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 1j0m_1_A DATA FIRST_RESID 26 DATA SEQUENCE SDEFDALRIK WATLLTGGPA LDPADSDIAA RTDKLAQDAN DYWEDMDLSS DATA SEQUENCE SRTYIWYALR GNGTSDNVNA VYERLRTMAL AATTVGSSLY GNADLKEDIL DATA SEQUENCE DALDWLYVNS YNSTRSRSAY NWWHWQLGIP MSLNDTAVLL YDDISAARMA DATA SEQUENCE TYMDTIDYFT PSXXILXTGA NRAWQAIVVG VRAVIVKDAV KLAAARNGLS DATA SEQUENCE GIFPYATGGD GFYADGSFVQ HTTFAYTGGY GSSVLETTAN LMYLLSGSTW DATA SEQUENCE SVSDPNQSNV WQWIYEAYRP LLYKGAMMDM VRGREISRSY AQDHAVGHGI DATA SEQUENCE VASIVRLAQF APAPHAAAFK QIAKRVIQED TFSSFYGDVS TDTIRLAKAI DATA SEQUENCE VDDPSIAPAA APNLYKQYAA MDRAVLQRPG FALGLALYST RISSYESINS DATA SEQUENCE ENGRGWYTGA GATYLYNQDL AQYSEDYWPT VDAYRIPGTT VASTPIAXSG DATA SEQUENCE TGTSSWTGGV SLAGQYGASG MDLSYGAYNL SARKSWFMFD DEIVALGSGI DATA SEQUENCE SSTAGIPIET VVDNRKLNGA GDNAWTANGA ALSTGLGVAQ TLTGVNWVHL DATA SEQUENCE AGNTADGSDI GYYFPGGATL QTKREARTGT WKQINNRPAT PSTAVTRNYE DATA SEQUENCE TMWIDHGTNP SGASYGYVLL PNKTSAQVGA YAADPAIEIV VNTSXGVQSV DATA SEQUENCE KKTLGLVGAN FWTDTTQTAD LITSNKKASV MTREIADERL EASVSDPTQA DATA SEQUENCE NNGTIAIELA RSAEGYSADP GITVTQLAPT IKFTVNVNGA KGKSFHASFQ DATA SEQUENCE LG 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.659 174.600 0.098 0.000 1.055 26 S CA 0.000 58.249 58.200 0.083 0.000 1.107 26 S CB 0.000 63.242 63.200 0.071 0.000 0.593 27 D N -0.883 119.582 120.400 0.109 0.000 3.072 27 D HA 0.209 4.850 4.640 0.002 0.000 0.282 27 D C -0.023 176.352 176.300 0.124 0.000 1.110 27 D CA -0.629 53.453 54.000 0.136 0.000 0.723 27 D CB -0.140 40.790 40.800 0.217 0.000 1.350 27 D HN 0.359 nan 8.370 nan 0.000 0.451 28 E N -0.565 119.689 120.200 0.090 0.000 2.085 28 E HA -0.140 4.211 4.350 0.002 0.000 0.194 28 E C 1.291 177.904 176.600 0.021 0.000 0.994 28 E CA 1.321 57.737 56.400 0.027 0.000 0.801 28 E CB -0.259 29.439 29.700 -0.003 0.000 0.743 28 E HN 0.410 nan 8.360 nan 0.000 0.453 29 F N 1.626 121.638 119.950 0.103 0.000 2.154 29 F HA -0.240 4.288 4.527 0.002 0.000 0.301 29 F C 2.081 177.859 175.800 -0.037 0.000 1.087 29 F CA 1.434 59.430 58.000 -0.006 0.000 1.274 29 F CB -0.325 38.659 39.000 -0.028 0.000 1.009 29 F HN 0.001 nan 8.300 nan 0.000 0.485 30 D N -0.247 120.259 120.400 0.177 0.000 2.149 30 D HA -0.073 4.568 4.640 0.002 0.000 0.201 30 D C 2.339 178.675 176.300 0.059 0.000 0.972 30 D CA 1.300 55.350 54.000 0.083 0.000 0.835 30 D CB -0.704 40.157 40.800 0.102 0.000 0.966 30 D HN 0.232 nan 8.370 nan 0.000 0.476 31 A N 0.717 123.575 122.820 0.064 0.000 1.898 31 A HA -0.088 4.233 4.320 0.002 0.000 0.216 31 A C 2.320 179.931 177.584 0.045 0.000 1.181 31 A CA 0.800 52.866 52.037 0.049 0.000 0.620 31 A CB -0.706 18.316 19.000 0.037 0.000 0.819 31 A HN 0.175 nan 8.150 nan 0.000 0.442 32 L N -1.119 120.124 121.223 0.033 0.000 2.017 32 L HA -0.179 4.162 4.340 0.002 0.000 0.208 32 L C 2.805 179.722 176.870 0.077 0.000 1.073 32 L CA 1.787 56.646 54.840 0.031 0.000 0.745 32 L CB -0.561 41.486 42.059 -0.021 0.000 0.894 32 L HN 0.471 nan 8.230 nan 0.000 0.432 33 R N 0.802 121.327 120.500 0.041 0.000 2.117 33 R HA -0.200 4.141 4.340 0.002 0.000 0.243 33 R C 2.201 178.566 176.300 0.108 0.000 1.143 33 R CA 1.672 57.791 56.100 0.033 0.000 0.968 33 R CB -0.269 29.954 30.300 -0.127 0.000 0.863 33 R HN 0.346 nan 8.270 nan 0.000 0.444 34 I N 0.517 121.137 120.570 0.084 0.000 2.439 34 I HA -0.209 3.962 4.170 0.002 0.000 0.251 34 I C 2.580 178.770 176.117 0.121 0.000 1.139 34 I CA 0.989 62.347 61.300 0.096 0.000 1.438 34 I CB -0.283 37.763 38.000 0.077 0.000 1.085 34 I HN 0.201 nan 8.210 nan 0.000 0.427 35 K N 0.852 121.334 120.400 0.137 0.000 2.057 35 K HA -0.238 4.083 4.320 0.002 0.000 0.206 35 K C 2.211 178.952 176.600 0.236 0.000 1.050 35 K CA 1.432 57.818 56.287 0.164 0.000 0.935 35 K CB -0.237 32.331 32.500 0.113 0.000 0.715 35 K HN 0.477 nan 8.250 nan 0.000 0.439 36 W N 1.246 122.592 121.300 0.076 0.000 2.467 36 W HA -0.096 4.564 4.660 0.001 0.000 0.275 36 W C 1.585 178.148 176.519 0.074 0.000 1.239 36 W CA 1.309 58.706 57.345 0.087 0.000 1.266 36 W CB 0.058 29.547 29.460 0.048 0.000 1.112 36 W HN 0.194 nan 8.180 nan 0.000 0.576 37 A N 0.502 123.403 122.820 0.136 0.000 1.897 37 A HA -0.202 4.119 4.320 0.002 0.000 0.215 37 A C 1.921 179.492 177.584 -0.023 0.000 1.181 37 A CA 2.461 54.533 52.037 0.058 0.000 0.620 37 A CB -1.289 17.774 19.000 0.105 0.000 0.821 37 A HN 0.310 nan 8.150 nan 0.000 0.443 38 T N -1.856 112.700 114.554 0.002 0.000 3.023 38 T HA 0.030 4.381 4.350 0.002 0.000 0.266 38 T C 1.753 176.406 174.700 -0.078 0.000 1.093 38 T CA 1.110 63.201 62.100 -0.016 0.000 1.129 38 T CB -0.353 68.533 68.868 0.031 0.000 0.899 38 T HN 0.292 nan 8.240 nan 0.000 0.491 39 L N -0.193 120.943 121.223 -0.145 0.000 2.156 39 L HA 0.234 4.575 4.340 0.002 0.000 0.208 39 L C 2.168 178.837 176.870 -0.336 0.000 1.095 39 L CA 1.034 55.713 54.840 -0.268 0.000 0.770 39 L CB -0.173 41.635 42.059 -0.417 0.000 0.914 39 L HN 0.256 nan 8.230 nan 0.000 0.439 40 L N -1.472 119.544 121.223 -0.345 0.000 2.202 40 L HA -0.031 4.310 4.340 0.002 0.000 0.205 40 L C 2.205 178.995 176.870 -0.134 0.000 1.083 40 L CA 0.999 55.687 54.840 -0.253 0.000 0.790 40 L CB -0.470 41.460 42.059 -0.214 0.000 0.942 40 L HN 0.159 nan 8.230 nan 0.000 0.452 41 T N -1.202 113.291 114.554 -0.101 0.000 2.953 41 T HA 0.162 4.513 4.350 0.002 0.000 0.247 41 T C 1.340 175.993 174.700 -0.078 0.000 1.029 41 T CA 1.061 63.119 62.100 -0.069 0.000 1.144 41 T CB 0.374 69.219 68.868 -0.039 0.000 0.870 41 T HN 0.497 nan 8.240 nan 0.000 0.446 42 G N 0.852 109.607 108.800 -0.074 0.000 2.168 42 G HA2 0.243 4.204 3.960 0.002 0.000 0.197 42 G HA3 0.243 4.204 3.960 0.002 0.000 0.197 42 G C 0.623 175.493 174.900 -0.050 0.000 0.997 42 G CA -0.066 44.994 45.100 -0.066 0.000 0.658 42 G HN 1.083 nan 8.290 nan 0.000 0.513 43 G N 0.225 109.002 108.800 -0.040 0.000 2.749 43 G HA2 0.046 4.007 3.960 0.002 0.000 0.242 43 G HA3 0.046 4.007 3.960 0.002 0.000 0.242 43 G C -0.487 174.388 174.900 -0.042 0.000 1.364 43 G CA 0.519 45.606 45.100 -0.020 0.000 0.888 43 G HN 0.880 nan 8.290 nan 0.000 0.566 44 P HA 0.057 nan 4.420 nan 0.000 0.225 44 P C 1.836 179.112 177.300 -0.041 0.000 1.156 44 P CA 2.028 65.108 63.100 -0.034 0.000 0.787 44 P CB -0.173 31.530 31.700 0.005 0.000 0.802 45 A N 0.741 123.544 122.820 -0.029 0.000 1.972 45 A HA -0.087 4.234 4.320 0.002 0.000 0.219 45 A C 1.462 179.019 177.584 -0.045 0.000 1.169 45 A CA 0.303 52.323 52.037 -0.028 0.000 0.635 45 A CB -1.406 17.584 19.000 -0.016 0.000 0.810 45 A HN 0.177 nan 8.150 nan 0.000 0.446 46 L N 1.109 122.296 121.223 -0.061 0.000 2.769 46 L HA -0.140 4.201 4.340 0.002 0.000 0.293 46 L C -0.210 176.616 176.870 -0.073 0.000 1.224 46 L CA 0.240 55.035 54.840 -0.075 0.000 0.906 46 L CB 0.017 42.016 42.059 -0.100 0.000 1.193 46 L HN 0.356 nan 8.230 nan 0.000 0.488 47 D N 6.990 127.350 120.400 -0.067 0.000 2.467 47 D HA 0.200 4.841 4.640 0.002 0.000 0.220 47 D C -1.303 174.958 176.300 -0.066 0.000 1.103 47 D CA -2.145 51.818 54.000 -0.061 0.000 0.886 47 D CB 1.153 41.919 40.800 -0.056 0.000 1.025 47 D HN 0.207 nan 8.370 nan 0.000 0.514 48 P HA -0.163 nan 4.420 nan 0.000 0.219 48 P C 1.089 178.358 177.300 -0.052 0.000 1.146 48 P CA 0.657 63.721 63.100 -0.061 0.000 0.808 48 P CB 0.237 31.904 31.700 -0.056 0.000 0.779 49 A N 0.047 122.840 122.820 -0.046 0.000 2.070 49 A HA -0.139 4.182 4.320 0.002 0.000 0.220 49 A C 1.381 178.934 177.584 -0.051 0.000 1.159 49 A CA 0.718 52.731 52.037 -0.041 0.000 0.656 49 A CB -1.257 17.722 19.000 -0.035 0.000 0.800 49 A HN 0.165 nan 8.150 nan 0.000 0.453 50 D N 0.116 120.477 120.400 -0.065 0.000 2.450 50 D HA 0.038 4.679 4.640 0.002 0.000 0.247 50 D C 1.338 177.588 176.300 -0.082 0.000 1.162 50 D CA 0.761 54.710 54.000 -0.084 0.000 0.879 50 D CB 1.096 41.831 40.800 -0.109 0.000 1.163 50 D HN 0.205 nan 8.370 nan 0.000 0.472 51 S N 3.404 119.056 115.700 -0.079 0.000 2.365 51 S HA -0.210 4.261 4.470 0.002 0.000 0.225 51 S C 1.198 175.758 174.600 -0.068 0.000 1.039 51 S CA 1.577 59.739 58.200 -0.063 0.000 1.033 51 S CB 0.021 63.190 63.200 -0.052 0.000 0.887 51 S HN 0.590 nan 8.310 nan 0.000 0.447 52 D N 0.353 120.690 120.400 -0.104 0.000 2.194 52 D HA 0.051 4.692 4.640 0.002 0.000 0.204 52 D C 1.986 178.235 176.300 -0.085 0.000 0.964 52 D CA 0.987 54.933 54.000 -0.090 0.000 0.846 52 D CB -0.115 40.594 40.800 -0.152 0.000 0.962 52 D HN 0.464 nan 8.370 nan 0.000 0.490 53 I N 1.634 122.140 120.570 -0.108 0.000 2.315 53 I HA -0.204 3.967 4.170 0.002 0.000 0.248 53 I C 2.665 178.741 176.117 -0.069 0.000 1.117 53 I CA 0.550 61.797 61.300 -0.089 0.000 1.404 53 I CB -0.150 37.792 38.000 -0.096 0.000 1.071 53 I HN -0.100 nan 8.210 nan 0.000 0.419 54 A N 1.005 123.787 122.820 -0.063 0.000 1.858 54 A HA -0.209 4.112 4.320 0.002 0.000 0.216 54 A C 2.589 180.147 177.584 -0.043 0.000 1.190 54 A CA 2.000 54.007 52.037 -0.050 0.000 0.617 54 A CB -1.014 17.960 19.000 -0.043 0.000 0.827 54 A HN 0.409 nan 8.150 nan 0.000 0.443 55 A N -0.470 122.326 122.820 -0.040 0.000 1.892 55 A HA -0.254 4.067 4.320 0.002 0.000 0.218 55 A C 2.207 179.768 177.584 -0.037 0.000 1.188 55 A CA 2.475 54.491 52.037 -0.034 0.000 0.631 55 A CB -0.510 18.473 19.000 -0.029 0.000 0.822 55 A HN 0.459 nan 8.150 nan 0.000 0.447 56 R N -0.589 119.886 120.500 -0.041 0.000 2.081 56 R HA -0.079 4.262 4.340 0.002 0.000 0.235 56 R C 2.248 178.522 176.300 -0.044 0.000 1.131 56 R CA 2.349 58.423 56.100 -0.044 0.000 0.960 56 R CB -1.201 29.068 30.300 -0.050 0.000 0.856 56 R HN 0.533 nan 8.270 nan 0.000 0.436 57 T N 0.878 115.405 114.554 -0.045 0.000 2.708 57 T HA -0.104 4.247 4.350 0.002 0.000 0.266 57 T C 1.113 175.794 174.700 -0.031 0.000 1.037 57 T CA 1.548 63.623 62.100 -0.042 0.000 1.146 57 T CB -0.358 68.482 68.868 -0.048 0.000 0.865 57 T HN 0.288 nan 8.240 nan 0.000 0.435 58 D N 1.183 121.565 120.400 -0.030 0.000 2.104 58 D HA -0.091 4.550 4.640 0.002 0.000 0.194 58 D C 2.271 178.552 176.300 -0.031 0.000 0.994 58 D CA 0.978 54.964 54.000 -0.024 0.000 0.830 58 D CB -0.152 40.634 40.800 -0.024 0.000 0.959 58 D HN 0.214 nan 8.370 nan 0.000 0.452 59 K N 0.545 120.922 120.400 -0.038 0.000 2.103 59 K HA -0.135 4.186 4.320 0.002 0.000 0.207 59 K C 2.152 178.720 176.600 -0.053 0.000 1.048 59 K CA 0.268 56.526 56.287 -0.047 0.000 0.930 59 K CB -0.745 31.727 32.500 -0.046 0.000 0.716 59 K HN 0.172 nan 8.250 nan 0.000 0.444 60 L N 1.105 122.304 121.223 -0.040 0.000 1.961 60 L HA -0.092 4.249 4.340 0.002 0.000 0.210 60 L C 2.278 179.131 176.870 -0.029 0.000 1.072 60 L CA 2.182 57.003 54.840 -0.032 0.000 0.749 60 L CB -1.136 40.910 42.059 -0.022 0.000 0.889 60 L HN 0.174 nan 8.230 nan 0.000 0.432 61 A N -1.000 121.811 122.820 -0.015 0.000 1.917 61 A HA -0.341 3.980 4.320 0.002 0.000 0.219 61 A C 2.304 179.882 177.584 -0.009 0.000 1.182 61 A CA 2.199 54.238 52.037 0.004 0.000 0.633 61 A CB -0.856 18.154 19.000 0.017 0.000 0.819 61 A HN 0.721 nan 8.150 nan 0.000 0.448 62 Q N -0.296 119.482 119.800 -0.037 0.000 1.967 62 Q HA -0.276 4.065 4.340 0.002 0.000 0.202 62 Q C 1.652 177.570 176.000 -0.137 0.000 0.985 62 Q CA 2.241 58.007 55.803 -0.062 0.000 0.839 62 Q CB -0.331 28.367 28.738 -0.066 0.000 0.906 62 Q HN 0.625 nan 8.270 nan 0.000 0.423 63 D N 0.541 120.822 120.400 -0.198 0.000 2.116 63 D HA -0.199 4.442 4.640 0.002 0.000 0.193 63 D C 1.753 177.706 176.300 -0.578 0.000 0.998 63 D CA 1.741 55.485 54.000 -0.426 0.000 0.836 63 D CB -0.300 40.309 40.800 -0.318 0.000 0.951 63 D HN 0.473 nan 8.370 nan 0.000 0.449 64 A N 1.867 124.569 122.820 -0.197 0.000 1.837 64 A HA -0.295 4.026 4.320 0.002 0.000 0.216 64 A C 1.961 179.617 177.584 0.120 0.000 1.210 64 A CA 2.408 54.458 52.037 0.021 0.000 0.632 64 A CB -1.175 17.860 19.000 0.057 0.000 0.843 64 A HN 0.428 nan 8.150 nan 0.000 0.448 65 N N -0.070 118.726 118.700 0.160 0.000 2.205 65 N HA -0.232 4.509 4.740 0.002 0.000 0.186 65 N C 1.190 176.825 175.510 0.208 0.000 1.015 65 N CA 2.009 55.269 53.050 0.350 0.000 0.862 65 N CB -0.747 37.947 38.487 0.345 0.000 0.986 65 N HN 0.454 nan 8.380 nan 0.000 0.429 66 D N -0.391 120.005 120.400 -0.007 0.000 2.228 66 D HA -0.179 4.462 4.640 0.002 0.000 0.203 66 D C 1.035 177.346 176.300 0.019 0.000 0.988 66 D CA 0.938 54.886 54.000 -0.085 0.000 0.864 66 D CB -0.066 40.575 40.800 -0.264 0.000 0.928 66 D HN 0.338 nan 8.370 nan 0.000 0.469 67 Y N -1.397 119.001 120.300 0.164 0.000 2.205 67 Y HA 0.041 4.592 4.550 0.002 0.000 0.292 67 Y C 2.052 178.264 175.900 0.519 0.000 1.119 67 Y CA 0.170 58.422 58.100 0.254 0.000 1.117 67 Y CB -1.483 37.067 38.460 0.151 0.000 1.037 67 Y HN 0.029 nan 8.280 nan 0.000 0.510 68 W N 2.268 123.825 121.300 0.429 0.000 2.290 68 W HA -0.275 4.386 4.660 0.002 0.000 0.318 68 W C 1.595 178.213 176.519 0.166 0.000 1.248 68 W CA 2.317 59.815 57.345 0.255 0.000 1.263 68 W CB -0.377 29.177 29.460 0.157 0.000 1.147 68 W HN 0.182 nan 8.180 nan 0.000 0.494 69 E N 0.033 120.299 120.200 0.110 0.000 2.351 69 E HA -0.035 4.316 4.350 0.002 0.000 0.236 69 E C -0.092 176.526 176.600 0.031 0.000 1.341 69 E CA 0.880 57.213 56.400 -0.113 0.000 1.579 69 E CB -0.728 28.901 29.700 -0.119 0.000 1.393 69 E HN 0.358 nan 8.360 nan 0.000 0.438 70 D N -0.487 119.998 120.400 0.143 0.000 2.559 70 D HA 0.042 4.683 4.640 0.002 0.000 0.431 70 D C -0.050 176.404 176.300 0.258 0.000 1.221 70 D CA -0.150 53.978 54.000 0.213 0.000 1.007 70 D CB 0.021 40.997 40.800 0.293 0.000 1.539 70 D HN 0.126 nan 8.370 nan 0.000 0.407 71 M N 0.708 120.395 119.600 0.145 0.000 2.226 71 M HA 0.169 4.650 4.480 0.002 0.000 0.324 71 M C -0.156 176.039 176.300 -0.175 0.000 1.112 71 M CA 0.161 55.316 55.300 -0.241 0.000 1.176 71 M CB 0.568 32.995 32.600 -0.289 0.000 1.430 71 M HN -0.057 nan 8.290 nan 0.000 0.462 72 D N 2.196 122.443 120.400 -0.256 0.000 2.456 72 D HA 0.157 4.798 4.640 0.002 0.000 0.219 72 D C 0.077 176.247 176.300 -0.216 0.000 1.126 72 D CA -0.278 53.632 54.000 -0.149 0.000 0.890 72 D CB 0.612 41.366 40.800 -0.077 0.000 1.025 72 D HN 0.351 nan 8.370 nan 0.000 0.511 73 L N 2.124 123.258 121.223 -0.149 0.000 2.627 73 L HA 0.114 4.455 4.340 0.002 0.000 0.233 73 L C 0.730 177.548 176.870 -0.086 0.000 1.144 73 L CA 0.223 54.992 54.840 -0.118 0.000 0.892 73 L CB -1.550 40.467 42.059 -0.071 0.000 1.039 73 L HN 0.217 nan 8.230 nan 0.000 0.442 74 S N 0.606 116.248 115.700 -0.096 0.000 2.546 74 S HA -0.024 4.447 4.470 0.002 0.000 0.290 74 S C 1.648 176.234 174.600 -0.022 0.000 1.290 74 S CA 0.410 58.573 58.200 -0.062 0.000 1.069 74 S CB 0.938 64.090 63.200 -0.081 0.000 0.846 74 S HN 0.556 nan 8.310 nan 0.000 0.495 75 S N 2.355 118.057 115.700 0.005 0.000 2.387 75 S HA -0.118 4.353 4.470 0.002 0.000 0.230 75 S C 1.196 175.842 174.600 0.076 0.000 1.035 75 S CA 1.196 59.421 58.200 0.042 0.000 1.014 75 S CB -0.135 63.082 63.200 0.028 0.000 0.836 75 S HN 0.561 nan 8.310 nan 0.000 0.466 76 S N 2.410 118.138 115.700 0.046 0.000 2.497 76 S HA 0.352 4.823 4.470 0.002 0.000 0.193 76 S C 0.051 174.679 174.600 0.046 0.000 1.360 76 S CA -1.090 57.147 58.200 0.061 0.000 1.204 76 S CB -0.282 62.932 63.200 0.023 0.000 1.171 76 S HN 0.619 nan 8.310 nan 0.000 0.502 77 R N 0.452 121.011 120.500 0.097 0.000 2.459 77 R HA 0.459 4.800 4.340 0.002 0.000 0.281 77 R C 0.133 176.527 176.300 0.156 0.000 1.050 77 R CA -0.606 55.470 56.100 -0.040 0.000 1.055 77 R CB 0.188 30.357 30.300 -0.219 0.000 1.045 77 R HN 0.101 nan 8.270 nan 0.000 0.495 78 T N 0.729 115.233 114.554 -0.084 0.000 3.060 78 T HA 0.085 4.436 4.350 0.002 0.000 0.249 78 T C -0.689 174.179 174.700 0.281 0.000 1.079 78 T CA 0.422 62.603 62.100 0.135 0.000 1.013 78 T CB -0.289 68.592 68.868 0.022 0.000 0.975 78 T HN 0.686 nan 8.240 nan 0.000 0.518 79 Y N -1.496 118.852 120.300 0.080 0.000 2.705 79 Y HA 0.635 5.186 4.550 0.002 0.000 0.332 79 Y C 0.321 175.900 175.900 -0.536 0.000 1.221 79 Y CA -2.391 55.614 58.100 -0.158 0.000 1.059 79 Y CB 0.150 38.608 38.460 -0.004 0.000 1.298 79 Y HN -0.097 nan 8.280 nan 0.000 0.459 80 I N -1.261 119.151 120.570 -0.264 0.000 3.339 80 I HA 0.390 4.561 4.170 0.002 0.000 0.285 80 I C -0.763 175.093 176.117 -0.435 0.000 1.201 80 I CA 0.341 61.300 61.300 -0.568 0.000 1.434 80 I CB 0.593 38.108 38.000 -0.809 0.000 1.152 80 I HN 0.436 nan 8.210 nan 0.000 0.443 81 W N 0.555 121.842 121.300 -0.022 0.000 2.756 81 W HA 0.202 4.863 4.660 0.001 0.000 0.333 81 W C 0.589 176.857 176.519 -0.418 0.000 1.025 81 W CA -1.275 56.000 57.345 -0.117 0.000 1.246 81 W CB 0.788 30.160 29.460 -0.147 0.000 1.358 81 W HN 0.103 nan 8.180 nan 0.000 0.444 82 Y N 3.435 123.420 120.300 -0.526 0.000 2.062 82 Y HA -0.338 4.213 4.550 0.002 0.000 0.276 82 Y C 2.076 177.712 175.900 -0.440 0.000 1.189 82 Y CA 3.428 60.972 58.100 -0.926 0.000 1.130 82 Y CB -0.369 37.859 38.460 -0.387 0.000 0.959 82 Y HN 0.412 nan 8.280 nan 0.000 0.499 83 A N -0.579 122.117 122.820 -0.206 0.000 2.216 83 A HA 0.051 4.372 4.320 0.002 0.000 0.214 83 A C 1.306 178.758 177.584 -0.220 0.000 1.160 83 A CA 1.172 53.067 52.037 -0.237 0.000 0.725 83 A CB -0.719 18.225 19.000 -0.094 0.000 0.784 83 A HN 0.483 nan 8.150 nan 0.000 0.472 84 L N 0.582 121.700 121.223 -0.176 0.000 3.186 84 L HA 0.205 4.546 4.340 0.002 0.000 0.292 84 L C 0.440 177.260 176.870 -0.084 0.000 1.303 84 L CA -0.530 54.245 54.840 -0.110 0.000 0.940 84 L CB 0.125 42.160 42.059 -0.039 0.000 1.358 84 L HN 0.415 nan 8.230 nan 0.000 0.581 85 R N 0.071 120.469 120.500 -0.170 0.000 2.459 85 R HA 0.686 5.027 4.340 0.002 0.000 0.281 85 R C 0.033 176.346 176.300 0.021 0.000 1.050 85 R CA 0.263 56.331 56.100 -0.054 0.000 1.055 85 R CB 1.217 31.443 30.300 -0.124 0.000 1.045 85 R HN 0.154 nan 8.270 nan 0.000 0.495 86 G N 2.717 111.587 108.800 0.117 0.000 2.445 86 G HA2 -0.153 3.808 3.960 0.002 0.000 0.233 86 G HA3 -0.153 3.808 3.960 0.002 0.000 0.233 86 G C -0.252 174.749 174.900 0.168 0.000 1.308 86 G CA -0.625 44.548 45.100 0.121 0.000 1.179 86 G HN 0.715 nan 8.290 nan 0.000 0.637 87 N N 0.136 118.966 118.700 0.216 0.000 2.588 87 N HA -0.096 4.645 4.740 0.002 0.000 0.190 87 N C 1.993 177.674 175.510 0.284 0.000 1.094 87 N CA 1.379 54.587 53.050 0.262 0.000 0.921 87 N CB 0.253 38.887 38.487 0.244 0.000 0.959 87 N HN 0.736 nan 8.380 nan 0.000 0.448 88 G N -0.373 108.571 108.800 0.240 0.000 2.921 88 G HA2 -0.019 3.942 3.960 0.002 0.000 0.213 88 G HA3 -0.019 3.942 3.960 0.002 0.000 0.213 88 G C 0.283 175.379 174.900 0.325 0.000 1.143 88 G CA -0.052 45.211 45.100 0.272 0.000 0.764 88 G HN 0.133 nan 8.290 nan 0.000 0.542 89 T N 1.995 116.691 114.554 0.235 0.000 2.875 89 T HA 0.314 4.665 4.350 0.002 0.000 0.307 89 T C 1.807 176.560 174.700 0.088 0.000 1.013 89 T CA 0.319 62.528 62.100 0.180 0.000 0.970 89 T CB 1.332 70.255 68.868 0.093 0.000 0.986 89 T HN 0.281 nan 8.240 nan 0.000 0.536 90 S N 2.615 118.373 115.700 0.097 0.000 2.400 90 S HA -0.285 4.186 4.470 0.002 0.000 0.234 90 S C 1.575 175.823 174.600 -0.586 0.000 1.049 90 S CA 1.764 59.712 58.200 -0.420 0.000 1.039 90 S CB -0.446 62.514 63.200 -0.400 0.000 0.856 90 S HN 0.648 nan 8.310 nan 0.000 0.465 91 D N 1.561 121.771 120.400 -0.316 0.000 2.117 91 D HA -0.047 4.594 4.640 0.002 0.000 0.197 91 D C 1.999 178.084 176.300 -0.359 0.000 0.987 91 D CA 1.523 55.274 54.000 -0.415 0.000 0.829 91 D CB -0.428 40.321 40.800 -0.084 0.000 0.961 91 D HN 0.669 nan 8.370 nan 0.000 0.460 92 N N -0.936 117.639 118.700 -0.209 0.000 2.171 92 N HA -0.095 4.646 4.740 0.002 0.000 0.184 92 N C 1.847 177.263 175.510 -0.157 0.000 1.021 92 N CA 0.712 53.669 53.050 -0.156 0.000 0.854 92 N CB 0.336 38.779 38.487 -0.073 0.000 0.994 92 N HN 0.013 nan 8.380 nan 0.000 0.426 93 V N 2.212 122.036 119.914 -0.151 0.000 2.255 93 V HA -0.294 3.827 4.120 0.002 0.000 0.247 93 V C 2.246 178.267 176.094 -0.122 0.000 1.051 93 V CA 1.618 63.868 62.300 -0.083 0.000 1.018 93 V CB -0.863 30.921 31.823 -0.065 0.000 0.641 93 V HN 0.476 nan 8.190 nan 0.000 0.445 94 N N 0.913 119.390 118.700 -0.373 0.000 2.094 94 N HA -0.248 4.493 4.740 0.002 0.000 0.191 94 N C 1.815 177.194 175.510 -0.219 0.000 1.023 94 N CA 2.046 54.871 53.050 -0.376 0.000 0.857 94 N CB -0.115 37.953 38.487 -0.698 0.000 1.013 94 N HN 0.480 nan 8.380 nan 0.000 0.426 95 A N 0.904 123.568 122.820 -0.260 0.000 2.019 95 A HA -0.085 4.236 4.320 0.002 0.000 0.219 95 A C 2.453 179.902 177.584 -0.224 0.000 1.164 95 A CA 1.781 53.673 52.037 -0.242 0.000 0.644 95 A CB -0.726 18.119 19.000 -0.257 0.000 0.805 95 A HN 0.370 nan 8.150 nan 0.000 0.449 96 V N -4.090 115.738 119.914 -0.145 0.000 2.719 96 V HA -0.134 3.987 4.120 0.002 0.000 0.252 96 V C 2.120 178.147 176.094 -0.112 0.000 1.065 96 V CA 1.513 63.769 62.300 -0.073 0.000 1.086 96 V CB -1.221 30.611 31.823 0.015 0.000 0.700 96 V HN 0.493 nan 8.190 nan 0.000 0.467 97 Y N 1.525 121.762 120.300 -0.104 0.000 2.242 97 Y HA -0.041 4.510 4.550 0.002 0.000 0.291 97 Y C 2.761 178.596 175.900 -0.107 0.000 1.137 97 Y CA 2.216 60.253 58.100 -0.105 0.000 1.181 97 Y CB -0.075 38.277 38.460 -0.181 0.000 0.989 97 Y HN 0.314 nan 8.280 nan 0.000 0.527 98 E N -0.542 119.648 120.200 -0.017 0.000 2.107 98 E HA -0.171 4.180 4.350 0.002 0.000 0.191 98 E C 2.285 178.815 176.600 -0.117 0.000 0.982 98 E CA 0.363 56.723 56.400 -0.067 0.000 0.809 98 E CB -0.023 29.605 29.700 -0.120 0.000 0.756 98 E HN 0.278 nan 8.360 nan 0.000 0.459 99 R N 0.755 121.105 120.500 -0.249 0.000 2.094 99 R HA -0.162 4.179 4.340 0.002 0.000 0.239 99 R C 2.470 178.709 176.300 -0.101 0.000 1.137 99 R CA 1.150 56.972 56.100 -0.465 0.000 0.943 99 R CB -0.858 28.935 30.300 -0.845 0.000 0.850 99 R HN 0.242 nan 8.270 nan 0.000 0.433 100 L N 0.134 121.378 121.223 0.034 0.000 1.989 100 L HA -0.203 4.138 4.340 0.002 0.000 0.211 100 L C 2.894 179.799 176.870 0.058 0.000 1.071 100 L CA 1.598 56.488 54.840 0.083 0.000 0.749 100 L CB -0.602 41.468 42.059 0.019 0.000 0.890 100 L HN 0.241 nan 8.230 nan 0.000 0.431 101 R N -0.022 120.506 120.500 0.046 0.000 2.133 101 R HA -0.230 4.111 4.340 0.002 0.000 0.245 101 R C 2.168 178.497 176.300 0.049 0.000 1.137 101 R CA 2.487 58.617 56.100 0.051 0.000 0.947 101 R CB -0.599 29.727 30.300 0.042 0.000 0.865 101 R HN 0.296 nan 8.270 nan 0.000 0.437 102 T N 1.086 115.671 114.554 0.051 0.000 2.759 102 T HA -0.161 4.190 4.350 0.002 0.000 0.269 102 T C 1.807 176.561 174.700 0.091 0.000 1.042 102 T CA 1.927 64.076 62.100 0.081 0.000 1.140 102 T CB -0.113 68.847 68.868 0.154 0.000 0.864 102 T HN 0.328 nan 8.240 nan 0.000 0.455 103 M N 0.583 120.248 119.600 0.108 0.000 2.254 103 M HA 0.087 4.568 4.480 0.002 0.000 0.265 103 M C 2.760 179.066 176.300 0.009 0.000 1.066 103 M CA 0.999 56.341 55.300 0.070 0.000 1.123 103 M CB -0.316 32.336 32.600 0.086 0.000 1.388 103 M HN 0.280 nan 8.290 nan 0.000 0.425 104 A N 0.446 123.281 122.820 0.026 0.000 1.969 104 A HA -0.066 4.255 4.320 0.002 0.000 0.218 104 A C 2.070 179.676 177.584 0.036 0.000 1.169 104 A CA 1.222 53.273 52.037 0.025 0.000 0.635 104 A CB -0.674 18.353 19.000 0.045 0.000 0.810 104 A HN 0.437 nan 8.150 nan 0.000 0.445 105 L N -1.036 120.209 121.223 0.037 0.000 2.131 105 L HA -0.062 4.279 4.340 0.002 0.000 0.206 105 L C 2.939 179.829 176.870 0.033 0.000 1.087 105 L CA 0.810 55.669 54.840 0.032 0.000 0.767 105 L CB -0.320 41.749 42.059 0.018 0.000 0.917 105 L HN 0.401 nan 8.230 nan 0.000 0.441 106 A N -0.218 122.619 122.820 0.028 0.000 2.067 106 A HA -0.026 4.295 4.320 0.002 0.000 0.219 106 A C 2.276 179.890 177.584 0.050 0.000 1.158 106 A CA 1.458 53.512 52.037 0.027 0.000 0.661 106 A CB -0.417 18.594 19.000 0.018 0.000 0.801 106 A HN 0.378 nan 8.150 nan 0.000 0.452 107 A N -1.939 120.904 122.820 0.039 0.000 2.238 107 A HA 0.250 4.571 4.320 0.002 0.000 0.210 107 A C 1.847 179.540 177.584 0.182 0.000 1.179 107 A CA 1.472 53.536 52.037 0.046 0.000 0.827 107 A CB -0.138 18.831 19.000 -0.053 0.000 0.856 107 A HN 0.330 nan 8.150 nan 0.000 0.488 108 T N -1.560 113.109 114.554 0.192 0.000 2.999 108 T HA 0.100 4.451 4.350 0.002 0.000 0.247 108 T C 0.967 175.746 174.700 0.133 0.000 1.012 108 T CA 0.784 63.034 62.100 0.251 0.000 1.048 108 T CB 0.119 69.068 68.868 0.135 0.000 1.020 108 T HN 0.329 nan 8.240 nan 0.000 0.478 109 T N 3.580 118.145 114.554 0.018 0.000 2.799 109 T HA 0.321 4.672 4.350 0.002 0.000 0.296 109 T C 0.213 174.725 174.700 -0.314 0.000 0.947 109 T CA -0.255 61.772 62.100 -0.121 0.000 1.141 109 T CB -0.036 68.788 68.868 -0.074 0.000 0.891 109 T HN -0.052 nan 8.240 nan 0.000 0.533 110 V N 5.730 125.346 119.914 -0.496 0.000 2.694 110 V HA 0.382 4.503 4.120 0.002 0.000 0.306 110 V C 1.800 177.710 176.094 -0.306 0.000 1.054 110 V CA 1.422 63.338 62.300 -0.639 0.000 1.161 110 V CB 0.599 32.148 31.823 -0.456 0.000 0.916 110 V HN 1.289 nan 8.190 nan 0.000 0.490 111 G N 3.493 112.157 108.800 -0.226 0.000 2.213 111 G HA2 -0.244 3.717 3.960 0.002 0.000 0.236 111 G HA3 -0.244 3.717 3.960 0.002 0.000 0.236 111 G C 0.498 175.373 174.900 -0.042 0.000 0.991 111 G CA 0.231 45.273 45.100 -0.096 0.000 0.629 111 G HN 1.043 nan 8.290 nan 0.000 0.517 112 S N 0.273 115.954 115.700 -0.032 0.000 2.564 112 S HA 0.534 5.005 4.470 0.002 0.000 0.278 112 S C 1.692 176.336 174.600 0.075 0.000 1.333 112 S CA 0.796 59.012 58.200 0.027 0.000 1.048 112 S CB 1.084 64.313 63.200 0.047 0.000 0.900 112 S HN 0.577 nan 8.310 nan 0.000 0.505 113 S N 3.674 119.407 115.700 0.055 0.000 2.537 113 S HA 0.064 4.535 4.470 0.002 0.000 0.240 113 S C 0.815 175.465 174.600 0.084 0.000 0.981 113 S CA 0.664 58.903 58.200 0.065 0.000 0.948 113 S CB -0.392 62.840 63.200 0.053 0.000 0.759 113 S HN 0.714 nan 8.310 nan 0.000 0.531 114 L N -0.340 120.933 121.223 0.084 0.000 3.267 114 L HA 0.368 4.709 4.340 0.002 0.000 0.289 114 L C -0.386 176.523 176.870 0.065 0.000 1.260 114 L CA -0.547 54.324 54.840 0.052 0.000 1.034 114 L CB -0.025 42.033 42.059 -0.002 0.000 1.413 114 L HN 0.141 nan 8.230 nan 0.000 0.594 115 Y N 1.995 122.284 120.300 -0.019 0.000 2.605 115 Y HA 0.416 4.966 4.550 0.001 0.000 0.336 115 Y C 1.306 177.196 175.900 -0.017 0.000 1.111 115 Y CA 0.824 58.912 58.100 -0.019 0.000 1.422 115 Y CB 0.599 39.053 38.460 -0.009 0.000 1.193 115 Y HN 0.341 nan 8.280 nan 0.000 0.526 116 G N 4.500 