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 1j0n_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 0.000 174.651 174.600 0.086 0.000 1.055 26 S CA 0.000 58.247 58.200 0.078 0.000 1.107 26 S CB 0.000 63.239 63.200 0.065 0.000 0.593 27 D N -0.071 120.396 120.400 0.111 0.000 2.867 27 D HA 0.475 5.116 4.640 0.001 0.000 0.308 27 D C 0.738 177.105 176.300 0.112 0.000 1.202 27 D CA -0.782 53.295 54.000 0.128 0.000 1.035 27 D CB 0.053 40.980 40.800 0.212 0.000 1.427 27 D HN 0.460 nan 8.370 nan 0.000 0.570 28 E N -0.912 119.339 120.200 0.084 0.000 2.031 28 E HA -0.095 4.256 4.350 0.001 0.000 0.193 28 E C 1.719 178.336 176.600 0.028 0.000 0.994 28 E CA 1.002 57.411 56.400 0.014 0.000 0.800 28 E CB -0.287 29.386 29.700 -0.045 0.000 0.752 28 E HN 0.368 nan 8.360 nan 0.000 0.447 29 F N 1.860 121.884 119.950 0.123 0.000 2.111 29 F HA -0.277 4.250 4.527 0.001 0.000 0.300 29 F C 2.147 177.928 175.800 -0.032 0.000 1.088 29 F CA 1.485 59.490 58.000 0.008 0.000 1.243 29 F CB -0.479 38.504 39.000 -0.028 0.000 0.996 29 F HN 0.024 nan 8.300 nan 0.000 0.483 30 D N -0.151 120.350 120.400 0.169 0.000 2.178 30 D HA -0.119 4.522 4.640 0.001 0.000 0.201 30 D C 2.306 178.634 176.300 0.047 0.000 0.980 30 D CA 1.336 55.374 54.000 0.063 0.000 0.842 30 D CB -0.600 40.248 40.800 0.080 0.000 0.948 30 D HN 0.282 nan 8.370 nan 0.000 0.472 31 A N 0.742 123.596 122.820 0.057 0.000 1.873 31 A HA -0.082 4.238 4.320 0.001 0.000 0.215 31 A C 2.374 179.986 177.584 0.046 0.000 1.186 31 A CA 0.720 52.783 52.037 0.044 0.000 0.616 31 A CB -0.758 18.260 19.000 0.031 0.000 0.823 31 A HN 0.170 nan 8.150 nan 0.000 0.442 32 L N -0.970 120.277 121.223 0.040 0.000 2.013 32 L HA -0.238 4.103 4.340 0.001 0.000 0.212 32 L C 2.845 179.767 176.870 0.087 0.000 1.073 32 L CA 2.033 56.899 54.840 0.043 0.000 0.753 32 L CB -0.604 41.458 42.059 0.005 0.000 0.890 32 L HN 0.469 nan 8.230 nan 0.000 0.432 33 R N 0.328 120.857 120.500 0.049 0.000 2.091 33 R HA -0.191 4.150 4.340 0.001 0.000 0.238 33 R C 2.205 178.574 176.300 0.114 0.000 1.136 33 R CA 1.443 57.569 56.100 0.043 0.000 0.959 33 R CB -0.028 30.201 30.300 -0.118 0.000 0.856 33 R HN 0.273 nan 8.270 nan 0.000 0.437 34 I N 1.142 121.763 120.570 0.084 0.000 2.439 34 I HA -0.210 3.960 4.170 0.001 0.000 0.251 34 I C 2.320 178.517 176.117 0.133 0.000 1.139 34 I CA 1.170 62.530 61.300 0.099 0.000 1.438 34 I CB -1.027 37.019 38.000 0.076 0.000 1.085 34 I HN 0.262 nan 8.210 nan 0.000 0.427 35 K N 0.387 120.877 120.400 0.151 0.000 2.057 35 K HA -0.228 4.093 4.320 0.001 0.000 0.206 35 K C 2.285 179.048 176.600 0.271 0.000 1.050 35 K CA 1.303 57.701 56.287 0.186 0.000 0.935 35 K CB -0.198 32.378 32.500 0.127 0.000 0.715 35 K HN 0.415 nan 8.250 nan 0.000 0.439 36 W N 1.219 122.576 121.300 0.095 0.000 2.436 36 W HA -0.059 4.601 4.660 0.000 0.000 0.284 36 W C 1.648 178.219 176.519 0.086 0.000 1.225 36 W CA 1.274 58.682 57.345 0.104 0.000 1.271 36 W CB 0.007 29.506 29.460 0.065 0.000 1.114 36 W HN 0.195 nan 8.180 nan 0.000 0.559 37 A N 0.571 123.512 122.820 0.201 0.000 1.933 37 A HA -0.235 4.085 4.320 0.001 0.000 0.218 37 A C 1.915 179.515 177.584 0.028 0.000 1.175 37 A CA 2.652 54.756 52.037 0.112 0.000 0.628 37 A CB -1.265 17.813 19.000 0.130 0.000 0.814 37 A HN 0.347 nan 8.150 nan 0.000 0.444 38 T N -2.401 112.175 114.554 0.036 0.000 3.043 38 T HA 0.083 4.434 4.350 0.001 0.000 0.263 38 T C 1.791 176.456 174.700 -0.058 0.000 1.094 38 T CA 0.943 63.051 62.100 0.014 0.000 1.127 38 T CB -0.338 68.562 68.868 0.053 0.000 0.905 38 T HN 0.300 nan 8.240 nan 0.000 0.490 39 L N 0.155 121.298 121.223 -0.134 0.000 2.093 39 L HA 0.148 4.489 4.340 0.001 0.000 0.208 39 L C 2.272 178.958 176.870 -0.307 0.000 1.085 39 L CA 1.257 55.929 54.840 -0.279 0.000 0.755 39 L CB -0.219 41.541 42.059 -0.499 0.000 0.904 39 L HN 0.273 nan 8.230 nan 0.000 0.435 40 L N -1.555 119.481 121.223 -0.312 0.000 2.162 40 L HA -0.087 4.253 4.340 0.001 0.000 0.205 40 L C 2.332 179.147 176.870 -0.092 0.000 1.086 40 L CA 1.190 55.905 54.840 -0.209 0.000 0.778 40 L CB -0.515 41.448 42.059 -0.160 0.000 0.928 40 L HN 0.165 nan 8.230 nan 0.000 0.446 41 T N -1.606 112.915 114.554 -0.056 0.000 3.042 41 T HA 0.209 4.559 4.350 0.001 0.000 0.245 41 T C 1.216 175.905 174.700 -0.018 0.000 1.029 41 T CA 0.932 63.026 62.100 -0.010 0.000 1.120 41 T CB 0.365 69.255 68.868 0.037 0.000 0.917 41 T HN 0.540 nan 8.240 nan 0.000 0.467 42 G N 0.573 109.357 108.800 -0.028 0.000 2.148 42 G HA2 0.192 4.153 3.960 0.001 0.000 0.203 42 G HA3 0.192 4.153 3.960 0.001 0.000 0.203 42 G C 0.737 175.634 174.900 -0.006 0.000 0.993 42 G CA 0.086 45.171 45.100 -0.025 0.000 0.661 42 G HN 1.238 nan 8.290 nan 0.000 0.518 43 G N 0.011 108.818 108.800 0.012 0.000 2.894 43 G HA2 0.079 4.039 3.960 0.001 0.000 0.247 43 G HA3 0.079 4.039 3.960 0.001 0.000 0.247 43 G C -0.513 174.396 174.900 0.015 0.000 1.442 43 G CA 0.346 45.464 45.100 0.029 0.000 0.897 43 G HN 0.862 nan 8.290 nan 0.000 0.550 44 P HA -0.005 nan 4.420 nan 0.000 0.230 44 P C 1.799 179.086 177.300 -0.023 0.000 1.158 44 P CA 1.910 65.009 63.100 -0.003 0.000 0.769 44 P CB -0.167 31.546 31.700 0.022 0.000 0.807 45 A N 0.745 123.560 122.820 -0.010 0.000 1.940 45 A HA -0.109 4.211 4.320 0.001 0.000 0.219 45 A C 1.460 179.026 177.584 -0.031 0.000 1.176 45 A CA 0.422 52.451 52.037 -0.014 0.000 0.631 45 A CB -1.441 17.558 19.000 -0.002 0.000 0.814 45 A HN 0.189 nan 8.150 nan 0.000 0.446 46 L N 1.108 122.307 121.223 -0.039 0.000 2.720 46 L HA -0.129 4.212 4.340 0.001 0.000 0.289 46 L C -0.093 176.740 176.870 -0.061 0.000 1.232 46 L CA 0.110 54.919 54.840 -0.052 0.000 0.915 46 L CB 0.047 42.071 42.059 -0.059 0.000 1.184 46 L HN 0.349 nan 8.230 nan 0.000 0.491 47 D N 6.888 127.254 120.400 -0.057 0.000 2.485 47 D HA 0.177 4.818 4.640 0.001 0.000 0.221 47 D C -1.378 174.885 176.300 -0.062 0.000 1.112 47 D CA -2.164 51.802 54.000 -0.057 0.000 0.911 47 D CB 1.015 41.784 40.800 -0.052 0.000 1.019 47 D HN 0.217 nan 8.370 nan 0.000 0.516 48 P HA -0.110 nan 4.420 nan 0.000 0.229 48 P C 0.933 178.202 177.300 -0.051 0.000 1.150 48 P CA 0.425 63.488 63.100 -0.061 0.000 0.765 48 P CB 0.290 31.949 31.700 -0.068 0.000 0.783 49 A N -0.052 122.739 122.820 -0.049 0.000 1.968 49 A HA -0.090 4.230 4.320 0.001 0.000 0.217 49 A C 1.370 178.926 177.584 -0.047 0.000 1.169 49 A CA 0.457 52.468 52.037 -0.042 0.000 0.638 49 A CB -1.048 17.930 19.000 -0.038 0.000 0.812 49 A HN 0.142 nan 8.150 nan 0.000 0.446 50 D N 0.596 120.960 120.400 -0.059 0.000 2.533 50 D HA 0.009 4.649 4.640 0.001 0.000 0.236 50 D C 1.536 177.793 176.300 -0.071 0.000 1.137 50 D CA 0.779 54.734 54.000 -0.075 0.000 0.867 50 D CB 0.912 41.652 40.800 -0.100 0.000 1.170 50 D HN 0.345 nan 8.370 nan 0.000 0.474 51 S N 2.958 118.618 115.700 -0.067 0.000 2.382 51 S HA -0.192 4.279 4.470 0.001 0.000 0.228 51 S C 1.190 175.758 174.600 -0.054 0.000 1.027 51 S CA 0.938 59.108 58.200 -0.050 0.000 0.991 51 S CB 0.131 63.309 63.200 -0.037 0.000 0.823 51 S HN 0.556 nan 8.310 nan 0.000 0.469 52 D N 1.201 121.547 120.400 -0.089 0.000 2.213 52 D HA 0.111 4.751 4.640 0.001 0.000 0.205 52 D C 2.032 178.288 176.300 -0.072 0.000 0.961 52 D CA 0.588 54.541 54.000 -0.078 0.000 0.853 52 D CB -0.078 40.624 40.800 -0.163 0.000 0.967 52 D HN 0.343 nan 8.370 nan 0.000 0.496 53 I N 1.676 122.189 120.570 -0.095 0.000 2.226 53 I HA -0.189 3.981 4.170 0.001 0.000 0.245 53 I C 2.596 178.683 176.117 -0.050 0.000 1.100 53 I CA 0.629 61.886 61.300 -0.072 0.000 1.374 53 I CB -1.148 36.806 38.000 -0.077 0.000 1.057 53 I HN -0.137 nan 8.210 nan 0.000 0.413 54 A N 1.101 123.892 122.820 -0.049 0.000 1.877 54 A HA -0.131 4.189 4.320 0.001 0.000 0.216 54 A C 2.627 180.194 177.584 -0.027 0.000 1.186 54 A CA 2.114 54.130 52.037 -0.036 0.000 0.620 54 A CB -0.888 18.091 19.000 -0.035 0.000 0.822 54 A HN 0.408 nan 8.150 nan 0.000 0.443 55 A N -0.298 122.507 122.820 -0.025 0.000 1.873 55 A HA -0.248 4.073 4.320 0.001 0.000 0.218 55 A C 2.208 179.782 177.584 -0.017 0.000 1.193 55 A CA 2.435 54.462 52.037 -0.017 0.000 0.629 55 A CB -0.525 18.469 19.000 -0.009 0.000 0.826 55 A HN 0.451 nan 8.150 nan 0.000 0.447 56 R N -0.641 119.849 120.500 -0.018 0.000 2.083 56 R HA -0.087 4.254 4.340 0.001 0.000 0.237 56 R C 2.291 178.580 176.300 -0.019 0.000 1.137 56 R CA 2.378 58.467 56.100 -0.018 0.000 0.951 56 R CB -1.302 28.987 30.300 -0.020 0.000 0.851 56 R HN 0.528 nan 8.270 nan 0.000 0.434 57 T N 1.003 115.546 114.554 -0.019 0.000 2.684 57 T HA -0.132 4.218 4.350 0.001 0.000 0.267 57 T C 1.119 175.813 174.700 -0.009 0.000 1.036 57 T CA 1.663 63.755 62.100 -0.013 0.000 1.148 57 T CB -0.401 68.456 68.868 -0.018 0.000 0.863 57 T HN 0.309 nan 8.240 nan 0.000 0.436 58 D N 1.051 121.443 120.400 -0.013 0.000 2.104 58 D HA -0.096 4.544 4.640 0.001 0.000 0.194 58 D C 2.280 178.569 176.300 -0.019 0.000 0.994 58 D CA 1.005 54.998 54.000 -0.012 0.000 0.830 58 D CB -0.130 40.661 40.800 -0.014 0.000 0.959 58 D HN 0.265 nan 8.370 nan 0.000 0.452 59 K N 0.540 120.925 120.400 -0.025 0.000 2.026 59 K HA -0.109 4.211 4.320 0.001 0.000 0.208 59 K C 2.241 178.814 176.600 -0.044 0.000 1.048 59 K CA 0.220 56.484 56.287 -0.037 0.000 0.929 59 K CB -0.884 31.596 32.500 -0.034 0.000 0.713 59 K HN 0.157 nan 8.250 nan 0.000 0.439 60 L N 1.272 122.479 121.223 -0.027 0.000 2.012 60 L HA -0.152 4.189 4.340 0.001 0.000 0.210 60 L C 2.283 179.141 176.870 -0.020 0.000 1.073 60 L CA 2.064 56.893 54.840 -0.019 0.000 0.748 60 L CB -0.854 41.205 42.059 -0.001 0.000 0.891 60 L HN 0.196 nan 8.230 nan 0.000 0.431 61 A N -1.308 121.508 122.820 -0.006 0.000 1.877 61 A HA -0.284 4.037 4.320 0.001 0.000 0.216 61 A C 2.292 179.872 177.584 -0.007 0.000 1.186 61 A CA 1.847 53.891 52.037 0.010 0.000 0.620 61 A CB -0.760 18.256 19.000 0.026 0.000 0.822 61 A HN 0.649 nan 8.150 nan 0.000 0.443 62 Q N -0.329 119.452 119.800 -0.032 0.000 1.975 62 Q HA -0.285 4.056 4.340 0.001 0.000 0.205 62 Q C 1.629 177.550 176.000 -0.131 0.000 0.990 62 Q CA 2.294 58.064 55.803 -0.056 0.000 0.845 62 Q CB -0.314 28.388 28.738 -0.059 0.000 0.913 62 Q HN 0.608 nan 8.270 nan 0.000 0.420 63 D N 0.180 120.462 120.400 -0.198 0.000 2.116 63 D HA -0.181 4.459 4.640 0.001 0.000 0.193 63 D C 1.747 177.703 176.300 -0.574 0.000 0.998 63 D CA 1.713 55.450 54.000 -0.438 0.000 0.836 63 D CB -0.336 40.262 40.800 -0.337 0.000 0.951 63 D HN 0.450 nan 8.370 nan 0.000 0.449 64 A N 0.686 123.384 122.820 -0.203 0.000 1.883 64 A HA -0.260 4.060 4.320 0.001 0.000 0.217 64 A C 2.073 179.714 177.584 0.094 0.000 1.186 64 A CA 1.725 53.763 52.037 0.001 0.000 0.624 64 A CB -0.747 18.276 19.000 0.038 0.000 0.822 64 A HN 0.207 nan 8.150 nan 0.000 0.444 65 N N -0.133 118.618 118.700 0.085 0.000 2.084 65 N HA -0.199 4.541 4.740 0.001 0.000 0.190 65 N C 1.473 177.073 175.510 0.151 0.000 1.030 65 N CA 1.763 54.940 53.050 0.211 0.000 0.849 65 N CB -0.385 38.182 38.487 0.134 0.000 1.012 65 N HN 0.405 nan 8.380 nan 0.000 0.423 66 D N -0.348 120.031 120.400 -0.035 0.000 2.149 66 D HA -0.182 4.459 4.640 0.001 0.000 0.194 66 D C 1.616 177.957 176.300 0.068 0.000 1.001 66 D CA 1.187 55.140 54.000 -0.078 0.000 0.849 66 D CB -0.119 40.521 40.800 -0.266 0.000 0.939 66 D HN 0.332 nan 8.370 nan 0.000 0.449 67 Y N -0.955 119.451 120.300 0.176 0.000 2.114 67 Y HA -0.062 4.488 4.550 0.001 0.000 0.284 67 Y C 2.221 178.452 175.900 0.552 0.000 1.119 67 Y CA 0.399 58.678 58.100 0.299 0.000 1.108 67 Y CB -1.486 37.109 38.460 0.225 0.000 0.995 67 Y HN 0.090 nan 8.280 nan 0.000 0.491 68 W N 2.111 123.673 121.300 0.435 0.000 2.277 68 W HA -0.290 4.371 4.660 0.001 0.000 0.327 68 W C 1.609 178.225 176.519 0.162 0.000 1.284 68 W CA 2.297 59.790 57.345 0.247 0.000 1.277 68 W CB -0.570 28.981 29.460 0.151 0.000 1.141 68 W HN 0.228 nan 8.180 nan 0.000 0.482 69 E N 0.135 120.449 120.200 0.190 0.000 2.773 69 E HA -0.042 4.309 4.350 0.001 0.000 0.302 69 E C -0.099 176.545 176.600 0.072 0.000 1.574 69 E CA 0.960 57.333 56.400 -0.046 0.000 1.775 69 E CB -0.761 28.897 29.700 -0.069 0.000 1.413 69 E HN 0.351 nan 8.360 nan 0.000 0.471 70 D N -0.231 120.265 120.400 0.161 0.000 2.456 70 D HA 0.029 4.670 4.640 0.001 0.000 0.530 70 D C -0.062 176.379 176.300 0.237 0.000 1.034 70 D CA -0.126 54.005 54.000 0.219 0.000 1.092 70 D CB -0.019 40.970 40.800 0.315 0.000 1.552 70 D HN 0.169 nan 8.370 nan 0.000 0.388 71 M N 0.773 120.452 119.600 0.132 0.000 2.226 71 M HA 0.188 4.668 4.480 0.001 0.000 0.324 71 M C -0.145 176.062 176.300 -0.156 0.000 1.112 71 M CA 0.152 55.304 55.300 -0.246 0.000 1.176 71 M CB 0.486 32.894 32.600 -0.320 0.000 1.430 71 M HN -0.061 nan 8.290 nan 0.000 0.462 72 D N 1.886 122.148 120.400 -0.229 0.000 2.428 72 D HA 0.167 4.808 4.640 0.001 0.000 0.221 72 D C 0.206 176.374 176.300 -0.220 0.000 1.123 72 D CA -0.253 53.651 54.000 -0.161 0.000 0.869 72 D CB 0.665 41.363 40.800 -0.170 0.000 1.032 72 D HN 0.381 nan 8.370 nan 0.000 0.506 73 L N 2.103 123.239 121.223 -0.146 0.000 2.599 73 L HA 0.104 4.445 4.340 0.001 0.000 0.230 73 L C 0.699 177.512 176.870 -0.095 0.000 1.141 73 L CA 0.273 55.044 54.840 -0.114 0.000 0.877 73 L CB -1.364 40.657 42.059 -0.063 0.000 1.009 73 L HN 0.246 nan 8.230 nan 0.000 0.447 74 S N 0.432 116.065 115.700 -0.112 0.000 2.563 74 S HA -0.070 4.401 4.470 0.001 0.000 0.294 74 S C 1.624 176.193 174.600 -0.052 0.000 1.279 74 S CA 0.519 58.669 58.200 -0.082 0.000 1.069 74 S CB 1.139 64.277 63.200 -0.103 0.000 0.828 74 S HN 0.454 nan 8.310 nan 0.000 0.497 75 S N 2.878 118.569 115.700 -0.014 0.000 2.374 75 S HA -0.147 4.324 4.470 0.001 0.000 0.227 75 S C 1.519 176.155 174.600 0.059 0.000 1.037 75 S CA 1.762 59.978 58.200 0.027 0.000 1.024 75 S CB -0.189 63.024 63.200 0.022 0.000 0.861 75 S HN 0.620 nan 8.310 nan 0.000 0.456 76 S N 1.920 117.638 115.700 0.029 0.000 2.526 76 S HA 0.275 4.745 4.470 0.001 0.000 0.247 76 S C 0.335 174.953 174.600 0.030 0.000 1.076 76 S CA -0.913 57.317 58.200 0.050 0.000 1.105 76 S CB -0.556 62.656 63.200 0.021 0.000 0.793 76 S HN 0.653 nan 8.310 nan 0.000 0.458 77 R N -0.184 120.319 120.500 0.005 0.000 2.694 77 R HA 0.228 4.568 4.340 0.001 0.000 0.268 77 R C 0.091 176.402 176.300 0.018 0.000 1.061 77 R CA -0.058 55.944 56.100 -0.164 0.000 1.133 77 R CB -0.135 29.942 30.300 -0.373 0.000 1.020 77 R HN 0.043 nan 8.270 nan 0.000 0.475 78 T N 0.686 115.132 114.554 -0.180 0.000 3.023 78 T HA 0.115 4.465 4.350 0.001 0.000 0.253 78 T C -0.928 173.867 174.700 0.158 0.000 1.038 78 T CA 0.115 62.288 62.100 0.121 0.000 0.962 78 T CB -0.252 68.645 68.868 0.048 0.000 1.018 78 T HN 0.699 nan 8.240 nan 0.000 0.521 79 Y N -2.123 118.078 120.300 -0.165 0.000 2.677 79 Y HA 0.569 5.120 4.550 0.001 0.000 0.334 79 Y C 0.214 175.729 175.900 -0.642 0.000 1.196 79 Y CA -2.071 55.800 58.100 -0.382 0.000 1.059 79 Y CB 0.275 38.674 38.460 -0.103 0.000 1.315 79 Y HN -0.082 nan 8.280 nan 0.000 0.455 80 I N -0.223 120.115 120.570 -0.388 0.000 2.867 80 I HA 0.204 4.375 4.170 0.001 0.000 0.265 80 I C -0.729 175.111 176.117 -0.463 0.000 1.162 80 I CA 0.463 61.403 61.300 -0.600 0.000 1.471 80 I CB 0.389 37.922 38.000 -0.778 0.000 1.123 80 I HN 0.494 nan 8.210 nan 0.000 0.440 81 W N -0.332 120.986 121.300 0.029 0.000 2.900 81 W HA 0.152 4.812 4.660 0.001 0.000 0.336 81 W C 0.415 176.745 176.519 -0.315 0.000 1.064 81 W CA -1.229 56.089 57.345 -0.044 0.000 1.237 81 W CB 0.550 29.948 29.460 -0.103 0.000 1.391 81 W HN 0.008 nan 8.180 nan 0.000 0.468 82 Y N 3.608 123.700 120.300 -0.347 0.000 2.040 82 Y HA -0.339 4.212 4.550 0.001 0.000 0.275 82 Y C 2.169 177.839 175.900 -0.383 0.000 1.171 82 Y CA 3.708 61.349 58.100 -0.764 0.000 1.123 82 Y CB -0.574 37.690 38.460 -0.327 0.000 0.963 82 Y HN 0.466 nan 8.280 nan 0.000 0.493 83 A N -0.132 122.636 122.820 -0.086 0.000 1.958 83 A HA -0.216 4.104 4.320 0.001 0.000 0.221 83 A C 2.040 179.506 177.584 -0.197 0.000 1.178 83 A CA 2.195 54.150 52.037 -0.138 0.000 0.642 83 A CB -1.130 17.847 19.000 -0.040 0.000 0.816 83 A HN 0.553 nan 8.150 nan 0.000 0.453 84 L N -0.021 121.119 121.223 -0.138 0.000 2.700 84 L HA 0.114 4.455 4.340 0.001 0.000 0.234 84 L C 1.042 177.860 176.870 -0.088 0.000 1.156 84 L CA -0.458 54.321 54.840 -0.102 0.000 0.946 84 L CB -0.080 41.954 42.059 -0.042 0.000 1.216 84 L HN 0.419 nan 8.230 nan 0.000 0.493 85 R N 0.333 120.715 120.500 -0.196 0.000 2.817 85 R HA 0.329 4.670 4.340 0.001 0.000 0.264 85 R C 0.212 176.503 176.300 -0.015 0.000 1.009 85 R CA 0.521 56.556 56.100 -0.108 0.000 1.133 85 R CB -0.168 29.975 30.300 -0.262 0.000 1.013 85 R HN 0.099 nan 8.270 nan 0.000 0.453 86 G N 1.762 110.614 108.800 0.087 0.000 2.599 86 G HA2 -0.159 3.802 3.960 0.001 0.000 0.440 86 G HA3 -0.159 3.802 3.960 0.001 0.000 0.440 86 G C -0.160 174.834 174.900 0.157 0.000 1.018 86 G CA -0.357 44.805 45.100 0.102 0.000 1.311 86 G HN 0.714 nan 8.290 nan 0.000 0.604 87 N N 0.088 118.912 118.700 0.206 0.000 2.588 87 N HA -0.098 4.642 4.740 0.001 0.000 0.190 87 N C 2.117 177.789 175.510 0.270 0.000 1.094 87 N CA 1.409 54.610 53.050 0.251 0.000 0.921 87 N CB 0.185 38.810 38.487 0.230 0.000 0.959 87 N HN 0.766 nan 8.380 nan 0.000 0.448 88 G N -0.360 108.577 108.800 0.228 0.000 2.662 88 G HA2 -0.041 3.920 3.960 0.001 0.000 0.212 88 G HA3 -0.041 3.920 3.960 0.001 0.000 0.212 88 G C 0.417 175.517 174.900 0.334 0.000 1.141 88 G CA 0.082 45.340 45.100 0.263 0.000 0.797 88 G HN 0.139 nan 8.290 nan 0.000 0.531 89 T N 1.788 116.487 114.554 0.241 0.000 2.747 89 T HA 0.320 4.671 4.350 0.001 0.000 0.301 89 T C 1.784 176.528 174.700 0.073 0.000 0.952 89 T CA 0.316 62.529 62.100 0.188 0.000 0.983 89 T CB 1.443 70.373 68.868 0.102 0.000 0.930 89 T HN 0.283 nan 8.240 nan 0.000 0.494 90 S N 2.887 118.592 115.700 0.007 0.000 2.392 90 S HA -0.240 4.230 4.470 0.001 0.000 0.232 90 S C 1.415 175.641 174.600 -0.622 0.000 1.041 90 S CA 1.547 59.399 58.200 -0.580 0.000 1.026 90 S CB -0.384 62.322 63.200 -0.823 0.000 0.845 90 S HN 0.630 nan 8.310 nan 0.000 0.465 91 D N 1.989 122.188 120.400 -0.335 0.000 2.104 91 D HA -0.067 4.573 4.640 0.001 0.000 0.194 91 D C 2.014 178.105 176.300 -0.348 0.000 0.994 91 D CA 1.597 55.368 54.000 -0.380 0.000 0.830 91 D CB -0.513 40.230 40.800 -0.094 0.000 0.959 91 D HN 0.656 nan 8.370 nan 0.000 0.452 92 N N -0.555 118.026 118.700 -0.199 0.000 2.106 92 N HA -0.108 4.633 4.740 0.001 0.000 0.188 92 N C 1.823 177.247 175.510 -0.142 0.000 1.029 92 N CA 0.786 53.750 53.050 -0.143 0.000 0.848 92 N CB 0.158 38.609 38.487 -0.060 0.000 1.007 92 N HN -0.012 nan 8.380 nan 0.000 0.423 93 V N 1.868 121.704 119.914 -0.130 0.000 2.332 93 V HA -0.247 3.874 4.120 0.001 0.000 0.248 93 V C 2.131 178.172 176.094 -0.089 0.000 1.055 93 V CA 1.436 63.709 62.300 -0.044 0.000 1.038 93 V CB -0.744 31.091 31.823 0.020 0.000 0.651 93 V HN 0.460 nan 8.190 nan 0.000 0.450 94 N N 0.608 119.087 118.700 -0.368 0.000 2.166 94 N HA -0.177 4.563 4.740 0.001 0.000 0.186 94 N C 1.827 177.204 175.510 -0.222 0.000 1.019 94 N CA 1.632 54.446 53.050 -0.393 0.000 0.856 94 N CB 0.013 38.029 38.487 -0.785 0.000 0.993 94 N HN 0.485 nan 8.380 nan 0.000 0.426 95 A N 0.908 123.576 122.820 -0.253 0.000 1.968 95 A HA -0.054 4.267 4.320 0.001 0.000 0.217 95 A C 2.364 179.814 177.584 -0.225 0.000 1.169 95 A CA 1.430 53.320 52.037 -0.244 0.000 0.638 95 A CB -0.682 18.156 19.000 -0.270 0.000 0.812 95 A HN 0.309 nan 8.150 nan 0.000 0.446 96 V N -3.730 116.106 119.914 -0.131 0.000 2.667 96 V HA -0.176 3.944 4.120 0.001 0.000 0.252 96 V C 2.102 178.139 176.094 -0.095 0.000 1.065 96 V CA 1.646 63.919 62.300 -0.045 0.000 1.083 96 V CB -1.227 30.618 31.823 0.036 0.000 0.692 96 V HN 0.507 nan 8.190 nan 0.000 0.468 97 Y N 1.309 121.551 120.300 -0.096 0.000 2.243 97 Y HA 0.030 4.581 4.550 0.001 0.000 0.293 97 Y C 2.756 178.593 175.900 -0.104 0.000 1.124 97 Y CA 1.998 60.039 58.100 -0.098 0.000 1.159 97 Y CB -0.124 38.231 38.460 -0.174 0.000 1.008 97 Y HN 0.267 nan 8.280 nan 0.000 0.527 98 E N -0.159 120.035 120.200 -0.011 0.000 2.077 98 E HA -0.223 4.127 4.350 0.001 0.000 0.193 98 E C 2.288 178.823 176.600 -0.109 0.000 0.989 98 E CA 0.875 57.235 56.400 -0.066 0.000 0.800 98 E CB -0.122 29.502 29.700 -0.126 0.000 0.746 98 E HN 0.363 nan 