 0.874 32 Q CA 0.264 56.054 55.803 -0.022 0.000 0.950 32 Q CB 1.211 29.982 28.738 0.055 0.000 1.103 32 Q HN 0.673 nan 8.270 nan 0.000 0.544 33 L N 0.091 121.250 121.223 -0.106 0.000 2.592 33 L HA 0.469 4.809 4.340 -0.000 0.000 0.258 33 L C -1.833 174.984 176.870 -0.088 0.000 0.926 33 L CA -0.290 54.496 54.840 -0.091 0.000 0.885 33 L CB 2.013 43.986 42.059 -0.143 0.000 1.380 33 L HN -0.096 nan 8.230 nan 0.000 0.415 34 I N 4.019 124.572 120.570 -0.030 0.000 2.406 34 I HA 0.887 5.057 4.170 -0.000 0.000 0.290 34 I C -0.277 175.850 176.117 0.017 0.000 0.999 34 I CA -0.384 60.914 61.300 -0.002 0.000 1.124 34 I CB 1.831 39.869 38.000 0.062 0.000 1.289 34 I HN 0.749 nan 8.210 nan 0.000 0.441 35 A N 3.838 126.664 122.820 0.009 0.000 2.610 35 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 35 A C 0.374 177.973 177.584 0.025 0.000 1.086 35 A CA 0.032 52.084 52.037 0.025 0.000 0.677 35 A CB 1.047 20.054 19.000 0.012 0.000 1.278 35 A HN 0.776 nan 8.150 nan 0.000 0.414 36 A N 0.327 123.169 122.820 0.036 0.000 1.892 36 A HA 0.272 4.592 4.320 -0.000 0.000 0.218 36 A C 1.310 178.901 177.584 0.012 0.000 1.188 36 A CA 2.482 54.539 52.037 0.033 0.000 0.631 36 A CB -0.466 18.555 19.000 0.035 0.000 0.822 36 A HN 2.317 nan 8.150 nan 0.000 0.447 37 S N -1.432 114.274 115.700 0.009 0.000 2.668 37 S HA 0.613 5.083 4.470 -0.000 0.000 0.277 37 S C -1.158 173.445 174.600 0.005 0.000 1.170 37 S CA -0.721 57.481 58.200 0.003 0.000 0.994 37 S CB 0.673 63.878 63.200 0.009 0.000 1.051 37 S HN 0.268 nan 8.310 nan 0.000 0.484 38 I N 3.338 123.907 120.570 -0.002 0.000 2.406 38 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 38 I C -0.149 175.983 176.117 0.025 0.000 0.999 38 I CA -0.718 60.590 61.300 0.012 0.000 1.124 38 I CB 1.588 39.578 38.000 -0.018 0.000 1.289 38 I HN 0.637 nan 8.210 nan 0.000 0.441 39 D N 9.446 129.872 120.400 0.043 0.000 2.570 39 D HA -0.035 4.605 4.640 -0.000 0.000 0.243 39 D C -1.261 175.066 176.300 0.046 0.000 1.171 39 D CA -1.272 52.752 54.000 0.041 0.000 0.879 39 D CB 1.106 41.933 40.800 0.045 0.000 1.143 39 D HN 0.281 nan 8.370 nan 0.000 0.511 40 P HA -0.177 nan 4.420 nan 0.000 0.219 40 P C 1.122 178.442 177.300 0.034 0.000 1.146 40 P CA 0.966 64.082 63.100 0.026 0.000 0.808 40 P CB -0.009 31.700 31.700 0.014 0.000 0.779 41 S N -0.956 114.763 115.700 0.031 0.000 2.555 41 S HA -0.002 4.468 4.470 -0.000 0.000 0.230 41 S C 1.785 176.403 174.600 0.031 0.000 0.978 41 S CA 0.322 58.537 58.200 0.025 0.000 0.934 41 S CB -1.327 61.883 63.200 0.016 0.000 0.766 41 S HN 0.116 nan 8.310 nan 0.000 0.533 42 L N 0.910 122.169 121.223 0.059 0.000 2.558 42 L HA 0.339 4.679 4.340 -0.000 0.000 0.225 42 L C 1.275 178.218 176.870 0.122 0.000 1.128 42 L CA 0.075 54.959 54.840 0.072 0.000 0.868 42 L CB -0.328 41.812 42.059 0.136 0.000 1.006 42 L HN 0.457 nan 8.230 nan 0.000 0.454 43 G N -1.671 107.197 108.800 0.115 0.000 2.452 43 G HA2 0.360 4.320 3.960 -0.000 0.000 0.324 43 G HA3 0.360 4.320 3.960 -0.000 0.000 0.324 43 G C 0.360 175.294 174.900 0.058 0.000 1.214 43 G CA -0.278 44.892 45.100 0.116 0.000 0.947 43 G HN -0.084 nan 8.290 nan 0.000 0.478 44 S N 0.301 116.032 115.700 0.052 0.000 2.406 44 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 44 S C 0.744 175.359 174.600 0.025 0.000 1.020 44 S CA 0.921 59.140 58.200 0.031 0.000 0.965 44 S CB 0.093 63.310 63.200 0.028 0.000 0.798 44 S HN 0.660 nan 8.310 nan 0.000 0.488 45 E N 0.344 120.559 120.200 0.024 0.000 2.272 45 E HA 0.513 4.863 4.350 -0.000 0.000 0.269 45 E C -1.791 174.805 176.600 -0.006 0.000 0.877 45 E CA -0.408 55.999 56.400 0.011 0.000 0.755 45 E CB 2.068 31.775 29.700 0.011 0.000 1.192 45 E HN -0.101 nan 8.360 nan 0.000 0.422 46 V N 5.229 125.133 119.914 -0.016 0.000 2.448 46 V HA 0.454 4.574 4.120 -0.000 0.000 0.295 46 V C -0.293 175.757 176.094 -0.073 0.000 1.025 46 V CA -0.633 61.643 62.300 -0.039 0.000 0.859 46 V CB 1.461 33.272 31.823 -0.019 0.000 0.988 46 V HN 0.617 nan 8.190 nan 0.000 0.431 47 I N 3.489 123.976 120.570 -0.137 0.000 2.362 47 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 47 I C -0.521 175.492 176.117 -0.173 0.000 0.994 47 I CA -0.404 60.756 61.300 -0.233 0.000 1.158 47 I CB 1.702 39.412 38.000 -0.484 0.000 1.315 47 I HN 0.529 nan 8.210 nan 0.000 0.451 48 D N 5.527 125.863 120.400 -0.107 0.000 2.365 48 D HA 0.301 4.941 4.640 -0.000 0.000 0.237 48 D C 0.785 177.049 176.300 -0.059 0.000 1.190 48 D CA -0.153 53.813 54.000 -0.057 0.000 0.867 48 D CB 1.788 42.586 40.800 -0.004 0.000 1.050 48 D HN 0.646 nan 8.370 nan 0.000 0.491 49 A N 3.861 126.636 122.820 -0.075 0.000 2.167 49 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 49 A C 0.876 178.451 177.584 -0.015 0.000 1.151 49 A CA 0.415 52.414 52.037 -0.064 0.000 0.735 49 A CB -0.465 18.491 19.000 -0.073 0.000 0.802 49 A HN 0.797 nan 8.150 nan 0.000 0.467 50 E N -2.574 117.631 120.200 0.008 0.000 2.360 50 E HA -0.251 4.099 4.350 -0.000 0.000 0.238 50 E C 0.852 177.463 176.600 0.019 0.000 1.186 50 E CA 0.408 56.833 56.400 0.043 0.000 0.719 50 E CB -2.010 27.763 29.700 0.122 0.000 1.236 50 E HN 1.468 nan 8.360 nan 0.000 0.386 51 G N -1.638 107.148 108.800 -0.024 0.000 2.179 51 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 51 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 51 G C 0.437 175.249 174.900 -0.147 0.000 0.977 51 G CA 0.298 45.357 45.100 -0.069 0.000 0.641 51 G HN 0.984 nan 8.290 nan 0.000 0.533 52 A N -0.332 122.430 122.820 -0.097 0.000 2.366 52 A HA 0.682 5.002 4.320 -0.000 0.000 0.249 52 A C 0.330 177.852 177.584 -0.102 0.000 1.084 52 A CA -0.174 51.801 52.037 -0.103 0.000 0.794 52 A CB 0.241 19.255 19.000 0.023 0.000 1.034 52 A HN 0.639 nan 8.150 nan 0.000 0.491 53 F N -0.233 119.804 119.950 0.145 0.000 2.471 53 F HA 0.337 4.864 4.527 -0.000 0.000 0.353 53 F C 0.435 176.359 175.800 0.207 0.000 1.113 53 F CA 0.406 58.473 58.000 0.112 0.000 1.262 53 F CB 0.619 39.638 39.000 0.031 0.000 1.146 53 F HN 0.254 nan 8.300 nan 0.000 0.578 54 I N 2.315 123.078 120.570 0.322 0.000 2.362 54 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 54 I C -0.102 176.141 176.117 0.209 0.000 0.994 54 I CA -0.439 60.994 61.300 0.222 0.000 1.158 54 I CB 1.659 39.697 38.000 0.064 0.000 1.315 54 I HN 0.598 nan 8.210 nan 0.000 0.451 55 T N 3.281 117.998 114.554 0.272 0.000 2.932 55 T HA 0.625 4.975 4.350 -0.000 0.000 0.289 55 T C -2.771 172.007 174.700 0.130 0.000 1.039 55 T CA -2.513 59.708 62.100 0.201 0.000 1.024 55 T CB 1.896 70.951 68.868 0.312 0.000 1.090 55 T HN 0.101 nan 8.240 nan 0.000 0.496 56 P HA 0.280 nan 4.420 nan 0.000 0.270 56 P C 0.596 177.938 177.300 0.071 0.000 1.223 56 P CA -0.026 63.114 63.100 0.066 0.000 0.785 56 P CB -0.010 31.729 31.700 0.065 0.000 0.923 57 G N 1.022 109.844 108.800 0.037 0.000 2.491 57 G HA2 0.371 4.331 3.960 -0.000 0.000 0.238 57 G HA3 0.371 4.331 3.960 -0.000 0.000 0.238 57 G C 0.439 175.360 174.900 0.035 0.000 1.277 57 G CA -0.105 45.005 45.100 0.018 0.000 0.851 57 G HN 0.602 nan 8.290 nan 0.000 0.573 58 G N -0.485 108.332 108.800 0.028 0.000 2.491 58 G HA2 0.442 4.402 3.960 -0.000 0.000 0.242 58 G HA3 0.442 4.402 3.960 -0.000 0.000 0.242 58 G C -0.271 174.645 174.900 0.027 0.000 1.266 58 G CA -0.516 44.608 45.100 0.039 0.000 0.844 58 G HN 0.625 nan 8.290 nan 0.000 0.571 59 I N 1.448 122.045 120.570 0.043 0.000 2.411 59 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 59 I C -1.035 175.120 176.117 0.064 0.000 1.012 59 I CA -0.650 60.678 61.300 0.046 0.000 1.119 59 I CB 2.032 40.067 38.000 0.057 0.000 1.261 59 I HN 0.292 nan 8.210 nan 0.000 0.448 60 D N 5.712 126.142 120.400 0.051 0.000 2.443 60 D HA 0.407 5.047 4.640 -0.000 0.000 0.221 60 D C 0.491 176.842 176.300 0.085 0.000 1.097 60 D CA -0.256 53.791 54.000 0.078 0.000 0.865 60 D CB 1.814 42.646 40.800 0.053 0.000 1.034 60 D HN 0.614 nan 8.370 nan 0.000 0.511 61 A N 3.719 126.625 122.820 0.142 0.000 2.370 61 A HA 0.046 4.366 4.320 -0.000 0.000 0.238 61 A C 0.476 178.166 177.584 0.176 0.000 1.289 61 A CA -0.058 52.044 52.037 0.109 0.000 0.885 61 A CB -0.410 18.710 19.000 0.199 0.000 0.961 61 A HN 0.702 nan 8.150 nan 0.000 0.499 62 H N -0.638 118.509 119.070 0.129 0.000 2.429 62 H HA 0.513 5.069 4.556 -0.000 0.000 0.231 62 H C -1.757 173.686 175.328 0.190 0.000 1.416 62 H CA -0.330 55.854 56.048 0.227 0.000 1.443 62 H CB 0.671 30.589 29.762 0.260 0.000 1.591 62 H HN 0.055 nan 8.280 nan 0.000 0.507 63 V N 3.711 123.811 119.914 0.309 0.000 2.604 63 V HA 0.250 4.370 4.120 -0.000 0.000 0.305 63 V C -0.371 175.828 176.094 0.175 0.000 1.043 63 V CA -0.813 61.626 62.300 0.232 0.000 0.888 63 V CB 1.732 33.623 31.823 0.114 0.000 0.995 63 V HN 0.682 nan 8.190 nan 0.000 0.429 64 H N 3.133 122.464 119.070 0.436 0.000 2.481 64 H HA 0.672 5.227 4.556 -0.000 0.000 0.333 64 H C -0.791 174.667 175.328 0.218 0.000 1.066 64 H CA -0.345 55.902 56.048 0.331 0.000 1.209 64 H CB 2.249 32.138 29.762 0.212 0.000 1.445 64 H HN 0.365 nan 8.280 nan 0.000 0.488 65 V N 2.104 122.182 119.914 0.274 0.000 2.960 65 V HA 0.013 4.133 4.120 -0.000 0.000 0.315 65 V C 0.078 176.273 176.094 0.168 0.000 1.087 65 V CA -0.927 61.462 62.300 0.148 0.000 0.982 65 V CB 2.636 34.448 31.823 -0.019 0.000 1.039 65 V HN 0.713 nan 8.190 nan 0.000 0.437 66 D N 2.291 122.769 120.400 0.131 0.000 2.487 66 D HA 0.284 4.924 4.640 -0.000 0.000 0.243 66 D C -0.227 176.207 176.300 0.224 0.000 1.154 66 D CA 0.425 54.512 54.000 0.145 0.000 0.876 66 D CB 0.566 41.439 40.800 0.121 0.000 1.161 66 D HN 0.720 nan 8.370 nan 0.000 0.478 67 E N 2.326 122.635 120.200 0.181 0.000 2.369 67 E HA 0.492 4.842 4.350 -0.000 0.000 0.270 67 E C -2.363 174.285 176.600 0.079 0.000 0.909 67 E CA -1.606 54.887 56.400 0.156 0.000 0.775 67 E CB 1.147 30.959 29.700 0.187 0.000 1.270 67 E HN 0.039 nan 8.360 nan 0.000 0.445 68 P HA -0.052 nan 4.420 nan 0.000 0.220 68 P C 0.743 178.061 177.300 0.029 0.000 1.148 68 P CA 0.939 64.048 63.100 0.014 0.000 0.803 68 P CB 0.219 31.905 31.700 -0.024 0.000 0.782 69 L N -0.943 120.307 121.223 0.044 0.000 2.492 69 L HA 0.073 4.413 4.340 -0.000 0.000 0.223 69 L C 0.496 177.390 176.870 0.040 0.000 1.132 69 L CA 0.317 55.187 54.840 0.050 0.000 0.850 69 L CB -0.637 41.469 42.059 0.077 0.000 0.966 69 L HN 0.005 nan 8.230 nan 0.000 0.454 70 K N 0.005 120.433 120.400 0.046 0.000 3.148 70 K HA -0.234 4.086 4.320 -0.000 0.000 0.267 70 K C 1.028 177.628 176.600 0.001 0.000 0.996 70 K CA 0.254 56.562 56.287 0.035 0.000 0.737 70 K CB -1.685 30.833 32.500 0.029 0.000 1.308 70 K HN 0.173 nan 8.250 nan 0.000 0.470 71 L N 0.193 121.413 121.223 -0.005 0.000 2.079 71 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 71 L C 1.430 178.225 176.870 -0.124 0.000 1.081 71 L CA 1.843 56.631 54.840 -0.087 0.000 0.752 71 L CB 0.030 42.042 42.059 -0.079 0.000 0.896 71 L HN 0.464 nan 8.230 nan 0.000 0.433 72 L N -0.071 121.117 121.223 -0.059 0.000 2.912 72 L HA 0.406 4.746 4.340 -0.000 0.000 0.240 72 L C 1.043 177.950 176.870 0.061 0.000 1.262 72 L CA -0.124 54.688 54.840 -0.047 0.000 1.058 72 L CB -1.120 40.920 42.059 -0.032 0.000 1.383 72 L HN 0.420 nan 8.230 nan 0.000 0.512 73 G N 0.353 109.166 108.800 0.021 0.000 2.641 73 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 73 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 73 G C -0.412 174.553 174.900 0.109 0.000 1.315 73 G CA -0.606 44.529 45.100 0.058 0.000 0.907 73 G HN 0.335 nan 8.290 nan 0.000 0.572 74 D N 0.136 120.610 120.400 0.123 0.000 2.348 74 D HA 0.396 5.036 4.640 -0.000 0.000 0.253 74 D C 0.397 176.782 176.300 0.142 0.000 1.161 74 D CA 0.187 54.257 54.000 0.116 0.000 0.876 74 D CB 1.603 42.459 40.800 0.095 0.000 1.160 74 D HN 0.331 nan 8.370 nan 0.000 0.459 75 V N 2.615 122.550 119.914 0.034 0.000 2.547 75 V HA 0.035 4.154 4.120 -0.000 0.000 0.299 75 V C 1.618 177.667 176.094 -0.075 0.000 1.040 75 V CA -0.635 61.579 62.300 -0.143 0.000 0.913 75 V CB 1.904 33.630 31.823 -0.161 0.000 0.992 75 V HN 0.468 nan 8.190 nan 0.000 0.449 76 V N -0.135 119.697 119.914 -0.137 0.000 2.515 76 V HA 0.014 4.134 4.120 -0.000 0.000 0.250 76 V C 0.595 176.670 176.094 -0.031 0.000 1.058 76 V CA 1.091 63.345 62.300 -0.075 0.000 1.064 76 V CB -0.448 31.307 31.823 -0.112 0.000 0.675 76 V HN 0.779 nan 8.190 nan 0.000 0.461 77 D N 2.390 122.788 120.400 -0.003 0.000 2.277 77 D HA 0.430 5.070 4.640 -0.000 0.000 0.249 77 D C 0.743 177.157 176.300 0.190 0.000 1.134 77 D CA 0.537 54.627 54.000 0.151 0.000 0.863 77 D CB 1.623 42.540 40.800 0.194 0.000 1.143 77 D HN 0.675 nan 8.370 nan 0.000 0.458 78 T N -0.539 114.199 114.554 0.306 0.000 2.770 78 T HA 0.118 4.468 4.350 -0.000 0.000 0.281 78 T C 1.345 175.971 174.700 -0.123 0.000 0.981 78 T CA -0.627 61.502 62.100 0.049 0.000 0.955 78 T CB 0.717 69.547 68.868 -0.064 0.000 1.060 78 T HN 0.138 nan 8.240 nan 0.000 0.531 79 M N 0.245 119.610 119.600 -0.391 0.000 2.159 79 M HA -0.009 4.471 4.480 -0.000 0.000 0.263 79 M C 2.253 178.391 176.300 -0.270 0.000 1.063 79 M CA 1.687 56.655 55.300 -0.553 0.000 1.110 79 M CB -1.126 30.761 32.600 -1.188 0.000 1.374 79 M HN 0.928 nan 8.290 nan 0.000 0.411 80 E N -1.043 119.026 120.200 -0.219 0.000 2.049 80 E HA -0.287 4.063 4.350 -0.000 0.000 0.198 80 E C 1.831 178.427 176.600 -0.007 0.000 1.007 80 E CA 2.189 58.527 56.400 -0.103 0.000 0.809 80 E CB -0.286 29.290 29.700 -0.206 0.000 0.749 80 E HN 0.753 nan 8.360 nan 0.000 0.450 81 H N -0.446 118.655 119.070 0.052 0.000 2.353 81 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 81 H C 2.064 177.393 175.328 0.002 0.000 1.090 81 H CA 1.142 57.215 56.048 0.041 0.000 1.327 81 H CB -0.079 29.713 29.762 0.050 0.000 1.383 81 H HN 0.320 nan 8.280 nan 0.000 0.508 82 A N 0.623 123.492 122.820 0.082 0.000 1.898 82 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 82 A C 2.508 180.041 177.584 -0.085 0.000 1.181 82 A CA 2.016 54.026 52.037 -0.045 0.000 0.620 82 A CB -1.076 17.873 19.000 -0.085 0.000 0.819 82 A HN 0.596 nan 8.150 nan 0.000 0.442 83 T N -2.063 112.469 114.554 -0.036 0.000 2.821 83 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 83 T C 1.987 176.678 174.700 -0.015 0.000 1.046 83 T CA 1.326 63.433 62.100 0.011 0.000 1.139 83 T CB -0.349 68.573 68.868 0.089 0.000 0.871 83 T HN 0.495 nan 8.240 nan 0.000 0.454 84 R N 0.758 121.196 120.500 -0.103 0.000 2.083 84 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 84 R C 2.798 178.926 176.300 -0.286 0.000 1.137 84 R CA 1.724 57.514 56.100 -0.516 0.000 0.951 84 R CB -0.740 29.146 30.300 -0.689 0.000 0.851 84 R HN 0.430 nan 8.270 nan 0.000 0.434 85 S N -0.432 115.176 115.700 -0.154 0.000 2.368 85 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 85 S C 1.910 176.411 174.600 -0.165 0.000 1.030 85 S CA 1.155 59.280 58.200 -0.125 0.000 0.999 85 S CB -0.276 62.898 63.200 -0.043 0.000 0.844 85 S HN 0.549 nan 8.310 nan 0.000 0.459 86 A N 0.884 123.607 122.820 -0.162 0.000 1.865 86 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 86 A C 2.336 179.803 177.584 -0.193 0.000 1.191 86 A CA 2.032 53.975 52.037 -0.157 0.000 0.623 86 A CB -1.240 17.691 19.000 -0.115 0.000 0.826 86 A HN 0.433 nan 8.150 nan 0.000 0.444 87 V N -0.138 119.666 119.914 -0.184 0.000 2.332 87 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 87 V C 2.998 178.826 176.094 -0.443 0.000 1.055 87 V CA 1.951 64.125 62.300 -0.210 0.000 1.038 87 V CB -1.190 30.582 31.823 -0.086 0.000 0.651 87 V HN 0.634 nan 8.190 nan 0.000 0.450 88 A N -0.014 122.475 122.820 -0.552 0.000 2.125 88 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 88 A C 2.038 179.209 177.584 -0.688 0.000 1.156 88 A CA 1.623 53.046 52.037 -1.023 0.000 0.671 88 A CB -0.570 18.142 19.000 -0.481 0.000 0.794 88 A HN 0.598 nan 8.150 nan 0.000 0.459 89 G N -2.631 105.886 108.800 -0.473 0.000 3.453 89 G HA2 0.415 4.375 3.960 -0.000 0.000 0.263 89 G HA3 0.415 4.375 3.960 -0.000 0.000 0.263 89 G C 0.967 175.536 174.900 -0.552 0.000 1.060 89 G CA 0.400 45.175 45.100 -0.542 0.000 0.793 89 G HN 1.496 nan 8.290 nan 0.000 0.532 90 G N -0.295 108.211 108.800 -0.489 0.000 2.143 90 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.249 90 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.249 90 G C 0.263 175.042 174.900 -0.202 0.000 0.981 90 G CA 0.366 45.229 45.100 -0.395 0.000 0.665 90 G HN 0.583 nan 8.290 nan 0.000 0.528 91 T N 0.914 115.367 114.554 -0.168 0.000 2.767 91 T HA 0.545 4.894 4.350 -0.000 0.000 0.288 91 T C 1.320 175.978 174.700 -0.069 0.000 0.963 91 T CA 0.503 62.551 62.100 -0.088 0.000 1.019 91 T CB 1.415 70.237 68.868 -0.075 0.000 0.923 91 T HN 0.641 nan 8.240 nan 0.000 0.468 92 T N -0.835 113.698 114.554 -0.035 0.000 3.040 92 T HA 0.271 4.621 4.350 -0.000 0.000 0.266 92 T C 0.446 175.145 174.700 -0.003 0.000 1.005 92 T CA -0.261 61.829 62.100 -0.017 0.000 0.906 92 T CB 0.345 69.206 68.868 -0.012 0.000 1.082 92 T HN 0.489 nan 8.240 nan 0.000 0.531 93 T N 2.298 116.850 114.554 -0.004 0.000 2.952 93 T HA 0.649 4.999 4.350 -0.000 0.000 0.305 93 T C -0.877 173.821 174.700 -0.003 0.000 1.064 93 T CA -0.686 61.412 62.100 -0.003 0.000 1.008 93 T CB 2.213 71.074 68.868 -0.013 0.000 1.078 93 T HN 0.425 nan 8.240 nan 0.000 0.459 94 V N 0.332 120.249 119.914 0.004 0.000 2.769 94 V HA 0.969 5.089 4.120 -0.000 0.000 0.312 94 V C -0.902 175.172 176.094 -0.033 0.000 1.061 94 V CA -0.910 61.385 62.300 -0.009 0.000 0.931 94 V CB 1.924 33.737 31.823 -0.016 0.000 1.010 94 V HN 0.641 nan 8.190 nan 0.000 0.433 95 V N 3.599 123.446 119.914 -0.113 0.000 2.407 95 V HA 0.873 4.993 4.120 -0.000 0.000 0.291 95 V C 0.648 176.542 176.094 -0.333 0.000 1.018 95 V CA 0.363 