113.001 108.800 -0.498 0.000 2.317 116 G HA2 -0.342 3.619 3.960 0.002 0.000 0.227 116 G HA3 -0.342 3.619 3.960 0.002 0.000 0.227 116 G C 0.505 175.274 174.900 -0.217 0.000 1.042 116 G CA 0.025 44.848 45.100 -0.462 0.000 0.623 116 G HN 0.821 nan 8.290 nan 0.000 0.509 117 N N 2.021 120.631 118.700 -0.149 0.000 2.202 117 N HA 0.161 4.902 4.740 0.002 0.000 0.283 117 N C 1.674 177.108 175.510 -0.126 0.000 1.391 117 N CA 1.175 54.160 53.050 -0.107 0.000 0.910 117 N CB 0.348 38.758 38.487 -0.129 0.000 1.267 117 N HN 0.858 nan 8.380 nan 0.000 0.493 118 A N 4.190 126.966 122.820 -0.075 0.000 1.902 118 A HA -0.168 4.153 4.320 0.002 0.000 0.217 118 A C 1.757 179.316 177.584 -0.040 0.000 1.181 118 A CA 1.612 53.615 52.037 -0.058 0.000 0.623 118 A CB -0.265 18.717 19.000 -0.030 0.000 0.818 118 A HN 0.686 nan 8.150 nan 0.000 0.443 119 D N -0.707 119.700 120.400 0.013 0.000 2.149 119 D HA -0.138 4.503 4.640 0.002 0.000 0.198 119 D C 1.757 178.058 176.300 0.002 0.000 0.990 119 D CA 1.090 55.147 54.000 0.094 0.000 0.839 119 D CB -0.158 40.798 40.800 0.261 0.000 0.948 119 D HN 0.332 nan 8.370 nan 0.000 0.460 120 L N 1.195 122.240 121.223 -0.296 0.000 1.994 120 L HA -0.156 4.185 4.340 0.002 0.000 0.208 120 L C 1.707 178.367 176.870 -0.350 0.000 1.071 120 L CA 1.854 56.249 54.840 -0.742 0.000 0.745 120 L CB -0.508 41.002 42.059 -0.915 0.000 0.892 120 L HN -0.110 nan 8.230 nan 0.000 0.431 121 K N -0.595 119.680 120.400 -0.210 0.000 2.044 121 K HA -0.270 4.051 4.320 0.002 0.000 0.210 121 K C 2.053 178.621 176.600 -0.052 0.000 1.049 121 K CA 1.746 57.969 56.287 -0.105 0.000 0.927 121 K CB -0.290 32.170 32.500 -0.068 0.000 0.713 121 K HN 0.306 nan 8.250 nan 0.000 0.443 122 E N 1.657 121.840 120.200 -0.029 0.000 2.049 122 E HA -0.217 4.134 4.350 0.002 0.000 0.198 122 E C 1.541 178.157 176.600 0.026 0.000 1.007 122 E CA 1.921 58.330 56.400 0.015 0.000 0.809 122 E CB -0.271 29.451 29.700 0.035 0.000 0.749 122 E HN 0.159 nan 8.360 nan 0.000 0.450 123 D N -0.036 120.383 120.400 0.032 0.000 2.158 123 D HA -0.170 4.471 4.640 0.002 0.000 0.197 123 D C 1.932 178.229 176.300 -0.006 0.000 0.995 123 D CA 1.069 55.100 54.000 0.052 0.000 0.846 123 D CB -0.209 40.693 40.800 0.170 0.000 0.941 123 D HN 0.249 nan 8.370 nan 0.000 0.456 124 I N 0.401 120.947 120.570 -0.041 0.000 2.127 124 I HA -0.240 3.931 4.170 0.002 0.000 0.241 124 I C 2.488 178.605 176.117 0.000 0.000 1.075 124 I CA 0.905 62.183 61.300 -0.037 0.000 1.334 124 I CB -1.097 36.879 38.000 -0.040 0.000 1.040 124 I HN 0.050 nan 8.210 nan 0.000 0.405 125 L N 0.534 121.779 121.223 0.038 0.000 2.042 125 L HA -0.232 4.109 4.340 0.002 0.000 0.210 125 L C 2.307 179.254 176.870 0.129 0.000 1.076 125 L CA 1.586 56.489 54.840 0.106 0.000 0.749 125 L CB -0.826 41.307 42.059 0.124 0.000 0.893 125 L HN 0.226 nan 8.230 nan 0.000 0.432 126 D N 0.037 120.493 120.400 0.092 0.000 2.116 126 D HA -0.235 4.406 4.640 0.002 0.000 0.193 126 D C 2.241 178.621 176.300 0.133 0.000 0.998 126 D CA 1.759 55.827 54.000 0.113 0.000 0.836 126 D CB -0.109 40.734 40.800 0.073 0.000 0.951 126 D HN 0.383 nan 8.370 nan 0.000 0.449 127 A N 0.873 123.709 122.820 0.027 0.000 1.933 127 A HA -0.140 4.181 4.320 0.002 0.000 0.218 127 A C 2.471 180.101 177.584 0.078 0.000 1.175 127 A CA 0.910 52.920 52.037 -0.044 0.000 0.628 127 A CB -0.718 18.161 19.000 -0.201 0.000 0.814 127 A HN 0.188 nan 8.150 nan 0.000 0.444 128 L N 0.139 121.407 121.223 0.076 0.000 1.955 128 L HA -0.229 4.112 4.340 0.002 0.000 0.213 128 L C 2.369 179.427 176.870 0.312 0.000 1.072 128 L CA 1.811 56.708 54.840 0.094 0.000 0.755 128 L CB -1.057 40.959 42.059 -0.071 0.000 0.888 128 L HN 0.446 nan 8.230 nan 0.000 0.432 129 D N -0.790 119.852 120.400 0.403 0.000 2.149 129 D HA -0.277 4.364 4.640 0.002 0.000 0.198 129 D C 1.891 178.428 176.300 0.395 0.000 0.990 129 D CA 1.283 55.551 54.000 0.446 0.000 0.839 129 D CB -0.655 40.335 40.800 0.317 0.000 0.948 129 D HN 0.503 nan 8.370 nan 0.000 0.460 130 W N 1.055 122.446 121.300 0.152 0.000 2.325 130 W HA -0.195 4.466 4.660 0.001 0.000 0.299 130 W C 1.712 178.298 176.519 0.113 0.000 1.215 130 W CA 0.949 58.351 57.345 0.095 0.000 1.244 130 W CB -0.069 29.408 29.460 0.028 0.000 1.140 130 W HN -0.097 nan 8.180 nan 0.000 0.523 131 L N -0.703 120.844 121.223 0.540 0.000 2.418 131 L HA -0.094 4.247 4.340 0.002 0.000 0.218 131 L C 1.986 179.080 176.870 0.373 0.000 1.125 131 L CA 1.121 56.241 54.840 0.466 0.000 0.835 131 L CB -1.610 40.692 42.059 0.406 0.000 0.953 131 L HN 0.121 nan 8.230 nan 0.000 0.454 132 Y N -0.679 119.787 120.300 0.277 0.000 2.200 132 Y HA -0.200 4.351 4.550 0.002 0.000 0.290 132 Y C 2.442 178.397 175.900 0.093 0.000 1.137 132 Y CA 1.869 60.104 58.100 0.226 0.000 1.163 132 Y CB -0.227 38.368 38.460 0.226 0.000 0.988 132 Y HN -0.011 nan 8.280 nan 0.000 0.518 133 V N 0.502 120.290 119.914 -0.211 0.000 2.599 133 V HA -0.126 3.995 4.120 0.002 0.000 0.245 133 V C 1.411 177.320 176.094 -0.310 0.000 1.046 133 V CA 2.137 64.222 62.300 -0.360 0.000 1.065 133 V CB -0.479 31.216 31.823 -0.212 0.000 0.703 133 V HN 0.560 nan 8.190 nan 0.000 0.464 134 N N -0.820 117.679 118.700 -0.335 0.000 2.463 134 N HA -0.009 4.732 4.740 0.002 0.000 0.181 134 N C 1.310 176.767 175.510 -0.088 0.000 1.078 134 N CA 0.968 53.792 53.050 -0.377 0.000 0.902 134 N CB 0.399 38.279 38.487 -1.013 0.000 0.970 134 N HN 0.490 nan 8.380 nan 0.000 0.451 135 S N -1.088 114.638 115.700 0.044 0.000 5.436 135 S HA 0.042 4.513 4.470 0.002 0.000 0.141 135 S C -0.894 173.869 174.600 0.271 0.000 1.082 135 S CA -0.617 57.699 58.200 0.193 0.000 1.393 135 S CB -0.570 62.838 63.200 0.347 0.000 2.010 135 S HN 0.242 nan 8.310 nan 0.000 0.610 136 Y N 5.258 125.714 120.300 0.259 0.000 2.624 136 Y HA 0.445 4.996 4.550 0.001 0.000 0.354 136 Y C -0.001 176.052 175.900 0.255 0.000 1.051 136 Y CA 0.347 58.634 58.100 0.312 0.000 1.377 136 Y CB -0.031 38.692 38.460 0.438 0.000 1.168 136 Y HN 0.585 nan 8.280 nan 0.000 0.525 137 N N 0.623 119.334 118.700 0.018 0.000 3.261 137 N HA -0.043 4.698 4.740 0.002 0.000 0.248 137 N C -0.204 175.169 175.510 -0.229 0.000 1.498 137 N CA -0.133 52.837 53.050 -0.134 0.000 0.884 137 N CB 0.572 38.745 38.487 -0.522 0.000 1.428 137 N HN 0.353 nan 8.380 nan 0.000 0.517 138 S N -1.559 113.888 115.700 -0.421 0.000 2.595 138 S HA -0.054 4.417 4.470 0.002 0.000 0.235 138 S C 0.991 175.198 174.600 -0.656 0.000 0.974 138 S CA 1.207 58.848 58.200 -0.931 0.000 0.942 138 S CB -0.855 61.823 63.200 -0.870 0.000 0.766 138 S HN 0.618 nan 8.310 nan 0.000 0.536 139 T N 1.995 116.323 114.554 -0.375 0.000 2.995 139 T HA 0.079 4.430 4.350 0.002 0.000 0.269 139 T C 0.966 175.553 174.700 -0.188 0.000 1.091 139 T CA 0.600 62.548 62.100 -0.252 0.000 1.128 139 T CB -0.011 68.735 68.868 -0.203 0.000 0.891 139 T HN 0.548 nan 8.240 nan 0.000 0.492 140 R N 1.003 121.405 120.500 -0.164 0.000 2.549 140 R HA 0.597 4.938 4.340 0.002 0.000 0.259 140 R C -0.126 176.162 176.300 -0.019 0.000 1.095 140 R CA -0.476 55.569 56.100 -0.091 0.000 1.148 140 R CB 0.576 30.800 30.300 -0.125 0.000 1.181 140 R HN 0.013 nan 8.270 nan 0.000 0.571 141 S N 0.242 115.951 115.700 0.016 0.000 2.617 141 S HA 0.241 4.712 4.470 0.002 0.000 0.283 141 S C 0.536 175.235 174.600 0.166 0.000 1.189 141 S CA -0.806 57.442 58.200 0.080 0.000 1.036 141 S CB 1.347 64.582 63.200 0.059 0.000 1.014 141 S HN 0.446 nan 8.310 nan 0.000 0.522 142 R N 0.778 121.342 120.500 0.107 0.000 2.541 142 R HA 0.179 4.520 4.340 0.002 0.000 0.245 142 R C 1.025 177.474 176.300 0.248 0.000 1.154 142 R CA 0.058 56.277 56.100 0.198 0.000 1.179 142 R CB -0.053 30.198 30.300 -0.081 0.000 1.189 142 R HN 0.451 nan 8.270 nan 0.000 0.526 143 S N -0.122 115.717 115.700 0.231 0.000 2.631 143 S HA 0.246 4.717 4.470 0.002 0.000 0.246 143 S C 0.654 175.446 174.600 0.319 0.000 1.068 143 S CA -0.019 58.327 58.200 0.243 0.000 0.995 143 S CB 0.366 63.652 63.200 0.142 0.000 0.944 143 S HN 0.393 nan 8.310 nan 0.000 0.529 144 A N 1.801 124.785 122.820 0.275 0.000 2.632 144 A HA 0.092 4.413 4.320 0.002 0.000 0.231 144 A C 0.038 177.927 177.584 0.508 0.000 1.027 144 A CA 0.289 52.524 52.037 0.329 0.000 0.759 144 A CB -0.807 18.286 19.000 0.155 0.000 0.939 144 A HN 0.704 nan 8.150 nan 0.000 0.505 145 Y N 2.861 123.370 120.300 0.350 0.000 3.059 145 Y HA -0.121 4.430 4.550 0.002 0.000 0.343 145 Y C 0.967 177.042 175.900 0.293 0.000 1.273 145 Y CA 1.554 59.829 58.100 0.291 0.000 1.572 145 Y CB -0.054 38.532 38.460 0.211 0.000 1.228 145 Y HN 0.897 nan 8.280 nan 0.000 0.610 146 N N 5.526 123.803 118.700 -0.705 0.000 2.648 146 N HA -0.236 4.505 4.740 0.002 0.000 0.265 146 N C 0.660 175.905 175.510 -0.442 0.000 1.100 146 N CA 0.957 53.508 53.050 -0.831 0.000 0.715 146 N CB -0.881 36.951 38.487 -1.092 0.000 0.881 146 N HN 0.941 nan 8.380 nan 0.000 0.548 147 W N -1.079 120.253 121.300 0.053 0.000 2.364 147 W HA -0.176 4.485 4.660 0.001 0.000 0.281 147 W C 1.725 178.294 176.519 0.084 0.000 1.219 147 W CA 0.478 57.956 57.345 0.221 0.000 1.220 147 W CB -1.297 28.264 29.460 0.169 0.000 1.127 147 W HN 0.544 nan 8.180 nan 0.000 0.556 148 W N 2.254 122.510 121.300 -1.740 0.000 2.317 148 W HA -0.252 4.409 4.660 0.002 0.000 0.318 148 W C 2.745 178.782 176.519 -0.804 0.000 1.227 148 W CA 3.315 59.704 57.345 -1.593 0.000 1.269 148 W CB -1.116 27.369 29.460 -1.624 0.000 1.155 148 W HN 0.001 nan 8.180 nan 0.000 0.484 149 H N -2.619 116.121 119.070 -0.550 0.000 2.319 149 H HA -0.228 4.329 4.556 0.002 0.000 0.299 149 H C 1.927 176.759 175.328 -0.827 0.000 1.092 149 H CA 2.039 57.654 56.048 -0.720 0.000 1.302 149 H CB -0.802 28.449 29.762 -0.852 0.000 1.373 149 H HN 0.253 nan 8.280 nan 0.000 0.497 150 W N 0.968 122.096 121.300 -0.287 0.000 2.409 150 W HA -0.092 4.569 4.660 0.001 0.000 0.299 150 W C 2.313 178.581 176.519 -0.419 0.000 1.203 150 W CA 0.507 57.585 57.345 -0.445 0.000 1.298 150 W CB 0.101 29.386 29.460 -0.291 0.000 1.127 150 W HN 0.222 nan 8.180 nan 0.000 0.528 151 Q N -0.455 119.362 119.800 0.029 0.000 2.376 151 Q HA 0.098 4.439 4.340 0.002 0.000 0.206 151 Q C 1.760 177.674 176.000 -0.142 0.000 0.921 151 Q CA 0.763 56.630 55.803 0.106 0.000 0.911 151 Q CB 0.165 29.106 28.738 0.339 0.000 1.032 151 Q HN 0.398 nan 8.270 nan 0.000 0.510 152 L N -1.777 119.123 121.223 -0.539 0.000 2.775 152 L HA 0.284 4.625 4.340 0.002 0.000 0.175 152 L C 2.224 178.522 176.870 -0.955 0.000 1.110 152 L CA 0.509 54.894 54.840 -0.759 0.000 0.862 152 L CB -0.764 40.628 42.059 -1.112 0.000 1.381 152 L HN 0.150 nan 8.230 nan 0.000 0.499 153 G N 1.243 109.146 108.800 -1.496 0.000 2.586 153 G HA2 -0.264 3.697 3.960 0.002 0.000 0.218 153 G HA3 -0.264 3.697 3.960 0.002 0.000 0.218 153 G C 1.499 176.026 174.900 -0.623 0.000 1.216 153 G CA 1.330 45.780 45.100 -1.082 0.000 0.786 153 G HN 0.199 nan 8.290 nan 0.000 0.583 154 I N 2.021 122.188 120.570 -0.673 0.000 2.226 154 I HA -0.101 4.070 4.170 0.002 0.000 0.245 154 I C 0.005 175.728 176.117 -0.657 0.000 1.100 154 I CA 1.116 61.938 61.300 -0.797 0.000 1.374 154 I CB -0.622 36.642 38.000 -1.227 0.000 1.057 154 I HN 0.228 nan 8.210 nan 0.000 0.413 155 P HA -0.136 nan 4.420 nan 0.000 0.223 155 P C 1.719 178.924 177.300 -0.159 0.000 1.151 155 P CA 1.489 64.472 63.100 -0.195 0.000 0.787 155 P CB -0.026 31.645 31.700 -0.049 0.000 0.788 156 M N -0.719 118.753 119.600 -0.214 0.000 2.200 156 M HA -0.068 4.413 4.480 0.002 0.000 0.265 156 M C 2.167 178.443 176.300 -0.039 0.000 1.066 156 M CA 1.533 56.769 55.300 -0.107 0.000 1.127 156 M CB -0.535 31.984 32.600 -0.135 0.000 1.379 156 M HN -0.077 nan 8.290 nan 0.000 0.420 157 S N 0.622 116.267 115.700 -0.092 0.000 2.395 157 S HA -0.021 4.450 4.470 0.002 0.000 0.225 157 S C 1.762 176.379 174.600 0.028 0.000 1.027 157 S CA 0.577 58.771 58.200 -0.010 0.000 0.965 157 S CB -0.200 62.997 63.200 -0.005 0.000 0.812 157 S HN 0.360 nan 8.310 nan 0.000 0.482 158 L N 2.911 124.109 121.223 -0.041 0.000 2.012 158 L HA -0.113 4.228 4.340 0.002 0.000 0.210 158 L C 1.759 178.655 176.870 0.044 0.000 1.073 158 L CA 1.811 56.653 54.840 0.003 0.000 0.748 158 L CB -1.530 40.494 42.059 -0.059 0.000 0.891 158 L HN 0.257 nan 8.230 nan 0.000 0.431 159 N N 0.578 119.300 118.700 0.037 0.000 2.043 159 N HA -0.206 4.535 4.740 0.002 0.000 0.193 159 N C 1.434 177.015 175.510 0.118 0.000 1.037 159 N CA 1.794 54.876 53.050 0.055 0.000 0.851 159 N CB -0.399 38.086 38.487 -0.004 0.000 1.027 159 N HN 0.387 nan 8.380 nan 0.000 0.422 160 D N 0.034 120.535 120.400 0.169 0.000 2.182 160 D HA -0.080 4.561 4.640 0.002 0.000 0.201 160 D C 1.723 178.127 176.300 0.174 0.000 0.986 160 D CA 1.032 55.180 54.000 0.245 0.000 0.847 160 D CB -0.486 40.454 40.800 0.233 0.000 0.942 160 D HN 0.279 nan 8.370 nan 0.000 0.467 161 T N 0.573 115.202 114.554 0.126 0.000 2.737 161 T HA -0.061 4.290 4.350 0.002 0.000 0.265 161 T C 2.055 176.834 174.700 0.132 0.000 1.038 161 T CA 1.363 63.526 62.100 0.105 0.000 1.144 161 T CB -0.301 68.607 68.868 0.066 0.000 0.866 161 T HN 0.188 nan 8.240 nan 0.000 0.434 162 A N 1.286 124.193 122.820 0.144 0.000 1.873 162 A HA -0.127 4.194 4.320 0.002 0.000 0.218 162 A C 2.589 180.323 177.584 0.250 0.000 1.193 162 A CA 1.864 54.029 52.037 0.213 0.000 0.629 162 A CB -1.255 17.872 19.000 0.210 0.000 0.826 162 A HN 0.343 nan 8.150 nan 0.000 0.447 163 V N 0.111 120.145 119.914 0.199 0.000 2.287 163 V HA -0.276 3.845 4.120 0.002 0.000 0.248 163 V C 2.575 178.790 176.094 0.202 0.000 1.053 163 V CA 2.078 64.489 62.300 0.185 0.000 1.027 163 V CB -0.796 31.183 31.823 0.259 0.000 0.646 163 V HN 0.566 nan 8.190 nan 0.000 0.447 164 L N -0.892 120.442 121.223 0.185 0.000 2.109 164 L HA -0.068 4.273 4.340 0.002 0.000 0.207 164 L C 1.871 178.833 176.870 0.154 0.000 1.086 164 L CA 0.952 55.884 54.840 0.153 0.000 0.760 164 L CB -0.303 41.827 42.059 0.118 0.000 0.910 164 L HN 0.293 nan 8.230 nan 0.000 0.437 165 L N -1.548 119.772 121.223 0.161 0.000 2.700 165 L HA -0.002 4.339 4.340 0.002 0.000 0.234 165 L C 1.823 178.799 176.870 0.177 0.000 1.156 165 L CA 0.347 55.270 54.840 0.139 0.000 0.946 165 L CB -1.024 41.098 42.059 0.105 0.000 1.216 165 L HN 0.215 nan 8.230 nan 0.000 0.493 166 Y N 2.080 122.432 120.300 0.087 0.000 2.038 166 Y HA -0.393 4.158 4.550 0.001 0.000 0.266 166 Y C 2.216 178.153 175.900 0.062 0.000 1.220 166 Y CA 2.260 60.408 58.100 0.081 0.000 1.107 166 Y CB 0.079 38.587 38.460 0.080 0.000 0.932 166 Y HN 0.351 nan 8.280 nan 0.000 0.500 167 D N -0.043 120.405 120.400 0.079 0.000 2.120 167 D HA -0.208 4.433 4.640 0.002 0.000 0.191 167 D C 1.248 177.510 176.300 -0.064 0.000 0.994 167 D CA 2.001 55.984 54.000 -0.028 0.000 0.838 167 D CB -0.839 39.991 40.800 0.049 0.000 0.976 167 D HN 0.447 nan 8.370 nan 0.000 0.447 168 D N 0.176 120.571 120.400 -0.008 0.000 2.404 168 D HA 0.043 4.684 4.640 0.002 0.000 0.256 168 D C -0.022 176.274 176.300 -0.006 0.000 1.189 168 D CA 0.377 54.372 54.000 -0.007 0.000 0.965 168 D CB -0.359 40.447 40.800 0.010 0.000 0.901 168 D HN 0.293 nan 8.370 nan 0.000 0.517 169 I N 0.115 120.656 120.570 -0.048 0.000 2.509 169 I HA 0.168 4.339 4.170 0.002 0.000 0.293 169 I C 0.519 176.570 176.117 -0.110 0.000 1.020 169 I CA -1.005 60.272 61.300 -0.038 0.000 1.088 169 I CB 1.925 39.937 38.000 0.019 0.000 1.267 169 I HN -0.113 nan 8.210 nan 0.000 0.430 170 S N 3.975 119.616 115.700 -0.099 0.000 2.645 170 S HA 0.468 4.939 4.470 0.002 0.000 0.266 170 S C 1.074 175.582 174.600 -0.154 0.000 1.258 170 S CA -0.057 58.072 58.200 -0.119 0.000 0.990 170 S CB 1.668 64.809 63.200 -0.099 0.000 0.967 170 S HN 0.736 nan 8.310 nan 0.000 0.556 171 A N 1.309 124.047 122.820 -0.137 0.000 1.873 171 A HA 0.196 4.517 4.320 0.002 0.000 0.215 171 A C 2.368 179.856 177.584 -0.161 0.000 1.186 171 A CA 1.694 53.650 52.037 -0.135 0.000 0.616 171 A CB -1.674 17.265 19.000 -0.103 0.000 0.823 171 A HN 1.309 nan 8.150 nan 0.000 0.442 172 A N -0.539 122.184 122.820 -0.162 0.000 1.929 172 A HA -0.068 4.253 4.320 0.002 0.000 0.216 172 A C 2.191 179.594 177.584 -0.302 0.000 1.176 172 A CA 1.736 53.658 52.037 -0.191 0.000 0.628 172 A CB -0.425 18.487 19.000 -0.147 0.000 0.816 172 A HN 0.512 nan 8.150 nan 0.000 0.444 173 R N -1.233 119.067 120.500 -0.333 0.000 2.080 173 R HA -0.064 4.277 4.340 0.002 0.000 0.236 173 R C 1.997 177.698 176.300 -1.000 0.000 1.137 173 R CA 1.770 57.527 56.100 -0.571 0.000 0.943 173 R CB -0.305 29.777 30.300 -0.364 0.000 0.846 173 R HN 0.342 nan 8.270 nan 0.000 0.431 174 M N 0.095 119.348 119.600 -0.578 0.000 2.706 174 M HA -0.018 4.463 4.480 0.002 0.000 0.251 174 M C 1.467 177.617 176.300 -0.250 0.000 1.070 174 M CA 1.080 56.171 55.300 -0.349 0.000 1.073 174 M CB -0.519 32.019 32.600 -0.104 0.000 1.449 174 M HN 0.386 nan 8.290 nan 0.000 0.531 175 A N -0.700 121.921 122.820 -0.332 0.000 1.920 175 A HA -0.032 4.289 4.320 0.002 0.000 0.209 175 A C 1.984 179.412 177.584 -0.260 0.000 1.229 175 A CA 1.407 53.312 52.037 -0.219 0.000 0.671 175 A CB -0.912 17.969 19.000 -0.198 0.000 0.886 175 A HN 0.519 nan 8.150 nan 0.000 0.461 176 T N -2.299 111.977 114.554 -0.463 0.000 2.897 176 T HA -0.190 4.161 4.350 0.002 0.000 0.271 176 T C 1.628 176.206 174.700 -0.202 0.000 1.084 176 T CA 1.590 63.293 62.100 -0.662 0.000 1.123 176 T CB -0.711 67.480 68.868 -1.129 0.000 0.865 176 T HN 0.605 nan 8.240 nan 0.000 0.496 177 Y N 0.039 120.266 120.300 -0.122 0.000 2.163 177 Y HA 0.172 4.723 4.550 0.001 0.000 0.288 177 Y C 2.716 178.644 175.900 0.046 0.000 1.112 177 Y CA 0.164 58.282 58.100 0.030 0.000 1.104 177 Y CB -0.273 38.226 38.460 0.066 0.000 1.016 177 Y HN 0.112 nan 8.280 nan 0.000 0.497 178 M N 0.682 120.397 119.600 0.192 0.000 2.229 178 M HA -0.149 4.332 4.480 0.002 0.000 0.264 178 M C 0.994 177.339 176.300 0.075 0.000 1.063 178 M CA 1.512 56.881 55.300 0.114 0.000 1.114 178 M CB -0.596 32.047 32.600 0.071 0.000 1.387 178 M HN 0.135 nan 8.290 nan 0.000 0.420 179 D N -1.410 119.013 120.400 0.037 0.000 2.117 179 D HA -0.160 4.481 4.640 0.002 0.000 0.198 179 D C 1.967 178.312 176.300 0.076 0.000 0.982 179 D CA 1.759 55.774 54.000 0.026 0.000 0.828 179 D CB -0.156 40.628 40.800 -0.026 0.000 0.967 179 D HN 0.331 nan 8.370 nan 0.000 0.464 180 T N -0.530 114.082 114.554 0.097 0.000 2.821 180 T HA -0.069 4.282 4.350 0.002 0.000 0.267 180 T C 1.911 176.752 174.700 0.235 0.000 1.046 180 T CA 0.676 62.852 62.100 0.125 0.000 1.139 180 T CB -0.278 68.641 68.868 0.085 0.000 0.871 180 T HN 0.087 nan 8.240 nan 0.000 0.454 181 I N 0.969 121.663 120.570 0.207 0.000 2.252 181 I HA -0.111 4.060 4.170 0.002 0.000 0.245 181 I C 2.541 178.778 176.117 0.200 0.000 1.102 181 I CA 1.534 62.981 61.300 0.245 0.000 1.385 181 I CB -0.426 37.677 38.000 0.173 0.000 1.064 181 I HN 0.298 nan 8.210 nan 0.000 0.414 182 D N 0.193 120.672 120.400 0.132 0.000 2.218 182 D HA -0.247 4.394 4.640 0.002 0.000 0.204 182 D C 1.940 178.288 176.300 0.079 0.000 0.976 182 D CA 1.180 55.229 54.000 0.082 0.000 0.853 182 D CB 0.038 40.869 40.800 0.052 0.000 0.939 182 D HN 0.367 nan 8.370 nan 0.000 0.481 183 Y N 0.372 120.660 120.300 -0.021 0.000 2.092 183 Y HA -0.199 4.352 4.550 0.002 0.000 0.282 183 Y C 2.052 177.869 175.900 -0.138 0.000 1.126 183 Y CA 1.685 59.702 58.100 -0.138 0.000 1.111 183 Y CB -0.980 37.309 38.460 -0.284 0.000 0.987 183 Y HN -0.165 nan 8.280 nan 0.000 0.489 184 F N 0.173 120.010 119.950 -0.188 0.000 2.126 184 F HA -0.112 4.416 4.527 0.001 0.000 0.299 184 F C 1.082 176.811 175.800 -0.118 0.000 1.096 184 F CA 1.848 59.725 58.000 -0.204 0.000 1.255 184 F CB -0.558 38.516 39.000 0.123 0.000 0.997 184 F HN -0.058 nan 8.300 nan 0.000 0.479 185 T N 1.293 115.922 114.554 0.125 0.000 3.209 185 T HA 0.182 4.533 4.350 0.002 0.000 0.366 185 T C -1.935 172.782 174.700 0.028 0.000 1.293 185 T CA -0.873 61.269 62.100 0.070 0.000 1.417 185 T CB 1.542 70.470 68.868 0.100 0.000 1.013 185 T HN -0.057 nan 8.240 nan 0.000 0.572 186 P HA 0.202 nan 4.420 nan 0.000 0.239 186 P C 0.184 177.476 177.300 -0.012 0.000 1.188 186 P CA 0.074 63.166 63.100 -0.014 0.000 0.794 186 P CB 0.658 32.338 31.700 -0.035 0.000 0.937 194 G N 1.824 110.622 108.800 -0.004 0.000 3.451 194 G HA2 -0.250 3.711 3.960 0.002 0.000 0.371 194 G HA3 -0.250 3.711 3.960 0.002 0.000 0.371 194 G C 1.742 176.626 174.900 -0.025 0.000 0.895 194 G CA 2.256 47.364 45.100 0.012 0.000 0.744 194 G HN 1.600 nan 8.290 nan 0.000 1.227 195 A N -0.204 122.570 122.820 -0.077 0.000 1.903 195 A HA -0.237 4.084 4.320 0.002 0.000 0.219 195 A C 2.302 179.733 177.584 -0.256 0.000 1.191 195 A CA 2.688 54.530 52.037 -0.325 0.000 0.638 195 A CB -0.666 18.163 19.000 -0.285 0.000 0.823 195 A HN 0.644 nan 8.150 nan 0.000 0.451 196 N N -0.784 118.019 118.700 0.173 0.000 2.142 196 N HA -0.166 4.575 4.740 0.002 0.000 0.186 196 N C 1.925 177.628 175.510 0.322 0.000 1.023 196 N CA 1.480 54.842 53.050 0.519 0.000 0.852 196 N CB -0.468 38.324 38.487 0.509 0.000 0.998 196 N HN 0.691 nan 8.380 nan 0.000 0.424 197 R N 1.154 121.741 120.500 0.146 0.000 2.073 197 R HA -0.053 4.288 4.340 0.002 0.000 0.234 197 R C 2.080 178.421 176.300 0.068 0.000 1.134 197 R CA 1.558 57.710 56.100 0.087 0.000 0.952 197 R CB -0.235 30.084 30.300 0.032 0.000 0.850 197 R HN 0.148 nan 8.270 nan 0.000 0.433 198 A N 0.420 123.244 122.820 0.006 0.000 1.933 198 A HA -0.161 4.160 4.320 0.002 0.000 0.218 198 A C 1.866 179.490 177.584 0.067 0.000 1.175 198 A CA 1.130 53.150 52.037 -0.027 0.000 0.628 198 A CB -0.876 18.052 19.000 -0.120 0.000 0.814 198 A HN 0.571 nan 8.150 nan 0.000 0.444 199 W N 0.417 121.779 121.300 0.104 0.000 2.388 199 W HA -0.123 4.538 4.660 0.001 0.000 0.294 199 W C 2.458 178.992 176.519 0.025 0.000 1.212 199 W CA 1.214 58.606 57.345 0.079 0.000 1.271 199 W CB -0.870 28.660 29.460 0.116 0.000 1.126 199 W HN 0.580 nan 8.180 nan 0.000 0.535 200 Q N -0.097 119.861 119.800 0.264 0.000 2.046 200 Q HA -0.123 4.218 4.340 0.002 0.000 0.200 200 Q C 2.462 178.507 176.000 0.076 0.000 0.975 200 Q CA 1.771 57.659 55.803 0.142 0.000 0.836 200 Q CB -0.753 28.055 28.738 0.116 0.000 0.896 200 Q HN 0.123 nan 8.270 nan 0.000 0.428 201 A N 1.365 124.222 122.820 0.061 0.000 1.892 201 A HA -0.216 4.105 4.320 0.002 0.000 0.218 201 A C 2.040 179.617 177.584 -0.013 0.000 1.188 201 A CA 1.446 53.487 52.037 0.007 0.000 0.631 201 A CB -0.683 18.309 19.000 -0.014 0.000 0.822 201 A HN 0.417 nan 8.150 nan 0.000 0.447 202 I N -0.882 119.703 120.570 0.024 0.000 2.761 202 I HA -0.097 4.074 4.170 0.002 0.000 0.261 202 I C 1.991 178.070 176.117 -0.062 0.000 1.198 202 I CA 0.491 61.775 61.300 -0.027 0.000 1.482 202 I CB 0.175 38.212 38.000 0.063 0.000 1.100 202 I HN 0.148 nan 8.210 nan 0.000 0.445 203 V N -0.092 119.821 119.914 -0.001 0.000 2.379 203 V HA -0.209 3.912 4.120 0.002 0.000 0.245 203 V C 2.240 178.304 176.094 -0.050 0.000 1.044 203 V CA 1.773 64.058 62.300 -0.025 0.000 1.036 203 V CB 0.117 31.939 31.823 -0.002 0.000 0.664 203 V HN 0.433 nan 8.190 nan 0.000 0.453 204 V N 0.423 120.311 119.914 -0.043 0.000 2.535 204 V HA 0.022 4.143 4.120 0.002 0.000 0.246 204 V C 2.318 178.349 176.094 -0.105 0.000 1.045 204 V CA 2.124 64.391 62.300 -0.055 0.000 1.058 204 V CB -0.296 31.504 31.823 -0.038 0.000 0.689 204 V HN 0.498 nan 8.190 nan 0.000 0.461 205 G N 0.030 108.750 108.800 -0.133 0.000 2.480 205 G HA2 -0.214 3.747 3.960 0.002 0.000 0.216 205 G HA3 -0.214 3.747 3.960 0.002 0.000 0.216 205 G C 1.656 176.404 174.900 -0.253 0.000 1.200 205 G CA 1.464 46.448 45.100 -0.193 0.000 0.782 205 G HN 0.438 nan 8.290 nan 0.000 0.554 206 V N 2.074 121.791 119.914 -0.330 0.000 2.324 206 V HA -0.248 3.873 4.120 0.002 0.000 0.250 206 V C 2.842 178.786 176.094 -0.250 0.000 1.060 206 V CA 2.505 64.548 62.300 -0.428 0.000 1.042 206 V CB -0.631 30.857 31.823 -0.558 0.000 0.650 206 V HN 0.643 nan 8.190 nan 0.000 0.450 207 R N 1.390 121.794 120.500 -0.159 0.000 2.235 207 R HA 0.104 4.445 4.340 0.002 0.000 0.213 207 R C 1.977 178.218 176.300 -0.098 0.000 1.059 207 R CA 1.476 57.523 56.100 -0.088 0.000 0.997 207 R CB -0.567 29.710 30.300 -0.038 0.000 0.884 207 R HN 0.364 nan 8.270 nan 0.000 0.462 208 A N 1.307 124.049 122.820 -0.129 0.000 1.929 208 A HA -0.033 4.288 4.320 0.002 0.000 0.216 208 A C 2.315 179.821 177.584 -0.130 0.000 1.176 208 A CA 1.302 53.258 52.037 -0.134 0.000 0.628 208 A CB -0.609 18.300 19.000 -0.152 0.000 0.816 208 A HN 0.311 nan 8.150 nan 0.000 0.444 209 V N -0.587 119.265 119.914 -0.103 0.000 2.548 209 V HA -0.154 3.967 4.120 0.002 0.000 0.249 209 V C 2.256 178.312 176.094 -0.063 0.000 1.055 209 V CA 1.710 64.030 62.300 0.034 0.000 1.065 209 V CB -1.105 30.693 31.823 -0.042 0.000 0.681 209 V HN 0.579 nan 8.190 nan 0.000 0.462 210 I N -0.347 120.148 120.570 -0.125 0.000 2.617 210 I HA 0.080 4.251 4.170 0.002 0.000 0.256 210 I C 1.911 177.993 176.117 -0.057 0.000 1.167 210 I CA 1.394 62.610 61.300 -0.141 0.000 1.469 210 I CB -0.727 37.229 38.000 -0.072 0.000 1.098 210 I HN 0.078 nan 8.210 nan 0.000 0.436 211 V N 0.850 120.702 119.914 -0.103 0.000 3.647 211 V HA 0.146 4.267 4.120 0.002 0.000 0.279 211 V C 0.566 176.493 176.094 -0.278 0.000 1.314 211 V CA -0.331 61.901 62.300 -0.114 0.000 1.125 211 V CB -1.759 30.010 31.823 -0.089 0.000 0.907 211 V HN 0.493 nan 8.190 nan 0.000 0.434 212 K N 2.263 122.374 120.400 -0.482 0.000 5.502 212 K HA -0.212 4.109 4.320 0.002 0.000 0.379 212 K C -0.462 175.562 176.600 -0.960 0.000 0.908 212 K CA 0.808 56.356 56.287 -1.232 0.000 1.130 212 K CB -0.728 31.202 32.500 -0.949 0.000 1.893 212 K HN 0.480 nan 8.250 nan 0.000 0.379 213 D N 0.647 120.622 120.400 -0.709 0.000 2.479 213 D HA 0.362 5.003 4.640 0.002 0.000 0.246 213 D C 0.505 176.815 176.300 0.017 0.000 1.336 213 D CA 0.093 53.948 54.000 -0.241 0.000 0.967 213 D CB 1.416 42.124 40.800 -0.152 0.000 1.275 213 D HN 0.262 nan 8.370 nan 0.000 0.577 214 A N 3.230 126.210 122.820 0.267 0.000 1.968 214 A HA -0.053 4.268 4.320 0.002 0.000 0.217 214 A C 2.041 179.762 177.584 0.229 0.000 1.169 214 A CA 1.324 53.602 52.037 0.401 0.000 0.638 214 A CB -0.217 19.233 19.000 0.749 0.000 0.812 214 A HN 0.444 nan 8.150 nan 0.000 0.446 215 V N 0.223 120.223 119.914 0.143 0.000 2.237 215 V HA -0.227 