8.360 nan 0.000 0.452 99 R N 0.512 120.859 120.500 -0.256 0.000 2.094 99 R HA -0.163 4.177 4.340 0.001 0.000 0.239 99 R C 2.547 178.802 176.300 -0.075 0.000 1.137 99 R CA 1.156 56.994 56.100 -0.437 0.000 0.943 99 R CB -0.607 29.082 30.300 -1.017 0.000 0.850 99 R HN 0.232 nan 8.270 nan 0.000 0.433 100 L N 0.061 121.303 121.223 0.031 0.000 2.042 100 L HA -0.207 4.134 4.340 0.001 0.000 0.210 100 L C 2.867 179.769 176.870 0.053 0.000 1.076 100 L CA 1.415 56.302 54.840 0.078 0.000 0.749 100 L CB -0.518 41.550 42.059 0.015 0.000 0.893 100 L HN 0.235 nan 8.230 nan 0.000 0.432 101 R N -0.250 120.278 120.500 0.047 0.000 2.105 101 R HA -0.171 4.169 4.340 0.001 0.000 0.239 101 R C 2.168 178.500 176.300 0.052 0.000 1.135 101 R CA 2.030 58.163 56.100 0.054 0.000 0.967 101 R CB -0.284 30.048 30.300 0.054 0.000 0.861 101 R HN 0.275 nan 8.270 nan 0.000 0.442 102 T N 1.013 115.603 114.554 0.060 0.000 2.746 102 T HA -0.122 4.228 4.350 0.001 0.000 0.267 102 T C 1.786 176.540 174.700 0.090 0.000 1.039 102 T CA 1.736 63.889 62.100 0.089 0.000 1.142 102 T CB -0.073 68.897 68.868 0.170 0.000 0.866 102 T HN 0.280 nan 8.240 nan 0.000 0.444 103 M N 0.726 120.389 119.600 0.105 0.000 2.254 103 M HA 0.051 4.532 4.480 0.001 0.000 0.265 103 M C 2.785 179.077 176.300 -0.015 0.000 1.066 103 M CA 1.094 56.424 55.300 0.050 0.000 1.123 103 M CB -0.392 32.239 32.600 0.052 0.000 1.388 103 M HN 0.276 nan 8.290 nan 0.000 0.425 104 A N 0.920 123.743 122.820 0.006 0.000 1.877 104 A HA -0.128 4.193 4.320 0.001 0.000 0.216 104 A C 2.111 179.702 177.584 0.012 0.000 1.186 104 A CA 1.440 53.477 52.037 0.000 0.000 0.620 104 A CB -0.892 18.126 19.000 0.030 0.000 0.822 104 A HN 0.428 nan 8.150 nan 0.000 0.443 105 L N -0.753 120.488 121.223 0.030 0.000 1.994 105 L HA -0.181 4.159 4.340 0.001 0.000 0.208 105 L C 3.054 179.947 176.870 0.040 0.000 1.071 105 L CA 1.166 56.028 54.840 0.037 0.000 0.745 105 L CB -0.585 41.493 42.059 0.032 0.000 0.892 105 L HN 0.409 nan 8.230 nan 0.000 0.431 106 A N -0.258 122.579 122.820 0.028 0.000 2.131 106 A HA -0.129 4.191 4.320 0.001 0.000 0.220 106 A C 2.311 179.912 177.584 0.027 0.000 1.158 106 A CA 1.747 53.803 52.037 0.030 0.000 0.665 106 A CB -0.562 18.448 19.000 0.017 0.000 0.795 106 A HN 0.453 nan 8.150 nan 0.000 0.460 107 A N -2.488 120.322 122.820 -0.016 0.000 2.147 107 A HA 0.216 4.536 4.320 0.001 0.000 0.211 107 A C 1.995 179.531 177.584 -0.079 0.000 1.160 107 A CA 1.536 53.528 52.037 -0.075 0.000 0.781 107 A CB -0.170 18.747 19.000 -0.138 0.000 0.842 107 A HN 0.326 nan 8.150 nan 0.000 0.475 108 T N -1.185 113.383 114.554 0.023 0.000 3.000 108 T HA 0.113 4.464 4.350 0.001 0.000 0.248 108 T C 0.921 175.789 174.700 0.281 0.000 1.034 108 T CA 0.998 63.145 62.100 0.079 0.000 1.060 108 T CB 0.063 68.969 68.868 0.063 0.000 0.983 108 T HN 0.388 nan 8.240 nan 0.000 0.482 109 T N 2.714 117.409 114.554 0.235 0.000 2.780 109 T HA 0.403 4.754 4.350 0.001 0.000 0.294 109 T C 0.053 174.832 174.700 0.131 0.000 0.949 109 T CA -0.479 61.724 62.100 0.170 0.000 1.074 109 T CB 0.372 69.282 68.868 0.069 0.000 0.910 109 T HN -0.085 nan 8.240 nan 0.000 0.501 110 V N 5.625 125.470 119.914 -0.115 0.000 2.599 110 V HA 0.413 4.534 4.120 0.001 0.000 0.300 110 V C 1.781 177.733 176.094 -0.237 0.000 1.034 110 V CA 1.365 63.388 62.300 -0.463 0.000 1.115 110 V CB 0.404 31.986 31.823 -0.402 0.000 0.934 110 V HN 1.308 nan 8.190 nan 0.000 0.485 111 G N 3.603 112.258 108.800 -0.241 0.000 2.213 111 G HA2 -0.232 3.729 3.960 0.001 0.000 0.226 111 G HA3 -0.232 3.729 3.960 0.001 0.000 0.226 111 G C 0.468 175.349 174.900 -0.031 0.000 0.992 111 G CA 0.174 45.209 45.100 -0.108 0.000 0.632 111 G HN 1.017 nan 8.290 nan 0.000 0.511 112 S N 0.439 116.149 115.700 0.017 0.000 2.548 112 S HA 0.543 5.014 4.470 0.001 0.000 0.277 112 S C 1.795 176.450 174.600 0.091 0.000 1.315 112 S CA 0.803 59.042 58.200 0.066 0.000 1.050 112 S CB 1.072 64.335 63.200 0.105 0.000 0.918 112 S HN 0.630 nan 8.310 nan 0.000 0.497 113 S N 3.959 119.699 115.700 0.068 0.000 2.465 113 S HA -0.035 4.436 4.470 0.001 0.000 0.241 113 S C 1.031 175.691 174.600 0.100 0.000 1.000 113 S CA 0.978 59.223 58.200 0.075 0.000 0.964 113 S CB -0.369 62.869 63.200 0.063 0.000 0.763 113 S HN 0.744 nan 8.310 nan 0.000 0.512 114 L N -0.236 121.047 121.223 0.100 0.000 3.066 114 L HA 0.380 4.721 4.340 0.001 0.000 0.265 114 L C -0.076 176.833 176.870 0.065 0.000 1.232 114 L CA -0.547 54.337 54.840 0.075 0.000 1.031 114 L CB -0.284 41.789 42.059 0.023 0.000 1.379 114 L HN 0.171 nan 8.230 nan 0.000 0.563 115 Y N 1.678 121.978 120.300 0.001 0.000 2.620 115 Y HA 0.300 4.850 4.550 0.000 0.000 0.330 115 Y C 1.552 177.453 175.900 0.001 0.000 1.186 115 Y CA 1.182 59.281 58.100 -0.002 0.000 1.467 115 Y CB 0.887 39.350 38.460 0.005 0.000 1.262 115 Y HN 0.339 nan 8.280 nan 0.000 0.550 116 G N 4.157 112.541 108.800 -0.692 0.000 2.353 116 G HA2 -0.424 3.537 3.960 0.001 0.000 0.258 116 G HA3 -0.424 3.537 3.960 0.001 0.000 0.258 116 G C 0.611 175.389 174.900 -0.202 0.000 1.013 116 G CA 0.369 45.181 45.100 -0.479 0.000 0.622 116 G HN 0.896 nan 8.290 nan 0.000 0.535 117 N N 1.686 120.312 118.700 -0.124 0.000 2.292 117 N HA 0.189 4.930 4.740 0.001 0.000 0.284 117 N C 1.712 177.170 175.510 -0.087 0.000 1.387 117 N CA 1.136 54.150 53.050 -0.061 0.000 0.961 117 N CB 0.179 38.643 38.487 -0.039 0.000 1.356 117 N HN 0.758 nan 8.380 nan 0.000 0.491 118 A N 4.103 126.895 122.820 -0.046 0.000 1.940 118 A HA -0.199 4.122 4.320 0.001 0.000 0.219 118 A C 1.760 179.336 177.584 -0.014 0.000 1.176 118 A CA 1.675 53.690 52.037 -0.037 0.000 0.631 118 A CB -0.252 18.741 19.000 -0.013 0.000 0.814 118 A HN 0.670 nan 8.150 nan 0.000 0.446 119 D N -0.585 119.842 120.400 0.045 0.000 2.092 119 D HA -0.161 4.479 4.640 0.001 0.000 0.193 119 D C 1.827 178.164 176.300 0.063 0.000 0.994 119 D CA 1.431 55.512 54.000 0.134 0.000 0.828 119 D CB -0.330 40.647 40.800 0.296 0.000 0.963 119 D HN 0.325 nan 8.370 nan 0.000 0.450 120 L N 1.294 122.398 121.223 -0.198 0.000 2.013 120 L HA -0.216 4.125 4.340 0.001 0.000 0.212 120 L C 1.712 178.354 176.870 -0.380 0.000 1.073 120 L CA 1.902 56.302 54.840 -0.733 0.000 0.753 120 L CB -0.532 40.921 42.059 -1.010 0.000 0.890 120 L HN -0.049 nan 8.230 nan 0.000 0.432 121 K N -0.685 119.580 120.400 -0.224 0.000 2.074 121 K HA -0.262 4.058 4.320 0.001 0.000 0.209 121 K C 2.052 178.609 176.600 -0.070 0.000 1.048 121 K CA 1.650 57.859 56.287 -0.129 0.000 0.926 121 K CB -0.273 32.175 32.500 -0.088 0.000 0.713 121 K HN 0.334 nan 8.250 nan 0.000 0.444 122 E N 1.682 121.860 120.200 -0.037 0.000 2.023 122 E HA -0.209 4.141 4.350 0.001 0.000 0.196 122 E C 1.592 178.203 176.600 0.018 0.000 1.003 122 E CA 1.840 58.246 56.400 0.009 0.000 0.809 122 E CB -0.246 29.476 29.700 0.037 0.000 0.755 122 E HN 0.152 nan 8.360 nan 0.000 0.449 123 D N 0.049 120.466 120.400 0.027 0.000 2.116 123 D HA -0.185 4.455 4.640 0.001 0.000 0.193 123 D C 2.151 178.437 176.300 -0.023 0.000 0.998 123 D CA 1.409 55.435 54.000 0.043 0.000 0.836 123 D CB -0.349 40.548 40.800 0.163 0.000 0.951 123 D HN 0.314 nan 8.370 nan 0.000 0.449 124 I N 0.541 121.068 120.570 -0.072 0.000 2.118 124 I HA -0.293 3.878 4.170 0.001 0.000 0.241 124 I C 2.532 178.637 176.117 -0.021 0.000 1.070 124 I CA 0.901 62.161 61.300 -0.066 0.000 1.327 124 I CB -0.343 37.610 38.000 -0.078 0.000 1.034 124 I HN -0.004 nan 8.210 nan 0.000 0.405 125 L N 0.247 121.479 121.223 0.015 0.000 2.042 125 L HA -0.273 4.068 4.340 0.001 0.000 0.210 125 L C 2.268 179.204 176.870 0.111 0.000 1.076 125 L CA 1.391 56.280 54.840 0.083 0.000 0.749 125 L CB -0.713 41.402 42.059 0.094 0.000 0.893 125 L HN 0.293 nan 8.230 nan 0.000 0.432 126 D N -0.033 120.413 120.400 0.078 0.000 2.117 126 D HA -0.179 4.461 4.640 0.001 0.000 0.197 126 D C 2.227 178.601 176.300 0.123 0.000 0.987 126 D CA 1.560 55.621 54.000 0.102 0.000 0.829 126 D CB 0.001 40.842 40.800 0.067 0.000 0.961 126 D HN 0.356 nan 8.370 nan 0.000 0.460 127 A N 0.915 123.753 122.820 0.030 0.000 1.908 127 A HA -0.151 4.170 4.320 0.001 0.000 0.218 127 A C 2.454 180.088 177.584 0.083 0.000 1.181 127 A CA 0.984 53.009 52.037 -0.021 0.000 0.627 127 A CB -0.771 18.128 19.000 -0.169 0.000 0.818 127 A HN 0.201 nan 8.150 nan 0.000 0.445 128 L N -0.446 120.810 121.223 0.054 0.000 1.994 128 L HA -0.207 4.133 4.340 0.001 0.000 0.208 128 L C 2.231 179.264 176.870 0.272 0.000 1.071 128 L CA 1.621 56.495 54.840 0.057 0.000 0.745 128 L CB -0.889 41.077 42.059 -0.156 0.000 0.892 128 L HN 0.343 nan 8.230 nan 0.000 0.431 129 D N -0.623 119.979 120.400 0.336 0.000 2.133 129 D HA -0.262 4.379 4.640 0.001 0.000 0.195 129 D C 1.818 178.316 176.300 0.331 0.000 0.997 129 D CA 1.453 55.673 54.000 0.368 0.000 0.840 129 D CB -0.300 40.657 40.800 0.263 0.000 0.947 129 D HN 0.455 nan 8.370 nan 0.000 0.452 130 W N 1.012 122.385 121.300 0.123 0.000 2.342 130 W HA -0.170 4.491 4.660 0.001 0.000 0.297 130 W C 1.940 178.518 176.519 0.098 0.000 1.213 130 W CA 0.874 58.264 57.345 0.076 0.000 1.251 130 W CB -0.158 29.308 29.460 0.010 0.000 1.136 130 W HN -0.081 nan 8.180 nan 0.000 0.526 131 L N -0.805 120.693 121.223 0.457 0.000 2.270 131 L HA -0.128 4.213 4.340 0.001 0.000 0.210 131 L C 2.130 179.187 176.870 0.312 0.000 1.104 131 L CA 1.091 56.169 54.840 0.396 0.000 0.804 131 L CB -1.464 40.818 42.059 0.372 0.000 0.937 131 L HN 0.080 nan 8.230 nan 0.000 0.450 132 Y N -0.398 120.039 120.300 0.228 0.000 2.128 132 Y HA -0.260 4.291 4.550 0.001 0.000 0.284 132 Y C 2.455 178.387 175.900 0.054 0.000 1.154 132 Y CA 2.020 60.235 58.100 0.191 0.000 1.149 132 Y CB -0.386 38.194 38.460 0.201 0.000 0.976 132 Y HN 0.016 nan 8.280 nan 0.000 0.505 133 V N 0.307 120.037 119.914 -0.307 0.000 2.500 133 V HA -0.119 4.001 4.120 0.001 0.000 0.243 133 V C 1.494 177.362 176.094 -0.377 0.000 1.039 133 V CA 2.189 64.218 62.300 -0.452 0.000 1.053 133 V CB -0.488 31.162 31.823 -0.288 0.000 0.695 133 V HN 0.567 nan 8.190 nan 0.000 0.463 134 N N -0.530 117.901 118.700 -0.447 0.000 2.416 134 N HA -0.027 4.713 4.740 0.001 0.000 0.177 134 N C 1.526 176.928 175.510 -0.179 0.000 1.036 134 N CA 1.107 53.859 53.050 -0.496 0.000 0.901 134 N CB 0.369 38.098 38.487 -1.263 0.000 0.976 134 N HN 0.511 nan 8.380 nan 0.000 0.444 135 S N -1.139 114.558 115.700 -0.005 0.000 3.102 135 S HA 0.072 4.543 4.470 0.001 0.000 0.265 135 S C -0.724 174.068 174.600 0.321 0.000 1.072 135 S CA -0.603 57.713 58.200 0.193 0.000 0.946 135 S CB 0.040 63.445 63.200 0.342 0.000 0.901 135 S HN 0.294 nan 8.310 nan 0.000 0.437 136 Y N 4.767 125.207 120.300 0.232 0.000 2.478 136 Y HA 0.591 5.142 4.550 0.001 0.000 0.329 136 Y C -0.291 175.780 175.900 0.285 0.000 0.967 136 Y CA -0.439 57.855 58.100 0.323 0.000 1.255 136 Y CB 0.311 39.051 38.460 0.467 0.000 1.103 136 Y HN 0.544 nan 8.280 nan 0.000 0.497 137 N N 0.532 119.202 118.700 -0.050 0.000 3.378 137 N HA 0.010 4.751 4.740 0.001 0.000 0.294 137 N C -0.320 175.045 175.510 -0.242 0.000 1.544 137 N CA -0.198 52.755 53.050 -0.162 0.000 0.872 137 N CB 0.677 38.910 38.487 -0.422 0.000 1.670 137 N HN 0.357 nan 8.380 nan 0.000 0.551 138 S N -1.239 114.209 115.700 -0.419 0.000 2.595 138 S HA -0.035 4.436 4.470 0.001 0.000 0.235 138 S C 1.212 175.370 174.600 -0.736 0.000 0.974 138 S CA 1.141 58.782 58.200 -0.932 0.000 0.942 138 S CB -0.643 62.060 63.200 -0.828 0.000 0.766 138 S HN 0.614 nan 8.310 nan 0.000 0.536 139 T N 2.267 116.586 114.554 -0.392 0.000 2.809 139 T HA 0.047 4.397 4.350 0.001 0.000 0.260 139 T C 0.947 175.545 174.700 -0.170 0.000 1.039 139 T CA 0.566 62.510 62.100 -0.259 0.000 1.141 139 T CB -0.109 68.641 68.868 -0.197 0.000 0.869 139 T HN 0.491 nan 8.240 nan 0.000 0.437 140 R N 2.082 122.520 120.500 -0.104 0.000 2.734 140 R HA 0.263 4.603 4.340 0.001 0.000 0.266 140 R C 0.113 176.449 176.300 0.060 0.000 1.044 140 R CA -0.139 55.927 56.100 -0.057 0.000 1.128 140 R CB 0.179 30.392 30.300 -0.145 0.000 1.010 140 R HN 0.156 nan 8.270 nan 0.000 0.461 141 S N 1.685 117.394 115.700 0.016 0.000 2.549 141 S HA 0.064 4.534 4.470 0.001 0.000 0.279 141 S C 1.219 175.931 174.600 0.187 0.000 1.321 141 S CA -0.424 57.827 58.200 0.086 0.000 1.054 141 S CB 0.980 64.215 63.200 0.058 0.000 0.899 141 S HN 0.493 nan 8.310 nan 0.000 0.497 142 R N 1.272 121.869 120.500 0.162 0.000 2.285 142 R HA -0.011 4.329 4.340 0.001 0.000 0.213 142 R C 1.558 178.021 176.300 0.272 0.000 1.068 142 R CA 0.725 56.968 56.100 0.237 0.000 1.004 142 R CB -0.057 30.192 30.300 -0.084 0.000 0.873 142 R HN 0.490 nan 8.270 nan 0.000 0.467 143 S N -0.022 115.794 115.700 0.194 0.000 2.593 143 S HA 0.315 4.785 4.470 0.001 0.000 0.236 143 S C 0.449 175.212 174.600 0.272 0.000 0.991 143 S CA -0.360 57.971 58.200 0.218 0.000 0.963 143 S CB 0.182 63.453 63.200 0.118 0.000 0.865 143 S HN 0.343 nan 8.310 nan 0.000 0.488 144 A N 1.028 123.990 122.820 0.237 0.000 2.482 144 A HA 0.241 4.561 4.320 0.001 0.000 0.249 144 A C -0.011 177.874 177.584 0.501 0.000 1.114 144 A CA -0.026 52.170 52.037 0.265 0.000 0.797 144 A CB -0.390 18.592 19.000 -0.031 0.000 1.067 144 A HN 0.647 nan 8.150 nan 0.000 0.514 145 Y N 1.524 122.072 120.300 0.414 0.000 2.632 145 Y HA 0.108 4.659 4.550 0.001 0.000 0.329 145 Y C 0.716 176.838 175.900 0.370 0.000 1.174 145 Y CA 0.793 59.105 58.100 0.353 0.000 1.469 145 Y CB -0.249 38.361 38.460 0.250 0.000 1.242 145 Y HN 0.776 nan 8.280 nan 0.000 0.540 146 N N 6.236 124.527 118.700 -0.682 0.000 2.590 146 N HA -0.208 4.533 4.740 0.001 0.000 0.273 146 N C 0.506 175.794 175.510 -0.370 0.000 1.210 146 N CA 0.880 53.457 53.050 -0.789 0.000 0.676 146 N CB -0.864 36.961 38.487 -1.103 0.000 0.881 146 N HN 0.987 nan 8.380 nan 0.000 0.550 147 W N -0.093 121.205 121.300 -0.004 0.000 2.374 147 W HA -0.115 4.545 4.660 0.001 0.000 0.288 147 W C 1.728 178.224 176.519 -0.040 0.000 1.218 147 W CA 0.574 57.993 57.345 0.124 0.000 1.245 147 W CB -1.319 28.210 29.460 0.115 0.000 1.126 147 W HN 0.571 nan 8.180 nan 0.000 0.545 148 W N 2.238 122.577 121.300 -1.602 0.000 2.305 148 W HA -0.269 4.392 4.660 0.001 0.000 0.308 148 W C 2.669 178.703 176.519 -0.809 0.000 1.226 148 W CA 3.371 59.845 57.345 -1.452 0.000 1.253 148 W CB -0.996 27.562 29.460 -1.504 0.000 1.146 148 W HN 0.017 nan 8.180 nan 0.000 0.507 149 H N -2.836 115.909 119.070 -0.542 0.000 2.299 149 H HA -0.171 4.386 4.556 0.001 0.000 0.302 149 H C 1.953 176.831 175.328 -0.750 0.000 1.078 149 H CA 1.921 57.564 56.048 -0.676 0.000 1.323 149 H CB -0.884 28.378 29.762 -0.834 0.000 1.381 149 H HN 0.199 nan 8.280 nan 0.000 0.498 150 W N 1.102 122.231 121.300 -0.284 0.000 2.388 150 W HA -0.120 4.540 4.660 0.001 0.000 0.294 150 W C 2.137 178.337 176.519 -0.530 0.000 1.212 150 W CA 0.575 57.639 57.345 -0.469 0.000 1.271 150 W CB 0.130 29.383 29.460 -0.346 0.000 1.126 150 W HN 0.273 nan 8.180 nan 0.000 0.535 151 Q N -0.798 118.947 119.800 -0.092 0.000 2.391 151 Q HA 0.133 4.473 4.340 0.001 0.000 0.211 151 Q C 1.776 177.637 176.000 -0.231 0.000 0.908 151 Q CA 0.632 56.424 55.803 -0.018 0.000 0.920 151 Q CB 0.279 29.154 28.738 0.228 0.000 1.056 151 Q HN 0.383 nan 8.270 nan 0.000 0.523 152 L N -1.947 118.897 121.223 -0.632 0.000 2.691 152 L HA 0.296 4.637 4.340 0.001 0.000 0.185 152 L C 2.184 178.430 176.870 -1.041 0.000 1.081 152 L CA 0.548 54.864 54.840 -0.874 0.000 0.865 152 L CB -0.631 40.633 42.059 -1.325 0.000 1.370 152 L HN 0.151 nan 8.230 nan 0.000 0.488 153 G N 1.528 109.408 108.800 -1.533 0.000 2.514 153 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 153 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 153 G C 1.466 176.024 174.900 -0.570 0.000 1.198 153 G CA 0.965 45.471 45.100 -0.989 0.000 0.780 153 G HN 0.111 nan 8.290 nan 0.000 0.565 154 I N 2.305 122.492 120.570 -0.639 0.000 2.142 154 I HA -0.096 4.075 4.170 0.001 0.000 0.240 154 I C 0.204 175.923 176.117 -0.664 0.000 1.078 154 I CA 1.395 62.203 61.300 -0.820 0.000 1.343 154 I CB -2.112 35.140 38.000 -1.247 0.000 1.046 154 I HN 0.191 nan 8.210 nan 0.000 0.405 155 P HA -0.171 nan 4.420 nan 0.000 0.216 155 P C 2.058 179.264 177.300 -0.156 0.000 1.150 155 P CA 1.674 64.655 63.100 -0.197 0.000 0.837 155 P CB -0.067 31.586 31.700 -0.078 0.000 0.786 156 M N -0.546 118.936 119.600 -0.198 0.000 2.117 156 M HA -0.111 4.370 4.480 0.001 0.000 0.262 156 M C 2.384 178.670 176.300 -0.023 0.000 1.065 156 M CA 1.734 56.984 55.300 -0.084 0.000 1.114 156 M CB -0.677 31.870 32.600 -0.089 0.000 1.361 156 M HN -0.082 nan 8.290 nan 0.000 0.408 157 S N 0.605 116.257 115.700 -0.080 0.000 2.355 157 S HA -0.094 4.377 4.470 0.001 0.000 0.222 157 S C 1.769 176.388 174.600 0.032 0.000 1.031 157 S CA 0.843 59.040 58.200 -0.006 0.000 0.993 157 S CB -0.378 62.816 63.200 -0.010 0.000 0.859 157 S HN 0.368 nan 8.310 nan 0.000 0.453 158 L N 2.748 123.949 121.223 -0.037 0.000 1.990 158 L HA -0.181 4.160 4.340 0.001 0.000 0.213 158 L C 1.895 178.800 176.870 0.059 0.000 1.072 158 L CA 1.926 56.778 54.840 0.019 0.000 0.755 158 L CB -1.653 40.387 42.059 -0.031 0.000 0.889 158 L HN 0.276 nan 8.230 nan 0.000 0.432 159 N N 0.555 119.284 118.700 0.048 0.000 2.036 159 N HA -0.220 4.520 4.740 0.001 0.000 0.195 159 N C 1.467 177.054 175.510 0.128 0.000 1.037 159 N CA 1.836 54.925 53.050 0.065 0.000 0.855 159 N CB -0.502 37.987 38.487 0.004 0.000 1.033 159 N HN 0.397 nan 8.380 nan 0.000 0.423 160 D N 0.024 120.528 120.400 0.173 0.000 2.133 160 D HA -0.107 4.534 4.640 0.001 0.000 0.195 160 D C 1.747 178.155 176.300 0.181 0.000 0.997 160 D CA 1.239 55.387 54.000 0.246 0.000 0.840 160 D CB -0.542 40.392 40.800 0.223 0.000 0.947 160 D HN 0.320 nan 8.370 nan 0.000 0.452 161 T N 0.778 115.411 114.554 0.132 0.000 2.737 161 T HA -0.080 4.271 4.350 0.001 0.000 0.265 161 T C 2.089 176.871 174.700 0.137 0.000 1.038 161 T CA 1.495 63.659 62.100 0.107 0.000 1.144 161 T CB -0.379 68.530 68.868 0.068 0.000 0.866 161 T HN 0.205 nan 8.240 nan 0.000 0.434 162 A N 1.212 124.125 122.820 0.154 0.000 1.892 162 A HA -0.127 4.194 4.320 0.001 0.000 0.218 162 A C 2.599 180.343 177.584 0.267 0.000 1.188 162 A CA 1.810 53.981 52.037 0.223 0.000 0.631 162 A CB -1.214 17.920 19.000 0.223 0.000 0.822 162 A HN 0.361 nan 8.150 nan 0.000 0.447 163 V N -0.030 120.017 119.914 0.220 0.000 2.358 163 V HA -0.237 3.884 4.120 0.001 0.000 0.246 163 V C 2.555 178.782 176.094 0.220 0.000 1.047 163 V CA 1.903 64.329 62.300 0.211 0.000 1.035 163 V CB -0.737 31.238 31.823 0.253 0.000 0.658 163 V HN 0.559 nan 8.190 nan 0.000 0.452 164 L N -0.722 120.615 121.223 0.190 0.000 2.005 164 L HA -0.085 4.256 4.340 0.001 0.000 0.207 164 L C 1.987 178.939 176.870 0.136 0.000 1.072 164 L CA 1.053 55.980 54.840 0.145 0.000 0.744 164 L CB -0.466 41.656 42.059 0.106 0.000 0.895 164 L HN 0.271 nan 8.230 nan 0.000 0.433 165 L N -1.211 120.092 121.223 0.133 0.000 2.612 165 L HA -0.065 4.276 4.340 0.001 0.000 0.230 165 L C 1.993 178.942 176.870 0.132 0.000 1.140 165 L CA 0.657 55.557 54.840 0.101 0.000 0.896 165 L CB -1.714 40.389 42.059 0.074 0.000 1.065 165 L HN 0.240 nan 8.230 nan 0.000 0.447 166 Y N 2.182 122.524 120.300 0.071 0.000 2.073 166 Y HA -0.393 4.157 4.550 0.001 0.000 0.270 166 Y C 2.239 178.168 175.900 0.047 0.000 1.226 166 Y CA 2.324 60.465 58.100 0.068 0.000 1.117 166 Y CB 0.081 38.584 38.460 0.071 0.000 0.939 166 Y HN 0.336 nan 8.280 nan 0.000 0.504 167 D N -0.246 120.180 120.400 0.045 0.000 2.084 167 D HA -0.164 4.476 4.640 0.001 0.000 0.194 167 D C 1.303 177.546 176.300 -0.095 0.000 0.990 167 D CA 1.827 55.796 54.000 -0.051 0.000 0.826 167 D CB -0.653 40.179 40.800 0.053 0.000 0.971 167 D HN 0.483 nan 8.370 nan 0.000 0.453 168 D N 0.074 120.450 120.400 -0.039 0.000 2.368 168 D HA 0.081 4.722 4.640 0.001 0.000 0.250 168 D C 0.074 176.350 176.300 -0.041 0.000 1.142 168 D CA 0.291 54.270 54.000 -0.035 0.000 0.925 168 D CB -0.112 40.679 40.800 -0.015 0.000 0.896 168 D HN 0.289 nan 8.370 nan 0.000 0.525 169 I N 0.375 120.890 120.570 -0.092 0.000 2.433 169 I HA 0.183 4.353 4.170 0.001 0.000 0.292 169 I C 0.459 176.482 176.117 -0.156 0.000 1.001 169 I CA -0.927 60.322 61.300 -0.085 0.000 1.119 169 I CB 1.853 39.831 38.000 -0.037 0.000 1.289 169 I HN -0.136 nan 8.210 nan 0.000 