62.483 62.300 -0.300 0.000 0.842 95 V CB 0.595 32.059 31.823 -0.598 0.000 0.996 95 V HN 1.429 nan 8.190 nan 0.000 0.426 96 A N 4.472 127.153 122.820 -0.233 0.000 2.806 96 A HA 0.983 5.303 4.320 -0.000 0.000 0.254 96 A C -0.979 176.402 177.584 -0.339 0.000 1.437 96 A CA -0.405 51.548 52.037 -0.140 0.000 0.903 96 A CB 0.758 19.801 19.000 0.071 0.000 1.609 96 A HN 0.585 nan 8.150 nan 0.000 0.505 97 F N -0.584 119.461 119.950 0.157 0.000 2.529 97 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 97 F C 0.511 176.440 175.800 0.214 0.000 1.118 97 F CA -0.272 57.854 58.000 0.211 0.000 0.915 97 F CB 2.282 41.439 39.000 0.262 0.000 1.161 97 F HN 0.348 nan 8.300 nan 0.000 0.445 98 S N 1.834 117.740 115.700 0.343 0.000 2.438 98 S HA 0.406 4.876 4.470 -0.000 0.000 0.293 98 S C -0.325 174.444 174.600 0.281 0.000 1.141 98 S CA -0.433 57.915 58.200 0.247 0.000 1.080 98 S CB 0.362 63.650 63.200 0.147 0.000 0.978 98 S HN 0.601 nan 8.310 nan 0.000 0.479 99 T N 5.339 120.041 114.554 0.247 0.000 2.761 99 T HA 0.156 4.506 4.350 -0.000 0.000 0.296 99 T C 0.229 175.079 174.700 0.249 0.000 0.934 99 T CA -0.125 62.143 62.100 0.279 0.000 1.091 99 T CB 0.682 69.689 68.868 0.232 0.000 0.896 99 T HN 0.765 nan 8.240 nan 0.000 0.515 100 Q N 2.991 122.959 119.800 0.279 0.000 2.308 100 Q HA -0.087 4.253 4.340 -0.000 0.000 0.313 100 Q C -0.431 175.646 176.000 0.127 0.000 1.075 100 Q CA 0.135 56.013 55.803 0.123 0.000 0.995 100 Q CB 0.347 29.041 28.738 -0.074 0.000 1.107 100 Q HN 0.506 nan 8.270 nan 0.000 0.380 101 D N 4.071 124.512 120.400 0.068 0.000 2.428 101 D HA 0.058 4.698 4.640 -0.000 0.000 0.221 101 D C 0.899 177.215 176.300 0.027 0.000 1.123 101 D CA -0.433 53.611 54.000 0.073 0.000 0.869 101 D CB 1.122 41.955 40.800 0.055 0.000 1.032 101 D HN 0.453 nan 8.370 nan 0.000 0.506 102 V N 2.173 122.107 119.914 0.035 0.000 3.241 102 V HA -0.121 3.999 4.120 -0.000 0.000 0.269 102 V C 1.678 177.782 176.094 0.017 0.000 1.151 102 V CA 1.705 64.002 62.300 -0.005 0.000 1.158 102 V CB -0.937 30.898 31.823 0.019 0.000 0.764 102 V HN 0.493 nan 8.190 nan 0.000 0.508 103 S N -0.661 115.058 115.700 0.032 0.000 2.496 103 S HA 0.097 4.567 4.470 -0.000 0.000 0.224 103 S C 0.911 175.522 174.600 0.018 0.000 0.996 103 S CA -0.077 58.139 58.200 0.026 0.000 0.927 103 S CB -0.337 62.881 63.200 0.030 0.000 0.774 103 S HN 0.619 nan 8.310 nan 0.000 0.524 104 K N 1.946 122.355 120.400 0.016 0.000 2.201 104 K HA 0.497 4.817 4.320 -0.000 0.000 0.278 104 K C -0.228 176.378 176.600 0.009 0.000 1.027 104 K CA -0.308 55.988 56.287 0.015 0.000 0.909 104 K CB 0.975 33.487 32.500 0.019 0.000 1.062 104 K HN 0.089 nan 8.250 nan 0.000 0.465 105 K N 0.315 120.723 120.400 0.012 0.000 2.313 105 K HA 0.626 4.945 4.320 -0.000 0.000 0.235 105 K C 0.258 176.866 176.600 0.014 0.000 1.035 105 K CA -0.228 56.064 56.287 0.009 0.000 0.868 105 K CB 1.814 34.319 32.500 0.009 0.000 1.232 105 K HN 0.769 nan 8.250 nan 0.000 0.459 106 G N 1.113 109.920 108.800 0.012 0.000 2.741 106 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.222 106 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.222 106 G C -2.013 172.899 174.900 0.020 0.000 1.364 106 G CA -0.387 44.722 45.100 0.016 0.000 0.866 106 G HN 0.390 nan 8.290 nan 0.000 0.555 107 P HA -0.071 nan 4.420 nan 0.000 0.217 107 P C 1.995 179.318 177.300 0.039 0.000 1.148 107 P CA 2.679 65.796 63.100 0.028 0.000 0.828 107 P CB -0.115 31.601 31.700 0.027 0.000 0.783 108 S N -1.991 113.733 115.700 0.041 0.000 2.575 108 S HA 0.303 4.773 4.470 -0.000 0.000 0.215 108 S C 1.853 176.490 174.600 0.060 0.000 0.966 108 S CA 0.286 58.520 58.200 0.057 0.000 0.911 108 S CB -0.790 62.442 63.200 0.053 0.000 0.780 108 S HN 0.073 nan 8.310 nan 0.000 0.514 109 A N 2.379 125.225 122.820 0.044 0.000 1.948 109 A HA 0.029 4.349 4.320 -0.000 0.000 0.220 109 A C 2.129 179.739 177.584 0.044 0.000 1.177 109 A CA 1.538 53.596 52.037 0.035 0.000 0.636 109 A CB -0.719 18.291 19.000 0.017 0.000 0.815 109 A HN 0.597 nan 8.150 nan 0.000 0.449 110 L N -1.652 119.607 121.223 0.060 0.000 2.249 110 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 110 L C 2.999 179.933 176.870 0.106 0.000 1.090 110 L CA 0.662 55.550 54.840 0.080 0.000 0.802 110 L CB -0.494 41.619 42.059 0.090 0.000 0.947 110 L HN 0.394 nan 8.230 nan 0.000 0.453 111 A N 0.079 122.983 122.820 0.139 0.000 1.902 111 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 111 A C 2.151 179.820 177.584 0.141 0.000 1.181 111 A CA 1.344 53.511 52.037 0.216 0.000 0.623 111 A CB -0.300 18.855 19.000 0.258 0.000 0.818 111 A HN 0.312 nan 8.150 nan 0.000 0.443 112 E N 0.318 120.576 120.200 0.096 0.000 2.204 112 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 112 E C 2.227 178.818 176.600 -0.016 0.000 0.990 112 E CA 1.222 57.649 56.400 0.044 0.000 0.821 112 E CB -0.399 29.327 29.700 0.043 0.000 0.750 112 E HN 0.566 nan 8.360 nan 0.000 0.477 113 S N 0.357 116.055 115.700 -0.002 0.000 2.383 113 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 113 S C 2.218 176.773 174.600 -0.075 0.000 1.026 113 S CA 0.815 59.010 58.200 -0.007 0.000 0.981 113 S CB -0.010 63.216 63.200 0.045 0.000 0.818 113 S HN 0.071 nan 8.310 nan 0.000 0.472 114 V N 2.006 121.833 119.914 -0.145 0.000 2.427 114 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 114 V C 2.327 178.082 176.094 -0.565 0.000 1.051 114 V CA 1.602 63.709 62.300 -0.321 0.000 1.048 114 V CB -0.549 31.048 31.823 -0.377 0.000 0.666 114 V HN 0.431 nan 8.190 nan 0.000 0.456 115 K N 0.200 120.245 120.400 -0.592 0.000 2.063 115 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 115 K C 2.151 178.577 176.600 -0.289 0.000 1.048 115 K CA 1.552 57.551 56.287 -0.480 0.000 0.928 115 K CB -0.244 32.171 32.500 -0.141 0.000 0.713 115 K HN 0.389 nan 8.250 nan 0.000 0.442 116 L N 1.011 122.107 121.223 -0.212 0.000 2.013 116 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 116 L C 2.074 178.778 176.870 -0.276 0.000 1.073 116 L CA 1.598 56.332 54.840 -0.177 0.000 0.753 116 L CB -0.603 41.389 42.059 -0.112 0.000 0.890 116 L HN 0.367 nan 8.230 nan 0.000 0.432 117 D N -0.497 119.705 120.400 -0.330 0.000 2.091 117 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 117 D C 2.313 178.247 176.300 -0.611 0.000 0.980 117 D CA 1.108 54.785 54.000 -0.537 0.000 0.831 117 D CB -0.239 40.405 40.800 -0.261 0.000 0.987 117 D HN 0.129 nan 8.370 nan 0.000 0.460 118 V N 2.136 121.824 119.914 -0.378 0.000 2.282 118 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 118 V C 1.963 177.970 176.094 -0.146 0.000 1.057 118 V CA 1.911 64.065 62.300 -0.243 0.000 1.032 118 V CB -0.534 31.020 31.823 -0.449 0.000 0.645 118 V HN 0.029 nan 8.190 nan 0.000 0.447 119 D N -0.421 119.871 120.400 -0.180 0.000 2.123 119 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 119 D C 2.181 178.415 176.300 -0.110 0.000 0.992 119 D CA 1.587 55.525 54.000 -0.104 0.000 0.833 119 D CB -0.209 40.536 40.800 -0.091 0.000 0.954 119 D HN 0.575 nan 8.370 nan 0.000 0.455 120 E N -0.173 119.891 120.200 -0.227 0.000 2.077 120 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 120 E C 1.721 178.277 176.600 -0.073 0.000 0.989 120 E CA 1.180 57.450 56.400 -0.218 0.000 0.800 120 E CB -0.355 29.104 29.700 -0.402 0.000 0.746 120 E HN 0.530 nan 8.360 nan 0.000 0.452 121 Y N -0.052 120.233 120.300 -0.024 0.000 2.544 121 Y HA 0.012 4.562 4.550 -0.000 0.000 0.286 121 Y C 2.360 178.277 175.900 0.027 0.000 1.141 121 Y CA 0.164 58.239 58.100 -0.041 0.000 1.299 121 Y CB 0.100 38.464 38.460 -0.160 0.000 1.030 121 Y HN 0.143 nan 8.280 nan 0.000 0.543 122 S N -0.302 115.494 115.700 0.160 0.000 2.507 122 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 122 S C 1.254 175.901 174.600 0.078 0.000 0.988 122 S CA 0.854 59.129 58.200 0.125 0.000 0.944 122 S CB -0.061 63.189 63.200 0.083 0.000 0.762 122 S HN 0.364 nan 8.310 nan 0.000 0.526 123 E N 0.950 121.189 120.200 0.064 0.000 2.460 123 E HA 0.198 4.548 4.350 -0.000 0.000 0.200 123 E C 0.281 176.897 176.600 0.027 0.000 1.011 123 E CA 0.131 56.553 56.400 0.037 0.000 0.912 123 E CB 0.109 29.825 29.700 0.027 0.000 0.953 123 E HN 0.737 nan 8.360 nan 0.000 0.494 124 Q N 0.711 120.534 119.800 0.038 0.000 2.260 124 Q HA 0.250 4.590 4.340 -0.000 0.000 0.238 124 Q C -0.291 175.687 176.000 -0.036 0.000 0.948 124 Q CA -0.060 55.742 55.803 -0.003 0.000 0.895 124 Q CB 0.881 29.613 28.738 -0.011 0.000 1.218 124 Q HN -0.164 nan 8.270 nan 0.000 0.470 125 T N 2.526 117.028 114.554 -0.086 0.000 2.752 125 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 125 T C -0.229 174.331 174.700 -0.234 0.000 0.923 125 T CA -0.153 61.837 62.100 -0.183 0.000 1.112 125 T CB -0.088 68.630 68.868 -0.249 0.000 0.884 125 T HN 0.245 nan 8.240 nan 0.000 0.525 126 L N 3.860 124.960 121.223 -0.205 0.000 2.305 126 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 126 L C 0.291 177.068 176.870 -0.156 0.000 1.013 126 L CA -0.904 53.873 54.840 -0.104 0.000 0.819 126 L CB 1.140 43.222 42.059 0.038 0.000 1.227 126 L HN 0.689 nan 8.230 nan 0.000 0.417 127 Y N 1.438 121.740 120.300 0.004 0.000 2.519 127 Y HA 0.043 4.593 4.550 -0.000 0.000 0.287 127 Y C 1.131 177.038 175.900 0.011 0.000 1.128 127 Y CA -0.251 57.855 58.100 0.010 0.000 1.282 127 Y CB 0.392 38.854 38.460 0.003 0.000 1.027 127 Y HN 0.726 nan 8.280 nan 0.000 0.551 128 C N -2.872 116.513 119.300 0.142 0.000 3.332 128 C HA 0.500 4.960 4.460 -0.000 0.000 0.329 128 C C -0.887 174.159 174.990 0.094 0.000 1.434 128 C CA -1.581 57.489 59.018 0.087 0.000 1.314 128 C CB 1.158 28.935 27.740 0.062 0.000 1.664 128 C HN -0.010 nan 8.230 nan 0.000 0.457 129 D N 0.965 121.399 120.400 0.056 0.000 2.382 129 D HA 0.483 5.123 4.640 -0.000 0.000 0.240 129 D C -0.548 175.806 176.300 0.090 0.000 1.146 129 D CA 0.772 54.794 54.000 0.037 0.000 0.897 129 D CB 0.514 41.285 40.800 -0.048 0.000 1.197 129 D HN 0.809 nan 8.370 nan 0.000 0.432 130 Y N -1.957 118.311 120.300 -0.053 0.000 2.562 130 Y HA 0.689 5.238 4.550 -0.000 0.000 0.345 130 Y C -0.329 175.499 175.900 -0.120 0.000 1.045 130 Y CA -1.122 56.939 58.100 -0.065 0.000 1.028 130 Y CB 1.314 39.761 38.460 -0.022 0.000 1.297 130 Y HN 0.346 nan 8.280 nan 0.000 0.463 131 G N 2.203 110.914 108.800 -0.148 0.000 2.788 131 G HA2 0.730 4.690 3.960 -0.000 0.000 0.293 131 G HA3 0.730 4.690 3.960 -0.000 0.000 0.293 131 G C -2.082 172.798 174.900 -0.032 0.000 1.305 131 G CA -1.334 43.602 45.100 -0.274 0.000 1.005 131 G HN 0.768 nan 8.290 nan 0.000 0.496 132 L N 0.639 121.829 121.223 -0.055 0.000 2.410 132 L HA 0.414 4.754 4.340 -0.000 0.000 0.270 132 L C -0.607 176.094 176.870 -0.280 0.000 0.983 132 L CA -1.114 53.672 54.840 -0.090 0.000 0.822 132 L CB 2.384 44.549 42.059 0.176 0.000 1.285 132 L HN 0.488 nan 8.230 nan 0.000 0.409 133 H N 2.513 121.423 119.070 -0.267 0.000 2.505 133 H HA 0.393 4.949 4.556 -0.000 0.000 0.355 133 H C -0.724 174.636 175.328 0.054 0.000 1.179 133 H CA -0.627 55.297 56.048 -0.206 0.000 1.343 133 H CB 2.463 31.944 29.762 -0.468 0.000 1.501 133 H HN 0.225 nan 8.280 nan 0.000 0.569 134 L N 2.382 123.782 121.223 0.296 0.000 2.295 134 L HA 0.330 4.670 4.340 -0.000 0.000 0.285 134 L C -0.449 176.639 176.870 0.363 0.000 1.035 134 L CA -0.232 54.793 54.840 0.308 0.000 0.806 134 L CB 0.529 42.756 42.059 0.279 0.000 1.214 134 L HN 0.439 nan 8.230 nan 0.000 0.426 135 I N 5.596 126.407 120.570 0.401 0.000 2.331 135 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 135 I C -0.874 175.473 176.117 0.383 0.000 0.998 135 I CA -0.525 61.042 61.300 0.445 0.000 1.267 135 I CB 1.269 39.581 38.000 0.521 0.000 1.386 135 I HN 0.378 nan 8.210 nan 0.000 0.476 136 L N 7.443 128.877 121.223 0.351 0.000 2.333 136 L HA 0.371 4.711 4.340 -0.000 0.000 0.280 136 L C -0.040 177.028 176.870 0.330 0.000 1.004 136 L CA 0.057 55.034 54.840 0.227 0.000 0.820 136 L CB 1.261 43.407 42.059 0.145 0.000 1.247 136 L HN 0.595 nan 8.230 nan 0.000 0.416 137 F N -0.073 119.973 119.950 0.160 0.000 2.925 137 F HA 0.422 4.949 4.527 -0.000 0.000 0.355 137 F C 0.226 176.088 175.800 0.104 0.000 1.073 137 F CA -0.470 57.615 58.000 0.142 0.000 1.127 137 F CB 0.195 39.263 39.000 0.113 0.000 1.123 137 F HN 0.377 nan 8.300 nan 0.000 0.551 138 Q N 2.703 122.308 119.800 -0.326 0.000 2.339 138 Q HA 0.460 4.800 4.340 -0.000 0.000 0.268 138 Q C -1.504 174.443 176.000 -0.089 0.000 1.027 138 Q CA -0.557 55.140 55.803 -0.176 0.000 0.759 138 Q CB 1.729 30.286 28.738 -0.300 0.000 1.244 138 Q HN 0.211 nan 8.270 nan 0.000 0.464 139 I N 3.480 124.053 120.570 0.004 0.000 2.433 139 I HA 0.315 4.484 4.170 -0.000 0.000 0.292 139 I C 0.257 176.400 176.117 0.042 0.000 1.001 139 I CA -0.810 60.506 61.300 0.026 0.000 1.119 139 I CB 1.542 39.580 38.000 0.063 0.000 1.289 139 I HN 0.564 nan 8.210 nan 0.000 0.438 140 E N 5.684 125.902 120.200 0.030 0.000 2.404 140 E HA 0.307 4.657 4.350 -0.000 0.000 0.261 140 E C -0.402 176.241 176.600 0.071 0.000 1.074 140 E CA -0.161 56.262 56.400 0.037 0.000 0.917 140 E CB 1.161 30.874 29.700 0.021 0.000 0.965 140 E HN 0.413 nan 8.360 nan 0.000 0.433 141 K N 1.582 122.026 120.400 0.074 0.000 2.385 141 K HA 0.516 4.835 4.320 -0.000 0.000 0.248 141 K C -2.295 174.346 176.600 0.070 0.000 0.955 141 K CA -1.713 54.640 56.287 0.111 0.000 0.816 141 K CB 1.309 33.862 32.500 0.087 0.000 1.250 141 K HN 0.276 nan 8.250 nan 0.000 0.434 142 P HA 0.092 nan 4.420 nan 0.000 0.276 142 P C 0.560 177.937 177.300 0.128 0.000 1.261 142 P CA -0.586 62.610 63.100 0.160 0.000 0.800 142 P CB 0.686 32.454 31.700 0.114 0.000 1.066 143 S N -0.676 115.109 115.700 0.141 0.000 2.374 143 S HA -0.175 4.294 4.470 -0.000 0.000 0.227 143 S C 1.814 176.347 174.600 -0.112 0.000 1.037 143 S CA 1.649 59.798 58.200 -0.085 0.000 1.024 143 S CB -1.480 61.520 63.200 -0.335 0.000 0.861 143 S HN 0.217 nan 8.310 nan 0.000 0.456 144 V N 1.928 121.794 119.914 -0.080 0.000 2.469 144 V HA -0.161 3.959 4.120 -0.000 0.000 0.251 144 V C 2.710 178.766 176.094 -0.062 0.000 1.064 144 V CA 2.282 64.525 62.300 -0.094 0.000 1.066 144 V CB -0.916 30.877 31.823 -0.050 0.000 0.667 144 V HN 0.454 nan 8.190 nan 0.000 0.461 145 E N 0.016 120.200 120.200 -0.027 0.000 2.075 145 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 145 E C 2.299 178.891 176.600 -0.013 0.000 0.969 145 E CA 1.058 57.452 56.400 -0.011 0.000 0.815 145 E CB -0.644 29.059 29.700 0.005 0.000 0.776 145 E HN 0.471 nan 8.360 nan 0.000 0.457 146 A N 1.903 124.718 122.820 -0.009 0.000 1.971 146 A HA -0.314 4.006 4.320 -0.000 0.000 0.222 146 A C 2.108 179.682 177.584 -0.017 0.000 1.182 146 A CA 2.332 54.367 52.037 -0.004 0.000 0.649 146 A CB -0.749 18.258 19.000 0.012 0.000 0.818 146 A HN 0.298 nan 8.150 nan 0.000 0.458 147 R N -0.882 119.585 120.500 -0.055 0.000 2.200 147 R HA 0.077 4.417 4.340 -0.000 0.000 0.208 147 R C 1.522 177.846 176.300 0.039 0.000 1.033 147 R CA 1.369 57.449 56.100 -0.033 0.000 1.000 147 R CB -0.253 29.893 30.300 -0.256 0.000 0.906 147 R HN 0.593 nan 8.270 nan 0.000 0.462 148 E N 0.835 121.042 120.200 0.012 0.000 2.127 148 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 148 E C 1.963 178.577 176.600 0.024 0.000 0.964 148 E CA 0.217 56.639 56.400 0.036 0.000 0.832 148 E CB 0.144 29.860 29.700 0.028 0.000 0.790 148 E HN 0.167 nan 8.360 nan 0.000 0.465 149 L N 1.363 122.594 121.223 0.014 0.000 2.156 149 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 149 L C 2.206 179.079 176.870 0.005 0.000 1.095 149 L CA 0.952 55.798 54.840 0.010 0.000 0.770 149 L CB -0.289 41.775 42.059 0.009 0.000 0.914 149 L HN 0.212 nan 8.230 nan 0.000 0.439 150 L N 0.964 122.188 121.223 0.002 0.000 2.079 150 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 150 L C 2.220 179.070 176.870 -0.034 0.000 1.081 150 L CA 2.193 57.026 54.840 -0.012 0.000 0.752 150 L CB -0.811 41.245 42.059 -0.005 0.000 0.896 150 L HN 0.347 nan 8.230 nan 0.000 0.433 151 D N -1.023 119.366 120.400 -0.018 0.000 2.092 151 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 151 D C 2.136 178.413 176.300 -0.039 0.000 0.994 151 D CA 1.813 55.787 54.000 -0.043 0.000 0.828 151 D CB -0.140 40.655 40.800 -0.008 0.000 0.963 151 D HN 0.203 nan 8.370 nan 0.000 0.450 152 V N 0.388 120.298 119.914 -0.008 0.000 2.392 152 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 152 V C 2.611 178.717 176.094 0.021 0.000 1.059 152 V CA 1.901 64.207 62.300 0.010 0.000 1.051 152 V CB -0.609 31.224 31.823 0.016 0.000 0.658 152 V HN 0.299 nan 8.190 nan 0.000 0.455 153 Q N -0.593 119.214 119.800 0.011 0.000 2.124 153 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 153 Q C 2.302 178.327 176.000 0.042 0.000 0.977 153 Q CA 1.420 57.240 55.803 0.028 0.000 0.850 153 Q CB -0.184 28.562 28.738 0.014 0.000 0.901 153 Q HN 0.558 nan 8.270 nan 0.000 0.429 154 L N 0.277 121.481 121.223 -0.031 0.000 2.093 154 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 154 L C 2.410 179.358 176.870 0.131 0.000 1.085 154 L CA 1.123 55.910 54.840 -0.089 0.000 0.755 154 L CB -0.394 41.349 42.059 -0.527 0.000 0.904 154 L HN 0.298 nan 8.230 nan 0.000 0.435 155 Q N -0.080 119.778 119.800 0.097 0.000 2.061 155 Q HA -0.217 4.122 4.340 -0.000 0.000 0.204 155 Q C 2.450 178.581 176.000 0.219 0.000 0.984 155 Q CA 1.780 57.696 55.803 0.189 0.000 0.846 155 Q CB -0.292 28.509 28.738 0.106 0.000 0.902 155 Q HN 0.558 nan 8.270 nan 0.000 0.421 156 A N 1.003 123.913 122.820 0.149 0.000 1.933 156 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 156 A C 2.279 179.967 177.584 0.174 0.000 1.175 156 A CA 1.620 53.733 52.037 0.126 0.000 0.628 156 A CB -0.754 18.302 19.000 0.094 0.000 0.814 156 A