3.894 4.120 0.002 0.000 0.245 215 V C 2.377 178.495 176.094 0.039 0.000 1.046 215 V CA 2.493 64.851 62.300 0.097 0.000 1.007 215 V CB -0.516 31.344 31.823 0.062 0.000 0.638 215 V HN 0.477 nan 8.190 nan 0.000 0.445 216 K N -0.265 120.132 120.400 -0.006 0.000 2.020 216 K HA -0.193 4.128 4.320 0.002 0.000 0.212 216 K C 2.119 178.672 176.600 -0.080 0.000 1.050 216 K CA 1.888 58.151 56.287 -0.039 0.000 0.929 216 K CB -1.119 31.348 32.500 -0.056 0.000 0.714 216 K HN 0.446 nan 8.250 nan 0.000 0.443 217 L N 1.249 122.378 121.223 -0.157 0.000 2.081 217 L HA -0.155 4.186 4.340 0.002 0.000 0.212 217 L C 2.168 178.905 176.870 -0.222 0.000 1.080 217 L CA 2.036 56.688 54.840 -0.312 0.000 0.754 217 L CB -0.846 40.799 42.059 -0.690 0.000 0.893 217 L HN 0.186 nan 8.230 nan 0.000 0.433 218 A N -1.144 121.644 122.820 -0.054 0.000 2.014 218 A HA 0.077 4.398 4.320 0.002 0.000 0.218 218 A C 2.381 180.005 177.584 0.067 0.000 1.163 218 A CA 1.274 53.403 52.037 0.153 0.000 0.652 218 A CB -0.824 18.343 19.000 0.277 0.000 0.808 218 A HN 0.533 nan 8.150 nan 0.000 0.449 219 A N -0.217 122.614 122.820 0.019 0.000 1.968 219 A HA 0.294 4.615 4.320 0.002 0.000 0.217 219 A C 2.395 179.969 177.584 -0.016 0.000 1.169 219 A CA 1.583 53.623 52.037 0.005 0.000 0.638 219 A CB -0.703 18.295 19.000 -0.003 0.000 0.812 219 A HN 0.869 nan 8.150 nan 0.000 0.446 220 A N -0.059 122.738 122.820 -0.039 0.000 1.897 220 A HA -0.112 4.209 4.320 0.002 0.000 0.215 220 A C 2.248 179.804 177.584 -0.047 0.000 1.181 220 A CA 1.494 53.499 52.037 -0.054 0.000 0.620 220 A CB -0.502 18.445 19.000 -0.089 0.000 0.821 220 A HN 0.518 nan 8.150 nan 0.000 0.443 221 R N 0.280 120.768 120.500 -0.021 0.000 2.091 221 R HA -0.154 4.187 4.340 0.002 0.000 0.238 221 R C 1.633 177.926 176.300 -0.012 0.000 1.136 221 R CA 1.960 58.063 56.100 0.007 0.000 0.959 221 R CB -0.494 29.855 30.300 0.081 0.000 0.856 221 R HN 0.730 nan 8.270 nan 0.000 0.437 222 N N -0.824 117.876 118.700 0.001 0.000 2.396 222 N HA -0.066 4.675 4.740 0.002 0.000 0.180 222 N C 1.724 177.202 175.510 -0.052 0.000 1.028 222 N CA 0.538 53.584 53.050 -0.007 0.000 0.893 222 N CB -0.096 38.400 38.487 0.016 0.000 0.967 222 N HN 0.333 nan 8.380 nan 0.000 0.440 223 G N 1.715 110.476 108.800 -0.065 0.000 2.432 223 G HA2 -0.194 3.767 3.960 0.002 0.000 0.219 223 G HA3 -0.194 3.767 3.960 0.002 0.000 0.219 223 G C 1.413 176.219 174.900 -0.156 0.000 1.135 223 G CA 0.333 45.386 45.100 -0.078 0.000 0.767 223 G HN 0.180 nan 8.290 nan 0.000 0.550 224 L N 1.021 122.083 121.223 -0.268 0.000 2.261 224 L HA -0.080 4.261 4.340 0.002 0.000 0.216 224 L C 2.661 179.074 176.870 -0.763 0.000 1.114 224 L CA 0.986 55.464 54.840 -0.604 0.000 0.777 224 L CB -0.226 41.319 42.059 -0.855 0.000 0.910 224 L HN 0.169 nan 8.230 nan 0.000 0.440 225 S N -0.287 115.209 115.700 -0.339 0.000 2.558 225 S HA 0.037 4.508 4.470 0.002 0.000 0.217 225 S C 1.976 176.561 174.600 -0.025 0.000 0.975 225 S CA 0.609 58.761 58.200 -0.080 0.000 0.912 225 S CB 0.223 63.450 63.200 0.045 0.000 0.776 225 S HN 0.577 nan 8.310 nan 0.000 0.526 226 G N 1.908 110.671 108.800 -0.062 0.000 2.408 226 G HA2 0.076 4.037 3.960 0.002 0.000 0.217 226 G HA3 0.076 4.037 3.960 0.002 0.000 0.217 226 G C 0.750 175.657 174.900 0.011 0.000 1.150 226 G CA 0.928 46.018 45.100 -0.017 0.000 0.776 226 G HN 0.383 nan 8.290 nan 0.000 0.542 227 I N -1.104 119.592 120.570 0.210 0.000 2.027 227 I HA -0.292 3.879 4.170 0.002 0.000 0.298 227 I C 1.687 178.170 176.117 0.610 0.000 3.087 227 I CA 1.141 62.654 61.300 0.356 0.000 1.020 227 I CB -1.954 36.090 38.000 0.072 0.000 2.492 227 I HN 0.152 nan 8.210 nan 0.000 0.671 228 F N 3.559 123.657 119.950 0.246 0.000 2.063 228 F HA -0.066 4.462 4.527 0.001 0.000 0.298 228 F C -0.857 174.922 175.800 -0.035 0.000 1.109 228 F CA 1.926 59.952 58.000 0.043 0.000 1.212 228 F CB -2.511 36.438 39.000 -0.085 0.000 0.973 228 F HN 0.300 nan 8.300 nan 0.000 0.480 229 P HA 0.002 nan 4.420 nan 0.000 0.276 229 P C -0.821 176.531 177.300 0.087 0.000 1.230 229 P CA -0.009 63.127 63.100 0.060 0.000 0.776 229 P CB 0.173 31.923 31.700 0.084 0.000 0.888 230 Y N 1.293 121.677 120.300 0.140 0.000 2.578 230 Y HA 0.224 4.775 4.550 0.002 0.000 0.339 230 Y C 1.360 177.222 175.900 -0.064 0.000 1.231 230 Y CA -0.419 57.730 58.100 0.082 0.000 1.461 230 Y CB 0.518 39.023 38.460 0.074 0.000 1.323 230 Y HN 0.430 nan 8.280 nan 0.000 0.590 231 A N 1.076 123.842 122.820 -0.090 0.000 2.337 231 A HA 0.455 4.776 4.320 0.002 0.000 0.329 231 A C 0.497 177.735 177.584 -0.577 0.000 1.146 231 A CA -0.355 51.484 52.037 -0.330 0.000 0.800 231 A CB 0.579 19.325 19.000 -0.424 0.000 1.220 231 A HN 0.817 nan 8.150 nan 0.000 0.472 232 T N -1.251 113.161 114.554 -0.236 0.000 3.092 232 T HA 0.541 4.892 4.350 0.002 0.000 0.258 232 T C 0.558 175.323 174.700 0.108 0.000 1.031 232 T CA 0.346 62.420 62.100 -0.043 0.000 0.925 232 T CB -0.114 68.770 68.868 0.028 0.000 1.036 232 T HN 1.779 nan 8.240 nan 0.000 0.544 233 G N -1.153 107.674 108.800 0.045 0.000 2.519 233 G HA2 0.587 4.548 3.960 0.002 0.000 0.292 233 G HA3 0.587 4.548 3.960 0.002 0.000 0.292 233 G C -0.005 174.950 174.900 0.092 0.000 1.507 233 G CA 0.058 45.249 45.100 0.151 0.000 0.806 233 G HN 0.962 nan 8.290 nan 0.000 0.523 234 G N 0.248 109.113 108.800 0.108 0.000 2.645 234 G HA2 0.014 3.975 3.960 0.002 0.000 0.246 234 G HA3 0.014 3.975 3.960 0.002 0.000 0.246 234 G C -0.377 174.536 174.900 0.021 0.000 1.322 234 G CA 0.170 45.295 45.100 0.041 0.000 0.898 234 G HN 0.971 nan 8.290 nan 0.000 0.573 235 D N 1.374 121.735 120.400 -0.065 0.000 2.344 235 D HA 0.576 5.217 4.640 0.002 0.000 0.244 235 D C 0.977 177.142 176.300 -0.226 0.000 1.134 235 D CA 1.716 55.602 54.000 -0.189 0.000 0.930 235 D CB 0.897 41.580 40.800 -0.195 0.000 1.175 235 D HN 1.897 nan 8.370 nan 0.000 0.437 236 G N -0.544 107.991 108.800 -0.442 0.000 2.343 236 G HA2 -0.002 3.959 3.960 0.002 0.000 0.562 236 G HA3 -0.002 3.959 3.960 0.002 0.000 0.562 236 G C -1.414 173.335 174.900 -0.250 0.000 1.269 236 G CA -1.070 43.869 45.100 -0.268 0.000 1.011 236 G HN 0.240 nan 8.290 nan 0.000 0.498 237 F N 0.226 120.248 119.950 0.120 0.000 2.399 237 F HA 0.741 5.269 4.527 0.002 0.000 0.334 237 F C 0.357 176.335 175.800 0.298 0.000 1.097 237 F CA -0.189 57.974 58.000 0.271 0.000 1.076 237 F CB 1.320 40.407 39.000 0.145 0.000 1.162 237 F HN 0.429 nan 8.300 nan 0.000 0.495 238 Y N 0.408 120.945 120.300 0.396 0.000 2.534 238 Y HA 0.493 5.044 4.550 0.002 0.000 0.329 238 Y C 1.045 176.898 175.900 -0.079 0.000 1.154 238 Y CA -0.928 57.278 58.100 0.176 0.000 1.192 238 Y CB 1.258 39.763 38.460 0.076 0.000 1.275 238 Y HN 0.636 nan 8.280 nan 0.000 0.491 239 A N 0.346 122.986 122.820 -0.300 0.000 2.019 239 A HA -0.180 4.141 4.320 0.002 0.000 0.219 239 A C 1.514 178.988 177.584 -0.184 0.000 1.164 239 A CA 1.888 53.552 52.037 -0.622 0.000 0.644 239 A CB -0.727 17.991 19.000 -0.469 0.000 0.805 239 A HN 0.827 nan 8.150 nan 0.000 0.449 240 D N -2.127 118.265 120.400 -0.013 0.000 2.349 240 D HA 0.247 4.888 4.640 0.002 0.000 0.224 240 D C 1.144 177.480 176.300 0.060 0.000 1.029 240 D CA 0.977 54.969 54.000 -0.013 0.000 0.879 240 D CB -0.522 40.259 40.800 -0.031 0.000 0.906 240 D HN 0.780 nan 8.370 nan 0.000 0.528 241 G N -0.623 108.306 108.800 0.214 0.000 2.176 241 G HA2 -0.244 3.717 3.960 0.002 0.000 0.232 241 G HA3 -0.244 3.717 3.960 0.002 0.000 0.232 241 G C 0.318 175.519 174.900 0.503 0.000 0.986 241 G CA 0.176 45.503 45.100 0.378 0.000 0.643 241 G HN 0.429 nan 8.290 nan 0.000 0.522 242 S N -0.492 115.462 115.700 0.423 0.000 2.614 242 S HA 0.726 5.197 4.470 0.002 0.000 0.265 242 S C -0.550 174.194 174.600 0.240 0.000 1.303 242 S CA 0.043 58.381 58.200 0.231 0.000 1.000 242 S CB 1.447 64.649 63.200 0.002 0.000 0.935 242 S HN 0.930 nan 8.310 nan 0.000 0.551 243 F N 1.332 121.202 119.950 -0.133 0.000 2.573 243 F HA 0.591 5.120 4.527 0.002 0.000 0.316 243 F C -1.223 174.478 175.800 -0.165 0.000 1.148 243 F CA -0.614 57.210 58.000 -0.295 0.000 0.940 243 F CB 0.952 39.566 39.000 -0.644 0.000 1.214 243 F HN 0.294 nan 8.300 nan 0.000 0.448 244 V N 5.187 124.578 119.914 -0.870 0.000 2.628 244 V HA 0.644 4.765 4.120 0.002 0.000 0.306 244 V C -0.973 174.662 176.094 -0.765 0.000 1.045 244 V CA -0.584 61.391 62.300 -0.540 0.000 0.905 244 V CB 1.890 33.597 31.823 -0.193 0.000 0.997 244 V HN 0.754 nan 8.190 nan 0.000 0.436 245 Q N 0.990 120.613 119.800 -0.294 0.000 2.379 245 Q HA 0.505 4.846 4.340 0.002 0.000 0.278 245 Q C -0.321 175.684 176.000 0.008 0.000 1.068 245 Q CA -0.445 55.173 55.803 -0.308 0.000 0.816 245 Q CB 1.244 29.695 28.738 -0.479 0.000 1.387 245 Q HN 0.834 nan 8.270 nan 0.000 0.413 246 H N 2.029 121.034 119.070 -0.108 0.000 2.826 246 H HA -0.260 4.297 4.556 0.002 0.000 0.306 246 H C 0.199 175.618 175.328 0.152 0.000 1.235 246 H CA 0.459 56.537 56.048 0.050 0.000 1.150 246 H CB -1.514 28.328 29.762 0.134 0.000 1.409 246 H HN 1.021 nan 8.280 nan 0.000 0.420 247 T N -5.289 109.346 114.554 0.136 0.000 11.150 247 T HA -0.394 3.957 4.350 0.002 0.000 0.417 247 T C 1.269 175.964 174.700 -0.008 0.000 1.460 247 T CA 2.538 64.668 62.100 0.051 0.000 2.433 247 T CB -1.629 67.262 68.868 0.038 0.000 2.893 247 T HN 0.931 nan 8.240 nan 0.000 1.015 248 T N -1.355 113.161 114.554 -0.064 0.000 3.231 248 T HA 0.629 4.980 4.350 0.002 0.000 0.292 248 T C -0.307 174.058 174.700 -0.557 0.000 1.001 248 T CA -0.820 61.085 62.100 -0.326 0.000 0.920 248 T CB -0.099 68.502 68.868 -0.444 0.000 1.140 248 T HN 0.484 nan 8.240 nan 0.000 0.525 249 F N 1.929 121.908 119.950 0.048 0.000 2.507 249 F HA 0.749 5.277 4.527 0.002 0.000 0.325 249 F C 0.549 176.341 175.800 -0.014 0.000 1.116 249 F CA -1.512 56.508 58.000 0.034 0.000 0.930 249 F CB 1.498 40.585 39.000 0.145 0.000 1.146 249 F HN 0.174 nan 8.300 nan 0.000 0.447 250 A N 2.777 125.615 122.820 0.030 0.000 2.491 250 A HA 0.253 4.574 4.320 0.002 0.000 0.261 250 A C -0.934 176.598 177.584 -0.087 0.000 1.101 250 A CA 0.327 52.331 52.037 -0.055 0.000 0.772 250 A CB -0.378 18.555 19.000 -0.111 0.000 1.043 250 A HN 0.817 nan 8.150 nan 0.000 0.501 251 Y N 1.754 122.093 120.300 0.065 0.000 2.742 251 Y HA 0.115 4.666 4.550 0.002 0.000 0.248 251 Y C 1.826 177.844 175.900 0.197 0.000 1.132 251 Y CA 0.173 58.365 58.100 0.154 0.000 1.142 251 Y CB 0.209 38.820 38.460 0.252 0.000 1.222 251 Y HN 0.741 nan 8.280 nan 0.000 0.575 252 T N -1.620 113.031 114.554 0.163 0.000 2.737 252 T HA -0.192 4.159 4.350 0.002 0.000 0.269 252 T C 2.106 176.740 174.700 -0.110 0.000 1.040 252 T CA 1.834 63.851 62.100 -0.139 0.000 1.142 252 T CB -0.225 68.443 68.868 -0.334 0.000 0.861 252 T HN 0.591 nan 8.240 nan 0.000 0.456 253 G N -0.105 108.667 108.800 -0.046 0.000 2.777 253 G HA2 0.376 4.337 3.960 0.002 0.000 0.211 253 G HA3 0.376 4.337 3.960 0.002 0.000 0.211 253 G C 1.086 175.994 174.900 0.013 0.000 1.149 253 G CA 0.533 45.623 45.100 -0.016 0.000 0.785 253 G HN 0.579 nan 8.290 nan 0.000 0.536 254 G N 0.048 108.917 108.800 0.116 0.000 2.606 254 G HA2 0.189 4.150 3.960 0.002 0.000 0.213 254 G HA3 0.189 4.150 3.960 0.002 0.000 0.213 254 G C 1.123 175.983 174.900 -0.066 0.000 2.020 254 G CA 0.030 45.186 45.100 0.094 0.000 0.814 254 G HN 0.124 nan 8.290 nan 0.000 0.685 255 Y N 1.733 121.995 120.300 -0.063 0.000 2.207 255 Y HA -0.043 4.508 4.550 0.002 0.000 0.287 255 Y C 3.034 178.779 175.900 -0.258 0.000 1.156 255 Y CA 1.253 59.242 58.100 -0.185 0.000 1.182 255 Y CB -0.652 37.635 38.460 -0.289 0.000 0.979 255 Y HN 0.278 nan 8.280 nan 0.000 0.521 256 G N -1.242 107.387 108.800 -0.286 0.000 2.476 256 G HA2 -0.357 3.604 3.960 0.002 0.000 0.218 256 G HA3 -0.357 3.604 3.960 0.002 0.000 0.218 256 G C 2.019 176.716 174.900 -0.338 0.000 1.164 256 G CA 1.372 45.800 45.100 -1.121 0.000 0.768 256 G HN 0.434 nan 8.290 nan 0.000 0.560 257 S N 0.419 116.063 115.700 -0.093 0.000 2.374 257 S HA -0.161 4.310 4.470 0.002 0.000 0.227 257 S C 2.646 177.217 174.600 -0.049 0.000 1.037 257 S CA 2.171 60.367 58.200 -0.008 0.000 1.024 257 S CB -0.420 62.784 63.200 0.007 0.000 0.861 257 S HN 0.360 nan 8.310 nan 0.000 0.456 258 S N 0.727 116.379 115.700 -0.079 0.000 2.345 258 S HA -0.043 4.428 4.470 0.002 0.000 0.220 258 S C 1.951 176.440 174.600 -0.185 0.000 1.031 258 S CA 1.303 59.453 58.200 -0.084 0.000 0.996 258 S CB -0.734 62.386 63.200 -0.133 0.000 0.882 258 S HN 0.423 nan 8.310 nan 0.000 0.445 259 V N 2.493 122.254 119.914 -0.255 0.000 2.324 259 V HA -0.205 3.916 4.120 0.002 0.000 0.250 259 V C 2.224 178.331 176.094 0.022 0.000 1.060 259 V CA 1.676 63.877 62.300 -0.165 0.000 1.042 259 V CB -0.690 31.034 31.823 -0.165 0.000 0.650 259 V HN 0.421 nan 8.190 nan 0.000 0.450 260 L N -0.224 121.017 121.223 0.030 0.000 1.994 260 L HA -0.238 4.103 4.340 0.002 0.000 0.208 260 L C 2.644 179.560 176.870 0.077 0.000 1.071 260 L CA 2.428 57.328 54.840 0.099 0.000 0.745 260 L CB -0.336 41.660 42.059 -0.105 0.000 0.892 260 L HN 0.502 nan 8.230 nan 0.000 0.431 261 E N -0.514 119.706 120.200 0.033 0.000 2.012 261 E HA -0.299 4.052 4.350 0.002 0.000 0.197 261 E C 1.966 178.647 176.600 0.134 0.000 1.007 261 E CA 2.606 59.050 56.400 0.072 0.000 0.816 261 E CB -0.168 29.580 29.700 0.081 0.000 0.762 261 E HN 0.663 nan 8.360 nan 0.000 0.451 262 T N -1.752 112.877 114.554 0.125 0.000 2.720 262 T HA -0.162 4.189 4.350 0.002 0.000 0.268 262 T C 2.041 176.844 174.700 0.172 0.000 1.037 262 T CA 1.972 64.171 62.100 0.165 0.000 1.144 262 T CB -0.974 67.944 68.868 0.083 0.000 0.864 262 T HN 0.103 nan 8.240 nan 0.000 0.444 263 T N 2.028 116.676 114.554 0.157 0.000 2.746 263 T HA 0.118 4.469 4.350 0.002 0.000 0.267 263 T C 2.490 177.344 174.700 0.256 0.000 1.039 263 T CA 1.324 63.542 62.100 0.196 0.000 1.142 263 T CB -0.879 68.158 68.868 0.282 0.000 0.866 263 T HN 0.626 nan 8.240 nan 0.000 0.444 264 A N 2.443 125.422 122.820 0.266 0.000 1.877 264 A HA -0.172 4.149 4.320 0.002 0.000 0.216 264 A C 2.278 180.089 177.584 0.380 0.000 1.186 264 A CA 1.588 53.827 52.037 0.336 0.000 0.620 264 A CB -0.681 18.451 19.000 0.220 0.000 0.822 264 A HN 0.383 nan 8.150 nan 0.000 0.443 265 N N -0.260 118.631 118.700 0.317 0.000 2.084 265 N HA -0.141 4.600 4.740 0.002 0.000 0.190 265 N C 1.607 177.406 175.510 0.481 0.000 1.030 265 N CA 1.553 54.847 53.050 0.407 0.000 0.849 265 N CB -0.573 38.177 38.487 0.440 0.000 1.012 265 N HN 0.396 nan 8.380 nan 0.000 0.423 266 L N 1.043 122.459 121.223 0.323 0.000 2.027 266 L HA 0.056 4.397 4.340 0.002 0.000 0.206 266 L C 2.154 179.088 176.870 0.107 0.000 1.074 266 L CA 1.387 56.335 54.840 0.180 0.000 0.745 266 L CB -0.583 41.529 42.059 0.089 0.000 0.898 266 L HN 0.119 nan 8.230 nan 0.000 0.433 267 M N -2.153 117.520 119.600 0.121 0.000 2.213 267 M HA -0.239 4.242 4.480 0.002 0.000 0.263 267 M C 2.211 178.243 176.300 -0.446 0.000 1.062 267 M CA 1.817 57.094 55.300 -0.038 0.000 1.105 267 M CB -0.462 32.253 32.600 0.191 0.000 1.385 267 M HN 0.406 nan 8.290 nan 0.000 0.417 268 Y N 0.729 120.832 120.300 -0.329 0.000 2.200 268 Y HA -0.230 4.321 4.550 0.002 0.000 0.290 268 Y C 2.041 177.857 175.900 -0.141 0.000 1.137 268 Y CA 1.283 59.166 58.100 -0.361 0.000 1.163 268 Y CB -0.045 38.507 38.460 0.154 0.000 0.988 268 Y HN 0.093 nan 8.280 nan 0.000 0.518 269 L N 0.536 121.695 121.223 -0.106 0.000 1.976 269 L HA -0.200 4.141 4.340 0.002 0.000 0.209 269 L C 2.110 178.869 176.870 -0.186 0.000 1.071 269 L CA 1.921 56.698 54.840 -0.104 0.000 0.746 269 L CB -0.922 41.219 42.059 0.137 0.000 0.890 269 L HN 0.342 nan 8.230 nan 0.000 0.432 270 L N -0.724 120.424 121.223 -0.126 0.000 2.265 270 L HA -0.118 4.223 4.340 0.002 0.000 0.215 270 L C 1.415 178.208 176.870 -0.128 0.000 1.117 270 L CA 0.519 55.315 54.840 -0.074 0.000 0.782 270 L CB -0.894 41.153 42.059 -0.020 0.000 0.914 270 L HN 0.265 nan 8.230 nan 0.000 0.441 271 S N 0.245 115.774 115.700 -0.285 0.000 2.546 271 S HA 0.269 4.740 4.470 0.002 0.000 0.290 271 S C 1.213 175.710 174.600 -0.172 0.000 1.262 271 S CA 0.619 58.647 58.200 -0.287 0.000 1.083 271 S CB 0.285 63.153 63.200 -0.554 0.000 0.859 271 S HN 0.638 nan 8.310 nan 0.000 0.495 272 G N 3.146 111.896 108.800 -0.084 0.000 2.176 272 G HA2 -0.248 3.713 3.960 0.002 0.000 0.253 272 G HA3 -0.248 3.713 3.960 0.002 0.000 0.253 272 G C 0.171 175.036 174.900 -0.058 0.000 0.979 272 G CA 0.405 45.472 45.100 -0.056 0.000 0.641 272 G HN 1.581 nan 8.290 nan 0.000 0.530 273 S N -1.106 114.562 115.700 -0.053 0.000 2.739 273 S HA 0.683 5.154 4.470 0.002 0.000 0.306 273 S C 1.422 175.953 174.600 -0.115 0.000 1.115 273 S CA 0.821 58.993 58.200 -0.047 0.000 0.985 273 S CB 1.429 64.664 63.200 0.058 0.000 1.133 273 S HN 1.236 nan 8.310 nan 0.000 0.541 274 T N -2.316 112.065 114.554 -0.288 0.000 3.155 274 T HA 0.036 4.387 4.350 0.002 0.000 0.264 274 T C 0.321 174.671 174.700 -0.583 0.000 1.160 274 T CA 0.326 62.120 62.100 -0.510 0.000 1.075 274 T CB -0.528 67.867 68.868 -0.788 0.000 0.921 274 T HN 0.702 nan 8.240 nan 0.000 0.533 275 W N 1.693 122.927 121.300 -0.110 0.000 2.991 275 W HA 0.493 5.154 4.660 0.002 0.000 0.391 275 W C 0.893 177.367 176.519 -0.075 0.000 1.054 275 W CA -1.258 56.033 57.345 -0.090 0.000 1.856 275 W CB -0.126 29.267 29.460 -0.112 0.000 1.132 275 W HN 0.250 nan 8.180 nan 0.000 0.601 276 S N 1.025 116.762 115.700 0.061 0.000 2.559 276 S HA 0.084 4.555 4.470 0.002 0.000 0.282 276 S C 0.362 174.991 174.600 0.049 0.000 1.336 276 S CA 0.099 58.313 58.200 0.024 0.000 1.037 276 S CB 0.882 64.075 63.200 -0.012 0.000 0.853 276 S HN -0.087 nan 8.310 nan 0.000 0.523 277 V N 4.804 124.752 119.914 0.057 0.000 2.508 277 V HA 0.176 4.297 4.120 0.002 0.000 0.281 277 V C 1.313 177.453 176.094 0.076 0.000 1.041 277 V CA 0.683 63.045 62.300 0.103 0.000 1.016 277 V CB 0.925 32.856 31.823 0.181 0.000 0.984 277 V HN 1.062 nan 8.190 nan 0.000 0.478 278 S N 2.146 117.889 115.700 0.071 0.000 2.502 278 S HA 0.027 4.498 4.470 0.002 0.000 0.228 278 S C 0.774 175.388 174.600 0.022 0.000 1.061 278 S CA -0.100 58.122 58.200 0.037 0.000 0.935 278 S CB -0.134 63.082 63.200 0.026 0.000 0.809 278 S HN 0.728 nan 8.310 nan 0.000 0.510 279 D N 4.258 124.693 120.400 0.059 0.000 2.923 279 D HA 0.004 4.645 4.640 0.002 0.000 0.220 279 D C -1.752 174.493 176.300 -0.092 0.000 1.099 279 D CA -0.714 53.308 54.000 0.037 0.000 0.807 279 D CB 0.930 41.841 40.800 0.185 0.000 1.155 279 D HN 0.113 nan 8.370 nan 0.000 0.524 280 P HA -0.073 nan 4.420 nan 0.000 0.222 280 P C 0.909 178.060 177.300 -0.248 0.000 1.147 280 P CA 0.507 63.529 63.100 -0.130 0.000 0.790 280 P CB 0.259 31.918 31.700 -0.067 0.000 0.780 281 N N 0.099 118.631 118.700 -0.280 0.000 2.453 281 N HA -0.131 4.610 4.740 0.002 0.000 0.183 281 N C 1.676 176.662 175.510 -0.873 0.000 1.041 281 N CA 0.707 53.511 53.050 -0.410 0.000 0.900 281 N CB -0.361 38.001 38.487 -0.208 0.000 0.961 281 N HN 0.445 nan 8.380 nan 0.000 0.443 282 Q N -0.196 118.897 119.800 -1.178 0.000 2.376 282 Q HA -0.041 4.300 4.340 0.002 0.000 0.211 282 Q C 1.326 176.458 176.000 -1.447 0.000 0.986 282 Q CA 1.286 56.060 55.803 -1.715 0.000 0.886 282 Q CB -0.229 27.840 28.738 -1.116 0.000 0.927 282 Q HN 0.049 nan 8.270 nan 0.000 0.457 283 S N 1.328 116.421 115.700 -1.011 0.000 2.402 283 S HA -0.104 4.367 4.470 0.002 0.000 0.229 283 S C 1.336 175.344 174.600 -0.986 0.000 1.021 283 S CA 1.207 58.825 58.200 -0.970 0.000 0.974 283 S CB -0.332 62.657 63.200 -0.352 0.000 0.800 283 S HN 0.579 nan 8.310 nan 0.000 0.484 284 N N 1.017 119.191 118.700 -0.875 0.000 2.205 284 N HA -0.090 4.651 4.740 0.002 0.000 0.186 284 N C 1.485 176.244 175.510 -1.252 0.000 1.015 284 N CA 0.969 53.551 53.050 -0.780 0.000 0.862 284 N CB -0.270 37.730 38.487 -0.812 0.000 0.986 284 N HN 0.156 nan 8.380 nan 0.000 0.429 285 V N 0.450 119.319 119.914 -1.742 0.000 2.392 285 V HA -0.243 3.878 4.120 0.002 0.000 0.249 285 V C 1.631 177.185 176.094 -0.900 0.000 1.059 285 V CA 1.600 62.707 62.300 -1.988 0.000 1.051 285 V CB -0.692 30.169 31.823 -1.602 0.000 0.658 285 V HN 0.482 nan 8.190 nan 0.000 0.455 286 W N -0.600 120.351 121.300 -0.583 0.000 2.358 286 W HA -0.165 4.496 4.660 0.002 0.000 0.303 286 W C 2.656 178.974 176.519 -0.335 0.000 1.208 286 W CA 0.245 57.350 57.345 -0.400 0.000 1.274 286 W CB -0.404 28.673 29.460 -0.639 0.000 1.138 286 W HN 0.176 nan 8.180 nan 0.000 0.515 287 Q N -0.320 119.514 119.800 0.056 0.000 2.224 287 Q HA -0.168 4.173 4.340 0.002 0.000 0.203 287 Q C 1.783 177.957 176.000 0.290 0.000 0.970 287 Q CA 1.178 57.136 55.803 0.258 0.000 0.865 287 Q CB -0.958 27.964 28.738 0.306 0.000 0.922 287 Q HN 0.459 nan 8.270 nan 0.000 0.445 288 W N 1.256 122.528 121.300 -0.047 0.000 2.318 288 W HA -0.167 4.494 4.660 0.002 0.000 0.313 288 W C 2.089 178.684 176.519 0.126 0.000 1.221 288 W CA 0.267 57.565 57.345 -0.077 0.000 1.266 288 W CB -0.981 28.283 29.460 -0.328 0.000 1.150 288 W HN 0.100 nan 8.180 nan 0.000 0.496 289 I N -0.797 119.891 120.570 0.198 0.000 2.127 289 I HA -0.323 3.848 4.170 0.002 0.000 0.241 289 I C 2.194 178.380 176.117 0.115 0.000 1.075 289 I CA 1.542 62.854 61.300 0.020 0.000 1.334 289 I CB -1.967 35.779 38.000 -0.423 0.000 1.040 289 I HN 0.086 nan 8.210 nan 0.000 0.405 290 Y N 0.907 121.370 120.300 0.272 0.000 2.181 290 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 290 Y C 2.661 178.677 175.900 0.193 0.000 1.146 290 Y CA 0.776 59.007 58.100 0.219 0.000 1.164 290 Y CB -0.111 38.474 38.460 0.208 0.000 0.982 290 Y HN 0.211 nan 8.280 nan 0.000 0.515 291 E N -0.581 119.837 120.200 0.363 0.000 2.206 291 E HA 0.092 4.443 4.350 0.002 0.000 0.195 291 E C 2.224 179.009 176.600 0.308 0.000 0.935 291 E CA 0.807 57.374 56.400 0.278 0.000 0.875 291 E CB -0.345 29.503 29.700 0.247 0.000 0.841 291 E HN 0.342 nan 8.360 nan 0.000 0.477 292 A N 0.035 123.031 122.820 0.294 0.000 1.935 292 A HA -0.032 4.289 4.320 0.002 0.000 0.214 292 A C 1.657 179.166 177.584 -0.124 0.000 1.178 292 A CA 0.902 53.022 52.037 0.138 0.000 0.640 292 A CB -0.343 18.701 19.000 0.073 0.000 0.825 292 A HN 0.177 nan 8.150 nan 0.000 0.447 293 Y N -1.341 119.047 120.300 0.147 0.000 2.382 293 Y HA 0.150 4.701 4.550 0.002 0.000 0.292 293 Y C 2.350 178.287 175.900 0.060 0.000 1.151 293 Y CA 0.641 58.781 58.100 0.066 0.000 1.198 293 Y CB -0.330 38.146 38.460 0.027 0.000 1.195 293 Y HN 0.192 nan 8.280 nan 0.000 0.530 294 R N 0.936 121.586 120.500 0.250 0.000 2.133 294 R HA -0.207 4.134 4.340 0.002 0.000 0.245 294 R C -1.010 175.369 176.300 0.132 0.000 1.137 294 R CA 2.535 58.740 56.100 0.175 0.000 0.947 294 R CB -1.501 28.924 30.300 0.207 0.000 0.865 294 R HN 0.214 nan 8.270 nan 0.000 0.437 295 P HA -0.077 nan 4.420 nan 0.000 0.225 295 P C 0.640 177.989 177.300 0.082 0.000 1.148 295 P CA 1.119 64.294 63.100 0.126 0.000 0.779 295 P CB 0.066 31.874 31.700 0.179 0.000 0.780 296 L N -1.862 119.388 121.223 0.045 0.000 2.628 296 L HA 0.180 4.521 4.340 0.002 0.000 0.229 296 L C 0.424 177.243 176.870 -0.086 0.000 1.137 296 L CA -0.089 54.715 54.840 -0.059 0.000 0.909 296 L CB -0.093 41.883 42.059 -0.139 0.000 1.137 296 L HN -0.067 nan 8.230 nan 0.000 0.470 297 L N -0.503 120.706 121.223 -0.024 0.000 2.296 297 L HA 0.339 4.680 4.340 0.002 0.000 0.286 297 L C -1.097 175.762 176.870 -0.018 0.000 1.023 297 L CA -0.535 54.280 54.840 -0.042 0.000 0.812 297 L CB 1.430 43.489 42.059 0.000 0.000 1.223 297 L HN -0.071 nan 8.230 nan 0.000 0.421 298 Y N 3.854 124.032 120.300 -0.204 0.000 2.332 298 Y HA 0.230 4.781 4.550 0.002 0.000 0.326 298 Y C 0.136 176.018 175.900 -0.030 0.000 0.978 298 Y CA -0.932 57.087 58.100 -0.135 0.000 1.205 298 Y CB 0.876 39.195 38.460 -0.236 0.000 1.131 298 Y HN 0.522 nan 8.280 nan 0.000 0.462 299 K N 4.782 124.924 120.400 -0.430 0.000 3.213 299 K HA -0.291 4.030 4.320 0.002 0.000 0.266 299 K C 0.932 177.595 176.600 0.105 0.000 0.911 299 K CA 1.136 57.303 56.287 -0.200 0.000 0.684 299 K CB -1.596 30.737 32.500 -0.278 0.000 1.402 299 K HN 1.240 nan 8.250 nan 0.000 0.465 300 G N -1.497 107.340 108.800 0.062 0.000 2.279 300 G HA2 -0.257 3.704 3.960 0.002 0.000 0.223 300 G HA3 -0.257 3.704 3.960 0.002 0.000 0.223 300 G C 0.164 174.972 174.900 -0.153 0.000 1.015 300 G CA 0.074 45.276 45.100 0.170 0.000 0.621 300 G HN 0.869 nan 8.290 nan 0.000 0.506 301 A N 0.239 122.778 122.820 -0.468 0.000 2.310 301 A HA 0.829 5.150 4.320 0.002 0.000 0.299 301 A C 0.003 177.421 177.584 -0.276 0.000 1.147 301 A CA 0.293 51.975 52.037 -0.593 0.000 0.818 301 A CB 0.953 19.556 19.000 -0.661 0.000 1.096 301 A HN 1.120 nan 8.150 nan 0.000 0.495 302 M N 3.683 123.156 119.600 -0.210 0.000 2.061 302 M HA 0.418 4.899 4.480 0.002 0.000 0.346 302 M C -0.326 175.864 176.300 -0.185 0.000 1.112 302 M CA -0.424 54.787 55.300 -0.148 0.000 1.021 302 M CB 0.009 32.564 32.600 -0.076 0.000 1.530 302 M HN 0.711 nan 8.290 nan 0.000 0.437 303 M N 4.400 123.843 119.600 -0.261 0.000 2.323 303 M HA -0.121 4.360 4.480 0.002 0.000 0.386 303 M C 0.483 176.625 176.300 -0.262 0.000 1.525 303 M CA 0.301 55.430 55.300 -0.286 0.000 0.914 303 M CB 0.042 32.443 32.600 -0.332 0.000 2.042 303 M HN 0.615 nan 8.290 nan 0.000 0.483 304 D N 3.251 123.486 120.400 -0.275 0.000 2.182 304 D HA -0.192 4.449 4.640 0.002 0.000 0.201 304 D C 1.857 177.912 176.300 -0.407 0.000 0.986 304 D CA 1.603 55.429 54.000 -0.291 0.000 0.847 304 D CB -0.202 40.514 40.800 -0.141 0.000 0.942 304 D HN 0.757 nan 8.370 nan 0.000 0.467 305 M N -1.103 118.161 119.600 -0.561 0.000 2.629 305 M HA -0.034 4.447 4.480 0.002 0.000 0.257 305 M C 1.235 177.367 176.300 -0.279 0.000 1.071 305 M CA 1.108 56.159 55.300 -0.416 0.000 1.077 305 M CB 0.205 32.587 32.600 -0.364 0.000 1.423 305 M HN -0.185 nan 8.290 nan 0.000 0.508 306 V N 0.691 120.431 119.914 -0.289 0.000 3.159 306 V HA 0.249 4.370 4.120 0.002 0.000 0.333 306 V C 1.126 177.070 176.094 -0.249 0.000 1.424 306 V CA -0.031 62.112 62.300 -0.260 0.000 1.125 306 V CB -0.195 31.470 31.823 -0.263 0.000 1.075 306 V HN 0.520 nan 8.190 nan 0.000 0.482 307 R N -0.030 120.296 120.500 -0.292 0.000 2.397 307 R HA 0.429 4.770 4.340 0.002 0.000 0.241 307 R C 1.452 177.523 176.300 -0.382 0.000 0.914 307 R CA 0.509 56.464 56.100 -0.242 0.000 1.071 307 R CB 