0.438 170 S N 3.997 119.616 115.700 -0.134 0.000 2.669 170 S HA 0.504 4.974 4.470 0.001 0.000 0.270 170 S C 1.077 175.568 174.600 -0.181 0.000 1.225 170 S CA -0.178 57.935 58.200 -0.145 0.000 0.991 170 S CB 1.710 64.842 63.200 -0.113 0.000 0.987 170 S HN 0.729 nan 8.310 nan 0.000 0.552 171 A N 1.026 123.752 122.820 -0.157 0.000 1.898 171 A HA 0.201 4.521 4.320 0.001 0.000 0.216 171 A C 2.317 179.792 177.584 -0.182 0.000 1.181 171 A CA 1.577 53.521 52.037 -0.154 0.000 0.620 171 A CB -1.610 17.321 19.000 -0.114 0.000 0.819 171 A HN 1.243 nan 8.150 nan 0.000 0.442 172 A N -0.421 122.294 122.820 -0.175 0.000 1.898 172 A HA -0.099 4.222 4.320 0.001 0.000 0.216 172 A C 2.212 179.616 177.584 -0.300 0.000 1.181 172 A CA 1.778 53.698 52.037 -0.194 0.000 0.620 172 A CB -0.403 18.509 19.000 -0.145 0.000 0.819 172 A HN 0.502 nan 8.150 nan 0.000 0.442 173 R N -1.461 118.840 120.500 -0.332 0.000 2.066 173 R HA 0.020 4.361 4.340 0.001 0.000 0.232 173 R C 1.984 177.692 176.300 -0.987 0.000 1.131 173 R CA 1.487 57.260 56.100 -0.545 0.000 0.955 173 R CB -0.249 29.849 30.300 -0.336 0.000 0.851 173 R HN 0.345 nan 8.270 nan 0.000 0.432 174 M N 0.035 119.281 119.600 -0.590 0.000 2.700 174 M HA 0.036 4.516 4.480 0.001 0.000 0.249 174 M C 1.356 177.481 176.300 -0.292 0.000 1.082 174 M CA 0.816 55.866 55.300 -0.416 0.000 1.077 174 M CB -0.277 32.226 32.600 -0.161 0.000 1.477 174 M HN 0.340 nan 8.290 nan 0.000 0.529 175 A N -0.693 121.915 122.820 -0.353 0.000 1.942 175 A HA -0.020 4.300 4.320 0.001 0.000 0.209 175 A C 1.967 179.398 177.584 -0.255 0.000 1.214 175 A CA 1.343 53.243 52.037 -0.228 0.000 0.686 175 A CB -0.830 18.049 19.000 -0.203 0.000 0.871 175 A HN 0.514 nan 8.150 nan 0.000 0.460 176 T N -2.504 111.779 114.554 -0.451 0.000 2.946 176 T HA -0.163 4.188 4.350 0.001 0.000 0.271 176 T C 1.597 176.209 174.700 -0.146 0.000 1.104 176 T CA 1.535 63.269 62.100 -0.610 0.000 1.114 176 T CB -0.684 67.553 68.868 -1.051 0.000 0.867 176 T HN 0.617 nan 8.240 nan 0.000 0.513 177 Y N -0.186 120.049 120.300 -0.107 0.000 2.230 177 Y HA 0.248 4.798 4.550 0.001 0.000 0.294 177 Y C 2.577 178.516 175.900 0.064 0.000 1.120 177 Y CA -0.036 58.092 58.100 0.047 0.000 1.129 177 Y CB -0.200 38.304 38.460 0.073 0.000 1.040 177 Y HN 0.133 nan 8.280 nan 0.000 0.519 178 M N 0.360 120.073 119.600 0.189 0.000 2.419 178 M HA -0.137 4.343 4.480 0.001 0.000 0.264 178 M C 1.186 177.528 176.300 0.069 0.000 1.082 178 M CA 1.167 56.534 55.300 0.112 0.000 1.119 178 M CB -0.397 32.240 32.600 0.062 0.000 1.398 178 M HN 0.187 nan 8.290 nan 0.000 0.453 179 D N -1.491 118.931 120.400 0.037 0.000 2.120 179 D HA -0.125 4.515 4.640 0.001 0.000 0.202 179 D C 1.830 178.169 176.300 0.066 0.000 0.972 179 D CA 1.682 55.694 54.000 0.020 0.000 0.837 179 D CB -0.051 40.731 40.800 -0.031 0.000 0.989 179 D HN 0.319 nan 8.370 nan 0.000 0.469 180 T N 1.070 115.680 114.554 0.093 0.000 2.746 180 T HA -0.118 4.233 4.350 0.001 0.000 0.267 180 T C 2.249 177.071 174.700 0.204 0.000 1.039 180 T CA 0.746 62.912 62.100 0.109 0.000 1.142 180 T CB -0.264 68.664 68.868 0.101 0.000 0.866 180 T HN 0.061 nan 8.240 nan 0.000 0.444 181 I N 0.912 121.619 120.570 0.228 0.000 2.208 181 I HA -0.140 4.031 4.170 0.001 0.000 0.245 181 I C 2.437 178.666 176.117 0.187 0.000 1.097 181 I CA 1.892 63.353 61.300 0.267 0.000 1.363 181 I CB -0.488 37.628 38.000 0.194 0.000 1.051 181 I HN 0.354 nan 8.210 nan 0.000 0.413 182 D N 0.222 120.693 120.400 0.117 0.000 2.144 182 D HA -0.274 4.366 4.640 0.001 0.000 0.199 182 D C 2.105 178.434 176.300 0.050 0.000 0.984 182 D CA 1.152 55.191 54.000 0.065 0.000 0.834 182 D CB -0.134 40.689 40.800 0.038 0.000 0.955 182 D HN 0.364 nan 8.370 nan 0.000 0.465 183 Y N -0.076 120.180 120.300 -0.073 0.000 2.128 183 Y HA -0.207 4.343 4.550 0.001 0.000 0.284 183 Y C 1.635 177.409 175.900 -0.211 0.000 1.154 183 Y CA 1.638 59.617 58.100 -0.202 0.000 1.149 183 Y CB -0.690 37.546 38.460 -0.372 0.000 0.976 183 Y HN -0.020 nan 8.280 nan 0.000 0.505 184 F N -0.198 119.585 119.950 -0.278 0.000 2.128 184 F HA 0.009 4.536 4.527 0.001 0.000 0.295 184 F C 1.178 176.884 175.800 -0.157 0.000 1.100 184 F CA 1.609 59.434 58.000 -0.290 0.000 1.260 184 F CB -0.603 38.400 39.000 0.005 0.000 1.009 184 F HN -0.175 nan 8.300 nan 0.000 0.476 185 T N 2.144 116.767 114.554 0.116 0.000 3.068 185 T HA 0.226 4.576 4.350 0.001 0.000 0.364 185 T C -2.006 172.707 174.700 0.022 0.000 1.161 185 T CA -0.934 61.202 62.100 0.060 0.000 1.155 185 T CB 1.733 70.645 68.868 0.073 0.000 1.060 185 T HN -0.035 nan 8.240 nan 0.000 0.513 186 P HA 0.264 nan 4.420 nan 0.000 0.259 186 P C 0.073 177.365 177.300 -0.013 0.000 1.233 186 P CA -0.100 62.992 63.100 -0.014 0.000 0.827 186 P CB 0.775 32.458 31.700 -0.028 0.000 1.154 194 G N 1.422 110.238 108.800 0.027 0.000 3.562 194 G HA2 -0.173 3.787 3.960 0.001 0.000 0.296 194 G HA3 -0.173 3.787 3.960 0.001 0.000 0.296 194 G C 1.648 176.555 174.900 0.011 0.000 0.884 194 G CA 2.644 47.782 45.100 0.064 0.000 0.739 194 G HN 2.015 nan 8.290 nan 0.000 1.278 195 A N -0.291 122.503 122.820 -0.044 0.000 1.927 195 A HA -0.203 4.117 4.320 0.001 0.000 0.220 195 A C 2.314 179.801 177.584 -0.162 0.000 1.185 195 A CA 2.608 54.469 52.037 -0.293 0.000 0.639 195 A CB -0.606 18.221 19.000 -0.288 0.000 0.820 195 A HN 0.616 nan 8.150 nan 0.000 0.451 196 N N -0.678 118.145 118.700 0.204 0.000 2.106 196 N HA -0.161 4.580 4.740 0.001 0.000 0.188 196 N C 1.916 177.625 175.510 0.331 0.000 1.029 196 N CA 1.494 54.857 53.050 0.522 0.000 0.848 196 N CB -0.513 38.275 38.487 0.500 0.000 1.007 196 N HN 0.673 nan 8.380 nan 0.000 0.423 197 R N 1.102 121.700 120.500 0.163 0.000 2.083 197 R HA -0.080 4.260 4.340 0.001 0.000 0.237 197 R C 2.055 178.407 176.300 0.086 0.000 1.137 197 R CA 1.634 57.795 56.100 0.102 0.000 0.951 197 R CB -0.275 30.054 30.300 0.048 0.000 0.851 197 R HN 0.166 nan 8.270 nan 0.000 0.434 198 A N 0.571 123.412 122.820 0.035 0.000 1.908 198 A HA -0.181 4.140 4.320 0.001 0.000 0.218 198 A C 1.926 179.562 177.584 0.086 0.000 1.181 198 A CA 1.268 53.303 52.037 -0.004 0.000 0.627 198 A CB -0.972 17.970 19.000 -0.097 0.000 0.818 198 A HN 0.587 nan 8.150 nan 0.000 0.445 199 W N 0.304 121.663 121.300 0.099 0.000 2.363 199 W HA -0.132 4.529 4.660 0.001 0.000 0.296 199 W C 2.490 179.017 176.519 0.013 0.000 1.212 199 W CA 1.261 58.648 57.345 0.070 0.000 1.260 199 W CB -0.908 28.609 29.460 0.096 0.000 1.131 199 W HN 0.576 nan 8.180 nan 0.000 0.530 200 Q N -0.182 119.774 119.800 0.259 0.000 2.050 200 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 200 Q C 2.456 178.500 176.000 0.073 0.000 0.980 200 Q CA 1.856 57.739 55.803 0.133 0.000 0.840 200 Q CB -0.686 28.119 28.738 0.112 0.000 0.898 200 Q HN 0.129 nan 8.270 nan 0.000 0.424 201 A N 0.957 123.814 122.820 0.063 0.000 1.908 201 A HA -0.203 4.117 4.320 0.001 0.000 0.218 201 A C 2.043 179.623 177.584 -0.007 0.000 1.181 201 A CA 1.366 53.409 52.037 0.010 0.000 0.627 201 A CB -0.522 18.472 19.000 -0.011 0.000 0.818 201 A HN 0.361 nan 8.150 nan 0.000 0.445 202 I N -0.771 119.821 120.570 0.036 0.000 2.546 202 I HA -0.098 4.073 4.170 0.001 0.000 0.255 202 I C 2.118 178.200 176.117 -0.057 0.000 1.163 202 I CA 0.894 62.193 61.300 -0.002 0.000 1.457 202 I CB 0.080 38.150 38.000 0.116 0.000 1.092 202 I HN 0.098 nan 8.210 nan 0.000 0.434 203 V N -0.634 119.275 119.914 -0.008 0.000 2.346 203 V HA -0.174 3.947 4.120 0.001 0.000 0.244 203 V C 2.380 178.440 176.094 -0.056 0.000 1.037 203 V CA 1.670 63.949 62.300 -0.036 0.000 1.029 203 V CB -0.332 31.480 31.823 -0.019 0.000 0.663 203 V HN 0.395 nan 8.190 nan 0.000 0.454 204 V N 0.834 120.721 119.914 -0.045 0.000 2.453 204 V HA -0.035 4.085 4.120 0.001 0.000 0.247 204 V C 2.323 178.356 176.094 -0.102 0.000 1.048 204 V CA 2.269 64.535 62.300 -0.057 0.000 1.049 204 V CB -0.413 31.385 31.823 -0.040 0.000 0.672 204 V HN 0.509 nan 8.190 nan 0.000 0.457 205 G N -0.401 108.324 108.800 -0.125 0.000 2.402 205 G HA2 -0.173 3.787 3.960 0.001 0.000 0.216 205 G HA3 -0.173 3.787 3.960 0.001 0.000 0.216 205 G C 1.621 176.375 174.900 -0.244 0.000 1.162 205 G CA 1.287 46.279 45.100 -0.180 0.000 0.777 205 G HN 0.447 nan 8.290 nan 0.000 0.539 206 V N 1.606 121.340 119.914 -0.300 0.000 2.379 206 V HA -0.112 4.008 4.120 0.001 0.000 0.245 206 V C 2.787 178.744 176.094 -0.229 0.000 1.044 206 V CA 2.093 64.157 62.300 -0.393 0.000 1.036 206 V CB -0.363 31.143 31.823 -0.530 0.000 0.664 206 V HN 0.567 nan 8.190 nan 0.000 0.453 207 R N 1.614 122.026 120.500 -0.147 0.000 2.237 207 R HA 0.039 4.380 4.340 0.001 0.000 0.219 207 R C 1.851 178.093 176.300 -0.097 0.000 1.080 207 R CA 1.645 57.696 56.100 -0.081 0.000 0.995 207 R CB -0.573 29.706 30.300 -0.035 0.000 0.875 207 R HN 0.370 nan 8.270 nan 0.000 0.462 208 A N 0.970 123.712 122.820 -0.131 0.000 1.930 208 A HA -0.004 4.317 4.320 0.001 0.000 0.215 208 A C 2.209 179.711 177.584 -0.137 0.000 1.176 208 A CA 1.091 53.043 52.037 -0.142 0.000 0.632 208 A CB -0.507 18.398 19.000 -0.159 0.000 0.819 208 A HN 0.339 nan 8.150 nan 0.000 0.445 209 V N -0.627 119.224 119.914 -0.105 0.000 3.217 209 V HA -0.030 4.090 4.120 0.001 0.000 0.264 209 V C 1.853 177.904 176.094 -0.072 0.000 1.135 209 V CA 1.496 63.806 62.300 0.015 0.000 1.142 209 V CB -0.803 31.001 31.823 -0.031 0.000 0.754 209 V HN 0.578 nan 8.190 nan 0.000 0.484 210 I N -1.274 119.231 120.570 -0.108 0.000 2.867 210 I HA 0.140 4.310 4.170 0.001 0.000 0.265 210 I C 1.895 177.991 176.117 -0.035 0.000 1.162 210 I CA 0.747 62.005 61.300 -0.070 0.000 1.471 210 I CB -0.397 37.616 38.000 0.021 0.000 1.123 210 I HN 0.127 nan 8.210 nan 0.000 0.440 211 V N 1.238 121.089 119.914 -0.105 0.000 3.633 211 V HA 0.101 4.221 4.120 0.001 0.000 0.283 211 V C 0.693 176.609 176.094 -0.297 0.000 1.305 211 V CA 0.002 62.223 62.300 -0.131 0.000 1.153 211 V CB -1.501 30.259 31.823 -0.106 0.000 0.950 211 V HN 0.444 nan 8.190 nan 0.000 0.432 212 K N 1.846 121.952 120.400 -0.490 0.000 3.490 212 K HA -0.219 4.102 4.320 0.001 0.000 0.273 212 K C -0.157 175.771 176.600 -1.121 0.000 0.916 212 K CA 0.777 56.324 56.287 -1.234 0.000 0.718 212 K CB -0.839 31.121 32.500 -0.901 0.000 1.477 212 K HN 0.574 nan 8.250 nan 0.000 0.452 213 D N -0.647 119.351 120.400 -0.670 0.000 2.256 213 D HA 0.462 5.102 4.640 0.001 0.000 0.246 213 D C 0.420 176.680 176.300 -0.067 0.000 1.042 213 D CA 0.090 53.916 54.000 -0.290 0.000 0.841 213 D CB 1.748 42.446 40.800 -0.170 0.000 1.223 213 D HN 0.165 nan 8.370 nan 0.000 0.470 214 A N 3.397 126.275 122.820 0.096 0.000 1.993 214 A HA 0.033 4.353 4.320 0.001 0.000 0.207 214 A C 2.003 179.627 177.584 0.067 0.000 1.224 214 A CA 0.593 52.724 52.037 0.157 0.000 0.749 214 A CB -0.463 18.831 19.000 0.490 0.000 0.884 214 A HN 0.437 nan 8.150 nan 0.000 0.467 215 V N 0.675 120.628 119.914 0.066 0.000 2.255 215 V HA -0.273 3.847 4.120 0.001 0.000 0.247 215 V C 2.350 178.444 176.094 -0.001 0.000 1.051 215 V CA 2.707 65.034 62.300 0.046 0.000 1.018 215 V CB -0.517 31.324 31.823 0.030 0.000 0.641 215 V HN 0.450 nan 8.190 nan 0.000 0.445 216 K N -0.349 120.027 120.400 -0.039 0.000 1.991 216 K HA -0.157 4.164 4.320 0.001 0.000 0.212 216 K C 2.123 178.661 176.600 -0.103 0.000 1.049 216 K CA 1.857 58.106 56.287 -0.063 0.000 0.932 216 K CB -1.284 31.170 32.500 -0.077 0.000 0.717 216 K HN 0.461 nan 8.250 nan 0.000 0.441 217 L N 1.294 122.406 121.223 -0.185 0.000 2.103 217 L HA -0.211 4.130 4.340 0.001 0.000 0.215 217 L C 2.083 178.812 176.870 -0.236 0.000 1.080 217 L CA 2.163 56.813 54.840 -0.317 0.000 0.764 217 L CB -0.778 40.878 42.059 -0.671 0.000 0.890 217 L HN 0.227 nan 8.230 nan 0.000 0.435 218 A N -1.430 121.323 122.820 -0.113 0.000 2.072 218 A HA 0.216 4.537 4.320 0.001 0.000 0.216 218 A C 2.324 179.926 177.584 0.031 0.000 1.156 218 A CA 1.002 53.078 52.037 0.065 0.000 0.701 218 A CB -0.731 18.385 19.000 0.194 0.000 0.816 218 A HN 0.508 nan 8.150 nan 0.000 0.458 219 A N -0.409 122.408 122.820 -0.006 0.000 2.119 219 A HA 0.375 4.695 4.320 0.001 0.000 0.216 219 A C 2.248 179.817 177.584 -0.025 0.000 1.152 219 A CA 1.438 53.470 52.037 -0.008 0.000 0.708 219 A CB -0.499 18.493 19.000 -0.013 0.000 0.805 219 A HN 0.775 nan 8.150 nan 0.000 0.460 220 A N -0.002 122.791 122.820 -0.045 0.000 1.878 220 A HA -0.016 4.305 4.320 0.001 0.000 0.213 220 A C 2.216 179.770 177.584 -0.050 0.000 1.192 220 A CA 1.233 53.237 52.037 -0.056 0.000 0.619 220 A CB -0.478 18.470 19.000 -0.087 0.000 0.837 220 A HN 0.476 nan 8.150 nan 0.000 0.446 221 R N 0.418 120.901 120.500 -0.028 0.000 2.091 221 R HA -0.155 4.186 4.340 0.001 0.000 0.238 221 R C 1.672 177.960 176.300 -0.019 0.000 1.136 221 R CA 1.956 58.054 56.100 -0.002 0.000 0.959 221 R CB -0.536 29.805 30.300 0.068 0.000 0.856 221 R HN 0.718 nan 8.270 nan 0.000 0.437 222 N N -0.687 118.011 118.700 -0.003 0.000 2.309 222 N HA -0.098 4.643 4.740 0.001 0.000 0.182 222 N C 1.794 177.274 175.510 -0.050 0.000 1.018 222 N CA 0.647 53.693 53.050 -0.006 0.000 0.876 222 N CB -0.200 38.295 38.487 0.015 0.000 0.972 222 N HN 0.358 nan 8.380 nan 0.000 0.434 223 G N 1.971 110.734 108.800 -0.062 0.000 2.469 223 G HA2 -0.225 3.736 3.960 0.001 0.000 0.219 223 G HA3 -0.225 3.736 3.960 0.001 0.000 0.219 223 G C 1.420 176.232 174.900 -0.147 0.000 1.150 223 G CA 0.467 45.522 45.100 -0.075 0.000 0.763 223 G HN 0.190 nan 8.290 nan 0.000 0.561 224 L N 1.051 122.112 121.223 -0.269 0.000 2.349 224 L HA -0.070 4.270 4.340 0.001 0.000 0.220 224 L C 2.558 179.036 176.870 -0.655 0.000 1.130 224 L CA 0.918 55.403 54.840 -0.590 0.000 0.791 224 L CB -0.210 41.260 42.059 -0.983 0.000 0.918 224 L HN 0.148 nan 8.230 nan 0.000 0.444 225 S N -0.221 115.309 115.700 -0.283 0.000 2.603 225 S HA 0.049 4.519 4.470 0.001 0.000 0.220 225 S C 1.919 176.517 174.600 -0.003 0.000 0.967 225 S CA 0.591 58.768 58.200 -0.039 0.000 0.920 225 S CB 0.245 63.477 63.200 0.053 0.000 0.773 225 S HN 0.582 nan 8.310 nan 0.000 0.529 226 G N 1.185 109.959 108.800 -0.043 0.000 2.430 226 G HA2 0.215 4.175 3.960 0.001 0.000 0.216 226 G HA3 0.215 4.175 3.960 0.001 0.000 0.216 226 G C 0.719 175.636 174.900 0.028 0.000 1.146 226 G CA 0.684 45.782 45.100 -0.003 0.000 0.793 226 G HN 0.479 nan 8.290 nan 0.000 0.537 227 I N -1.801 118.926 120.570 0.262 0.000 3.744 227 I HA -0.356 3.815 4.170 0.001 0.000 0.213 227 I C 1.662 178.159 176.117 0.634 0.000 2.238 227 I CA 1.086 62.633 61.300 0.412 0.000 0.739 227 I CB -1.265 36.824 38.000 0.148 0.000 1.783 227 I HN 0.077 nan 8.210 nan 0.000 0.488 228 F N 3.036 123.124 119.950 0.230 0.000 2.063 228 F HA -0.056 4.472 4.527 0.001 0.000 0.298 228 F C -1.042 174.730 175.800 -0.046 0.000 1.109 228 F CA 1.715 59.729 58.000 0.023 0.000 1.212 228 F CB -2.400 36.546 39.000 -0.090 0.000 0.973 228 F HN 0.207 nan 8.300 nan 0.000 0.480 229 P HA 0.019 nan 4.420 nan 0.000 0.281 229 P C -0.740 176.620 177.300 0.100 0.000 1.252 229 P CA -0.023 63.110 63.100 0.055 0.000 0.778 229 P CB 0.224 31.973 31.700 0.081 0.000 0.895 230 Y N 1.291 121.675 120.300 0.141 0.000 2.511 230 Y HA 0.221 4.771 4.550 0.001 0.000 0.347 230 Y C 1.402 177.260 175.900 -0.069 0.000 1.257 230 Y CA -0.475 57.675 58.100 0.084 0.000 1.469 230 Y CB 0.499 39.000 38.460 0.069 0.000 1.353 230 Y HN 0.436 nan 8.280 nan 0.000 0.617 231 A N 0.693 123.451 122.820 -0.103 0.000 2.340 231 A HA 0.468 4.788 4.320 0.001 0.000 0.331 231 A C 0.516 177.713 177.584 -0.644 0.000 1.140 231 A CA -0.154 51.654 52.037 -0.380 0.000 0.801 231 A CB 0.770 19.473 19.000 -0.495 0.000 1.234 231 A HN 0.810 nan 8.150 nan 0.000 0.469 232 T N -1.747 112.624 114.554 -0.305 0.000 3.044 232 T HA 0.532 4.883 4.350 0.001 0.000 0.260 232 T C 0.541 175.279 174.700 0.064 0.000 1.019 232 T CA 0.497 62.535 62.100 -0.103 0.000 0.921 232 T CB -0.030 68.834 68.868 -0.006 0.000 1.053 232 T HN 1.897 nan 8.240 nan 0.000 0.533 233 G N -1.115 107.691 108.800 0.009 0.000 2.655 233 G HA2 0.592 4.553 3.960 0.001 0.000 0.296 233 G HA3 0.592 4.553 3.960 0.001 0.000 0.296 233 G C -0.009 174.948 174.900 0.095 0.000 1.485 233 G CA 0.040 45.228 45.100 0.146 0.000 0.869 233 G HN 1.062 nan 8.290 nan 0.000 0.540 234 G N 0.818 109.696 108.800 0.131 0.000 2.642 234 G HA2 0.040 4.001 3.960 0.001 0.000 0.231 234 G HA3 0.040 4.001 3.960 0.001 0.000 0.231 234 G C -0.319 174.600 174.900 0.033 0.000 1.338 234 G CA -0.042 45.089 45.100 0.052 0.000 0.883 234 G HN 0.993 nan 8.290 nan 0.000 0.570 235 D N 1.382 121.748 120.400 -0.056 0.000 2.419 235 D HA 0.511 5.152 4.640 0.001 0.000 0.236 235 D C 1.021 177.205 176.300 -0.194 0.000 1.165 235 D CA 2.074 55.967 54.000 -0.177 0.000 0.882 235 D CB 0.729 41.433 40.800 -0.161 0.000 1.201 235 D HN 1.987 nan 8.370 nan 0.000 0.443 236 G N -0.315 108.240 108.800 -0.407 0.000 2.408 236 G HA2 -0.021 3.940 3.960 0.001 0.000 0.682 236 G HA3 -0.021 3.940 3.960 0.001 0.000 0.682 236 G C -1.202 173.589 174.900 -0.182 0.000 1.303 236 G CA -1.089 43.886 45.100 -0.209 0.000 0.966 236 G HN 0.247 nan 8.290 nan 0.000 0.560 237 F N -0.041 120.033 119.950 0.207 0.000 2.375 237 F HA 0.729 5.257 4.527 0.001 0.000 0.333 237 F C 0.453 176.463 175.800 0.350 0.000 1.104 237 F CA -0.020 58.180 58.000 0.332 0.000 1.149 237 F CB 1.155 40.281 39.000 0.209 0.000 1.190 237 F HN 0.435 nan 8.300 nan 0.000 0.533 238 Y N 0.077 120.569 120.300 0.321 0.000 2.528 238 Y HA 0.494 5.045 4.550 0.001 0.000 0.335 238 Y C 0.974 176.735 175.900 -0.232 0.000 1.093 238 Y CA -1.158 56.988 58.100 0.076 0.000 1.134 238 Y CB 1.389 39.864 38.460 0.025 0.000 1.253 238 Y HN 0.625 nan 8.280 nan 0.000 0.478 239 A N 0.396 122.967 122.820 -0.415 0.000 2.076 239 A HA -0.196 4.124 4.320 0.001 0.000 0.220 239 A C 1.460 178.929 177.584 -0.192 0.000 1.160 239 A CA 2.026 53.687 52.037 -0.628 0.000 0.653 239 A CB -0.718 18.035 19.000 -0.412 0.000 0.801 239 A HN 0.808 nan 8.150 nan 0.000 0.455 240 D N -2.362 118.022 120.400 -0.028 0.000 2.328 240 D HA 0.275 4.915 4.640 0.001 0.000 0.226 240 D C 1.133 177.474 176.300 0.067 0.000 1.066 240 D CA 0.938 54.930 54.000 -0.013 0.000 0.861 240 D CB -0.472 40.310 40.800 -0.029 0.000 0.912 240 D HN 0.748 nan 8.370 nan 0.000 0.521 241 G N -0.496 108.427 108.800 0.204 0.000 2.194 241 G HA2 -0.256 3.705 3.960 0.001 0.000 0.236 241 G HA3 -0.256 3.705 3.960 0.001 0.000 0.236 241 G C 0.391 175.566 174.900 0.460 0.000 0.987 241 G CA 0.173 45.501 45.100 0.380 0.000 0.635 241 G HN 0.427 nan 8.290 nan 0.000 0.520 242 S N -0.154 115.772 115.700 0.377 0.000 2.593 242 S HA 0.671 5.141 4.470 0.001 0.000 0.269 242 S C -0.532 174.152 174.600 0.139 0.000 1.334 242 S CA 0.172 58.452 58.200 0.132 0.000 1.015 242 S CB 1.393 64.551 63.200 -0.071 0.000 0.912 242 S HN 0.935 nan 8.310 nan 0.000 0.541 243 F N 1.556 121.375 119.950 -0.218 0.000 2.561 243 F HA 0.627 5.154 4.527 0.001 0.000 0.313 243 F C -1.233 174.430 175.800 -0.230 0.000 1.126 243 F CA -0.663 57.105 58.000 -0.386 0.000 0.918 243 F CB 1.058 39.601 39.000 -0.761 0.000 1.199 243 F HN 0.308 nan 8.300 nan 0.000 0.444 244 V N 4.942 124.205 119.914 -1.085 0.000 2.823 244 V HA 0.666 4.787 4.120 0.001 0.000 0.312 244 V C -1.068 174.512 176.094 -0.857 0.000 1.072 244 V CA -0.612 61.293 62.300 -0.658 0.000 0.937 244 V CB 1.859 33.523 31.823 -0.267 0.000 1.013 244 V HN 0.766 nan 8.190 nan 0.000 0.430 245 Q N 0.764 120.366 119.800 -0.329 0.000 2.416 245 Q HA 0.508 4.848 4.340 0.001 0.000 0.281 245 Q C -0.219 175.799 176.000 0.029 0.000 1.067 245 Q CA -0.441 55.175 55.803 -0.311 0.000 0.809 245 Q CB 1.254 29.709 28.738 -0.472 0.000 1.418 245 Q HN 0.816 nan 8.270 nan 0.000 0.411 246 H N 1.599 120.619 119.070 -0.083 0.000 2.862 246 H HA -0.275 4.281 4.556 0.001 0.000 0.290 246 H C 0.261 175.685 175.328 0.161 0.000 1.211 246 H CA 0.836 56.940 56.048 0.093 0.000 1.140 246 H CB -1.343 28.557 29.762 0.229 0.000 1.341 246 H HN 1.023 nan 8.280 nan 0.000 0.392 247 T N -5.624 109.013 114.554 0.138 0.000 11.377 247 T HA -0.380 3.971 4.350 0.001 0.000 0.415 247 T C 1.237 175.912 174.700 -0.041 0.000 1.474 247 T CA 2.625 64.746 62.100 0.036 0.000 2.441 247 T CB -1.791 67.090 68.868 0.023 0.000 2.870 247 T HN 0.936 nan 8.240 nan 0.000 0.977 248 T N -1.053 113.419 114.554 -0.136 0.000 3.231 248 T HA 