HN 0.410 nan 8.150 nan 0.000 0.444 157 A N -1.606 121.360 122.820 0.242 0.000 1.930 157 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 157 A C 2.147 179.940 177.584 0.347 0.000 1.175 157 A CA 1.637 53.861 52.037 0.311 0.000 0.627 157 A CB -0.735 18.465 19.000 0.333 0.000 0.815 157 A HN 0.721 nan 8.150 nan 0.000 0.443 158 Y N 1.472 121.936 120.300 0.274 0.000 2.163 158 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 158 Y C 2.101 178.066 175.900 0.108 0.000 1.136 158 Y CA 2.000 60.214 58.100 0.189 0.000 1.147 158 Y CB -0.274 38.328 38.460 0.236 0.000 0.987 158 Y HN 0.320 nan 8.280 nan 0.000 0.509 159 N N 0.485 119.179 118.700 -0.009 0.000 2.166 159 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 159 N C 1.161 176.558 175.510 -0.189 0.000 1.019 159 N CA 1.664 54.627 53.050 -0.144 0.000 0.856 159 N CB -0.353 38.133 38.487 -0.002 0.000 0.993 159 N HN 0.478 nan 8.380 nan 0.000 0.426 160 D N -1.204 119.109 120.400 -0.145 0.000 2.216 160 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 160 D C 0.727 176.714 176.300 -0.521 0.000 0.960 160 D CA 0.841 54.638 54.000 -0.339 0.000 0.861 160 D CB 0.049 40.644 40.800 -0.342 0.000 0.985 160 D HN 0.367 nan 8.370 nan 0.000 0.493 161 Y N -1.010 119.287 120.300 -0.006 0.000 2.672 161 Y HA 0.303 4.852 4.550 -0.000 0.000 0.252 161 Y C 1.260 177.228 175.900 0.114 0.000 1.132 161 Y CA -0.177 57.965 58.100 0.070 0.000 1.228 161 Y CB 1.398 39.887 38.460 0.048 0.000 1.310 161 Y HN -0.041 nan 8.280 nan 0.000 0.549 162 G N 1.421 110.244 108.800 0.039 0.000 2.249 162 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 162 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 162 G C -0.239 174.723 174.900 0.103 0.000 1.036 162 G CA 0.390 45.459 45.100 -0.051 0.000 0.824 162 G HN 0.137 nan 8.290 nan 0.000 0.504 163 V N 0.883 120.912 119.914 0.193 0.000 2.461 163 V HA 0.560 4.680 4.120 -0.000 0.000 0.275 163 V C 1.110 177.172 176.094 -0.054 0.000 1.047 163 V CA 0.660 63.039 62.300 0.132 0.000 0.955 163 V CB 1.610 33.562 31.823 0.215 0.000 0.988 163 V HN 0.934 nan 8.190 nan 0.000 0.471 164 S N 1.334 116.835 115.700 -0.332 0.000 2.937 164 S HA 0.274 4.744 4.470 -0.000 0.000 0.252 164 S C 0.162 174.277 174.600 -0.809 0.000 1.022 164 S CA -0.072 57.488 58.200 -1.067 0.000 1.079 164 S CB 0.343 63.207 63.200 -0.560 0.000 1.035 164 S HN 0.792 nan 8.310 nan 0.000 0.594 165 S N 0.063 115.628 115.700 -0.225 0.000 2.536 165 S HA 0.889 5.359 4.470 -0.000 0.000 0.287 165 S C -0.649 174.145 174.600 0.324 0.000 1.101 165 S CA -0.656 57.633 58.200 0.149 0.000 0.950 165 S CB 1.858 65.212 63.200 0.257 0.000 1.056 165 S HN 0.162 nan 8.310 nan 0.000 0.481 169 F N 1.318 121.379 119.950 0.186 0.000 2.495 169 F HA 0.557 5.083 4.527 -0.000 0.000 0.327 169 F C 0.735 176.601 175.800 0.110 0.000 1.103 169 F CA -0.540 57.553 58.000 0.156 0.000 0.949 169 F CB 1.670 40.756 39.000 0.143 0.000 1.142 169 F HN 0.546 nan 8.300 nan 0.000 0.457 170 M N 0.798 120.542 119.600 0.240 0.000 2.371 170 M HA 0.131 4.611 4.480 -0.000 0.000 0.246 170 M C 0.297 176.646 176.300 0.081 0.000 1.103 170 M CA 0.357 55.755 55.300 0.163 0.000 1.010 170 M CB 0.595 33.293 32.600 0.163 0.000 1.457 170 M HN 0.691 nan 8.290 nan 0.000 0.486 171 T N -1.271 113.279 114.554 -0.007 0.000 2.716 171 T HA 0.518 4.868 4.350 -0.000 0.000 0.286 171 T C -1.695 172.911 174.700 -0.157 0.000 1.052 171 T CA -0.211 61.794 62.100 -0.158 0.000 1.024 171 T CB 0.945 69.614 68.868 -0.332 0.000 1.349 171 T HN 0.283 nan 8.240 nan 0.000 0.525 172 Y N -0.819 119.436 120.300 -0.074 0.000 2.605 172 Y HA -0.099 4.451 4.550 -0.000 0.000 0.025 172 Y C -2.621 173.213 175.900 -0.110 0.000 1.812 172 Y CA -0.857 57.166 58.100 -0.128 0.000 1.350 172 Y CB -1.141 37.160 38.460 -0.265 0.000 2.002 172 Y HN 0.496 nan 8.280 nan 0.000 0.268 173 P HA 0.259 nan 4.420 nan 0.000 0.271 173 P C 0.921 178.196 177.300 -0.042 0.000 1.220 173 P CA 1.659 64.768 63.100 0.014 0.000 0.768 173 P CB 0.984 32.686 31.700 0.004 0.000 0.848 174 G N 2.261 111.038 108.800 -0.038 0.000 2.258 174 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.233 174 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.233 174 G C 0.587 175.387 174.900 -0.167 0.000 1.006 174 G CA 0.224 45.259 45.100 -0.108 0.000 0.620 174 G HN 0.482 nan 8.290 nan 0.000 0.511 175 L N 0.296 121.447 121.223 -0.120 0.000 2.577 175 L HA 0.363 4.703 4.340 -0.000 0.000 0.225 175 L C 1.396 178.358 176.870 0.154 0.000 1.053 175 L CA 0.275 55.067 54.840 -0.079 0.000 0.866 175 L CB 0.092 41.895 42.059 -0.427 0.000 1.132 175 L HN 0.338 nan 8.230 nan 0.000 0.486 176 Q N 2.841 122.719 119.800 0.130 0.000 2.269 176 Q HA 0.123 4.463 4.340 -0.000 0.000 0.300 176 Q C -0.614 175.488 176.000 0.171 0.000 1.070 176 Q CA 0.261 56.158 55.803 0.157 0.000 0.957 176 Q CB 0.443 29.239 28.738 0.097 0.000 1.131 176 Q HN 0.380 nan 8.270 nan 0.000 0.377 177 I N 0.658 121.343 120.570 0.191 0.000 2.693 177 I HA 0.533 4.703 4.170 -0.000 0.000 0.303 177 I C 0.029 176.234 176.117 0.146 0.000 1.025 177 I CA -1.150 60.253 61.300 0.172 0.000 1.086 177 I CB 1.932 40.047 38.000 0.191 0.000 1.268 177 I HN 0.597 nan 8.210 nan 0.000 0.440 178 S N 1.896 117.678 115.700 0.137 0.000 2.589 178 S HA 0.079 4.549 4.470 -0.000 0.000 0.265 178 S C 0.529 175.216 174.600 0.145 0.000 1.342 178 S CA -0.114 58.164 58.200 0.130 0.000 1.005 178 S CB 0.833 64.109 63.200 0.127 0.000 0.909 178 S HN 0.730 nan 8.310 nan 0.000 0.555 179 D N 0.337 120.817 120.400 0.134 0.000 2.123 179 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 179 D C 1.456 177.842 176.300 0.144 0.000 0.992 179 D CA 1.738 55.813 54.000 0.125 0.000 0.833 179 D CB -0.589 40.274 40.800 0.106 0.000 0.954 179 D HN 0.777 nan 8.370 nan 0.000 0.455 180 Y N 1.732 122.054 120.300 0.036 0.000 2.128 180 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 180 Y C 1.759 177.680 175.900 0.035 0.000 1.154 180 Y CA 1.839 59.953 58.100 0.024 0.000 1.149 180 Y CB -0.022 38.447 38.460 0.014 0.000 0.976 180 Y HN -0.150 nan 8.280 nan 0.000 0.505 181 D N 0.221 120.766 120.400 0.242 0.000 2.178 181 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 181 D C 2.241 178.587 176.300 0.077 0.000 0.974 181 D CA 1.582 55.669 54.000 0.145 0.000 0.841 181 D CB -0.288 40.617 40.800 0.176 0.000 0.953 181 D HN 0.480 nan 8.370 nan 0.000 0.478 182 I N 0.419 121.042 120.570 0.089 0.000 2.226 182 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 182 I C 2.448 178.596 176.117 0.052 0.000 1.100 182 I CA 0.860 62.206 61.300 0.077 0.000 1.374 182 I CB -0.181 37.873 38.000 0.089 0.000 1.057 182 I HN -0.038 nan 8.210 nan 0.000 0.413 183 M N -0.170 119.441 119.600 0.019 0.000 2.108 183 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 183 M C 2.525 178.837 176.300 0.021 0.000 1.066 183 M CA 1.739 57.043 55.300 0.007 0.000 1.107 183 M CB -0.525 32.032 32.600 -0.071 0.000 1.356 183 M HN 0.140 nan 8.290 nan 0.000 0.406 184 S N 0.593 116.253 115.700 -0.066 0.000 2.359 184 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 184 S C 2.112 176.754 174.600 0.070 0.000 1.035 184 S CA 1.466 59.643 58.200 -0.039 0.000 1.018 184 S CB -0.438 62.708 63.200 -0.090 0.000 0.876 184 S HN 0.580 nan 8.310 nan 0.000 0.448 185 A N 1.348 124.204 122.820 0.060 0.000 1.873 185 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 185 A C 2.151 179.785 177.584 0.082 0.000 1.186 185 A CA 1.461 53.536 52.037 0.063 0.000 0.616 185 A CB -0.627 18.410 19.000 0.061 0.000 0.823 185 A HN 0.470 nan 8.150 nan 0.000 0.442 186 M N -2.252 117.407 119.600 0.100 0.000 2.202 186 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 186 M C 2.162 178.555 176.300 0.155 0.000 1.063 186 M CA 1.858 57.222 55.300 0.107 0.000 1.097 186 M CB -0.441 32.222 32.600 0.105 0.000 1.382 186 M HN 0.637 nan 8.290 nan 0.000 0.413 187 Y N 0.637 120.995 120.300 0.096 0.000 2.145 187 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 187 Y C 2.391 178.353 175.900 0.103 0.000 1.145 187 Y CA 1.926 60.123 58.100 0.161 0.000 1.148 187 Y CB -0.234 38.318 38.460 0.153 0.000 0.981 187 Y HN 0.175 nan 8.280 nan 0.000 0.507 188 A N -0.546 122.402 122.820 0.214 0.000 1.898 188 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 188 A C 2.277 179.790 177.584 -0.118 0.000 1.181 188 A CA 2.319 54.376 52.037 0.033 0.000 0.620 188 A CB -1.492 17.511 19.000 0.005 0.000 0.819 188 A HN 0.599 nan 8.150 nan 0.000 0.442 189 T N -1.856 112.647 114.554 -0.085 0.000 2.777 189 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 189 T C 2.025 176.722 174.700 -0.005 0.000 1.040 189 T CA 1.309 63.355 62.100 -0.090 0.000 1.141 189 T CB -0.404 68.480 68.868 0.026 0.000 0.868 189 T HN 0.485 nan 8.240 nan 0.000 0.444 190 R N 1.561 122.065 120.500 0.007 0.000 2.083 190 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 190 R C 2.633 178.928 176.300 -0.008 0.000 1.137 190 R CA 1.846 57.962 56.100 0.026 0.000 0.951 190 R CB -0.339 29.996 30.300 0.059 0.000 0.851 190 R HN 0.494 nan 8.270 nan 0.000 0.434 191 K N -0.064 120.261 120.400 -0.125 0.000 2.152 191 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 191 K C 0.951 177.410 176.600 -0.235 0.000 1.048 191 K CA 1.670 57.733 56.287 -0.374 0.000 0.933 191 K CB 0.045 32.106 32.500 -0.731 0.000 0.721 191 K HN 0.281 nan 8.250 nan 0.000 0.447 192 N N -0.447 118.174 118.700 -0.131 0.000 2.230 192 N HA 0.039 4.778 4.740 -0.000 0.000 0.202 192 N C 0.197 175.774 175.510 0.111 0.000 1.119 192 N CA 0.785 53.817 53.050 -0.031 0.000 0.851 192 N CB 1.232 39.665 38.487 -0.091 0.000 0.990 192 N HN 0.389 nan 8.380 nan 0.000 0.497 193 G N 1.354 110.202 108.800 0.080 0.000 2.225 193 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.267 193 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.267 193 G C -0.028 174.949 174.900 0.129 0.000 1.024 193 G CA -0.006 45.136 45.100 0.072 0.000 0.784 193 G HN 0.196 nan 8.290 nan 0.000 0.507 194 F N 0.629 120.541 119.950 -0.064 0.000 2.440 194 F HA 0.469 4.996 4.527 -0.000 0.000 0.323 194 F C 1.482 177.286 175.800 0.007 0.000 1.192 194 F CA 0.133 58.120 58.000 -0.022 0.000 1.252 194 F CB 0.776 39.780 39.000 0.007 0.000 1.214 194 F HN -0.015 nan 8.300 nan 0.000 0.578 195 T N 1.518 116.161 114.554 0.148 0.000 2.728 195 T HA 0.290 4.640 4.350 -0.000 0.000 0.296 195 T C -0.187 174.617 174.700 0.173 0.000 0.940 195 T CA -0.518 61.658 62.100 0.127 0.000 1.013 195 T CB 0.234 69.182 68.868 0.133 0.000 0.912 195 T HN 0.418 nan 8.240 nan 0.000 0.484 196 T N 5.614 120.233 114.554 0.107 0.000 2.744 196 T HA 0.511 4.861 4.350 -0.000 0.000 0.291 196 T C 0.097 174.791 174.700 -0.011 0.000 0.957 196 T CA -0.569 61.572 62.100 0.068 0.000 1.002 196 T CB 0.359 69.247 68.868 0.033 0.000 0.919 196 T HN 0.439 nan 8.240 nan 0.000 0.468 197 M N 3.839 123.430 119.600 -0.015 0.000 2.383 197 M HA 0.571 5.051 4.480 -0.000 0.000 0.325 197 M C -0.965 175.261 176.300 -0.122 0.000 1.092 197 M CA -0.648 54.602 55.300 -0.082 0.000 0.961 197 M CB 1.835 34.391 32.600 -0.073 0.000 1.672 197 M HN 0.298 nan 8.290 nan 0.000 0.438 198 L N 1.430 122.552 121.223 -0.169 0.000 2.408 198 L HA 0.443 4.783 4.340 -0.000 0.000 0.268 198 L C -0.792 176.093 176.870 0.026 0.000 0.986 198 L CA -0.719 54.074 54.840 -0.079 0.000 0.820 198 L CB 2.184 44.214 42.059 -0.047 0.000 1.303 198 L HN 0.709 nan 8.230 nan 0.000 0.411 199 H N 2.965 121.965 119.070 -0.117 0.000 2.761 199 H HA 0.517 5.073 4.556 -0.000 0.000 0.284 199 H C -0.302 175.115 175.328 0.149 0.000 1.105 199 H CA -0.550 55.519 56.048 0.034 0.000 1.352 199 H CB 1.066 30.840 29.762 0.019 0.000 1.423 199 H HN 0.657 nan 8.280 nan 0.000 0.464 200 A N 5.791 128.826 122.820 0.358 0.000 2.838 200 A HA 0.264 4.584 4.320 -0.000 0.000 0.337 200 A C -0.394 177.310 177.584 0.200 0.000 1.383 200 A CA -0.587 51.621 52.037 0.284 0.000 0.985 200 A CB 0.086 19.235 19.000 0.249 0.000 1.157 200 A HN 0.860 nan 8.150 nan 0.000 0.497 201 E N 0.760 121.111 120.200 0.252 0.000 2.266 201 E HA 0.173 4.523 4.350 -0.000 0.000 0.268 201 E C -0.837 175.801 176.600 0.063 0.000 0.879 201 E CA -0.739 55.731 56.400 0.117 0.000 0.762 201 E CB 1.788 31.559 29.700 0.119 0.000 1.199 201 E HN 0.716 nan 8.360 nan 0.000 0.422 202 N N 1.225 119.942 118.700 0.027 0.000 2.406 202 N HA 0.034 4.774 4.740 -0.000 0.000 0.265 202 N C 1.109 176.626 175.510 0.011 0.000 1.203 202 N CA -0.033 53.030 53.050 0.022 0.000 0.945 202 N CB 0.543 39.036 38.487 0.010 0.000 1.165 202 N HN 0.656 nan 8.380 nan 0.000 0.485 203 G N 2.880 111.689 108.800 0.014 0.000 2.422 203 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 203 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 203 G C 1.000 175.918 174.900 0.030 0.000 1.146 203 G CA 0.639 45.741 45.100 0.003 0.000 0.769 203 G HN 0.575 nan 8.290 nan 0.000 0.547 204 D N 0.330 120.755 120.400 0.043 0.000 2.117 204 D HA -0.047 4.593 4.640 -0.000 0.000 0.198 204 D C 2.671 179.026 176.300 0.090 0.000 0.982 204 D CA 0.797 54.837 54.000 0.065 0.000 0.828 204 D CB -0.213 40.617 40.800 0.050 0.000 0.967 204 D HN 0.289 nan 8.370 nan 0.000 0.464 205 M N -0.128 119.503 119.600 0.052 0.000 2.117 205 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 205 M C 2.202 178.560 176.300 0.098 0.000 1.065 205 M CA 0.799 56.133 55.300 0.057 0.000 1.114 205 M CB -0.183 32.419 32.600 0.002 0.000 1.361 205 M HN -0.074 nan 8.290 nan 0.000 0.408 206 V N 0.776 120.723 119.914 0.055 0.000 2.255 206 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 206 V C 2.410 178.553 176.094 0.082 0.000 1.051 206 V CA 2.077 64.403 62.300 0.043 0.000 1.018 206 V CB -0.824 30.995 31.823 -0.007 0.000 0.641 206 V HN 0.479 nan 8.190 nan 0.000 0.445 207 K N -1.459 118.990 120.400 0.082 0.000 2.032 207 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 207 K C 2.066 178.727 176.600 0.102 0.000 1.048 207 K CA 2.295 58.625 56.287 0.071 0.000 0.927 207 K CB -0.317 32.221 32.500 0.064 0.000 0.712 207 K HN 0.566 nan 8.250 nan 0.000 0.441 208 W N 0.823 122.117 121.300 -0.009 0.000 2.355 208 W HA -0.231 4.429 4.660 -0.000 0.000 0.309 208 W C 2.211 178.729 176.519 -0.002 0.000 1.206 208 W CA 1.556 58.896 57.345 -0.008 0.000 1.284 208 W CB -0.181 29.274 29.460 -0.008 0.000 1.145 208 W HN 0.114 nan 8.180 nan 0.000 0.502 209 M N 0.255 120.098 119.600 0.406 0.000 2.159 209 M HA -0.135 4.344 4.480 -0.000 0.000 0.263 209 M C 1.818 178.189 176.300 0.118 0.000 1.063 209 M CA 1.674 57.149 55.300 0.292 0.000 1.110 209 M CB -0.952 31.781 32.600 0.220 0.000 1.374 209 M HN 0.099 nan 8.290 nan 0.000 0.411 210 I N -0.467 120.165 120.570 0.102 0.000 2.179 210 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 210 I C 2.079 178.171 176.117 -0.042 0.000 1.088 210 I CA 1.504 62.871 61.300 0.111 0.000 1.357 210 I CB -0.442 37.594 38.000 0.059 0.000 1.051 210 I HN 0.350 nan 8.210 nan 0.000 0.409 211 E N 0.676 120.788 120.200 -0.147 0.000 2.077 211 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 211 E C 2.302 178.723 176.600 -0.297 0.000 0.989 211 E CA 1.319 57.567 56.400 -0.254 0.000 0.800 211 E CB -0.173 29.318 29.700 -0.348 0.000 0.746 211 E HN 0.519 nan 8.360 nan 0.000 0.452 212 A N 0.755 123.356 122.820 -0.364 0.000 1.930 212 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 212 A C 2.133 179.643 177.584 -0.122 0.000 1.175 212 A CA 0.990 52.843 52.037 -0.306 0.000 0.627 212 A CB -0.506 18.332 19.000 -0.270 0.000 0.815 212 A HN 0.137 nan 8.150 nan 0.000 0.443 213 L N -0.840 120.354 121.223 -0.048 0.000 2.056 213 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 213 L C 2.575 179.407 176.870 -0.064 0.000 1.078 213 L CA 1.543 56.371 54.840 -0.020 0.000 0.749 213 L CB -0.547 41.573 42.059 0.102 0.000 0.901 213 L HN 0.448 nan 8.230 nan 0.000 0.433 214 E N -0.393 119.760 120.200 -0.078 0.000 2.110 214 E HA -0.224 4.125 4.350 -0.000 0.000 0.193 214 E C 2.093 178.627 176.600 -0.110 0.000 0.988 214 E CA 0.640 56.970 56.400 -0.117 0.000 0.804 214 E CB 0.000 29.597 29.700 -0.172 0.000 0.745 214 E HN 0.322 nan 8.360 nan 0.000 0.458 215 E N 0.885 121.013 120.200 -0.120 0.000 2.160 215 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 215 E C 1.502 178.054 176.600 -0.081 0.000 0.991 215 E CA 1.143 57.479 56.400 -0.107 0.000 0.810 215 E CB 0.103 29.724 29.700 -0.131 0.000 0.742 215 E HN 0.391 nan 8.360 nan 0.000 0.466 216 Q N -1.320 118.431 119.800 -0.082 0.000 2.360 216 Q HA 0.157 4.497 4.340 -0.000 0.000 0.202 216 Q C 0.834 176.787 176.000 -0.080 0.000 0.915 216 Q CA 0.406 56.168 55.803 -0.069 0.000 0.943 216 Q CB 0.808 29.509 28.738 -0.061 0.000 1.064 216 Q HN 0.332 nan 8.270 nan 0.000 0.511 217 G N 1.362 110.109 108.800 -0.087 0.000 2.143 217 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 217 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 217 G C 0.024 174.853 174.900 -0.119 0.000 0.991 217 G CA -0.172 44.881 45.100 -0.078 0.000 0.689 217 G HN 0.321 nan 8.290 nan 0.000 0.522 218 L N 1.928 123.020 121.223 -0.219 0.000 2.389 218 L HA 0.394 4.734 4.340 -0.000 0.000 0.265 218 L C 1.607 178.328 176.870 -0.250 0.000 1.167 218 L CA 0.388 54.910 54.840 -0.529 0.000 1.045 218 L CB 0.310 41.801 42.059 -0.947 0.000 1.351 218 L HN 0.366 nan 8.230 nan 0.000 0.419 219 T N -4.633 109.936 114.554 0.026 0.000 3.040 219 T HA 0.138 4.488 4.350 -0.000 0.000 0.266 219 T C 0.540 175.529 174.700 0.483 0.000 1.005 219 T CA -0.530 61.732 62.100 0.270 0.000 0.906 219 T CB 0.174 69.064 68.868 0.037 0.000 1.082 219 T HN 0.174 nan 8.240 nan 0.000 0.531 220 D N 1.788 122.477 120.400 0.481 0.000 2.378 220 D HA 0.461 5.101 4.640 -0.000 0.000 0.238 220 D C 1.616 178.173 176.300 0.428 