0.754 30.932 30.300 -0.204 0.000 1.116 307 R HN 0.512 nan 8.270 nan 0.000 0.524 308 G N 2.766 111.169 108.800 -0.662 0.000 2.583 308 G HA2 -0.451 3.510 3.960 0.002 0.000 0.292 308 G HA3 -0.451 3.510 3.960 0.002 0.000 0.292 308 G C 0.655 175.332 174.900 -0.372 0.000 1.203 308 G CA 0.643 45.250 45.100 -0.821 0.000 0.987 308 G HN 0.481 nan 8.290 nan 0.000 0.554 309 R N 1.206 121.603 120.500 -0.172 0.000 2.276 309 R HA 0.197 4.538 4.340 0.002 0.000 0.203 309 R C 1.903 178.095 176.300 -0.180 0.000 1.017 309 R CA 1.696 57.704 56.100 -0.153 0.000 1.010 309 R CB -0.273 29.974 30.300 -0.089 0.000 0.900 309 R HN 0.678 nan 8.270 nan 0.000 0.469 310 E N 1.744 121.844 120.200 -0.166 0.000 2.409 310 E HA -0.119 4.232 4.350 0.002 0.000 0.198 310 E C 1.873 178.324 176.600 -0.248 0.000 1.024 310 E CA 1.092 57.367 56.400 -0.208 0.000 0.861 310 E CB -0.209 29.380 29.700 -0.186 0.000 0.788 310 E HN 0.657 nan 8.360 nan 0.000 0.521 311 I N -0.789 119.583 120.570 -0.329 0.000 2.700 311 I HA -0.153 4.018 4.170 0.002 0.000 0.261 311 I C 2.060 178.012 176.117 -0.276 0.000 1.219 311 I CA 1.200 62.222 61.300 -0.463 0.000 1.463 311 I CB -0.300 37.089 38.000 -1.018 0.000 1.092 311 I HN -0.065 nan 8.210 nan 0.000 0.452 312 S N 0.584 116.180 115.700 -0.172 0.000 2.593 312 S HA 0.202 4.673 4.470 0.002 0.000 0.217 312 S C 0.787 175.495 174.600 0.179 0.000 0.966 312 S CA -0.549 57.692 58.200 0.068 0.000 0.914 312 S CB -0.331 62.847 63.200 -0.037 0.000 0.776 312 S HN 0.484 nan 8.310 nan 0.000 0.523 313 R N 1.881 122.322 120.500 -0.098 0.000 2.229 313 R HA 0.330 4.671 4.340 0.002 0.000 0.328 313 R C 1.282 177.120 176.300 -0.770 0.000 1.009 313 R CA 0.300 56.120 56.100 -0.467 0.000 0.864 313 R CB 1.165 30.965 30.300 -0.835 0.000 1.085 313 R HN 0.462 nan 8.270 nan 0.000 0.453 314 S N 2.669 117.719 115.700 -1.082 0.000 2.399 314 S HA -0.222 4.249 4.470 0.002 0.000 0.231 314 S C 1.643 175.846 174.600 -0.663 0.000 1.022 314 S CA 1.007 58.262 58.200 -1.575 0.000 0.983 314 S CB -0.353 61.867 63.200 -1.633 0.000 0.803 314 S HN 0.790 nan 8.310 nan 0.000 0.480 315 Y N 0.820 120.883 120.300 -0.395 0.000 2.529 315 Y HA 0.707 5.258 4.550 0.002 0.000 0.290 315 Y C 1.070 176.888 175.900 -0.136 0.000 1.177 315 Y CA -0.684 57.286 58.100 -0.216 0.000 1.305 315 Y CB -0.514 37.845 38.460 -0.168 0.000 1.047 315 Y HN 0.345 nan 8.280 nan 0.000 0.522 316 A N 1.052 123.571 122.820 -0.501 0.000 3.214 316 A HA 0.322 4.643 4.320 0.002 0.000 0.304 316 A C -0.166 177.328 177.584 -0.150 0.000 0.969 316 A CA -0.671 51.191 52.037 -0.291 0.000 0.986 316 A CB -0.233 18.529 19.000 -0.396 0.000 1.073 316 A HN 0.409 nan 8.150 nan 0.000 0.487 317 Q N 0.413 120.196 119.800 -0.030 0.000 2.396 317 Q HA 0.121 4.462 4.340 0.002 0.000 0.221 317 Q C 0.679 176.732 176.000 0.089 0.000 1.025 317 Q CA -0.036 55.838 55.803 0.118 0.000 0.946 317 Q CB 0.795 29.677 28.738 0.240 0.000 1.224 317 Q HN 0.680 nan 8.270 nan 0.000 0.539 318 D N -0.114 120.356 120.400 0.117 0.000 2.149 318 D HA -0.282 4.359 4.640 0.002 0.000 0.194 318 D C 1.274 177.510 176.300 -0.107 0.000 1.001 318 D CA 1.963 55.962 54.000 -0.001 0.000 0.849 318 D CB -0.332 40.470 40.800 0.003 0.000 0.939 318 D HN 0.529 nan 8.370 nan 0.000 0.449 319 H N 0.218 119.292 119.070 0.006 0.000 2.395 319 H HA 0.212 4.769 4.556 0.002 0.000 0.299 319 H C 2.278 177.360 175.328 -0.410 0.000 1.070 319 H CA 1.205 57.168 56.048 -0.142 0.000 1.356 319 H CB -0.089 29.721 29.762 0.080 0.000 1.401 319 H HN 0.336 nan 8.280 nan 0.000 0.524 320 A N 0.801 123.589 122.820 -0.054 0.000 1.877 320 A HA -0.130 4.191 4.320 0.002 0.000 0.216 320 A C 2.793 180.350 177.584 -0.045 0.000 1.186 320 A CA 1.660 53.671 52.037 -0.044 0.000 0.620 320 A CB -0.910 18.113 19.000 0.037 0.000 0.822 320 A HN 0.189 nan 8.150 nan 0.000 0.443 321 V N 0.049 119.936 119.914 -0.045 0.000 2.287 321 V HA -0.210 3.911 4.120 0.002 0.000 0.248 321 V C 2.839 178.921 176.094 -0.020 0.000 1.053 321 V CA 2.016 64.298 62.300 -0.031 0.000 1.027 321 V CB -1.599 30.196 31.823 -0.047 0.000 0.646 321 V HN 0.626 nan 8.190 nan 0.000 0.447 322 G N -0.805 107.953 108.800 -0.070 0.000 2.446 322 G HA2 -0.301 3.660 3.960 0.002 0.000 0.217 322 G HA3 -0.301 3.660 3.960 0.002 0.000 0.217 322 G C 1.349 176.328 174.900 0.130 0.000 1.168 322 G CA 1.153 46.241 45.100 -0.021 0.000 0.771 322 G HN 0.577 nan 8.290 nan 0.000 0.551 323 H N 0.722 119.871 119.070 0.132 0.000 2.352 323 H HA -0.076 4.481 4.556 0.002 0.000 0.299 323 H C 2.842 178.235 175.328 0.108 0.000 1.097 323 H CA 1.086 57.242 56.048 0.181 0.000 1.311 323 H CB -1.008 28.772 29.762 0.029 0.000 1.377 323 H HN 0.353 nan 8.280 nan 0.000 0.504 324 G N 0.461 109.353 108.800 0.153 0.000 2.422 324 G HA2 -0.183 3.778 3.960 0.002 0.000 0.218 324 G HA3 -0.183 3.778 3.960 0.002 0.000 0.218 324 G C 1.932 176.863 174.900 0.052 0.000 1.146 324 G CA 0.880 46.024 45.100 0.073 0.000 0.769 324 G HN 0.353 nan 8.290 nan 0.000 0.547 325 I N 0.292 120.881 120.570 0.032 0.000 2.163 325 I HA -0.133 4.038 4.170 0.002 0.000 0.240 325 I C 2.756 178.844 176.117 -0.048 0.000 1.081 325 I CA 0.501 61.761 61.300 -0.067 0.000 1.353 325 I CB -0.310 37.639 38.000 -0.084 0.000 1.054 325 I HN 0.004 nan 8.210 nan 0.000 0.407 326 V N 1.225 121.176 119.914 0.062 0.000 2.469 326 V HA -0.311 3.810 4.120 0.002 0.000 0.251 326 V C 2.694 178.851 176.094 0.106 0.000 1.064 326 V CA 1.889 64.218 62.300 0.048 0.000 1.066 326 V CB -1.119 30.747 31.823 0.071 0.000 0.667 326 V HN 0.503 nan 8.190 nan 0.000 0.461 327 A N -0.450 122.518 122.820 0.246 0.000 1.902 327 A HA -0.204 4.117 4.320 0.002 0.000 0.217 327 A C 2.484 180.101 177.584 0.055 0.000 1.181 327 A CA 2.220 54.387 52.037 0.217 0.000 0.623 327 A CB -0.635 18.434 19.000 0.115 0.000 0.818 327 A HN 0.506 nan 8.150 nan 0.000 0.443 328 S N -0.159 115.536 115.700 -0.008 0.000 2.402 328 S HA -0.061 4.410 4.470 0.002 0.000 0.229 328 S C 1.756 176.283 174.600 -0.122 0.000 1.021 328 S CA 1.064 59.231 58.200 -0.055 0.000 0.974 328 S CB -0.306 62.843 63.200 -0.086 0.000 0.800 328 S HN 0.482 nan 8.310 nan 0.000 0.484 329 I N 1.241 121.705 120.570 -0.177 0.000 2.226 329 I HA -0.090 4.081 4.170 0.002 0.000 0.245 329 I C 2.262 178.272 176.117 -0.179 0.000 1.100 329 I CA 1.037 62.158 61.300 -0.299 0.000 1.374 329 I CB -1.535 36.302 38.000 -0.273 0.000 1.057 329 I HN 0.157 nan 8.210 nan 0.000 0.413 330 V N 1.137 121.003 119.914 -0.080 0.000 2.343 330 V HA -0.272 3.849 4.120 0.002 0.000 0.247 330 V C 2.765 178.840 176.094 -0.031 0.000 1.051 330 V CA 1.835 64.117 62.300 -0.030 0.000 1.036 330 V CB -0.792 31.041 31.823 0.016 0.000 0.654 330 V HN 0.320 nan 8.190 nan 0.000 0.451 331 R N 0.287 120.762 120.500 -0.041 0.000 2.080 331 R HA -0.163 4.178 4.340 0.002 0.000 0.236 331 R C 1.965 178.278 176.300 0.023 0.000 1.137 331 R CA 1.833 57.904 56.100 -0.049 0.000 0.943 331 R CB -1.075 29.211 30.300 -0.024 0.000 0.846 331 R HN 0.328 nan 8.270 nan 0.000 0.431 332 L N 0.536 121.743 121.223 -0.026 0.000 2.043 332 L HA -0.059 4.282 4.340 0.002 0.000 0.212 332 L C 2.269 179.028 176.870 -0.185 0.000 1.075 332 L CA 2.198 56.947 54.840 -0.151 0.000 0.752 332 L CB -1.344 40.584 42.059 -0.217 0.000 0.891 332 L HN 0.383 nan 8.230 nan 0.000 0.432 333 A N -1.567 121.266 122.820 0.022 0.000 2.178 333 A HA -0.183 4.138 4.320 0.002 0.000 0.218 333 A C 2.035 179.608 177.584 -0.018 0.000 1.157 333 A CA 0.957 53.020 52.037 0.044 0.000 0.689 333 A CB -0.333 18.714 19.000 0.077 0.000 0.787 333 A HN 0.477 nan 8.150 nan 0.000 0.465 334 Q N -1.432 118.391 119.800 0.038 0.000 2.297 334 Q HA -0.044 4.297 4.340 0.002 0.000 0.204 334 Q C 1.237 177.426 176.000 0.315 0.000 0.962 334 Q CA 1.505 57.420 55.803 0.188 0.000 0.879 334 Q CB -0.214 28.685 28.738 0.269 0.000 0.947 334 Q HN 1.016 nan 8.270 nan 0.000 0.462 335 F N -3.127 116.935 119.950 0.188 0.000 2.964 335 F HA 0.591 5.119 4.527 0.001 0.000 0.371 335 F C 0.503 176.358 175.800 0.092 0.000 1.026 335 F CA -0.615 57.479 58.000 0.157 0.000 1.106 335 F CB -0.380 38.751 39.000 0.220 0.000 1.135 335 F HN -0.169 nan 8.300 nan 0.000 0.557 336 A N 2.528 124.990 122.820 -0.596 0.000 2.536 336 A HA 0.427 4.748 4.320 0.002 0.000 0.234 336 A C -2.239 175.136 177.584 -0.348 0.000 1.076 336 A CA -0.745 50.927 52.037 -0.608 0.000 0.769 336 A CB -0.783 17.637 19.000 -0.966 0.000 1.020 336 A HN 0.205 nan 8.150 nan 0.000 0.508 337 P HA 0.193 nan 4.420 nan 0.000 0.269 337 P C 0.991 178.123 177.300 -0.281 0.000 1.215 337 P CA 0.640 63.636 63.100 -0.172 0.000 0.780 337 P CB 0.581 32.248 31.700 -0.054 0.000 0.898 338 A N 4.853 127.553 122.820 -0.201 0.000 1.894 338 A HA -0.215 4.106 4.320 0.002 0.000 0.220 338 A C -0.386 177.012 177.584 -0.310 0.000 1.237 338 A CA 2.314 54.222 52.037 -0.216 0.000 0.660 338 A CB -2.682 16.229 19.000 -0.149 0.000 0.835 338 A HN 0.534 nan 8.150 nan 0.000 0.461 339 P HA -0.184 nan 4.420 nan 0.000 0.214 339 P C 1.178 178.110 177.300 -0.614 0.000 1.163 339 P CA 1.724 64.529 63.100 -0.491 0.000 0.889 339 P CB -0.303 31.029 31.700 -0.615 0.000 0.790 340 H N -0.897 117.825 119.070 -0.580 0.000 2.363 340 H HA 0.085 4.642 4.556 0.002 0.000 0.301 340 H C 2.014 176.533 175.328 -1.349 0.000 1.074 340 H CA 1.466 56.902 56.048 -1.019 0.000 1.354 340 H CB -1.003 27.876 29.762 -1.471 0.000 1.397 340 H HN 0.064 nan 8.280 nan 0.000 0.516 341 A N 1.608 123.930 122.820 -0.829 0.000 1.883 341 A HA -0.168 4.153 4.320 0.002 0.000 0.217 341 A C 2.733 180.137 177.584 -0.299 0.000 1.186 341 A CA 2.128 53.848 52.037 -0.528 0.000 0.624 341 A CB -0.949 17.864 19.000 -0.312 0.000 0.822 341 A HN 0.444 nan 8.150 nan 0.000 0.444 342 A N -0.305 122.358 122.820 -0.263 0.000 1.902 342 A HA 0.144 4.465 4.320 0.002 0.000 0.217 342 A C 2.518 180.039 177.584 -0.106 0.000 1.181 342 A CA 2.205 54.151 52.037 -0.151 0.000 0.623 342 A CB -1.047 17.865 19.000 -0.147 0.000 0.818 342 A HN 1.135 nan 8.150 nan 0.000 0.443 343 A N -0.880 121.848 122.820 -0.153 0.000 1.902 343 A HA -0.056 4.265 4.320 0.002 0.000 0.217 343 A C 2.094 179.792 177.584 0.190 0.000 1.181 343 A CA 1.383 53.423 52.037 0.005 0.000 0.623 343 A CB -0.827 18.207 19.000 0.056 0.000 0.818 343 A HN 0.583 nan 8.150 nan 0.000 0.443 344 F N -0.000 119.936 119.950 -0.023 0.000 2.134 344 F HA -0.189 4.339 4.527 0.002 0.000 0.299 344 F C 2.483 178.242 175.800 -0.069 0.000 1.097 344 F CA 1.227 59.188 58.000 -0.066 0.000 1.264 344 F CB -0.167 38.748 39.000 -0.142 0.000 1.001 344 F HN 0.184 nan 8.300 nan 0.000 0.479 345 K N 0.379 120.849 120.400 0.117 0.000 2.057 345 K HA -0.203 4.118 4.320 0.002 0.000 0.207 345 K C 1.964 178.571 176.600 0.011 0.000 1.049 345 K CA 1.375 57.681 56.287 0.031 0.000 0.931 345 K CB -0.344 32.155 32.500 -0.001 0.000 0.714 345 K HN 0.382 nan 8.250 nan 0.000 0.440 346 Q N 0.543 120.356 119.800 0.022 0.000 2.096 346 Q HA -0.150 4.191 4.340 0.002 0.000 0.204 346 Q C 2.229 178.237 176.000 0.012 0.000 0.982 346 Q CA 1.367 57.175 55.803 0.010 0.000 0.850 346 Q CB -0.204 28.541 28.738 0.013 0.000 0.901 346 Q HN 0.379 nan 8.270 nan 0.000 0.422 347 I N 0.624 121.223 120.570 0.049 0.000 2.202 347 I HA -0.240 3.931 4.170 0.002 0.000 0.242 347 I C 2.514 178.611 176.117 -0.033 0.000 1.091 347 I CA 0.883 62.203 61.300 0.034 0.000 1.368 347 I CB -0.511 37.542 38.000 0.089 0.000 1.058 347 I HN 0.126 nan 8.210 nan 0.000 0.410 348 A N 0.961 123.747 122.820 -0.057 0.000 1.883 348 A HA -0.287 4.034 4.320 0.002 0.000 0.217 348 A C 2.386 179.856 177.584 -0.191 0.000 1.186 348 A CA 2.138 54.083 52.037 -0.153 0.000 0.624 348 A CB -0.603 18.304 19.000 -0.155 0.000 0.822 348 A HN 0.355 nan 8.150 nan 0.000 0.444 349 K N -0.795 119.532 120.400 -0.121 0.000 2.063 349 K HA -0.182 4.139 4.320 0.002 0.000 0.208 349 K C 2.398 178.937 176.600 -0.101 0.000 1.048 349 K CA 1.434 57.655 56.287 -0.110 0.000 0.928 349 K CB -0.183 32.282 32.500 -0.059 0.000 0.713 349 K HN 0.338 nan 8.250 nan 0.000 0.442 350 R N 0.593 121.049 120.500 -0.074 0.000 2.081 350 R HA -0.093 4.248 4.340 0.002 0.000 0.235 350 R C 2.026 178.280 176.300 -0.078 0.000 1.131 350 R CA 1.417 57.481 56.100 -0.061 0.000 0.960 350 R CB -0.332 29.945 30.300 -0.039 0.000 0.856 350 R HN 0.138 nan 8.270 nan 0.000 0.436 351 V N 1.348 121.203 119.914 -0.098 0.000 2.307 351 V HA -0.221 3.900 4.120 0.002 0.000 0.245 351 V C 2.459 178.482 176.094 -0.118 0.000 1.045 351 V CA 1.634 63.879 62.300 -0.092 0.000 1.024 351 V CB -0.382 31.392 31.823 -0.083 0.000 0.651 351 V HN 0.262 nan 8.190 nan 0.000 0.449 352 I N -0.286 120.135 120.570 -0.250 0.000 2.335 352 I HA -0.337 3.834 4.170 0.002 0.000 0.251 352 I C 2.606 178.625 176.117 -0.162 0.000 1.129 352 I CA 1.691 62.791 61.300 -0.335 0.000 1.402 352 I CB -0.367 37.309 38.000 -0.540 0.000 1.069 352 I HN 0.400 nan 8.210 nan 0.000 0.424 353 Q N 0.189 119.926 119.800 -0.104 0.000 2.163 353 Q HA -0.143 4.198 4.340 0.002 0.000 0.198 353 Q C 2.061 178.049 176.000 -0.021 0.000 0.954 353 Q CA 0.927 56.702 55.803 -0.047 0.000 0.851 353 Q CB 0.097 28.814 28.738 -0.035 0.000 0.928 353 Q HN 0.494 nan 8.270 nan 0.000 0.459 354 E N 0.737 120.920 120.200 -0.027 0.000 2.150 354 E HA -0.127 4.224 4.350 0.002 0.000 0.193 354 E C 0.179 176.799 176.600 0.033 0.000 0.985 354 E CA 0.391 56.782 56.400 -0.015 0.000 0.814 354 E CB 0.147 29.811 29.700 -0.059 0.000 0.752 354 E HN 0.127 nan 8.360 nan 0.000 0.466 355 D N 0.769 121.212 120.400 0.072 0.000 2.455 355 D HA -0.024 4.617 4.640 0.002 0.000 0.234 355 D C 0.343 176.713 176.300 0.116 0.000 1.224 355 D CA 0.169 54.264 54.000 0.159 0.000 0.999 355 D CB 0.451 41.432 40.800 0.302 0.000 1.072 355 D HN 0.028 nan 8.370 nan 0.000 0.514 356 T N 0.071 114.688 114.554 0.105 0.000 3.144 356 T HA -0.009 4.342 4.350 0.002 0.000 0.249 356 T C 1.464 176.221 174.700 0.094 0.000 1.089 356 T CA -0.359 61.789 62.100 0.080 0.000 0.989 356 T CB -0.289 68.623 68.868 0.073 0.000 0.992 356 T HN 0.273 nan 8.240 nan 0.000 0.540 357 F N 2.157 122.067 119.950 -0.067 0.000 2.188 357 F HA 0.459 4.987 4.527 0.002 0.000 0.289 357 F C 0.715 176.465 175.800 -0.082 0.000 1.082 357 F CA 0.093 58.014 58.000 -0.131 0.000 1.282 357 F CB -0.091 38.692 39.000 -0.363 0.000 1.060 357 F HN 0.189 nan 8.300 nan 0.000 0.493 358 S N 0.094 115.618 115.700 -0.292 0.000 2.614 358 S HA 0.396 4.867 4.470 0.002 0.000 0.288 358 S C -0.766 173.863 174.600 0.048 0.000 1.137 358 S CA -0.665 57.383 58.200 -0.254 0.000 0.992 358 S CB 0.959 64.030 63.200 -0.215 0.000 1.026 358 S HN 0.345 nan 8.310 nan 0.000 0.486 359 S N 4.226 119.900 115.700 -0.043 0.000 2.515 359 S HA 0.111 4.582 4.470 0.002 0.000 0.285 359 S C 1.039 175.495 174.600 -0.241 0.000 1.265 359 S CA -0.315 57.844 58.200 -0.069 0.000 1.079 359 S CB -0.433 62.763 63.200 -0.008 0.000 0.877 359 S HN 0.745 nan 8.310 nan 0.000 0.493 360 F N 6.541 126.104 119.950 -0.645 0.000 2.120 360 F HA -0.169 4.359 4.527 0.001 0.000 0.300 360 F C 1.054 176.504 175.800 -0.583 0.000 1.095 360 F CA 1.692 59.081 58.000 -1.017 0.000 1.249 360 F CB -0.388 38.090 39.000 -0.871 0.000 0.995 360 F HN 0.818 nan 8.300 nan 0.000 0.480 361 Y N 0.332 120.510 120.300 -0.203 0.000 2.497 361 Y HA 0.090 4.641 4.550 0.002 0.000 0.292 361 Y C 2.570 178.330 175.900 -0.233 0.000 1.137 361 Y CA 0.585 58.549 58.100 -0.226 0.000 1.285 361 Y CB -1.433 37.003 38.460 -0.040 0.000 0.991 361 Y HN 0.144 nan 8.280 nan 0.000 0.556 362 G N 0.074 108.819 108.800 -0.090 0.000 2.534 362 G HA2 -0.142 3.819 3.960 0.002 0.000 0.217 362 G HA3 -0.142 3.819 3.960 0.002 0.000 0.217 362 G C 0.197 175.046 174.900 -0.085 0.000 1.128 362 G CA 1.024 46.086 45.100 -0.064 0.000 0.784 362 G HN 0.467 nan 8.290 nan 0.000 0.542 363 D N -0.765 119.546 120.400 -0.148 0.000 2.940 363 D HA 0.240 4.881 4.640 0.002 0.000 0.366 363 D C 0.010 176.216 176.300 -0.157 0.000 1.446 363 D CA -0.518 53.426 54.000 -0.093 0.000 0.780 363 D CB -0.053 40.757 40.800 0.017 0.000 1.206 363 D HN 0.322 nan 8.370 nan 0.000 0.454 364 V N -2.723 117.047 119.914 -0.240 0.000 3.160 364 V HA 0.845 4.966 4.120 0.002 0.000 0.310 364 V C 0.268 176.268 176.094 -0.157 0.000 1.181 364 V CA -0.877 61.272 62.300 -0.251 0.000 1.047 364 V CB 1.335 32.855 31.823 -0.507 0.000 1.068 364 V HN 0.232 nan 8.190 nan 0.000 0.441 365 S N 0.302 115.930 115.700 -0.119 0.000 2.573 365 S HA 0.116 4.587 4.470 0.002 0.000 0.277 365 S C 1.417 175.968 174.600 -0.083 0.000 1.346 365 S CA 0.411 58.555 58.200 -0.093 0.000 1.034 365 S CB 0.762 63.905 63.200 -0.096 0.000 0.879 365 S HN 1.790 nan 8.310 nan 0.000 0.528 366 T N -0.981 113.529 114.554 -0.074 0.000 2.759 366 T HA -0.210 4.141 4.350 0.002 0.000 0.269 366 T C 1.232 175.897 174.700 -0.058 0.000 1.042 366 T CA 1.673 63.733 62.100 -0.065 0.000 1.140 366 T CB -0.793 68.032 68.868 -0.071 0.000 0.864 366 T HN 0.719 nan 8.240 nan 0.000 0.455 367 D N 1.142 121.500 120.400 -0.071 0.000 2.144 367 D HA -0.063 4.578 4.640 0.002 0.000 0.200 367 D C 2.218 178.493 176.300 -0.042 0.000 0.978 367 D CA 1.340 55.299 54.000 -0.068 0.000 0.833 367 D CB -0.540 40.199 40.800 -0.102 0.000 0.961 367 D HN 0.419 nan 8.370 nan 0.000 0.470 368 T N -0.006 114.527 114.554 -0.035 0.000 2.788 368 T HA -0.087 4.264 4.350 0.002 0.000 0.268 368 T C 2.056 176.831 174.700 0.125 0.000 1.044 368 T CA 0.854 62.971 62.100 0.029 0.000 1.139 368 T CB -0.178 68.693 68.868 0.005 0.000 0.867 368 T HN 0.214 nan 8.240 nan 0.000 0.454 369 I N 0.689 121.313 120.570 0.090 0.000 2.179 369 I HA -0.180 3.991 4.170 0.002 0.000 0.242 369 I C 2.810 178.968 176.117 0.068 0.000 1.088 369 I CA 1.302 62.694 61.300 0.155 0.000 1.357 369 I CB -0.399 37.619 38.000 0.031 0.000 1.051 369 I HN 0.129 nan 8.210 nan 0.000 0.409 370 R N 0.977 121.481 120.500 0.006 0.000 2.080 370 R HA -0.213 4.128 4.340 0.002 0.000 0.236 370 R C 2.313 178.621 176.300 0.014 0.000 1.137 370 R CA 1.753 57.843 56.100 -0.016 0.000 0.943 370 R CB -0.176 30.108 30.300 -0.028 0.000 0.846 370 R HN 0.165 nan 8.270 nan 0.000 0.431 371 L N 0.488 121.729 121.223 0.031 0.000 2.046 371 L HA -0.072 4.269 4.340 0.002 0.000 0.208 371 L C 2.548 179.456 176.870 0.063 0.000 1.077 371 L CA 2.091 56.952 54.840 0.034 0.000 0.747 371 L CB -0.975 41.093 42.059 0.014 0.000 0.896 371 L HN 0.306 nan 8.230 nan 0.000 0.432 372 A N -0.967 121.933 122.820 0.134 0.000 1.898 372 A HA -0.219 4.102 4.320 0.002 0.000 0.216 372 A C 2.381 180.057 177.584 0.152 0.000 1.181 372 A CA 1.626 53.756 52.037 0.155 0.000 0.620 372 A CB -0.458 18.730 19.000 0.313 0.000 0.819 372 A HN 0.252 nan 8.150 nan 0.000 0.442 373 K N 0.055 120.546 120.400 0.153 0.000 2.113 373 K HA -0.098 4.223 4.320 0.002 0.000 0.208 373 K C 1.886 178.499 176.600 0.022 0.000 1.047 373 K CA 1.476 57.787 56.287 0.039 0.000 0.928 373 K CB -0.416 32.026 32.500 -0.097 0.000 0.716 373 K HN 0.419 nan 8.250 nan 0.000 0.446 374 A N -0.020 122.812 122.820 0.019 0.000 2.119 374 A HA -0.057 4.264 4.320 0.002 0.000 0.217 374 A C 1.703 179.292 177.584 0.009 0.000 1.153 374 A CA 0.985 53.027 52.037 0.008 0.000 0.692 374 A CB -0.350 18.655 19.000 0.008 0.000 0.799 374 A HN 0.187 nan 8.150 nan 0.000 0.458 375 I N -0.783 119.797 120.570 0.016 0.000 2.556 375 I HA -0.053 4.118 4.170 0.002 0.000 0.251 375 I C 2.367 178.485 176.117 0.002 0.000 1.105 375 I CA 0.844 62.146 61.300 0.002 0.000 1.436 375 I CB -1.313 36.682 38.000 -0.009 0.000 1.139 375 I HN 0.103 nan 8.210 nan 0.000 0.438 376 V N 1.401 121.326 119.914 0.018 0.000 2.490 376 V HA -0.213 3.908 4.120 0.002 0.000 0.250 376 V C 1.670 177.776 176.094 0.019 0.000 1.061 376 V CA 1.715 64.029 62.300 0.024 0.000 1.064 376 V CB -0.653 31.219 31.823 0.082 0.000 0.670 376 V HN 0.369 nan 8.190 nan 0.000 0.461 377 D N -0.772 119.637 120.400 0.015 0.000 2.339 377 D HA 0.017 4.658 4.640 0.002 0.000 0.217 377 D C 0.704 177.004 176.300 -0.001 0.000 1.050 377 D CA 0.177 54.179 54.000 0.004 0.000 0.856 377 D CB 0.020 40.818 40.800 -0.004 0.000 0.922 377 D HN 0.368 nan 8.370 nan 0.000 0.518 378 D N 2.274 122.673 120.400 -0.002 0.000 2.359 378 D HA 0.010 4.651 4.640 0.002 0.000 0.250 378 D C -1.295 175.000 176.300 -0.008 0.000 1.264 378 D CA -1.740 52.256 54.000 -0.006 0.000 0.911 378 D CB 1.528 42.324 40.800 -0.008 0.000 1.056 378 D HN 0.022 nan 8.370 nan 0.000 0.499 379 P HA -0.119 nan 4.420 nan 0.000 0.228 379 P C 0.910 178.203 177.300 -0.011 0.000 1.151 379 P CA 0.550 63.645 63.100 -0.008 0.000 0.770 379 P CB 0.182 31.878 31.700 -0.007 0.000 0.786 380 S N -1.414 114.278 115.700 -0.013 0.000 2.558 380 S HA 0.072 4.543 4.470 0.002 0.000 0.217 380 S C 0.985 175.573 174.600 -0.020 0.000 0.975 380 S CA -0.174 58.016 58.200 -0.017 0.000 0.912 380 S CB -0.481 62.708 63.200 -0.018 0.000 0.776 380 S HN -0.079 nan 8.310 nan 0.000 0.526 381 I N 2.761 123.320 120.570 -0.018 0.000 2.312 381 I HA 0.550 4.721 4.170 0.002 0.000 0.290 381 I C 0.413 176.519 176.117 -0.019 0.000 1.008 381 I CA -0.839 60.449 61.300 -0.021 0.000 1.226 381 I CB 0.383 38.371 38.000 -0.020 0.000 1.371 381 I HN 0.214 nan 8.210 nan 0.000 0.468 382 A N 9.142 131.950 122.820 -0.020 0.000 2.306 382 A HA 0.759 5.080 4.320 0.002 0.000 0.314 382 A C -2.450 175.124 177.584 -0.017 0.000 1.164 382 A CA -1.446 50.580 52.037 -0.018 0.000 0.822 382 A CB 0.329 19.318 19.000 -0.018 0.000 1.130 382 A HN 0.432 nan 8.150 nan 0.000 0.496 383 P HA 0.287 nan 4.420 nan 0.000 0.268 383 P C -0.155 177.137 177.300 -0.013 0.000 1.205 383 P CA 0.201 63.289 63.100 -0.019 0.000 0.771 383 P CB 0.737 32.425 31.700 -0.021 0.000 0.858 384 A N 3.015 125.831 122.820 -0.006 0.000 2.386 384 A HA 0.528 4.849 4.320 0.002 0.000 0.248 384 A C 0.565 178.149 177.584 -0.000 0.000 1.082 384 A CA -0.084 51.955 52.037 0.003 0.000 0.789 384 A CB -0.282 18.735 19.000 0.028 0.000 1.025 384 A HN 0.611 nan 8.150 nan 0.000 0.490 385 A N 0.605 123.424 122.820 -0.001 0.000 2.448 385 A HA 0.515 4.836 4.320 0.002 0.000 0.239 385 A C 0.835 178.421 177.584 0.002 0.000 1.080 385 A CA 0.334 52.370 52.037 -0.003 0.000 0.779 385 A CB -0.305 18.691 19.000 -0.006 0.000 1.026 385 A HN 2.177 nan 8.150 nan 0.000 0.499 386 A N 1.933 124.752 122.820 -0.002 0.000 2.316 386 A HA 0.637 4.958 4.320 0.002 0.000 0.284 386 A C -1.973 175.616 177.584 0.008 0.000 1.115 386 A CA -1.411 50.626 52.037 -0.001 0.000 0.812 386 A CB -0.280 18.715 19.000 -0.008 0.000 1.064 386 A HN 0.738 nan 8.150 nan 0.000 0.489 387 P HA 0.142 nan 4.420 nan 0.000 0.276 387 P C -1.106 176.198 177.300 0.008 0.000 1.235 387 P CA -0.103 63.010 63.100 0.022 0.000 0.772 387 P CB 0.509 32.235 31.700 0.043 0.000 0.871 388 N N 3.351 122.046 118.700 -0.008 0.000 2.617 388 N HA 0.439 5.180 4.740 0.002 0.000 0.263 388 N C -0.943 174.546 175.510 -0.034 0.000 1.074 388 N CA -0.579 52.453 53.050 -0.029 0.000 0.841 388 N CB 0.159 38.627 38.487 -0.033 0.000 1.221 388 N HN 0.235 nan 8.380 nan 0.000 0.529 389 L N 0.145 121.355 121.223 -0.023 0.000 3.064 389 L HA 0.600 4.941 4.340 0.002 0.000 0.282 389 L C -2.029 174.874 176.870 0.055 0.000 1.045 389 L CA -1.247 53.588 54.840 -0.008 0.000 0.986 389 L CB 0.309 42.359 42.059 -0.015 0.000 1.571 389 L HN 0.284 nan 8.230 nan 0.000 0.377 390 Y N 0.436 120.706 120.300 -0.050 0.000 2.346 390 Y HA 0.751 5.302 4.550 0.002 0.000 0.332 390 Y C -0.867 175.010 175.900 -0.038 0.000 0.985 390 Y CA -0.582 57.508 58.100 -0.016 0.000 1.112 390 Y CB 1.534 40.000 38.460 0.010 0.000 1.170 390 Y HN 0.811 nan 8.280 nan 0.000 0.447 391 K N 4.685 124.685 120.400 -0.668 0.000 2.397 391 K HA 0.361 4.682 4.320 0.002 0.000 0.253 391 K C -1.465 174.696 176.600 -0.732 0.000 0.932 391 K CA -0.985 54.947 56.287 -0.593 0.000 0.795 391 K CB 1.746 33.941 32.500 -0.508 0.000 1.159 391 K HN 0.699 nan 8.250 nan 0.000 0.424 392 Q N 3.248 122.734 119.800 -0.524 0.000 2.430 392 Q HA 0.192 4.533 4.340 0.002 0.000 0.245 392 Q C -1.701 174.138 176.000 -0.268 0.000 1.021 392 Q CA -0.293 55.330 55.803 -0.300 0.000 0.867 392 Q CB 0.520 29.208 28.738 -0.082 0.000 1.210 392 Q HN 0.470 nan 8.270 nan 0.000 0.487 393 Y N 2.982 123.212 120.300 -0.117 0.000 2.568 393 Y HA 0.247 4.798 4.550 0.002 0.000 0.338 393 Y C 1.249 177.094 175.900 -0.091 0.000 1.245 393 Y CA -0.076 57.968 58.100 -0.094 0.000 1.667 393 Y CB 0.195 38.599 38.460 -0.094 0.000 1.568 393 Y HN 0.869 nan 8.280 nan 0.000 0.471 394 A N 2.411 125.231 122.820 -0.001 0.000 1.940 394 A HA -0.191 4.130 4.320 0.002 0.000 0.219 394 A C 2.322 179.865 177.584 -0.068 0.000 1.176 394 A CA 1.774 53.796 52.037 -0.024 0.000 0.631 394 A CB -0.613 18.363 19.000 -0.039 0.000 0.814 394 A HN 0.714 nan 8.150 nan 0.000 0.446 395 A N -0.445 122.292 122.820 -0.139 0.000 2.168 395 A HA 0.174 4.495 4.320 0.002 0.000 0.215 395 A C 1.795 179.176 177.584 -0.337 0.000 1.152 395 A CA 1.387 53.214 52.037 -0.351 0.000 0.716 395 A CB -0.570 17.955 19.000 -0.792 0.000 0.794 395 A HN 0.899 nan 8.150 nan 0.000 0.465 396 M N -4.008 115.487 119.600 -0.175 0.000 2.625 396 M HA 0.345 4.826 4.480 0.002 0.000 0.396 396 M C -0.729 175.538 176.300 -0.054 0.000 1.174 396 M CA -0.184 55.031 55.300 -0.141 0.000 0.898 396 M CB 0.386 32.892 32.600 -0.158 0.000 1.450 396 M HN -0.044 nan 8.290 nan 0.000 0.522 397 D N 2.105 122.496 120.400 -0.014 0.000 2.751 397 D HA -0.131 4.510 4.640 0.002 0.000 0.233 397 D C -0.529 175.800 176.300 0.049 0.000 1.149 397 D CA 0.897 54.921 54.000 0.039 0.000 0.682 397 D CB -0.442 40.398 40.800 0.066 0.000 1.068 397 D HN 0.577 nan 8.370 nan 0.000 0.429 398 R N -0.470 120.059 120.500 0.048 0.000 2.892 398 R HA 0.918 5.259 4.340 0.002 0.000 0.265 398 R C -0.141 176.223 176.300 0.106 0.000 1.025 398 R CA -0.734 55.389 56.100 0.039 0.000 0.982 398 R CB 2.040 32.304 30.300 -0.060 0.000 1.185 398 R HN 0.057 nan 8.270 nan 0.000 0.484 399 A N 0.527 123.388 122.820 0.069 0.000 2.549 399 A HA 0.681 5.002 4.320 0.002 0.000 0.297 399 A C -1.298 176.293 177.584 0.013 0.000 1.061 399 A CA -0.629 51.419 52.037 0.017 0.000 0.690 399 A CB 1.847 20.849 19.000 0.004 0.000 1.287 399 A HN 0.315 nan 8.150 nan 0.000 0.402 400 V N 0.949 120.816 119.914 -0.078 0.000 2.841 400 V HA 0.738 4.859 4.120 0.002 0.000 0.310 400 V C -1.184 174.896 176.094 -0.023 0.000 1.090 400 V CA -0.586 61.715 62.300 0.002 0.000 0.930 400 V CB 1.722 