0.642 4.993 4.350 0.001 0.000 0.292 248 T C -0.261 174.092 174.700 -0.579 0.000 1.001 248 T CA -0.783 61.082 62.100 -0.391 0.000 0.920 248 T CB -0.166 68.388 68.868 -0.523 0.000 1.140 248 T HN 0.554 nan 8.240 nan 0.000 0.525 249 F N 1.654 121.629 119.950 0.042 0.000 2.520 249 F HA 0.750 5.277 4.527 0.001 0.000 0.322 249 F C 0.438 176.213 175.800 -0.041 0.000 1.103 249 F CA -1.595 56.415 58.000 0.016 0.000 0.926 249 F CB 1.556 40.618 39.000 0.103 0.000 1.154 249 F HN 0.136 nan 8.300 nan 0.000 0.453 250 A N 2.526 125.365 122.820 0.032 0.000 2.444 250 A HA 0.268 4.588 4.320 0.001 0.000 0.273 250 A C -0.841 176.679 177.584 -0.106 0.000 1.136 250 A CA 0.215 52.209 52.037 -0.071 0.000 0.799 250 A CB -0.443 18.485 19.000 -0.121 0.000 1.081 250 A HN 0.847 nan 8.150 nan 0.000 0.509 251 Y N 1.811 122.129 120.300 0.031 0.000 2.675 251 Y HA 0.087 4.638 4.550 0.001 0.000 0.248 251 Y C 2.041 178.041 175.900 0.167 0.000 1.161 251 Y CA 0.441 58.616 58.100 0.124 0.000 1.203 251 Y CB 0.179 38.781 38.460 0.237 0.000 1.262 251 Y HN 0.763 nan 8.280 nan 0.000 0.544 252 T N -0.806 113.868 114.554 0.199 0.000 2.653 252 T HA -0.299 4.051 4.350 0.001 0.000 0.267 252 T C 2.065 176.737 174.700 -0.048 0.000 1.037 252 T CA 2.075 64.141 62.100 -0.057 0.000 1.159 252 T CB -0.540 68.171 68.868 -0.261 0.000 0.859 252 T HN 0.599 nan 8.240 nan 0.000 0.449 253 G N -0.388 108.402 108.800 -0.016 0.000 2.985 253 G HA2 0.397 4.357 3.960 0.001 0.000 0.209 253 G HA3 0.397 4.357 3.960 0.001 0.000 0.209 253 G C 0.999 175.919 174.900 0.034 0.000 1.165 253 G CA 0.620 45.725 45.100 0.009 0.000 0.776 253 G HN 0.620 nan 8.290 nan 0.000 0.541 254 G N -0.010 108.876 108.800 0.144 0.000 2.601 254 G HA2 0.187 4.147 3.960 0.001 0.000 0.214 254 G HA3 0.187 4.147 3.960 0.001 0.000 0.214 254 G C 1.051 175.948 174.900 -0.006 0.000 2.067 254 G CA -0.044 45.147 45.100 0.151 0.000 0.774 254 G HN 0.122 nan 8.290 nan 0.000 0.729 255 Y N 1.820 122.087 120.300 -0.055 0.000 2.274 255 Y HA -0.007 4.543 4.550 0.001 0.000 0.290 255 Y C 2.959 178.705 175.900 -0.256 0.000 1.145 255 Y CA 1.145 59.118 58.100 -0.211 0.000 1.203 255 Y CB -0.442 37.819 38.460 -0.332 0.000 0.984 255 Y HN 0.285 nan 8.280 nan 0.000 0.533 256 G N -1.496 107.209 108.800 -0.159 0.000 2.418 256 G HA2 -0.306 3.654 3.960 0.001 0.000 0.217 256 G HA3 -0.306 3.654 3.960 0.001 0.000 0.217 256 G C 2.018 176.756 174.900 -0.271 0.000 1.158 256 G CA 1.176 45.746 45.100 -0.884 0.000 0.771 256 G HN 0.408 nan 8.290 nan 0.000 0.545 257 S N 0.349 116.014 115.700 -0.057 0.000 2.359 257 S HA -0.144 4.326 4.470 0.001 0.000 0.224 257 S C 2.703 177.268 174.600 -0.058 0.000 1.035 257 S CA 2.044 60.245 58.200 0.001 0.000 1.018 257 S CB -0.431 62.776 63.200 0.012 0.000 0.876 257 S HN 0.337 nan 8.310 nan 0.000 0.448 258 S N 0.637 116.281 115.700 -0.094 0.000 2.356 258 S HA -0.079 4.391 4.470 0.001 0.000 0.223 258 S C 1.936 176.392 174.600 -0.240 0.000 1.032 258 S CA 1.390 59.513 58.200 -0.127 0.000 1.005 258 S CB -0.651 62.415 63.200 -0.224 0.000 0.867 258 S HN 0.425 nan 8.310 nan 0.000 0.449 259 V N 2.424 122.155 119.914 -0.305 0.000 2.252 259 V HA -0.221 3.900 4.120 0.001 0.000 0.249 259 V C 2.231 178.318 176.094 -0.012 0.000 1.056 259 V CA 1.837 64.010 62.300 -0.211 0.000 1.022 259 V CB -0.730 30.946 31.823 -0.244 0.000 0.641 259 V HN 0.435 nan 8.190 nan 0.000 0.445 260 L N -0.200 121.033 121.223 0.016 0.000 1.990 260 L HA -0.283 4.057 4.340 0.001 0.000 0.213 260 L C 2.680 179.582 176.870 0.054 0.000 1.072 260 L CA 2.542 57.427 54.840 0.076 0.000 0.755 260 L CB -0.365 41.594 42.059 -0.167 0.000 0.889 260 L HN 0.526 nan 8.230 nan 0.000 0.432 261 E N -0.696 119.509 120.200 0.008 0.000 2.023 261 E HA -0.289 4.061 4.350 0.001 0.000 0.196 261 E C 1.984 178.650 176.600 0.111 0.000 1.003 261 E CA 2.508 58.938 56.400 0.050 0.000 0.809 261 E CB -0.122 29.611 29.700 0.057 0.000 0.755 261 E HN 0.691 nan 8.360 nan 0.000 0.449 262 T N -1.796 112.816 114.554 0.095 0.000 2.708 262 T HA -0.132 4.219 4.350 0.001 0.000 0.266 262 T C 2.060 176.854 174.700 0.156 0.000 1.037 262 T CA 1.912 64.099 62.100 0.146 0.000 1.146 262 T CB -0.984 67.927 68.868 0.071 0.000 0.865 262 T HN 0.086 nan 8.240 nan 0.000 0.435 263 T N 2.182 116.814 114.554 0.131 0.000 2.720 263 T HA 0.032 4.383 4.350 0.001 0.000 0.268 263 T C 2.441 177.275 174.700 0.224 0.000 1.037 263 T CA 1.462 63.662 62.100 0.168 0.000 1.144 263 T CB -0.883 68.137 68.868 0.254 0.000 0.864 263 T HN 0.635 nan 8.240 nan 0.000 0.444 264 A N 2.219 125.181 122.820 0.238 0.000 1.873 264 A HA -0.130 4.190 4.320 0.001 0.000 0.215 264 A C 2.294 180.075 177.584 0.330 0.000 1.186 264 A CA 1.400 53.621 52.037 0.307 0.000 0.616 264 A CB -0.595 18.537 19.000 0.221 0.000 0.823 264 A HN 0.368 nan 8.150 nan 0.000 0.442 265 N N -0.301 118.567 118.700 0.280 0.000 2.166 265 N HA -0.126 4.615 4.740 0.001 0.000 0.186 265 N C 1.569 177.352 175.510 0.456 0.000 1.019 265 N CA 1.451 54.714 53.050 0.355 0.000 0.856 265 N CB -0.439 38.267 38.487 0.365 0.000 0.993 265 N HN 0.413 nan 8.380 nan 0.000 0.426 266 L N 0.770 122.180 121.223 0.313 0.000 2.109 266 L HA 0.122 4.463 4.340 0.001 0.000 0.207 266 L C 2.061 178.997 176.870 0.109 0.000 1.086 266 L CA 1.215 56.168 54.840 0.189 0.000 0.760 266 L CB -0.445 41.669 42.059 0.093 0.000 0.910 266 L HN 0.084 nan 8.230 nan 0.000 0.437 267 M N -2.019 117.652 119.600 0.117 0.000 2.229 267 M HA -0.216 4.264 4.480 0.001 0.000 0.264 267 M C 2.170 178.228 176.300 -0.402 0.000 1.063 267 M CA 1.764 57.059 55.300 -0.008 0.000 1.114 267 M CB -0.424 32.308 32.600 0.220 0.000 1.387 267 M HN 0.407 nan 8.290 nan 0.000 0.420 268 Y N 0.756 120.813 120.300 -0.405 0.000 2.263 268 Y HA -0.176 4.375 4.550 0.001 0.000 0.292 268 Y C 2.006 177.798 175.900 -0.181 0.000 1.130 268 Y CA 1.109 58.901 58.100 -0.514 0.000 1.179 268 Y CB -0.053 38.373 38.460 -0.058 0.000 0.998 268 Y HN 0.104 nan 8.280 nan 0.000 0.532 269 L N 0.358 121.537 121.223 -0.074 0.000 2.056 269 L HA -0.142 4.198 4.340 0.001 0.000 0.207 269 L C 1.805 178.579 176.870 -0.159 0.000 1.078 269 L CA 1.827 56.634 54.840 -0.055 0.000 0.749 269 L CB -0.616 41.563 42.059 0.199 0.000 0.901 269 L HN 0.340 nan 8.230 nan 0.000 0.433 270 L N -1.178 119.970 121.223 -0.125 0.000 2.478 270 L HA 0.041 4.381 4.340 0.001 0.000 0.223 270 L C 1.230 178.030 176.870 -0.116 0.000 1.140 270 L CA -0.066 54.734 54.840 -0.067 0.000 0.842 270 L CB -0.517 41.539 42.059 -0.004 0.000 0.953 270 L HN 0.085 nan 8.230 nan 0.000 0.452 271 S N 0.169 115.705 115.700 -0.273 0.000 2.516 271 S HA 0.319 4.789 4.470 0.001 0.000 0.282 271 S C 1.147 175.655 174.600 -0.152 0.000 1.286 271 S CA 0.647 58.703 58.200 -0.241 0.000 1.066 271 S CB 0.490 63.421 63.200 -0.449 0.000 0.884 271 S HN 0.610 nan 8.310 nan 0.000 0.491 272 G N 2.958 111.716 108.800 -0.070 0.000 2.179 272 G HA2 -0.257 3.703 3.960 0.001 0.000 0.260 272 G HA3 -0.257 3.703 3.960 0.001 0.000 0.260 272 G C 0.181 175.039 174.900 -0.071 0.000 0.977 272 G CA 0.405 45.471 45.100 -0.058 0.000 0.641 272 G HN 1.270 nan 8.290 nan 0.000 0.533 273 S N -1.248 114.411 115.700 -0.068 0.000 2.767 273 S HA 0.698 5.169 4.470 0.001 0.000 0.300 273 S C 1.545 176.039 174.600 -0.176 0.000 1.123 273 S CA 0.865 59.017 58.200 -0.080 0.000 0.992 273 S CB 1.445 64.677 63.200 0.054 0.000 1.138 273 S HN 1.219 nan 8.310 nan 0.000 0.550 274 T N -2.517 111.786 114.554 -0.419 0.000 3.072 274 T HA 0.053 4.403 4.350 0.001 0.000 0.266 274 T C 0.315 174.642 174.700 -0.621 0.000 1.127 274 T CA 0.281 62.009 62.100 -0.620 0.000 1.107 274 T CB -0.435 67.863 68.868 -0.951 0.000 0.910 274 T HN 0.697 nan 8.240 nan 0.000 0.513 275 W N 2.460 123.701 121.300 -0.099 0.000 2.937 275 W HA 0.561 5.221 4.660 0.001 0.000 0.435 275 W C 0.591 177.072 176.519 -0.063 0.000 0.912 275 W CA -1.402 55.897 57.345 -0.076 0.000 2.209 275 W CB -0.397 29.008 29.460 -0.093 0.000 1.144 275 W HN 0.219 nan 8.180 nan 0.000 0.762 276 S N 0.714 116.450 115.700 0.061 0.000 2.579 276 S HA 0.266 4.736 4.470 0.001 0.000 0.275 276 S C 0.339 174.981 174.600 0.070 0.000 1.345 276 S CA -0.147 58.077 58.200 0.041 0.000 1.031 276 S CB 1.115 64.315 63.200 0.000 0.000 0.892 276 S HN -0.059 nan 8.310 nan 0.000 0.529 277 V N 4.594 124.560 119.914 0.087 0.000 2.521 277 V HA 0.158 4.279 4.120 0.001 0.000 0.286 277 V C 1.203 177.358 176.094 0.102 0.000 1.034 277 V CA 0.828 63.206 62.300 0.131 0.000 1.045 277 V CB 0.935 32.882 31.823 0.207 0.000 0.974 277 V HN 1.054 nan 8.190 nan 0.000 0.480 278 S N 1.596 117.351 115.700 0.092 0.000 2.549 278 S HA 0.080 4.550 4.470 0.001 0.000 0.225 278 S C 0.553 175.176 174.600 0.039 0.000 1.039 278 S CA -0.321 57.912 58.200 0.054 0.000 0.942 278 S CB 0.021 63.244 63.200 0.038 0.000 0.881 278 S HN 0.734 nan 8.310 nan 0.000 0.503 279 D N 3.754 124.200 120.400 0.076 0.000 2.571 279 D HA 0.090 4.731 4.640 0.001 0.000 0.231 279 D C -1.752 174.507 176.300 -0.068 0.000 1.133 279 D CA -1.034 52.997 54.000 0.053 0.000 0.862 279 D CB 1.142 42.059 40.800 0.195 0.000 1.179 279 D HN 0.049 nan 8.370 nan 0.000 0.474 280 P HA -0.026 nan 4.420 nan 0.000 0.223 280 P C 0.761 177.923 177.300 -0.230 0.000 1.151 280 P CA 0.509 63.540 63.100 -0.115 0.000 0.787 280 P CB 0.257 31.921 31.700 -0.060 0.000 0.788 281 N N 0.231 118.768 118.700 -0.271 0.000 2.512 281 N HA -0.128 4.613 4.740 0.001 0.000 0.183 281 N C 1.696 176.685 175.510 -0.868 0.000 1.073 281 N CA 0.652 53.454 53.050 -0.414 0.000 0.911 281 N CB -0.377 37.971 38.487 -0.231 0.000 0.964 281 N HN 0.475 nan 8.380 nan 0.000 0.447 282 Q N 0.256 119.364 119.800 -1.152 0.000 2.368 282 Q HA -0.048 4.293 4.340 0.001 0.000 0.210 282 Q C 1.279 176.438 176.000 -1.401 0.000 0.982 282 Q CA 1.246 56.038 55.803 -1.685 0.000 0.884 282 Q CB -0.277 27.789 28.738 -1.120 0.000 0.933 282 Q HN 0.072 nan 8.270 nan 0.000 0.460 283 S N 1.552 116.705 115.700 -0.912 0.000 2.419 283 S HA -0.146 4.324 4.470 0.001 0.000 0.235 283 S C 1.353 175.414 174.600 -0.898 0.000 1.019 283 S CA 1.421 59.158 58.200 -0.771 0.000 0.982 283 S CB -0.409 62.632 63.200 -0.265 0.000 0.789 283 S HN 0.578 nan 8.310 nan 0.000 0.490 284 N N 0.880 119.053 118.700 -0.879 0.000 2.223 284 N HA -0.069 4.671 4.740 0.001 0.000 0.185 284 N C 1.474 176.195 175.510 -1.315 0.000 1.016 284 N CA 0.915 53.480 53.050 -0.810 0.000 0.863 284 N CB -0.238 37.761 38.487 -0.814 0.000 0.983 284 N HN 0.169 nan 8.380 nan 0.000 0.429 285 V N 0.388 119.209 119.914 -1.822 0.000 2.469 285 V HA -0.224 3.896 4.120 0.001 0.000 0.251 285 V C 1.551 177.039 176.094 -1.010 0.000 1.064 285 V CA 1.556 62.622 62.300 -2.056 0.000 1.066 285 V CB -0.655 30.121 31.823 -1.745 0.000 0.667 285 V HN 0.475 nan 8.190 nan 0.000 0.461 286 W N -0.779 120.149 121.300 -0.620 0.000 2.388 286 W HA -0.131 4.530 4.660 0.001 0.000 0.294 286 W C 2.608 178.840 176.519 -0.478 0.000 1.212 286 W CA 0.136 57.173 57.345 -0.514 0.000 1.271 286 W CB -0.368 28.526 29.460 -0.944 0.000 1.126 286 W HN 0.146 nan 8.180 nan 0.000 0.535 287 Q N -0.317 119.426 119.800 -0.097 0.000 2.224 287 Q HA -0.152 4.189 4.340 0.001 0.000 0.203 287 Q C 1.817 177.972 176.000 0.258 0.000 0.970 287 Q CA 1.108 57.002 55.803 0.152 0.000 0.865 287 Q CB -0.851 28.031 28.738 0.240 0.000 0.922 287 Q HN 0.446 nan 8.270 nan 0.000 0.445 288 W N 1.159 122.424 121.300 -0.058 0.000 2.317 288 W HA -0.165 4.496 4.660 0.001 0.000 0.318 288 W C 2.086 178.707 176.519 0.171 0.000 1.227 288 W CA 0.262 57.580 57.345 -0.045 0.000 1.269 288 W CB -0.995 28.317 29.460 -0.246 0.000 1.155 288 W HN 0.098 nan 8.180 nan 0.000 0.484 289 I N -0.895 119.856 120.570 0.301 0.000 2.127 289 I HA -0.336 3.834 4.170 0.001 0.000 0.241 289 I C 2.230 178.522 176.117 0.291 0.000 1.075 289 I CA 1.593 63.006 61.300 0.189 0.000 1.334 289 I CB -1.806 36.096 38.000 -0.163 0.000 1.040 289 I HN 0.102 nan 8.210 nan 0.000 0.405 290 Y N 0.909 121.396 120.300 0.311 0.000 2.114 290 Y HA -0.200 4.351 4.550 0.001 0.000 0.284 290 Y C 2.676 178.700 175.900 0.205 0.000 1.143 290 Y CA 0.720 58.965 58.100 0.242 0.000 1.135 290 Y CB -0.079 38.519 38.460 0.231 0.000 0.980 290 Y HN 0.201 nan 8.280 nan 0.000 0.499 291 E N -0.641 119.792 120.200 0.389 0.000 2.290 291 E HA 0.075 4.426 4.350 0.001 0.000 0.197 291 E C 2.096 178.886 176.600 0.317 0.000 0.948 291 E CA 0.737 57.310 56.400 0.288 0.000 0.895 291 E CB -0.067 29.779 29.700 0.243 0.000 0.865 291 E HN 0.380 nan 8.360 nan 0.000 0.486 292 A N 0.092 123.082 122.820 0.282 0.000 1.911 292 A HA -0.009 4.311 4.320 0.001 0.000 0.212 292 A C 1.655 179.160 177.584 -0.131 0.000 1.189 292 A CA 0.794 52.887 52.037 0.093 0.000 0.639 292 A CB -0.361 18.623 19.000 -0.026 0.000 0.839 292 A HN 0.161 nan 8.150 nan 0.000 0.449 293 Y N -1.273 119.122 120.300 0.158 0.000 2.422 293 Y HA 0.164 4.715 4.550 0.001 0.000 0.291 293 Y C 2.365 178.312 175.900 0.079 0.000 1.144 293 Y CA 0.642 58.791 58.100 0.081 0.000 1.208 293 Y CB -0.289 38.201 38.460 0.049 0.000 1.195 293 Y HN 0.177 nan 8.280 nan 0.000 0.535 294 R N 0.871 121.540 120.500 0.282 0.000 2.134 294 R HA -0.196 4.145 4.340 0.001 0.000 0.248 294 R C -1.001 175.386 176.300 0.145 0.000 1.143 294 R CA 2.348 58.568 56.100 0.201 0.000 0.957 294 R CB -1.407 29.037 30.300 0.240 0.000 0.867 294 R HN 0.228 nan 8.270 nan 0.000 0.441 295 P HA -0.066 nan 4.420 nan 0.000 0.226 295 P C 0.662 178.012 177.300 0.084 0.000 1.153 295 P CA 1.069 64.246 63.100 0.127 0.000 0.777 295 P CB 0.089 31.899 31.700 0.182 0.000 0.794 296 L N -2.115 119.140 121.223 0.053 0.000 2.607 296 L HA 0.163 4.504 4.340 0.001 0.000 0.228 296 L C 0.663 177.492 176.870 -0.070 0.000 1.123 296 L CA -0.092 54.722 54.840 -0.044 0.000 0.890 296 L CB -0.060 41.934 42.059 -0.107 0.000 1.103 296 L HN -0.046 nan 8.230 nan 0.000 0.468 297 L N -0.623 120.596 121.223 -0.006 0.000 2.322 297 L HA 0.286 4.627 4.340 0.001 0.000 0.279 297 L C -1.051 175.821 176.870 0.004 0.000 1.036 297 L CA -0.470 54.358 54.840 -0.019 0.000 0.807 297 L CB 1.419 43.490 42.059 0.020 0.000 1.226 297 L HN -0.075 nan 8.230 nan 0.000 0.433 298 Y N 3.694 123.894 120.300 -0.168 0.000 2.475 298 Y HA 0.220 4.771 4.550 0.001 0.000 0.343 298 Y C -0.322 175.572 175.900 -0.010 0.000 1.068 298 Y CA -1.022 57.010 58.100 -0.114 0.000 1.307 298 Y CB 0.418 38.741 38.460 -0.227 0.000 1.097 298 Y HN 0.546 nan 8.280 nan 0.000 0.530 299 K N 4.189 124.379 120.400 -0.351 0.000 3.162 299 K HA -0.231 4.089 4.320 0.001 0.000 0.268 299 K C 0.860 177.530 176.600 0.117 0.000 1.062 299 K CA 1.002 57.196 56.287 -0.155 0.000 0.769 299 K CB -1.631 30.741 32.500 -0.213 0.000 1.274 299 K HN 1.296 nan 8.250 nan 0.000 0.478 300 G N -1.588 107.263 108.800 0.086 0.000 2.234 300 G HA2 -0.251 3.710 3.960 0.001 0.000 0.235 300 G HA3 -0.251 3.710 3.960 0.001 0.000 0.235 300 G C 0.122 175.008 174.900 -0.023 0.000 0.997 300 G CA 0.219 45.456 45.100 0.229 0.000 0.623 300 G HN 0.956 nan 8.290 nan 0.000 0.514 301 A N -0.049 122.580 122.820 -0.319 0.000 2.312 301 A HA 0.875 5.195 4.320 0.001 0.000 0.326 301 A C -0.131 177.330 177.584 -0.204 0.000 1.172 301 A CA -0.009 51.746 52.037 -0.470 0.000 0.821 301 A CB 1.192 19.777 19.000 -0.692 0.000 1.166 301 A HN 1.066 nan 8.150 nan 0.000 0.493 302 M N 3.256 122.766 119.600 -0.150 0.000 2.129 302 M HA 0.456 4.936 4.480 0.001 0.000 0.348 302 M C -0.366 175.848 176.300 -0.143 0.000 1.116 302 M CA -0.494 54.742 55.300 -0.106 0.000 1.022 302 M CB 0.240 32.813 32.600 -0.045 0.000 1.599 302 M HN 0.694 nan 8.290 nan 0.000 0.449 303 M N 4.477 123.947 119.600 -0.216 0.000 2.290 303 M HA -0.034 4.447 4.480 0.001 0.000 0.356 303 M C 0.519 176.690 176.300 -0.215 0.000 1.448 303 M CA 0.121 55.280 55.300 -0.235 0.000 0.993 303 M CB 0.071 32.484 32.600 -0.311 0.000 1.934 303 M HN 0.608 nan 8.290 nan 0.000 0.461 304 D N 3.282 123.560 120.400 -0.204 0.000 2.221 304 D HA -0.183 4.457 4.640 0.001 0.000 0.204 304 D C 1.878 177.953 176.300 -0.376 0.000 0.982 304 D CA 1.534 55.397 54.000 -0.228 0.000 0.857 304 D CB -0.201 40.577 40.800 -0.038 0.000 0.934 304 D HN 0.751 nan 8.370 nan 0.000 0.475 305 M N -0.928 118.341 119.600 -0.551 0.000 2.629 305 M HA -0.039 4.442 4.480 0.001 0.000 0.257 305 M C 1.324 177.440 176.300 -0.308 0.000 1.071 305 M CA 1.134 56.146 55.300 -0.480 0.000 1.077 305 M CB 0.215 32.509 32.600 -0.510 0.000 1.423 305 M HN -0.160 nan 8.290 nan 0.000 0.508 306 V N 0.610 120.348 119.914 -0.293 0.000 3.166 306 V HA 0.263 4.383 4.120 0.001 0.000 0.332 306 V C 1.102 177.049 176.094 -0.245 0.000 1.434 306 V CA -0.096 62.048 62.300 -0.259 0.000 1.121 306 V CB -0.183 31.491 31.823 -0.249 0.000 1.062 306 V HN 0.528 nan 8.190 nan 0.000 0.489 307 R N 0.035 120.366 120.500 -0.282 0.000 2.334 307 R HA 0.439 4.779 4.340 0.001 0.000 0.212 307 R C 1.465 177.542 176.300 -0.371 0.000 0.897 307 R CA 0.523 56.484 56.100 -0.231 0.000 1.056 307 R CB 0.699 30.885 30.300 -0.190 0.000 1.046 307 R HN 0.541 nan 8.270 nan 0.000 0.513 308 G N 2.786 111.225 108.800 -0.602 0.000 2.583 308 G HA2 -0.451 3.510 3.960 0.001 0.000 0.292 308 G HA3 -0.451 3.510 3.960 0.001 0.000 0.292 308 G C 0.628 175.299 174.900 -0.382 0.000 1.203 308 G CA 0.641 45.300 45.100 -0.735 0.000 0.987 308 G HN 0.483 nan 8.290 nan 0.000 0.554 309 R N 1.221 121.591 120.500 -0.216 0.000 2.307 309 R HA 0.232 4.573 4.340 0.001 0.000 0.199 309 R C 1.874 178.055 176.300 -0.198 0.000 1.000 309 R CA 1.673 57.666 56.100 -0.177 0.000 1.023 309 R CB -0.208 30.026 30.300 -0.110 0.000 0.908 309 R HN 0.662 nan 8.270 nan 0.000 0.473 310 E N 1.639 121.725 120.200 -0.190 0.000 2.418 310 E HA -0.096 4.254 4.350 0.001 0.000 0.197 310 E C 1.827 178.268 176.600 -0.265 0.000 1.026 310 E CA 0.996 57.261 56.400 -0.226 0.000 0.862 310 E CB -0.104 29.483 29.700 -0.189 0.000 0.799 310 E HN 0.645 nan 8.360 nan 0.000 0.518 311 I N -0.847 119.517 120.570 -0.344 0.000 2.850 311 I HA -0.134 4.036 4.170 0.001 0.000 0.266 311 I C 2.014 177.947 176.117 -0.307 0.000 1.257 311 I CA 1.089 62.101 61.300 -0.480 0.000 1.465 311 I CB -0.281 37.093 38.000 -1.043 0.000 1.091 311 I HN -0.062 nan 8.210 nan 0.000 0.467 312 S N 0.558 116.148 115.700 -0.183 0.000 2.575 312 S HA 0.197 4.668 4.470 0.001 0.000 0.215 312 S C 0.869 175.557 174.600 0.146 0.000 0.966 312 S CA -0.530 57.715 58.200 0.075 0.000 0.911 312 S CB -0.238 62.936 63.200 -0.042 0.000 0.780 312 S HN 0.481 nan 8.310 nan 0.000 0.514 313 R N 2.182 122.564 120.500 -0.198 0.000 2.202 313 R HA 0.331 4.671 4.340 0.001 0.000 0.334 313 R C 1.306 177.025 176.300 -0.967 0.000 1.036 313 R CA 0.320 56.053 56.100 -0.612 0.000 0.878 313 R CB 1.010 30.757 30.300 -0.921 0.000 1.067 313 R HN 0.466 nan 8.270 nan 0.000 0.457 314 S N 2.742 117.668 115.700 -1.290 0.000 2.383 314 S HA -0.248 4.222 4.470 0.001 0.000 0.229 314 S C 1.688 175.855 174.600 -0.721 0.000 1.030 314 S CA 1.145 58.358 58.200 -1.646 0.000 1.002 314 S CB -0.446 61.741 63.200 -1.689 0.000 0.829 314 S HN 0.796 nan 8.310 nan 0.000 0.467 315 Y N 1.088 121.136 120.300 -0.420 0.000 2.578 315 Y HA 0.673 5.223 4.550 0.001 0.000 0.297 315 Y C 0.983 176.782 175.900 -0.168 0.000 1.176 315 Y CA -0.575 57.383 58.100 -0.237 0.000 1.315 315 Y CB -0.537 37.812 38.460 -0.186 0.000 1.031 315 Y HN 0.361 nan 8.280 nan 0.000 0.524 316 A N 1.053 123.565 122.820 -0.512 0.000 3.258 316 A HA 0.343 4.663 4.320 0.001 0.000 0.318 316 A C -0.224 177.248 177.584 -0.186 0.000 0.990 316 A CA -0.714 51.140 52.037 -0.304 0.000 0.885 316 A CB -0.085 18.678 19.000 -0.394 0.000 1.090 316 A HN 0.410 nan 8.150 nan 0.000 0.479 317 Q N 0.233 119.997 119.800 -0.060 0.000 2.189 317 Q HA 0.139 4.479 4.340 0.001 0.000 0.193 317 Q C 0.620 176.672 176.000 0.086 0.000 1.034 317 Q CA -0.128 55.733 55.803 0.097 0.000 1.062 317 Q CB 0.674 29.541 28.738 0.214 0.000 1.118 317 Q HN 0.676 nan 8.270 nan 0.000 0.569 318 D N -0.598 119.887 120.400 0.143 0.000 2.144 318 D HA -0.238 4.403 4.640 0.001 0.000 0.199 318 D C 1.322 177.580 176.300 -0.070 0.000 0.984 318 D CA 1.858 55.880 54.000 0.038 0.000 0.834 318 D CB -0.285 40.552 40.800 0.062 0.000 0.955 318 D HN 0.487 nan 8.370 nan 0.000 0.465 319 H N 0.260 119.339 119.070 0.015 0.000 2.403 319 H HA 0.231 4.787 4.556 0.001 0.000 0.298 319 H C 2.222 177.308 175.328 -0.403 0.000 