0.000 1.180 220 D CA 0.357 54.629 54.000 0.453 0.000 0.895 220 D CB 1.004 42.054 40.800 0.418 0.000 1.192 220 D HN 0.241 nan 8.370 nan 0.000 0.438 221 A N 1.989 124.965 122.820 0.259 0.000 1.958 221 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 221 A C 2.009 179.617 177.584 0.040 0.000 1.178 221 A CA 1.646 53.756 52.037 0.121 0.000 0.642 221 A CB -1.105 17.875 19.000 -0.034 0.000 0.816 221 A HN 0.736 nan 8.150 nan 0.000 0.453 222 Y N -0.790 119.453 120.300 -0.096 0.000 2.256 222 Y HA -0.237 4.313 4.550 -0.000 0.000 0.288 222 Y C 1.733 177.397 175.900 -0.393 0.000 1.155 222 Y CA 1.680 59.626 58.100 -0.257 0.000 1.203 222 Y CB -0.494 37.758 38.460 -0.346 0.000 0.980 222 Y HN 0.415 nan 8.280 nan 0.000 0.530 223 Y N -1.121 118.918 120.300 -0.434 0.000 2.578 223 Y HA -0.084 4.466 4.550 -0.000 0.000 0.297 223 Y C 2.382 177.571 175.900 -1.185 0.000 1.176 223 Y CA 1.072 58.738 58.100 -0.723 0.000 1.315 223 Y CB -0.609 37.601 38.460 -0.417 0.000 1.031 223 Y HN 0.355 nan 8.280 nan 0.000 0.524 224 H N -0.371 118.070 119.070 -1.048 0.000 2.321 224 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 224 H C 2.427 177.483 175.328 -0.454 0.000 1.087 224 H CA 1.811 57.392 56.048 -0.778 0.000 1.319 224 H CB -0.452 29.126 29.762 -0.306 0.000 1.379 224 H HN 0.282 nan 8.280 nan 0.000 0.501 225 G N -0.072 108.456 108.800 -0.453 0.000 2.421 225 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 225 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 225 G C 1.825 176.485 174.900 -0.399 0.000 1.171 225 G CA 1.156 46.017 45.100 -0.400 0.000 0.775 225 G HN 0.392 nan 8.290 nan 0.000 0.543 226 V N 1.964 121.591 119.914 -0.479 0.000 2.490 226 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 226 V C 3.172 179.155 176.094 -0.186 0.000 1.061 226 V CA 2.196 64.316 62.300 -0.300 0.000 1.064 226 V CB -0.416 31.263 31.823 -0.240 0.000 0.670 226 V HN 0.618 nan 8.190 nan 0.000 0.461 227 S N 1.383 116.936 115.700 -0.246 0.000 2.474 227 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 227 S C 1.142 175.679 174.600 -0.104 0.000 0.997 227 S CA 0.671 58.799 58.200 -0.120 0.000 0.949 227 S CB -0.186 62.969 63.200 -0.075 0.000 0.766 227 S HN 0.825 nan 8.310 nan 0.000 0.517 228 R N 0.150 120.545 120.500 -0.176 0.000 2.734 228 R HA 0.383 4.723 4.340 -0.000 0.000 0.242 228 R C -3.354 172.864 176.300 -0.136 0.000 1.617 228 R CA -1.435 54.580 56.100 -0.142 0.000 1.572 228 R CB -0.063 30.133 30.300 -0.172 0.000 1.477 228 R HN 0.199 nan 8.270 nan 0.000 0.707 229 P HA -0.028 nan 4.420 nan 0.000 0.271 229 P C 0.975 178.226 177.300 -0.081 0.000 1.244 229 P CA 0.050 63.095 63.100 -0.092 0.000 0.793 229 P CB 0.888 32.548 31.700 -0.067 0.000 0.984 230 S N 0.130 115.786 115.700 -0.074 0.000 2.419 230 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 230 S C 1.991 176.551 174.600 -0.067 0.000 1.016 230 S CA 0.700 58.855 58.200 -0.075 0.000 0.974 230 S CB -1.250 61.910 63.200 -0.067 0.000 0.786 230 S HN 0.486 nan 8.310 nan 0.000 0.492 231 I N 1.220 121.756 120.570 -0.056 0.000 2.567 231 I HA -0.129 4.041 4.170 -0.000 0.000 0.257 231 I C 1.905 177.991 176.117 -0.051 0.000 1.184 231 I CA 0.924 62.193 61.300 -0.051 0.000 1.451 231 I CB -0.053 37.920 38.000 -0.044 0.000 1.089 231 I HN 0.220 nan 8.210 nan 0.000 0.441 232 V N 0.455 120.338 119.914 -0.052 0.000 2.407 232 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 232 V C 2.340 178.410 176.094 -0.040 0.000 1.041 232 V CA 2.021 64.295 62.300 -0.043 0.000 1.040 232 V CB -0.582 31.216 31.823 -0.042 0.000 0.671 232 V HN 0.483 nan 8.190 nan 0.000 0.455 233 E N 0.496 120.663 120.200 -0.055 0.000 2.106 233 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 233 E C 2.262 178.811 176.600 -0.086 0.000 0.984 233 E CA 1.195 57.559 56.400 -0.061 0.000 0.806 233 E CB -0.347 29.300 29.700 -0.089 0.000 0.750 233 E HN 0.557 nan 8.360 nan 0.000 0.458 234 G N 1.551 110.299 108.800 -0.086 0.000 2.459 234 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 234 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 234 G C 1.501 176.352 174.900 -0.083 0.000 1.183 234 G CA 0.867 45.910 45.100 -0.094 0.000 0.776 234 G HN 0.260 nan 8.290 nan 0.000 0.552 235 E N 1.246 121.412 120.200 -0.056 0.000 2.038 235 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 235 E C 2.836 179.420 176.600 -0.027 0.000 1.000 235 E CA 1.496 57.873 56.400 -0.039 0.000 0.803 235 E CB -0.532 29.150 29.700 -0.030 0.000 0.750 235 E HN 0.274 nan 8.360 nan 0.000 0.448 236 A N 0.155 122.965 122.820 -0.016 0.000 1.933 236 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 236 A C 2.465 180.059 177.584 0.017 0.000 1.175 236 A CA 2.152 54.202 52.037 0.022 0.000 0.628 236 A CB -0.907 18.124 19.000 0.052 0.000 0.814 236 A HN 0.377 nan 8.150 nan 0.000 0.444 237 T N 0.262 114.757 114.554 -0.098 0.000 2.746 237 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 237 T C 1.964 176.560 174.700 -0.172 0.000 1.039 237 T CA 1.238 63.150 62.100 -0.312 0.000 1.142 237 T CB -0.458 68.067 68.868 -0.572 0.000 0.866 237 T HN 0.672 nan 8.240 nan 0.000 0.444 238 N N 1.127 119.765 118.700 -0.103 0.000 2.069 238 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 238 N C 2.180 177.701 175.510 0.018 0.000 1.031 238 N CA 1.298 54.322 53.050 -0.042 0.000 0.852 238 N CB -0.098 38.364 38.487 -0.042 0.000 1.018 238 N HN 0.340 nan 8.380 nan 0.000 0.423 239 R N 0.484 121.003 120.500 0.032 0.000 2.081 239 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 239 R C 2.205 178.564 176.300 0.099 0.000 1.131 239 R CA 1.534 57.668 56.100 0.057 0.000 0.960 239 R CB -0.311 30.020 30.300 0.053 0.000 0.856 239 R HN 0.260 nan 8.270 nan 0.000 0.436 240 A N 0.876 123.791 122.820 0.159 0.000 1.930 240 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 240 A C 2.151 179.880 177.584 0.241 0.000 1.175 240 A CA 1.236 53.415 52.037 0.236 0.000 0.627 240 A CB -0.435 18.818 19.000 0.422 0.000 0.815 240 A HN 0.373 nan 8.150 nan 0.000 0.443 241 I N -0.429 120.311 120.570 0.283 0.000 2.163 241 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 241 I C 2.618 178.788 176.117 0.088 0.000 1.085 241 I CA 1.813 63.227 61.300 0.190 0.000 1.347 241 I CB -0.746 37.337 38.000 0.140 0.000 1.044 241 I HN 0.246 nan 8.210 nan 0.000 0.408 242 T N 1.518 116.115 114.554 0.072 0.000 2.665 242 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 242 T C 1.920 176.652 174.700 0.054 0.000 1.035 242 T CA 1.471 63.601 62.100 0.050 0.000 1.151 242 T CB -0.395 68.499 68.868 0.043 0.000 0.862 242 T HN 0.245 nan 8.240 nan 0.000 0.438 243 L N 0.648 121.910 121.223 0.066 0.000 2.017 243 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 243 L C 3.080 179.984 176.870 0.056 0.000 1.073 243 L CA 1.329 56.207 54.840 0.063 0.000 0.745 243 L CB -0.741 41.359 42.059 0.069 0.000 0.894 243 L HN 0.241 nan 8.230 nan 0.000 0.432 244 A N -0.365 122.477 122.820 0.037 0.000 1.933 244 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 244 A C 2.357 179.926 177.584 -0.025 0.000 1.175 244 A CA 2.289 54.325 52.037 -0.003 0.000 0.628 244 A CB -0.849 18.129 19.000 -0.037 0.000 0.814 244 A HN 0.424 nan 8.150 nan 0.000 0.444 245 T N -0.568 113.980 114.554 -0.009 0.000 2.701 245 T HA -0.112 4.238 4.350 -0.000 0.000 0.263 245 T C 2.023 176.733 174.700 0.016 0.000 1.040 245 T CA 1.855 63.938 62.100 -0.028 0.000 1.147 245 T CB -0.644 68.221 68.868 -0.006 0.000 0.865 245 T HN 0.489 nan 8.240 nan 0.000 0.426 246 T N 2.086 116.688 114.554 0.081 0.000 2.759 246 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 246 T C 1.560 176.446 174.700 0.310 0.000 1.042 246 T CA 0.978 63.183 62.100 0.174 0.000 1.140 246 T CB -0.190 68.748 68.868 0.117 0.000 0.864 246 T HN 0.191 nan 8.240 nan 0.000 0.455 247 M N 0.743 120.469 119.600 0.209 0.000 2.428 247 M HA 0.193 4.673 4.480 -0.000 0.000 0.239 247 M C 0.521 176.853 176.300 0.053 0.000 1.121 247 M CA 0.110 55.597 55.300 0.311 0.000 1.019 247 M CB -0.813 31.922 32.600 0.227 0.000 1.485 247 M HN 0.152 nan 8.290 nan 0.000 0.484 248 D N 2.375 122.598 120.400 -0.296 0.000 2.720 248 D HA -0.148 4.492 4.640 -0.000 0.000 0.229 248 D C -0.968 175.150 176.300 -0.304 0.000 1.198 248 D CA 0.820 54.460 54.000 -0.599 0.000 0.639 248 D CB -0.432 39.430 40.800 -1.564 0.000 1.003 248 D HN 0.223 nan 8.370 nan 0.000 0.411 249 T N 1.518 115.982 114.554 -0.150 0.000 2.786 249 T HA 0.522 4.872 4.350 -0.000 0.000 0.283 249 T C -2.418 172.224 174.700 -0.097 0.000 0.992 249 T CA -1.298 60.755 62.100 -0.078 0.000 0.954 249 T CB 2.009 70.873 68.868 -0.008 0.000 0.934 249 T HN -0.051 nan 8.240 nan 0.000 0.440 250 P HA 0.334 nan 4.420 nan 0.000 0.266 250 P C -0.728 176.517 177.300 -0.091 0.000 1.195 250 P CA -0.285 62.754 63.100 -0.102 0.000 0.768 250 P CB 0.610 32.304 31.700 -0.011 0.000 0.838 251 I N 2.711 123.181 120.570 -0.167 0.000 2.722 251 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 251 I C -1.604 174.372 176.117 -0.234 0.000 1.161 251 I CA -1.218 59.946 61.300 -0.226 0.000 1.032 251 I CB 1.774 39.568 38.000 -0.342 0.000 1.244 251 I HN 0.172 nan 8.210 nan 0.000 0.421 252 L N 7.119 128.208 121.223 -0.224 0.000 2.333 252 L HA 0.570 4.910 4.340 -0.000 0.000 0.280 252 L C -1.551 175.160 176.870 -0.265 0.000 1.004 252 L CA -0.336 54.435 54.840 -0.115 0.000 0.820 252 L CB 1.352 43.421 42.059 0.016 0.000 1.247 252 L HN 0.443 nan 8.230 nan 0.000 0.416 253 F N 5.026 125.004 119.950 0.047 0.000 2.410 253 F HA 0.417 4.944 4.527 -0.000 0.000 0.349 253 F C 0.489 176.276 175.800 -0.021 0.000 1.117 253 F CA -0.660 57.344 58.000 0.006 0.000 1.104 253 F CB 1.516 40.530 39.000 0.024 0.000 1.122 253 F HN 0.265 nan 8.300 nan 0.000 0.483 254 V N 0.952 120.876 119.914 0.017 0.000 2.904 254 V HA 0.314 4.434 4.120 -0.000 0.000 0.305 254 V C -0.092 175.818 176.094 -0.306 0.000 1.067 254 V CA -1.054 61.161 62.300 -0.141 0.000 1.044 254 V CB 0.734 32.402 31.823 -0.259 0.000 1.050 254 V HN 0.968 nan 8.190 nan 0.000 0.475 255 H N 0.258 119.429 119.070 0.169 0.000 2.133 255 H HA -0.126 4.430 4.556 -0.000 0.000 0.319 255 H C -0.439 174.815 175.328 -0.124 0.000 0.911 255 H CA 0.366 56.465 56.048 0.084 0.000 1.058 255 H CB -2.665 27.210 29.762 0.190 0.000 1.594 255 H HN 0.647 nan 8.280 nan 0.000 0.331 256 V N 1.341 121.236 119.914 -0.032 0.000 2.555 256 V HA 0.247 4.367 4.120 -0.000 0.000 0.286 256 V C 1.361 177.261 176.094 -0.324 0.000 1.044 256 V CA 0.707 62.943 62.300 -0.107 0.000 1.026 256 V CB 1.419 33.296 31.823 0.090 0.000 0.981 256 V HN 0.948 nan 8.190 nan 0.000 0.480 257 S N 1.451 116.920 115.700 -0.385 0.000 2.679 257 S HA 0.145 4.615 4.470 -0.000 0.000 0.258 257 S C 0.632 175.098 174.600 -0.224 0.000 1.068 257 S CA 0.235 58.131 58.200 -0.506 0.000 1.115 257 S CB 0.482 63.057 63.200 -1.042 0.000 1.078 257 S HN 0.641 nan 8.310 nan 0.000 0.603 258 S N 2.526 118.137 115.700 -0.148 0.000 2.480 258 S HA 0.566 5.036 4.470 -0.000 0.000 0.286 258 S C -1.999 172.578 174.600 -0.038 0.000 1.180 258 S CA -1.561 56.584 58.200 -0.092 0.000 1.075 258 S CB 1.257 64.394 63.200 -0.104 0.000 0.996 258 S HN 0.048 nan 8.310 nan 0.000 0.487 259 P HA -0.088 nan 4.420 nan 0.000 0.216 259 P C 1.054 178.335 177.300 -0.031 0.000 1.150 259 P CA 1.105 64.200 63.100 -0.008 0.000 0.837 259 P CB 0.136 31.834 31.700 -0.003 0.000 0.786 260 Q N -0.515 119.258 119.800 -0.045 0.000 2.124 260 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 260 Q C 2.276 178.227 176.000 -0.081 0.000 0.977 260 Q CA 1.908 57.676 55.803 -0.058 0.000 0.850 260 Q CB -1.141 27.563 28.738 -0.058 0.000 0.901 260 Q HN 0.179 nan 8.270 nan 0.000 0.429 261 A N 0.677 123.439 122.820 -0.097 0.000 1.873 261 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 261 A C 2.284 179.791 177.584 -0.129 0.000 1.186 261 A CA 1.598 53.545 52.037 -0.149 0.000 0.616 261 A CB -1.060 17.841 19.000 -0.165 0.000 0.823 261 A HN 0.385 nan 8.150 nan 0.000 0.442 262 A N -0.293 122.491 122.820 -0.060 0.000 1.940 262 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 262 A C 1.922 179.445 177.584 -0.101 0.000 1.176 262 A CA 1.789 53.785 52.037 -0.068 0.000 0.631 262 A CB -0.549 18.433 19.000 -0.029 0.000 0.814 262 A HN 0.655 nan 8.150 nan 0.000 0.446 263 E N -0.379 119.773 120.200 -0.080 0.000 2.031 263 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 263 E C 2.148 178.702 176.600 -0.076 0.000 0.994 263 E CA 1.912 58.269 56.400 -0.072 0.000 0.800 263 E CB -0.383 29.284 29.700 -0.055 0.000 0.752 263 E HN 0.636 nan 8.360 nan 0.000 0.447 264 V N -0.581 119.281 119.914 -0.087 0.000 2.515 264 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 264 V C 2.140 178.183 176.094 -0.084 0.000 1.058 264 V CA 1.309 63.559 62.300 -0.084 0.000 1.064 264 V CB -0.669 31.099 31.823 -0.092 0.000 0.675 264 V HN 0.187 nan 8.190 nan 0.000 0.461 265 I N 0.469 120.974 120.570 -0.109 0.000 2.179 265 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 265 I C 2.689 178.764 176.117 -0.069 0.000 1.088 265 I CA 2.212 63.467 61.300 -0.074 0.000 1.357 265 I CB -0.438 37.520 38.000 -0.071 0.000 1.051 265 I HN 0.330 nan 8.210 nan 0.000 0.409 266 K N 1.299 121.643 120.400 -0.094 0.000 2.032 266 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 266 K C 2.074 178.634 176.600 -0.066 0.000 1.048 266 K CA 1.764 57.996 56.287 -0.091 0.000 0.927 266 K CB -0.353 32.087 32.500 -0.101 0.000 0.712 266 K HN 0.324 nan 8.250 nan 0.000 0.441 267 Q N -0.651 119.114 119.800 -0.059 0.000 2.135 267 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 267 Q C 2.084 178.058 176.000 -0.044 0.000 0.981 267 Q CA 1.596 57.371 55.803 -0.047 0.000 0.856 267 Q CB -0.247 28.466 28.738 -0.042 0.000 0.902 267 Q HN 0.474 nan 8.270 nan 0.000 0.425 268 A N 0.909 123.703 122.820 -0.045 0.000 1.898 268 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 268 A C 1.954 179.501 177.584 -0.062 0.000 1.181 268 A CA 1.306 53.316 52.037 -0.045 0.000 0.620 268 A CB -0.390 18.592 19.000 -0.029 0.000 0.819 268 A HN 0.330 nan 8.150 nan 0.000 0.442 269 Q N -0.866 118.894 119.800 -0.066 0.000 2.124 269 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 269 Q C 2.117 178.084 176.000 -0.057 0.000 0.977 269 Q CA 1.868 57.628 55.803 -0.072 0.000 0.850 269 Q CB -0.390 28.308 28.738 -0.066 0.000 0.901 269 Q HN 0.650 nan 8.270 nan 0.000 0.429 270 T N 1.030 115.554 114.554 -0.049 0.000 2.788 270 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 270 T C 1.503 176.180 174.700 -0.037 0.000 1.044 270 T CA 1.143 63.219 62.100 -0.040 0.000 1.139 270 T CB -0.064 68.782 68.868 -0.037 0.000 0.867 270 T HN 0.196 nan 8.240 nan 0.000 0.454 271 K N 0.080 120.455 120.400 -0.041 0.000 2.365 271 K HA 0.113 4.433 4.320 -0.000 0.000 0.199 271 K C 1.586 178.158 176.600 -0.047 0.000 1.045 271 K CA 0.588 56.851 56.287 -0.040 0.000 0.962 271 K CB 0.000 32.477 32.500 -0.040 0.000 0.759 271 K HN 0.444 nan 8.250 nan 0.000 0.469 272 G N 0.918 109.684 108.800 -0.057 0.000 2.157 272 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.239 272 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.239 272 G C 0.054 174.899 174.900 -0.091 0.000 0.982 272 G CA -0.304 44.759 45.100 -0.063 0.000 0.650 272 G HN 0.118 nan 8.290 nan 0.000 0.527 273 L N 0.312 121.472 121.223 -0.104 0.000 2.483 273 L HA 0.232 4.572 4.340 -0.000 0.000 0.276 273 L C 1.083 177.828 176.870 -0.208 0.000 1.213 273 L CA 0.216 54.973 54.840 -0.139 0.000 0.843 273 L CB 0.410 42.400 42.059 -0.115 0.000 1.107 273 L HN 0.050 nan 8.230 nan 0.000 0.487 274 K N 2.684 122.926 120.400 -0.263 0.000 2.142 274 K HA 0.288 4.608 4.320 -0.000 0.000 0.250 274 K C -1.119 175.098 176.600 -0.638 0.000 1.148 274 K CA -0.169 55.837 56.287 -0.467 0.000 1.040 274 K CB 0.345 32.649 32.500 -0.327 0.000 1.569 274 K HN 0.255 nan 8.250 nan 0.000 0.361 275 V N 4.111 123.651 119.914 -0.623 0.000 2.407 275 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 275 V C -0.784 175.052 176.094 -0.431 0.000 1.018 275 V CA -0.900 61.158 62.300 -0.405 0.000 0.842 275 V CB 0.451 32.219 31.823 -0.091 0.000 0.996 275 V HN 0.474 nan 8.190 nan 0.000 0.426 276 Y N 2.539 122.836 120.300 -0.005 0.000 2.496 276 Y HA 0.851 5.401 4.550 -0.000 0.000 0.331 276 Y C 0.453 176.418 175.900 0.109 0.000 1.140 276 Y CA -0.836 57.267 58.100 0.005 0.000 1.166 276 Y CB 2.050 40.459 38.460 -0.085 0.000 1.249 276 Y HN 0.678 nan 8.280 nan 0.000 0.479 277 A N 1.286 124.302 122.820 0.326 0.000 2.539 277 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 277 A C -1.564 176.221 177.584 0.336 0.000 1.073 277 A CA -0.770 51.490 52.037 0.372 0.000 0.700 277 A CB 2.007 21.288 19.000 0.469 0.000 1.296 277 A HN 0.733 nan 8.150 nan 0.000 0.405 278 E N 0.568 120.918 120.200 0.249 0.000 2.238 278 E HA 0.649 4.999 4.350 -0.000 0.000 0.267 278 E C -0.915 175.631 176.600 -0.090 0.000 0.887 278 E CA -0.293 56.182 56.400 0.125 0.000 0.769 278 E CB 2.041 31.834 29.700 0.154 0.000 1.187 278 E HN 0.651 nan 8.360 nan 0.000 0.416 279 T N 1.480 115.861 114.554 -0.289 0.000 2.858 279 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 279 T C -1.268 173.359 174.700 -0.122 0.000 1.052 279 T CA -0.338 61.526 62.100 -0.393 0.000 1.009 279 T CB 1.048 69.272 68.868 -1.073 0.000 1.241 279 T HN 0.618 nan 8.240 nan 0.000 0.542 280 C N 2.281 121.562 119.300 -0.032 0.000 2.712 280 C HA 0.493 4.953 4.460 -0.000 0.000 0.308 280 C C -1.408 173.484 174.990 -0.162 0.000 1.201 280 C CA -1.152 57.828 59.018 -0.063 0.000 1.554 280 C CB 1.738 29.426 27.740 -0.087 0.000 2.117 280 C HN 0.689 nan 8.230 nan 0.000 0.480 281 P HA -0.246 nan 4.420 nan 0.000 0.216 281 P C 1.722 178.938 177.300 -0.139 0.000 1.157 281 P CA 1.716 64.721 63.100 -0.158 0.000 0.880 281 P CB -0.012 31.628 31.700 -0.099 0.000 0.791 282 Q N -1.352 118.371 119.800 -0.129 0.000 2.234 282 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 282 Q C 1.381 177.251 176.000 -0.218 0.000 0.980 282 Q CA 1.771 57.493 55.803 -0.135 0.000 0.869 282 Q CB -1.372 27.211 28.738 -0.260 0.000 0.912 282 Q HN 0.327 nan 8.270 nan 0.000 0.436 283 Y N 0.575 120.830 120.300 -0.075 0.000 2.544 283 Y HA 0.269 4.819 4.550 -0.000 0.000 0.286 283 Y C 2.343 178.149 175.900 -0.158 0.000 1.141 283 Y CA 0.476 58.510 58.100 -0.109 0.000 1.299 283 Y CB -0.163 38.212 38.460 -0.141 0.000 1.030 283 Y HN 0.301 nan 8.280 nan 0.000 0.543 284 A N -1.320 121.408 122.820 -0.154 0.000 2.197 284 A HA 0.252 4.572 4.320 -0.000 0.000 0.210 284 A C 1.715 179.289 177.584 -0.018 0.000 1.180 284 A CA 0.403 52.240 52.037 -0.333 0.000 0.846 284 A CB -0.232 18.082 19.000 -1.142 0.000 0.884 284 A HN 0.402 nan 8.150 nan 0.000 0.487 285 L N -1.066 120.168 121.223 0.019 0.000 2.609 285 L HA 0.371 4.711 4.340 -0.000 0.000 0.230 285 L C -0.121 176.800 176.870 0.085 0.000 1.064 285 L CA 0.219 55.111 54.840 0.086 0.000 0.873 285 L CB 0.234 42.313 42.059 0.033 0.000 1.139 285 L HN 0.158 nan 8.230 nan 0.000 0.490 286 L N -0.575 120.690 121.223 0.070 0.000 2.333 286 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 286 L C -0.102 176.790 176.870 0.037 0.000 1.010 286 L CA -0.433 54.427 54.840 0.033 0.000 0.818 286 L CB 2.061 44.109 42.059 -0.017 0.000 1.306 286 L HN -0.013 nan 8.230 nan 0.000 0.430 287 S N -1.819 113.893 115.700 0.020 0.000 2.638 287 S HA 0.301 4.771 4.470 -0.000 0.000 0.302 287 S C 0.147 174.753 174.600 0.008 0.000 1.096 287 S CA -0.579 57.642 58.200 0.035 0.000 0.953 287 S CB 1.746 64.978 63.200 0.053 0.000 1.107 287 S HN 0.733 nan 8.310 nan 0.000 0.503 288 D N 0.802 121.224 120.400 0.036 0.000 2.378 288 D HA 0.018 4.658 4.640 -0.000 0.000 0.222 288 D C 1.682 178.015 176.300 0.054 0.000 0.980 288 D CA 0.963 54.992 54.000 0.048 0.000 0.907 288 D CB -0.600 40.246 40.800 0.077 0.000 0.899 288 D HN 0.635 nan 8.370 nan 0.000 0.527 289 A N 0.499 123.345 122.820 0.043 0.000 2.024 289 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 289 A C 2.107 179.656 177.584 -0.057 0.000 1.164 289 A CA 0.971 53.043 52.037 0.059 0.000 0.643 289 A CB -0.784 18.307 19.000 0.152 0.000 0.806 289 A HN 0.311 nan 8.150 nan 0.000 0.451 290 I N 0.518 120.961 120.570 -0.211 0.000 3.001 290 I HA -0.108 4.062 4.170 -0.000 0.000 0.268 290 I C 2.179 177.980 176.117 -0.527 0.000 1.267 290 I CA 1.814 62.766 61.300 -0.580 0.000 1.472 290 I CB -0.142 37.448 38.000 -0.683 0.000 1.089 290 I HN 0.455 nan 8.210 nan 0.000 0.468 291 T N -1.879 112.535 114.554 -0.234 0.000 3.107 291 T HA 0.220 4.570 4.350 -0.000 0.000 0.249 291 T C 0.693 175.344 174.700 -0.081 0.000 1.096 291 T CA -0.259 61.790 62.100 -0.085 0.000 1.012 291 T CB -0.158 68.733 68.868 0.038 0.000 0.977 291 T HN 0.469 nan 8.240 nan 0.000 0.527 292 R N -0.655 119.740 120.500 -0.175 0.000 2.829 292 R HA 0.745 5.085 4.340 -0.000 0.000 0.267 292 R C -1.064 175.159 176.300 -0.128 0.000 1.051 292 R CA -0.710 55.296 56.100 -0.156 0.000 0.927 292 R CB 0.362 30.537 30.300 -0.210 0.000 1.292 292 R HN 0.268 nan 8.270 nan 0.000 0.445 304 V N 0.072 120.046 119.914 0.100 0.000 3.620 304 V HA 0.623 4.743 4.120 -0.000 0.000 0.286 304 V C 0.977 177.192 176.094 0.201 0.000 1.288 304 V CA 1.380 63.737 62.300 0.095 0.000 1.178 304 V CB -0.311 31.571 31.823 0.098 0.000 0.986 304 V HN 1.192 nan 8.190 nan 0.000 0.431 305 G N -0.171 108.750 108.800 0.203 0.000 3.252 305 G HA2 0.652 4.612 3.960 -0.000 0.000 0.181 305 G HA3 0.652 4.612 3.960 -0.000 0.000 0.181 305 G C -0.739 174.222 174.900 0.101 0.000 1.187 305 G CA -1.136 44.082 45.100 0.196 0.000 0.886 305 G HN 0.225 nan 8.290 nan 0.000 0.615 306 I N 1.201 121.760 120.570 -0.018 0.000 2.441 306 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 306 I C -0.315 175.853 176.117 0.085 0.000 1.049 306 I CA -0.305 60.981 61.300 -0.025 0.000 1.381 306 I CB 1.412 39.369 38.000 -0.071 0.000 1.409 306 I HN 0.318 nan 8.210 nan 0.000 0.523 307 D N 6.641 127.117 120.400 0.127 0.000 2.356 307 D HA -0.014 4.626 4.640 -0.000 0.000 0.272 307 D C 0.997 177.362 176.300 0.108 0.000 1.337 307 D CA 0.406 54.470 54.000 0.108 0.000 0.970 307 D CB 0.596 41.463 40.800 0.111 0.000 1.092 307 D HN 0.423 nan 8.370 nan 0.000 0.516 308 L N 2.763 124.051 121.223 0.109 0.000 2.191 308 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 308 L C 2.304 179.310 176.870 0.227 0.000 1.103 308 L CA 1.195 56.132 54.840 0.161 0.000 0.769 308 L CB -0.511 41.689 42.059 0.235 0.000 0.908 308 L HN 0.439 nan 8.230 nan 0.000 0.438 309 S N -1.452 114.331 115.700 0.139 0.000 2.561 309 S HA -0.082 4.387 4.470 -0.000 0.000 0.225 309 S C 1.924 176.597 174.600 0.122 0.000 0.977 309 S CA 0.647 58.916 58.200 0.116 0.000 0.926 309 S CB -0.222 62.958 63.200 -0.034 0.000 0.769 309 S HN 0.508 nan 8.310 nan 0.000 0.533 310 S N 0.860 116.632 115.700 0.120 0.000 2.528 310 S HA 0.304 4.774 4.470 -0.000 0.000 0.219 310 S C 0.554 175.233 174.600 0.132 0.000 0.985 310 S CA -0.575 57.695 58.200 0.117 0.000 0.914 310 S CB -0.714 62.557 63.200 0.118 0.000 0.776 310 S HN 0.540 nan 8.310 nan 0.000 0.526 311 I N 3.841 124.495 120.570 0.141 0.000 2.533 311 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 311 I C 0.630 176.827 176.117 0.133 0.000 1.109 311 I CA -0.308 61.073 61.300 0.136 0.000 1.412 311 I CB 0.802 38.856 38.000 0.090 0.000 1.396 311 I HN 0.320 nan 8.210 nan 0.000 0.543 312 S N 5.320 121.101 115.700 0.136 0.000 2.654 312 S HA 0.326 4.796 4.470 -0.000 0.000 0.283 312 S C 0.049 174.731 174.600 0.138 0.000 1.180 312 S CA -0.589 57.687 58.200 0.126 0.000 1.021 312 S CB 1.653 64.919 63.200 0.110 0.000 1.018 312 S HN 0.665 nan 8.310 nan 0.000 0.532 313 E N -0.407 119.870 120.200 0.128 0.000 2.287 313 E HA -0.148 4.202 4.350 -0.000 0.000 0.229 313 E C -0.166 176.481 176.600 0.078 0.000 1.194 313 E CA 1.018 57.498 56.400 0.134 0.000 0.704 313 E CB -2.369 27.460 29.700 0.215 0.000 1.216 313 E HN 0.900 nan 8.360 nan 0.000 0.381 314 S N -2.439 113.294 115.700 0.055 0.000 2.745 314 S HA 0.715 5.185 4.470 -0.000 0.000 0.306 314 S C -2.243 172.309 174.600 -0.080 0.000 1.137 314 S CA -1.395 56.798 58.200 -0.011 0.000 0.900 314 S CB 2.581 65.711 63.200 -0.117 0.000 1.176 314 S HN -0.232 nan 8.310 nan 0.000 0.520 315 P HA 0.025 nan 4.420 nan 0.000 0.221 315 P C 0.882 178.159 177.300 -0.039 0.000 1.145 315 P CA 1.217 64.218 63.100 -0.164 0.000 0.795 315 P CB -0.176 31.358 31.700 -0.277 0.000 0.775 316 F N -0.393 119.551 119.950 -0.011 0.000 2.163 316 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 316 F C 2.426 178.233 175.800 0.012 0.000 1.094 316 F CA 1.404 59.399 58.000 -0.008 0.000 1.290 316 F CB -1.149 37.839 39.000 -0.020 0.000 1.017 316 F HN 0.007 nan 8.300 nan 0.000 0.483 317 T N -3.461 111.209 114.554 0.193 0.000 3.035 317 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 317 T C 0.764 175.527 174.700 0.104 0.000 1.078 317 T CA 0.418 62.598 62.100 0.133 0.000 1.132 317 T CB -0.189 68.751 68.868 0.118 0.000 0.900 317 T HN 0.013 nan 8.240 nan 0.000 0.480 318 N N 2.518 121.274 118.700 0.093 0.000 2.886 318 N HA 0.244 4.984 4.740 -0.000 0.000 0.285 318 N C -2.226 173.332 175.510 0.079 0.000 1.706 318 N CA -1.195 51.908 53.050 0.088 0.000 0.904 318 N CB 1.847 40.392 38.487 0.098 0.000 1.224 318 N HN 0.358 nan 8.380 nan 0.000 0.488 319 P HA -0.081 nan 4.420 nan 0.000 0.229 319 P C 0.861 178.206 177.300 0.075 0.000 1.160 319 P CA 0.928 64.074 63.100 0.078 0.000 0.777 319 P CB 0.364 32.113 31.700 0.081 0.000 0.814 320 D N -0.311 120.135 120.400 0.075 0.000 2.224 320 D HA -0.139 4.501 4.640 -0.000 0.000 0.205 320 D C 0.353 176.708 176.300 0.091 0.000 0.965 320 D CA 0.607 54.651 54.000 0.074 0.000 0.852 320 D CB -0.950 39.888 40.800 0.064 0.000 0.947 320 D HN 0.069 nan 8.370 nan 0.000 0.494 321 D N 0.697 121.162 120.400 0.108 0.000 2.402 321 D HA 0.047 4.687 4.640 -0.000 0.000 0.235 321 D C 1.033 177.432 176.300 0.165 0.000 1.226 321 D CA -0.336 53.754 54.000 0.149 0.000 0.918 321 D CB 0.611 41.520 40.800 0.181 0.000 1.043 321 D HN -0.119 nan 8.370 nan 0.000 0.506 322 R N 2.760 123.375 120.500 0.192 0.000 2.235 322 R HA -0.092 4.248 4.340 -0.000 0.000 0.213 322 R C 1.159 177.632 176.300 0.289 0.000 1.059 322 R CA 0.417 56.642 56.100 0.208 0.000 0.997 322 R CB -0.223 30.203 30.300 0.210 0.000 0.884 322 R HN 0.453 nan 8.270 nan 0.000 0.462 323 F N 0.418 120.473 119.950 0.175 0.000 2.727 323 F HA 0.224 4.751 4.527 -0.000 0.000 0.302 323 F C 1.792 177.678 175.800 0.142 0.000 1.097 323 F CA -0.524 57.598 58.000 0.202 0.000 1.330 323 F CB 0.013 39.194 39.000 0.303 0.000 1.084 323 F HN -0.182 nan 8.300 nan 0.000 0.578 324 I N -0.318 120.280 120.570 0.047 0.000 2.756 324 I HA -0.109 4.061 4.170 -0.000 0.000 0.262 324 I C 2.354 178.213 176.117 -0.429 0.000 1.225 324 I CA 1.281 62.394 61.300 -0.311 0.000 1.472 324 I CB -0.549 37.329 38.000 -0.203 0.000 1.094 324 I HN 0.193 nan 8.210 nan 0.000 0.454 325 G N 0.114 108.770 108.800 -0.240 0.000 2.479 325 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 325 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 325 G C 1.712 176.447 174.900 -0.276 0.000 1.115 325 G CA 0.919 45.930 45.100 -0.148 0.000 0.757 325 G HN 0.564 nan 8.290 nan 0.000 0.560 326 S N 0.537 115.909 115.700 -0.547 0.000 2.442 326 S HA -0.072 4.397 4.470 -0.000 0.000 0.236 326 S C 1.987 176.252 174.600 -0.558 0.000 1.007 326 S CA 1.361 59.192 58.200 -0.615 0.000 0.965 326 S CB -0.235 62.341 63.200 -1.039 0.000 0.773 326 S HN 0.458 nan 8.310 nan 0.000 0.504 327 K N 0.217 120.115 120.400 -0.836 0.000 2.281 327 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 327 K C 0.417 176.522 176.600 -0.824 0.000 1.046 327 K CA 1.514 57.163 56.287 -1.064 0.000 0.938 327 K CB -0.263 31.203 32.500 -1.722 0.000 0.737 327 K HN 0.697 nan 8.250 nan 0.000 0.458 328 Y N -0.362 119.800 120.300 -0.231 0.000 2.660 328 Y HA 0.239 4.789 4.550 -0.000 0.000 0.254 328 Y C 0.021 175.827 175.900 -0.156 0.000 1.176 328 Y CA -0.779 57.215 58.100 -0.177 0.000 1.195 328 Y CB 0.570 38.912 38.460 -0.197 0.000 1.190 328 Y HN -0.165 nan 8.280 nan 0.000 0.535 329 I N 2.787 123.283 120.570 -0.122 0.000 2.337 329 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 329 I C 0.450 176.473 176.117 -0.156 0.000 1.046 329 I CA -0.707 60.473 61.300 -0.201 0.000 1.324 329 I CB -0.386 37.400 38.000 -0.357 0.000 1.409 329 I HN 0.343 nan 8.210 nan 0.000 0.494 330 C N 2.987 122.249 119.300 -0.064 0.000 3.323 330 C HA 0.816 5.276 4.460 -0.000 0.000 0.324 330 C C -0.138 174.982 174.990 0.217 0.000 1.428 330 C CA -0.727 58.318 59.018 0.046 0.000 1.368 330 C CB 1.721 29.485 27.740 0.040 0.000 1.731 330 C HN 0.650 nan 8.230 nan 0.000 0.455 331 S N 2.526 118.358 115.700 0.219 0.000 2.605 331 S HA 0.739 5.209 4.470 -0.000 0.000 0.308 331 S C -2.721 171.824 174.600 -0.093 0.000 1.113 331 S CA -0.337 58.006 58.200 0.238 0.000 1.049 331 S CB 1.713 65.178 63.200 0.441 0.000 1.001 331 S HN 0.800 nan 8.310 nan 0.000 0.480 332 P HA 0.285 nan 4.420 nan 0.000 0.272 332 P C -2.806 174.554 177.300 0.099 0.000 1.240 332 P CA -1.570 61.492 63.100 -0.065 0.000 0.791 332 P CB -0.630 30.932 31.700 -0.229 0.000 0.978 333 P HA 0.148 nan 4.420 nan 0.000 0.269 333 P C 0.260 177.679 177.300 0.198 0.000 1.215 333 P CA 0.059 63.262 63.100 0.172 0.000 0.780 333 P CB 0.404 32.109 31.700 0.007 0.000 0.898 334 I N 2.794 123.500 120.570 0.228 0.000 2.741 334 I HA -0.040 4.130 4.170 -0.000 0.000 0.288 334 I C 1.609 177.788 176.117 0.104 0.000 1.192 334 I CA 0.454 61.876 61.300 0.204 0.000 1.426 334 I CB 0.068 38.127 38.000 0.098 0.000 1.367 334 I HN 0.138 nan 8.210 nan 0.000 0.563 335 R N 6.968 127.527 120.500 0.098 0.000 2.543 335 R HA 0.449 4.789 4.340 -0.000 0.000 0.268 335 R C -2.316 174.006 176.300 0.037 0.000 1.067 335 R CA -2.082 54.039 56.100 0.034 0.000 1.142 335 R CB -0.061 30.245 30.300 0.011 0.000 1.110 335 R HN 0.229 nan 8.270 nan 0.000 0.549 336 P HA -0.054 nan 4.420 nan 0.000 0.269 336 P C -0.206 177.121 177.300 0.045 0.000 1.217 336 P CA 0.028 63.151 63.100 0.038 0.000 0.783 336 P CB 0.376 32.093 31.700 0.027 0.000 0.898 337 E N 0.837 121.067 120.200 0.049 0.000 2.568 337 E HA 0.036 4.386 4.350 -0.000 0.000 0.262 337 E C 1.396 178.025 176.600 0.047 0.000 0.961 337 E CA 1.909 58.340 56.400 0.051 0.000 0.945 337 E CB -0.192 29.535 29.700 0.045 0.000 0.924 337 E HN 0.816 nan 8.360 nan 0.000 0.467 338 G N 2.995 111.829 108.800 0.056 0.000 2.213 338 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 338 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 338 G C 1.111 176.047 174.900 0.060 0.000 0.992 338 G CA 0.414 45.546 45.100 0.055 0.000 0.632 338 G HN 0.518 nan 8.290 nan 0.000 0.511 339 T N 0.706 115.296 114.554 0.059 0.000 3.009 339 T HA 0.071 4.421 4.350 -0.000 0.000 0.258 339 T C 2.259 177.007 174.700 0.081 0.000 1.063 339 T CA 1.782 63.916 62.100 0.056 0.000 1.139 339 T CB -0.057 68.834 68.868 0.037 0.000 0.890 339 T HN 0.330 nan 8.240 nan 0.000 0.471 340 Q N 1.434 121.294 119.800 0.100 0.000 2.170 340 Q HA 0.035 4.375 4.340 -0.000 0.000 0.203 340 Q C 2.178 178.294 176.000 0.194 0.000 0.976 340 Q CA 1.140 57.017 55.803 0.122 0.000 0.858 340 Q CB -0.202 28.625 28.738 0.147 0.000 0.907 340 Q HN 0.345 nan 8.270 nan 0.000 0.433 341 K N 0.115 120.646 120.400 0.220 0.000 2.097 341 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 341 K C 2.061 178.804 176.600 0.239 0.000 1.049 341 K CA 1.473 57.925 56.287 0.275 0.000 0.933 341 K CB -0.098 32.509 32.500 0.179 0.000 0.717 341 K HN 0.364 nan 8.250 nan 0.000 0.442 342 S N 0.503 116.298 115.700 0.159 0.000 2.447 342 S HA -0.074 4.396 4.470 -0.000 0.000 0.233 342 S C 1.870 176.579 174.600 0.182 0.000 1.006 342 S CA 0.544 58.825 58.200 0.136 0.000 0.957 342 S CB -0.235 63.016 63.200 0.085 0.000 0.773 342 S HN 0.144 nan 8.310 nan 0.000 0.507 343 I N 0.443 121.120 120.570 0.179 0.000 2.286 343 I HA -0.009 4.161 4.170 -0.000 0.000 0.245 343 I C 2.234 178.480 176.117 0.215 0.000 1.104 343 I CA 0.590 62.016 61.300 0.210 0.000 1.397 343 I CB -1.745 36.235 38.000 -0.033 0.000 1.072 343 I HN 0.385 nan 8.210 nan 0.000 0.417 344 W N 1.844 123.256 121.300 0.187 0.000 2.355 344 W HA -0.174 4.486 4.660 -0.000 0.000 0.309 344 W C 2.674 179.271 176.519 0.130 0.000 1.206 344 W CA 0.890 58.325 57.345 0.150 0.000 1.284 344 W CB -0.352 29.170 29.460 0.103 0.000 1.145 344 W HN 0.041 nan 8.180 nan 0.000 0.502 345 K N -0.257 120.338 120.400 0.324 0.000 2.103 345 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 345 K C 2.324 178.982 176.600 0.097 0.000 1.048 345 K CA 1.399 57.791 56.287 0.174 0.000 0.930 345 K CB -0.920 31.647 32.500 0.112 0.000 0.716 345 K HN 0.279 nan 8.250 nan 0.000 0.444 346 G N 1.183 110.028 108.800 0.075 0.000 2.422 346 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 346 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 346 G C 1.466 176.319 174.900 -0.078 0.000 1.146 346 G CA 0.692 45.649 45.100 -0.237 0.000 0.769 346 G HN 0.148 nan 8.290 nan 0.000 0.547 347 M N 0.500 120.295 119.600 0.325 0.000 2.175 347 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 347 M C 2.218 178.630 176.300 0.188 0.000 1.063 347 M CA 0.912 56.411 55.300 0.332 0.000 1.119 347 M CB -0.209 32.594 32.600 0.339 0.000 1.377 347 M HN 0.129 nan 8.290 nan 0.000 0.415 348 N N 0.874 119.673 118.700 0.164 0.000 2.290 348 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 348 N C 1.195 176.733 175.510 0.046 0.000 1.016 348 N CA 1.282 54.396 53.050 0.105 0.000 0.871 348 N CB -0.553 37.999 38.487 0.109 0.000 0.987 348 N HN 0.480 nan 8.380 nan 0.000 0.431 349 N N -0.270 118.438 118.700 0.014 0.000 2.398 349 N HA 0.080 4.820 4.740 -0.000 0.000 0.188 349 N C 1.023 176.508 175.510 -0.041 0.000 1.122 349 N CA 0.905 53.943 53.050 -0.020 0.000 0.866 349 N CB 0.093 38.559 38.487 -0.035 0.000 0.970 349 N HN 0.176 nan 8.380 nan 0.000 0.462 350 G N -1.560 107.216 108.800 -0.041 0.000 2.176 350 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.232 350 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.232 350 G C 1.014 175.860 174.900 -0.090 0.000 0.986 350 G CA 0.492 45.570 45.100 -0.038 0.000 0.643 350 G HN 0.347 nan 8.290 nan 0.000 0.522 351 T N 0.395 114.810 114.554 -0.232 0.000 2.708 351 T HA 0.094 4.444 4.350 -0.000 0.000 0.266 351 T C 0.942 175.426 174.700 -0.359 0.000 1.037 351 T CA 1.246 63.099 62.100 -0.412 0.000 1.146 351 T CB -0.172 68.234 68.868 -0.770 0.000 0.865 351 T HN 0.380 nan 8.240 nan 0.000 0.435 352 F N 1.611 121.591 119.950 0.050 0.000 2.391 352 F HA 0.298 4.825 4.527 -0.000 0.000 0.359 352 F C 1.577 177.407 175.800 0.050 0.000 1.122 352 F CA -1.023 57.011 58.000 0.056 0.000 1.120 352 F CB 1.106 40.133 39.000 0.046 0.000 1.142 352 F HN -0.088 nan 8.300 nan 0.000 0.483 353 T N 3.392 118.083 114.554 0.228 0.000 2.812 353 T HA 0.027 4.376 4.350 -0.000 0.000 0.264 353 T C 0.601 175.343 174.700 0.070 0.000 1.042 353 T CA 0.990 63.152 62.100 0.103 0.000 1.140 353 T CB -0.104 68.794 68.868 0.049 0.000 0.870 353 T HN 0.552 nan 8.240 nan 0.000 0.445 354 I N -2.167 118.467 120.570 0.106 0.000 3.074 354 I HA 0.777 4.947 4.170 -0.000 0.000 0.310 354 I C -1.697 174.479 176.117 0.100 0.000 1.153 354 I CA -1.591 59.758 61.300 0.082 0.000 0.993 354 I CB 2.452 40.487 38.000 0.059 0.000 1.237 354 I HN -0.322 nan 8.210 nan 0.000 0.443 355 V N 2.418 122.381 119.914 