33.591 31.823 0.077 0.000 1.014 400 V HN 0.965 nan 8.190 nan 0.000 0.425 401 L N 3.106 124.397 121.223 0.113 0.000 2.381 401 L HA 0.645 4.986 4.340 0.002 0.000 0.274 401 L C -0.685 176.228 176.870 0.072 0.000 0.988 401 L CA 0.076 55.019 54.840 0.171 0.000 0.824 401 L CB 1.928 44.167 42.059 0.301 0.000 1.263 401 L HN 0.716 nan 8.230 nan 0.000 0.410 402 Q N 5.206 125.011 119.800 0.009 0.000 2.325 402 Q HA 0.569 4.910 4.340 0.002 0.000 0.270 402 Q C -0.954 174.952 176.000 -0.157 0.000 1.020 402 Q CA -0.821 54.952 55.803 -0.050 0.000 0.785 402 Q CB 2.595 31.344 28.738 0.018 0.000 1.259 402 Q HN 0.505 nan 8.270 nan 0.000 0.452 403 R N 1.737 122.020 120.500 -0.361 0.000 2.912 403 R HA 0.457 4.798 4.340 0.002 0.000 0.262 403 R C -1.637 174.524 176.300 -0.231 0.000 1.057 403 R CA -2.070 53.782 56.100 -0.413 0.000 0.981 403 R CB 0.162 29.917 30.300 -0.908 0.000 1.201 403 R HN 0.299 nan 8.270 nan 0.000 0.484 404 P HA -0.135 nan 4.420 nan 0.000 0.213 404 P C 1.005 178.347 177.300 0.071 0.000 1.170 404 P CA 1.707 64.807 63.100 0.000 0.000 0.902 404 P CB 0.060 31.776 31.700 0.028 0.000 0.789 405 G N -1.738 107.125 108.800 0.106 0.000 2.813 405 G HA2 0.257 4.218 3.960 0.002 0.000 0.209 405 G HA3 0.257 4.218 3.960 0.002 0.000 0.209 405 G C 0.410 175.546 174.900 0.394 0.000 1.150 405 G CA 0.063 45.317 45.100 0.258 0.000 0.785 405 G HN 0.440 nan 8.290 nan 0.000 0.535 406 F N -2.544 117.514 119.950 0.181 0.000 3.052 406 F HA 0.813 5.341 4.527 0.002 0.000 0.323 406 F C -0.874 174.910 175.800 -0.026 0.000 1.178 406 F CA -1.616 56.406 58.000 0.037 0.000 0.892 406 F CB 1.119 40.131 39.000 0.021 0.000 1.416 406 F HN 0.163 nan 8.300 nan 0.000 0.488 407 A N 1.082 123.941 122.820 0.065 0.000 2.574 407 A HA 0.756 5.077 4.320 0.002 0.000 0.297 407 A C -2.593 175.184 177.584 0.321 0.000 1.062 407 A CA -0.638 51.433 52.037 0.056 0.000 0.686 407 A CB 1.772 20.687 19.000 -0.143 0.000 1.285 407 A HN 1.269 nan 8.150 nan 0.000 0.403 408 L N 1.353 122.761 121.223 0.308 0.000 2.362 408 L HA 0.824 5.165 4.340 0.002 0.000 0.275 408 L C 0.248 177.265 176.870 0.246 0.000 0.998 408 L CA 0.141 55.165 54.840 0.307 0.000 0.820 408 L CB 2.038 44.270 42.059 0.289 0.000 1.270 408 L HN 0.984 nan 8.230 nan 0.000 0.415 409 G N 5.257 114.236 108.800 0.299 0.000 2.416 409 G HA2 0.557 4.518 3.960 0.002 0.000 0.324 409 G HA3 0.557 4.518 3.960 0.002 0.000 0.324 409 G C -1.702 173.321 174.900 0.205 0.000 1.194 409 G CA -0.490 44.749 45.100 0.232 0.000 0.922 409 G HN 0.621 nan 8.290 nan 0.000 0.467 410 L N 2.300 123.566 121.223 0.072 0.000 2.325 410 L HA 0.706 5.047 4.340 0.002 0.000 0.281 410 L C -0.002 176.861 176.870 -0.012 0.000 1.004 410 L CA -0.933 53.864 54.840 -0.071 0.000 0.823 410 L CB 1.699 43.609 42.059 -0.249 0.000 1.236 410 L HN 0.594 nan 8.230 nan 0.000 0.415 411 A N 6.492 129.343 122.820 0.050 0.000 2.256 411 A HA 0.696 5.017 4.320 0.002 0.000 0.317 411 A C -0.945 176.706 177.584 0.112 0.000 1.318 411 A CA -0.521 51.583 52.037 0.112 0.000 0.894 411 A CB 0.619 19.773 19.000 0.257 0.000 1.165 411 A HN 0.515 nan 8.150 nan 0.000 0.525 412 L N 1.445 122.743 121.223 0.124 0.000 2.256 412 L HA 0.730 5.071 4.340 0.002 0.000 0.261 412 L C -0.244 176.805 176.870 0.298 0.000 1.022 412 L CA -0.678 54.290 54.840 0.214 0.000 0.828 412 L CB 0.958 43.122 42.059 0.175 0.000 1.374 412 L HN 0.853 nan 8.230 nan 0.000 0.436 413 Y N -1.173 119.215 120.300 0.146 0.000 2.655 413 Y HA 0.759 5.310 4.550 0.002 0.000 0.336 413 Y C -0.393 175.579 175.900 0.120 0.000 1.154 413 Y CA -0.533 57.634 58.100 0.113 0.000 1.055 413 Y CB 1.781 40.319 38.460 0.131 0.000 1.295 413 Y HN 0.752 nan 8.280 nan 0.000 0.465 414 S N -0.880 114.826 115.700 0.010 0.000 2.862 414 S HA 0.212 4.683 4.470 0.002 0.000 0.300 414 S C 0.344 174.954 174.600 0.016 0.000 1.240 414 S CA -0.212 57.931 58.200 -0.094 0.000 1.025 414 S CB 0.492 63.695 63.200 0.005 0.000 1.340 414 S HN 1.275 nan 8.310 nan 0.000 0.544 415 T N -0.763 113.800 114.554 0.014 0.000 3.072 415 T HA 0.184 4.535 4.350 0.002 0.000 0.266 415 T C 1.324 176.035 174.700 0.018 0.000 1.127 415 T CA 0.692 62.809 62.100 0.029 0.000 1.107 415 T CB -0.424 68.461 68.868 0.028 0.000 0.910 415 T HN 0.566 nan 8.240 nan 0.000 0.513 416 R N -0.149 120.356 120.500 0.009 0.000 2.167 416 R HA 0.378 4.719 4.340 0.002 0.000 0.201 416 R C 0.036 176.303 176.300 -0.056 0.000 1.024 416 R CA 0.131 56.219 56.100 -0.021 0.000 1.053 416 R CB 0.445 30.730 30.300 -0.025 0.000 0.987 416 R HN 0.326 nan 8.270 nan 0.000 0.493 417 I N 1.194 121.750 120.570 -0.024 0.000 2.433 417 I HA 0.249 4.420 4.170 0.002 0.000 0.292 417 I C 0.043 176.156 176.117 -0.007 0.000 1.001 417 I CA -0.597 60.661 61.300 -0.070 0.000 1.119 417 I CB 1.854 39.843 38.000 -0.018 0.000 1.289 417 I HN -0.034 nan 8.210 nan 0.000 0.438 418 S N 3.030 118.578 115.700 -0.254 0.000 2.603 418 S HA 0.137 4.608 4.470 0.002 0.000 0.268 418 S C 1.464 176.009 174.600 -0.091 0.000 1.317 418 S CA -0.279 57.803 58.200 -0.198 0.000 1.012 418 S CB 1.180 64.067 63.200 -0.521 0.000 0.926 418 S HN 0.781 nan 8.310 nan 0.000 0.539 419 S N 1.000 116.552 115.700 -0.248 0.000 2.359 419 S HA -0.130 4.341 4.470 0.002 0.000 0.223 419 S C 0.284 174.970 174.600 0.144 0.000 1.039 419 S CA 1.481 59.464 58.200 -0.362 0.000 1.042 419 S CB -0.774 62.180 63.200 -0.410 0.000 0.915 419 S HN 0.944 nan 8.310 nan 0.000 0.439 420 Y N -0.869 119.447 120.300 0.025 0.000 2.741 420 Y HA 0.742 5.293 4.550 0.002 0.000 0.339 420 Y C -1.141 174.895 175.900 0.227 0.000 1.226 420 Y CA -1.736 56.419 58.100 0.091 0.000 1.072 420 Y CB 0.623 39.039 38.460 -0.074 0.000 1.331 420 Y HN 0.235 nan 8.280 nan 0.000 0.453 421 E N 1.093 121.212 120.200 -0.136 0.000 2.195 421 E HA 0.673 5.024 4.350 0.002 0.000 0.271 421 E C -1.535 174.896 176.600 -0.282 0.000 0.923 421 E CA -0.873 55.248 56.400 -0.465 0.000 0.790 421 E CB 1.768 30.906 29.700 -0.936 0.000 1.155 421 E HN 0.712 nan 8.360 nan 0.000 0.402 422 S N 5.165 120.705 115.700 -0.267 0.000 2.609 422 S HA 0.408 4.879 4.470 0.002 0.000 0.250 422 S C -0.996 173.551 174.600 -0.087 0.000 1.112 422 S CA -0.668 57.459 58.200 -0.122 0.000 1.102 422 S CB -0.088 63.093 63.200 -0.032 0.000 1.124 422 S HN 0.538 nan 8.310 nan 0.000 0.460 423 I N 0.913 121.445 120.570 -0.063 0.000 3.074 423 I HA 0.681 4.852 4.170 0.002 0.000 0.310 423 I C -0.310 175.801 176.117 -0.010 0.000 1.153 423 I CA -1.177 60.107 61.300 -0.027 0.000 0.993 423 I CB 1.757 39.743 38.000 -0.023 0.000 1.237 423 I HN 0.525 nan 8.210 nan 0.000 0.443 424 N N 2.248 120.960 118.700 0.021 0.000 2.727 424 N HA -0.232 4.509 4.740 0.002 0.000 0.249 424 N C 0.294 175.816 175.510 0.020 0.000 1.048 424 N CA 1.333 54.407 53.050 0.040 0.000 0.714 424 N CB -1.179 37.319 38.487 0.018 0.000 0.959 424 N HN 1.184 nan 8.380 nan 0.000 0.544 425 S N -3.484 112.225 115.700 0.015 0.000 3.533 425 S HA -0.331 4.140 4.470 0.002 0.000 0.347 425 S C -0.158 174.441 174.600 -0.003 0.000 1.101 425 S CA 1.574 59.780 58.200 0.010 0.000 1.009 425 S CB -1.569 61.642 63.200 0.019 0.000 0.916 425 S HN 0.605 nan 8.310 nan 0.000 0.496 426 E N 1.186 121.373 120.200 -0.020 0.000 2.207 426 E HA 0.530 4.881 4.350 0.002 0.000 0.270 426 E C 0.498 177.059 176.600 -0.065 0.000 0.927 426 E CA -0.805 55.572 56.400 -0.039 0.000 0.799 426 E CB 0.946 30.614 29.700 -0.054 0.000 1.172 426 E HN 0.450 nan 8.360 nan 0.000 0.404 427 N N 1.389 120.033 118.700 -0.094 0.000 2.738 427 N HA -0.193 4.548 4.740 0.002 0.000 0.249 427 N C 0.607 176.013 175.510 -0.174 0.000 1.047 427 N CA 0.109 53.066 53.050 -0.155 0.000 0.707 427 N CB -0.502 37.899 38.487 -0.143 0.000 0.937 427 N HN 0.782 nan 8.380 nan 0.000 0.545 428 G N -0.242 108.446 108.800 -0.187 0.000 2.679 428 G HA2 -0.133 3.828 3.960 0.002 0.000 0.212 428 G HA3 -0.133 3.828 3.960 0.002 0.000 0.212 428 G C 1.160 175.697 174.900 -0.604 0.000 1.137 428 G CA 0.398 45.374 45.100 -0.207 0.000 0.787 428 G HN 0.466 nan 8.290 nan 0.000 0.534 429 R N -0.173 119.809 120.500 -0.864 0.000 2.662 429 R HA 0.184 4.525 4.340 0.002 0.000 0.396 429 R C 1.687 177.147 176.300 -1.399 0.000 1.096 429 R CA 0.102 55.198 56.100 -1.674 0.000 1.081 429 R CB 0.863 30.513 30.300 -1.084 0.000 1.382 429 R HN 0.163 nan 8.270 nan 0.000 0.580 430 G N -0.072 108.058 108.800 -1.117 0.000 3.181 430 G HA2 -0.093 3.868 3.960 0.002 0.000 0.219 430 G HA3 -0.093 3.868 3.960 0.002 0.000 0.219 430 G C 0.748 174.923 174.900 -1.208 0.000 1.182 430 G CA -0.344 44.261 45.100 -0.826 0.000 0.791 430 G HN 0.291 nan 8.290 nan 0.000 0.537 431 W N 0.723 121.206 121.300 -1.361 0.000 2.269 431 W HA -0.221 4.440 4.660 0.002 0.000 0.336 431 W C 1.166 177.082 176.519 -1.005 0.000 1.333 431 W CA 1.018 57.475 57.345 -1.479 0.000 1.299 431 W CB -1.091 27.649 29.460 -1.200 0.000 1.126 431 W HN 0.381 nan 8.180 nan 0.000 0.474 432 Y N -0.189 120.086 120.300 -0.041 0.000 2.571 432 Y HA 0.151 4.702 4.550 0.002 0.000 0.275 432 Y C 2.094 178.049 175.900 0.092 0.000 1.179 432 Y CA 0.352 58.489 58.100 0.063 0.000 1.242 432 Y CB -0.856 37.682 38.460 0.130 0.000 1.126 432 Y HN -0.203 nan 8.280 nan 0.000 0.524 433 T N -0.751 113.876 114.554 0.121 0.000 2.897 433 T HA -0.103 4.248 4.350 0.002 0.000 0.271 433 T C 1.649 176.506 174.700 0.261 0.000 1.084 433 T CA 1.691 63.911 62.100 0.200 0.000 1.123 433 T CB -0.236 68.645 68.868 0.022 0.000 0.865 433 T HN 0.542 nan 8.240 nan 0.000 0.496 434 G N -0.085 108.844 108.800 0.215 0.000 4.885 434 G HA2 0.540 4.501 3.960 0.002 0.000 0.263 434 G HA3 0.540 4.501 3.960 0.002 0.000 0.263 434 G C 0.037 175.130 174.900 0.323 0.000 1.168 434 G CA -0.013 45.229 45.100 0.236 0.000 0.906 434 G HN 0.372 nan 8.290 nan 0.000 0.575 435 A N 0.187 123.237 122.820 0.384 0.000 3.201 435 A HA 0.641 4.962 4.320 0.002 0.000 0.312 435 A C 1.296 179.165 177.584 0.476 0.000 1.011 435 A CA 0.205 52.579 52.037 0.562 0.000 0.987 435 A CB -0.394 19.022 19.000 0.693 0.000 1.060 435 A HN 1.712 nan 8.150 nan 0.000 0.505 436 G N -0.518 108.505 108.800 0.371 0.000 2.171 436 G HA2 0.173 4.134 3.960 0.002 0.000 0.238 436 G HA3 0.173 4.134 3.960 0.002 0.000 0.238 436 G C 0.349 175.398 174.900 0.247 0.000 1.039 436 G CA 0.139 45.470 45.100 0.385 0.000 0.759 436 G HN 1.861 nan 8.290 nan 0.000 0.501 437 A N 0.465 123.352 122.820 0.111 0.000 2.366 437 A HA 0.815 5.136 4.320 0.002 0.000 0.272 437 A C 0.783 178.236 177.584 -0.218 0.000 1.135 437 A CA 0.758 52.772 52.037 -0.038 0.000 0.804 437 A CB 0.492 19.462 19.000 -0.051 0.000 1.064 437 A HN 1.696 nan 8.150 nan 0.000 0.499 438 T N -0.055 114.348 114.554 -0.251 0.000 2.824 438 T HA 0.638 4.989 4.350 0.002 0.000 0.280 438 T C -0.928 173.564 174.700 -0.346 0.000 0.995 438 T CA -0.297 61.693 62.100 -0.184 0.000 1.009 438 T CB 0.566 69.455 68.868 0.035 0.000 0.955 438 T HN 0.380 nan 8.240 nan 0.000 0.452 439 Y N 1.961 122.277 120.300 0.027 0.000 2.326 439 Y HA 0.567 5.118 4.550 0.002 0.000 0.331 439 Y C -0.425 175.432 175.900 -0.072 0.000 0.962 439 Y CA -1.293 56.770 58.100 -0.062 0.000 1.167 439 Y CB 1.674 40.032 38.460 -0.170 0.000 1.148 439 Y HN 0.604 nan 8.280 nan 0.000 0.463 440 L N 4.901 126.133 121.223 0.015 0.000 2.282 440 L HA 0.499 4.840 4.340 0.002 0.000 0.288 440 L C -1.603 175.124 176.870 -0.238 0.000 1.033 440 L CA -0.707 54.114 54.840 -0.030 0.000 0.807 440 L CB 0.191 42.241 42.059 -0.016 0.000 1.209 440 L HN 0.454 nan 8.230 nan 0.000 0.423 441 Y N 5.122 125.420 120.300 -0.003 0.000 2.328 441 Y HA 0.479 5.030 4.550 0.002 0.000 0.337 441 Y C 0.431 176.160 175.900 -0.284 0.000 0.966 441 Y CA -0.504 57.479 58.100 -0.195 0.000 1.136 441 Y CB 1.071 39.209 38.460 -0.536 0.000 1.170 441 Y HN 0.744 nan 8.280 nan 0.000 0.470 442 N N 0.310 119.063 118.700 0.089 0.000 3.513 442 N HA 0.169 4.910 4.740 0.002 0.000 0.351 442 N C 0.386 176.100 175.510 0.340 0.000 1.624 442 N CA -0.740 52.440 53.050 0.217 0.000 0.712 442 N CB 0.699 39.263 38.487 0.128 0.000 2.106 442 N HN 0.351 nan 8.380 nan 0.000 0.649 443 Q N 0.527 120.477 119.800 0.250 0.000 2.291 443 Q HA -0.086 4.255 4.340 0.002 0.000 0.206 443 Q C -0.426 175.666 176.000 0.153 0.000 0.976 443 Q CA 1.294 57.222 55.803 0.208 0.000 0.875 443 Q CB -0.713 28.115 28.738 0.151 0.000 0.927 443 Q HN 0.577 nan 8.270 nan 0.000 0.450 444 D N -0.156 120.304 120.400 0.101 0.000 2.498 444 D HA -0.021 4.620 4.640 0.002 0.000 0.229 444 D C 0.546 176.863 176.300 0.027 0.000 1.188 444 D CA 0.034 54.051 54.000 0.028 0.000 1.028 444 D CB -0.213 40.564 40.800 -0.039 0.000 1.087 444 D HN 0.307 nan 8.370 nan 0.000 0.510 445 L N 1.661 122.922 121.223 0.065 0.000 2.456 445 L HA -0.049 4.292 4.340 0.002 0.000 0.224 445 L C 2.012 178.755 176.870 -0.213 0.000 1.148 445 L CA 0.819 55.715 54.840 0.093 0.000 0.825 445 L CB -0.334 41.796 42.059 0.118 0.000 0.937 445 L HN 0.353 nan 8.230 nan 0.000 0.450 446 A N -0.763 121.816 122.820 -0.401 0.000 2.238 446 A HA -0.063 4.258 4.320 0.002 0.000 0.210 446 A C 2.086 179.468 177.584 -0.335 0.000 1.179 446 A CA 0.261 51.925 52.037 -0.622 0.000 0.827 446 A CB -0.026 18.706 19.000 -0.447 0.000 0.856 446 A HN 0.307 nan 8.150 nan 0.000 0.488 447 Q N 0.129 119.732 119.800 -0.330 0.000 2.124 447 Q HA -0.258 4.083 4.340 0.002 0.000 0.215 447 Q C 0.858 176.421 176.000 -0.728 0.000 1.015 447 Q CA 2.613 58.094 55.803 -0.537 0.000 0.890 447 Q CB -0.672 27.602 28.738 -0.773 0.000 0.966 447 Q HN 0.716 nan 8.270 nan 0.000 0.412 448 Y N -0.436 119.641 120.300 -0.373 0.000 2.466 448 Y HA 0.395 4.945 4.550 0.002 0.000 0.272 448 Y C 0.884 176.696 175.900 -0.147 0.000 1.169 448 Y CA -0.008 57.769 58.100 -0.539 0.000 1.285 448 Y CB 0.430 38.648 38.460 -0.403 0.000 1.078 448 Y HN -0.046 nan 8.280 nan 0.000 0.523 449 S N -0.841 114.875 115.700 0.025 0.000 2.667 449 S HA 0.215 4.686 4.470 0.002 0.000 0.292 449 S C 0.027 174.741 174.600 0.190 0.000 1.108 449 S CA -0.764 57.533 58.200 0.163 0.000 0.992 449 S CB 0.582 63.822 63.200 0.066 0.000 1.269 449 S HN 0.289 nan 8.310 nan 0.000 0.528 450 E N 1.559 121.929 120.200 0.283 0.000 2.252 450 E HA -0.186 4.165 4.350 0.002 0.000 0.218 450 E C -1.150 175.606 176.600 0.260 0.000 1.253 450 E CA 0.499 57.058 56.400 0.265 0.000 0.705 450 E CB -1.684 28.122 29.700 0.177 0.000 1.172 450 E HN 0.606 nan 8.360 nan 0.000 0.369 451 D N -2.430 118.222 120.400 0.420 0.000 2.772 451 D HA -0.278 4.363 4.640 0.002 0.000 0.233 451 D C 0.368 176.700 176.300 0.053 0.000 1.143 451 D CA 1.372 55.557 54.000 0.308 0.000 0.700 451 D CB -1.504 39.441 40.800 0.242 0.000 1.076 451 D HN 0.631 nan 8.370 nan 0.000 0.430 452 Y N -0.454 119.823 120.300 -0.039 0.000 2.089 452 Y HA -0.211 4.340 4.550 0.002 0.000 0.282 452 Y C 2.240 177.973 175.900 -0.278 0.000 1.139 452 Y CA 2.188 60.181 58.100 -0.178 0.000 1.123 452 Y CB -0.526 37.725 38.460 -0.348 0.000 0.980 452 Y HN 0.180 nan 8.280 nan 0.000 0.493 453 W N 1.254 122.615 121.300 0.101 0.000 2.321 453 W HA -0.191 4.470 4.660 0.002 0.000 0.306 453 W C -0.420 175.831 176.519 -0.448 0.000 1.217 453 W CA 1.329 58.588 57.345 -0.143 0.000 1.257 453 W CB -1.572 27.876 29.460 -0.019 0.000 1.145 453 W HN 0.238 nan 8.180 nan 0.000 0.509 454 P HA 0.040 nan 4.420 nan 0.000 0.249 454 P C 0.916 178.012 177.300 -0.340 0.000 1.229 454 P CA 1.666 64.453 63.100 -0.523 0.000 0.788 454 P CB 0.218 31.352 31.700 -0.945 0.000 1.072 455 T N -4.309 110.060 114.554 -0.308 0.000 2.978 455 T HA 0.123 4.474 4.350 0.002 0.000 0.248 455 T C 0.784 175.263 174.700 -0.367 0.000 1.018 455 T CA -0.096 61.882 62.100 -0.204 0.000 1.026 455 T CB -0.692 68.162 68.868 -0.023 0.000 1.032 455 T HN -0.105 nan 8.240 nan 0.000 0.485 456 V N 3.442 122.977 119.914 -0.632 0.000 2.740 456 V HA 0.229 4.350 4.120 0.002 0.000 0.303 456 V C -0.084 175.649 176.094 -0.602 0.000 1.054 456 V CA -0.389 61.291 62.300 -1.033 0.000 1.106 456 V CB 0.638 31.706 31.823 -1.257 0.000 0.957 456 V HN 0.481 nan 8.190 nan 0.000 0.486 457 D N 5.544 125.607 120.400 -0.561 0.000 2.346 457 D HA 0.175 4.816 4.640 0.002 0.000 0.267 457 D C 0.995 177.196 176.300 -0.165 0.000 1.320 457 D CA 0.637 54.476 54.000 -0.268 0.000 0.951 457 D CB 1.094 41.761 40.800 -0.221 0.000 1.079 457 D HN 0.726 nan 8.370 nan 0.000 0.509 458 A N 3.986 126.722 122.820 -0.141 0.000 2.131 458 A HA -0.209 4.112 4.320 0.002 0.000 0.220 458 A C 1.281 178.918 177.584 0.088 0.000 1.158 458 A CA 0.996 52.974 52.037 -0.099 0.000 0.665 458 A CB -0.603 18.199 19.000 -0.329 0.000 0.795 458 A HN 0.688 nan 8.150 nan 0.000 0.460 459 Y N -0.732 119.693 120.300 0.208 0.000 2.523 459 Y HA 0.140 4.691 4.550 0.002 0.000 0.279 459 Y C 1.125 177.015 175.900 -0.017 0.000 1.139 459 Y CA 0.504 58.716 58.100 0.186 0.000 1.296 459 Y CB 0.271 38.742 38.460 0.017 0.000 1.045 459 Y HN 0.168 nan 8.280 nan 0.000 0.538 460 R N 0.803 121.332 120.500 0.048 0.000 2.651 460 R HA 0.268 4.609 4.340 0.002 0.000 0.282 460 R C -1.162 175.119 176.300 -0.031 0.000 1.565 460 R CA -0.301 55.751 56.100 -0.081 0.000 1.661 460 R CB 0.525 30.698 30.300 -0.212 0.000 1.189 460 R HN -0.012 nan 8.270 nan 0.000 0.621 461 I N 3.830 124.425 120.570 0.042 0.000 2.416 461 I HA 0.165 4.336 4.170 0.002 0.000 0.288 461 I C -1.761 174.379 176.117 0.039 0.000 1.051 461 I CA -2.888 58.458 61.300 0.077 0.000 1.375 461 I CB 0.486 38.589 38.000 0.172 0.000 1.407 461 I HN 0.035 nan 8.210 nan 0.000 0.516 462 P HA -0.011 nan 4.420 nan 0.000 0.263 462 P C 0.881 178.228 177.300 0.078 0.000 1.175 462 P CA 0.868 63.993 63.100 0.041 0.000 0.761 462 P CB 0.620 32.344 31.700 0.041 0.000 0.794 463 G N 1.609 110.518 108.800 0.182 0.000 2.253 463 G HA2 -0.231 3.730 3.960 0.002 0.000 0.251 463 G HA3 -0.231 3.730 3.960 0.002 0.000 0.251 463 G C 0.355 175.461 174.900 0.343 0.000 0.998 463 G CA 0.480 45.790 45.100 0.350 0.000 0.621 463 G HN 0.903 nan 8.290 nan 0.000 0.524 464 T N -1.106 113.572 114.554 0.206 0.000 2.874 464 T HA 0.632 4.983 4.350 0.002 0.000 0.281 464 T C -0.104 174.662 174.700 0.109 0.000 0.994 464 T CA 0.513 62.727 62.100 0.190 0.000 1.015 464 T CB 2.165 71.105 68.868 0.120 0.000 1.028 464 T HN 0.382 nan 8.240 nan 0.000 0.523 465 T N 1.786 116.429 114.554 0.147 0.000 2.809 465 T HA 0.647 4.998 4.350 0.002 0.000 0.284 465 T C -0.254 174.546 174.700 0.167 0.000 0.992 465 T CA -0.562 61.626 62.100 0.148 0.000 0.957 465 T CB 0.919 69.900 68.868 0.188 0.000 0.942 465 T HN 1.045 nan 8.240 nan 0.000 0.439 466 V N 0.098 120.065 119.914 0.088 0.000 3.202 466 V HA 1.012 5.133 4.120 0.002 0.000 0.306 466 V C -0.792 175.360 176.094 0.097 0.000 1.283 466 V CA -1.651 60.712 62.300 0.104 0.000 1.065 466 V CB 1.442 33.019 31.823 -0.411 0.000 1.079 466 V HN 0.947 nan 8.190 nan 0.000 0.448 467 A N 0.553 123.427 122.820 0.089 0.000 2.320 467 A HA 0.591 4.912 4.320 0.002 0.000 0.287 467 A C 0.856 178.306 177.584 -0.223 0.000 1.181 467 A CA 0.413 52.358 52.037 -0.153 0.000 0.831 467 A CB 0.756 19.389 19.000 -0.613 0.000 1.102 467 A HN 1.688 nan 8.150 nan 0.000 0.513 468 S N 2.033 117.604 115.700 -0.215 0.000 3.425 468 S HA 0.231 4.702 4.470 0.002 0.000 0.232 468 S C 0.454 174.824 174.600 -0.382 0.000 1.035 468 S CA 1.217 59.250 58.200 -0.278 0.000 1.188 468 S CB -1.594 61.463 63.200 -0.239 0.000 1.242 468 S HN 2.277 nan 8.310 nan 0.000 0.463 469 T N 0.358 114.580 114.554 -0.553 0.000 2.984 469 T HA 0.007 4.358 4.350 0.002 0.000 0.389 469 T C -3.472 171.153 174.700 -0.126 0.000 1.618 469 T CA -0.926 60.949 62.100 -0.375 0.000 0.949 469 T CB -0.451 68.156 68.868 -0.434 0.000 1.818 469 T HN 0.198 nan 8.240 nan 0.000 0.482 470 P HA 0.806 nan 4.420 nan 0.000 0.287 470 P C -0.244 176.871 177.300 -0.310 0.000 1.296 470 P CA -0.882 61.793 63.100 -0.708 0.000 0.811 470 P CB 0.798 31.491 31.700 -1.678 0.000 1.211 471 I N -3.762 116.533 120.570 -0.458 0.000 3.108 471 I HA 0.837 5.008 4.170 0.002 0.000 0.312 471 I C -0.328 175.771 176.117 -0.030 0.000 1.095 471 I CA -1.529 59.636 61.300 -0.226 0.000 1.000 471 I CB 1.736 39.491 38.000 -0.408 0.000 1.229 471 I HN 0.295 nan 8.210 nan 0.000 0.454 475 G N 2.164 110.933 108.800 -0.050 0.000 2.337 475 G HA2 0.435 4.396 3.960 0.002 0.000 0.298 475 G HA3 0.435 4.396 3.960 0.002 0.000 0.298 475 G C -0.544 174.380 174.900 0.039 0.000 1.335 475 G CA 0.105 45.204 45.100 -0.002 0.000 0.875 475 G HN 1.498 nan 8.290 nan 0.000 0.579 476 T N -0.974 113.621 114.554 0.068 0.000 2.904 476 T HA 0.663 5.014 4.350 0.002 0.000 0.290 476 T C 1.175 176.042 174.700 0.278 0.000 1.018 476 T CA 0.576 62.779 62.100 0.171 0.000 1.075 476 T CB 1.475 70.379 68.868 0.060 0.000 0.986 476 T HN 1.644 nan 8.240 nan 0.000 0.523 477 G N 0.184 109.183 108.800 0.331 0.000 2.508 477 G HA2 0.433 4.394 3.960 0.002 0.000 0.278 477 G HA3 0.433 4.394 3.960 0.002 0.000 0.278 477 G C 0.933 175.873 174.900 0.067 0.000 1.389 477 G CA -0.087 45.123 45.100 0.184 0.000 1.050 477 G HN 0.967 nan 8.290 nan 0.000 0.522 478 T N -3.338 111.229 114.554 0.022 0.000 3.001 478 T HA 0.290 4.641 4.350 0.002 0.000 0.251 478 T C 1.044 175.753 174.700 0.016 0.000 1.040 478 T CA 0.452 62.566 62.100 0.024 0.000 0.985 478 T CB 0.290 69.173 68.868 0.025 0.000 1.011 478 T HN 0.398 nan 8.240 nan 0.000 0.509 479 S N 0.727 116.422 115.700 -0.008 0.000 2.525 479 S HA 0.514 4.985 4.470 0.002 0.000 0.290 479 S C 1.132 175.777 174.600 0.075 0.000 1.152 479 S CA -0.505 57.720 58.200 0.042 0.000 1.072 479 S CB 1.613 64.838 63.200 0.042 0.000 1.027 479 S HN 0.275 nan 8.310 nan 0.000 0.500 480 S N 3.677 119.451 115.700 0.123 0.000 2.478 480 S HA 0.055 4.526 4.470 0.002 0.000 0.222 480 S C 0.373 175.088 174.600 0.191 0.000 1.008 480 S CA -0.286 57.982 58.200 0.113 0.000 0.928 480 S CB -0.187 63.060 63.200 0.078 0.000 0.781 480 S HN 0.803 nan 8.310 nan 0.000 0.518 481 W N 2.849 124.198 121.300 0.081 0.000 2.160 481 W HA 0.308 4.969 4.660 0.002 0.000 0.464 481 W C -0.883 175.731 176.519 0.158 0.000 0.914 481 W CA -0.115 57.311 57.345 0.135 0.000 1.742 481 W CB -0.206 29.403 29.460 0.249 0.000 1.780 481 W HN 0.067 nan 8.180 nan 0.000 0.307 482 T N 3.066 117.952 114.554 0.553 0.000 3.143 482 T HA 0.602 4.953 4.350 0.002 0.000 0.312 482 T C 0.003 174.863 174.700 0.268 0.000 0.986 482 T CA -0.053 62.330 62.100 0.471 0.000 1.024 482 T CB 1.197 70.211 68.868 0.243 0.000 1.030 482 T HN 0.566 nan 8.240 nan 0.000 0.448 483 G N 1.567 110.562 108.800 0.326 0.000 2.398 483 G HA2 0.622 4.583 3.960 0.002 0.000 0.251 483 G HA3 0.622 4.583 3.960 0.002 0.000 0.251 483 G C -0.601 174.421 174.900 0.204 0.000 1.277 483 G CA 0.234 45.423 45.100 0.148 0.000 0.927 483 G HN 1.137 nan 8.290 nan 0.000 0.477 484 G N -2.238 106.622 108.800 0.100 0.000 2.342 484 G HA2 0.652 4.613 3.960 0.002 0.000 0.297 484 G HA3 0.652 4.613 3.960 0.002 0.000 0.297 484 G C -1.847 173.125 174.900 0.120 0.000 1.313 484 G CA 0.526 45.715 45.100 0.149 0.000 0.830 484 G HN 1.810 nan 8.290 nan 0.000 0.506 485 V N -0.403 119.605 119.914 0.157 0.000 2.769 485 V HA 0.856 4.977 4.120 0.002 0.000 0.312 485 V C -0.331 175.904 176.094 0.235 0.000 1.061 485 V CA -0.183 62.217 62.300 0.166 0.000 0.931 485 V CB 1.990 33.904 31.823 0.152 0.000 1.010 485 V HN 1.377 nan 8.190 nan 0.000 0.433 486 S N 5.370 121.219 115.700 0.248 0.000 2.478 486 S HA 0.569 5.040 4.470 0.002 0.000 0.312 486 S C -1.025 173.717 174.600 0.237 0.000 1.094 486 S CA -0.588 57.803 58.200 0.318 0.000 1.081 486 S CB 1.289 64.676 63.200 0.312 0.000 1.007 486 S HN 0.838 nan 8.310 nan 0.000 0.475 487 L N 6.049 127.416 121.223 0.241 0.000 2.315 487 L HA 0.653 4.994 4.340 0.002 0.000 0.278 487 L C 0.771 177.787 176.870 0.243 0.000 1.088 487 L CA 0.768 55.777 54.840 0.281 0.000 0.899 487 L CB -0.344 41.907 42.059 0.321 0.000 1.277 487 L HN 1.113 nan 8.230 nan 0.000 0.431 488 A N 3.638 126.563 122.820 0.177 0.000 2.745 488 A HA -0.048 4.273 4.320 0.002 0.000 0.296 488 A C 1.583 179.193 177.584 0.043 0.000 1.500 488 A CA 1.099 53.164 52.037 0.046 0.000 0.766 488 A CB -2.250 16.754 19.000 0.008 0.000 1.030 488 A HN 2.275 nan 8.150 nan 0.000 0.489 489 G N -1.976 106.874 108.800 0.083 0.000 2.244 489 G HA2 -0.401 3.560 3.960 0.002 0.000 0.274 489 G HA3 -0.401 3.560 3.960 0.002 0.000 0.274 489 G C 0.646 175.571 174.900 0.042 0.000 1.002 489 G CA 1.586 46.730 45.100 0.073 0.000 0.740 489 G HN 1.050 nan 8.290 nan 0.000 0.516 490 Q N -2.163 117.636 119.800 -0.001 0.000 2.481 490 Q HA 0.295 4.636 4.340 0.002 0.000 0.219 490 Q C 0.398 176.121 176.000 -0.463 0.000 0.920 490 Q CA 0.719 56.353 55.803 -0.283 0.000 0.915 490 Q CB 0.644 29.145 28.738 -0.395 0.000 1.057 490 Q HN 0.644 nan 8.270 nan 0.000 0.581 491 Y N -1.318 119.053 120.300 0.119 0.000 2.634 491 Y HA 0.707 5.258 4.550 0.002 0.000 0.340 491 Y C 0.283 175.984 175.900 -0.332 0.000 1.058 491 Y CA -1.004 57.089 58.100 -0.013 0.000 1.081 491 Y CB 2.196 40.725 38.460 0.116 0.000 1.295 491 Y HN -0.000 nan 8.280 nan 0.000 0.487 492 G N -0.404 108.022 108.800 -0.624 0.000 2.548 492 G HA2 0.722 4.683 3.960 0.002 0.000 0.301 492 G HA3 0.722 4.683 3.960 0.002 0.000 0.301 492 G C -2.184 172.347 174.900 -0.614 0.000 1.349 492 G CA -0.411 44.058 45.100 -1.050 0.000 0.792 492 G HN 0.919 nan 8.290 nan 0.000 0.481 493 A N -0.638 121.987 122.820 -0.326 0.000 2.547 493 A HA 0.895 5.216 4.320 0.002 0.000 0.297 493 A C -0.566 176.994 177.584 -0.038 0.000 1.056 493 A CA -0.257 51.626 52.037 -0.257 0.000 0.688 493 A CB 1.598 20.442 19.000 -0.262 0.000 1.282 493 A HN 1.364 nan 8.150 nan 0.000 0.400 494 S N -0.696 115.003 115.700 -0.000 0.000 2.632 494 S HA 0.951 5.422 4.470 0.002 0.000 0.289 494 S C -0.083 174.706 174.600 0.316 0.000 1.115 494 S CA -0.116 58.226 58.200 0.236 0.000 0.889 494 S CB 2.144 65.520 63.200 0.293 0.000 1.116 494 S HN 1.813 nan 8.310 nan 0.000 0.486 495 G N 0.695 109.783 108.800 0.479 0.000 2.718 495 G HA2 0.653 4.614 3.960 0.002 0.000 0.295 495 G HA3 0.653 4.614 3.960 0.002 0.000 0.295 495 G C -1.742 173.500 174.900 0.569 0.000 1.421 495 G CA -0.523 44.828 45.100 0.417 0.000 0.902 495 G HN 0.592 nan 8.290 nan 0.000 0.501 496 M N 1.952 121.850 119.600 0.497 0.000 2.224 496 M HA 0.353 4.834 4.480 0.002 0.000 0.281 496 M C -1.943 174.392 176.300 0.057 0.000 1.025 496 M CA -0.714 54.802 55.300 0.360 0.000 0.954 496 M CB 2.155 34.983 32.600 