1.059 319 H CA 1.111 57.098 56.048 -0.102 0.000 1.363 319 H CB 0.065 29.874 29.762 0.078 0.000 1.410 319 H HN 0.303 nan 8.280 nan 0.000 0.528 320 A N 0.844 123.592 122.820 -0.119 0.000 1.858 320 A HA -0.125 4.195 4.320 0.001 0.000 0.216 320 A C 2.763 180.297 177.584 -0.084 0.000 1.190 320 A CA 1.591 53.539 52.037 -0.149 0.000 0.617 320 A CB -0.941 18.042 19.000 -0.029 0.000 0.827 320 A HN 0.186 nan 8.150 nan 0.000 0.443 321 V N -0.026 119.858 119.914 -0.049 0.000 2.407 321 V HA -0.193 3.927 4.120 0.001 0.000 0.248 321 V C 2.780 178.875 176.094 0.002 0.000 1.055 321 V CA 1.985 64.270 62.300 -0.024 0.000 1.049 321 V CB -1.348 30.453 31.823 -0.036 0.000 0.662 321 V HN 0.644 nan 8.190 nan 0.000 0.455 322 G N -1.307 107.482 108.800 -0.019 0.000 2.422 322 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 322 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 322 G C 1.336 176.360 174.900 0.206 0.000 1.146 322 G CA 0.835 45.964 45.100 0.047 0.000 0.769 322 G HN 0.570 nan 8.290 nan 0.000 0.547 323 H N 0.643 119.780 119.070 0.111 0.000 2.387 323 H HA -0.029 4.527 4.556 0.001 0.000 0.299 323 H C 2.817 178.207 175.328 0.103 0.000 1.090 323 H CA 0.904 57.045 56.048 0.156 0.000 1.332 323 H CB -0.872 28.885 29.762 -0.008 0.000 1.386 323 H HN 0.328 nan 8.280 nan 0.000 0.516 324 G N 0.375 109.267 108.800 0.153 0.000 2.422 324 G HA2 -0.180 3.780 3.960 0.001 0.000 0.218 324 G HA3 -0.180 3.780 3.960 0.001 0.000 0.218 324 G C 1.896 176.824 174.900 0.048 0.000 1.146 324 G CA 0.735 45.878 45.100 0.072 0.000 0.769 324 G HN 0.349 nan 8.290 nan 0.000 0.547 325 I N 0.270 120.859 120.570 0.032 0.000 2.179 325 I HA -0.152 4.019 4.170 0.001 0.000 0.242 325 I C 2.753 178.839 176.117 -0.052 0.000 1.088 325 I CA 0.555 61.815 61.300 -0.067 0.000 1.357 325 I CB -0.170 37.795 38.000 -0.058 0.000 1.051 325 I HN 0.023 nan 8.210 nan 0.000 0.409 326 V N 0.957 120.910 119.914 0.066 0.000 2.490 326 V HA -0.280 3.841 4.120 0.001 0.000 0.250 326 V C 2.645 178.800 176.094 0.101 0.000 1.061 326 V CA 1.862 64.197 62.300 0.058 0.000 1.064 326 V CB -0.888 30.991 31.823 0.093 0.000 0.670 326 V HN 0.492 nan 8.190 nan 0.000 0.461 327 A N -0.688 122.269 122.820 0.228 0.000 1.902 327 A HA -0.196 4.124 4.320 0.001 0.000 0.217 327 A C 2.474 180.089 177.584 0.051 0.000 1.181 327 A CA 2.123 54.281 52.037 0.201 0.000 0.623 327 A CB -0.639 18.437 19.000 0.126 0.000 0.818 327 A HN 0.490 nan 8.150 nan 0.000 0.443 328 S N -0.396 115.299 115.700 -0.009 0.000 2.419 328 S HA -0.050 4.420 4.470 0.001 0.000 0.233 328 S C 1.709 176.243 174.600 -0.110 0.000 1.016 328 S CA 1.175 59.344 58.200 -0.051 0.000 0.974 328 S CB -0.430 62.714 63.200 -0.093 0.000 0.786 328 S HN 0.550 nan 8.310 nan 0.000 0.492 329 I N 0.631 121.101 120.570 -0.167 0.000 2.286 329 I HA -0.106 4.064 4.170 0.001 0.000 0.245 329 I C 2.092 178.116 176.117 -0.156 0.000 1.104 329 I CA 0.803 61.926 61.300 -0.294 0.000 1.397 329 I CB -0.378 37.448 38.000 -0.289 0.000 1.072 329 I HN 0.144 nan 8.210 nan 0.000 0.417 330 V N 1.035 120.913 119.914 -0.060 0.000 2.343 330 V HA -0.285 3.836 4.120 0.001 0.000 0.247 330 V C 2.634 178.733 176.094 0.009 0.000 1.051 330 V CA 1.918 64.213 62.300 -0.007 0.000 1.036 330 V CB -0.765 31.076 31.823 0.029 0.000 0.654 330 V HN 0.387 nan 8.190 nan 0.000 0.451 331 R N 0.317 120.817 120.500 -0.001 0.000 2.070 331 R HA -0.145 4.195 4.340 0.001 0.000 0.233 331 R C 2.001 178.380 176.300 0.132 0.000 1.137 331 R CA 1.785 57.889 56.100 0.006 0.000 0.945 331 R CB -1.151 29.151 30.300 0.003 0.000 0.845 331 R HN 0.328 nan 8.270 nan 0.000 0.430 332 L N 0.634 121.917 121.223 0.099 0.000 2.081 332 L HA -0.068 4.272 4.340 0.001 0.000 0.212 332 L C 2.052 178.917 176.870 -0.009 0.000 1.080 332 L CA 2.187 57.065 54.840 0.064 0.000 0.754 332 L CB -1.128 40.887 42.059 -0.074 0.000 0.893 332 L HN 0.400 nan 8.230 nan 0.000 0.433 333 A N -1.865 121.030 122.820 0.125 0.000 2.239 333 A HA -0.117 4.204 4.320 0.001 0.000 0.209 333 A C 1.929 179.538 177.584 0.041 0.000 1.171 333 A CA 0.645 52.760 52.037 0.130 0.000 0.768 333 A CB -0.310 18.782 19.000 0.153 0.000 0.790 333 A HN 0.486 nan 8.150 nan 0.000 0.478 334 Q N -1.319 118.554 119.800 0.120 0.000 2.331 334 Q HA 0.033 4.374 4.340 0.001 0.000 0.203 334 Q C 1.019 177.223 176.000 0.340 0.000 0.944 334 Q CA 1.197 57.146 55.803 0.242 0.000 0.892 334 Q CB -0.134 28.808 28.738 0.339 0.000 0.983 334 Q HN 0.998 nan 8.270 nan 0.000 0.482 335 F N -2.944 117.106 119.950 0.167 0.000 2.915 335 F HA 0.626 5.153 4.527 0.000 0.000 0.347 335 F C 0.391 176.217 175.800 0.044 0.000 1.104 335 F CA -0.878 57.198 58.000 0.127 0.000 1.126 335 F CB -0.199 38.916 39.000 0.191 0.000 1.145 335 F HN -0.193 nan 8.300 nan 0.000 0.541 336 A N 2.567 124.989 122.820 -0.664 0.000 2.531 336 A HA 0.443 4.763 4.320 0.001 0.000 0.236 336 A C -2.148 175.117 177.584 -0.531 0.000 1.062 336 A CA -0.897 50.634 52.037 -0.844 0.000 0.760 336 A CB -0.577 17.846 19.000 -0.962 0.000 0.995 336 A HN 0.198 nan 8.150 nan 0.000 0.501 337 P HA 0.130 nan 4.420 nan 0.000 0.270 337 P C 1.170 178.279 177.300 -0.319 0.000 1.221 337 P CA 0.658 63.587 63.100 -0.284 0.000 0.788 337 P CB 0.450 32.036 31.700 -0.190 0.000 0.904 338 A N 3.633 126.323 122.820 -0.216 0.000 1.883 338 A HA -0.237 4.083 4.320 0.001 0.000 0.222 338 A C -0.358 177.050 177.584 -0.294 0.000 1.339 338 A CA 2.635 54.544 52.037 -0.213 0.000 0.692 338 A CB -2.790 16.119 19.000 -0.152 0.000 0.845 338 A HN 0.555 nan 8.150 nan 0.000 0.467 339 P HA -0.171 nan 4.420 nan 0.000 0.213 339 P C 1.225 178.170 177.300 -0.592 0.000 1.170 339 P CA 1.690 64.506 63.100 -0.473 0.000 0.902 339 P CB -0.376 30.970 31.700 -0.589 0.000 0.789 340 H N -0.562 118.176 119.070 -0.554 0.000 2.353 340 H HA -0.004 4.552 4.556 0.001 0.000 0.300 340 H C 2.005 176.627 175.328 -1.176 0.000 1.090 340 H CA 1.541 57.027 56.048 -0.936 0.000 1.327 340 H CB -1.015 27.915 29.762 -1.387 0.000 1.383 340 H HN 0.078 nan 8.280 nan 0.000 0.508 341 A N 1.610 123.986 122.820 -0.740 0.000 1.873 341 A HA -0.200 4.121 4.320 0.001 0.000 0.218 341 A C 2.755 180.180 177.584 -0.266 0.000 1.193 341 A CA 2.339 54.092 52.037 -0.474 0.000 0.629 341 A CB -1.031 17.789 19.000 -0.300 0.000 0.826 341 A HN 0.459 nan 8.150 nan 0.000 0.447 342 A N -0.550 122.129 122.820 -0.234 0.000 1.933 342 A HA 0.188 4.509 4.320 0.001 0.000 0.218 342 A C 2.485 180.017 177.584 -0.086 0.000 1.175 342 A CA 2.067 54.025 52.037 -0.131 0.000 0.628 342 A CB -0.947 17.974 19.000 -0.131 0.000 0.814 342 A HN 1.118 nan 8.150 nan 0.000 0.444 343 A N -0.770 121.971 122.820 -0.131 0.000 1.902 343 A HA -0.030 4.291 4.320 0.001 0.000 0.217 343 A C 2.084 179.790 177.584 0.203 0.000 1.181 343 A CA 1.318 53.361 52.037 0.011 0.000 0.623 343 A CB -0.803 18.224 19.000 0.045 0.000 0.818 343 A HN 0.565 nan 8.150 nan 0.000 0.443 344 F N 0.088 120.051 119.950 0.021 0.000 2.102 344 F HA -0.220 4.307 4.527 0.001 0.000 0.298 344 F C 2.497 178.278 175.800 -0.032 0.000 1.105 344 F CA 1.369 59.364 58.000 -0.008 0.000 1.239 344 F CB -0.215 38.742 39.000 -0.071 0.000 0.991 344 F HN 0.173 nan 8.300 nan 0.000 0.474 345 K N 0.294 120.788 120.400 0.157 0.000 2.063 345 K HA -0.238 4.082 4.320 0.001 0.000 0.208 345 K C 1.946 178.562 176.600 0.027 0.000 1.048 345 K CA 1.561 57.881 56.287 0.055 0.000 0.928 345 K CB -0.339 32.172 32.500 0.017 0.000 0.713 345 K HN 0.402 nan 8.250 nan 0.000 0.442 346 Q N 0.404 120.227 119.800 0.037 0.000 2.084 346 Q HA -0.113 4.227 4.340 0.001 0.000 0.202 346 Q C 2.204 178.217 176.000 0.021 0.000 0.978 346 Q CA 1.202 57.015 55.803 0.017 0.000 0.844 346 Q CB -0.088 28.659 28.738 0.014 0.000 0.898 346 Q HN 0.375 nan 8.270 nan 0.000 0.426 347 I N 0.476 121.085 120.570 0.065 0.000 2.202 347 I HA -0.247 3.923 4.170 0.001 0.000 0.242 347 I C 2.450 178.555 176.117 -0.019 0.000 1.091 347 I CA 0.934 62.265 61.300 0.052 0.000 1.368 347 I CB -0.441 37.631 38.000 0.121 0.000 1.058 347 I HN 0.133 nan 8.210 nan 0.000 0.410 348 A N 0.747 123.540 122.820 -0.044 0.000 1.902 348 A HA -0.259 4.062 4.320 0.001 0.000 0.217 348 A C 2.387 179.859 177.584 -0.186 0.000 1.181 348 A CA 1.855 53.805 52.037 -0.145 0.000 0.623 348 A CB -0.545 18.359 19.000 -0.161 0.000 0.818 348 A HN 0.325 nan 8.150 nan 0.000 0.443 349 K N -0.614 119.715 120.400 -0.118 0.000 2.063 349 K HA -0.203 4.118 4.320 0.001 0.000 0.208 349 K C 2.404 178.941 176.600 -0.104 0.000 1.048 349 K CA 1.469 57.690 56.287 -0.110 0.000 0.928 349 K CB -0.193 32.272 32.500 -0.058 0.000 0.713 349 K HN 0.362 nan 8.250 nan 0.000 0.442 350 R N 0.733 121.187 120.500 -0.076 0.000 2.081 350 R HA -0.107 4.234 4.340 0.001 0.000 0.235 350 R C 1.954 178.204 176.300 -0.083 0.000 1.131 350 R CA 1.548 57.610 56.100 -0.063 0.000 0.960 350 R CB -0.401 29.874 30.300 -0.042 0.000 0.856 350 R HN 0.138 nan 8.270 nan 0.000 0.436 351 V N 1.598 121.449 119.914 -0.105 0.000 2.453 351 V HA -0.205 3.915 4.120 0.001 0.000 0.247 351 V C 2.486 178.492 176.094 -0.147 0.000 1.048 351 V CA 1.088 63.325 62.300 -0.104 0.000 1.049 351 V CB -0.373 31.396 31.823 -0.090 0.000 0.672 351 V HN 0.209 nan 8.190 nan 0.000 0.457 352 I N 0.103 120.509 120.570 -0.273 0.000 2.226 352 I HA -0.254 3.917 4.170 0.001 0.000 0.245 352 I C 2.530 178.542 176.117 -0.175 0.000 1.100 352 I CA 1.639 62.722 61.300 -0.361 0.000 1.374 352 I CB -1.395 36.303 38.000 -0.503 0.000 1.057 352 I HN 0.427 nan 8.210 nan 0.000 0.413 353 Q N 0.367 120.097 119.800 -0.116 0.000 2.119 353 Q HA -0.179 4.161 4.340 0.001 0.000 0.201 353 Q C 2.150 178.134 176.000 -0.026 0.000 0.972 353 Q CA 1.205 56.976 55.803 -0.054 0.000 0.847 353 Q CB -0.048 28.665 28.738 -0.041 0.000 0.903 353 Q HN 0.551 nan 8.270 nan 0.000 0.433 354 E N 0.720 120.901 120.200 -0.032 0.000 2.106 354 E HA -0.131 4.220 4.350 0.001 0.000 0.192 354 E C 0.256 176.879 176.600 0.039 0.000 0.984 354 E CA 0.411 56.803 56.400 -0.014 0.000 0.806 354 E CB 0.116 29.783 29.700 -0.054 0.000 0.750 354 E HN 0.136 nan 8.360 nan 0.000 0.458 355 D N 0.649 121.093 120.400 0.074 0.000 2.455 355 D HA -0.027 4.613 4.640 0.001 0.000 0.234 355 D C 0.536 176.915 176.300 0.133 0.000 1.224 355 D CA 0.167 54.270 54.000 0.172 0.000 0.999 355 D CB 0.434 41.415 40.800 0.301 0.000 1.072 355 D HN 0.055 nan 8.370 nan 0.000 0.514 356 T N -0.003 114.623 114.554 0.120 0.000 3.129 356 T HA -0.054 4.297 4.350 0.001 0.000 0.251 356 T C 1.636 176.391 174.700 0.093 0.000 1.117 356 T CA -0.216 61.936 62.100 0.087 0.000 1.034 356 T CB -0.282 68.631 68.868 0.076 0.000 0.968 356 T HN 0.269 nan 8.240 nan 0.000 0.526 357 F N 2.656 122.585 119.950 -0.035 0.000 2.074 357 F HA 0.374 4.901 4.527 0.001 0.000 0.290 357 F C 0.898 176.660 175.800 -0.062 0.000 1.118 357 F CA 0.565 58.501 58.000 -0.108 0.000 1.199 357 F CB -0.385 38.412 39.000 -0.339 0.000 1.012 357 F HN 0.200 nan 8.300 nan 0.000 0.472 358 S N 0.106 115.637 115.700 -0.282 0.000 2.561 358 S HA 0.405 4.876 4.470 0.001 0.000 0.303 358 S C -0.647 174.018 174.600 0.108 0.000 1.110 358 S CA -0.691 57.363 58.200 -0.244 0.000 1.034 358 S CB 0.916 64.009 63.200 -0.179 0.000 1.010 358 S HN 0.397 nan 8.310 nan 0.000 0.482 359 S N 4.288 119.999 115.700 0.017 0.000 2.525 359 S HA 0.114 4.584 4.470 0.001 0.000 0.285 359 S C 1.023 175.581 174.600 -0.070 0.000 1.283 359 S CA -0.343 57.861 58.200 0.007 0.000 1.072 359 S CB -0.383 62.836 63.200 0.031 0.000 0.867 359 S HN 0.739 nan 8.310 nan 0.000 0.492 360 F N 6.584 126.227 119.950 -0.512 0.000 2.065 360 F HA -0.180 4.347 4.527 0.001 0.000 0.298 360 F C 1.182 176.698 175.800 -0.473 0.000 1.112 360 F CA 1.768 59.220 58.000 -0.912 0.000 1.212 360 F CB -0.531 37.916 39.000 -0.921 0.000 0.975 360 F HN 0.824 nan 8.300 nan 0.000 0.476 361 Y N 0.782 121.026 120.300 -0.093 0.000 2.569 361 Y HA -0.008 4.543 4.550 0.001 0.000 0.293 361 Y C 2.589 178.392 175.900 -0.162 0.000 1.144 361 Y CA 0.587 58.603 58.100 -0.140 0.000 1.321 361 Y CB -1.628 36.843 38.460 0.019 0.000 0.982 361 Y HN 0.187 nan 8.280 nan 0.000 0.558 362 G N 0.306 109.095 108.800 -0.019 0.000 2.408 362 G HA2 -0.195 3.765 3.960 0.001 0.000 0.217 362 G HA3 -0.195 3.765 3.960 0.001 0.000 0.217 362 G C 0.319 175.200 174.900 -0.032 0.000 1.150 362 G CA 1.161 46.259 45.100 -0.004 0.000 0.776 362 G HN 0.470 nan 8.290 nan 0.000 0.542 363 D N -0.580 119.781 120.400 -0.065 0.000 2.945 363 D HA 0.317 4.957 4.640 0.001 0.000 0.366 363 D C 0.014 176.241 176.300 -0.121 0.000 1.352 363 D CA -0.648 53.321 54.000 -0.052 0.000 0.810 363 D CB 0.218 41.029 40.800 0.018 0.000 1.170 363 D HN 0.372 nan 8.370 nan 0.000 0.461 364 V N -2.735 117.062 119.914 -0.194 0.000 3.130 364 V HA 0.821 4.941 4.120 0.001 0.000 0.310 364 V C 0.330 176.354 176.094 -0.117 0.000 1.158 364 V CA -0.956 61.218 62.300 -0.209 0.000 1.029 364 V CB 1.388 32.947 31.823 -0.439 0.000 1.057 364 V HN 0.242 nan 8.190 nan 0.000 0.436 365 S N 0.700 116.349 115.700 -0.084 0.000 2.569 365 S HA 0.087 4.558 4.470 0.001 0.000 0.274 365 S C 1.407 175.978 174.600 -0.048 0.000 1.353 365 S CA 0.486 58.648 58.200 -0.062 0.000 1.023 365 S CB 0.730 63.886 63.200 -0.074 0.000 0.876 365 S HN 1.816 nan 8.310 nan 0.000 0.540 366 T N -1.321 113.209 114.554 -0.040 0.000 2.833 366 T HA -0.171 4.180 4.350 0.001 0.000 0.269 366 T C 1.210 175.893 174.700 -0.028 0.000 1.054 366 T CA 1.601 63.683 62.100 -0.031 0.000 1.135 366 T CB -0.749 68.101 68.868 -0.030 0.000 0.869 366 T HN 0.742 nan 8.240 nan 0.000 0.466 367 D N 1.034 121.407 120.400 -0.044 0.000 2.224 367 D HA -0.036 4.604 4.640 0.001 0.000 0.205 367 D C 2.134 178.420 176.300 -0.023 0.000 0.965 367 D CA 1.087 55.058 54.000 -0.047 0.000 0.852 367 D CB -0.356 40.391 40.800 -0.088 0.000 0.947 367 D HN 0.399 nan 8.370 nan 0.000 0.494 368 T N -0.104 114.446 114.554 -0.008 0.000 2.777 368 T HA -0.059 4.292 4.350 0.001 0.000 0.266 368 T C 2.016 176.813 174.700 0.161 0.000 1.040 368 T CA 0.772 62.908 62.100 0.060 0.000 1.141 368 T CB -0.146 68.746 68.868 0.040 0.000 0.868 368 T HN 0.217 nan 8.240 nan 0.000 0.444 369 I N 0.656 121.304 120.570 0.130 0.000 2.394 369 I HA -0.124 4.046 4.170 0.001 0.000 0.251 369 I C 2.767 178.919 176.117 0.058 0.000 1.136 369 I CA 1.060 62.466 61.300 0.176 0.000 1.425 369 I CB -0.366 37.665 38.000 0.051 0.000 1.079 369 I HN 0.125 nan 8.210 nan 0.000 0.425 370 R N 1.010 121.522 120.500 0.020 0.000 2.061 370 R HA -0.162 4.178 4.340 0.001 0.000 0.230 370 R C 2.299 178.609 176.300 0.018 0.000 1.140 370 R CA 1.506 57.602 56.100 -0.007 0.000 0.940 370 R CB -0.111 30.180 30.300 -0.014 0.000 0.839 370 R HN 0.135 nan 8.270 nan 0.000 0.429 371 L N 0.641 121.884 121.223 0.035 0.000 2.083 371 L HA -0.069 4.272 4.340 0.001 0.000 0.209 371 L C 2.414 179.320 176.870 0.060 0.000 1.083 371 L CA 1.989 56.852 54.840 0.037 0.000 0.752 371 L CB -1.000 41.072 42.059 0.021 0.000 0.899 371 L HN 0.319 nan 8.230 nan 0.000 0.433 372 A N -0.875 122.020 122.820 0.124 0.000 1.854 372 A HA -0.216 4.104 4.320 0.001 0.000 0.214 372 A C 2.379 180.041 177.584 0.130 0.000 1.192 372 A CA 1.574 53.694 52.037 0.139 0.000 0.611 372 A CB -0.486 18.693 19.000 0.298 0.000 0.832 372 A HN 0.246 nan 8.150 nan 0.000 0.442 373 K N -0.003 120.475 120.400 0.132 0.000 2.173 373 K HA -0.144 4.177 4.320 0.001 0.000 0.207 373 K C 1.816 178.422 176.600 0.011 0.000 1.046 373 K CA 1.538 57.837 56.287 0.019 0.000 0.929 373 K CB -0.388 32.035 32.500 -0.128 0.000 0.720 373 K HN 0.434 nan 8.250 nan 0.000 0.453 374 A N -0.417 122.411 122.820 0.013 0.000 2.119 374 A HA 0.015 4.336 4.320 0.001 0.000 0.217 374 A C 1.922 179.511 177.584 0.008 0.000 1.153 374 A CA 0.945 52.985 52.037 0.005 0.000 0.692 374 A CB -0.342 18.662 19.000 0.006 0.000 0.799 374 A HN 0.289 nan 8.150 nan 0.000 0.458 375 I N -1.200 119.378 120.570 0.013 0.000 2.628 375 I HA -0.079 4.092 4.170 0.001 0.000 0.255 375 I C 2.108 178.224 176.117 -0.001 0.000 1.119 375 I CA 0.494 61.795 61.300 0.002 0.000 1.448 375 I CB -0.047 37.949 38.000 -0.008 0.000 1.133 375 I HN 0.087 nan 8.210 nan 0.000 0.438 376 V N 0.739 120.661 119.914 0.013 0.000 2.427 376 V HA -0.244 3.876 4.120 0.001 0.000 0.248 376 V C 1.673 177.775 176.094 0.014 0.000 1.051 376 V CA 1.762 64.072 62.300 0.017 0.000 1.048 376 V CB -0.620 31.242 31.823 0.065 0.000 0.666 376 V HN 0.403 nan 8.190 nan 0.000 0.456 377 D N -0.649 119.758 120.400 0.012 0.000 2.323 377 D HA -0.022 4.619 4.640 0.001 0.000 0.209 377 D C 0.913 177.211 176.300 -0.003 0.000 0.973 377 D CA 0.319 54.320 54.000 0.002 0.000 0.874 377 D CB -0.093 40.704 40.800 -0.005 0.000 0.930 377 D HN 0.374 nan 8.370 nan 0.000 0.521 378 D N 2.090 122.488 120.400 -0.003 0.000 2.349 378 D HA -0.012 4.628 4.640 0.001 0.000 0.266 378 D C -1.275 175.020 176.300 -0.008 0.000 1.293 378 D CA -1.532 52.464 54.000 -0.007 0.000 0.926 378 D CB 1.531 42.327 40.800 -0.007 0.000 1.090 378 D HN 0.044 nan 8.370 nan 0.000 0.502 379 P HA -0.144 nan 4.420 nan 0.000 0.225 379 P C 1.083 178.376 177.300 -0.011 0.000 1.148 379 P CA 0.663 63.758 63.100 -0.009 0.000 0.779 379 P CB 0.181 31.876 31.700 -0.008 0.000 0.780 380 S N -0.855 114.837 115.700 -0.013 0.000 2.489 380 S HA 0.024 4.495 4.470 0.001 0.000 0.228 380 S C 1.088 175.676 174.600 -0.019 0.000 0.995 380 S CA -0.024 58.166 58.200 -0.017 0.000 0.934 380 S CB -0.936 62.253 63.200 -0.018 0.000 0.771 380 S HN 0.072 nan 8.310 nan 0.000 0.522 381 I N 2.604 123.163 120.570 -0.018 0.000 2.301 381 I HA 0.442 4.612 4.170 0.001 0.000 0.292 381 I C 0.460 176.566 176.117 -0.019 0.000 1.046 381 I CA -0.565 60.723 61.300 -0.020 0.000 1.282 381 I CB 0.954 38.944 38.000 -0.018 0.000 1.409 381 I HN 0.238 nan 8.210 nan 0.000 0.484 382 A N 8.858 131.666 122.820 -0.020 0.000 2.304 382 A HA 0.675 4.995 4.320 0.001 0.000 0.301 382 A C -2.488 175.085 177.584 -0.019 0.000 1.132 382 A CA -1.629 50.396 52.037 -0.019 0.000 0.819 382 A CB 0.199 19.187 19.000 -0.020 0.000 1.094 382 A HN 0.400 nan 8.150 nan 0.000 0.492 383 P HA 0.276 nan 4.420 nan 0.000 0.267 383 P C -0.016 177.274 177.300 -0.016 0.000 1.205 383 P CA 0.264 63.351 63.100 -0.021 0.000 0.765 383 P CB 0.693 32.379 31.700 -0.024 0.000 0.828 384 A N 3.618 126.433 122.820 -0.009 0.000 2.448 384 A HA 0.451 4.771 4.320 0.001 0.000 0.239 384 A C 0.685 178.263 177.584 -0.009 0.000 1.080 384 A CA 0.133 52.168 52.037 -0.003 0.000 0.779 384 A CB -0.358 18.655 19.000 0.021 0.000 1.026 384 A HN 0.605 nan 8.150 nan 0.000 0.499 385 A N 0.300 123.113 122.820 -0.012 0.000 2.386 385 A HA 0.559 4.880 4.320 0.001 0.000 0.246 385 A C 0.803 178.382 177.584 -0.010 0.000 1.089 385 A CA 0.217 52.245 52.037 -0.014 0.000 0.790 385 A CB -0.258 18.732 19.000 -0.018 0.000 1.042 385 A HN 2.196 nan 8.150 nan 0.000 0.497 386 A N 1.845 124.657 122.820 -0.013 0.000 2.340 386 A HA 0.620 4.940 4.320 0.001 0.000 0.268 386 A C -1.950 175.632 177.584 -0.004 0.000 1.100 386 A CA -1.313 50.716 52.037 -0.013 0.000 0.803 386 A CB -0.379 18.610 19.000 -0.018 0.000 1.043 386 A HN 0.724 nan 8.150 nan 0.000 0.488 387 P HA 0.177 nan 4.420 nan 0.000 0.275 387 P C -1.090 176.208 177.300 -0.004 0.000 1.227 387 P CA -0.245 62.861 63.100 0.009 0.000 0.781 387 P CB 0.632 32.351 31.700 0.031 0.000 0.906 388 N N 2.727 121.416 118.700 -0.020 0.000 2.640 388 N HA 0.403 5.144 4.740 0.001 0.000 0.262 388 N C -0.933 174.548 175.510 -0.048 0.000 1.174 388 N CA -0.579 52.447 53.050 -0.041 0.000 0.791 388 N CB 0.187 38.647 38.487 -0.044 0.000 1.279 388 N HN 0.215 nan 8.380 nan 0.000 0.535 389 L N 0.110 121.310 121.223 -0.038 0.000 2.947 389 L HA 0.666 5.006 4.340 0.001 0.000 0.272 389 L C -1.977 174.915 176.870 0.036 0.000 1.071 389 L CA -1.314 53.510 54.840 -0.026 0.000 0.987 389 L CB 0.052 42.093 42.059 -0.031 0.000 1.577 389 L HN 0.302 nan 8.230 nan 0.000 0.373 390 Y N 0.293 120.550 120.300 -0.072 0.000 2.386 390 Y HA 0.756 5.306 4.550 0.001 0.000 0.334 390 Y C -0.971 174.894 175.900 -0.058 0.000 1.002 390 Y CA -0.591 57.487 58.100 -0.038 0.000 1.068 390 Y CB 1.607 40.057 38.460 -0.016 0.000 1.203 390 Y HN 0.827 nan 8.280 nan 0.000 0.443 391 K N 4.809 124.757 120.400 -0.753 0.000 2.443 391 K HA 0.357 4.678 4.320 0.001 0.000 0.252 391 K C -1.620 174.520 176.600 -0.766 0.000 0.933 391 K CA -0.933 54.968 56.287 -0.643 0.000 0.792 