0.081 0.000 2.531 355 V HA 0.821 4.941 4.120 -0.000 0.000 0.301 355 V C 0.423 176.567 176.094 0.084 0.000 1.034 355 V CA -0.071 62.260 62.300 0.052 0.000 0.865 355 V CB 1.212 33.050 31.823 0.025 0.000 0.995 355 V HN 1.066 nan 8.190 nan 0.000 0.424 356 G N 1.987 110.847 108.800 0.101 0.000 2.788 356 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 356 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 356 G C 0.642 175.597 174.900 0.091 0.000 1.305 356 G CA 0.268 45.453 45.100 0.142 0.000 1.005 356 G HN 0.766 nan 8.290 nan 0.000 0.496 357 S N -1.735 114.029 115.700 0.108 0.000 2.499 357 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 357 S C 0.841 175.467 174.600 0.043 0.000 1.050 357 S CA 1.213 59.463 58.200 0.084 0.000 0.928 357 S CB 0.104 63.385 63.200 0.134 0.000 0.803 357 S HN 0.736 nan 8.310 nan 0.000 0.506 358 D N 1.255 121.644 120.400 -0.019 0.000 2.772 358 D HA -0.233 4.407 4.640 -0.000 0.000 0.233 358 D C -0.218 176.194 176.300 0.187 0.000 1.143 358 D CA 0.748 54.686 54.000 -0.103 0.000 0.700 358 D CB -2.503 38.195 40.800 -0.171 0.000 1.076 358 D HN 0.858 nan 8.370 nan 0.000 0.430 359 H N 0.174 119.336 119.070 0.152 0.000 3.145 359 H HA 0.330 4.886 4.556 -0.000 0.000 0.288 359 H C -0.561 174.887 175.328 0.201 0.000 0.969 359 H CA 0.889 57.020 56.048 0.138 0.000 1.444 359 H CB 0.259 30.089 29.762 0.112 0.000 1.500 359 H HN 0.263 nan 8.280 nan 0.000 0.552 360 C N 5.595 124.717 119.300 -0.296 0.000 2.833 360 C HA 0.396 4.856 4.460 -0.000 0.000 0.383 360 C C -1.110 173.596 174.990 -0.473 0.000 1.058 360 C CA -0.485 58.366 59.018 -0.278 0.000 1.259 360 C CB -0.219 27.483 27.740 -0.063 0.000 1.726 360 C HN 0.900 nan 8.230 nan 0.000 0.484 361 S N 4.534 119.833 115.700 -0.668 0.000 2.449 361 S HA 0.792 5.262 4.470 -0.000 0.000 0.310 361 S C -1.462 172.725 174.600 -0.687 0.000 1.096 361 S CA -0.307 57.548 58.200 -0.575 0.000 1.095 361 S CB 0.858 63.761 63.200 -0.496 0.000 1.007 361 S HN 0.688 nan 8.310 nan 0.000 0.474 362 Y N 0.975 121.257 120.300 -0.030 0.000 2.421 362 Y HA 0.373 4.922 4.550 -0.000 0.000 0.339 362 Y C 0.272 176.262 175.900 0.150 0.000 0.996 362 Y CA -1.234 56.891 58.100 0.042 0.000 1.046 362 Y CB 1.148 39.632 38.460 0.040 0.000 1.226 362 Y HN 0.483 nan 8.280 nan 0.000 0.445 363 N N 1.274 120.133 118.700 0.265 0.000 2.441 363 N HA -0.082 4.658 4.740 -0.000 0.000 0.251 363 N C -0.003 175.674 175.510 0.279 0.000 1.242 363 N CA 0.372 53.583 53.050 0.268 0.000 0.898 363 N CB 0.631 39.222 38.487 0.174 0.000 1.100 363 N HN 0.813 nan 8.380 nan 0.000 0.443 364 Y N 0.708 121.050 120.300 0.070 0.000 2.581 364 Y HA 0.177 4.727 4.550 -0.000 0.000 0.271 364 Y C 0.870 176.656 175.900 -0.190 0.000 1.100 364 Y CA 0.521 58.515 58.100 -0.176 0.000 1.281 364 Y CB 0.170 38.200 38.460 -0.716 0.000 1.237 364 Y HN 0.564 nan 8.280 nan 0.000 0.514 365 Y N 1.029 121.393 120.300 0.106 0.000 2.466 365 Y HA 0.166 4.716 4.550 -0.000 0.000 0.272 365 Y C -0.032 175.830 175.900 -0.063 0.000 1.169 365 Y CA -0.143 57.961 58.100 0.006 0.000 1.285 365 Y CB 0.119 38.631 38.460 0.086 0.000 1.078 365 Y HN 0.108 nan 8.280 nan 0.000 0.523 366 E N -0.884 119.343 120.200 0.045 0.000 2.238 366 E HA 0.396 4.746 4.350 -0.000 0.000 0.267 366 E C -0.402 176.139 176.600 -0.097 0.000 0.887 366 E CA -0.856 55.527 56.400 -0.028 0.000 0.769 366 E CB 1.688 31.401 29.700 0.022 0.000 1.187 366 E HN -0.012 nan 8.360 nan 0.000 0.416 367 K N 0.860 121.153 120.400 -0.177 0.000 2.380 367 K HA 0.064 4.384 4.320 -0.000 0.000 0.198 367 K C 1.047 177.596 176.600 -0.084 0.000 1.070 367 K CA 0.865 57.011 56.287 -0.234 0.000 1.040 367 K CB 0.703 32.908 32.500 -0.492 0.000 0.903 367 K HN 0.751 nan 8.250 nan 0.000 0.549 368 T N -1.267 113.250 114.554 -0.061 0.000 3.044 368 T HA -0.005 4.345 4.350 -0.000 0.000 0.255 368 T C 1.289 175.987 174.700 -0.003 0.000 1.073 368 T CA 0.004 62.082 62.100 -0.036 0.000 1.125 368 T CB -0.033 68.810 68.868 -0.041 0.000 0.908 368 T HN 0.062 nan 8.240 nan 0.000 0.480 369 S N 2.090 117.799 115.700 0.015 0.000 2.600 369 S HA 0.224 4.694 4.470 -0.000 0.000 0.265 369 S C 1.499 176.126 174.600 0.046 0.000 1.325 369 S CA 0.088 58.307 58.200 0.031 0.000 1.002 369 S CB 0.898 64.123 63.200 0.041 0.000 0.921 369 S HN 0.500 nan 8.310 nan 0.000 0.554 370 T N -2.143 112.439 114.554 0.047 0.000 3.113 370 T HA 0.206 4.556 4.350 -0.000 0.000 0.263 370 T C 1.066 175.823 174.700 0.094 0.000 1.143 370 T CA 0.451 62.582 62.100 0.052 0.000 1.090 370 T CB -0.409 68.484 68.868 0.041 0.000 0.922 370 T HN 0.929 nan 8.240 nan 0.000 0.521 371 A N 0.656 123.549 122.820 0.121 0.000 2.535 371 A HA 0.600 4.920 4.320 -0.000 0.000 0.273 371 A C 0.918 178.654 177.584 0.255 0.000 1.267 371 A CA -0.461 51.702 52.037 0.209 0.000 0.940 371 A CB 0.045 19.127 19.000 0.135 0.000 1.101 371 A HN 0.412 nan 8.150 nan 0.000 0.521 372 S N -0.178 115.628 115.700 0.177 0.000 2.554 372 S HA 0.302 4.772 4.470 -0.000 0.000 0.278 372 S C 1.096 175.787 174.600 0.152 0.000 1.242 372 S CA -0.599 57.710 58.200 0.181 0.000 1.051 372 S CB 0.694 63.980 63.200 0.144 0.000 0.986 372 S HN 0.318 nan 8.310 nan 0.000 0.502 373 K N 2.393 122.896 120.400 0.170 0.000 2.152 373 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 373 K C 1.265 177.963 176.600 0.162 0.000 1.048 373 K CA 1.406 57.745 56.287 0.087 0.000 0.933 373 K CB -0.418 32.128 32.500 0.077 0.000 0.721 373 K HN 0.717 nan 8.250 nan 0.000 0.447 374 H N 0.043 119.236 119.070 0.205 0.000 2.556 374 H HA 0.018 4.574 4.556 -0.000 0.000 0.268 374 H C 1.929 177.321 175.328 0.105 0.000 0.996 374 H CA 0.202 56.345 56.048 0.157 0.000 1.157 374 H CB 0.112 29.843 29.762 -0.052 0.000 1.355 374 H HN 0.179 nan 8.280 nan 0.000 0.597 375 R N 1.476 122.055 120.500 0.131 0.000 2.226 375 R HA -0.146 4.194 4.340 -0.000 0.000 0.246 375 R C 1.995 178.286 176.300 -0.016 0.000 1.161 375 R CA 1.004 57.126 56.100 0.037 0.000 0.997 375 R CB -0.076 30.219 30.300 -0.009 0.000 0.870 375 R HN 0.265 nan 8.270 nan 0.000 0.465 376 A N 0.190 123.001 122.820 -0.015 0.000 2.121 376 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 376 A C 0.322 177.672 177.584 -0.390 0.000 1.154 376 A CA 0.524 52.474 52.037 -0.145 0.000 0.679 376 A CB -0.130 18.826 19.000 -0.075 0.000 0.795 376 A HN 0.233 nan 8.150 nan 0.000 0.458 377 F N 0.431 120.270 119.950 -0.185 0.000 2.350 377 F HA 0.428 4.955 4.527 -0.000 0.000 0.365 377 F C 0.115 175.819 175.800 -0.160 0.000 1.122 377 F CA -0.732 57.152 58.000 -0.192 0.000 1.139 377 F CB 1.005 39.872 39.000 -0.222 0.000 1.220 377 F HN 0.001 nan 8.300 nan 0.000 0.499 378 D N 5.459 125.824 120.400 -0.060 0.000 2.668 378 D HA 0.217 4.857 4.640 -0.000 0.000 0.247 378 D C -2.182 174.052 176.300 -0.110 0.000 1.268 378 D CA -1.750 52.197 54.000 -0.088 0.000 0.842 378 D CB 1.390 42.106 40.800 -0.141 0.000 1.399 378 D HN 0.088 nan 8.370 nan 0.000 0.530 379 P HA -0.128 nan 4.420 nan 0.000 0.219 379 P C 1.161 178.416 177.300 -0.075 0.000 1.146 379 P CA 0.971 64.033 63.100 -0.062 0.000 0.808 379 P CB 0.191 31.872 31.700 -0.031 0.000 0.779 380 E N -1.328 118.829 120.200 -0.071 0.000 2.427 380 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 380 E C 0.621 177.171 176.600 -0.083 0.000 1.028 380 E CA 0.621 56.981 56.400 -0.066 0.000 0.864 380 E CB -0.644 29.024 29.700 -0.054 0.000 0.813 380 E HN 0.134 nan 8.360 nan 0.000 0.514 381 N N 1.327 119.957 118.700 -0.117 0.000 2.338 381 N HA 0.094 4.834 4.740 -0.000 0.000 0.251 381 N C -0.818 174.572 175.510 -0.201 0.000 1.199 381 N CA -0.163 52.801 53.050 -0.145 0.000 0.879 381 N CB 0.311 38.703 38.487 -0.158 0.000 1.159 381 N HN 0.124 nan 8.380 nan 0.000 0.514 382 N N 0.678 119.277 118.700 -0.168 0.000 2.727 382 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 382 N C -0.945 174.381 175.510 -0.307 0.000 1.048 382 N CA 0.922 53.869 53.050 -0.171 0.000 0.714 382 N CB -0.829 37.591 38.487 -0.112 0.000 0.959 382 N HN 0.421 nan 8.380 nan 0.000 0.544 383 K N 0.721 120.895 120.400 -0.378 0.000 2.413 383 K HA 0.334 4.654 4.320 -0.000 0.000 0.257 383 K C 0.042 176.467 176.600 -0.291 0.000 0.946 383 K CA -0.545 55.403 56.287 -0.565 0.000 0.823 383 K CB 1.262 33.291 32.500 -0.785 0.000 1.109 383 K HN 0.063 nan 8.250 nan 0.000 0.427 384 N N 1.896 120.462 118.700 -0.224 0.000 2.517 384 N HA 0.106 4.846 4.740 -0.000 0.000 0.285 384 N C 0.339 175.581 175.510 -0.446 0.000 1.528 384 N CA 0.187 53.126 53.050 -0.185 0.000 0.892 384 N CB 1.637 40.097 38.487 -0.044 0.000 1.356 384 N HN 1.008 nan 8.380 nan 0.000 0.495 385 G N 0.998 109.279 108.800 -0.865 0.000 2.175 385 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 385 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 385 G C -0.064 174.679 174.900 -0.262 0.000 0.982 385 G CA -0.233 44.152 45.100 -1.192 0.000 0.641 385 G HN 0.352 nan 8.290 nan 0.000 0.527 386 E N -0.043 120.093 120.200 -0.106 0.000 2.442 386 E HA 0.377 4.727 4.350 -0.000 0.000 0.262 386 E C 1.426 177.950 176.600 -0.127 0.000 1.004 386 E CA 0.136 56.477 56.400 -0.099 0.000 0.928 386 E CB 0.013 29.584 29.700 -0.216 0.000 0.937 386 E HN 0.541 nan 8.360 nan 0.000 0.446 387 F N 2.248 122.192 119.950 -0.011 0.000 2.192 387 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 387 F C 2.026 177.773 175.800 -0.087 0.000 1.079 387 F CA 1.209 59.200 58.000 -0.014 0.000 1.303 387 F CB -0.292 38.743 39.000 0.058 0.000 1.024 387 F HN 0.375 nan 8.300 nan 0.000 0.494 388 R N 0.075 120.126 120.500 -0.748 0.000 2.133 388 R HA -0.233 4.106 4.340 -0.000 0.000 0.247 388 R C 1.416 177.419 176.300 -0.495 0.000 1.151 388 R CA 2.266 57.958 56.100 -0.681 0.000 0.971 388 R CB -0.690 28.940 30.300 -1.117 0.000 0.866 388 R HN 0.548 nan 8.270 nan 0.000 0.447 389 Y N -0.386 119.817 120.300 -0.162 0.000 2.457 389 Y HA 0.261 4.811 4.550 -0.000 0.000 0.263 389 Y C 0.418 176.244 175.900 -0.124 0.000 1.164 389 Y CA -0.744 57.269 58.100 -0.146 0.000 1.274 389 Y CB 0.459 38.811 38.460 -0.181 0.000 1.097 389 Y HN -0.091 nan 8.280 nan 0.000 0.523 390 I N 4.858 125.432 120.570 0.008 0.000 2.517 390 I HA 0.068 4.237 4.170 -0.000 0.000 0.285 390 I C -2.087 173.933 176.117 -0.163 0.000 1.106 390 I CA -2.038 59.233 61.300 -0.047 0.000 1.402 390 I CB 0.463 38.408 38.000 -0.091 0.000 1.399 390 I HN -0.136 nan 8.210 nan 0.000 0.535 391 P HA -0.004 nan 4.420 nan 0.000 0.262 391 P C -0.886 176.186 177.300 -0.379 0.000 1.199 391 P CA 0.177 62.955 63.100 -0.537 0.000 0.763 391 P CB 0.240 31.196 31.700 -1.241 0.000 0.790 392 N N 1.879 120.461 118.700 -0.196 0.000 2.488 392 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 392 N C 0.459 176.024 175.510 0.091 0.000 1.111 392 N CA 0.153 53.167 53.050 -0.060 0.000 0.974 392 N CB 0.841 39.335 38.487 0.013 0.000 1.089 392 N HN 0.608 nan 8.380 nan 0.000 0.465 393 G N 1.132 109.977 108.800 0.075 0.000 2.312 393 G HA2 0.159 4.119 3.960 -0.000 0.000 0.347 393 G HA3 0.159 4.119 3.960 -0.000 0.000 0.347 393 G C -1.655 173.266 174.900 0.035 0.000 1.564 393 G CA -0.923 44.227 45.100 0.083 0.000 0.981 393 G HN 0.370 nan 8.290 nan 0.000 0.678 394 L N 0.157 121.359 121.223 -0.034 0.000 2.370 394 L HA 0.646 4.986 4.340 -0.000 0.000 0.266 394 L C -2.515 174.259 176.870 -0.160 0.000 1.002 394 L CA -2.474 52.309 54.840 -0.095 0.000 0.818 394 L CB 2.612 44.615 42.059 -0.093 0.000 1.325 394 L HN 0.275 nan 8.230 nan 0.000 0.418 395 P HA 0.206 nan 4.420 nan 0.000 0.271 395 P C 0.317 177.721 177.300 0.173 0.000 1.216 395 P CA 0.098 63.126 63.100 -0.120 0.000 0.771 395 P CB 1.082 32.715 31.700 -0.111 0.000 0.864 396 G N 1.072 110.133 108.800 0.435 0.000 3.601 396 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.192 396 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.192 396 G C 0.941 175.978 174.900 0.228 0.000 1.184 396 G CA 0.116 45.414 45.100 0.330 0.000 0.891 396 G HN 0.433 nan 8.290 nan 0.000 0.706 397 V N 0.753 120.776 119.914 0.181 0.000 2.392 397 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 397 V C 2.597 178.655 176.094 -0.059 0.000 1.059 397 V CA 2.681 64.939 62.300 -0.071 0.000 1.051 397 V CB -0.221 31.350 31.823 -0.421 0.000 0.658 397 V HN 0.522 nan 8.190 nan 0.000 0.455 398 C N 0.605 119.896 119.300 -0.015 0.000 2.466 398 C HA -0.087 4.373 4.460 -0.000 0.000 0.278 398 C C 3.015 177.990 174.990 -0.024 0.000 1.288 398 C CA 1.737 60.739 59.018 -0.026 0.000 1.722 398 C CB -1.247 26.513 27.740 0.032 0.000 2.017 398 C HN 0.774 nan 8.230 nan 0.000 0.488 399 T N -1.290 113.307 114.554 0.071 0.000 3.085 399 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 399 T C 1.900 176.570 174.700 -0.050 0.000 1.127 399 T CA 0.860 62.987 62.100 0.045 0.000 1.103 399 T CB -0.575 68.344 68.868 0.085 0.000 0.921 399 T HN 0.690 nan 8.240 nan 0.000 0.510 400 R N 0.625 121.110 120.500 -0.025 0.000 2.094 400 R HA -0.088 4.252 4.340 -0.000 0.000 0.239 400 R C 2.346 178.655 176.300 0.015 0.000 1.137 400 R CA 1.720 57.814 56.100 -0.009 0.000 0.943 400 R CB -0.312 29.998 30.300 0.016 0.000 0.850 400 R HN 0.303 nan 8.270 nan 0.000 0.433 401 M N -0.274 119.331 119.600 0.009 0.000 2.077 401 M HA -0.046 4.434 4.480 -0.000 0.000 0.261 401 M C -0.651 175.777 176.300 0.213 0.000 1.070 401 M CA 1.490 56.865 55.300 0.125 0.000 1.125 401 M CB -1.412 31.275 32.600 0.145 0.000 1.339 401 M HN 0.082 nan 8.290 nan 0.000 0.409 402 P HA -0.069 nan 4.420 nan 0.000 0.217 402 P C 1.836 179.264 177.300 0.213 0.000 1.150 402 P CA 1.068 64.253 63.100 0.141 0.000 0.832 402 P CB -0.209 31.348 31.700 -0.239 0.000 0.787 403 L N -1.337 119.972 121.223 0.144 0.000 2.042 403 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 403 L C 2.444 179.498 176.870 0.307 0.000 1.076 403 L CA 1.361 56.321 54.840 0.200 0.000 0.749 403 L CB -0.828 41.203 42.059 -0.047 0.000 0.893 403 L HN -0.010 nan 8.230 nan 0.000 0.432 404 L N -1.956 119.411 121.223 0.241 0.000 2.109 404 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 404 L C 2.534 179.535 176.870 0.217 0.000 1.086 404 L CA 1.265 56.275 54.840 0.283 0.000 0.760 404 L CB -0.586 41.597 42.059 0.207 0.000 0.910 404 L HN 0.261 nan 8.230 nan 0.000 0.437 405 Y N 1.103 121.418 120.300 0.024 0.000 2.097 405 Y HA -0.355 4.195 4.550 -0.000 0.000 0.282 405 Y C 2.538 178.446 175.900 0.014 0.000 1.152 405 Y CA 2.159 60.200 58.100 -0.098 0.000 1.136 405 Y CB 0.070 38.270 38.460 -0.434 0.000 0.975 405 Y HN 0.213 nan 8.280 nan 0.000 0.498 406 D N -0.946 119.641 120.400 0.311 0.000 2.092 406 D HA -0.206 4.434 4.640 -0.000 0.000 0.203 406 D C 1.898 178.151 176.300 -0.078 0.000 0.978 406 D CA 1.821 55.882 54.000 0.101 0.000 0.861 406 D CB -0.746 40.072 40.800 0.031 0.000 1.005 406 D HN 0.384 nan 8.370 nan 0.000 0.450 407 Y N 0.262 120.616 120.300 0.090 0.000 2.421 407 Y HA 0.098 4.648 4.550 -0.000 0.000 0.292 407 Y C 2.231 178.007 175.900 -0.206 0.000 1.136 407 Y CA 1.002 59.110 58.100 0.013 0.000 1.255 407 Y CB -0.233 38.326 38.460 0.165 0.000 0.991 407 Y HN 0.082 nan 8.280 nan 0.000 0.552 408 G N -1.214 107.618 108.800 0.053 0.000 2.610 408 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 408 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 408 G C 1.348 176.168 174.900 -0.133 0.000 1.243 408 G CA 0.580 45.614 45.100 -0.110 0.000 0.847 408 G HN 0.360 nan 8.290 nan 0.000 0.560 409 Y N 1.222 121.402 120.300 -0.199 0.000 2.109 409 Y HA 0.104 4.654 4.550 -0.000 0.000 0.285 409 Y C 2.556 178.310 175.900 -0.244 0.000 1.131 409 Y CA 1.393 59.323 58.100 -0.284 0.000 1.121 409 Y CB -0.531 37.632 38.460 -0.495 0.000 0.987 409 Y HN 0.063 nan 8.280 nan 0.000 0.495 410 L N 0.044 120.920 121.223 -0.578 0.000 2.083 410 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 410 L C 2.398 179.034 176.870 -0.390 0.000 1.083 410 L CA 1.558 56.057 54.840 -0.568 0.000 0.752 410 L CB -0.401 41.523 42.059 -0.225 0.000 0.899 410 L HN 0.163 nan 8.230 nan 0.000 0.433 411 R N -0.492 119.820 120.500 -0.313 0.000 2.310 411 R HA 0.103 4.443 4.340 -0.000 0.000 0.202 411 R C 1.173 177.313 176.300 -0.267 0.000 0.933 411 R CA 0.585 56.526 56.100 -0.265 0.000 1.054 411 R CB 0.317 30.469 30.300 -0.248 0.000 0.985 411 R HN 0.462 nan 8.270 nan 0.000 0.489 412 G N 0.865 109.485 108.800 -0.301 0.000 2.141 412 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 412 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 412 G C 0.526 175.261 174.900 -0.275 0.000 0.982 412 G CA 0.146 45.094 45.100 -0.254 0.000 0.662 412 G HN 0.287 nan 8.290 nan 0.000 0.527 413 N N -0.377 118.055 118.700 -0.446 0.000 2.416 413 N HA 0.116 4.856 4.740 -0.000 0.000 0.177 413 N C 1.092 176.406 175.510 -0.327 0.000 1.036 413 N CA 0.562 53.224 53.050 -0.648 0.000 0.901 413 N CB 0.210 37.724 38.487 -1.622 0.000 0.976 413 N HN 0.492 nan 8.380 nan 0.000 0.444 414 L N 0.748 121.862 121.223 -0.182 0.000 2.343 414 L HA 0.166 4.506 4.340 -0.000 0.000 0.275 414 L C 1.902 178.774 176.870 0.004 0.000 1.056 414 L CA -0.348 54.516 54.840 0.039 0.000 0.804 414 L CB 1.709 43.841 42.059 0.122 0.000 1.203 414 L HN 0.068 nan 8.230 nan 0.000 0.440 415 T N -2.032 112.540 114.554 0.030 0.000 2.788 415 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 415 T C 0.689 175.400 174.700 0.020 0.000 1.044 415 T CA 0.928 63.035 62.100 0.013 0.000 1.139 415 T CB -0.032 68.846 68.868 0.016 0.000 0.867 415 T HN 0.674 nan 8.240 nan 0.000 0.454 416 S N -1.470 114.243 115.700 0.021 0.000 2.636 416 S HA 0.489 4.959 4.470 -0.000 0.000 0.266 416 S C 0.487 175.001 174.600 -0.144 0.000 1.147 416 S CA -0.863 57.332 58.200 -0.007 0.000 0.815 416 S CB 0.833 64.004 63.200 -0.047 0.000 1.119 416 S HN -0.095 nan 8.310 nan 0.000 0.470 417 M N 0.671 120.021 