0.380 0.000 1.639 496 M HN 0.505 nan 8.290 nan 0.000 0.461 497 D N 4.833 125.262 120.400 0.049 0.000 2.365 497 D HA 0.310 4.951 4.640 0.002 0.000 0.237 497 D C -1.232 174.940 176.300 -0.214 0.000 1.190 497 D CA 0.043 53.896 54.000 -0.246 0.000 0.867 497 D CB 0.686 41.468 40.800 -0.030 0.000 1.050 497 D HN 0.667 nan 8.370 nan 0.000 0.491 498 L N 3.378 124.418 121.223 -0.304 0.000 2.312 498 L HA 0.512 4.853 4.340 0.002 0.000 0.281 498 L C -0.595 176.074 176.870 -0.334 0.000 1.070 498 L CA -0.287 54.361 54.840 -0.320 0.000 0.805 498 L CB 1.068 42.926 42.059 -0.335 0.000 1.174 498 L HN 0.394 nan 8.230 nan 0.000 0.434 499 S N 3.304 118.804 115.700 -0.335 0.000 2.382 499 S HA 0.317 4.788 4.470 0.002 0.000 0.228 499 S C -1.048 173.477 174.600 -0.124 0.000 0.996 499 S CA -0.621 57.444 58.200 -0.226 0.000 1.094 499 S CB 0.037 63.161 63.200 -0.126 0.000 1.209 499 S HN 0.459 nan 8.310 nan 0.000 0.420 500 Y N 1.819 122.085 120.300 -0.057 0.000 2.357 500 Y HA 0.428 4.979 4.550 0.002 0.000 0.340 500 Y C 1.742 177.579 175.900 -0.105 0.000 1.260 500 Y CA 0.693 58.736 58.100 -0.094 0.000 1.425 500 Y CB 0.580 38.802 38.460 -0.396 0.000 1.326 500 Y HN 0.654 nan 8.280 nan 0.000 0.580 501 G N 0.214 109.096 108.800 0.137 0.000 2.576 501 G HA2 0.060 4.021 3.960 0.002 0.000 0.210 501 G HA3 0.060 4.021 3.960 0.002 0.000 0.210 501 G C 1.570 176.491 174.900 0.036 0.000 1.143 501 G CA 0.513 45.659 45.100 0.076 0.000 0.819 501 G HN 0.742 nan 8.290 nan 0.000 0.534 502 A N -0.310 122.507 122.820 -0.006 0.000 2.070 502 A HA 0.338 4.659 4.320 0.002 0.000 0.220 502 A C 0.677 178.358 177.584 0.161 0.000 1.159 502 A CA 1.344 53.412 52.037 0.051 0.000 0.656 502 A CB -0.532 18.505 19.000 0.062 0.000 0.800 502 A HN 0.968 nan 8.150 nan 0.000 0.453 503 Y N -4.303 116.061 120.300 0.107 0.000 2.620 503 Y HA 0.551 5.102 4.550 0.002 0.000 0.331 503 Y C -0.965 175.019 175.900 0.139 0.000 1.173 503 Y CA -2.087 56.069 58.100 0.093 0.000 1.076 503 Y CB -0.077 38.419 38.460 0.060 0.000 1.336 503 Y HN -0.024 nan 8.280 nan 0.000 0.459 504 N N 1.775 120.639 118.700 0.274 0.000 2.452 504 N HA 0.459 5.200 4.740 0.002 0.000 0.266 504 N C -1.494 174.158 175.510 0.237 0.000 1.175 504 N CA 0.167 53.322 53.050 0.176 0.000 0.945 504 N CB 0.552 39.112 38.487 0.121 0.000 1.063 504 N HN 0.874 nan 8.380 nan 0.000 0.472 505 L N 2.494 123.788 121.223 0.119 0.000 2.902 505 L HA 0.384 4.725 4.340 0.002 0.000 0.261 505 L C -1.506 175.321 176.870 -0.072 0.000 0.928 505 L CA -0.151 54.747 54.840 0.096 0.000 1.024 505 L CB 0.979 43.212 42.059 0.290 0.000 1.629 505 L HN 0.644 nan 8.230 nan 0.000 0.478 506 S N 3.153 118.790 115.700 -0.104 0.000 2.569 506 S HA 1.091 5.562 4.470 0.002 0.000 0.280 506 S C -0.680 173.791 174.600 -0.216 0.000 1.111 506 S CA -0.097 57.991 58.200 -0.187 0.000 0.887 506 S CB 2.107 65.214 63.200 -0.155 0.000 1.095 506 S HN 1.928 nan 8.310 nan 0.000 0.476 507 A N 1.183 123.828 122.820 -0.292 0.000 2.597 507 A HA 0.809 5.130 4.320 0.002 0.000 0.292 507 A C -1.442 175.848 177.584 -0.490 0.000 1.057 507 A CA -0.964 50.873 52.037 -0.332 0.000 0.674 507 A CB 1.245 20.104 19.000 -0.235 0.000 1.278 507 A HN 0.774 nan 8.150 nan 0.000 0.416 508 R N 0.653 120.778 120.500 -0.626 0.000 2.265 508 R HA 0.566 4.907 4.340 0.002 0.000 0.328 508 R C -0.931 174.963 176.300 -0.678 0.000 0.969 508 R CA -0.036 55.457 56.100 -1.012 0.000 0.832 508 R CB 1.318 30.789 30.300 -1.382 0.000 1.139 508 R HN 0.625 nan 8.270 nan 0.000 0.457 509 K N 1.454 121.530 120.400 -0.540 0.000 2.292 509 K HA 0.560 4.881 4.320 0.002 0.000 0.257 509 K C -0.886 175.439 176.600 -0.459 0.000 0.940 509 K CA -0.604 55.393 56.287 -0.483 0.000 0.811 509 K CB 2.327 34.601 32.500 -0.376 0.000 1.120 509 K HN 0.419 nan 8.250 nan 0.000 0.428 510 S N 1.221 116.525 115.700 -0.660 0.000 2.595 510 S HA 0.576 5.047 4.470 0.002 0.000 0.281 510 S C -1.537 172.625 174.600 -0.730 0.000 1.117 510 S CA -0.912 57.005 58.200 -0.472 0.000 0.873 510 S CB 1.259 64.366 63.200 -0.155 0.000 1.108 510 S HN 0.446 nan 8.310 nan 0.000 0.477 511 W N 1.393 122.500 121.300 -0.322 0.000 3.097 511 W HA 0.478 5.139 4.660 0.002 0.000 0.335 511 W C -2.088 174.088 176.519 -0.571 0.000 1.114 511 W CA -0.696 56.510 57.345 -0.231 0.000 1.231 511 W CB 1.319 30.738 29.460 -0.068 0.000 1.388 511 W HN 0.519 nan 8.180 nan 0.000 0.485 512 F N 4.133 124.081 119.950 -0.003 0.000 2.460 512 F HA 0.407 4.935 4.527 0.002 0.000 0.341 512 F C 0.354 175.835 175.800 -0.531 0.000 1.130 512 F CA -1.003 56.800 58.000 -0.329 0.000 0.962 512 F CB 1.350 40.077 39.000 -0.455 0.000 1.171 512 F HN -0.103 nan 8.300 nan 0.000 0.436 513 M N 4.582 123.975 119.600 -0.344 0.000 2.129 513 M HA 0.474 4.955 4.480 0.002 0.000 0.348 513 M C -1.060 175.141 176.300 -0.164 0.000 1.116 513 M CA -0.248 54.947 55.300 -0.174 0.000 1.022 513 M CB 0.244 32.870 32.600 0.044 0.000 1.599 513 M HN 0.517 nan 8.290 nan 0.000 0.449 514 F N 1.328 121.457 119.950 0.298 0.000 2.873 514 F HA 0.307 4.835 4.527 0.002 0.000 0.308 514 F C 1.832 177.897 175.800 0.442 0.000 1.354 514 F CA -0.734 57.473 58.000 0.346 0.000 1.037 514 F CB 0.395 39.504 39.000 0.182 0.000 1.860 514 F HN 0.577 nan 8.300 nan 0.000 0.479 515 D N -0.162 120.625 120.400 0.645 0.000 2.110 515 D HA -0.142 4.499 4.640 0.002 0.000 0.202 515 D C 0.702 177.251 176.300 0.415 0.000 0.975 515 D CA 1.684 55.971 54.000 0.479 0.000 0.839 515 D CB -0.776 40.262 40.800 0.397 0.000 0.996 515 D HN 0.597 nan 8.370 nan 0.000 0.464 516 D N -0.277 120.352 120.400 0.383 0.000 2.503 516 D HA 0.019 4.660 4.640 0.002 0.000 0.218 516 D C 0.221 176.650 176.300 0.215 0.000 1.183 516 D CA -0.165 54.046 54.000 0.352 0.000 0.827 516 D CB 0.386 41.333 40.800 0.245 0.000 1.034 516 D HN 0.451 nan 8.370 nan 0.000 0.510 517 E N 0.384 120.745 120.200 0.269 0.000 2.413 517 E HA 0.520 4.871 4.350 0.002 0.000 0.277 517 E C -1.493 175.241 176.600 0.223 0.000 0.958 517 E CA -0.947 55.545 56.400 0.154 0.000 0.779 517 E CB 1.710 31.488 29.700 0.130 0.000 1.278 517 E HN -0.065 nan 8.360 nan 0.000 0.456 518 I N 0.893 121.546 120.570 0.139 0.000 2.447 518 I HA 0.248 4.419 4.170 0.002 0.000 0.287 518 I C -0.750 175.452 176.117 0.143 0.000 1.023 518 I CA -0.777 60.610 61.300 0.146 0.000 1.083 518 I CB 2.110 40.209 38.000 0.165 0.000 1.245 518 I HN 0.342 nan 8.210 nan 0.000 0.434 519 V N 5.383 125.389 119.914 0.154 0.000 2.394 519 V HA 0.780 4.901 4.120 0.002 0.000 0.282 519 V C 0.255 176.394 176.094 0.074 0.000 1.031 519 V CA -0.617 61.762 62.300 0.132 0.000 0.881 519 V CB 1.344 33.292 31.823 0.207 0.000 0.982 519 V HN 0.800 nan 8.190 nan 0.000 0.451 520 A N 6.721 129.418 122.820 -0.205 0.000 2.287 520 A HA 0.859 5.180 4.320 0.002 0.000 0.317 520 A C -0.794 176.602 177.584 -0.314 0.000 1.220 520 A CA -0.455 51.337 52.037 -0.408 0.000 0.835 520 A CB 0.565 19.142 19.000 -0.706 0.000 1.180 520 A HN 0.797 nan 8.150 nan 0.000 0.500 521 L N 2.173 123.204 121.223 -0.319 0.000 2.342 521 L HA 0.816 5.157 4.340 0.002 0.000 0.271 521 L C 0.480 176.887 176.870 -0.772 0.000 1.008 521 L CA -0.691 53.916 54.840 -0.388 0.000 0.818 521 L CB 2.531 44.494 42.059 -0.161 0.000 1.296 521 L HN 0.806 nan 8.230 nan 0.000 0.427 522 G N 0.496 108.530 108.800 -1.276 0.000 2.638 522 G HA2 0.697 4.658 3.960 0.002 0.000 0.302 522 G HA3 0.697 4.658 3.960 0.002 0.000 0.302 522 G C -1.151 173.315 174.900 -0.722 0.000 1.365 522 G CA -0.278 44.036 45.100 -1.310 0.000 0.987 522 G HN 0.630 nan 8.290 nan 0.000 0.495 523 S N -0.540 114.857 115.700 -0.505 0.000 2.656 523 S HA 0.708 5.179 4.470 0.002 0.000 0.273 523 S C 0.712 175.103 174.600 -0.348 0.000 1.168 523 S CA 0.205 58.189 58.200 -0.360 0.000 0.817 523 S CB 1.343 64.365 63.200 -0.297 0.000 1.146 523 S HN 2.513 nan 8.310 nan 0.000 0.475 524 G N 0.379 109.019 108.800 -0.267 0.000 2.258 524 G HA2 -0.232 3.729 3.960 0.002 0.000 0.274 524 G HA3 -0.232 3.729 3.960 0.002 0.000 0.274 524 G C -0.042 174.722 174.900 -0.226 0.000 1.021 524 G CA 0.372 45.326 45.100 -0.243 0.000 0.798 524 G HN 0.972 nan 8.290 nan 0.000 0.507 525 I N 1.694 122.131 120.570 -0.222 0.000 2.471 525 I HA 0.263 4.434 4.170 0.002 0.000 0.294 525 I C 0.501 176.535 176.117 -0.138 0.000 1.123 525 I CA 0.475 61.651 61.300 -0.206 0.000 1.336 525 I CB 0.389 38.203 38.000 -0.308 0.000 1.430 525 I HN 0.099 nan 8.210 nan 0.000 0.533 526 S N 3.963 119.602 115.700 -0.102 0.000 2.570 526 S HA 0.728 5.199 4.470 0.002 0.000 0.286 526 S C -0.690 173.901 174.600 -0.015 0.000 1.099 526 S CA -0.673 57.494 58.200 -0.055 0.000 0.913 526 S CB 2.370 65.534 63.200 -0.060 0.000 1.085 526 S HN 0.608 nan 8.310 nan 0.000 0.480 527 S N 0.079 115.786 115.700 0.013 0.000 2.552 527 S HA 0.600 5.071 4.470 0.002 0.000 0.272 527 S C -0.239 174.387 174.600 0.044 0.000 1.150 527 S CA -0.098 58.133 58.200 0.052 0.000 0.849 527 S CB 1.187 64.442 63.200 0.092 0.000 1.113 527 S HN 0.900 nan 8.310 nan 0.000 0.458 528 T N 0.011 114.599 114.554 0.057 0.000 3.058 528 T HA 0.407 4.758 4.350 0.002 0.000 0.278 528 T C 1.639 176.367 174.700 0.047 0.000 0.974 528 T CA 0.586 62.711 62.100 0.041 0.000 0.893 528 T CB 0.175 69.064 68.868 0.034 0.000 1.138 528 T HN 0.826 nan 8.240 nan 0.000 0.529 529 A N 1.914 124.777 122.820 0.072 0.000 2.032 529 A HA 0.372 4.693 4.320 0.002 0.000 0.221 529 A C 2.227 179.813 177.584 0.004 0.000 1.165 529 A CA 1.320 53.392 52.037 0.058 0.000 0.645 529 A CB -1.486 17.561 19.000 0.078 0.000 0.807 529 A HN 1.684 nan 8.150 nan 0.000 0.453 530 G N -1.676 107.124 108.800 0.001 0.000 2.182 530 G HA2 -0.205 3.756 3.960 0.002 0.000 0.248 530 G HA3 -0.205 3.756 3.960 0.002 0.000 0.248 530 G C -0.078 174.796 174.900 -0.042 0.000 1.042 530 G CA 0.384 45.474 45.100 -0.016 0.000 0.775 530 G HN 0.656 nan 8.290 nan 0.000 0.501 531 I N 0.767 121.305 120.570 -0.054 0.000 2.533 531 I HA 0.347 4.518 4.170 0.002 0.000 0.290 531 I C -2.130 173.950 176.117 -0.061 0.000 1.056 531 I CA -2.727 58.518 61.300 -0.092 0.000 1.057 531 I CB 2.717 40.609 38.000 -0.181 0.000 1.240 531 I HN -0.146 nan 8.210 nan 0.000 0.423 532 P HA 0.074 nan 4.420 nan 0.000 0.261 532 P C -0.716 176.581 177.300 -0.005 0.000 1.183 532 P CA 0.091 63.183 63.100 -0.014 0.000 0.761 532 P CB 0.744 32.435 31.700 -0.016 0.000 0.785 533 I N 3.790 124.399 120.570 0.066 0.000 2.428 533 I HA 0.272 4.443 4.170 0.002 0.000 0.296 533 I C 0.934 177.162 176.117 0.185 0.000 0.985 533 I CA -0.215 61.160 61.300 0.126 0.000 1.260 533 I CB 0.944 39.047 38.000 0.173 0.000 1.389 533 I HN 0.462 nan 8.210 nan 0.000 0.484 534 E N 2.750 123.048 120.200 0.163 0.000 2.366 534 E HA 0.584 4.935 4.350 0.002 0.000 0.278 534 E C -1.469 175.207 176.600 0.127 0.000 0.923 534 E CA -0.936 55.535 56.400 0.118 0.000 0.761 534 E CB 1.593 31.298 29.700 0.008 0.000 1.231 534 E HN 0.316 nan 8.360 nan 0.000 0.443 535 T N 1.534 116.129 114.554 0.069 0.000 2.791 535 T HA 0.231 4.582 4.350 0.002 0.000 0.288 535 T C -0.886 173.802 174.700 -0.020 0.000 0.999 535 T CA -0.608 61.503 62.100 0.018 0.000 0.952 535 T CB 1.276 70.082 68.868 -0.103 0.000 0.938 535 T HN 0.393 nan 8.240 nan 0.000 0.444 536 V N 6.568 126.482 119.914 -0.000 0.000 2.389 536 V HA 0.182 4.303 4.120 0.002 0.000 0.264 536 V C 1.109 177.186 176.094 -0.028 0.000 1.049 536 V CA 0.170 62.489 62.300 0.031 0.000 0.932 536 V CB 0.307 32.133 31.823 0.004 0.000 1.011 536 V HN 0.819 nan 8.190 nan 0.000 0.475 537 V N 5.360 125.194 119.914 -0.134 0.000 2.358 537 V HA 0.057 4.178 4.120 0.002 0.000 0.246 537 V C 0.849 176.876 176.094 -0.111 0.000 1.047 537 V CA 1.852 63.943 62.300 -0.348 0.000 1.035 537 V CB -0.386 31.151 31.823 -0.476 0.000 0.658 537 V HN 0.988 nan 8.190 nan 0.000 0.452 538 D N -1.902 118.458 120.400 -0.067 0.000 2.683 538 D HA 0.279 4.920 4.640 0.002 0.000 0.246 538 D C -1.726 174.582 176.300 0.014 0.000 1.238 538 D CA -0.511 53.497 54.000 0.014 0.000 0.759 538 D CB 1.536 42.375 40.800 0.065 0.000 1.349 538 D HN 0.029 nan 8.370 nan 0.000 0.426 539 N N 1.676 120.405 118.700 0.048 0.000 2.685 539 N HA 0.213 4.954 4.740 0.002 0.000 0.252 539 N C -1.457 174.131 175.510 0.130 0.000 1.261 539 N CA -0.359 52.722 53.050 0.051 0.000 0.768 539 N CB 0.888 39.367 38.487 -0.012 0.000 1.304 539 N HN 0.209 nan 8.380 nan 0.000 0.536 540 R N 1.301 121.868 120.500 0.111 0.000 2.368 540 R HA 0.281 4.622 4.340 0.002 0.000 0.302 540 R C 0.002 176.333 176.300 0.050 0.000 1.002 540 R CA -0.571 55.575 56.100 0.076 0.000 0.929 540 R CB 1.670 31.963 30.300 -0.011 0.000 1.073 540 R HN 0.351 nan 8.270 nan 0.000 0.464 541 K N 3.905 124.265 120.400 -0.068 0.000 2.276 541 K HA 0.156 4.477 4.320 0.002 0.000 0.283 541 K C -0.226 176.191 176.600 -0.305 0.000 1.044 541 K CA -0.443 55.584 56.287 -0.434 0.000 0.944 541 K CB 0.585 32.873 32.500 -0.354 0.000 1.012 541 K HN 0.209 nan 8.250 nan 0.000 0.472 542 L N 2.276 123.299 121.223 -0.334 0.000 2.635 542 L HA 0.265 4.606 4.340 0.002 0.000 0.250 542 L C 0.712 177.473 176.870 -0.182 0.000 1.117 542 L CA -0.577 54.132 54.840 -0.219 0.000 0.834 542 L CB -0.331 41.606 42.059 -0.204 0.000 1.544 542 L HN 0.777 nan 8.230 nan 0.000 0.511 543 N N -0.676 117.950 118.700 -0.123 0.000 2.288 543 N HA 0.069 4.810 4.740 0.002 0.000 0.237 543 N C 1.042 176.501 175.510 -0.086 0.000 1.311 543 N CA 0.267 53.266 53.050 -0.084 0.000 0.909 543 N CB -0.165 38.292 38.487 -0.049 0.000 1.167 543 N HN 0.641 nan 8.380 nan 0.000 0.476 544 G N -1.612 107.155 108.800 -0.055 0.000 2.462 544 G HA2 -0.171 3.790 3.960 0.002 0.000 0.220 544 G HA3 -0.171 3.790 3.960 0.002 0.000 0.220 544 G C 1.153 176.027 174.900 -0.044 0.000 1.121 544 G CA 0.993 46.066 45.100 -0.046 0.000 0.758 544 G HN 0.805 nan 8.290 nan 0.000 0.559 545 A N -0.657 122.140 122.820 -0.040 0.000 2.095 545 A HA 0.476 4.797 4.320 0.002 0.000 0.212 545 A C 2.139 179.696 177.584 -0.045 0.000 1.162 545 A CA 1.297 53.315 52.037 -0.032 0.000 0.753 545 A CB -0.270 18.720 19.000 -0.017 0.000 0.840 545 A HN 1.551 nan 8.150 nan 0.000 0.468 546 G N 0.788 109.548 108.800 -0.068 0.000 2.143 546 G HA2 -0.301 3.660 3.960 0.002 0.000 0.248 546 G HA3 -0.301 3.660 3.960 0.002 0.000 0.248 546 G C 0.204 175.060 174.900 -0.073 0.000 0.991 546 G CA 0.838 45.884 45.100 -0.090 0.000 0.689 546 G HN 0.835 nan 8.290 nan 0.000 0.522 547 D N 0.194 120.568 120.400 -0.043 0.000 2.358 547 D HA 0.045 4.686 4.640 0.002 0.000 0.224 547 D C 0.479 176.781 176.300 0.002 0.000 1.123 547 D CA -0.533 53.460 54.000 -0.011 0.000 0.833 547 D CB -0.661 40.144 40.800 0.009 0.000 0.946 547 D HN 0.445 nan 8.370 nan 0.000 0.505 548 N N 0.981 119.659 118.700 -0.038 0.000 2.294 548 N HA 0.113 4.854 4.740 0.002 0.000 0.263 548 N C 0.107 175.651 175.510 0.056 0.000 1.281 548 N CA 0.291 53.331 53.050 -0.017 0.000 0.846 548 N CB 0.748 39.187 38.487 -0.080 0.000 1.061 548 N HN 0.280 nan 8.380 nan 0.000 0.478 549 A N 3.437 126.335 122.820 0.129 0.000 2.388 549 A HA 0.389 4.710 4.320 0.002 0.000 0.257 549 A C -0.416 177.388 177.584 0.368 0.000 1.095 549 A CA -0.298 51.886 52.037 0.245 0.000 0.791 549 A CB 0.310 19.427 19.000 0.195 0.000 1.029 549 A HN 0.783 nan 8.150 nan 0.000 0.489 550 W N 0.966 122.306 121.300 0.067 0.000 3.217 550 W HA 0.640 5.301 4.660 0.002 0.000 0.323 550 W C -1.013 175.562 176.519 0.095 0.000 1.216 550 W CA -0.516 56.881 57.345 0.085 0.000 1.194 550 W CB 0.278 29.758 29.460 0.033 0.000 1.397 550 W HN 1.052 nan 8.180 nan 0.000 0.537 551 T N -0.573 114.063 114.554 0.137 0.000 2.906 551 T HA 0.855 5.206 4.350 0.002 0.000 0.295 551 T C -1.079 173.473 174.700 -0.247 0.000 1.075 551 T CA -0.628 61.409 62.100 -0.106 0.000 1.005 551 T CB 1.984 70.890 68.868 0.063 0.000 1.136 551 T HN 1.254 nan 8.240 nan 0.000 0.498 552 A N 1.751 124.283 122.820 -0.480 0.000 2.357 552 A HA 0.715 5.036 4.320 0.002 0.000 0.295 552 A C 0.372 177.480 177.584 -0.794 0.000 1.121 552 A CA -0.885 50.791 52.037 -0.601 0.000 0.742 552 A CB -0.118 18.588 19.000 -0.490 0.000 1.181 552 A HN 1.088 nan 8.150 nan 0.000 0.454 553 N N 1.432 119.281 118.700 -1.418 0.000 2.725 553 N HA -0.261 4.480 4.740 0.002 0.000 0.249 553 N C 0.953 176.113 175.510 -0.583 0.000 1.103 553 N CA 1.249 53.628 53.050 -1.117 0.000 0.707 553 N CB -0.660 37.532 38.487 -0.491 0.000 1.043 553 N HN 2.085 nan 8.380 nan 0.000 0.553 554 G N -1.598 106.803 108.800 -0.666 0.000 2.176 554 G HA2 -0.190 3.771 3.960 0.002 0.000 0.253 554 G HA3 -0.190 3.771 3.960 0.002 0.000 0.253 554 G C 0.064 174.915 174.900 -0.083 0.000 0.979 554 G CA 0.365 45.445 45.100 -0.033 0.000 0.641 554 G HN 0.907 nan 8.290 nan 0.000 0.530 555 A N 0.203 122.897 122.820 -0.210 0.000 2.260 555 A HA 0.923 5.244 4.320 0.002 0.000 0.314 555 A C 0.685 178.153 177.584 -0.194 0.000 1.257 555 A CA 0.781 52.716 52.037 -0.171 0.000 0.871 555 A CB 0.889 19.770 19.000 -0.198 0.000 1.166 555 A HN 2.049 nan 8.150 nan 0.000 0.522 556 A N 2.840 125.589 122.820 -0.118 0.000 2.511 556 A HA 0.522 4.843 4.320 0.002 0.000 0.242 556 A C 0.009 177.471 177.584 -0.203 0.000 1.069 556 A CA 0.220 52.191 52.037 -0.111 0.000 0.763 556 A CB -0.214 18.768 19.000 -0.030 0.000 1.001 556 A HN 0.840 nan 8.150 nan 0.000 0.498 557 L N 1.756 122.781 121.223 -0.331 0.000 2.334 557 L HA 0.462 4.803 4.340 0.002 0.000 0.270 557 L C 1.008 177.830 176.870 -0.080 0.000 1.018 557 L CA -0.623 53.965 54.840 -0.420 0.000 0.811 557 L CB 1.741 43.104 42.059 -1.159 0.000 1.271 557 L HN 0.769 nan 8.230 nan 0.000 0.443 558 S N -0.260 115.453 115.700 0.023 0.000 2.563 558 S HA 0.034 4.505 4.470 0.002 0.000 0.284 558 S C 0.829 175.622 174.600 0.322 0.000 1.331 558 S CA 0.169 58.449 58.200 0.134 0.000 1.047 558 S CB 0.463 63.718 63.200 0.091 0.000 0.859 558 S HN 0.783 nan 8.310 nan 0.000 0.514 559 T N 1.514 116.197 114.554 0.215 0.000 3.129 559 T HA 0.391 4.742 4.350 0.002 0.000 0.267 559 T C 0.759 175.505 174.700 0.077 0.000 1.018 559 T CA -0.001 62.208 62.100 0.182 0.000 0.903 559 T CB -0.134 68.819 68.868 0.142 0.000 1.067 559 T HN 0.700 nan 8.240 nan 0.000 0.549 560 G N 1.414 110.259 108.800 0.075 0.000 2.527 560 G HA2 0.546 4.507 3.960 0.002 0.000 0.248 560 G HA3 0.546 4.507 3.960 0.002 0.000 0.248 560 G C -0.231 174.678 174.900 0.015 0.000 1.231 560 G CA -0.708 44.414 45.100 0.036 0.000 0.838 560 G HN 0.493 nan 8.290 nan 0.000 0.570 561 L N 0.698 121.921 121.223 -0.001 0.000 2.439 561 L HA 0.447 4.788 4.340 0.002 0.000 0.261 561 L C 1.598 178.469 176.870 0.001 0.000 1.153 561 L CA 0.703 55.536 54.840 -0.011 0.000 0.808 561 L CB 1.176 43.225 42.059 -0.017 0.000 1.126 561 L HN 0.944 nan 8.230 nan 0.000 0.460 562 G N 1.771 110.573 108.800 0.002 0.000 2.153 562 G HA2 -0.215 3.746 3.960 0.002 0.000 0.252 562 G HA3 -0.215 3.746 3.960 0.002 0.000 0.252 562 G C -0.211 174.698 174.900 0.015 0.000 0.994 562 G CA 0.047 45.153 45.100 0.009 0.000 0.698 562 G HN 0.340 nan 8.290 nan 0.000 0.521 563 V N 0.216 120.142 119.914 0.020 0.000 2.483 563 V HA 0.843 4.964 4.120 0.002 0.000 0.295 563 V C 0.463 176.577 176.094 0.034 0.000 1.035 563 V CA -0.176 62.142 62.300 0.029 0.000 0.896 563 V CB 1.828 33.678 31.823 0.045 0.000 0.986 563 V HN 1.224 nan 8.190 nan 0.000 0.447 564 A N 5.072 127.907 122.820 0.026 0.000 2.335 564 A HA 0.821 5.142 4.320 0.002 0.000 0.304 564 A C -0.593 176.986 177.584 -0.008 0.000 1.118 564 A CA -0.630 51.417 52.037 0.016 0.000 0.757 564 A CB 1.170 20.184 19.000 0.024 0.000 1.188 564 A HN 0.875 nan 8.150 nan 0.000 0.460 565 Q N 0.699 120.486 119.800 -0.022 0.000 2.421 565 Q HA 0.712 5.053 4.340 0.002 0.000 0.280 565 Q C -1.126 174.798 176.000 -0.127 0.000 1.085 565 Q CA -0.835 54.935 55.803 -0.055 0.000 0.807 565 Q CB 1.827 30.552 28.738 -0.022 0.000 1.405 565 Q HN 0.363 nan 8.270 nan 0.000 0.419 566 T N 2.485 116.950 114.554 -0.149 0.000 2.749 566 T HA 0.437 4.788 4.350 0.002 0.000 0.287 566 T C -0.375 174.204 174.700 -0.201 0.000 0.970 566 T CA -0.560 61.419 62.100 -0.202 0.000 0.980 566 T CB 0.266 69.026 68.868 -0.181 0.000 0.924 566 T HN 0.348 nan 8.240 nan 0.000 0.456 567 L N 4.625 125.702 121.223 -0.243 0.000 2.265 567 L HA 0.459 4.800 4.340 0.002 0.000 0.289 567 L C 0.812 177.529 176.870 -0.255 0.000 1.033 567 L CA -0.851 53.836 54.840 -0.255 0.000 0.814 567 L CB 0.887 42.770 42.059 -0.292 0.000 1.203 567 L HN 0.674 nan 8.230 nan 0.000 0.423 568 T N -1.347 113.080 114.554 -0.212 0.000 2.794 568 T HA 0.553 4.904 4.350 0.002 0.000 0.280 568 T C 0.821 175.417 174.700 -0.173 0.000 0.987 568 T CA -0.105 61.884 62.100 -0.186 0.000 0.993 568 T CB 1.731 70.513 68.868 -0.143 0.000 0.939 568 T HN 0.904 nan 8.240 nan 0.000 0.449 569 G N 1.907 110.608 108.800 -0.165 0.000 2.295 569 G HA2 -0.132 3.829 3.960 0.002 0.000 0.287 569 G HA3 -0.132 3.829 3.960 0.002 0.000 0.287 569 G C 0.014 174.832 174.900 -0.138 0.000 1.055 569 G CA -0.052 44.971 45.100 -0.128 0.000 0.922 569 G HN 1.787 nan 8.290 nan 0.000 0.503 570 V N -2.832 116.958 119.914 -0.205 0.000 2.567 570 V HA 0.673 4.794 4.120 0.002 0.000 0.289 570 V C 0.915 176.989 176.094 -0.033 0.000 1.049 570 V CA -0.193 61.994 62.300 -0.188 0.000 0.969 570 V CB 1.701 33.353 31.823 -0.285 0.000 0.995 570 V HN 0.166 nan 8.190 nan 0.000 0.471 571 N N 2.289 121.057 118.700 0.114 0.000 2.414 571 N HA 0.250 4.991 4.740 0.002 0.000 0.177 571 N C -0.136 175.819 175.510 0.742 0.000 1.062 571 N CA 0.363 53.651 53.050 0.396 0.000 0.890 571 N CB 0.485 39.239 38.487 0.445 0.000 1.070 571 N HN 0.925 nan 8.380 nan 0.000 0.454 572 W N -0.763 120.800 121.300 0.437 0.000 3.363 572 W HA 0.662 5.323 4.660 0.002 0.000 0.306 572 W C -2.118 174.629 176.519 0.380 0.000 1.253 572 W CA -0.791 56.838 57.345 0.473 0.000 1.195 572 W CB 0.303 29.995 29.460 0.387 0.000 1.366 572 W HN -0.450 nan 8.180 nan 0.000 0.551 573 V N 1.882 122.234 119.914 0.730 0.000 2.876 573 V HA 0.440 4.561 4.120 0.002 0.000 0.312 573 V C -1.313 175.235 176.094 0.756 0.000 1.085 573 V CA -0.594 62.026 62.300 0.533 0.000 0.945 573 V CB 2.217 34.305 31.823 0.442 0.000 1.017 573 V HN 0.680 nan 8.190 nan 0.000 0.428 574 H N 3.136 122.527 119.070 0.535 0.000 2.689 574 H HA 0.742 5.299 4.556 0.002 0.000 0.346 574 H C -1.615 173.978 175.328 0.443 0.000 1.037 574 H CA -0.527 55.806 56.048 0.474 0.000 1.234 574 H CB 1.674 31.706 29.762 0.451 0.000 1.572 574 H HN 0.545 nan 8.280 nan 0.000 0.524 575 L N 4.665 125.795 121.223 -0.156 0.000 2.333 575 L HA 0.774 5.115 4.340 0.002 0.000 0.280 575 L C -0.702 175.972 176.870 -0.327 0.000 1.004 575 L CA -0.446 54.364 54.840 -0.051 0.000 0.820 575 L CB 1.217 43.355 42.059 0.131 0.000 1.247 575 L HN 0.828 nan 8.230 nan 0.000 0.416 576 A N 3.618 126.356 122.820 -0.135 0.000 2.354 576 A HA 0.660 4.981 4.320 0.002 0.000 0.269 576 A C 0.569 178.134 177.584 -0.032 0.000 1.109 576 A CA 0.159 52.170 52.037 -0.044 0.000 0.800 576 A CB 0.105 19.160 19.000 0.092 0.000 1.045 576 A HN 0.940 nan 8.150 nan 0.000 0.489 577 G N 0.381 109.175 108.800 -0.010 0.000 2.621 577 G HA2 0.287 4.248 3.960 0.002 0.000 0.271 577 G HA3 0.287 4.248 3.960 0.002 0.000 0.271 577 G C 0.390 175.285 174.900 -0.009 0.000 1.236 577 G CA -0.499 44.592 45.100 -0.015 0.000 0.958 577 G HN 0.712 nan 8.290 nan 0.000 0.512 578 N N -0.614 118.073 118.700 -0.021 0.000 2.461 578 N HA 0.017 4.758 4.740 0.002 0.000 0.188 578 N C 0.927 176.443 175.510 0.010 0.000 1.134 578 N CA 0.716 53.755 53.050 -0.018 0.000 0.878 578 N CB 0.222 38.684 38.487 -0.042 0.000 0.972 578 N HN 0.626 nan 8.380 nan 0.000 0.456 579 T N -4.046 110.523 114.554 0.026 0.000 2.932 579 T HA 0.681 5.032 4.350 0.002 0.000 0.289 579 T C 1.284 176.015 174.700 0.050 0.000 1.039 579 T CA -0.573 61.553 62.100 0.044 0.000 1.024 579 T CB 2.286 71.189 68.868 0.058 0.000 1.090 579 T HN -0.058 nan 8.240 nan 0.000 0.496 580 A N 1.798 124.650 122.820 0.053 0.000 1.883 580 A HA 0.091 4.412 4.320 0.002 0.000 0.217 580 A C 0.445 178.069 177.584 0.066 0.000 1.186 580 A CA 1.422 53.493 52.037 0.056 0.000 0.624 580 A CB -0.942 18.089 19.000 0.052 0.000 0.822 580 A HN 0.946 nan 8.150 nan 0.000 0.444 581 D N -5.064 115.377 120.400 0.069 0.000 2.523 581 D HA 0.503 5.144 4.640 0.002 0.000 0.236 581 D C 0.485 176.838 176.300 0.087 0.000 1.094 581 D CA 0.133 54.179 54.000 0.078 0.000 0.942 581 D CB 1.210 42.053 40.800 0.073 0.000 1.447 581 D HN 0.511 nan 8.370 nan 0.000 0.479 582 G N -0.013 108.846 108.800 0.098 0.000 2.153 582 G HA2 -0.261 3.700 3.960 0.002 0.000 0.252 582 G HA3 -0.261 3.700 3.960 0.002 0.000 0.252 582 G C 0.561 175.528 174.900 0.112 0.000 0.994 582 G CA 0.736 45.907 45.100 0.118 0.000 0.698 582 G HN 0.844 nan 8.290 nan 0.000 0.521 583 S N -1.487 114.261 115.700 0.079 0.000 2.993 583 S HA 0.354 4.825 4.470 0.002 0.000 0.257 583 S C -0.162 174.444 174.600 0.010 0.000 0.997 583 S CA 0.234 58.462 58.200 0.046 0.000 1.191 583 S CB 1.036 64.258 63.200 0.036 0.000 1.143 583 S HN 0.142 nan 8.310 nan 0.000 0.655 584 D N 2.067 122.485 120.400 0.029 0.000 2.344 584 D HA 0.546 5.187 4.640 0.002 0.000 0.244 584 D C -0.102 176.160 176.300 -0.064 0.000 1.134 584 D CA 0.125 54.120 54.000 -0.008 0.000 0.930 584 D CB 0.771 41.660 40.800 0.149 0.000 1.175 584 D HN 0.383 nan 8.370 nan 0.000 0.437 585 I N 0.053 120.528 120.570 -0.159 0.000 2.607 585 I HA 0.423 4.594 4.170 0.002 0.000 0.290 585 I C 0.302 176.241 176.117 -0.298 0.000 1.129 585 I CA -0.911 60.239 61.300 -0.250 0.000 1.042 585 I CB 2.340 40.166 38.000 -0.291 0.000 1.242 585 I HN 0.238 nan 8.210 nan 0.000 0.421 586 G N 4.481 113.094 108.800 -0.312 0.000 2.400 586 G HA2 0.710 4.671 3.960 0.002 0.000 0.333 586 G HA3 0.710 4.671 3.960 0.002 0.000 0.333 586 G C -1.739 172.910 174.900 -0.419 0.000 1.143 586 G CA -0.311 44.712 45.100 -0.130 0.000 0.914 586 G HN 0.429 nan 8.290 nan 0.000 0.480 587 Y N 0.250 120.647 120.300 0.161 0.000 2.346 587 Y HA 0.428 4.979 4.550 0.002 0.000 0.332 587 Y C -0.851 175.059 175.900 0.015 0.000 0.985 587 Y CA -1.080 57.028 58.100 0.013 0.000 1.112 587 Y CB 2.137 40.599 38.460 0.003 0.000 1.170 587 Y HN 0.607 nan 8.280 nan 0.000 0.447 588 Y N 3.801 124.005 120.300 -0.160 0.000 2.393 588 Y HA 0.681 5.232 4.550 0.002 0.000 0.341 588 Y C -1.926 173.806 175.900 -0.281 0.000 0.988 588 Y CA -2.578 55.504 58.100 -0.031 0.000 1.078 588 Y CB 0.835 