391 K CB 1.913 34.096 32.500 -0.528 0.000 1.185 391 K HN 0.735 nan 8.250 nan 0.000 0.425 392 Q N 2.955 122.428 119.800 -0.545 0.000 2.368 392 Q HA 0.222 4.563 4.340 0.001 0.000 0.256 392 Q C -1.696 174.126 176.000 -0.297 0.000 0.980 392 Q CA -0.283 55.334 55.803 -0.310 0.000 0.887 392 Q CB 0.667 29.357 28.738 -0.080 0.000 1.221 392 Q HN 0.468 nan 8.270 nan 0.000 0.458 393 Y N 2.992 123.221 120.300 -0.118 0.000 2.714 393 Y HA 0.313 4.863 4.550 0.001 0.000 0.333 393 Y C 1.160 176.998 175.900 -0.102 0.000 1.220 393 Y CA -0.262 57.776 58.100 -0.104 0.000 1.513 393 Y CB 0.354 38.750 38.460 -0.108 0.000 1.435 393 Y HN 0.885 nan 8.280 nan 0.000 0.489 394 A N 2.073 124.893 122.820 0.000 0.000 1.978 394 A HA -0.201 4.119 4.320 0.001 0.000 0.220 394 A C 2.301 179.843 177.584 -0.071 0.000 1.170 394 A CA 1.849 53.871 52.037 -0.024 0.000 0.636 394 A CB -0.537 18.442 19.000 -0.036 0.000 0.810 394 A HN 0.708 nan 8.150 nan 0.000 0.448 395 A N -0.564 122.171 122.820 -0.142 0.000 2.209 395 A HA 0.226 4.547 4.320 0.001 0.000 0.212 395 A C 1.730 179.103 177.584 -0.351 0.000 1.158 395 A CA 1.316 53.140 52.037 -0.356 0.000 0.742 395 A CB -0.560 17.967 19.000 -0.788 0.000 0.790 395 A HN 0.914 nan 8.150 nan 0.000 0.472 396 M N -3.996 115.493 119.600 -0.186 0.000 2.540 396 M HA 0.321 4.801 4.480 0.001 0.000 0.404 396 M C -0.862 175.404 176.300 -0.057 0.000 1.133 396 M CA -0.241 54.969 55.300 -0.151 0.000 0.900 396 M CB 0.355 32.845 32.600 -0.184 0.000 1.540 396 M HN -0.047 nan 8.290 nan 0.000 0.539 397 D N 2.290 122.682 120.400 -0.014 0.000 2.689 397 D HA -0.126 4.515 4.640 0.001 0.000 0.237 397 D C -0.621 175.707 176.300 0.046 0.000 1.148 397 D CA 0.885 54.910 54.000 0.041 0.000 0.656 397 D CB -0.444 40.400 40.800 0.073 0.000 1.050 397 D HN 0.525 nan 8.370 nan 0.000 0.426 398 R N -0.449 120.079 120.500 0.046 0.000 2.854 398 R HA 0.917 5.257 4.340 0.001 0.000 0.271 398 R C -0.280 176.083 176.300 0.105 0.000 0.994 398 R CA -0.758 55.364 56.100 0.037 0.000 0.945 398 R CB 2.214 32.481 30.300 -0.056 0.000 1.194 398 R HN 0.088 nan 8.270 nan 0.000 0.476 399 A N 0.851 123.708 122.820 0.061 0.000 2.547 399 A HA 0.662 4.983 4.320 0.001 0.000 0.297 399 A C -1.224 176.350 177.584 -0.017 0.000 1.056 399 A CA -0.608 51.423 52.037 -0.010 0.000 0.688 399 A CB 1.676 20.668 19.000 -0.014 0.000 1.282 399 A HN 0.299 nan 8.150 nan 0.000 0.400 400 V N 0.991 120.843 119.914 -0.104 0.000 2.823 400 V HA 0.794 4.915 4.120 0.001 0.000 0.312 400 V C -0.973 175.095 176.094 -0.043 0.000 1.072 400 V CA -0.695 61.593 62.300 -0.020 0.000 0.937 400 V CB 1.731 33.585 31.823 0.052 0.000 1.013 400 V HN 0.949 nan 8.190 nan 0.000 0.430 401 L N 2.888 124.165 121.223 0.091 0.000 2.406 401 L HA 0.591 4.932 4.340 0.001 0.000 0.272 401 L C -0.708 176.199 176.870 0.061 0.000 0.980 401 L CA 0.064 54.995 54.840 0.151 0.000 0.831 401 L CB 1.881 44.111 42.059 0.286 0.000 1.253 401 L HN 0.715 nan 8.230 nan 0.000 0.406 402 Q N 5.319 125.119 119.800 0.001 0.000 2.333 402 Q HA 0.568 4.909 4.340 0.001 0.000 0.268 402 Q C -0.936 174.971 176.000 -0.155 0.000 1.007 402 Q CA -0.827 54.947 55.803 -0.049 0.000 0.810 402 Q CB 2.541 31.288 28.738 0.015 0.000 1.264 402 Q HN 0.471 nan 8.270 nan 0.000 0.452 403 R N 1.962 122.253 120.500 -0.349 0.000 2.888 403 R HA 0.422 4.762 4.340 0.001 0.000 0.266 403 R C -1.650 174.509 176.300 -0.235 0.000 1.020 403 R CA -2.185 53.673 56.100 -0.404 0.000 0.963 403 R CB 0.426 30.202 30.300 -0.872 0.000 1.197 403 R HN 0.297 nan 8.270 nan 0.000 0.481 404 P HA -0.168 nan 4.420 nan 0.000 0.216 404 P C 1.008 178.337 177.300 0.048 0.000 1.157 404 P CA 1.823 64.915 63.100 -0.014 0.000 0.880 404 P CB 0.155 31.861 31.700 0.010 0.000 0.791 405 G N -1.683 107.154 108.800 0.061 0.000 2.683 405 G HA2 0.218 4.179 3.960 0.001 0.000 0.213 405 G HA3 0.218 4.179 3.960 0.001 0.000 0.213 405 G C 0.514 175.622 174.900 0.348 0.000 1.142 405 G CA 0.185 45.414 45.100 0.215 0.000 0.793 405 G HN 0.441 nan 8.290 nan 0.000 0.534 406 F N -2.105 117.956 119.950 0.185 0.000 2.923 406 F HA 0.844 5.371 4.527 0.001 0.000 0.323 406 F C -0.718 175.087 175.800 0.008 0.000 1.189 406 F CA -1.647 56.401 58.000 0.080 0.000 0.930 406 F CB 1.206 40.230 39.000 0.040 0.000 1.414 406 F HN 0.151 nan 8.300 nan 0.000 0.496 407 A N 0.925 123.793 122.820 0.081 0.000 2.594 407 A HA 0.783 5.103 4.320 0.001 0.000 0.295 407 A C -2.536 175.244 177.584 0.327 0.000 1.071 407 A CA -0.676 51.386 52.037 0.042 0.000 0.685 407 A CB 1.811 20.679 19.000 -0.219 0.000 1.285 407 A HN 1.252 nan 8.150 nan 0.000 0.405 408 L N 1.140 122.548 121.223 0.308 0.000 2.385 408 L HA 0.809 5.150 4.340 0.001 0.000 0.273 408 L C 0.169 177.188 176.870 0.248 0.000 0.990 408 L CA 0.116 55.147 54.840 0.318 0.000 0.821 408 L CB 2.096 44.340 42.059 0.308 0.000 1.279 408 L HN 0.988 nan 8.230 nan 0.000 0.412 409 G N 5.255 114.239 108.800 0.307 0.000 2.417 409 G HA2 0.560 4.520 3.960 0.001 0.000 0.320 409 G HA3 0.560 4.520 3.960 0.001 0.000 0.320 409 G C -1.627 173.394 174.900 0.202 0.000 1.204 409 G CA -0.475 44.761 45.100 0.227 0.000 0.923 409 G HN 0.611 nan 8.290 nan 0.000 0.466 410 L N 2.349 123.610 121.223 0.063 0.000 2.319 410 L HA 0.686 5.027 4.340 0.001 0.000 0.281 410 L C 0.083 176.940 176.870 -0.022 0.000 1.005 410 L CA -0.897 53.901 54.840 -0.070 0.000 0.828 410 L CB 1.673 43.587 42.059 -0.242 0.000 1.227 410 L HN 0.595 nan 8.230 nan 0.000 0.415 411 A N 6.366 129.218 122.820 0.053 0.000 2.258 411 A HA 0.707 5.028 4.320 0.001 0.000 0.316 411 A C -0.929 176.727 177.584 0.120 0.000 1.279 411 A CA -0.511 51.585 52.037 0.098 0.000 0.876 411 A CB 0.690 19.809 19.000 0.198 0.000 1.170 411 A HN 0.515 nan 8.150 nan 0.000 0.520 412 L N 1.533 122.835 121.223 0.130 0.000 2.271 412 L HA 0.736 5.077 4.340 0.001 0.000 0.265 412 L C -0.234 176.823 176.870 0.312 0.000 1.013 412 L CA -0.601 54.375 54.840 0.226 0.000 0.820 412 L CB 1.154 43.321 42.059 0.180 0.000 1.352 412 L HN 0.877 nan 8.230 nan 0.000 0.443 413 Y N -1.274 119.117 120.300 0.152 0.000 2.670 413 Y HA 0.749 5.300 4.550 0.001 0.000 0.334 413 Y C -0.425 175.551 175.900 0.128 0.000 1.185 413 Y CA -0.517 57.655 58.100 0.120 0.000 1.053 413 Y CB 1.735 40.279 38.460 0.141 0.000 1.298 413 Y HN 0.735 nan 8.280 nan 0.000 0.459 414 S N -1.092 114.574 115.700 -0.058 0.000 2.979 414 S HA 0.183 4.654 4.470 0.001 0.000 0.302 414 S C 0.346 174.933 174.600 -0.021 0.000 1.250 414 S CA -0.241 57.869 58.200 -0.150 0.000 1.148 414 S CB 0.390 63.577 63.200 -0.022 0.000 1.409 414 S HN 1.285 nan 8.310 nan 0.000 0.517 415 T N -0.635 113.914 114.554 -0.008 0.000 3.072 415 T HA 0.162 4.513 4.350 0.001 0.000 0.266 415 T C 1.330 176.033 174.700 0.005 0.000 1.127 415 T CA 0.821 62.928 62.100 0.013 0.000 1.107 415 T CB -0.428 68.450 68.868 0.017 0.000 0.910 415 T HN 0.564 nan 8.240 nan 0.000 0.513 416 R N -0.181 120.318 120.500 -0.002 0.000 2.221 416 R HA 0.379 4.719 4.340 0.001 0.000 0.195 416 R C -0.035 176.230 176.300 -0.058 0.000 0.956 416 R CA 0.125 56.209 56.100 -0.028 0.000 1.064 416 R CB 0.492 30.775 30.300 -0.029 0.000 1.049 416 R HN 0.322 nan 8.270 nan 0.000 0.534 417 I N 1.293 121.850 120.570 -0.021 0.000 2.465 417 I HA 0.240 4.410 4.170 0.001 0.000 0.291 417 I C -0.001 176.139 176.117 0.037 0.000 1.014 417 I CA -0.682 60.590 61.300 -0.048 0.000 1.093 417 I CB 1.842 39.841 38.000 -0.002 0.000 1.267 417 I HN -0.031 nan 8.210 nan 0.000 0.431 418 S N 3.178 118.773 115.700 -0.175 0.000 2.579 418 S HA 0.088 4.559 4.470 0.001 0.000 0.275 418 S C 1.488 176.107 174.600 0.032 0.000 1.345 418 S CA -0.231 57.910 58.200 -0.100 0.000 1.031 418 S CB 0.929 63.871 63.200 -0.430 0.000 0.892 418 S HN 0.775 nan 8.310 nan 0.000 0.529 419 S N 0.886 116.511 115.700 -0.126 0.000 2.370 419 S HA -0.100 4.371 4.470 0.001 0.000 0.226 419 S C 0.249 174.944 174.600 0.157 0.000 1.033 419 S CA 1.353 59.366 58.200 -0.312 0.000 1.011 419 S CB -0.761 62.189 63.200 -0.416 0.000 0.852 419 S HN 0.978 nan 8.310 nan 0.000 0.457 420 Y N -1.097 119.231 120.300 0.046 0.000 2.732 420 Y HA 0.695 5.246 4.550 0.001 0.000 0.342 420 Y C -1.286 174.710 175.900 0.160 0.000 1.203 420 Y CA -1.630 56.511 58.100 0.068 0.000 1.092 420 Y CB 0.527 38.934 38.460 -0.088 0.000 1.345 420 Y HN 0.158 nan 8.280 nan 0.000 0.458 421 E N 1.284 121.341 120.200 -0.237 0.000 2.195 421 E HA 0.660 5.011 4.350 0.001 0.000 0.271 421 E C -1.517 174.896 176.600 -0.312 0.000 0.923 421 E CA -0.868 55.203 56.400 -0.547 0.000 0.790 421 E CB 1.727 30.800 29.700 -1.045 0.000 1.155 421 E HN 0.731 nan 8.360 nan 0.000 0.402 422 S N 5.565 121.097 115.700 -0.281 0.000 2.511 422 S HA 0.395 4.865 4.470 0.001 0.000 0.233 422 S C -0.927 173.624 174.600 -0.081 0.000 1.104 422 S CA -0.686 57.442 58.200 -0.119 0.000 1.129 422 S CB -0.150 63.043 63.200 -0.011 0.000 1.159 422 S HN 0.535 nan 8.310 nan 0.000 0.451 423 I N 0.859 121.396 120.570 -0.055 0.000 3.042 423 I HA 0.634 4.804 4.170 0.001 0.000 0.310 423 I C 0.045 176.164 176.117 0.003 0.000 1.117 423 I CA -1.262 60.030 61.300 -0.014 0.000 1.003 423 I CB 1.663 39.662 38.000 -0.002 0.000 1.228 423 I HN 0.670 nan 8.210 nan 0.000 0.443 424 N N 2.200 120.924 118.700 0.039 0.000 2.721 424 N HA -0.230 4.510 4.740 0.001 0.000 0.249 424 N C 0.062 175.590 175.510 0.030 0.000 1.072 424 N CA 0.737 53.823 53.050 0.060 0.000 0.710 424 N CB -0.846 37.663 38.487 0.037 0.000 0.993 424 N HN 1.085 nan 8.380 nan 0.000 0.547 425 S N -2.605 113.106 115.700 0.019 0.000 3.614 425 S HA -0.299 4.172 4.470 0.001 0.000 0.360 425 S C -0.271 174.328 174.600 -0.003 0.000 1.023 425 S CA 1.554 59.761 58.200 0.011 0.000 1.114 425 S CB -1.290 61.922 63.200 0.018 0.000 0.907 425 S HN 0.584 nan 8.310 nan 0.000 0.470 426 E N 1.134 121.322 120.200 -0.021 0.000 2.238 426 E HA 0.535 4.886 4.350 0.001 0.000 0.267 426 E C 0.332 176.892 176.600 -0.066 0.000 0.887 426 E CA -0.918 55.457 56.400 -0.042 0.000 0.769 426 E CB 1.121 30.783 29.700 -0.062 0.000 1.187 426 E HN 0.459 nan 8.360 nan 0.000 0.416 427 N N 1.651 120.293 118.700 -0.097 0.000 2.708 427 N HA -0.182 4.558 4.740 0.001 0.000 0.255 427 N C 0.481 175.891 175.510 -0.167 0.000 1.046 427 N CA 0.159 53.115 53.050 -0.157 0.000 0.715 427 N CB -0.447 37.954 38.487 -0.144 0.000 0.895 427 N HN 0.790 nan 8.380 nan 0.000 0.545 428 G N 0.047 108.726 108.800 -0.202 0.000 2.650 428 G HA2 -0.102 3.858 3.960 0.001 0.000 0.214 428 G HA3 -0.102 3.858 3.960 0.001 0.000 0.214 428 G C 1.115 175.631 174.900 -0.639 0.000 1.136 428 G CA 0.329 45.299 45.100 -0.217 0.000 0.789 428 G HN 0.488 nan 8.290 nan 0.000 0.536 429 R N -0.081 119.849 120.500 -0.949 0.000 2.700 429 R HA 0.197 4.538 4.340 0.001 0.000 0.399 429 R C 1.653 177.077 176.300 -1.460 0.000 1.115 429 R CA 0.089 55.060 56.100 -1.881 0.000 1.058 429 R CB 0.896 30.400 30.300 -1.328 0.000 1.389 429 R HN 0.149 nan 8.270 nan 0.000 0.582 430 G N 0.025 108.114 108.800 -1.186 0.000 3.026 430 G HA2 -0.106 3.854 3.960 0.001 0.000 0.208 430 G HA3 -0.106 3.854 3.960 0.001 0.000 0.208 430 G C 0.706 174.894 174.900 -1.186 0.000 1.169 430 G CA -0.309 44.264 45.100 -0.878 0.000 0.788 430 G HN 0.283 nan 8.290 nan 0.000 0.533 431 W N 0.917 121.412 121.300 -1.342 0.000 2.272 431 W HA -0.243 4.418 4.660 0.001 0.000 0.344 431 W C 1.193 177.138 176.519 -0.957 0.000 1.390 431 W CA 1.199 57.748 57.345 -1.327 0.000 1.331 431 W CB -1.247 27.568 29.460 -1.075 0.000 1.103 431 W HN 0.403 nan 8.180 nan 0.000 0.470 432 Y N -0.304 119.999 120.300 0.004 0.000 2.658 432 Y HA 0.176 4.727 4.550 0.001 0.000 0.276 432 Y C 1.972 177.937 175.900 0.108 0.000 1.167 432 Y CA 0.437 58.586 58.100 0.082 0.000 1.230 432 Y CB -0.736 37.810 38.460 0.143 0.000 1.144 432 Y HN -0.197 nan 8.280 nan 0.000 0.529 433 T N -0.951 113.678 114.554 0.126 0.000 2.962 433 T HA -0.078 4.273 4.350 0.001 0.000 0.270 433 T C 1.781 176.640 174.700 0.265 0.000 1.088 433 T CA 1.602 63.829 62.100 0.212 0.000 1.127 433 T CB -0.138 68.748 68.868 0.030 0.000 0.883 433 T HN 0.574 nan 8.240 nan 0.000 0.493 434 G N -0.072 108.852 108.800 0.207 0.000 4.379 434 G HA2 0.517 4.477 3.960 0.001 0.000 0.290 434 G HA3 0.517 4.477 3.960 0.001 0.000 0.290 434 G C 0.248 175.336 174.900 0.313 0.000 1.065 434 G CA -0.013 45.222 45.100 0.226 0.000 0.833 434 G HN 0.401 nan 8.290 nan 0.000 0.512 435 A N 0.331 123.379 122.820 0.380 0.000 3.290 435 A HA 0.613 4.934 4.320 0.001 0.000 0.297 435 A C 1.400 179.294 177.584 0.517 0.000 1.285 435 A CA 0.239 52.616 52.037 0.567 0.000 1.060 435 A CB -0.613 18.793 19.000 0.676 0.000 1.114 435 A HN 1.572 nan 8.150 nan 0.000 0.601 436 G N -0.580 108.467 108.800 0.412 0.000 2.171 436 G HA2 0.157 4.117 3.960 0.001 0.000 0.238 436 G HA3 0.157 4.117 3.960 0.001 0.000 0.238 436 G C 0.332 175.415 174.900 0.304 0.000 1.039 436 G CA 0.155 45.497 45.100 0.403 0.000 0.759 436 G HN 1.804 nan 8.290 nan 0.000 0.501 437 A N 0.400 123.341 122.820 0.203 0.000 2.363 437 A HA 0.827 5.148 4.320 0.001 0.000 0.270 437 A C 0.806 178.379 177.584 -0.019 0.000 1.121 437 A CA 0.772 52.876 52.037 0.112 0.000 0.800 437 A CB 0.518 19.614 19.000 0.160 0.000 1.052 437 A HN 1.762 nan 8.150 nan 0.000 0.493 438 T N -0.300 114.189 114.554 -0.109 0.000 2.824 438 T HA 0.642 4.992 4.350 0.001 0.000 0.280 438 T C -0.985 173.540 174.700 -0.291 0.000 0.995 438 T CA -0.308 61.746 62.100 -0.077 0.000 1.009 438 T CB 0.639 69.552 68.868 0.076 0.000 0.955 438 T HN 0.377 nan 8.240 nan 0.000 0.452 439 Y N 1.994 122.313 120.300 0.032 0.000 2.363 439 Y HA 0.535 5.085 4.550 0.001 0.000 0.325 439 Y C -0.473 175.393 175.900 -0.058 0.000 0.984 439 Y CA -1.331 56.728 58.100 -0.067 0.000 1.248 439 Y CB 1.566 39.923 38.460 -0.173 0.000 1.116 439 Y HN 0.627 nan 8.280 nan 0.000 0.470 440 L N 5.056 126.292 121.223 0.021 0.000 2.264 440 L HA 0.481 4.821 4.340 0.001 0.000 0.289 440 L C -1.554 175.225 176.870 -0.153 0.000 1.044 440 L CA -0.727 54.117 54.840 0.007 0.000 0.807 440 L CB -0.048 42.008 42.059 -0.005 0.000 1.192 440 L HN 0.432 nan 8.230 nan 0.000 0.425 441 Y N 5.328 125.634 120.300 0.011 0.000 2.331 441 Y HA 0.490 5.041 4.550 0.001 0.000 0.338 441 Y C 0.532 176.292 175.900 -0.234 0.000 0.992 441 Y CA -0.388 57.611 58.100 -0.168 0.000 1.121 441 Y CB 1.111 39.247 38.460 -0.540 0.000 1.184 441 Y HN 0.771 nan 8.280 nan 0.000 0.469 442 N N 0.158 118.930 118.700 0.120 0.000 3.550 442 N HA 0.151 4.892 4.740 0.001 0.000 0.345 442 N C 0.347 176.061 175.510 0.340 0.000 1.647 442 N CA -0.743 52.452 53.050 0.241 0.000 0.737 442 N CB 0.737 39.311 38.487 0.145 0.000 2.178 442 N HN 0.367 nan 8.380 nan 0.000 0.638 443 Q N 0.568 120.518 119.800 0.249 0.000 2.234 443 Q HA -0.110 4.230 4.340 0.001 0.000 0.206 443 Q C -0.368 175.724 176.000 0.154 0.000 0.980 443 Q CA 1.467 57.392 55.803 0.204 0.000 0.869 443 Q CB -0.746 28.079 28.738 0.145 0.000 0.912 443 Q HN 0.591 nan 8.270 nan 0.000 0.436 444 D N -0.177 120.282 120.400 0.098 0.000 2.489 444 D HA -0.032 4.608 4.640 0.001 0.000 0.237 444 D C 0.506 176.823 176.300 0.029 0.000 1.212 444 D CA 0.074 54.088 54.000 0.025 0.000 1.058 444 D CB -0.209 40.560 40.800 -0.052 0.000 1.098 444 D HN 0.318 nan 8.370 nan 0.000 0.509 445 L N 1.740 123.004 121.223 0.069 0.000 2.456 445 L HA -0.021 4.319 4.340 0.001 0.000 0.224 445 L C 1.940 178.682 176.870 -0.214 0.000 1.148 445 L CA 0.723 55.621 54.840 0.097 0.000 0.825 445 L CB -0.282 41.850 42.059 0.122 0.000 0.937 445 L HN 0.353 nan 8.230 nan 0.000 0.450 446 A N -0.861 121.728 122.820 -0.385 0.000 2.348 446 A HA -0.014 4.307 4.320 0.001 0.000 0.224 446 A C 2.034 179.412 177.584 -0.345 0.000 1.227 446 A CA 0.047 51.720 52.037 -0.606 0.000 0.885 446 A CB 0.041 18.769 19.000 -0.452 0.000 0.933 446 A HN 0.284 nan 8.150 nan 0.000 0.506 447 Q N 0.056 119.644 119.800 -0.354 0.000 2.082 447 Q HA -0.239 4.101 4.340 0.001 0.000 0.211 447 Q C 0.763 176.274 176.000 -0.815 0.000 1.002 447 Q CA 2.505 57.948 55.803 -0.599 0.000 0.868 447 Q CB -0.589 27.631 28.738 -0.863 0.000 0.931 447 Q HN 0.723 nan 8.270 nan 0.000 0.414 448 Y N -0.581 119.480 120.300 -0.399 0.000 2.457 448 Y HA 0.415 4.965 4.550 0.001 0.000 0.263 448 Y C 0.753 176.580 175.900 -0.122 0.000 1.164 448 Y CA -0.117 57.664 58.100 -0.530 0.000 1.274 448 Y CB 0.505 38.739 38.460 -0.376 0.000 1.097 448 Y HN -0.064 nan 8.280 nan 0.000 0.523 449 S N -0.805 114.911 115.700 0.026 0.000 2.713 449 S HA 0.243 4.714 4.470 0.001 0.000 0.296 449 S C 0.041 174.739 174.600 0.162 0.000 1.114 449 S CA -0.774 57.513 58.200 0.146 0.000 0.997 449 S CB 0.747 63.960 63.200 0.022 0.000 1.249 449 S HN 0.296 nan 8.310 nan 0.000 0.534 450 E N 1.487 121.843 120.200 0.259 0.000 2.320 450 E HA -0.178 4.172 4.350 0.001 0.000 0.234 450 E C -1.249 175.494 176.600 0.238 0.000 1.183 450 E CA 0.532 57.080 56.400 0.246 0.000 0.713 450 E CB -1.676 28.126 29.700 0.169 0.000 1.226 450 E HN 0.640 nan 8.360 nan 0.000 0.382 451 D N -2.286 118.344 120.400 0.385 0.000 2.716 451 D HA -0.260 4.381 4.640 0.001 0.000 0.239 451 D C 0.210 176.537 176.300 0.046 0.000 1.125 451 D CA 1.298 55.468 54.000 0.283 0.000 0.681 451 D CB -1.460 39.468 40.800 0.214 0.000 1.070 451 D HN 0.583 nan 8.370 nan 0.000 0.432 452 Y N -0.500 119.761 120.300 -0.065 0.000 2.130 452 Y HA -0.137 4.413 4.550 0.001 0.000 0.287 452 Y C 2.188 177.891 175.900 -0.329 0.000 1.124 452 Y CA 1.885 59.857 58.100 -0.215 0.000 1.118 452 Y CB -0.449 37.784 38.460 -0.378 0.000 0.994 452 Y HN 0.193 nan 8.280 nan 0.000 0.497 453 W N 1.563 122.860 121.300 -0.006 0.000 2.304 453 W HA -0.212 4.448 4.660 0.001 0.000 0.315 453 W C -0.372 175.843 176.519 -0.507 0.000 1.233 453 W CA 1.566 58.765 57.345 -0.244 0.000 1.261 453 W CB -1.745 27.652 29.460 -0.104 0.000 1.150 453 W HN 0.225 nan 8.180 nan 0.000 0.494 454 P HA 0.027 nan 4.420 nan 0.000 0.245 454 P C 0.821 177.901 177.300 -0.367 0.000 1.212 454 P CA 1.774 64.544 63.100 -0.549 0.000 0.774 454 P CB 0.140 31.269 31.700 -0.952 0.000 0.999 455 T N -4.677 109.673 114.554 -0.339 0.000 2.964 455 T HA 0.115 4.465 4.350 0.001 0.000 0.250 455 T C 0.747 175.200 174.700 -0.411 0.000 0.982 455 T CA -0.072 61.888 62.100 -0.234 0.000 0.959 455 T CB -0.697 68.143 68.868 -0.047 0.000 1.141 455 T HN -0.094 nan 8.240 nan 0.000 0.494 456 V N 3.304 122.808 119.914 -0.683 0.000 2.872 456 V HA 0.198 4.319 4.120 0.001 0.000 0.307 456 V C -0.039 175.660 176.094 -0.658 0.000 1.072 456 V CA -0.255 61.379 62.300 -1.111 0.000 1.148 456 V CB 0.659 31.719 31.823 -1.272 0.000 0.954 456 V HN 0.491 nan 8.190 nan 0.000 0.490 457 D N 5.088 125.127 120.400 -0.603 0.000 2.349 457 D HA 0.180 4.820 4.640 0.001 0.000 0.266 457 D C 0.878 177.051 176.300 -0.212 0.000 1.293 457 D CA 0.604 54.424 54.000 -0.301 0.000 0.926 457 D CB 1.354 42.013 40.800 -0.235 0.000 1.090 457 D HN 0.744 nan 8.370 nan 0.000 0.502 458 A N 4.116 126.823 122.820 -0.188 0.000 2.178 458 A HA -0.184 4.136 4.320 0.001 0.000 0.218 458 A C 1.165 178.758 177.584 0.015 0.000 1.157 458 A CA 0.866 52.812 52.037 -0.152 0.000 0.689 458 A CB -0.440 18.345 19.000 -0.359 0.000 0.787 458 A HN 0.673 nan 8.150 nan 0.000 0.465 459 Y N -0.824 119.574 120.300 0.163 0.000 2.511 459 Y HA 0.203 4.753 4.550 0.001 0.000 0.279 459 Y C 1.006 176.868 175.900 -0.063 0.000 1.157 459 Y CA 0.397 58.574 58.100 0.128 0.000 1.300 459 Y CB 0.265 38.709 38.460 -0.027 0.000 1.052 459 Y HN 0.153 nan 8.280 nan 0.000 0.529 460 R N 0.484 120.992 120.500 0.014 0.000 2.629 460 R HA 0.304 4.644 4.340 0.001 0.000 0.277 460 R C -1.425 174.847 176.300 -0.047 0.000 1.637 460 R CA -0.390 55.653 56.100 -0.095 0.000 1.663 460 R CB 0.259 30.429 30.300 -0.216 0.000 1.228 460 R HN -0.013 nan 8.270 nan 0.000 0.632 461 I N 3.778 124.364 120.570 0.025 0.000 2.352 461 I HA 0.157 4.327 4.170 0.001 0.000 0.290 461 I C -1.736 174.401 176.117 0.033 0.000 1.036 461 I CA -2.517 58.818 61.300 0.057 0.000 1.336 461 I CB 0.460 38.554 38.000 0.157 0.000 1.407 461 I HN 0.184 nan 8.210 nan 0.000 0.497 462 P HA -0.027 nan 4.420 nan 0.000 0.264 462 P C 0.897 178.258 177.300 0.101 0.000 1.179 462 P CA 0.951 64.072 63.100 0.036 0.000 0.763 462 P CB 0.595 32.306 31.700 0.018 0.000 0.806 463 G N 1.580 110.503 108.800 0.205 0.000 2.284 463 G HA2 -0.246 3.715 3.960 0.001 0.000 0.247 463 G HA3 -0.246 3.715 3.960 0.001 0.000 0.247 463 G C 0.381 175.507 174.900 0.377 0.000 1.012 463 G CA 0.566 45.903 45.100 0.394 0.000 0.618 463 G HN 0.919 nan 8.290 nan 0.000 0.521 464 T N -1.058 113.643 114.554 0.246 0.000 2.849 464 T HA 0.602 4.953 4.350 0.001 0.000 0.284 464 T C -0.083 174.701 174.700 0.140 0.000 1.004 464 T CA 0.578 62.818 62.100 0.233 0.000 1.021 464 T CB 2.110 71.086 68.868 0.181 0.000 1.013 464 T HN 0.384 nan 8.240 nan 0.000 0.527 465 T N 1.725 116.386 114.554 0.177 0.000 2.809 465 T HA 0.630 4.980 4.350 0.001 0.000 0.284 465 T C -0.283 174.524 174.700 0.178 0.000 0.992 465 T CA -0.572 61.628 62.100 0.167 0.000 0.957 465 T CB 0.855 69.854 68.868 0.218 0.000 0.942 465 T HN 0.991 nan 8.240 nan 0.000 0.439 466 V N 0.399 120.352 119.914 0.065 0.000 3.181 466 V HA 1.013 5.133 4.120 0.001 0.000 0.308 466 V C -0.719 175.406 176.094 0.053 0.000 1.214 466 V CA -1.620 60.703 62.300 0.038 0.000 1.053 466 V CB 1.563 33.061 31.823 -0.542 0.000 1.069 466 V HN 0.914 nan 8.190 nan 0.000 0.441 467 A N 0.862 123.708 122.820 0.043 0.000 2.302 467 A HA 0.554 4.875 4.320 0.001 0.000 0.295 467 A C 0.934 178.362 177.584 -0.259 0.000 1.235 467 A CA 0.472 52.402 52.037 -0.178 0.000 0.876 467 A CB 0.480 19.111 19.000 -0.616 0.000 1.133 467 A HN 1.800 nan 8.150 nan 0.000 0.533 468 S N 2.721 118.281 115.700 -0.234 0.000 3.400 468 S HA 0.161 4.632 4.470 0.001 0.000 0.222 468 S C 0.526 174.885 174.600 -0.401 0.000 0.914 468 S CA 1.305 59.325 58.200 -0.301 0.000 1.190 468 S CB -1.717 61.330 63.200 -0.255 0.000 1.268 468 S HN 2.545 nan 8.310 nan 0.000 0.479 469 T N -0.447 113.768 114.554 -0.565 0.000 2.539 469 T HA -0.005 4.346 4.350 0.001 0.000 0.533 469 T C -3.505 171.096 174.700 -0.165 0.000 1.383 469 T CA -0.730 61.128 62.100 -0.403 0.000 2.091 469 T CB -0.744 67.838 68.868 -0.476 0.000 1.951 469 T HN 0.235 nan 8.240 nan 0.000 0.461 470 P HA 0.837 nan 4.420 nan 0.000 0.289 470 P C -0.274 176.863 177.300 -0.272 0.000 1.300 470 P CA -0.990 61.740 63.100 -0.616 0.000 0.828 470 P CB 0.957 31.710 31.700 -1.578 0.000 1.235 471 I N -3.844 116.459 120.570 -0.444 0.000 3.002 471 I HA 0.833 5.003 4.170 0.001 0.000 0.310 471 I C -0.429 175.681 176.117 -0.012 0.000 1.087 471 I CA -1.495 59.673 61.300 -0.219 0.000 1.017 471 I CB 1.902 39.664 38.000 -0.397 0.000 1.226 471 I HN 0.297 nan 8.210 nan 0.000 0.443 475 G N 2.306 111.090 108.800 -0.027 0.000 2.340 475 G HA2 0.442 4.402 3.960 0.001 0.000 0.300 475 G HA3 0.442 4.402 3.960 0.001 0.000 0.300 475 G C -0.505 174.441 174.900 0.078 0.000 1.488 475 G CA 0.095 45.204 45.100 0.016 0.000 0.878 475 G HN 1.430 nan 8.290 nan 0.000 0.618 476 T N -0.794 113.804 114.554 0.074 0.000 2.860 476 T HA 0.616 4.967 4.350 0.001 0.000 0.299 476 T C 1.198 176.047 174.700 0.249 0.000 1.045 476 T CA 0.571 62.766 62.100 0.159 0.000 1.071 476 T CB 1.438 70.334 68.868 0.045 0.000 0.985 476 T HN 1.609 nan 8.240 nan 0.000 0.537 477 G N -0.145 108.806 108.800 0.253 0.000 2.525 477 G HA2 0.460 4.420 3.960 0.001 0.000 0.287 477 G HA3 0.460 4.420 3.960 0.001 0.000 0.287 477 G C 0.864 175.793 174.900 0.048 0.000 1.350 477 G CA -0.148 45.033 45.100 0.136 0.000 1.039 477 G HN 0.974 nan 8.290 nan 0.000 0.513 478 T N -3.315 111.249 114.554 0.016 0.000 3.023 478 T HA 0.311 4.661 4.350 0.001 0.000 0.253 478 T C 0.966 175.674 174.700 0.013 0.000 1.038 478 T CA 0.380 62.492 62.100 0.020 0.000 0.962 478 T CB 0.304 69.187 68.868 0.026 0.000 1.018 478 T HN 0.428 nan 8.240 nan 0.000 0.521 479 S N 0.418 116.113 115.700 -0.008 0.000 2.525 479 S HA 0.540 5.010 4.470 0.001 0.000 0.290 479 S C 1.013 175.654 174.600 0.067 0.000 1.152 479 S CA -0.575 57.649 58.200 0.040 0.000 1.072 479 S CB 1.689 64.910 63.200 0.036 0.000 1.027 479 S HN 0.227 nan 8.310 nan 0.000 0.500 480 S N 3.371 119.143 115.700 0.119 0.000 2.503 480 S HA 0.111 4.581 4.470 0.001 0.000 0.217 480 S C 0.202 174.908 174.600 0.178 0.000 0.999 480 S CA -0.460 57.803 58.200 0.105 0.000 0.914 480 S CB -0.145 63.097 63.200 0.069 0.000 0.782 480 S HN 0.791 nan 8.310 nan 0.000 0.520 481 W N 2.943 124.293 121.300 0.082 0.000 2.429 481 W HA 0.281 4.942 4.660 0.001 0.000 0.431 481 W C -0.901 175.713 176.519 0.159 0.000 1.038 481 W CA 0.037 57.466 57.345 0.140 0.000 1.635 481 W CB -0.110 29.507 29.460 0.261 0.000 1.721 481 W HN 0.037 nan 8.180 nan 0.000 0.366 482 T N 3.509 118.362 114.554 0.498 0.000 3.355 482 T HA 0.551 4.901 4.350 0.001 0.000 0.324 482 T C 0.021 174.863 174.700 0.237 0.000 0.932 482 T CA -0.240 62.116 62.100 0.426 0.000 1.032 482 T CB 0.875 69.876 68.868 0.221 0.000 1.027 482 T HN 0.553 nan 8.240 nan 0.000 0.456 483 G N 1.378 110.359 108.800 0.303 0.000 2.399 483 G HA2 0.721 4.681 3.960 0.001 0.000 0.256 483 G HA3 0.721 4.681 3.960 0.001 0.000 0.256 483 G C -0.686 174.337 174.900 0.206 0.000 1.236 483 G CA 0.201 45.384 45.100 0.139 0.000 0.914 483 G HN 1.019 nan 8.290 nan 0.000 0.482 484 G N -2.200 106.665 108.800 0.109 0.000 2.430 484 G HA2 0.655 4.616 3.960 0.001 0.000 0.300 484 G HA3 0.655 4.616 3.960 0.001 0.000 0.300 484 G C -1.868 173.112 174.900 0.133 0.000 1.330 484 G CA 0.461 45.659 45.100 0.165 0.000 0.813 484 G HN 1.724 nan 8.290 nan 0.000 0.487 485 V N -0.557 119.458 119.914 0.169 0.000 2.864 485 V HA 0.870 4.991 4.120 0.001 0.000 0.314 485 V C -0.443 175.785 176.094 0.224 0.000 1.073 485 V CA -0.271 62.132 62.300 0.172 0.000 0.956 485 V CB 2.107 34.031 31.823 0.169 0.000 1.023 485 V HN 1.335 nan 8.190 nan 0.000 0.435 486 S N 4.738 120.573 115.700 0.225 0.000 2.605 486 S HA 0.514 4.985 4.470 0.001 0.000 0.308 486 S C -1.061 173.654 174.600 0.192 0.000 1.113 486 S CA -0.560 57.802 58.200 0.271 0.000 1.049 486 S CB 1.212 64.588 63.200 0.294 0.000 1.001 486 S HN 0.844 nan 8.310 nan 0.000 0.480 487 L N 6.167 127.504 121.223 0.189 0.000 2.356 487 L HA 0.643 4.983 4.340 0.001 0.000 0.282 487 L C 0.848 177.799 176.870 0.136 0.000 1.132 487 L CA 0.976 55.943 54.840 0.211 0.000 0.923 487 L CB -0.397 41.828 42.059 0.278 0.000 1.278 487 L HN 1.109 nan 8.230 nan 0.000 0.436 488 A N 3.501 126.328 122.820 0.011 0.000 2.832 488 A HA -0.055 4.265 4.320 0.001 0.000 0.280 488 A C 1.615 179.186 177.584 -0.021 0.000 1.464 488 A CA 1.155 53.135 52.037 -0.094 0.000 0.804 488 A CB -2.298 16.609 19.000 -0.154 0.000 1.020 488 A HN 2.315 nan 8.150 nan 0.000 0.563 489 G N -2.275 106.549 108.800 0.041 0.000 2.212 489 G HA2 -0.402 3.559 3.960 0.001 0.000 0.267 489 G HA3 -0.402 3.559 3.960 0.001 0.000 0.267 489 G C 0.628 175.542 174.900 0.023 0.000 1.002 489 G CA 1.588 46.719 45.100 0.051 0.000 0.729 489 G HN 1.050 nan 8.290 nan 0.000 0.517 490 Q N -1.982 117.801 119.800 -0.028 0.000 2.387 490 Q HA 0.304 4.645 4.340 0.001 0.000 0.208 490 Q C 0.474 176.178 176.000 -0.495 0.000 0.935 490 Q CA 0.819 56.438 55.803 -0.306 0.000 0.891 490 Q CB 0.526 29.021 28.738 -0.404 0.000 1.007 490 Q HN 0.652 nan 8.270 nan 0.000 0.548 491 Y N -1.370 118.978 120.300 0.080 0.000 2.633 491 Y HA 0.725 5.276 4.550 0.001 0.000 0.339 491 Y C 0.317 175.972 175.900 -0.410 0.000 1.045 491 Y CA -0.969 57.097 58.100 -0.055 0.000 1.098 491 Y CB 1.998 40.507 38.460 0.082 0.000 1.296 491 Y HN -0.007 nan 8.280 nan 0.000 0.494 492 G N -0.534 107.865 108.800 -0.667 0.000 2.548 492 G HA2 0.716 4.677 3.960 0.001 0.000 0.301 492 G HA3 0.716 4.677 3.960 0.001 0.000 0.301 492 G C -2.182 172.380 174.900 -0.564 0.000 1.349 492 G CA -0.420 44.041 45.100 -1.066 0.000 0.792 492 G HN 0.918 nan 8.290 nan 0.000 0.481 493 A N -0.596 122.052 122.820 -0.287 0.000 2.547 493 A HA 0.900 5.221 4.320 0.001 0.000 0.297 493 A C -0.496 177.083 177.584 -0.009 0.000 1.056 493 A CA -0.249 51.657 52.037 -0.217 0.000 0.688 493 A CB 1.617 20.502 19.000 -0.191 0.000 1.282 493 A HN 1.339 nan 8.150 nan 0.000 0.400 494 S N -0.685 115.029 115.700 0.024 0.000 2.667 494 S HA 0.968 5.439 4.470 0.001 0.000 0.292 494 S C -0.039 174.763 174.600 0.337 0.000 1.126 494 S CA -0.134 58.223 58.200 0.261 0.000 0.881 494 S CB 2.135 65.524 63.200 0.314 0.000 1.132 494 S HN 1.836 nan 8.310 nan 0.000 0.492 495 G N 0.486 109.599 108.800 0.521 0.000 2.698 495 G HA2 0.654 4.614 3.960 0.001 0.000 0.293 495 G HA3 0.654 4.614 3.960 0.001 0.000 0.293 495 G C -1.836 173.449 174.900 0.642 0.000 1.437 495 G CA -0.510 44.881 45.100 0.486 0.000 0.852 495 G HN 0.585 nan 8.290 nan 0.000 0.499 496 M N 1.685 121.615 119.600 0.549 0.000 2.238 496 M HA 0.325 4.806 4.480 0.001 0.000 0.278 496 M C -2.056 174.283 176.300 0.065 0.000 1.040 496 M CA -0.685 54.849 55.300 0.390 0.000 0.969 496 M CB 2.247 35.094 32.600 0.413 0.000 1.694 496 M HN 0.517 nan 8.290 nan 0.000 0.472 497 D N 4.760 125.190 120.400 0.051 0.000 2.393 497 D HA 0.305 4.945 4.640 0.001 0.000 0.232 497 D C -0.986 175.190 176.300 -0.207 0.000 1.192 497 D CA 0.072 53.933 54.000 -0.231 0.000 0.882 497 D CB 0.555 41.344 40.800 -0.019 0.000 1.038 497 D HN 0.623 nan 8.370 nan 0.000 0.499 498 L N 3.208 124.259 121.223 -0.286 0.000 2.349 498 L HA 0.381 4.722 4.340 0.001 0.000 0.275 498 L C -0.294 176.382 176.870 -0.323 0.000 1.115 498 L CA -0.082 54.575 54.840 -0.304 0.000 0.820 498 L CB 0.839 42.712 42.059 -0.311 0.000 1.135 498 L HN 0.383 nan 8.230 nan 0.000 0.445 499 S N 3.160 118.651 115.700 -0.348 0.000 2.277 499 S HA 0.286 4.756 4.470 0.001 0.000 0.230 499 S C -1.102 173.414 174.600 -0.139 0.000 0.893 499 S CA -0.668 57.394 58.200 -0.231 0.000 1.044 499 S CB 0.017 63.141 63.200 -0.126 0.000 1.252 499 S HN 0.406 nan 8.310 nan 0.000 0.393 500 Y N 1.887 122.158 120.300 -0.049 0.000 2.326 500 Y HA 0.492 5.042 4.550 0.001 0.000 0.333 500 Y C 1.691 177.526 175.900 -0.109 0.000 1.240 500 Y CA 0.464 58.505 58.100 -0.099 0.000 1.365 500 Y CB 0.762 38.973 38.460 -0.414 0.000 1.289 500 Y HN 0.654 nan 8.280 nan 0.000 0.548 501 G N 0.376 109.252 108.800 0.126 0.000 2.510 501 G HA2 0.042 4.002 3.960 0.001 0.000 0.212 501 G HA3 0.042 4.002 3.960 0.001 0.000 0.212 501 G C 1.613 176.535 174.900 0.037 0.000 1.151 501 G CA 0.534 45.677 45.100 0.071 0.000 0.817 501 G HN 0.754 nan 8.290 nan 0.000 0.534 502 A N -0.177 122.639 122.820 -0.007 0.000 2.024 502 A HA 0.269 4.590 4.320 0.001 0.000 0.220 502 A C 0.716 178.394 177.584 0.158 0.000 1.164 502 A CA 1.501 53.563 52.037 0.042 0.000 0.643 502 A CB -0.557 18.464 19.000 0.034 0.000 0.806 502 A HN 1.028 nan 8.150 nan 0.000 0.451 503 Y N -4.433 115.935 120.300 0.114 0.000 2.573 503 Y HA 0.523 5.074 4.550 0.001 0.000 0.328 503 Y C -0.890 175.096 175.900 0.144 0.000 1.170 503 Y CA -2.004 56.155 58.100 0.099 0.000 1.078 503 Y CB -0.181 38.316 38.460 0.061 0.000 1.341 503 Y HN -0.001 nan 8.280 nan 0.000 0.459 504 N N 2.065 120.924 118.700 0.265 0.000 2.414 504 N HA 0.362 5.103 4.740 0.001 0.000 0.268 504 N C -1.396 174.256 175.510 0.236 0.000 1.286 504 N CA 0.420 53.577 53.050 0.177 0.000 0.896 504 N CB 0.314 38.876 38.487 0.126 0.000 1.093 504 N HN 0.864 nan 8.380 nan 0.000 0.480 505 L N 2.616 123.917 121.223 0.130 0.000 2.847 505 L HA 0.379 4.719 4.340 0.001 0.000 0.261 505 L C -1.446 175.392 176.870 -0.052 0.000 0.926 505 L CA -0.169 54.740 54.840 0.116 0.000 1.010 505 L CB 0.994 43.249 42.059 0.326 0.000 1.538 505 L HN 0.621 nan 8.230 nan 0.000 0.465 506 S N 3.338 118.989 115.700 -0.083 0.000 2.549 506 S HA 1.089 5.559 4.470 0.001 0.000 0.280 506 S C -0.672 173.812 174.600 -0.193 0.000 1.109 506 S CA -0.008 58.092 58.200 -0.165 0.000 0.905 506 S CB 2.131 65.247 63.200 -0.140 0.000 1.081 506 S HN 1.902 nan 8.310 nan 0.000 0.477 507 A N 1.412 124.071 122.820 -0.269 0.000 2.586 507 A HA 0.836 5.157 4.320 0.001 0.000 0.290 507 A C -1.421 175.877 177.584 -0.477 0.000 1.086 507 A CA -1.001 50.849 52.037 -0.312 0.000 0.665 507 A CB 1.265 20.138 19.000 -0.212 0.000 1.279 507 A HN 0.803 nan 8.150 nan 0.000 0.423 508 R N 0.601 120.735 120.500 -0.610 0.000 2.337 508 R HA 0.499 4.840 4.340 0.001 0.000 0.319 508 R C -1.083 174.792 176.300 -0.708 0.000 0.954 508 R CA -0.151 55.345 56.100 -1.007 0.000 0.840 508 R CB 1.410 30.860 30.300 -1.417 0.000 1.164 508 R HN 0.613 nan 8.270 nan 0.000 0.472 509 K N 1.624 121.684 120.400 -0.566 0.000 2.274 509 K HA 0.516 4.836 4.320 0.001 0.000 0.262 509 K C -0.753 175.532 176.600 -0.525 0.000 0.961 509 K CA -0.547 55.430 56.287 -0.517 0.000 0.833 509 K CB 2.215 34.477 32.500 -0.396 0.000 1.102 509 K HN 0.392 nan 8.250 nan 0.000 0.436 510 S N 1.444 116.735 115.700 -0.682 0.000 2.632 510 S HA 0.573 5.044 4.470 0.001 0.000 0.289 510 S C -1.386 172.754 174.600 -0.767 0.000 1.115 510 S CA -0.915 56.991 58.200 -0.491 0.000 0.889 510 S CB 1.298 64.380 63.200 -0.197 0.000 1.116 510 S HN 0.452 nan 8.310 nan 0.000 0.486 511 W N 1.083 122.189 121.300 -0.324 0.000 3.138 511 W HA 0.500 5.161 4.660 0.001 0.000 0.331 511 W C -2.073 174.104 176.519 -0.571 0.000 1.166 511 W CA -0.693 56.515 57.345 -0.228 0.000 1.212 511 W CB 1.380 30.808 29.460 -0.053 0.000 1.399 511 W HN 0.508 nan 8.180 nan 0.000 0.514 512 F N 3.683 123.654 119.950 0.036 0.000 2.499 512 F HA 0.395 4.923 4.527 0.001 0.000 0.333 512 F C 0.314 175.842 175.800 -0.453 0.000 1.138 512 F CA -0.947 56.884 58.000 -0.282 0.000 0.945 512 F CB 1.370 40.119 39.000 -0.418 0.000 1.181 512 F HN -0.108 nan 8.300 nan 0.000 0.435 513 M N 4.688 124.121 119.600 -0.279 0.000 2.113 513 M HA 0.450 4.930 4.480 0.001 0.000 0.352 513 M C -0.983 175.231 176.300 -0.143 0.000 1.170 513 M CA -0.042 55.183 55.300 -0.124 0.000 1.053 513 M CB 0.298 32.932 32.600 0.057 0.000 1.601 513 M HN 0.527 nan 8.290 nan 0.000 0.459 514 F N 1.438 121.583 119.950 0.325 0.000 2.932 514 F HA 0.277 4.805 4.527 0.001 0.000 0.267 514 F C 1.887 177.976 175.800 0.482 0.000 1.396 514 F CA -0.605 57.634 58.000 0.397 0.000 0.988 514 F CB 0.353 39.484 39.000 0.219 0.000 1.938 514 F HN 0.586 nan 8.300 nan 0.000 0.471 515 D N -0.453 120.352 120.400 0.675 0.000 2.197 515 D HA -0.107 4.534 4.640 0.001 0.000 0.212 515 D C 0.557 177.095 176.300 0.396 0.000 0.963 515 D CA 1.467 55.754 54.000 0.478 0.000 0.864 515 D CB -0.495 40.550 40.800 0.408 0.000 1.009 515 D HN 0.607 nan 8.370 nan 0.000 0.479 516 D N -0.235 120.395 120.400 0.382 0.000 2.556 516 D HA 0.016 4.656 4.640 0.001 0.000 0.237 516 D C 0.021 176.454 176.300 0.223 0.000 1.296 516 D CA -0.164 54.051 54.000 0.360 0.000 0.807 516 D CB 0.354 41.300 40.800 0.244 0.000 1.084 516 D HN 0.388 nan 8.370 nan 0.000 0.510 517 E N 0.602 120.966 120.200 0.273 0.000 2.366 517 E HA 0.463 4.813 4.350 0.001 0.000 0.278 517 E C -1.527 175.228 176.600 0.258 0.000 0.923 517 E CA -0.864 55.631 56.400 0.159 0.000 0.761 517 E CB 1.694 31.456 29.700 0.104 0.000 1.231 517 E HN -0.077 nan 8.360 nan 0.000 0.443 518 I N 1.473 122.145 120.570 0.170 0.000 2.389 518 I HA 0.246 4.417 4.170 0.001 0.000 0.288 518 I C -0.466 175.766 176.117 0.192 0.000 0.999 518 I CA -0.838 60.576 61.300 0.191 0.000 1.129 518 I CB 1.923 40.042 38.000 0.198 0.000 1.288 518 I HN 0.350 nan 8.210 nan 0.000 0.444 519 V N 5.511 125.552 119.914 0.210 0.000 2.407 519 V HA 0.777 4.897 4.120 0.001 0.000 0.278 519 V C 0.303 176.462 176.094 0.109 0.000 1.037 519 V CA -0.603 61.810 62.300 0.189 0.000 0.900 519 V CB 1.312 33.305 31.823 0.282 0.000 0.983 519 V HN 0.815 nan 8.190 nan 0.000 0.459 520 A N 6.673 129.394 122.820 -0.166 0.000 2.304 520 A HA 0.857 5.177 4.320 0.001 0.000 0.314 520 A C -0.854 176.566 177.584 -0.272 0.000 1.187 520 A CA -0.468 51.338 52.037 -0.384 0.000 0.810 520 A CB 0.623 19.152 19.000 -0.785 0.000 1.183 520 A HN 0.786 nan 8.150 nan 0.000 0.487 521 L N 2.140 123.185 121.223 -0.296 0.000 2.354 521 L HA 0.832 5.172 4.340 0.001 0.000 0.269 521 L C 0.444 176.851 176.870 -0.772 0.000 1.005 521 L CA -0.697 53.916 54.840 -0.379 0.000 0.819 521 L CB 2.554 44.529 42.059 -0.141 0.000 1.311 521 L HN 0.814 nan 8.230 nan 0.000 0.423 522 G N 0.522 108.580 108.800 -1.238 0.000 2.638 522 G HA2 0.689 4.649 3.960 0.001 0.000 0.302 522 G HA3 0.689 4.649 3.960 0.001 0.000 0.302 522 G C -1.165 173.311 174.900 -0.708 0.000 1.365 522 G CA -0.258 44.085 45.100 -1.262 0.000 0.987 522 G HN 0.643 nan 8.290 nan 0.000 0.495 523 S N -0.521 114.879 115.700 -0.501 0.000 2.643 523 S HA 0.713 5.183 4.470 0.001 0.000 0.270 523 S C 0.721 175.115 174.600 -0.344 0.000 1.166 523 S CA 0.268 58.253 58.200 -0.358 0.000 0.815 523 S CB 1.295 64.320 63.200 -0.291 0.000 1.139 523 S HN 2.544 nan 8.310 nan 0.000 0.472 524 G N 0.379 109.022 108.800 -0.261 0.000 2.203 524 G HA2 -0.225 3.735 3.960 0.001 0.000 0.263 524 G HA3 -0.225 3.735 3.960 0.001 0.000 0.263 524 G C -0.014 174.756 174.900 -0.216 0.000 1.012 524 G CA 0.344 45.304 45.100 -0.234 0.000 0.749 524 G HN 1.009 nan 8.290 nan 0.000 0.512 525 I N 1.746 122.187 120.570 -0.215 0.000 2.471 525 I HA 0.264 4.435 4.170 0.001 0.000 0.294 525 I C 0.434 176.474 176.117 -0.129 0.000 1.123 525 I CA 0.497 61.681 61.300 -0.194 0.000 1.336 525 I CB 0.319 38.145 38.000 -0.291 0.000 1.430 525 I HN 0.099 nan 8.210 nan 0.000 0.533 526 S N 4.063 119.708 115.700 -0.091 0.000 2.549 526 S HA 0.716 5.186 4.470 0.001 0.000 0.280 526 S C -0.657 173.939 174.600 -0.007 0.000 1.109 526 S CA -0.681 57.491 58.200 -0.047 0.000 0.905 526 S CB 2.418 65.586 63.200 -0.053 0.000 1.081 526 S HN 0.631 nan 8.310 nan 0.000 0.477 527 S N 0.147 115.858 115.700 0.019 0.000 2.587 527 S HA 0.666 5.136 4.470 0.001 0.000 0.269 527 S C -0.341 174.287 174.600 0.047 0.000 1.154 527 S CA -0.010 58.224 58.200 0.056 0.000 0.824 527 S CB 1.266 64.524 63.200 0.098 0.000 1.118 527 S HN 0.950 nan 8.310 nan 0.000 0.462 528 T N -0.462 114.129 114.554 0.060 0.000 3.192 528 T HA 0.412 4.762 4.350 0.001 0.000 0.295 528 T C 1.523 176.252 174.700 0.049 0.000 0.947 528 T CA 0.600 62.726 62.100 0.043 0.000 0.916 528 T CB 0.093 68.983 68.868 0.036 0.000 1.169 528 T HN 0.875 nan 8.240 nan 0.000 0.540 529 A N 1.752 124.616 122.820 0.073 0.000 2.084 529 A HA 0.398 4.718 4.320 0.001 0.000 0.221 529 A C 2.276 179.863 177.584 0.005 0.000 1.161 529 A CA 1.320 53.392 52.037 0.060 0.000 0.653 529 A CB -1.468 17.579 19.000 0.079 0.000 0.802 529 A HN 1.712 nan 8.150 nan 0.000 0.457 530 G N -1.727 107.074 108.800 0.002 0.000 2.147 530 G HA2 -0.227 3.734 3.960 0.001 0.000 0.244 530 G HA3 -0.227 3.734 3.960 0.001 0.000 0.244 530 G C -0.002 174.873 174.900 -0.041 0.000 1.005 530 G CA 0.430 45.521 45.100 -0.015 0.000 0.713 530 G HN 0.673 nan 8.290 nan 0.000 0.515 531 I N 0.946 121.484 120.570 -0.054 0.000 2.545 531 I HA 0.364 4.534 4.170 0.001 0.000 0.292 531 I C -2.082 173.997 176.117 -0.062 0.000 1.040 531 I CA -2.805 58.439 61.300 -0.094 0.000 1.068 531 I CB 2.434 40.324 38.000 -0.184 0.000 1.251 531 I HN -0.168 nan 8.210 nan 0.000 0.424 532 P HA 0.069 nan 4.420 nan 0.000 0.260 532 P C -0.684 176.610 177.300 -0.010 0.000 1.185 532 P CA 0.054 63.143 63.100 -0.018 0.000 0.763 532 P CB 0.629 32.316 31.700 -0.022 0.000 0.776 533 I N 4.101 124.709 120.570 0.062 0.000 2.440 533 I HA 0.267 4.438 4.170 0.001 0.000 0.294 533 I C 1.052 177.269 176.117 0.167 0.000 0.995 533 I CA -0.489 60.886 61.300 0.124 0.000 1.306 533 I CB 0.658 38.768 38.000 0.183 0.000 1.407 533 I HN 0.479 nan 8.210 nan 0.000 0.501 534 E N 2.809 123.093 120.200 0.140 0.000 2.390 534 E HA 0.621 4.971 4.350 0.001 0.000 0.277 534 E C -1.453 175.206 176.600 0.099 0.000 0.939 534 E CA -0.937 55.508 56.400 0.075 0.000 0.769 534 E CB 1.627 31.331 29.700 0.007 0.000 1.251 534 E HN 0.330 nan 8.360 nan 0.000 0.450 535 T N 1.285 115.859 114.554 0.033 0.000 2.786 535 T HA 0.266 4.616 4.350 0.001 0.000 0.283 535 T C -0.989 173.710 174.700 -0.001 0.000 0.992 535 T CA -0.643 61.471 62.100 0.022 0.000 0.954 535 T CB 1.475 70.290 68.868 -0.088 0.000 0.934 535 T HN 0.377 nan 8.240 nan 0.000 0.440 536 V N 6.283 126.202 119.914 0.008 0.000 2.368 536 V HA 0.209 4.330 4.120 0.001 0.000 0.266 536 V C 1.046 177.123 176.094 -0.028 0.000 1.045 536 V CA 0.092 62.414 62.300 0.036 0.000 0.899 536 V CB 0.464 32.289 31.823 0.002 0.000 1.006 536 V HN 0.838 nan 8.190 nan 0.000 0.470 537 V N 5.343 125.179 119.914 -0.131 0.000 2.358 537 V HA 0.062 4.183 4.120 0.001 0.000 0.246 537 V C 0.825 176.822 176.094 -0.163 0.000 1.047 537 V CA 1.882 63.959 62.300 -0.372 0.000 1.035 537 V CB -0.381 31.171 31.823 -0.452 0.000 0.658 537 V HN 