119.600 -0.418 0.000 2.213 417 M HA 0.022 4.502 4.480 -0.000 0.000 0.263 417 M C 1.940 178.015 176.300 -0.374 0.000 1.062 417 M CA 1.681 56.575 55.300 -0.675 0.000 1.105 417 M CB -1.496 30.422 32.600 -1.137 0.000 1.385 417 M HN 0.777 nan 8.290 nan 0.000 0.417 418 M N -0.718 118.737 119.600 -0.242 0.000 2.175 418 M HA -0.209 4.271 4.480 -0.000 0.000 0.264 418 M C 2.121 178.370 176.300 -0.084 0.000 1.063 418 M CA 1.515 56.734 55.300 -0.135 0.000 1.119 418 M CB -0.390 32.158 32.600 -0.085 0.000 1.377 418 M HN 0.046 nan 8.290 nan 0.000 0.415 419 K N 0.985 121.345 120.400 -0.066 0.000 2.097 419 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 419 K C 1.776 178.370 176.600 -0.011 0.000 1.049 419 K CA 1.058 57.335 56.287 -0.017 0.000 0.933 419 K CB -0.265 32.244 32.500 0.015 0.000 0.717 419 K HN 0.244 nan 8.250 nan 0.000 0.442 420 L N 0.110 121.300 121.223 -0.054 0.000 1.989 420 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 420 L C 1.949 178.800 176.870 -0.032 0.000 1.071 420 L CA 1.463 56.274 54.840 -0.048 0.000 0.749 420 L CB -0.275 41.691 42.059 -0.155 0.000 0.890 420 L HN 0.038 nan 8.230 nan 0.000 0.431 421 V N -0.038 119.837 119.914 -0.065 0.000 2.343 421 V HA -0.307 3.812 4.120 -0.000 0.000 0.247 421 V C 2.491 178.587 176.094 0.003 0.000 1.051 421 V CA 2.099 64.385 62.300 -0.022 0.000 1.036 421 V CB -0.708 31.093 31.823 -0.037 0.000 0.654 421 V HN 0.599 nan 8.190 nan 0.000 0.451 422 E N 0.640 120.836 120.200 -0.007 0.000 2.070 422 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 422 E C 2.115 178.721 176.600 0.009 0.000 1.004 422 E CA 2.409 58.808 56.400 -0.001 0.000 0.805 422 E CB -0.173 29.524 29.700 -0.005 0.000 0.744 422 E HN 0.789 nan 8.360 nan 0.000 0.451 423 I N -2.222 118.364 120.570 0.028 0.000 3.030 423 I HA -0.038 4.132 4.170 -0.000 0.000 0.270 423 I C 1.892 178.041 176.117 0.052 0.000 1.211 423 I CA 0.375 61.703 61.300 0.047 0.000 1.479 423 I CB -0.031 38.017 38.000 0.080 0.000 1.105 423 I HN -0.013 nan 8.210 nan 0.000 0.447 424 Q N 0.540 120.371 119.800 0.051 0.000 2.339 424 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 424 Q C 1.778 177.815 176.000 0.061 0.000 0.925 424 Q CA 1.145 56.985 55.803 0.062 0.000 0.898 424 Q CB 0.810 29.590 28.738 0.070 0.000 1.013 424 Q HN 0.665 nan 8.270 nan 0.000 0.504 425 C N -1.639 117.693 119.300 0.053 0.000 2.726 425 C HA 0.155 4.615 4.460 -0.000 0.000 0.380 425 C C 2.568 177.593 174.990 0.059 0.000 1.691 425 C CA 0.216 59.269 59.018 0.059 0.000 2.388 425 C CB -0.208 27.570 27.740 0.063 0.000 2.227 425 C HN 0.335 nan 8.230 nan 0.000 0.647 426 T N 2.116 116.697 114.554 0.046 0.000 2.770 426 T HA -0.087 4.263 4.350 -0.000 0.000 0.258 426 T C 1.574 176.262 174.700 -0.020 0.000 1.039 426 T CA 1.549 63.676 62.100 0.044 0.000 1.143 426 T CB -0.423 68.465 68.868 0.033 0.000 0.866 426 T HN 0.340 nan 8.240 nan 0.000 0.428 427 N N 1.485 120.154 118.700 -0.053 0.000 2.104 427 N HA -0.055 4.685 4.740 -0.000 0.000 0.190 427 N C -1.045 174.381 175.510 -0.139 0.000 1.024 427 N CA 1.222 54.197 53.050 -0.124 0.000 0.853 427 N CB -1.467 36.955 38.487 -0.109 0.000 1.008 427 N HN 0.318 nan 8.380 nan 0.000 0.424 428 P HA -0.104 nan 4.420 nan 0.000 0.216 428 P C 1.062 178.387 177.300 0.042 0.000 1.153 428 P CA 1.731 64.844 63.100 0.021 0.000 0.858 428 P CB -0.107 31.657 31.700 0.105 0.000 0.789 429 A N -0.237 122.615 122.820 0.054 0.000 1.902 429 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 429 A C 2.140 179.765 177.584 0.068 0.000 1.181 429 A CA 1.922 54.021 52.037 0.102 0.000 0.623 429 A CB -1.079 18.029 19.000 0.179 0.000 0.818 429 A HN 0.143 nan 8.150 nan 0.000 0.443 430 K N -0.953 119.413 120.400 -0.057 0.000 2.057 430 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 430 K C 1.803 178.166 176.600 -0.396 0.000 1.050 430 K CA 1.241 57.402 56.287 -0.210 0.000 0.935 430 K CB -0.334 31.938 32.500 -0.379 0.000 0.715 430 K HN 0.251 nan 8.250 nan 0.000 0.439 431 V N 0.263 119.892 119.914 -0.474 0.000 2.871 431 V HA -0.138 3.982 4.120 -0.000 0.000 0.256 431 V C 0.531 176.256 176.094 -0.617 0.000 1.082 431 V CA 1.302 63.189 62.300 -0.688 0.000 1.105 431 V CB -0.132 31.169 31.823 -0.868 0.000 0.713 431 V HN 0.295 nan 8.190 nan 0.000 0.473 432 Y N -0.342 119.883 120.300 -0.126 0.000 2.681 432 Y HA 0.467 5.017 4.550 -0.000 0.000 0.267 432 Y C 1.539 177.397 175.900 -0.071 0.000 1.166 432 Y CA 0.107 58.162 58.100 -0.076 0.000 1.209 432 Y CB 0.599 39.046 38.460 -0.023 0.000 1.161 432 Y HN 0.268 nan 8.280 nan 0.000 0.534 433 G N 1.127 109.954 108.800 0.045 0.000 2.221 433 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 433 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 433 G C 0.394 175.337 174.900 0.072 0.000 1.041 433 G CA 0.597 45.733 45.100 0.060 0.000 0.807 433 G HN 0.502 nan 8.290 nan 0.000 0.502 434 M N -1.204 118.449 119.600 0.089 0.000 2.346 434 M HA 0.334 4.814 4.480 -0.000 0.000 0.280 434 M C 0.492 176.851 176.300 0.098 0.000 1.075 434 M CA -0.285 55.048 55.300 0.056 0.000 0.989 434 M CB 0.630 33.246 32.600 0.026 0.000 1.447 434 M HN 0.302 nan 8.290 nan 0.000 0.511 435 Y N 2.545 122.868 120.300 0.038 0.000 2.323 435 Y HA 0.357 4.907 4.550 -0.000 0.000 0.331 435 Y C -1.709 174.225 175.900 0.056 0.000 1.092 435 Y CA -1.774 56.362 58.100 0.061 0.000 1.150 435 Y CB 1.067 39.602 38.460 0.124 0.000 1.200 435 Y HN -0.003 nan 8.280 nan 0.000 0.472 436 P HA 0.017 nan 4.420 nan 0.000 0.268 436 P C 0.779 177.821 177.300 -0.429 0.000 1.329 436 P CA 0.332 62.767 63.100 -1.109 0.000 0.899 436 P CB 0.389 31.436 31.700 -1.088 0.000 1.378 437 Q N 0.567 120.233 119.800 -0.225 0.000 2.152 437 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 437 Q C 0.006 175.951 176.000 -0.091 0.000 0.985 437 Q CA 1.383 57.108 55.803 -0.129 0.000 0.863 437 Q CB 0.120 28.804 28.738 -0.090 0.000 0.904 437 Q HN 0.116 nan 8.270 nan 0.000 0.422 438 K N -2.745 117.620 120.400 -0.057 0.000 2.395 438 K HA 0.484 4.804 4.320 -0.000 0.000 0.247 438 K C -0.140 176.502 176.600 0.071 0.000 0.973 438 K CA 0.335 56.622 56.287 0.000 0.000 0.828 438 K CB 1.973 34.478 32.500 0.008 0.000 1.272 438 K HN 0.104 nan 8.250 nan 0.000 0.439 439 G N -0.205 108.645 108.800 0.083 0.000 2.259 439 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 439 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 439 G C 0.160 175.141 174.900 0.134 0.000 1.001 439 G CA 0.266 45.447 45.100 0.134 0.000 0.627 439 G HN 0.543 nan 8.290 nan 0.000 0.501 440 S N -1.073 114.696 115.700 0.115 0.000 2.900 440 S HA 0.802 5.272 4.470 -0.000 0.000 0.320 440 S C -0.553 174.078 174.600 0.052 0.000 1.130 440 S CA -0.482 57.781 58.200 0.105 0.000 0.863 440 S CB 1.369 64.665 63.200 0.160 0.000 1.295 440 S HN 0.522 nan 8.310 nan 0.000 0.596 441 I N 2.182 122.783 120.570 0.052 0.000 2.750 441 I HA 0.353 4.523 4.170 -0.000 0.000 0.279 441 I C -1.502 174.630 176.117 0.026 0.000 1.206 441 I CA 0.032 61.349 61.300 0.029 0.000 1.101 441 I CB 0.172 38.190 38.000 0.030 0.000 1.431 441 I HN 0.135 nan 8.210 nan 0.000 0.551 442 L N 5.716 126.939 121.223 0.001 0.000 2.316 442 L HA 0.517 4.857 4.340 -0.000 0.000 0.280 442 L C -2.486 174.372 176.870 -0.020 0.000 1.006 442 L CA -1.964 52.871 54.840 -0.007 0.000 0.836 442 L CB 1.316 43.355 42.059 -0.033 0.000 1.221 442 L HN 0.109 nan 8.230 nan 0.000 0.418 443 P HA 0.067 nan 4.420 nan 0.000 0.264 443 P C 0.971 178.261 177.300 -0.016 0.000 1.193 443 P CA 0.673 63.764 63.100 -0.015 0.000 0.763 443 P CB 0.955 32.651 31.700 -0.006 0.000 0.810 444 G N 1.563 110.354 108.800 -0.014 0.000 2.234 444 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 444 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 444 G C 0.705 175.587 174.900 -0.030 0.000 0.987 444 G CA 0.423 45.515 45.100 -0.013 0.000 0.625 444 G HN 0.434 nan 8.290 nan 0.000 0.532 445 V N 0.082 119.970 119.914 -0.044 0.000 2.996 445 V HA 0.292 4.412 4.120 -0.000 0.000 0.235 445 V C 1.603 177.648 176.094 -0.081 0.000 1.205 445 V CA 1.277 63.535 62.300 -0.071 0.000 1.225 445 V CB 0.493 32.258 31.823 -0.097 0.000 0.995 445 V HN 0.309 nan 8.190 nan 0.000 0.484 446 S N 1.525 117.182 115.700 -0.071 0.000 2.531 446 S HA 0.177 4.647 4.470 -0.000 0.000 0.279 446 S C -0.365 174.207 174.600 -0.046 0.000 1.305 446 S CA -0.298 57.863 58.200 -0.065 0.000 1.058 446 S CB 0.360 63.534 63.200 -0.044 0.000 0.899 446 S HN 0.382 nan 8.310 nan 0.000 0.493 447 D N 2.155 122.528 120.400 -0.045 0.000 2.472 447 D HA 0.170 4.810 4.640 -0.000 0.000 0.237 447 D C 0.237 176.523 176.300 -0.023 0.000 1.141 447 D CA 0.201 54.182 54.000 -0.032 0.000 0.875 447 D CB 0.470 41.251 40.800 -0.032 0.000 1.192 447 D HN 0.583 nan 8.370 nan 0.000 0.450 448 A N 2.931 125.740 122.820 -0.019 0.000 3.026 448 A HA 0.096 4.416 4.320 -0.000 0.000 0.272 448 A C -0.457 177.120 177.584 -0.011 0.000 1.782 448 A CA -0.320 51.706 52.037 -0.018 0.000 1.451 448 A CB -0.317 18.672 19.000 -0.019 0.000 1.081 448 A HN 0.240 nan 8.150 nan 0.000 0.611 449 D N 1.579 121.973 120.400 -0.009 0.000 2.443 449 D HA 0.566 5.206 4.640 -0.000 0.000 0.221 449 D C -0.390 175.909 176.300 -0.002 0.000 1.097 449 D CA 0.407 54.405 54.000 -0.004 0.000 0.865 449 D CB 0.978 41.777 40.800 -0.002 0.000 1.034 449 D HN 0.389 nan 8.370 nan 0.000 0.511 450 L N 0.906 122.124 121.223 -0.008 0.000 2.393 450 L HA 0.628 4.968 4.340 -0.000 0.000 0.260 450 L C -0.663 176.189 176.870 -0.031 0.000 1.002 450 L CA -1.191 53.644 54.840 -0.008 0.000 0.818 450 L CB 2.506 44.554 42.059 -0.018 0.000 1.369 450 L HN -0.088 nan 8.230 nan 0.000 0.412 451 V N 2.687 122.582 119.914 -0.033 0.000 2.540 451 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 451 V C -0.367 175.661 176.094 -0.110 0.000 1.035 451 V CA -0.354 61.853 62.300 -0.155 0.000 0.873 451 V CB 2.143 33.791 31.823 -0.293 0.000 0.992 451 V HN 0.474 nan 8.190 nan 0.000 0.428 452 I N 3.846 124.322 120.570 -0.158 0.000 2.355 452 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 452 I C -0.426 175.585 176.117 -0.176 0.000 0.999 452 I CA -0.174 61.091 61.300 -0.058 0.000 1.163 452 I CB 1.228 39.194 38.000 -0.056 0.000 1.316 452 I HN 0.574 nan 8.210 nan 0.000 0.454 453 W N 4.497 125.771 121.300 -0.043 0.000 2.030 453 W HA 0.378 5.038 4.660 -0.000 0.000 0.412 453 W C -0.052 176.345 176.519 -0.203 0.000 1.715 453 W CA 0.018 57.301 57.345 -0.104 0.000 1.895 453 W CB 0.070 29.506 29.460 -0.040 0.000 1.381 453 W HN 0.213 nan 8.180 nan 0.000 0.717 454 Y N 1.200 121.579 120.300 0.131 0.000 2.316 454 Y HA 0.280 4.830 4.550 -0.000 0.000 0.324 454 Y C -1.646 174.253 175.900 -0.003 0.000 1.267 454 Y CA -2.225 55.826 58.100 -0.081 0.000 1.311 454 Y CB -0.361 37.986 38.460 -0.189 0.000 1.267 454 Y HN -0.114 nan 8.280 nan 0.000 0.516 455 P HA 0.047 nan 4.420 nan 0.000 0.276 455 P C -0.292 177.093 177.300 0.141 0.000 1.230 455 P CA 0.047 63.204 63.100 0.095 0.000 0.776 455 P CB 0.932 32.699 31.700 0.111 0.000 0.888 456 D N 0.894 121.367 120.400 0.122 0.000 2.162 456 D HA -0.087 4.553 4.640 -0.000 0.000 0.203 456 D C 0.355 176.722 176.300 0.112 0.000 0.967 456 D CA 1.426 55.521 54.000 0.158 0.000 0.840 456 D CB -0.004 40.929 40.800 0.222 0.000 0.972 456 D HN 0.452 nan 8.370 nan 0.000 0.482 457 D N 0.594 121.042 120.400 0.080 0.000 2.460 457 D HA 0.046 4.686 4.640 -0.000 0.000 0.229 457 D C -0.024 176.318 176.300 0.069 0.000 1.170 457 D CA 0.073 54.111 54.000 0.063 0.000 0.827 457 D CB 0.596 41.421 40.800 0.042 0.000 0.973 457 D HN -0.094 nan 8.370 nan 0.000 0.496 458 S N 0.400 116.163 115.700 0.104 0.000 2.578 458 S HA 0.166 4.636 4.470 -0.000 0.000 0.283 458 S C 1.194 175.847 174.600 0.088 0.000 1.195 458 S CA -0.502 57.768 58.200 0.116 0.000 1.050 458 S CB 1.403 64.730 63.200 0.212 0.000 1.012 458 S HN -0.091 nan 8.310 nan 0.000 0.511 459 K N 2.001 122.432 120.400 0.051 0.000 2.379 459 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 459 K C 0.435 177.028 176.600 -0.011 0.000 1.031 459 K CA 0.096 56.396 56.287 0.021 0.000 1.037 459 K CB 0.016 32.522 32.500 0.009 0.000 0.824 459 K HN 0.492 nan 8.250 nan 0.000 0.516 460 K N 2.259 122.641 120.400 -0.031 0.000 2.382 460 K HA -0.020 4.300 4.320 -0.000 0.000 0.275 460 K C -0.207 176.249 176.600 -0.241 0.000 1.009 460 K CA 0.155 56.344 56.287 -0.163 0.000 0.970 460 K CB 0.527 32.877 32.500 -0.250 0.000 0.934 460 K HN -0.014 nan 8.250 nan 0.000 0.479 461 E N 3.004 123.042 120.200 -0.269 0.000 2.283 461 E HA 0.083 4.433 4.350 -0.000 0.000 0.278 461 E C -1.433 174.945 176.600 -0.369 0.000 1.027 461 E CA -0.439 55.838 56.400 -0.205 0.000 0.843 461 E CB 0.546 30.177 29.700 -0.116 0.000 1.062 461 E HN 0.405 nan 8.360 nan 0.000 0.401 462 Y N 4.014 124.295 120.300 -0.032 0.000 2.447 462 Y HA 0.195 4.745 4.550 -0.000 0.000 0.325 462 Y C 0.731 176.585 175.900 -0.077 0.000 0.976 462 Y CA -0.874 57.209 58.100 -0.029 0.000 1.280 462 Y CB 1.094 39.530 38.460 -0.040 0.000 1.104 462 Y HN 0.567 nan 8.280 nan 0.000 0.486 463 N N 0.556 119.296 118.700 0.067 0.000 2.272 463 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 463 N C 1.758 177.270 175.510 0.004 0.000 1.014 463 N CA 1.699 54.758 53.050 0.016 0.000 0.870 463 N CB 0.012 38.502 38.487 0.005 0.000 0.975 463 N HN 0.619 nan 8.380 nan 0.000 0.433 464 S N -0.827 114.899 115.700 0.044 0.000 2.528 464 S HA 0.047 4.517 4.470 -0.000 0.000 0.219 464 S C 0.796 175.370 174.600 -0.043 0.000 0.985 464 S CA -0.079 58.133 58.200 0.021 0.000 0.914 464 S CB 0.275 63.521 63.200 0.078 0.000 0.776 464 S HN 0.095 nan 8.310 nan 0.000 0.526 465 K N 3.904 124.183 120.400 -0.203 0.000 2.349 465 K HA 0.258 4.578 4.320 -0.000 0.000 0.288 465 K C -2.540 173.921 176.600 -0.230 0.000 1.058 465 K CA -1.894 54.117 56.287 -0.459 0.000 0.953 465 K CB 0.509 32.489 32.500 -0.868 0.000 0.997 465 K HN 0.195 nan 8.250 nan 0.000 0.477 466 P HA 0.136 nan 4.420 nan 0.000 0.278 466 P C -0.741 176.485 177.300 -0.124 0.000 1.238 466 P CA -0.274 62.703 63.100 -0.205 0.000 0.794 466 P CB 1.244 32.710 31.700 -0.390 0.000 0.955 467 K N 0.682 121.030 120.400 -0.087 0.000 2.313 467 K HA 0.226 4.546 4.320 -0.000 0.000 0.197 467 K C 0.523 177.122 176.600 -0.003 0.000 1.061 467 K CA 0.475 56.743 56.287 -0.031 0.000 0.980 467 K CB 0.120 32.607 32.500 -0.022 0.000 0.888 467 K HN 0.355 nan 8.250 nan 0.000 0.502 468 L N 0.878 122.083 121.223 -0.031 0.000 2.333 468 L HA 0.466 4.806 4.340 -0.000 0.000 0.263 468 L C -0.440 176.404 176.870 -0.044 0.000 1.014 468 L CA -1.084 53.760 54.840 0.006 0.000 0.820 468 L CB 2.020 44.089 42.059 0.016 0.000 1.352 468 L HN -0.099 nan 8.230 nan 0.000 0.421 469 I N 1.421 122.009 120.570 0.031 0.000 2.416 469 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 469 I C 0.318 176.451 176.117 0.026 0.000 1.051 469 I CA 0.259 61.569 61.300 0.017 0.000 1.375 469 I CB 1.181 39.283 38.000 0.170 0.000 1.407 469 I HN 0.713 nan 8.210 nan 0.000 0.516 470 T N 0.752 115.285 114.554 -0.035 0.000 2.907 470 T HA 0.286 4.636 4.350 -0.000 0.000 0.290 470 T C 0.510 175.208 174.700 -0.004 0.000 1.066 470 T CA -0.847 61.251 62.100 -0.004 0.000 1.012 470 T CB 1.689 70.537 68.868 -0.033 0.000 1.184 470 T HN 0.453 nan 8.240 nan 0.000 0.522 471 N N 0.372 119.094 118.700 0.035 0.000 2.142 471 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 471 N C 1.739 177.239 175.510 -0.017 0.000 1.023 471 N CA 1.402 54.482 53.050 0.050 0.000 0.852 471 N CB -0.265 38.306 38.487 0.139 0.000 0.998 471 N HN 0.696 nan 8.380 nan 0.000 0.424 472 K N -0.068 120.323 120.400 -0.015 0.000 2.103 472 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 472 K C 1.819 178.381 176.600 -0.064 0.000 1.048 472 K CA 0.967 57.238 56.287 -0.026 0.000 0.930 472 K CB -0.281 32.205 32.500 -0.023 0.000 0.716 472 K HN 0.207 nan 8.250 nan 0.000 0.444 473 L N 1.038 122.198 121.223 -0.105 0.000 2.265 473 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 473 L C 1.969 178.773 176.870 -0.111 0.000 1.117 473 L CA 1.318 56.068 54.840 -0.150 0.000 0.782 473 L CB -0.176 41.702 42.059 -0.302 0.000 0.914 473 L HN 0.230 nan 8.230 nan 0.000 0.441 474 M N -1.000 118.489 119.600 -0.185 0.000 2.296 474 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 474 M C 0.748 176.891 176.300 -0.261 0.000 1.064 474 M CA 0.654 55.760 55.300 -0.324 0.000 1.109 474 M CB -0.758 31.277 32.600 -0.941 0.000 1.396 474 M HN 0.207 nan 8.290 nan 0.000 0.430 475 E N 1.078 121.187 120.200 -0.151 0.000 2.539 475 E HA -0.219 4.131 4.350 -0.000 0.000 0.253 475 E C 0.151 176.764 176.600 0.021 0.000 1.145 475 E CA 0.911 57.280 56.400 -0.052 0.000 0.738 475 E CB -2.414 27.247 29.700 -0.065 0.000 1.308 475 E HN 0.820 nan 8.360 nan 0.000 0.409 476 H N -2.442 116.630 119.070 0.004 0.000 2.915 476 H HA 0.535 5.091 4.556 -0.000 0.000 0.298 476 H C 0.757 176.048 175.328 -0.061 0.000 1.516 476 H CA -0.741 55.309 56.048 0.005 0.000 1.480 476 H CB 0.832 30.618 29.762 0.040 0.000 1.847 476 H HN -0.113 nan 8.280 nan 0.000 0.806 477 N N -0.672 117.978 118.700 -0.084 0.000 2.236 477 N HA 0.069 4.808 4.740 -0.000 0.000 0.196 477 N C -0.676 174.663 175.510 -0.284 0.000 1.114 477 N CA -0.215 52.642 53.050 -0.320 0.000 0.859 477 N CB 0.091 38.100 38.487 -0.797 0.000 0.982 477 N HN 0.466 nan 8.380 nan 0.000 0.493 478 C N 0.595 119.566 119.300 -0.549 0.000 2.443 478 C HA 0.260 4.720 4.460 -0.000 0.000 0.369 478 C C 1.206 176.105 174.990 -0.151 0.000 1.241 478 C CA -0.490 58.248 59.018 -0.468 0.000 2.413 478 C CB 0.467 27.752 27.740 -0.760 0.000 2.451 478 C HN 0.596 nan 8.230 nan 0.000 0.595 479 D N 0.487 120.942 120.400 0.091 0.000 2.349 479 D HA 0.138 4.778 4.640 -0.000 0.000 0.214 479 D C -0.259 