39.354 38.460 0.097 0.000 1.203 588 Y HN 0.485 nan 8.280 nan 0.000 0.453 589 F N 8.592 128.386 119.950 -0.259 0.000 2.359 589 F HA 0.416 4.944 4.527 0.002 0.000 0.369 589 F C -1.773 173.693 175.800 -0.556 0.000 1.084 589 F CA -2.273 55.567 58.000 -0.267 0.000 1.096 589 F CB 1.207 40.189 39.000 -0.030 0.000 1.335 589 F HN 0.444 nan 8.300 nan 0.000 0.457 590 P HA -0.245 nan 4.420 nan 0.000 0.216 590 P C 1.697 178.969 177.300 -0.047 0.000 1.151 590 P CA 2.258 65.145 63.100 -0.355 0.000 0.953 590 P CB 0.180 31.817 31.700 -0.106 0.000 0.789 591 G N -2.322 106.489 108.800 0.017 0.000 3.026 591 G HA2 0.377 4.338 3.960 0.002 0.000 0.208 591 G HA3 0.377 4.338 3.960 0.002 0.000 0.208 591 G C 0.480 175.416 174.900 0.059 0.000 1.169 591 G CA 0.370 45.500 45.100 0.050 0.000 0.788 591 G HN 0.656 nan 8.290 nan 0.000 0.533 592 G N -1.557 107.292 108.800 0.082 0.000 2.716 592 G HA2 0.453 4.414 3.960 0.002 0.000 0.686 592 G HA3 0.453 4.414 3.960 0.002 0.000 0.686 592 G C -0.269 174.632 174.900 0.001 0.000 1.337 592 G CA -0.411 44.726 45.100 0.063 0.000 0.829 592 G HN 1.542 nan 8.290 nan 0.000 0.599 593 A N -0.170 122.568 122.820 -0.137 0.000 2.557 593 A HA 0.983 5.304 4.320 0.002 0.000 0.292 593 A C -0.225 177.177 177.584 -0.304 0.000 1.139 593 A CA 0.372 52.278 52.037 -0.219 0.000 0.665 593 A CB 1.376 20.199 19.000 -0.295 0.000 1.285 593 A HN 1.799 nan 8.150 nan 0.000 0.433 594 T N 1.572 115.958 114.554 -0.281 0.000 2.791 594 T HA 0.569 4.920 4.350 0.002 0.000 0.288 594 T C -0.670 173.814 174.700 -0.359 0.000 0.999 594 T CA -0.054 61.875 62.100 -0.285 0.000 0.952 594 T CB 0.165 68.911 68.868 -0.202 0.000 0.938 594 T HN 0.431 nan 8.240 nan 0.000 0.444 595 L N 3.287 124.260 121.223 -0.418 0.000 2.309 595 L HA 0.477 4.818 4.340 0.002 0.000 0.282 595 L C 0.167 176.730 176.870 -0.512 0.000 1.036 595 L CA -1.052 53.507 54.840 -0.469 0.000 0.806 595 L CB 1.389 43.173 42.059 -0.459 0.000 1.220 595 L HN 0.339 nan 8.230 nan 0.000 0.429 596 Q N 2.761 122.093 119.800 -0.779 0.000 2.303 596 Q HA 0.408 4.749 4.340 0.002 0.000 0.257 596 Q C -0.205 175.035 176.000 -1.266 0.000 0.941 596 Q CA -0.232 54.919 55.803 -1.086 0.000 0.931 596 Q CB 1.928 29.695 28.738 -1.619 0.000 1.215 596 Q HN 0.747 nan 8.270 nan 0.000 0.437 597 T N -0.522 113.603 114.554 -0.716 0.000 2.906 597 T HA 0.829 5.180 4.350 0.002 0.000 0.295 597 T C -0.884 173.718 174.700 -0.163 0.000 1.075 597 T CA -0.905 60.959 62.100 -0.394 0.000 1.005 597 T CB 2.288 71.110 68.868 -0.076 0.000 1.136 597 T HN 0.586 nan 8.240 nan 0.000 0.498 598 K N 0.863 121.251 120.400 -0.019 0.000 2.570 598 K HA 0.506 4.827 4.320 0.002 0.000 0.256 598 K C -1.441 175.155 176.600 -0.007 0.000 0.939 598 K CA -0.979 55.330 56.287 0.037 0.000 0.833 598 K CB 2.004 34.587 32.500 0.137 0.000 1.318 598 K HN 0.773 nan 8.250 nan 0.000 0.433 599 R N 2.927 123.402 120.500 -0.041 0.000 2.288 599 R HA 0.225 4.566 4.340 0.002 0.000 0.326 599 R C -1.130 175.155 176.300 -0.024 0.000 0.959 599 R CA -0.189 55.860 56.100 -0.086 0.000 0.834 599 R CB 1.076 31.279 30.300 -0.161 0.000 1.157 599 R HN 0.930 nan 8.270 nan 0.000 0.470 600 E N 2.997 123.200 120.200 0.006 0.000 2.429 600 E HA 0.586 4.937 4.350 0.002 0.000 0.276 600 E C -1.687 174.934 176.600 0.035 0.000 0.953 600 E CA -1.317 55.095 56.400 0.021 0.000 0.787 600 E CB 1.724 31.443 29.700 0.033 0.000 1.307 600 E HN 0.489 nan 8.360 nan 0.000 0.458 601 A N 2.046 124.878 122.820 0.020 0.000 2.260 601 A HA 0.528 4.849 4.320 0.002 0.000 0.308 601 A C -0.441 177.166 177.584 0.040 0.000 1.254 601 A CA -0.659 51.388 52.037 0.016 0.000 0.874 601 A CB 0.329 19.326 19.000 -0.005 0.000 1.153 601 A HN 0.527 nan 8.150 nan 0.000 0.527 602 R N 1.569 122.115 120.500 0.078 0.000 2.562 602 R HA 0.603 4.944 4.340 0.002 0.000 0.298 602 R C -0.921 175.393 176.300 0.023 0.000 0.961 602 R CA -0.439 55.692 56.100 0.053 0.000 0.881 602 R CB 2.151 32.486 30.300 0.059 0.000 1.159 602 R HN 0.648 nan 8.270 nan 0.000 0.450 603 T N 0.836 115.386 114.554 -0.005 0.000 2.855 603 T HA 0.740 5.091 4.350 0.002 0.000 0.281 603 T C -0.197 174.480 174.700 -0.039 0.000 1.007 603 T CA -0.652 61.438 62.100 -0.016 0.000 1.009 603 T CB 1.946 70.810 68.868 -0.006 0.000 0.983 603 T HN 0.804 nan 8.240 nan 0.000 0.455 604 G N 0.969 109.736 108.800 -0.056 0.000 2.576 604 G HA2 0.632 4.593 3.960 0.002 0.000 0.290 604 G HA3 0.632 4.593 3.960 0.002 0.000 0.290 604 G C -0.905 173.942 174.900 -0.087 0.000 1.442 604 G CA -0.614 44.437 45.100 -0.081 0.000 0.792 604 G HN 0.854 nan 8.290 nan 0.000 0.491 605 T N -2.920 111.587 114.554 -0.079 0.000 2.930 605 T HA 0.455 4.806 4.350 0.002 0.000 0.290 605 T C 0.250 174.918 174.700 -0.054 0.000 1.052 605 T CA -0.647 61.438 62.100 -0.024 0.000 1.017 605 T CB 2.005 70.904 68.868 0.051 0.000 1.137 605 T HN 0.523 nan 8.240 nan 0.000 0.511 606 W N 0.550 121.872 121.300 0.037 0.000 2.467 606 W HA 0.176 4.837 4.660 0.002 0.000 0.275 606 W C 2.577 179.106 176.519 0.018 0.000 1.239 606 W CA 0.451 57.818 57.345 0.037 0.000 1.266 606 W CB 0.011 29.502 29.460 0.053 0.000 1.112 606 W HN 0.770 nan 8.180 nan 0.000 0.576 607 K N 0.701 121.233 120.400 0.220 0.000 2.280 607 K HA -0.205 4.116 4.320 0.002 0.000 0.202 607 K C 1.741 178.384 176.600 0.073 0.000 1.047 607 K CA 1.394 57.759 56.287 0.130 0.000 0.942 607 K CB -0.105 32.453 32.500 0.096 0.000 0.739 607 K HN 0.211 nan 8.250 nan 0.000 0.457 608 Q N 0.160 119.985 119.800 0.041 0.000 2.167 608 Q HA -0.087 4.254 4.340 0.002 0.000 0.202 608 Q C 1.787 177.772 176.000 -0.024 0.000 0.970 608 Q CA 1.545 57.348 55.803 -0.000 0.000 0.855 608 Q CB -0.010 28.710 28.738 -0.030 0.000 0.911 608 Q HN 0.591 nan 8.270 nan 0.000 0.438 609 I N -3.725 116.832 120.570 -0.021 0.000 4.025 609 I HA 0.324 4.495 4.170 0.002 0.000 0.336 609 I C -0.133 175.986 176.117 0.002 0.000 1.390 609 I CA -0.200 61.066 61.300 -0.057 0.000 1.099 609 I CB 0.496 38.432 38.000 -0.105 0.000 1.049 609 I HN -0.086 nan 8.210 nan 0.000 0.394 610 N N 1.724 120.459 118.700 0.059 0.000 2.751 610 N HA 0.179 4.920 4.740 0.002 0.000 0.238 610 N C -0.921 174.630 175.510 0.068 0.000 1.351 610 N CA -0.351 52.741 53.050 0.070 0.000 0.751 610 N CB 0.522 39.087 38.487 0.130 0.000 1.342 610 N HN 0.146 nan 8.380 nan 0.000 0.540 611 N N 1.651 120.375 118.700 0.040 0.000 3.254 611 N HA 0.201 4.942 4.740 0.002 0.000 0.308 611 N C -0.877 174.653 175.510 0.033 0.000 1.281 611 N CA -0.024 53.049 53.050 0.038 0.000 1.212 611 N CB 0.131 38.635 38.487 0.028 0.000 1.478 611 N HN 0.399 nan 8.380 nan 0.000 0.548 612 R N 0.744 121.267 120.500 0.038 0.000 2.711 612 R HA 0.357 4.698 4.340 0.002 0.000 0.284 612 R C -1.396 174.913 176.300 0.015 0.000 0.968 612 R CA -1.849 54.266 56.100 0.026 0.000 0.924 612 R CB 1.197 31.513 30.300 0.026 0.000 1.162 612 R HN 0.205 nan 8.270 nan 0.000 0.465 613 P HA -0.238 nan 4.420 nan 0.000 0.216 613 P C 0.589 177.869 177.300 -0.032 0.000 1.150 613 P CA 1.519 64.607 63.100 -0.019 0.000 0.843 613 P CB 0.203 31.883 31.700 -0.034 0.000 0.787 614 A N -0.913 121.879 122.820 -0.047 0.000 2.238 614 A HA 0.079 4.400 4.320 0.002 0.000 0.208 614 A C 1.238 178.797 177.584 -0.042 0.000 1.177 614 A CA 0.449 52.442 52.037 -0.074 0.000 0.804 614 A CB -1.046 17.877 19.000 -0.128 0.000 0.823 614 A HN 0.250 nan 8.150 nan 0.000 0.482 615 T N 1.348 115.908 114.554 0.009 0.000 2.799 615 T HA 0.480 4.831 4.350 0.002 0.000 0.286 615 T C -2.880 171.859 174.700 0.064 0.000 0.973 615 T CA -2.010 60.120 62.100 0.051 0.000 1.035 615 T CB 0.540 69.471 68.868 0.105 0.000 0.932 615 T HN 0.021 nan 8.240 nan 0.000 0.469 616 P HA 0.127 nan 4.420 nan 0.000 0.262 616 P C -0.115 177.272 177.300 0.146 0.000 1.182 616 P CA 0.147 63.301 63.100 0.091 0.000 0.761 616 P CB 0.492 32.243 31.700 0.085 0.000 0.795 617 S N -0.036 115.726 115.700 0.104 0.000 2.540 617 S HA 0.017 4.488 4.470 0.002 0.000 0.218 617 S C 0.810 175.467 174.600 0.094 0.000 0.977 617 S CA -0.006 58.251 58.200 0.096 0.000 0.918 617 S CB -0.174 63.063 63.200 0.061 0.000 0.806 617 S HN 0.537 nan 8.310 nan 0.000 0.496 618 T N 3.304 117.924 114.554 0.109 0.000 2.829 618 T HA 0.387 4.738 4.350 0.002 0.000 0.293 618 T C 0.275 175.040 174.700 0.108 0.000 0.970 618 T CA -0.313 61.846 62.100 0.098 0.000 1.168 618 T CB 0.007 68.936 68.868 0.101 0.000 0.911 618 T HN 0.303 nan 8.240 nan 0.000 0.535 619 A N 5.000 127.862 122.820 0.070 0.000 2.425 619 A HA 0.575 4.896 4.320 0.002 0.000 0.249 619 A C -0.099 177.516 177.584 0.052 0.000 1.084 619 A CA -0.456 51.611 52.037 0.050 0.000 0.781 619 A CB 0.404 19.423 19.000 0.031 0.000 1.019 619 A HN 0.800 nan 8.150 nan 0.000 0.490 620 V N 1.699 121.632 119.914 0.033 0.000 2.876 620 V HA 0.617 4.738 4.120 0.002 0.000 0.312 620 V C -0.018 176.079 176.094 0.005 0.000 1.085 620 V CA -0.492 61.828 62.300 0.034 0.000 0.945 620 V CB 2.422 34.282 31.823 0.062 0.000 1.017 620 V HN 0.945 nan 8.190 nan 0.000 0.428 621 T N 4.584 119.142 114.554 0.007 0.000 2.812 621 T HA 0.676 5.027 4.350 0.002 0.000 0.282 621 T C -0.600 174.085 174.700 -0.025 0.000 0.990 621 T CA -0.727 61.370 62.100 -0.005 0.000 0.960 621 T CB 1.292 70.158 68.868 -0.004 0.000 0.948 621 T HN 0.455 nan 8.240 nan 0.000 0.438 622 R N 2.472 122.948 120.500 -0.040 0.000 2.837 622 R HA 0.545 4.886 4.340 0.002 0.000 0.271 622 R C -0.708 175.446 176.300 -0.243 0.000 0.993 622 R CA -1.002 55.003 56.100 -0.159 0.000 0.931 622 R CB 1.291 31.460 30.300 -0.218 0.000 1.206 622 R HN 0.531 nan 8.270 nan 0.000 0.474 623 N N 1.233 119.692 118.700 -0.400 0.000 2.443 623 N HA 0.415 5.156 4.740 0.002 0.000 0.295 623 N C -0.950 174.170 175.510 -0.650 0.000 1.076 623 N CA -0.145 52.696 53.050 -0.349 0.000 0.919 623 N CB 1.280 39.636 38.487 -0.219 0.000 1.176 623 N HN 0.341 nan 8.380 nan 0.000 0.487 624 Y N -0.417 119.808 120.300 -0.126 0.000 2.524 624 Y HA 0.269 4.820 4.550 0.002 0.000 0.347 624 Y C -0.079 175.721 175.900 -0.166 0.000 1.005 624 Y CA -0.969 57.046 58.100 -0.141 0.000 1.025 624 Y CB 1.902 40.279 38.460 -0.138 0.000 1.275 624 Y HN 0.372 nan 8.280 nan 0.000 0.460 625 E N 1.422 121.601 120.200 -0.035 0.000 2.141 625 E HA 0.448 4.799 4.350 0.002 0.000 0.259 625 E C -1.471 175.080 176.600 -0.082 0.000 0.883 625 E CA -0.485 55.800 56.400 -0.192 0.000 0.744 625 E CB 0.950 30.420 29.700 -0.384 0.000 1.150 625 E HN 0.550 nan 8.360 nan 0.000 0.420 626 T N 5.475 120.019 114.554 -0.016 0.000 2.797 626 T HA 0.568 4.919 4.350 0.002 0.000 0.279 626 T C -0.095 174.688 174.700 0.138 0.000 0.991 626 T CA -0.595 61.562 62.100 0.094 0.000 0.979 626 T CB 0.583 69.551 68.868 0.167 0.000 0.943 626 T HN 0.446 nan 8.240 nan 0.000 0.444 627 M N 3.388 123.054 119.600 0.111 0.000 2.263 627 M HA 0.628 5.109 4.480 0.002 0.000 0.295 627 M C -1.415 174.954 176.300 0.116 0.000 1.028 627 M CA -0.772 54.518 55.300 -0.015 0.000 0.921 627 M CB 2.088 34.585 32.600 -0.172 0.000 1.601 627 M HN 0.868 nan 8.290 nan 0.000 0.440 628 W N 2.388 123.584 121.300 -0.173 0.000 3.062 628 W HA 0.831 5.492 4.660 0.002 0.000 0.336 628 W C -2.061 174.324 176.519 -0.222 0.000 1.224 628 W CA -1.049 56.180 57.345 -0.193 0.000 1.159 628 W CB 0.694 30.058 29.460 -0.160 0.000 1.454 628 W HN 0.291 nan 8.180 nan 0.000 0.569 629 I N 2.900 123.429 120.570 -0.068 0.000 2.331 629 I HA 0.113 4.284 4.170 0.002 0.000 0.292 629 I C -0.366 175.604 176.117 -0.244 0.000 0.998 629 I CA -0.340 60.809 61.300 -0.252 0.000 1.267 629 I CB 1.000 38.820 38.000 -0.300 0.000 1.386 629 I HN 0.501 nan 8.210 nan 0.000 0.476 630 D N 5.494 125.766 120.400 -0.212 0.000 2.313 630 D HA 0.165 4.806 4.640 0.002 0.000 0.239 630 D C 0.724 176.925 176.300 -0.165 0.000 1.142 630 D CA -0.070 53.877 54.000 -0.088 0.000 0.847 630 D CB 0.549 41.342 40.800 -0.012 0.000 1.082 630 D HN 0.439 nan 8.370 nan 0.000 0.480 631 H N 2.170 121.284 119.070 0.074 0.000 2.548 631 H HA 0.338 4.895 4.556 0.002 0.000 0.265 631 H C 1.329 176.678 175.328 0.036 0.000 0.969 631 H CA 0.376 56.458 56.048 0.056 0.000 1.155 631 H CB 0.523 30.328 29.762 0.071 0.000 1.394 631 H HN 0.668 nan 8.280 nan 0.000 0.570 632 G N 0.241 109.109 108.800 0.112 0.000 2.757 632 G HA2 -0.236 3.725 3.960 0.002 0.000 0.638 632 G HA3 -0.236 3.725 3.960 0.002 0.000 0.638 632 G C -0.352 174.585 174.900 0.062 0.000 1.344 632 G CA -0.455 44.685 45.100 0.067 0.000 0.855 632 G HN 0.211 nan 8.290 nan 0.000 0.537 633 T N 0.441 115.015 114.554 0.033 0.000 2.882 633 T HA 0.525 4.876 4.350 0.002 0.000 0.287 633 T C 0.861 175.575 174.700 0.024 0.000 0.992 633 T CA 0.464 62.576 62.100 0.020 0.000 1.076 633 T CB 0.697 69.567 68.868 0.002 0.000 0.961 633 T HN 1.084 nan 8.240 nan 0.000 0.490 634 N N 1.497 120.211 118.700 0.024 0.000 2.705 634 N HA -0.131 4.610 4.740 0.002 0.000 0.255 634 N C -2.499 173.023 175.510 0.021 0.000 1.008 634 N CA -0.284 52.780 53.050 0.022 0.000 0.742 634 N CB -0.638 37.857 38.487 0.014 0.000 0.906 634 N HN 0.477 nan 8.380 nan 0.000 0.541 635 P HA 0.137 nan 4.420 nan 0.000 0.274 635 P C -0.640 176.657 177.300 -0.005 0.000 1.237 635 P CA -0.036 63.077 63.100 0.020 0.000 0.793 635 P CB 1.285 33.008 31.700 0.039 0.000 0.977 636 S N -1.044 114.647 115.700 -0.015 0.000 2.733 636 S HA 0.560 5.031 4.470 0.002 0.000 0.294 636 S C 0.577 175.150 174.600 -0.044 0.000 1.149 636 S CA -0.083 58.099 58.200 -0.031 0.000 1.034 636 S CB 0.791 63.978 63.200 -0.021 0.000 1.015 636 S HN 0.919 nan 8.310 nan 0.000 0.486 637 G N 1.327 110.085 108.800 -0.070 0.000 2.160 637 G HA2 0.003 3.964 3.960 0.002 0.000 0.251 637 G HA3 0.003 3.964 3.960 0.002 0.000 0.251 637 G C 0.487 175.336 174.900 -0.085 0.000 1.008 637 G CA 0.000 45.050 45.100 -0.083 0.000 0.724 637 G HN 1.664 nan 8.290 nan 0.000 0.514 638 A N -0.446 122.317 122.820 -0.094 0.000 2.406 638 A HA 0.829 5.150 4.320 0.002 0.000 0.243 638 A C 0.892 178.401 177.584 -0.125 0.000 1.082 638 A CA 1.077 53.066 52.037 -0.079 0.000 0.786 638 A CB 0.589 19.531 19.000 -0.098 0.000 1.029 638 A HN 2.121 nan 8.150 nan 0.000 0.495 639 S N -0.771 114.905 115.700 -0.041 0.000 2.685 639 S HA 0.855 5.326 4.470 0.002 0.000 0.282 639 S C -0.937 173.742 174.600 0.131 0.000 1.159 639 S CA -0.291 57.860 58.200 -0.081 0.000 0.833 639 S CB 1.409 64.546 63.200 -0.107 0.000 1.151 639 S HN 1.906 nan 8.310 nan 0.000 0.485 640 Y N -2.278 118.073 120.300 0.085 0.000 2.641 640 Y HA 0.843 5.394 4.550 0.002 0.000 0.333 640 Y C -0.723 175.253 175.900 0.127 0.000 1.174 640 Y CA -0.790 57.418 58.100 0.179 0.000 1.057 640 Y CB 0.943 39.595 38.460 0.319 0.000 1.322 640 Y HN 1.228 nan 8.280 nan 0.000 0.457 641 G N 1.754 110.820 108.800 0.443 0.000 2.734 641 G HA2 0.565 4.526 3.960 0.002 0.000 0.293 641 G HA3 0.565 4.526 3.960 0.002 0.000 0.293 641 G C -2.313 172.794 174.900 0.346 0.000 1.422 641 G CA -0.754 44.502 45.100 0.259 0.000 1.177 641 G HN 1.270 nan 8.290 nan 0.000 0.565 642 Y N -0.457 119.933 120.300 0.151 0.000 2.609 642 Y HA 0.801 5.352 4.550 0.002 0.000 0.336 642 Y C -1.379 174.526 175.900 0.008 0.000 1.129 642 Y CA -1.692 56.372 58.100 -0.059 0.000 1.040 642 Y CB 1.572 39.947 38.460 -0.142 0.000 1.310 642 Y HN 0.453 nan 8.280 nan 0.000 0.460 643 V N 3.301 123.288 119.914 0.123 0.000 2.588 643 V HA 0.430 4.551 4.120 0.002 0.000 0.304 643 V C -0.478 175.678 176.094 0.103 0.000 1.042 643 V CA -0.911 61.470 62.300 0.135 0.000 0.877 643 V CB 1.757 33.717 31.823 0.228 0.000 0.996 643 V HN 0.753 nan 8.190 nan 0.000 0.425 644 L N 5.562 126.827 121.223 0.069 0.000 2.265 644 L HA 0.517 4.858 4.340 0.002 0.000 0.288 644 L C -0.606 176.135 176.870 -0.214 0.000 1.058 644 L CA -0.269 54.521 54.840 -0.083 0.000 0.809 644 L CB 0.959 43.006 42.059 -0.020 0.000 1.179 644 L HN 0.469 nan 8.230 nan 0.000 0.429 645 L N 6.023 127.054 121.223 -0.321 0.000 2.387 645 L HA 0.391 4.732 4.340 0.002 0.000 0.259 645 L C -2.280 174.396 176.870 -0.323 0.000 1.050 645 L CA -1.774 52.870 54.840 -0.327 0.000 0.922 645 L CB 0.994 42.838 42.059 -0.359 0.000 1.280 645 L HN 0.328 nan 8.230 nan 0.000 0.449 646 P HA 0.111 nan 4.420 nan 0.000 0.271 646 P C -0.198 176.988 177.300 -0.190 0.000 1.216 646 P CA -0.093 62.753 63.100 -0.424 0.000 0.776 646 P CB 0.392 31.519 31.700 -0.954 0.000 0.881 647 N N -0.673 117.984 118.700 -0.071 0.000 2.721 647 N HA -0.202 4.539 4.740 0.002 0.000 0.249 647 N C -0.421 175.120 175.510 0.052 0.000 1.072 647 N CA 1.224 54.297 53.050 0.039 0.000 0.710 647 N CB -1.302 37.250 38.487 0.108 0.000 0.993 647 N HN 0.573 nan 8.380 nan 0.000 0.547 648 K N 0.250 120.679 120.400 0.048 0.000 2.208 648 K HA 0.409 4.730 4.320 0.002 0.000 0.247 648 K C 0.632 177.273 176.600 0.068 0.000 0.953 648 K CA -0.572 55.734 56.287 0.031 0.000 0.837 648 K CB 1.367 33.844 32.500 -0.039 0.000 1.131 648 K HN 0.182 nan 8.250 nan 0.000 0.431 649 T N -1.691 112.828 114.554 -0.058 0.000 2.849 649 T HA 0.010 4.361 4.350 0.002 0.000 0.284 649 T C 1.463 175.843 174.700 -0.532 0.000 1.004 649 T CA -0.329 61.639 62.100 -0.220 0.000 1.021 649 T CB 1.280 70.076 68.868 -0.119 0.000 1.013 649 T HN 0.616 nan 8.240 nan 0.000 0.527 650 S N 0.962 116.114 115.700 -0.913 0.000 2.402 650 S HA -0.161 4.310 4.470 0.002 0.000 0.233 650 S C 2.273 176.678 174.600 -0.326 0.000 1.030 650 S CA 0.789 58.645 58.200 -0.574 0.000 1.003 650 S CB -1.140 61.963 63.200 -0.162 0.000 0.813 650 S HN 1.026 nan 8.310 nan 0.000 0.477 651 A N 1.265 123.944 122.820 -0.236 0.000 1.968 651 A HA 0.003 4.324 4.320 0.002 0.000 0.217 651 A C 2.327 179.770 177.584 -0.235 0.000 1.169 651 A CA 1.183 53.108 52.037 -0.186 0.000 0.638 651 A CB -0.612 18.330 19.000 -0.096 0.000 0.812 651 A HN 0.635 nan 8.150 nan 0.000 0.446 652 Q N -0.541 119.132 119.800 -0.212 0.000 2.123 652 Q HA -0.071 4.270 4.340 0.002 0.000 0.199 652 Q C 2.090 177.953 176.000 -0.229 0.000 0.966 652 Q CA 1.432 57.136 55.803 -0.164 0.000 0.845 652 Q CB -0.231 28.447 28.738 -0.100 0.000 0.907 652 Q HN 0.474 nan 8.270 nan 0.000 0.439 653 V N 0.417 120.130 119.914 -0.335 0.000 2.343 653 V HA -0.211 3.910 4.120 0.002 0.000 0.247 653 V C 2.190 177.798 176.094 -0.810 0.000 1.051 653 V CA 2.007 64.051 62.300 -0.426 0.000 1.036 653 V CB -1.101 30.546 31.823 -0.295 0.000 0.654 653 V HN 0.532 nan 8.190 nan 0.000 0.451 654 G N -0.441 107.657 108.800 -1.171 0.000 2.421 654 G HA2 -0.206 3.755 3.960 0.002 0.000 0.216 654 G HA3 -0.206 3.755 3.960 0.002 0.000 0.216 654 G C 1.792 176.381 174.900 -0.519 0.000 1.171 654 G CA 1.059 45.420 45.100 -1.232 0.000 0.775 654 G HN 0.600 nan 8.290 nan 0.000 0.543 655 A N 0.088 122.711 122.820 -0.328 0.000 1.883 655 A HA -0.099 4.222 4.320 0.002 0.000 0.217 655 A C 2.208 179.679 177.584 -0.188 0.000 1.186 655 A CA 1.793 53.716 52.037 -0.189 0.000 0.624 655 A CB -0.847 18.073 19.000 -0.132 0.000 0.822 655 A HN 0.483 nan 8.150 nan 0.000 0.444 656 Y N 0.507 120.615 120.300 -0.321 0.000 2.128 656 Y HA -0.190 4.361 4.550 0.002 0.000 0.284 656 Y C 2.661 178.283 175.900 -0.463 0.000 1.154 656 Y CA 1.798 59.695 58.100 -0.337 0.000 1.149 656 Y CB -0.393 37.873 38.460 -0.325 0.000 0.976 656 Y HN 0.321 nan 8.280 nan 0.000 0.505 657 A N -0.071 122.587 122.820 -0.269 0.000 2.076 657 A HA -0.114 4.207 4.320 0.002 0.000 0.220 657 A C 2.236 179.747 177.584 -0.121 0.000 1.160 657 A CA 1.670 53.522 52.037 -0.307 0.000 0.653 657 A CB -1.223 17.788 19.000 0.018 0.000 0.801 657 A HN 0.618 nan 8.150 nan 0.000 0.455 658 A N -1.184 121.552 122.820 -0.141 0.000 1.878 658 A HA 0.129 4.450 4.320 0.002 0.000 0.213 658 A C 0.998 178.516 177.584 -0.110 0.000 1.192 658 A CA 1.322 53.320 52.037 -0.064 0.000 0.619 658 A CB 0.072 19.040 19.000 -0.055 0.000 0.837 658 A HN 0.332 nan 8.150 nan 0.000 0.446 659 D N -0.045 120.233 120.400 -0.205 0.000 2.443 659 D HA 0.302 4.943 4.640 0.002 0.000 0.281 659 D C -2.897 173.159 176.300 -0.407 0.000 1.210 659 D CA -1.912 51.955 54.000 -0.221 0.000 0.875 659 D CB 1.051 41.752 40.800 -0.165 0.000 1.125 659 D HN 0.156 nan 8.370 nan 0.000 0.503 660 P HA 0.205 nan 4.420 nan 0.000 0.275 660 P C 0.377 177.333 177.300 -0.574 0.000 1.227 660 P CA -0.336 62.241 63.100 -0.872 0.000 0.781 660 P CB 1.734 33.061 31.700 -0.622 0.000 0.906 661 A N 3.005 125.423 122.820 -0.670 0.000 2.167 661 A HA 0.055 4.376 4.320 0.002 0.000 0.214 661 A C 0.991 178.477 177.584 -0.163 0.000 1.151 661 A CA 0.677 52.541 52.037 -0.288 0.000 0.735 661 A CB -0.546 18.362 19.000 -0.153 0.000 0.802 661 A HN 0.476 nan 8.150 nan 0.000 0.467 662 I N -0.319 120.203 120.570 -0.080 0.000 2.498 662 I HA 0.378 4.549 4.170 0.002 0.000 0.301 662 I C 0.044 176.178 176.117 0.028 0.000 0.984 662 I CA -0.813 60.511 61.300 0.041 0.000 1.204 662 I CB 1.622 39.778 38.000 0.260 0.000 1.362 662 I HN 0.301 nan 8.210 nan 0.000 0.471 663 E N 6.595 126.796 120.200 0.002 0.000 2.317 663 E HA 0.352 4.703 4.350 0.002 0.000 0.270 663 E C -1.365 175.219 176.600 -0.026 0.000 0.899 663 E CA -0.484 55.913 56.400 -0.005 0.000 0.814 663 E CB 1.029 30.704 29.700 -0.041 0.000 1.296 663 E HN 0.467 nan 8.360 nan 0.000 0.404 664 I N 5.324 125.888 120.570 -0.010 0.000 2.581 664 I HA -0.021 4.150 4.170 0.002 0.000 0.285 664 I C 1.307 177.387 176.117 -0.062 0.000 1.129 664 I CA -0.142 61.127 61.300 -0.051 0.000 1.397 664 I CB 0.889 38.871 38.000 -0.029 0.000 1.399 664 I HN 0.515 nan 8.210 nan 0.000 0.537 665 V N 7.475 127.332 119.914 -0.096 0.000 2.346 665 V HA -0.053 4.068 4.120 0.002 0.000 0.244 665 V C 0.554 176.608 176.094 -0.067 0.000 1.037 665 V CA 1.034 63.287 62.300 -0.078 0.000 1.029 665 V CB 0.050 31.817 31.823 -0.092 0.000 0.663 665 V HN 0.716 nan 8.190 nan 0.000 0.454 666 V N -1.868 117.995 119.914 -0.085 0.000 3.000 666 V HA 0.668 4.789 4.120 0.002 0.000 0.300 666 V C -1.274 174.777 176.094 -0.072 0.000 1.251 666 V CA -0.895 61.365 62.300 -0.067 0.000 0.972 666 V CB 1.914 33.701 31.823 -0.060 0.000 1.065 666 V HN 0.233 nan 8.190 nan 0.000 0.431 667 N N 1.659 120.322 118.700 -0.062 0.000 2.752 667 N HA 0.529 5.270 4.740 0.002 0.000 0.260 667 N C -0.781 174.680 175.510 -0.081 0.000 1.562 667 N CA 0.302 53.307 53.050 -0.076 0.000 0.788 667 N CB 1.444 39.873 38.487 -0.097 0.000 1.192 667 N HN 1.078 nan 8.380 nan 0.000 0.503 668 T N -0.550 113.970 114.554 -0.055 0.000 2.910 668 T HA 0.518 4.869 4.350 0.002 0.000 0.287 668 T C 0.050 174.702 174.700 -0.080 0.000 1.050 668 T CA -0.347 61.717 62.100 -0.060 0.000 1.011 668 T CB 1.199 70.052 68.868 -0.024 0.000 1.195 668 T HN 0.256 nan 8.240 nan 0.000 0.540 672 V N 0.933 120.965 119.914 0.197 0.000 2.924 672 V HA 0.688 4.809 4.120 0.002 0.000 0.300 672 V C -2.073 174.027 176.094 0.010 0.000 1.227 672 V CA -0.567 61.737 62.300 0.007 0.000 0.954 672 V CB 2.029 33.733 31.823 -0.198 0.000 1.055 672 V HN 0.263 nan 8.190 nan 0.000 0.429 673 Q N 3.152 122.953 119.800 0.002 0.000 2.340 673 Q HA 0.770 5.111 4.340 0.002 0.000 0.268 673 Q C -1.119 174.885 176.000 0.005 0.000 1.031 673 Q CA -0.387 55.453 55.803 0.062 0.000 0.804 673 Q CB 2.209 31.082 28.738 0.227 0.000 1.286 673 Q HN 0.761 nan 8.270 nan 0.000 0.448 674 S N 1.716 117.335 115.700 -0.135 0.000 2.546 674 S HA 0.694 5.165 4.470 0.002 0.000 0.272 674 S C -1.520 172.818 174.600 -0.436 0.000 1.140 674 S CA -0.490 57.537 58.200 -0.288 0.000 0.920 674 S CB 1.451 64.535 63.200 -0.194 0.000 1.083 674 S HN 0.331 nan 8.310 nan 0.000 0.476 675 V N 4.803 124.299 119.914 -0.697 0.000 2.789 675 V HA 0.632 4.753 4.120 0.002 0.000 0.311 675 V C 0.127 176.100 176.094 -0.203 0.000 1.073 675 V CA -0.732 61.294 62.300 -0.456 0.000 0.921 675 V CB 2.039 33.513 31.823 -0.582 0.000 1.009 675 V HN 0.933 nan 8.190 nan 0.000 0.426 676 K N 2.292 122.614 120.400 -0.130 0.000 2.092 676 K HA 0.632 4.953 4.320 0.002 0.000 0.256 676 K C 0.044 176.473 176.600 -0.284 0.000 1.041 676 K CA -0.549 55.644 56.287 -0.157 0.000 1.070 676 K CB 1.598 34.024 32.500 -0.123 0.000 1.707 676 K HN 0.570 nan 8.250 nan 0.000 0.750 677 K N -1.038 119.221 120.400 -0.235 0.000 2.770 677 K HA 0.035 4.356 4.320 0.002 0.000 0.195 677 K C 1.738 178.250 176.600 -0.146 0.000 1.515 677 K CA 0.711 56.901 56.287 -0.163 0.000 1.199 677 K CB 0.421 32.841 32.500 -0.133 0.000 1.681 677 K HN 0.708 nan 8.250 nan 0.000 0.586 678 T N 0.357 114.820 114.554 -0.152 0.000 2.857 678 T HA 0.000 4.351 4.350 0.002 0.000 0.266 678 T C 1.653 176.289 174.700 -0.106 0.000 1.048 678 T CA 0.753 62.788 62.100 -0.109 0.000 1.139 678 T CB 0.018 68.837 68.868 -0.082 0.000 0.874 678 T HN -0.092 nan 8.240 nan 0.000 0.455 679 L N 0.831 121.954 121.223 -0.166 0.000 2.477 679 L HA 0.394 4.735 4.340 0.002 0.000 0.220 679 L C 2.085 178.863 176.870 -0.152 0.000 1.106 679 L CA 1.301 56.044 54.840 -0.162 0.000 0.851 679 L CB -1.283 40.614 42.059 -0.271 0.000 0.994 679 L HN 0.691 nan 8.230 nan 0.000 0.462 680 G N 0.853 109.556 108.800 -0.162 0.000 2.160 680 G HA2 -0.260 3.701 3.960 0.002 0.000 0.244 680 G HA3 -0.260 3.701 3.960 0.002 0.000 0.244 680 G C 0.112 174.939 174.900 -0.122 0.000 1.022 680 G CA 0.040 45.072 45.100 -0.114 0.000 0.741 680 G HN 0.277 nan 8.290 nan 0.000 0.508 681 L N -0.202 120.896 121.223 -0.209 0.000 2.325 681 L HA 0.749 5.090 4.340 0.002 0.000 0.279 681 L C 0.170 176.980 176.870 -0.101 0.000 1.054 681 L CA -1.221 53.522 54.840 -0.161 0.000 0.804 681 L CB 2.057 43.957 42.059 -0.264 0.000 1.200 681 L HN -0.040 nan 8.230 nan 0.000 0.436 682 V N 1.764 121.692 119.914 0.022 0.000 2.524 682 V HA 0.615 4.736 4.120 0.002 0.000 0.297 682 V C 0.208 176.383 176.094 0.136 0.000 1.035 682 V CA -0.535 61.789 62.300 0.041 0.000 0.867 682 V CB 1.652 33.489 31.823 0.023 0.000 1.004 682 V HN 0.863 nan 8.190 nan 0.000 0.426 683 G N 2.840 111.732 108.800 0.154 0.000 2.432 683 G HA2 0.869 4.830 3.960 0.002 0.000 0.331 683 G HA3 0.869 4.830 3.960 0.002 0.000 0.331 683 G C -0.777 174.268 174.900 0.242 0.000 1.170 683 G CA -0.326 44.965 45.100 0.318 0.000 0.943 683 G HN 1.267 nan 8.290 nan 0.000 0.483 684 A N 1.322 124.327 122.820 0.310 0.000 2.513 684 A HA 0.671 4.992 4.320 0.002 0.000 0.296 684 A C -0.876 176.678 177.584 -0.050 0.000 1.052 684 A CA -0.814 51.245 52.037 0.037 0.000 0.714 684 A CB 1.141 20.027 19.000 -0.190 0.000 1.279 684 A HN 0.667 nan 8.150 nan 0.000 0.397 685 N N 1.117 119.678 118.700 -0.231 0.000 2.446 685 N HA 0.580 5.321 4.740 0.002 0.000 0.265 685 N C -1.641 173.465 175.510 -0.674 0.000 0.975 685 N CA -0.216 52.636 53.050 -0.330 0.000 0.928 685 N CB 1.213 39.375 38.487 -0.541 0.000 1.160 685 N HN 0.485 nan 8.380 nan 0.000 0.495 686 F N 1.207 121.051 119.950 -0.175 0.000 2.391 686 F HA 0.263 4.791 4.527 0.002 0.000 0.359 686 F C 0.430 176.201 175.800 -0.049 0.000 1.122 686 F CA -0.815 57.123 58.000 -0.102 0.000 1.120 686 F CB 0.477 39.487 39.000 0.017 0.000 1.142 686 F HN 0.593 nan 8.300 nan 0.000 0.483 687 W N 0.869 122.297 121.300 0.213 0.000 2.905 687 W HA 0.096 4.757 4.660 0.002 0.000 0.251 687 W C 0.748 177.377 176.519 0.184 0.000 1.305 687 W CA 0.187 57.582 57.345 0.084 0.000 1.465 687 W CB -0.032 29.326 29.460 -0.170 0.000 1.122 687 W HN 0.388 nan 8.180 nan 0.000 0.659 688 T N -3.624 111.149 114.554 0.364 0.000 2.901 688 T HA 0.262 4.613 4.350 0.002 0.000 0.293 688 T C -0.344 174.467 174.700 0.185 0.000 1.084 688 T CA -0.870 61.380 62.100 0.251 0.000 1.008 688 T CB 2.242 71.221 68.868 0.184 0.000 1.170 688 T HN -0.252 nan 8.240 nan 0.000 0.509 689 D N 2.380 122.857 120.400 0.127 0.000 3.134 689 D HA 0.255 4.896 4.640 0.002 0.000 0.248 689 D C 0.388 176.715 176.300 0.044 0.000 1.273 689 D CA 0.081 54.124 54.000 0.071 0.000 0.904 689 D CB -0.072 40.760 40.800 0.053 0.000 1.089 689 D HN 0.787 nan 8.370 nan 0.000 0.478 690 T N -3.422 111.164 114.554 0.053 0.000 2.901 690 T HA 0.384 4.735 4.350 0.002 0.000 0.293 690 T C 0.176 174.885 174.700 0.016 0.000 1.084 690 T CA -0.749 61.370 62.100 0.033 0.000 1.008 690 T CB 1.878 70.776 68.868 0.050 0.000 1.170 690 T HN -0.191 nan 8.240 nan 0.000 0.509 691 T N 2.916 117.468 114.554 -0.005 0.000 2.799 691 T HA 0.378 4.729 4.350 0.002 0.000 0.296 691 T C -0.241 174.468 174.700 0.015 0.000 0.947 691 T CA -0.180 61.902 62.100 -0.029 0.000 1.141 691 T CB 0.043 68.887 68.868 -0.040 0.000 0.891 691 T HN 0.581 nan 8.240 nan 0.000 0.533 692 Q N 1.345 121.161 119.800 0.027 0.000 2.421 692 Q HA 0.622 4.963 4.340 0.002 0.000 0.280 692 Q C -0.536 175.575 176.000 0.184 0.000 1.085 692 Q CA -1.077 54.814 55.803 0.146 0.000 0.807 692 Q CB 2.470 31.398 28.738 0.317 0.000 1.405 692 Q HN 0.744 nan 8.270 nan 0.000 0.419 693 T N -2.156 112.519 114.554 0.202 0.000 2.861 693 T HA 0.834 5.185 4.350 0.002 0.000 0.287 693 T C -1.166 173.652 174.700 0.197 0.000 1.003 693 T CA -0.800 61.418 62.100 0.198 0.000 0.977 693 T CB 1.667 70.581 68.868 0.078 0.000 0.996 693 T HN 0.601 nan 8.240 nan 0.000 0.448 694 A N 3.365 126.315 122.820 0.216 0.000 2.363 694 A HA 0.722 5.043 4.320 0.002 0.000 0.296 694 A C 0.239 177.864 177.584 0.068 0.000 1.237 694 A CA 0.011 52.098 52.037 0.083 0.000 0.773 694 A CB -0.129 18.856 19.000 -0.026 0.000 1.153 694 A HN 1.351 nan 8.150 nan 0.000 0.473 695 D N 0.595 121.013 120.400 0.031 0.000 3.955 695 D HA -0.317 4.324 4.640 0.002 0.000 0.142 695 D C 1.073 177.388 176.300 0.026 0.000 0.877 695 D CA 2.780 56.790 54.000 0.016 0.000 1.100 695 D CB -0.973 39.829 40.800 0.003 0.000 0.533 695 D HN 1.087 nan 8.370 nan 0.000 0.546 696 L N -0.226 121.012 121.223 0.026 0.000 2.554 696 L HA 0.405 4.746 4.340 0.002 0.000 0.226 696 L C 0.641 177.528 176.870 0.028 0.000 1.137 696 L CA -0.083 54.767 54.840 0.017 0.000 0.863 696 L CB -0.232 41.832 42.059 0.007 0.000 0.985 696 L HN 0.238 nan 8.230 nan 0.000 0.451 697 I N 0.828 121.444 120.570 0.077 0.000 2.385 697 I HA 0.359 4.530 4.170 0.002 0.000 0.294 697 I C -0.345 175.833 176.117 0.101 0.000 0.988 697 I CA -0.226 61.137 61.300 0.105 0.000 1.265 697 I CB 1.652 39.793 38.000 0.236 0.000 1.388 697 I HN -0.041 nan 8.210 nan 0.000 0.480 698 T N 3.884 118.406 114.554 -0.053 0.000 2.881 698 T HA 0.413 4.764 4.350 0.002 0.000 0.290 698 T C -0.682 173.793 174.700 -0.376 0.000 1.000 698 T CA -0.606 61.409 62.100 -0.141 0.000 0.978 698 T CB 1.714 70.514 68.868 -0.112 0.000 0.997 698 T HN 0.618 nan 8.240 nan 0.000 0.443 699 S N 1.346 116.681 115.700 -0.609 0.000 2.548 699 S HA 0.451 4.922 4.470 0.002 0.000 0.286 699 S C 0.551 174.894 174.600 -0.428 0.000 1.098 699 S CA -0.803 56.973 58.200 -0.707 0.000 0.930 699 S CB 0.901 63.288 63.200 -1.356 0.000 1.070 699 S HN 0.868 nan 8.310 nan 0.000 0.480 700 N N 1.865 120.385 118.700 -0.300 0.000 2.220 700 N HA 0.302 5.043 4.740 0.002 0.000 0.195 700 N C -0.180 175.256 175.510 -0.122 0.000 1.123 700 N CA -0.364 52.583 53.050 -0.172 0.000 0.874 700 N CB 0.285 38.686 38.487 -0.142 0.000 0.995 700 N HN 0.177 nan 8.380 nan 0.000 0.498 701 K N 0.655 120.963 120.400 -0.153 0.000 2.444 701 K HA 0.355 4.676 4.320 0.002 0.000 0.252 701 K C -1.114 175.472 176.600 -0.023 0.000 0.993 701 K CA -0.748 55.495 56.287 -0.073 0.000 0.847 701 K CB 1.652 34.100 32.500 -0.088 0.000 1.340 701 K HN -0.037 nan 8.250 nan 0.000 0.446 702 K N 1.135 121.571 120.400 0.059 0.000 2.484 702 K HA 0.407 4.728 4.320 0.002 0.000 0.280 702 K C -0.601 176.010 176.600 0.019 0.000 1.013 702 K CA 0.261 56.644 56.287 0.159 0.000 1.029 702 K CB 0.410 33.003 32.500 0.153 0.000 0.902 702 K HN 0.617 nan 8.250 nan 0.000 0.481 703 A N 1.661 124.563 122.820 0.136 0.000 2.544 703 A HA 0.459 4.780 4.320 0.002 0.000 0.291 703 A C -1.448 176.258 177.584 0.204 0.000 1.055 703 A CA -0.716 51.342 52.037 0.034 0.000 0.651 703 A CB 1.833 20.843 19.000 0.015 0.000 1.296 703 A HN 0.435 nan 8.150 nan 0.000 0.431 704 S N -0.146 115.612 115.700 0.097 0.000 2.552 704 S HA 0.699 5.170 4.470 0.002 0.000 0.314 704 S C -1.185 173.536 174.600 0.201 0.000 1.099 704 S CA -0.365 57.936 58.200 0.170 0.000 1.070 704 S CB 0.768 64.019 63.200 0.085 0.000 0.998 704 S HN 1.323 nan 8.310 nan 0.000 0.474 705 V N 5.993 126.068 119.914 0.269 0.000 2.876 705 V HA 0.674 4.795 4.120 0.002 0.000 0.312 705 V C -0.494 175.753 176.094 0.255 0.000 1.085 705 V CA -0.704 61.757 62.300 0.267 0.000 0.945 705 V CB 2.178 34.196 31.823 0.326 0.000 1.017 705 V HN 0.835 nan 8.190 nan 0.000 0.428 706 M N 3.447 123.184 119.600 0.228 0.000 2.378 706 M HA 0.574 5.055 4.480 0.002 0.000 0.289 706 M C -0.832 175.582 176.300 0.191 0.000 1.136 706 M CA -0.202 55.229 55.300 0.219 0.000 0.917 706 M CB 2.628 35.359 32.600 0.219 0.000 1.669 706 M HN 0.971 nan 8.290 nan 0.000 0.461 707 T N 0.543 115.194 114.554 0.162 0.000 2.906 707 T HA 0.776 5.127 4.350 0.002 0.000 0.295 707 T C -0.886 173.871 174.700 0.096 0.000 1.061 707 T CA -0.950 61.230 62.100 0.132 0.000 1.000 707 T CB 2.853 71.792 68.868 0.118 0.000 1.103 707 T HN 0.795 nan 8.240 nan 0.000 0.486 708 R N 0.750 121.307 120.500 0.095 0.000 2.561 708 R HA 0.519 4.860 4.340 0.002 0.000 0.297 708 R C -1.211 175.127 176.300 0.064 0.000 0.969 708 R CA -0.534 55.602 56.100 0.061 0.000 0.879 708 R CB 1.615 31.968 30.300 0.089 0.000 1.178 708 R HN 0.911 nan 8.270 nan 0.000 0.445 709 E N 5.555 125.774 120.200 0.032 0.000 2.199 709 E HA 0.286 4.637 4.350 0.002 0.000 0.265 709 E C -1.099 175.516 176.600 0.025 0.000 0.882 709 E CA -0.617 55.804 56.400 0.035 0.000 0.759 709 E CB 1.272 30.984 29.700 0.021 0.000 1.148 709 E HN 0.550 nan 8.360 nan 0.000 0.412 710 I N 4.174 124.767 120.570 0.039 0.000 2.388 710 I HA 0.300 4.471 4.170 0.002 0.000 0.281 710 I C 0.303 176.437 176.117 0.028 0.000 1.046 710 I CA -0.782 60.537 61.300 0.032 0.000 1.187 710 I CB 1.130 39.156 38.000 0.043 0.000 1.351 710 I HN 0.691 nan 8.210 nan 0.000 0.472 711 A N 4.567 127.396 122.820 0.016 0.000 2.610 711 A HA -0.156 4.165 4.320 0.002 0.000 0.250 711 A C 0.764 178.358 177.584 0.018 0.000 0.978 711 A CA 0.691 52.735 52.037 0.012 0.000 0.827 711 A CB -0.515 18.488 19.000 0.004 0.000 0.867 711 A HN 0.951 nan 8.150 nan 0.000 0.495 712 D N 0.392 120.804 120.400 0.019 0.000 2.792 712 D HA -0.222 4.419 4.640 0.002 0.000 0.231 712 D C 0.513 176.830 176.300 0.029 0.000 1.160 712 D CA 1.931 55.944 54.000 0.022 0.000 0.697 712 D CB -0.596 40.214 40.800 0.015 0.000 1.070 712 D HN 0.922 nan 8.370 nan 0.000 0.426 713 E N -0.969 119.253 120.200 0.037 0.000 3.590 713 E HA 0.198 4.549 4.350 0.002 0.000 0.223 713 E C 0.280 176.915 176.600 0.059 0.000 1.195 713 E CA -0.329 56.096 56.400 0.042 0.000 1.670 713 E CB 0.913 30.635 29.700 0.036 0.000 1.578 713 E HN 0.149 nan 8.360 nan 0.000 0.763 714 R N 0.352 120.892 120.500 0.067 0.000 2.629 714 R HA 0.463 4.804 4.340 0.002 0.000 0.266 714 R C -2.295 174.069 176.300 0.107 0.000 1.051 714 R CA -0.754 55.401 56.100 0.092 0.000 0.895 714 R CB 1.497 31.848 30.300 0.084 0.000 1.246 714 R HN 0.125 nan 8.270 nan 0.000 0.459 715 L N 2.269 123.587 121.223 0.157 0.000 2.381 715 L HA 0.542 4.883 4.340 0.002 0.000 0.274 715 L C -1.187 175.818 176.870 0.224 0.000 0.988 715 L CA -0.028 54.914 54.840 0.171 0.000 0.824 715 L CB 1.945 44.099 42.059 0.158 0.000 1.263 715 L HN 0.691 nan 8.230 nan 0.000 0.410 716 E N 3.459 123.756 120.200 0.162 0.000 2.207 716 E HA 0.860 5.211 4.350 0.002 0.000 0.270 716 E C -1.261 175.389 176.600 0.085 0.000 0.927 716 E CA -1.056 55.406 56.400 0.103 0.000 0.799 716 E CB 2.168 31.962 29.700 0.156 0.000 1.172 716 E HN 0.777 nan 8.360 nan 0.000 0.404 717 A N 1.498 124.284 122.820 -0.057 0.000 2.520 717 A HA 0.648 4.969 4.320 0.002 0.000 0.298 717 A C -1.069 176.491 177.584 -0.041 0.000 1.051 717 A CA -0.570 51.500 52.037 0.054 0.000 0.690 717 A CB 2.052 21.198 19.000 0.242 0.000 1.281 717 A HN 0.394 nan 8.150 nan 0.000 0.402 718 S N -0.141 115.636 115.700 0.130 0.000 2.538 718 S HA 0.775 5.246 4.470 0.002 0.000 0.288 718 S C -0.969 173.768 174.600 0.229 0.000 1.108 718 S CA -0.403 57.910 58.200 0.187 0.000 0.971 718 S CB 1.726 65.068 63.200 0.236 0.000 1.041 718 S HN 0.985 nan 8.310 nan 0.000 0.483 719 V N 2.266 122.339 119.914 0.264 0.000 3.049 719 V HA 0.905 5.026 4.120 0.002 0.000 0.309 719 V C -0.582 175.672 176.094 0.267 0.000 1.148 719 V CA -0.749 61.697 62.300 0.243 0.000 0.990 719 V CB 2.173 34.139 31.823 0.240 0.000 1.039 719 V HN 0.964 nan 8.190 nan 0.000 0.430 720 S N 0.557 116.359 115.700 0.170 0.000 2.570 720 S HA 0.626 5.097 4.470 0.002 0.000 0.270 720 S C -1.673 172.930 174.600 0.004 0.000 1.149 720 S CA -0.710 57.577 58.200 0.146 0.000 0.837 720 S CB 2.177 65.427 63.200 0.083 0.000 1.124 720 S HN 0.815 nan 8.310 nan 0.000 0.465 721 D N 1.905 122.290 120.400 -0.024 0.000 2.485 721 D HA 0.432 5.073 4.640 0.002 0.000 0.229 721 D C -1.134 175.018 176.300 -0.246 0.000 1.101 721 D CA -2.418 51.490 54.000 -0.153 0.000 0.906 721 D CB 1.406 42.154 40.800 -0.087 0.000 1.019 721 D HN 0.267 nan 8.370 nan 0.000 0.516 722 P HA -0.176 nan 4.420 nan 0.000 0.219 722 P C 1.227 178.301 177.300 -0.378 0.000 1.146 722 P CA 1.131 63.922 63.100 -0.515 0.000 0.808 722 P CB -0.070 30.999 31.700 -1.052 0.000 0.779 723 T N -3.271 111.037 114.554 -0.410 0.000 2.962 723 T HA -0.144 4.207 4.350 0.002 0.000 0.270 723 T C 1.289 175.933 174.700 -0.094 0.000 1.088 723 T CA 0.640 62.626 62.100 -0.190 0.000 1.127 723 T CB -1.110 67.672 68.868 -0.143 0.000 0.883 723 T HN 0.217 nan 8.240 nan 0.000 0.493 724 Q N -0.341 119.401 119.800 -0.096 0.000 2.480 724 Q HA -0.248 4.093 4.340 0.002 0.000 0.265 724 Q C 0.969 176.957 176.000 -0.020 0.000 1.072 724 Q CA 0.522 56.302 55.803 -0.040 0.000 1.018 724 Q CB -1.933 26.791 28.738 -0.025 0.000 1.433 724 Q HN 0.837 nan 8.270 nan 0.000 0.513 725 A N -0.278 122.524 122.820 -0.030 0.000 2.498 725 A HA 0.106 4.427 4.320 0.002 0.000 0.238 725 A C 0.352 177.928 177.584 -0.012 0.000 1.225 725 A CA -0.155 51.875 52.037 -0.011 0.000 0.978 725 A CB 0.520 19.519 19.000 -0.002 0.000 1.142 725 A HN 0.248 nan 8.150 nan 0.000 0.552 726 N N 2.118 120.802 118.700 -0.027 0.000 2.420 726 N HA 0.058 4.799 4.740 0.002 0.000 0.262 726 N C -0.154 175.344 175.510 -0.020 0.000 1.144 726 N CA 0.233 53.266 53.050 -0.028 0.000 0.952 726 N CB 0.454 38.911 38.487 -0.048 0.000 1.081 726 N HN 0.444 nan 8.380 nan 0.000 0.480 727 N N 1.932 120.624 118.700 -0.014 0.000 2.279 727 N HA 0.206 4.947 4.740 0.002 0.000 0.226 727 N C 0.678 176.178 175.510 -0.017 0.000 1.126 727 N CA -0.484 52.560 53.050 -0.009 0.000 0.846 727 N CB 0.786 39.273 38.487 -0.001 0.000 1.050 727 N HN 0.425 nan 8.380 nan 0.000 0.502 728 G N -0.409 108.373 108.800 -0.030 0.000 3.267 728 G HA2 0.541 4.502 3.960 0.002 0.000 0.200 728 G HA3 0.541 4.502 3.960 0.002 0.000 0.200 728 G C -0.470 174.394 174.900 -0.060 0.000 1.603 728 G CA 0.209 45.286 45.100 -0.039 0.000 0.753 728 G HN 0.402 nan 8.290 nan 0.000 0.755 729 T N -2.345 112.166 114.554 -0.072 0.000 2.838 729 T HA 0.729 5.080 4.350 0.002 0.000 0.292 729 T C -1.142 173.491 174.700 -0.112 0.000 1.113 729 T CA -0.651 61.388 62.100 -0.100 0.000 1.008 729 T CB 1.923 70.734 68.868 -0.096 0.000 1.259 729 T HN 0.306 nan 8.240 nan 0.000 0.520 730 I N 1.171 121.657 120.570 -0.140 0.000 2.418 730 I HA 0.566 4.737 4.170 0.002 0.000 0.287 730 I C 0.006 175.994 176.117 -0.215 0.000 1.008 730 I CA -1.216 59.985 61.300 -0.165 0.000 1.104 730 I CB 1.685 39.590 38.000 -0.158 0.000 1.264 730 I HN 0.975 nan 8.210 nan 0.000 0.438 731 A N 8.198 130.879 122.820 -0.232 0.000 2.269 731 A HA 0.686 5.007 4.320 0.002 0.000 0.302 731 A C -0.420 176.925 177.584 -0.397 0.000 1.266 731 A CA -0.300 51.568 52.037 -0.283 0.000 0.894 731 A CB 0.199 19.075 19.000 -0.206 0.000 1.147 731 A HN 0.525 nan 8.150 nan 0.000 0.537 732 I N 1.359 121.559 120.570 -0.618 0.000 2.648 732 I HA 0.534 4.705 4.170 0.002 0.000 0.304 732 I C 0.132 175.868 176.117 -0.635 0.000 1.009 732 I CA -0.360 60.516 61.300 -0.706 0.000 1.114 732 I CB 1.822 39.208 38.000 -1.024 0.000 1.293 732 I HN 0.834 nan 8.210 nan 0.000 0.449 733 E N 4.291 124.251 120.200 -0.399 0.000 2.287 733 E HA 0.432 4.783 4.350 0.002 0.000 0.274 733 E C -1.965 174.535 176.600 -0.166 0.000 0.896 733 E CA -0.613 55.635 56.400 -0.255 0.000 0.788 733 E CB 1.844 31.431 29.700 -0.188 0.000 1.244 733 E HN 0.235 nan 8.360 nan 0.000 0.408 734 L N 2.665 123.808 121.223 -0.133 0.000 2.309 734 L HA 0.491 4.832 4.340 0.002 0.000 0.282 734 L C 0.462 177.277 176.870 -0.092 0.000 1.036 734 L CA -0.416 54.368 54.840 -0.092 0.000 0.806 734 L CB 1.358 43.356 42.059 -0.101 0.000 1.220 734 L HN 0.710 nan 8.230 nan 0.000 0.429 735 A N 4.741 127.526 122.820 -0.058 0.000 3.029 735 A HA 0.413 4.734 4.320 0.002 0.000 0.251 735 A C 0.321 177.876 177.584 -0.049 0.000 1.749 735 A CA -0.131 51.877 52.037 -0.049 0.000 1.386 735 A CB -0.955 18.027 19.000 -0.029 0.000 1.043 735 A HN 0.526 nan 8.150 nan 0.000 0.638 736 R N -0.545 119.912 120.500 -0.071 0.000 2.739 736 R HA 0.479 4.820 4.340 0.002 0.000 0.271 736 R C -1.025 175.234 176.300 -0.068 0.000 1.010 736 R CA -0.550 55.514 56.100 -0.060 0.000 0.897 736 R CB 1.520 31.784 30.300 -0.059 0.000 1.236 736 R HN 0.291 nan 8.270 nan 0.000 0.466 737 S N 0.196 115.874 115.700 -0.037 0.000 2.442 737 S HA 0.763 5.234 4.470 0.002 0.000 0.297 737 S C -0.770 173.830 174.600 -0.000 0.000 1.131 737 S CA -0.324 57.863 58.200 -0.023 0.000 1.092 737 S CB 0.858 64.054 63.200 -0.007 0.000 0.998 737 S HN 0.629 nan 8.310 nan 0.000 0.478 738 A N 3.574 126.403 122.820 0.014 0.000 2.386 738 A HA 0.737 5.058 4.320 0.002 0.000 0.308 738 A C 0.106 177.749 177.584 0.099 0.000 1.128 738 A CA -0.657 51.428 52.037 0.079 0.000 0.789 738 A CB 1.038 20.122 19.000 0.140 0.000 1.325 738 A HN 0.867 nan 8.150 nan 0.000 0.437 739 E N -0.145 120.128 120.200 0.122 0.000 2.601 739 E HA 0.371 4.722 4.350 0.002 0.000 0.219 739 E C 0.399 177.077 176.600 0.130 0.000 0.964 739 E CA 0.382 56.845 56.400 0.105 0.000 1.050 739 E CB 1.233 30.976 29.700 0.071 0.000 1.068 739 E HN 0.888 nan 8.360 nan 0.000 0.496 740 G N 1.069 109.983 108.800 0.190 0.000 2.547 740 G HA2 0.444 4.405 3.960 0.002 0.000 0.291 740 G HA3 0.444 4.405 3.960 0.002 0.000 0.291 740 G C -1.953 173.112 174.900 0.275 0.000 1.471 740 G CA -0.758 44.454 45.100 0.186 0.000 0.798 740 G HN 0.096 nan 8.290 nan 0.000 0.504 741 Y N -1.759 118.532 120.300 -0.015 0.000 2.677 741 Y HA 0.857 5.409 4.550 0.002 0.000 0.334 741 Y C -0.850 174.931 175.900 -0.198 0.000 1.196 741 Y CA -1.091 56.899 58.100 -0.182 0.000 1.059 741 Y CB 1.464 39.762 38.460 -0.270 0.000 1.315 741 Y HN 1.234 nan 8.280 nan 0.000 0.455 742 S N 1.632 117.138 115.700 -0.323 0.000 2.546 742 S HA 0.940 5.411 4.470 0.002 0.000 0.272 742 S C -1.571 172.946 174.600 -0.139 0.000 1.140 742 S CA 0.249 58.278 58.200 -0.285 0.000 0.920 742 S CB 1.051 64.141 63.200 -0.184 0.000 1.083 742 S HN 1.756 nan 8.310 nan 0.000 0.476 743 A N 3.232 126.024 122.820 -0.047 0.000 2.587 743 A HA 0.721 5.042 4.320 0.002 0.000 0.293 743 A C -1.361 176.250 177.584 0.045 0.000 1.087 743 A CA -0.800 51.229 52.037 -0.014 0.000 0.692 743 A CB 1.033 20.012 19.000 -0.036 0.000 1.291 743 A HN 0.729 nan 8.150 nan 0.000 0.407 744 D N 1.987 122.443 120.400 0.093 0.000 2.368 744 D HA 0.367 5.008 4.640 0.002 0.000 0.240 744 D C -2.087 174.303 176.300 0.151 0.000 1.169 744 D CA -0.409 53.668 54.000 0.128 0.000 0.906 744 D CB 0.348 41.264 40.800 0.192 0.000 1.187 744 D HN 0.330 nan 8.370 nan 0.000 0.435 745 P HA 0.165 nan 4.420 nan 0.000 0.271 745 P C 0.627 178.052 177.300 0.208 0.000 1.216 745 P CA -0.073 63.109 63.100 0.135 0.000 0.776 745 P CB 1.031 32.793 31.700 0.103 0.000 0.881 746 G N 1.889 110.762 108.800 0.121 0.000 2.201 746 G HA2 -0.155 3.806 3.960 0.002 0.000 0.212 746 G HA3 -0.155 3.806 3.960 0.002 0.000 0.212 746 G C -0.078 174.777 174.900 -0.074 0.000 0.994 746 G CA -0.410 44.712 45.100 0.037 0.000 0.644 746 G HN 0.494 nan 8.290 nan 0.000 0.508 747 I N 2.160 122.743 120.570 0.021 0.000 2.378 747 I HA 0.454 4.625 4.170 0.002 0.000 0.291 747 I C -0.383 175.762 176.117 0.046 0.000 0.992 747 I CA -0.537 60.779 61.300 0.026 0.000 1.154 747 I CB 2.088 40.095 38.000 0.012 0.000 1.315 747 I HN -0.003 nan 8.210 nan 0.000 0.448 748 T N 5.689 120.282 114.554 0.066 0.000 2.791 748 T HA 0.357 4.708 4.350 0.002 0.000 0.288 748 T C -0.159 174.576 174.700 0.058 0.000 0.999 748 T CA -0.424 61.707 62.100 0.052 0.000 0.952 748 T CB 1.602 70.493 68.868 0.038 0.000 0.938 748 T HN 0.131 nan 8.240 nan 0.000 0.444 749 V N 4.276 124.149 119.914 -0.068 0.000 2.432 749 V HA 0.305 4.426 4.120 0.002 0.000 0.275 749 V C 1.537 177.584 176.094 -0.077 0.000 1.043 749 V CA -0.125 62.089 62.300 -0.144 0.000 0.925 749 V CB 1.146 32.530 31.823 -0.732 0.000 0.985 749 V HN 1.138 nan 8.190 nan 0.000 0.466 750 T N 0.979 115.527 114.554 -0.010 0.000 2.985 750 T HA 0.245 4.596 4.350 0.002 0.000 0.254 750 T C 0.296 174.989 174.700 -0.012 0.000 1.021 750 T CA -0.006 62.089 62.100 -0.009 0.000 0.957 750 T CB 0.295 69.160 68.868 -0.005 0.000 1.047 750 T HN 0.554 nan 8.240 nan 0.000 0.511 751 Q N -0.357 119.433 119.800 -0.017 0.000 2.295 751 Q HA 0.515 4.856 4.340 0.002 0.000 0.268 751 Q C -1.092 174.896 176.000 -0.021 0.000 1.010 751 Q CA -0.675 55.119 55.803 -0.016 0.000 0.856 751 Q CB 2.017 30.740 28.738 -0.025 0.000 1.349 751 Q HN 0.116 nan 8.270 nan 0.000 0.412 752 L N 1.782 123.005 121.223 0.000 0.000 2.609 752 L HA 0.650 4.991 4.340 0.002 0.000 0.230 752 L C -0.341 176.527 176.870 -0.003 0.000 1.064 752 L CA 0.942 55.792 54.840 0.016 0.000 0.873 752 L CB 1.269 43.380 42.059 0.086 0.000 1.139 752 L HN 0.647 nan 8.230 nan 0.000 0.490 753 A N -1.730 121.089 122.820 -0.002 0.000 2.574 753 A HA 0.664 4.985 4.320 0.002 0.000 0.297 753 A C -2.105 175.472 177.584 -0.011 0.000 1.062 753 A CA -0.652 51.380 52.037 -0.007 0.000 0.686 753 A CB 0.517 19.522 19.000 0.008 0.000 1.285 753 A HN -0.024 nan 8.150 nan 0.000 0.403 754 P HA -0.010 nan 4.420 nan 0.000 0.218 754 P C 0.628 177.908 177.300 -0.033 0.000 1.149 754 P CA 2.010 65.098 63.100 -0.020 0.000 0.817 754 P CB 0.083 31.771 31.700 -0.019 0.000 0.785 755 T N -3.497 111.030 114.554 -0.045 0.000 2.916 755 T HA 0.592 4.943 4.350 0.002 0.000 0.292 755 T C -0.197 174.448 174.700 -0.091 0.000 1.055 755 T CA -0.977 61.081 62.100 -0.069 0.000 1.009 755 T CB 1.337 70.165 68.868 -0.068 0.000 1.118 755 T HN -0.231 nan 8.240 nan 0.000 0.497 756 I N 1.781 122.264 120.570 -0.145 0.000 2.441 756 I HA 0.378 4.549 4.170 0.002 0.000 0.287 756 I C 0.409 176.459 176.117 -0.113 0.000 1.049 756 I CA -0.261 60.921 61.300 -0.197 0.000 1.381 756 I CB 0.709 38.425 38.000 -0.473 0.000 1.409 756 I HN 0.478 nan 8.210 nan 0.000 0.523 757 K N 7.174 127.555 120.400 -0.031 0.000 2.468 757 K HA 0.699 5.020 4.320 0.002 0.000 0.252 757 K C -1.274 175.396 176.600 0.117 0.000 0.932 757 K CA -0.642 55.617 56.287 -0.046 0.000 0.794 757 K CB 2.629 35.084 32.500 -0.074 0.000 1.241 757 K HN 0.502 nan 8.250 nan 0.000 0.428 758 F N -1.933 117.965 119.950 -0.087 0.000 2.741 758 F HA 0.528 5.056 4.527 0.002 0.000 0.311 758 F C -1.054 174.702 175.800 -0.073 0.000 1.149 758 F CA -0.999 56.961 58.000 -0.066 0.000 0.930 758 F CB 1.148 40.140 39.000 -0.014 0.000 1.312 758 F HN 0.415 nan 8.300 nan 0.000 0.450 759 T N -0.577 114.041 114.554 0.107 0.000 2.924 759 T HA 0.817 5.168 4.350 0.002 0.000 0.291 759 T C -1.420 173.308 174.700 0.047 0.000 1.045 759 T CA -0.920 61.162 62.100 -0.029 0.000 1.015 759 T CB 1.771 70.604 68.868 -0.058 0.000 1.103 759 T HN 0.808 nan 8.240 nan 0.000 0.496 760 V N 2.557 122.424 119.914 -0.079 0.000 2.407 760 V HA 0.401 4.522 4.120 0.002 0.000 0.291 760 V C -0.348 175.569 176.094 -0.296 0.000 1.018 760 V CA -1.136 61.032 62.300 -0.219 0.000 0.842 760 V CB 1.388 33.056 31.823 -0.258 0.000 0.996 760 V HN 0.886 nan 8.190 nan 0.000 0.426 761 N N 3.514 122.021 118.700 -0.322 0.000 2.402 761 N HA 0.099 4.840 4.740 0.002 0.000 0.259 761 N C 0.744 176.088 175.510 -0.278 0.000 1.167 761 N CA 0.027 52.946 53.050 -0.217 0.000 0.949 761 N CB 1.820 40.236 38.487 -0.119 0.000 1.212 761 N HN 0.719 nan 8.380 nan 0.000 0.493 762 V N -0.143 119.663 119.914 -0.181 0.000 3.514 762 V HA 0.161 4.282 4.120 0.002 0.000 0.301 762 V C 0.722 176.829 176.094 0.022 0.000 1.346 762 V CA -0.693 61.570 62.300 -0.061 0.000 1.156 762 V CB -0.817 30.979 31.823 -0.046 0.000 1.029 762 V HN 0.305 nan 8.190 nan 0.000 0.428 763 N N 2.755 121.458 118.700 0.005 0.000 2.429 763 N HA 0.336 5.077 4.740 0.002 0.000 0.271 763 N C 1.348 176.891 175.510 0.054 0.000 1.272 763 N CA 1.448 54.511 53.050 0.022 0.000 0.921 763 N CB 0.159 38.653 38.487 0.012 0.000 1.128 763 N HN 0.738 nan 8.380 nan 0.000 0.481 764 G N 2.342 111.173 108.800 0.052 0.000 2.179 764 G HA2 -0.290 3.671 3.960 0.002 0.000 0.257 764 G HA3 -0.290 3.671 3.960 0.002 0.000 0.257 764 G C 0.916 175.869 174.900 0.089 0.000 1.010 764 G CA 0.564 45.701 45.100 0.062 0.000 0.736 764 G HN 0.908 nan 8.290 nan 0.000 0.513 765 A N -0.281 122.613 122.820 0.123 0.000 2.066 765 A HA 0.348 4.669 4.320 0.002 0.000 0.218 765 A C 1.814 179.448 177.584 0.083 0.000 1.157 765 A CA 1.829 53.971 52.037 0.175 0.000 0.670 765 A CB -0.187 19.028 19.000 0.358 0.000 0.804 765 A HN 1.111 nan 8.150 nan 0.000 0.453 766 K N -2.083 118.353 120.400 0.059 0.000 3.150 766 K HA -0.226 4.095 4.320 0.002 0.000 0.267 766 K C 0.874 177.477 176.600 0.006 0.000 1.028 766 K CA 0.990 57.296 56.287 0.031 0.000 0.753 766 K CB -2.494 30.032 32.500 0.045 0.000 1.288 766 K HN 1.663 nan 8.250 nan 0.000 0.473 767 G N -0.216 108.586 108.800 0.004 0.000 2.184 767 G HA2 -0.430 3.531 3.960 0.002 0.000 0.264 767 G HA3 -0.430 3.531 3.960 0.002 0.000 0.264 767 G C 0.228 175.117 174.900 -0.019 0.000 0.975 767 G CA 1.208 46.296 45.100 -0.020 0.000 0.642 767 G HN 0.691 nan 8.290 nan 0.000 0.536 768 K N 0.361 120.740 120.400 -0.035 0.000 2.230 768 K HA 0.580 4.901 4.320 0.002 0.000 0.253 768 K C 0.030 176.558 176.600 -0.120 0.000 1.008 768 K CA 0.241 56.453 56.287 -0.126 0.000 0.910 768 K CB 0.708 33.054 32.500 -0.257 0.000 0.994 768 K HN 0.081 nan 8.250 nan 0.000 0.495 769 S N 1.087 116.700 115.700 -0.146 0.000 2.489 769 S HA 0.444 4.915 4.470 0.002 0.000 0.291 769 S C -1.013 173.493 174.600 -0.156 0.000 1.151 769 S CA -0.735 57.454 58.200 -0.019 0.000 1.082 769 S CB 0.212 63.452 63.200 0.066 0.000 1.019 769 S HN 0.411 nan 8.310 nan 0.000 0.492 770 F N 2.323 122.332 119.950 0.098 0.000 2.443 770 F HA 0.397 4.925 4.527 0.002 0.000 0.335 770 F C 0.712 176.595 175.800 0.138 0.000 1.104 770 F CA -0.616 57.447 58.000 0.105 0.000 1.013 770 F CB 1.098 40.153 39.000 0.093 0.000 1.136 770 F HN 0.539 nan 8.300 nan 0.000 0.470 771 H N 1.649 120.819 119.070 0.166 0.000 2.621 771 H HA 0.870 5.428 4.556 0.002 0.000 0.360 771 H C -1.616 173.715 175.328 0.006 0.000 1.163 771 H CA -0.785 55.317 56.048 0.089 0.000 1.194 771 H CB 1.980 31.772 29.762 0.050 0.000 1.649 771 H HN 0.777 nan 8.280 nan 0.000 0.532 772 A N 2.278 124.789 122.820 -0.515 0.000 2.566 772 A HA 0.462 4.783 4.320 0.002 0.000 0.297 772 A C -1.253 175.977 177.584 -0.590 0.000 1.059 772 A CA -0.377 51.387 52.037 -0.455 0.000 0.691 772 A CB 1.221 19.848 19.000 -0.621 0.000 1.282 772 A HN 0.701 nan 8.150 nan 0.000 0.401 773 S N 0.738 116.173 115.700 -0.441 0.000 2.561 773 S HA 0.851 5.322 4.470 0.002 0.000 0.303 773 S C -0.951 173.426 174.600 -0.372 0.000 1.110 773 S CA -0.498 57.559 58.200 -0.239 0.000 1.034 773 S CB 0.587 63.811 63.200 0.040 0.000 1.010 773 S HN 0.485 nan 8.310 nan 0.000 0.482 774 F N 1.742 121.710 119.950 0.030 0.000 2.458 774 F HA 0.496 5.024 4.527 0.002 0.000 0.330 774 F C 0.554 176.386 175.800 0.053 0.000 1.082 774 F CA -0.857 57.179 58.000 0.060 0.000 0.995 774 F CB 1.707 40.732 39.000 0.041 0.000 1.170 774 F HN 0.625 nan 8.300 nan 0.000 0.478 775 Q N 3.088 123.025 119.800 0.229 0.000 2.271 775 Q HA 0.722 5.063 4.340 0.002 0.000 0.258 775 Q C -1.197 174.884 176.000 0.134 0.000 0.936 775 Q CA -0.644 55.244 55.803 0.141 0.000 0.909 775 Q CB 1.830 30.622 28.738 0.089 0.000 1.253 775 Q HN 0.643 nan 8.270 nan 0.000 0.440 776 L N 1.094 122.376 121.223 0.099 0.000 2.578 776 L HA 0.927 5.268 4.340 0.002 0.000 0.259 776 L C 0.508 177.410 176.870 0.053 0.000 1.082 776 L CA -0.892 53.991 54.840 0.071 0.000 0.843 776 L CB 1.137 43.231 42.059 0.057 0.000 1.535 776 L HN 0.924 nan 8.230 nan 0.000 0.510 777 G N 0.000 108.823 108.800 0.038 0.000 5.446 777 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 777 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 777 G CA 0.000 45.118 45.100 0.030 0.000 0.502 777 G HN 0.000 nan 8.290 nan 0.000 0.925