176.309 176.300 0.446 0.000 1.063 479 D CA 0.262 54.419 54.000 0.262 0.000 0.847 479 D CB -0.260 40.725 40.800 0.307 0.000 0.933 479 D HN 0.738 nan 8.370 nan 0.000 0.513 480 Y N -2.251 118.182 120.300 0.221 0.000 2.609 480 Y HA 0.604 5.154 4.550 -0.000 0.000 0.336 480 Y C -1.434 174.593 175.900 0.212 0.000 1.129 480 Y CA -1.299 56.943 58.100 0.237 0.000 1.040 480 Y CB 1.379 39.975 38.460 0.227 0.000 1.310 480 Y HN -0.168 nan 8.280 nan 0.000 0.460 481 T N 3.540 118.132 114.554 0.063 0.000 2.861 481 T HA 0.417 4.767 4.350 -0.000 0.000 0.287 481 T C -2.210 172.537 174.700 0.079 0.000 1.003 481 T CA -2.365 59.698 62.100 -0.061 0.000 0.977 481 T CB 1.654 70.607 68.868 0.142 0.000 0.996 481 T HN 0.613 nan 8.240 nan 0.000 0.448 482 P HA 0.023 nan 4.420 nan 0.000 0.222 482 P C 0.809 178.030 177.300 -0.131 0.000 1.147 482 P CA 0.950 64.017 63.100 -0.054 0.000 0.790 482 P CB -0.085 31.430 31.700 -0.308 0.000 0.780 483 F N -0.363 119.700 119.950 0.188 0.000 2.732 483 F HA 0.201 4.728 4.527 -0.000 0.000 0.303 483 F C 1.092 176.981 175.800 0.148 0.000 1.110 483 F CA -0.728 57.363 58.000 0.152 0.000 1.355 483 F CB -0.629 38.450 39.000 0.132 0.000 1.081 483 F HN -0.148 nan 8.300 nan 0.000 0.565 484 E N 1.039 121.395 120.200 0.260 0.000 2.765 484 E HA 0.186 4.536 4.350 -0.000 0.000 0.256 484 E C 1.285 177.993 176.600 0.179 0.000 0.935 484 E CA 1.118 57.639 56.400 0.203 0.000 0.954 484 E CB 0.046 29.865 29.700 0.198 0.000 0.908 484 E HN 0.490 nan 8.360 nan 0.000 0.500 485 G N 3.511 112.398 108.800 0.145 0.000 2.217 485 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 485 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 485 G C 0.534 175.516 174.900 0.136 0.000 0.990 485 G CA 0.122 45.295 45.100 0.122 0.000 0.627 485 G HN 0.858 nan 8.290 nan 0.000 0.522 486 I N -0.797 119.881 120.570 0.181 0.000 2.581 486 I HA 0.667 4.837 4.170 -0.000 0.000 0.288 486 I C 0.388 176.622 176.117 0.194 0.000 1.047 486 I CA -0.819 60.604 61.300 0.205 0.000 1.374 486 I CB 0.745 38.902 38.000 0.261 0.000 1.423 486 I HN 0.108 nan 8.210 nan 0.000 0.549 487 E N 3.863 124.177 120.200 0.191 0.000 2.414 487 E HA 0.228 4.578 4.350 -0.000 0.000 0.263 487 E C -0.895 175.827 176.600 0.204 0.000 1.000 487 E CA -0.015 56.478 56.400 0.155 0.000 0.914 487 E CB 1.328 31.097 29.700 0.115 0.000 0.948 487 E HN 0.477 nan 8.360 nan 0.000 0.444 488 I N 2.835 123.503 120.570 0.162 0.000 2.499 488 I HA 0.087 4.257 4.170 -0.000 0.000 0.288 488 I C 0.142 176.351 176.117 0.154 0.000 1.048 488 I CA -0.181 61.247 61.300 0.212 0.000 1.062 488 I CB 1.335 39.535 38.000 0.334 0.000 1.238 488 I HN 0.376 nan 8.210 nan 0.000 0.426 489 K N 4.322 124.796 120.400 0.123 0.000 2.367 489 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 489 K C 0.199 176.876 176.600 0.129 0.000 1.027 489 K CA 0.079 56.420 56.287 0.089 0.000 1.075 489 K CB 0.199 32.717 32.500 0.029 0.000 0.845 489 K HN 0.516 nan 8.250 nan 0.000 0.529 490 N N -0.646 118.164 118.700 0.183 0.000 2.708 490 N HA 0.241 4.981 4.740 -0.000 0.000 0.257 490 N C -2.068 173.709 175.510 0.446 0.000 1.373 490 N CA -0.460 52.703 53.050 0.190 0.000 0.843 490 N CB 1.992 40.367 38.487 -0.186 0.000 1.503 490 N HN -0.028 nan 8.380 nan 0.000 0.504 491 W N 1.574 123.060 121.300 0.309 0.000 3.363 491 W HA 0.337 4.997 4.660 -0.000 0.000 0.306 491 W C -2.800 173.768 176.519 0.081 0.000 1.253 491 W CA -1.223 56.267 57.345 0.241 0.000 1.195 491 W CB 1.553 31.126 29.460 0.188 0.000 1.366 491 W HN 0.322 nan 8.180 nan 0.000 0.551 492 P HA -0.039 nan 4.420 nan 0.000 0.258 492 P C 0.546 177.801 177.300 -0.075 0.000 1.172 492 P CA 0.874 63.601 63.100 -0.622 0.000 0.762 492 P CB 0.394 31.707 31.700 -0.645 0.000 0.764 493 R N 2.892 123.162 120.500 -0.383 0.000 2.156 493 R HA 0.063 4.403 4.340 -0.000 0.000 0.207 493 R C -0.248 175.794 176.300 -0.430 0.000 1.040 493 R CA 0.874 56.611 56.100 -0.604 0.000 1.013 493 R CB 0.264 29.878 30.300 -1.143 0.000 0.931 493 R HN 0.410 nan 8.270 nan 0.000 0.465 494 Y N -0.563 119.589 120.300 -0.248 0.000 2.421 494 Y HA 0.311 4.861 4.550 -0.000 0.000 0.339 494 Y C -0.870 174.963 175.900 -0.111 0.000 0.996 494 Y CA -0.764 57.257 58.100 -0.133 0.000 1.046 494 Y CB 2.598 40.976 38.460 -0.138 0.000 1.226 494 Y HN -0.207 nan 8.280 nan 0.000 0.445 495 T N 5.206 119.839 114.554 0.133 0.000 2.772 495 T HA 0.579 4.929 4.350 -0.000 0.000 0.288 495 T C -0.364 174.382 174.700 0.077 0.000 0.994 495 T CA -0.445 61.680 62.100 0.041 0.000 0.951 495 T CB 0.208 69.067 68.868 -0.015 0.000 0.933 495 T HN 0.348 nan 8.240 nan 0.000 0.447 496 I N 3.308 123.901 120.570 0.039 0.000 2.321 496 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 496 I C -0.448 175.682 176.117 0.022 0.000 0.998 496 I CA -0.954 60.369 61.300 0.038 0.000 1.227 496 I CB 1.506 39.514 38.000 0.013 0.000 1.368 496 I HN 0.259 nan 8.210 nan 0.000 0.466 497 V N 6.301 126.234 119.914 0.033 0.000 2.407 497 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 497 V C 0.200 176.306 176.094 0.019 0.000 1.018 497 V CA -1.050 61.265 62.300 0.025 0.000 0.842 497 V CB 1.243 33.091 31.823 0.041 0.000 0.996 497 V HN 0.760 nan 8.190 nan 0.000 0.426 498 K N 3.816 124.220 120.400 0.007 0.000 3.156 498 K HA -0.250 4.070 4.320 -0.000 0.000 0.266 498 K C 1.126 177.730 176.600 0.005 0.000 0.966 498 K CA 0.658 56.946 56.287 0.002 0.000 0.719 498 K CB -1.381 31.119 32.500 -0.000 0.000 1.333 498 K HN 1.595 nan 8.250 nan 0.000 0.468 499 G N -0.303 108.499 108.800 0.004 0.000 2.162 499 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 499 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 499 G C -0.116 174.793 174.900 0.014 0.000 0.976 499 G CA 0.899 46.002 45.100 0.005 0.000 0.655 499 G HN 0.365 nan 8.290 nan 0.000 0.533 500 K N -0.236 120.178 120.400 0.024 0.000 2.316 500 K HA 0.603 4.923 4.320 -0.000 0.000 0.251 500 K C 0.169 176.803 176.600 0.056 0.000 0.934 500 K CA -1.052 55.257 56.287 0.037 0.000 0.802 500 K CB 1.877 34.399 32.500 0.036 0.000 1.171 500 K HN 0.162 nan 8.250 nan 0.000 0.426 501 I N 2.969 123.583 120.570 0.073 0.000 2.436 501 I HA -0.022 4.148 4.170 -0.000 0.000 0.289 501 I C 0.944 177.124 176.117 0.104 0.000 1.083 501 I CA -0.132 61.234 61.300 0.109 0.000 1.372 501 I CB 0.634 38.723 38.000 0.148 0.000 1.408 501 I HN 0.394 nan 8.210 nan 0.000 0.516 502 V N 6.240 126.228 119.914 0.123 0.000 3.523 502 V HA 0.053 4.173 4.120 -0.000 0.000 0.255 502 V C -0.239 175.974 176.094 0.198 0.000 1.226 502 V CA 0.186 62.579 62.300 0.155 0.000 1.092 502 V CB -0.165 31.759 31.823 0.169 0.000 0.817 502 V HN 0.619 nan 8.190 nan 0.000 0.458 503 Y N 1.488 121.789 120.300 0.002 0.000 2.346 503 Y HA 0.609 5.159 4.550 -0.000 0.000 0.332 503 Y C -0.395 175.436 175.900 -0.115 0.000 0.985 503 Y CA -1.325 56.748 58.100 -0.046 0.000 1.112 503 Y CB 1.429 39.855 38.460 -0.057 0.000 1.170 503 Y HN -0.018 nan 8.280 nan 0.000 0.447 504 K N 5.271 125.385 120.400 -0.476 0.000 2.579 504 K HA 0.294 4.614 4.320 -0.000 0.000 0.250 504 K C -0.732 175.469 176.600 -0.664 0.000 0.952 504 K CA -0.347 55.572 56.287 -0.614 0.000 0.857 504 K CB 0.779 33.026 32.500 -0.422 0.000 1.123 504 K HN 0.864 nan 8.250 nan 0.000 0.433 505 E N 2.573 122.379 120.200 -0.657 0.000 2.269 505 E HA -0.280 4.070 4.350 -0.000 0.000 0.223 505 E C 0.462 176.856 176.600 -0.343 0.000 1.244 505 E CA 0.848 57.033 56.400 -0.360 0.000 0.713 505 E CB -1.283 28.277 29.700 -0.234 0.000 1.178 505 E HN 1.166 nan 8.360 nan 0.000 0.370 506 G N -0.565 107.873 108.800 -0.603 0.000 2.195 506 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 506 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 506 G C -0.077 174.609 174.900 -0.357 0.000 0.984 506 G CA 0.286 45.163 45.100 -0.372 0.000 0.633 506 G HN 0.231 nan 8.290 nan 0.000 0.525 507 E N 0.591 120.496 120.200 -0.492 0.000 2.166 507 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 507 E C 0.258 176.755 176.600 -0.171 0.000 0.941 507 E CA -0.787 55.471 56.400 -0.237 0.000 0.784 507 E CB 1.535 31.136 29.700 -0.165 0.000 1.115 507 E HN 0.213 nan 8.360 nan 0.000 0.399 508 I N 3.330 123.919 120.570 0.032 0.000 2.441 508 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 508 I C 0.449 176.625 176.117 0.098 0.000 1.049 508 I CA -0.369 61.004 61.300 0.122 0.000 1.381 508 I CB 0.420 38.471 38.000 0.085 0.000 1.409 508 I HN 0.336 nan 8.210 nan 0.000 0.523 509 L N 7.054 128.354 121.223 0.129 0.000 2.360 509 L HA 0.283 4.622 4.340 -0.000 0.000 0.265 509 L C 1.495 178.463 176.870 0.163 0.000 1.066 509 L CA -0.358 54.549 54.840 0.111 0.000 0.929 509 L CB 0.494 42.596 42.059 0.071 0.000 1.306 509 L HN 0.647 nan 8.230 nan 0.000 0.434 510 K N 1.663 122.177 120.400 0.191 0.000 2.160 510 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 510 K C 1.381 178.012 176.600 0.051 0.000 1.047 510 K CA 1.571 57.970 56.287 0.187 0.000 0.930 510 K CB 0.295 32.900 32.500 0.175 0.000 0.720 510 K HN 0.590 nan 8.250 nan 0.000 0.450 511 E N -0.065 120.164 120.200 0.049 0.000 2.338 511 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 511 E C 0.838 177.448 176.600 0.016 0.000 1.007 511 E CA 0.568 56.981 56.400 0.021 0.000 0.849 511 E CB 0.006 29.721 29.700 0.025 0.000 0.774 511 E HN 0.332 nan 8.360 nan 0.000 0.506 512 N N 0.390 119.111 118.700 0.036 0.000 2.270 512 N HA 0.090 4.830 4.740 -0.000 0.000 0.198 512 N C -0.422 175.102 175.510 0.023 0.000 1.117 512 N CA 0.069 53.140 53.050 0.035 0.000 0.845 512 N CB 0.733 39.255 38.487 0.058 0.000 0.980 512 N HN 0.010 nan 8.380 nan 0.000 0.486 513 A N 0.714 123.520 122.820 -0.024 0.000 2.395 513 A HA 0.235 4.555 4.320 -0.000 0.000 0.286 513 A C 0.094 177.616 177.584 -0.103 0.000 1.193 513 A CA 0.058 52.026 52.037 -0.114 0.000 0.852 513 A CB 0.025 18.755 19.000 -0.450 0.000 1.118 513 A HN 0.042 nan 8.150 nan 0.000 0.524 514 D N 2.087 122.457 120.400 -0.050 0.000 2.785 514 D HA 0.234 4.874 4.640 -0.000 0.000 0.324 514 D C 0.686 176.983 176.300 -0.006 0.000 1.523 514 D CA 0.435 54.418 54.000 -0.029 0.000 0.789 514 D CB -0.066 40.727 40.800 -0.012 0.000 1.171 514 D HN 0.657 nan 8.370 nan 0.000 0.447 515 G N 0.952 109.752 108.800 0.000 0.000 2.491 515 G HA2 0.385 4.345 3.960 -0.000 0.000 0.238 515 G HA3 0.385 4.345 3.960 -0.000 0.000 0.238 515 G C -0.106 174.837 174.900 0.072 0.000 1.277 515 G CA -0.077 45.049 45.100 0.044 0.000 0.851 515 G HN 0.140 nan 8.290 nan 0.000 0.573 516 K N -0.131 120.308 120.400 0.064 0.000 2.482 516 K HA 0.239 4.559 4.320 -0.000 0.000 0.257 516 K C -1.305 175.271 176.600 -0.040 0.000 0.969 516 K CA -0.951 55.372 56.287 0.060 0.000 0.842 516 K CB 2.283 34.793 32.500 0.016 0.000 1.359 516 K HN 0.520 nan 8.250 nan 0.000 0.441 517 Y N 1.645 121.815 120.300 -0.217 0.000 2.597 517 Y HA 0.130 4.680 4.550 -0.000 0.000 0.336 517 Y C -0.762 174.934 175.900 -0.339 0.000 1.216 517 Y CA -0.053 57.699 58.100 -0.580 0.000 1.463 517 Y CB 0.381 38.598 38.460 -0.405 0.000 1.303 517 Y HN 0.361 nan 8.280 nan 0.000 0.576 518 L N 7.346 127.777 121.223 -1.319 0.000 2.298 518 L HA 0.384 4.724 4.340 -0.000 0.000 0.284 518 L C -0.810 175.465 176.870 -0.992 0.000 1.013 518 L CA -0.481 53.843 54.840 -0.860 0.000 0.824 518 L CB 0.846 42.581 42.059 -0.540 0.000 1.221 518 L HN 0.568 nan 8.230 nan 0.000 0.418 519 K N 5.617 125.706 120.400 -0.518 0.000 2.349 519 K HA 0.352 4.672 4.320 -0.000 0.000 0.288 519 K C -0.411 176.071 176.600 -0.197 0.000 1.058 519 K CA -0.291 55.834 56.287 -0.270 0.000 0.953 519 K CB 0.810 33.233 32.500 -0.128 0.000 0.997 519 K HN 0.542 nan 8.250 nan 0.000 0.477 520 R N 0.914 121.335 120.500 -0.132 0.000 2.598 520 R HA 0.369 4.709 4.340 -0.000 0.000 0.279 520 R C 0.517 176.864 176.300 0.078 0.000 0.984 520 R CA -0.757 55.312 56.100 -0.051 0.000 0.999 520 R CB 1.418 31.681 30.300 -0.062 0.000 1.114 520 R HN 0.688 nan 8.270 nan 0.000 0.493 521 G N 0.825 109.687 108.800 0.103 0.000 2.568 521 G HA2 0.243 4.202 3.960 -0.000 0.000 0.293 521 G HA3 0.243 4.202 3.960 -0.000 0.000 0.293 521 G C -0.675 174.290 174.900 0.109 0.000 1.347 521 G CA -0.575 44.644 45.100 0.199 0.000 1.039 521 G HN 0.207 nan 8.290 nan 0.000 0.523 522 K N 0.449 120.869 120.400 0.033 0.000 2.249 522 K HA 0.290 4.610 4.320 -0.000 0.000 0.280 522 K C 0.214 176.808 176.600 -0.010 0.000 1.033 522 K CA -0.202 56.032 56.287 -0.088 0.000 0.946 522 K CB 1.519 33.937 32.500 -0.137 0.000 1.005 522 K HN 0.344 nan 8.250 nan 0.000 0.469 523 S N 2.441 118.105 115.700 -0.059 0.000 2.528 523 S HA 0.083 4.553 4.470 -0.000 0.000 0.277 523 S C 1.195 175.749 174.600 -0.076 0.000 1.297 523 S CA -0.646 57.491 58.200 -0.105 0.000 1.052 523 S CB 0.005 63.067 63.200 -0.230 0.000 0.917 523 S HN 0.456 nan 8.310 nan 0.000 0.492 524 F N 4.112 124.037 119.950 -0.042 0.000 2.546 524 F HA 0.143 4.670 4.527 -0.000 0.000 0.298 524 F C 1.500 177.275 175.800 -0.042 0.000 1.120 524 F CA 0.677 58.657 58.000 -0.032 0.000 1.456 524 F CB -0.488 38.500 39.000 -0.020 0.000 1.088 524 F HN 0.517 nan 8.300 nan 0.000 0.572 525 M N -0.659 118.553 119.600 -0.646 0.000 2.558 525 M HA 0.019 4.499 4.480 -0.000 0.000 0.255 525 M C 0.729 176.970 176.300 -0.097 0.000 1.113 525 M CA 0.443 55.471 55.300 -0.454 0.000 1.097 525 M CB -0.137 31.988 32.600 -0.792 0.000 1.426 525 M HN 0.299 nan 8.290 nan 0.000 0.488 526 C N 0.690 119.937 119.300 -0.089 0.000 3.000 526 C HA 0.167 4.627 4.460 -0.000 0.000 0.286 526 C C 1.297 176.297 174.990 0.016 0.000 1.343 526 C CA -0.630 58.391 59.018 0.006 0.000 1.742 526 C CB -1.516 26.214 27.740 -0.017 0.000 2.200 526 C HN 0.455 nan 8.230 nan 0.000 0.621 527 T N 1.082 115.649 114.554 0.022 0.000 2.926 527 T HA 0.275 4.625 4.350 -0.000 0.000 0.307 527 T C -2.304 172.401 174.700 0.009 0.000 1.059 527 T CA -0.743 61.374 62.100 0.028 0.000 1.122 527 T CB 0.472 69.368 68.868 0.047 0.000 0.972 527 T HN 0.172 nan 8.240 nan 0.000 0.545 528 P HA 0.265 nan 4.420 nan 0.000 0.274 528 P C 0.569 177.826 177.300 -0.072 0.000 1.237 528 P CA -0.695 62.373 63.100 -0.054 0.000 0.793 528 P CB 0.884 32.554 31.700 -0.050 0.000 0.977 529 K N 0.989 121.308 120.400 -0.136 0.000 2.288 529 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 529 K C 0.117 176.633 176.600 -0.139 0.000 1.048 529 K CA 0.491 56.698 56.287 -0.133 0.000 0.956 529 K CB -0.605 31.793 32.500 -0.170 0.000 0.746 529 K HN 0.479 nan 8.250 nan 0.000 0.461 530 N N 1.306 119.885 118.700 -0.201 0.000 2.758 530 N HA -0.197 4.543 4.740 -0.000 0.000 0.248 530 N C -0.769 174.619 175.510 -0.203 0.000 1.076 530 N CA 0.786 53.758 53.050 -0.129 0.000 0.696 530 N CB -1.110 37.393 38.487 0.027 0.000 0.979 530 N HN 0.326 nan 8.380 nan 0.000 0.550 531 E N -0.458 119.419 120.200 -0.539 0.000 2.224 531 E HA 0.598 4.948 4.350 -0.000 0.000 0.265 531 E C -1.199 175.049 176.600 -0.587 0.000 0.878 531 E CA -0.489 55.701 56.400 -0.350 0.000 0.759 531 E CB 1.119 30.680 29.700 -0.231 0.000 1.164 531 E HN 0.206 nan 8.360 nan 0.000 0.414 532 W N 2.834 124.140 121.300 0.010 0.000 2.962 532 W HA 0.371 5.031 4.660 -0.000 0.000 0.341 532 W C 0.520 177.067 176.519 0.047 0.000 1.155 532 W CA -0.777 56.592 57.345 0.040 0.000 1.165 532 W CB 1.037 30.522 29.460 0.042 0.000 1.435 532 W HN 0.265 nan 8.180 nan 0.000 0.546 533 V N 0.594 120.702 119.914 0.325 0.000 2.649 533 V HA -0.033 4.087 4.120 -0.000 0.000 0.248 533 V C 0.900 177.105 176.094 0.185 0.000 1.054 533 V CA 1.992 64.410 62.300 0.198 0.000 1.073 533 V CB -0.544 31.376 31.823 0.161 0.000 0.699 533 V HN 0.695 nan 8.190 nan 0.000 0.463 534 T N -2.305 112.391 114.554 0.238 0.000 2.773 534 T HA 0.309 4.659 4.350 -0.000 0.000 0.278 534 T C 0.835 175.622 174.700 0.145 0.000 1.011 534 T CA 0.065 62.266 62.100 0.169 0.000 1.014 534 T CB 1.844 70.804 68.868 0.154 0.000 1.293 534 T HN 0.389 nan 8.240 nan 0.000 0.554 535 E N -0.843 119.411 120.200 0.090 0.000 2.418 535 E HA -0.002 4.348 4.350 -0.000 0.000 0.197 535 E C 0.208 176.788 176.600 -0.033 0.000 1.026 535 E CA -0.423 55.990 56.400 0.021 0.000 0.862 535 E CB -0.169 29.540 29.700 0.016 0.000 0.799 535 E HN 0.613 nan 8.360 nan 0.000 0.518 536 W N 2.381 123.587 121.300 -0.157 0.000 2.181 536 W HA 0.115 4.775 4.660 -0.000 0.000 0.335 536 W C -0.196 176.011 176.519 -0.520 0.000 1.310 536 W CA -0.128 57.073 57.345 -0.240 0.000 1.226 536 W CB 0.608 29.976 29.460 -0.152 0.000 1.155 536 W HN -0.172 nan 8.180 nan 0.000 0.565 537 R N 5.580 125.142 120.500 -1.563 0.000 2.744 537 R HA 0.391 4.731 4.340 -0.000 0.000 0.279 537 R C -2.514 172.572 176.300 -2.023 0.000 0.977 537 R CA -2.489 52.493 56.100 -1.863 0.000 0.906 537 R CB 0.890 30.540 30.300 -1.084 0.000 1.197 537 R HN 0.294 nan 8.270 nan 0.000 0.463 538 P HA 0.115 nan 4.420 nan 0.000 0.269 538 P C 0.478 177.411 177.300 -0.612 0.000 1.209 538 P CA -0.149 62.414 63.100 -0.895 0.000 0.776 538 P CB 0.769 31.916 31.700 -0.922 0.000 0.876 539 K N 1.861 122.173 120.400 -0.148 0.000 2.089 539 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 539 K C 1.826 178.369 176.600 -0.095 0.000 1.048 539 K CA 2.153 58.402 56.287 -0.064 0.000 0.926 539 K CB -0.640 31.929 32.500 0.115 0.000 0.714 539 K HN 0.663 nan 8.250 nan 0.000 0.448 540 Y N 1.000 121.278 120.300 -0.037 0.000 2.616 540 Y HA 0.120 4.670 4.550 -0.000 0.000 0.296 540 Y C 0.882 176.736 175.900 -0.076 0.000 1.154 540 Y CA -0.361 57.713 58.100 -0.043 0.000 1.325 540 Y CB -0.583 37.859 38.460 -0.029 0.000 1.007 540 Y HN -0.026 nan 8.280 nan 0.000 0.542 541 E N 0.000 119.923 120.200 -0.461 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.181 56.400 -0.364 0.000 0.976 541 E CB 0.000 29.392 29.700 -0.513 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440