0.997 nan 8.190 nan 0.000 0.452 538 D N -2.094 118.251 120.400 -0.091 0.000 2.742 538 D HA 0.247 4.887 4.640 0.001 0.000 0.262 538 D C -1.711 174.589 176.300 -0.001 0.000 1.240 538 D CA -0.537 53.456 54.000 -0.011 0.000 0.752 538 D CB 1.336 42.160 40.800 0.040 0.000 1.290 538 D HN 0.009 nan 8.370 nan 0.000 0.420 539 N N 1.613 120.332 118.700 0.031 0.000 2.710 539 N HA 0.202 4.943 4.740 0.001 0.000 0.244 539 N C -1.437 174.148 175.510 0.125 0.000 1.321 539 N CA -0.374 52.704 53.050 0.047 0.000 0.758 539 N CB 0.758 39.240 38.487 -0.009 0.000 1.284 539 N HN 0.199 nan 8.380 nan 0.000 0.530 540 R N 1.237 121.787 120.500 0.084 0.000 2.349 540 R HA 0.216 4.556 4.340 0.001 0.000 0.299 540 R C 0.085 176.382 176.300 -0.005 0.000 1.027 540 R CA -0.440 55.679 56.100 0.032 0.000 0.958 540 R CB 1.298 31.573 30.300 -0.041 0.000 1.047 540 R HN 0.353 nan 8.270 nan 0.000 0.468 541 K N 4.108 124.438 120.400 -0.117 0.000 2.297 541 K HA 0.106 4.427 4.320 0.001 0.000 0.286 541 K C -0.182 176.213 176.600 -0.341 0.000 1.053 541 K CA -0.466 55.536 56.287 -0.474 0.000 0.940 541 K CB 0.546 32.812 32.500 -0.390 0.000 1.019 541 K HN 0.173 nan 8.250 nan 0.000 0.475 542 L N 2.581 123.588 121.223 -0.361 0.000 2.642 542 L HA 0.224 4.564 4.340 0.001 0.000 0.229 542 L C 0.723 177.474 176.870 -0.199 0.000 1.179 542 L CA -0.413 54.284 54.840 -0.238 0.000 0.834 542 L CB -0.240 41.689 42.059 -0.217 0.000 1.515 542 L HN 0.778 nan 8.230 nan 0.000 0.512 543 N N -0.909 117.710 118.700 -0.136 0.000 2.347 543 N HA 0.133 4.874 4.740 0.001 0.000 0.253 543 N C 1.028 176.483 175.510 -0.091 0.000 1.274 543 N CA 0.164 53.157 53.050 -0.095 0.000 0.941 543 N CB -0.163 38.289 38.487 -0.058 0.000 1.200 543 N HN 0.619 nan 8.380 nan 0.000 0.514 544 G N -1.124 107.640 108.800 -0.061 0.000 2.507 544 G HA2 -0.263 3.697 3.960 0.001 0.000 0.221 544 G HA3 -0.263 3.697 3.960 0.001 0.000 0.221 544 G C 1.196 176.068 174.900 -0.046 0.000 1.119 544 G CA 1.239 46.309 45.100 -0.049 0.000 0.751 544 G HN 0.816 nan 8.290 nan 0.000 0.574 545 A N -0.548 122.248 122.820 -0.040 0.000 2.081 545 A HA 0.462 4.783 4.320 0.001 0.000 0.214 545 A C 2.145 179.703 177.584 -0.044 0.000 1.158 545 A CA 1.328 53.346 52.037 -0.031 0.000 0.724 545 A CB -0.376 18.613 19.000 -0.018 0.000 0.826 545 A HN 1.655 nan 8.150 nan 0.000 0.463 546 G N 0.788 109.548 108.800 -0.068 0.000 2.176 546 G HA2 -0.282 3.678 3.960 0.001 0.000 0.252 546 G HA3 -0.282 3.678 3.960 0.001 0.000 0.252 546 G C 0.083 174.940 174.900 -0.073 0.000 1.024 546 G CA 0.802 45.847 45.100 -0.092 0.000 0.755 546 G HN 0.841 nan 8.290 nan 0.000 0.507 547 D N -0.235 120.138 120.400 -0.045 0.000 2.388 547 D HA 0.051 4.691 4.640 0.001 0.000 0.221 547 D C 0.508 176.808 176.300 -0.001 0.000 1.133 547 D CA -0.586 53.406 54.000 -0.013 0.000 0.831 547 D CB -0.562 40.242 40.800 0.007 0.000 0.962 547 D HN 0.457 nan 8.370 nan 0.000 0.502 548 N N 0.913 119.588 118.700 -0.041 0.000 2.293 548 N HA 0.115 4.856 4.740 0.001 0.000 0.253 548 N C 0.045 175.587 175.510 0.054 0.000 1.248 548 N CA 0.358 53.395 53.050 -0.022 0.000 0.845 548 N CB 0.718 39.154 38.487 -0.085 0.000 1.073 548 N HN 0.278 nan 8.380 nan 0.000 0.464 549 A N 3.167 126.058 122.820 0.119 0.000 2.363 549 A HA 0.418 4.738 4.320 0.001 0.000 0.270 549 A C -0.481 177.308 177.584 0.342 0.000 1.121 549 A CA -0.423 51.751 52.037 0.229 0.000 0.800 549 A CB 0.337 19.444 19.000 0.179 0.000 1.052 549 A HN 0.766 nan 8.150 nan 0.000 0.493 550 W N 1.099 122.428 121.300 0.049 0.000 3.107 550 W HA 0.683 5.344 4.660 0.001 0.000 0.331 550 W C -0.987 175.580 176.519 0.080 0.000 1.204 550 W CA -0.555 56.830 57.345 0.066 0.000 1.184 550 W CB 0.372 29.847 29.460 0.025 0.000 1.421 550 W HN 1.037 nan 8.180 nan 0.000 0.544 551 T N -0.662 113.985 114.554 0.156 0.000 2.906 551 T HA 0.846 5.197 4.350 0.001 0.000 0.295 551 T C -1.167 173.382 174.700 -0.250 0.000 1.061 551 T CA -0.606 61.437 62.100 -0.095 0.000 1.000 551 T CB 1.925 70.834 68.868 0.068 0.000 1.103 551 T HN 1.224 nan 8.240 nan 0.000 0.486 552 A N 1.717 124.245 122.820 -0.486 0.000 2.359 552 A HA 0.734 5.055 4.320 0.001 0.000 0.303 552 A C 0.412 177.520 177.584 -0.794 0.000 1.066 552 A CA -0.895 50.772 52.037 -0.617 0.000 0.730 552 A CB 0.189 18.904 19.000 -0.475 0.000 1.211 552 A HN 1.099 nan 8.150 nan 0.000 0.439 553 N N 1.122 119.039 118.700 -1.304 0.000 2.708 553 N HA -0.261 4.479 4.740 0.001 0.000 0.249 553 N C 0.890 176.115 175.510 -0.476 0.000 1.097 553 N CA 1.223 53.711 53.050 -0.937 0.000 0.710 553 N CB -0.596 37.646 38.487 -0.409 0.000 1.032 553 N HN 2.118 nan 8.380 nan 0.000 0.551 554 G N -1.622 106.826 108.800 -0.587 0.000 2.136 554 G HA2 -0.103 3.858 3.960 0.001 0.000 0.242 554 G HA3 -0.103 3.858 3.960 0.001 0.000 0.242 554 G C -0.075 174.794 174.900 -0.051 0.000 0.989 554 G CA 0.316 45.430 45.100 0.024 0.000 0.682 554 G HN 0.896 nan 8.290 nan 0.000 0.522 555 A N -0.401 122.311 122.820 -0.181 0.000 2.343 555 A HA 0.995 5.316 4.320 0.001 0.000 0.308 555 A C 0.460 177.934 177.584 -0.182 0.000 1.092 555 A CA 0.602 52.550 52.037 -0.148 0.000 0.751 555 A CB 1.261 20.156 19.000 -0.174 0.000 1.203 555 A HN 2.076 nan 8.150 nan 0.000 0.452 556 A N 2.397 125.149 122.820 -0.113 0.000 2.498 556 A HA 0.545 4.865 4.320 0.001 0.000 0.239 556 A C -0.024 177.427 177.584 -0.222 0.000 1.068 556 A CA 0.304 52.271 52.037 -0.117 0.000 0.766 556 A CB -0.179 18.800 19.000 -0.033 0.000 1.003 556 A HN 0.862 nan 8.150 nan 0.000 0.497 557 L N 1.465 122.473 121.223 -0.358 0.000 2.322 557 L HA 0.463 4.803 4.340 0.001 0.000 0.269 557 L C 0.972 177.757 176.870 -0.142 0.000 1.012 557 L CA -0.669 53.884 54.840 -0.478 0.000 0.815 557 L CB 1.750 43.044 42.059 -1.276 0.000 1.295 557 L HN 0.761 nan 8.230 nan 0.000 0.438 558 S N -0.281 115.406 115.700 -0.022 0.000 2.563 558 S HA 0.052 4.523 4.470 0.001 0.000 0.284 558 S C 0.775 175.560 174.600 0.309 0.000 1.331 558 S CA 0.138 58.405 58.200 0.111 0.000 1.047 558 S CB 0.452 63.700 63.200 0.079 0.000 0.859 558 S HN 0.777 nan 8.310 nan 0.000 0.514 559 T N 1.427 116.109 114.554 0.214 0.000 3.182 559 T HA 0.398 4.748 4.350 0.001 0.000 0.277 559 T C 0.686 175.441 174.700 0.091 0.000 1.013 559 T CA -0.038 62.180 62.100 0.197 0.000 0.900 559 T CB -0.098 68.861 68.868 0.152 0.000 1.098 559 T HN 0.664 nan 8.240 nan 0.000 0.543 560 G N 1.376 110.227 108.800 0.085 0.000 2.483 560 G HA2 0.561 4.521 3.960 0.001 0.000 0.248 560 G HA3 0.561 4.521 3.960 0.001 0.000 0.248 560 G C -0.283 174.633 174.900 0.025 0.000 1.248 560 G CA -0.741 44.385 45.100 0.044 0.000 0.838 560 G HN 0.506 nan 8.290 nan 0.000 0.566 561 L N 0.920 122.147 121.223 0.006 0.000 2.395 561 L HA 0.447 4.787 4.340 0.001 0.000 0.269 561 L C 1.559 178.432 176.870 0.005 0.000 1.133 561 L CA 0.836 55.672 54.840 -0.006 0.000 0.812 561 L CB 1.327 43.377 42.059 -0.014 0.000 1.125 561 L HN 0.959 nan 8.230 nan 0.000 0.452 562 G N 2.119 110.922 108.800 0.005 0.000 2.176 562 G HA2 -0.227 3.734 3.960 0.001 0.000 0.253 562 G HA3 -0.227 3.734 3.960 0.001 0.000 0.253 562 G C -0.067 174.844 174.900 0.019 0.000 0.979 562 G CA -0.051 45.056 45.100 0.011 0.000 0.641 562 G HN 0.374 nan 8.290 nan 0.000 0.530 563 V N 1.047 120.976 119.914 0.026 0.000 2.407 563 V HA 0.751 4.872 4.120 0.001 0.000 0.278 563 V C 0.633 176.754 176.094 0.044 0.000 1.037 563 V CA -0.070 62.251 62.300 0.036 0.000 0.900 563 V CB 1.452 33.307 31.823 0.054 0.000 0.983 563 V HN 1.160 nan 8.190 nan 0.000 0.459 564 A N 5.682 128.521 122.820 0.032 0.000 2.318 564 A HA 0.829 5.149 4.320 0.001 0.000 0.324 564 A C -0.401 177.183 177.584 -0.001 0.000 1.170 564 A CA -0.632 51.419 52.037 0.023 0.000 0.810 564 A CB 1.056 20.072 19.000 0.027 0.000 1.198 564 A HN 0.909 nan 8.150 nan 0.000 0.484 565 Q N 0.650 120.441 119.800 -0.016 0.000 2.416 565 Q HA 0.671 5.011 4.340 0.001 0.000 0.281 565 Q C -1.145 174.779 176.000 -0.126 0.000 1.067 565 Q CA -0.820 54.951 55.803 -0.054 0.000 0.809 565 Q CB 1.703 30.425 28.738 -0.027 0.000 1.418 565 Q HN 0.381 nan 8.270 nan 0.000 0.411 566 T N 2.253 116.718 114.554 -0.148 0.000 2.767 566 T HA 0.468 4.818 4.350 0.001 0.000 0.284 566 T C -0.491 174.089 174.700 -0.199 0.000 0.973 566 T CA -0.526 61.455 62.100 -0.199 0.000 0.996 566 T CB 0.291 69.053 68.868 -0.176 0.000 0.927 566 T HN 0.350 nan 8.240 nan 0.000 0.456 567 L N 4.549 125.627 121.223 -0.241 0.000 2.276 567 L HA 0.415 4.755 4.340 0.001 0.000 0.286 567 L C 0.849 177.569 176.870 -0.249 0.000 1.024 567 L CA -0.874 53.815 54.840 -0.251 0.000 0.826 567 L CB 1.034 42.922 42.059 -0.285 0.000 1.211 567 L HN 0.692 nan 8.230 nan 0.000 0.422 568 T N -1.274 113.158 114.554 -0.204 0.000 2.875 568 T HA 0.510 4.861 4.350 0.001 0.000 0.284 568 T C 1.024 175.624 174.700 -0.167 0.000 0.995 568 T CA -0.005 61.989 62.100 -0.177 0.000 1.060 568 T CB 1.717 70.504 68.868 -0.135 0.000 0.967 568 T HN 0.863 nan 8.240 nan 0.000 0.476 569 G N 1.558 110.267 108.800 -0.152 0.000 2.305 569 G HA2 -0.167 3.793 3.960 0.001 0.000 0.287 569 G HA3 -0.167 3.793 3.960 0.001 0.000 0.287 569 G C 0.107 174.930 174.900 -0.128 0.000 1.036 569 G CA 0.074 45.104 45.100 -0.118 0.000 0.887 569 G HN 1.859 nan 8.290 nan 0.000 0.505 570 V N -2.832 116.965 119.914 -0.194 0.000 2.498 570 V HA 0.603 4.723 4.120 0.001 0.000 0.279 570 V C 0.956 177.027 176.094 -0.039 0.000 1.048 570 V CA -0.055 62.134 62.300 -0.185 0.000 0.967 570 V CB 1.499 33.153 31.823 -0.282 0.000 0.988 570 V HN 0.170 nan 8.190 nan 0.000 0.473 571 N N 3.418 122.178 118.700 0.100 0.000 2.415 571 N HA 0.238 4.978 4.740 0.001 0.000 0.174 571 N C -0.036 175.880 175.510 0.676 0.000 1.048 571 N CA 0.585 53.847 53.050 0.352 0.000 0.895 571 N CB 0.374 39.107 38.487 0.410 0.000 1.036 571 N HN 0.933 nan 8.380 nan 0.000 0.449 572 W N -0.725 120.819 121.300 0.406 0.000 3.363 572 W HA 0.660 5.320 4.660 0.001 0.000 0.306 572 W C -2.023 174.724 176.519 0.381 0.000 1.253 572 W CA -0.804 56.819 57.345 0.463 0.000 1.195 572 W CB 0.288 29.986 29.460 0.398 0.000 1.366 572 W HN -0.451 nan 8.180 nan 0.000 0.551 573 V N 1.813 122.145 119.914 0.698 0.000 2.914 573 V HA 0.489 4.609 4.120 0.001 0.000 0.314 573 V C -1.337 175.224 176.094 0.778 0.000 1.084 573 V CA -0.611 61.997 62.300 0.513 0.000 0.963 573 V CB 2.173 34.283 31.823 0.478 0.000 1.025 573 V HN 0.690 nan 8.190 nan 0.000 0.432 574 H N 2.563 121.950 119.070 0.529 0.000 2.782 574 H HA 0.747 5.304 4.556 0.001 0.000 0.347 574 H C -1.722 173.868 175.328 0.437 0.000 1.038 574 H CA -0.508 55.827 56.048 0.478 0.000 1.255 574 H CB 1.682 31.735 29.762 0.486 0.000 1.623 574 H HN 0.549 nan 8.280 nan 0.000 0.525 575 L N 4.369 125.520 121.223 -0.120 0.000 2.362 575 L HA 0.812 5.153 4.340 0.001 0.000 0.275 575 L C -0.768 175.904 176.870 -0.329 0.000 0.998 575 L CA -0.459 54.352 54.840 -0.048 0.000 0.820 575 L CB 1.412 43.543 42.059 0.120 0.000 1.270 575 L HN 0.823 nan 8.230 nan 0.000 0.415 576 A N 3.403 126.128 122.820 -0.157 0.000 2.354 576 A HA 0.690 5.011 4.320 0.001 0.000 0.269 576 A C 0.500 178.049 177.584 -0.060 0.000 1.109 576 A CA 0.146 52.131 52.037 -0.088 0.000 0.800 576 A CB 0.209 19.233 19.000 0.040 0.000 1.045 576 A HN 0.942 nan 8.150 nan 0.000 0.489 577 G N 0.270 109.049 108.800 -0.036 0.000 2.621 577 G HA2 0.301 4.261 3.960 0.001 0.000 0.271 577 G HA3 0.301 4.261 3.960 0.001 0.000 0.271 577 G C 0.334 175.219 174.900 -0.026 0.000 1.236 577 G CA -0.512 44.568 45.100 -0.035 0.000 0.958 577 G HN 0.709 nan 8.290 nan 0.000 0.512 578 N N -0.494 118.185 118.700 -0.035 0.000 2.398 578 N HA 0.034 4.774 4.740 0.001 0.000 0.188 578 N C 0.705 176.216 175.510 0.000 0.000 1.122 578 N CA 0.594 53.626 53.050 -0.029 0.000 0.866 578 N CB 0.376 38.831 38.487 -0.054 0.000 0.970 578 N HN 0.608 nan 8.380 nan 0.000 0.462 579 T N -4.192 110.372 114.554 0.016 0.000 2.887 579 T HA 0.669 5.020 4.350 0.001 0.000 0.288 579 T C 1.246 175.972 174.700 0.043 0.000 1.021 579 T CA -0.537 61.584 62.100 0.035 0.000 1.000 579 T CB 2.391 71.289 68.868 0.050 0.000 1.034 579 T HN -0.059 nan 8.240 nan 0.000 0.467 580 A N 2.582 125.430 122.820 0.046 0.000 1.896 580 A HA -0.002 4.319 4.320 0.001 0.000 0.220 580 A C 0.464 178.085 177.584 0.061 0.000 1.206 580 A CA 1.815 53.883 52.037 0.051 0.000 0.647 580 A CB -1.090 17.939 19.000 0.048 0.000 0.828 580 A HN 0.955 nan 8.150 nan 0.000 0.455 581 D N -5.369 115.069 120.400 0.064 0.000 2.552 581 D HA 0.509 5.150 4.640 0.001 0.000 0.239 581 D C 0.483 176.832 176.300 0.081 0.000 1.139 581 D CA 0.181 54.225 54.000 0.073 0.000 0.914 581 D CB 1.309 42.151 40.800 0.069 0.000 1.461 581 D HN 0.620 nan 8.370 nan 0.000 0.462 582 G N -0.039 108.817 108.800 0.093 0.000 2.159 582 G HA2 -0.272 3.688 3.960 0.001 0.000 0.256 582 G HA3 -0.272 3.688 3.960 0.001 0.000 0.256 582 G C 0.594 175.559 174.900 0.107 0.000 0.977 582 G CA 0.611 45.778 45.100 0.112 0.000 0.652 582 G HN 0.848 nan 8.290 nan 0.000 0.531 583 S N -0.932 114.812 115.700 0.073 0.000 2.960 583 S HA 0.410 4.881 4.470 0.001 0.000 0.256 583 S C -0.224 174.378 174.600 0.002 0.000 1.017 583 S CA 0.120 58.344 58.200 0.040 0.000 1.144 583 S CB 1.038 64.254 63.200 0.026 0.000 1.109 583 S HN 0.154 nan 8.310 nan 0.000 0.638 584 D N 2.050 122.462 120.400 0.020 0.000 2.339 584 D HA 0.560 5.200 4.640 0.001 0.000 0.245 584 D C -0.200 176.060 176.300 -0.067 0.000 1.115 584 D CA 0.130 54.118 54.000 -0.020 0.000 0.917 584 D CB 0.808 41.680 40.800 0.120 0.000 1.192 584 D HN 0.355 nan 8.370 nan 0.000 0.428 585 I N 0.207 120.683 120.570 -0.156 0.000 2.569 585 I HA 0.484 4.654 4.170 0.001 0.000 0.290 585 I C 0.321 176.264 176.117 -0.290 0.000 1.088 585 I CA -0.873 60.280 61.300 -0.244 0.000 1.047 585 I CB 2.414 40.246 38.000 -0.281 0.000 1.237 585 I HN 0.256 nan 8.210 nan 0.000 0.421 586 G N 4.355 112.954 108.800 -0.335 0.000 2.448 586 G HA2 0.724 4.685 3.960 0.001 0.000 0.324 586 G HA3 0.724 4.685 3.960 0.001 0.000 0.324 586 G C -1.796 172.836 174.900 -0.447 0.000 1.203 586 G CA -0.356 44.658 45.100 -0.144 0.000 0.954 586 G HN 0.406 nan 8.290 nan 0.000 0.480 587 Y N 0.180 120.600 120.300 0.200 0.000 2.391 587 Y HA 0.479 5.029 4.550 0.001 0.000 0.341 587 Y C -0.889 175.069 175.900 0.096 0.000 0.965 587 Y CA -1.075 57.053 58.100 0.045 0.000 1.067 587 Y CB 2.306 40.761 38.460 -0.008 0.000 1.199 587 Y HN 0.579 nan 8.280 nan 0.000 0.450 588 Y N 3.828 124.076 120.300 -0.087 0.000 2.341 588 Y HA 0.636 5.186 4.550 0.001 0.000 0.338 588 Y C -1.960 173.836 175.900 -0.174 0.000 0.965 588 Y CA -2.532 55.599 58.100 0.051 0.000 1.108 588 Y CB 0.736 39.301 38.460 0.176 0.000 1.180 588 Y HN 0.498 nan 8.280 nan 0.000 0.458 589 F N 8.919 128.735 119.950 -0.223 0.000 2.359 589 F HA 0.426 4.954 4.527 0.001 0.000 0.369 589 F C -1.713 173.760 175.800 -0.545 0.000 1.084 589 F CA -2.273 55.590 58.000 -0.229 0.000 1.096 589 F CB 1.123 40.109 39.000 -0.023 0.000 1.335 589 F HN 0.451 nan 8.300 nan 0.000 0.457 590 P HA -0.239 nan 4.420 nan 0.000 0.208 590 P C 1.612 178.868 177.300 -0.074 0.000 0.999 590 P CA 2.100 64.990 63.100 -0.350 0.000 0.988 590 P CB 0.119 31.775 31.700 -0.072 0.000 0.745 591 G N -1.674 107.132 108.800 0.011 0.000 3.234 591 G HA2 0.365 4.326 3.960 0.001 0.000 0.221 591 G HA3 0.365 4.326 3.960 0.001 0.000 0.221 591 G C 0.432 175.358 174.900 0.044 0.000 1.229 591 G CA 0.328 45.451 45.100 0.039 0.000 0.909 591 G HN 0.667 nan 8.290 nan 0.000 0.510 592 G N -1.637 107.196 108.800 0.055 0.000 2.731 592 G HA2 0.440 4.401 3.960 0.001 0.000 0.686 592 G HA3 0.440 4.401 3.960 0.001 0.000 0.686 592 G C -0.216 174.683 174.900 -0.002 0.000 1.395 592 G CA -0.461 44.662 45.100 0.039 0.000 0.870 592 G HN 1.538 nan 8.290 nan 0.000 0.591 593 A N 0.222 122.966 122.820 -0.126 0.000 2.588 593 A HA 0.993 5.314 4.320 0.001 0.000 0.290 593 A C -0.169 177.232 177.584 -0.305 0.000 1.136 593 A CA 0.297 52.199 52.037 -0.224 0.000 0.681 593 A CB 1.688 20.465 19.000 -0.373 0.000 1.282 593 A HN 1.746 nan 8.150 nan 0.000 0.421 594 T N 1.603 115.986 114.554 -0.285 0.000 2.815 594 T HA 0.561 4.911 4.350 0.001 0.000 0.289 594 T C -0.721 173.765 174.700 -0.356 0.000 1.000 594 T CA -0.062 61.868 62.100 -0.283 0.000 0.958 594 T CB 0.183 68.933 68.868 -0.197 0.000 0.944 594 T HN 0.435 nan 8.240 nan 0.000 0.442 595 L N 3.318 124.293 121.223 -0.413 0.000 2.309 595 L HA 0.491 4.832 4.340 0.001 0.000 0.282 595 L C 0.112 176.679 176.870 -0.505 0.000 1.036 595 L CA -1.103 53.459 54.840 -0.464 0.000 0.806 595 L CB 1.344 43.133 42.059 -0.450 0.000 1.220 595 L HN 0.339 nan 8.230 nan 0.000 0.429 596 Q N 2.825 122.158 119.800 -0.778 0.000 2.303 596 Q HA 0.432 4.772 4.340 0.001 0.000 0.257 596 Q C -0.167 175.114 176.000 -1.200 0.000 0.941 596 Q CA -0.256 54.925 55.803 -1.037 0.000 0.931 596 Q CB 1.850 29.662 28.738 -1.544 0.000 1.215 596 Q HN 0.755 nan 8.270 nan 0.000 0.437 597 T N -0.613 113.548 114.554 -0.655 0.000 2.896 597 T HA 0.842 5.193 4.350 0.001 0.000 0.297 597 T C -0.828 173.792 174.700 -0.134 0.000 1.108 597 T CA -0.908 60.981 62.100 -0.352 0.000 1.004 597 T CB 2.319 71.155 68.868 -0.053 0.000 1.159 597 T HN 0.594 nan 8.240 nan 0.000 0.499 598 K N 0.559 120.952 120.400 -0.012 0.000 2.562 598 K HA 0.627 4.947 4.320 0.001 0.000 0.267 598 K C -1.446 175.146 176.600 -0.014 0.000 0.938 598 K CA -1.123 55.186 56.287 0.036 0.000 0.840 598 K CB 2.209 34.779 32.500 0.116 0.000 1.390 598 K HN 0.759 nan 8.250 nan 0.000 0.428 599 R N 1.984 122.465 120.500 -0.031 0.000 2.439 599 R HA 0.274 4.615 4.340 0.001 0.000 0.310 599 R C -1.336 174.951 176.300 -0.022 0.000 0.955 599 R CA -0.198 55.854 56.100 -0.080 0.000 0.853 599 R CB 1.367 31.581 30.300 -0.145 0.000 1.171 599 R HN 0.966 nan 8.270 nan 0.000 0.449 600 E N 2.731 122.931 120.200 0.001 0.000 2.445 600 E HA 0.586 4.937 4.350 0.001 0.000 0.279 600 E C -1.768 174.852 176.600 0.032 0.000 1.018 600 E CA -1.324 55.086 56.400 0.017 0.000 0.816 600 E CB 1.550 31.267 29.700 0.027 0.000 1.356 600 E HN 0.480 nan 8.360 nan 0.000 0.462 601 A N 1.718 124.549 122.820 0.020 0.000 2.260 601 A HA 0.559 4.879 4.320 0.001 0.000 0.314 601 A C -0.475 177.132 177.584 0.037 0.000 1.257 601 A CA -0.661 51.387 52.037 0.018 0.000 0.871 601 A CB 0.335 19.333 19.000 -0.004 0.000 1.166 601 A HN 0.501 nan 8.150 nan 0.000 0.522 602 R N 1.339 121.884 120.500 0.075 0.000 2.604 602 R HA 0.671 5.012 4.340 0.001 0.000 0.287 602 R C -0.743 175.564 176.300 0.013 0.000 0.970 602 R CA -0.483 55.639 56.100 0.037 0.000 0.946 602 R CB 2.040 32.348 30.300 0.013 0.000 1.127 602 R HN 0.633 nan 8.270 nan 0.000 0.473 603 T N 0.321 114.865 114.554 -0.016 0.000 2.912 603 T HA 0.768 5.118 4.350 0.001 0.000 0.288 603 T C -0.265 174.405 174.700 -0.051 0.000 1.030 603 T CA -0.659 61.425 62.100 -0.025 0.000 1.020 603 T CB 2.029 70.889 68.868 -0.014 0.000 1.056 603 T HN 0.805 nan 8.240 nan 0.000 0.480 604 G N 0.691 109.453 108.800 -0.063 0.000 2.441 604 G HA2 0.616 4.577 3.960 0.001 0.000 0.294 604 G HA3 0.616 4.577 3.960 0.001 0.000 0.294 604 G C -1.085 173.762 174.900 -0.089 0.000 1.393 604 G CA -0.472 44.574 45.100 -0.090 0.000 0.796 604 G HN 0.899 nan 8.290 nan 0.000 0.494 605 T N -3.156 111.344 114.554 -0.091 0.000 2.906 605 T HA 0.442 4.792 4.350 0.001 0.000 0.295 605 T C 0.102 174.770 174.700 -0.055 0.000 1.061 605 T CA -0.608 61.473 62.100 -0.031 0.000 1.000 605 T CB 1.983 70.874 68.868 0.038 0.000 1.103 605 T HN 0.546 nan 8.240 nan 0.000 0.486 606 W N 0.595 121.910 121.300 0.025 0.000 2.465 606 W HA 0.146 4.807 4.660 0.001 0.000 0.268 606 W C 2.416 178.937 176.519 0.004 0.000 1.242 606 W CA 0.294 57.652 57.345 0.022 0.000 1.248 606 W CB -0.026 29.455 29.460 0.036 0.000 1.118 606 W HN 0.685 nan 8.180 nan 0.000 0.587 607 K N 0.744 121.265 120.400 0.202 0.000 2.147 607 K HA -0.202 4.119 4.320 0.001 0.000 0.205 607 K C 1.757 178.394 176.600 0.062 0.000 1.049 607 K CA 1.564 57.921 56.287 0.117 0.000 0.936 607 K CB -0.244 32.307 32.500 0.087 0.000 0.722 607 K HN 0.214 nan 8.250 nan 0.000 0.446 608 Q N -0.354 119.462 119.800 0.027 0.000 2.224 608 Q HA -0.025 4.316 4.340 0.001 0.000 0.203 608 Q C 1.351 177.328 176.000 -0.038 0.000 0.970 608 Q CA 1.432 57.227 55.803 -0.013 0.000 0.865 608 Q CB 0.017 28.728 28.738 -0.045 0.000 0.922 608 Q HN 0.562 nan 8.270 nan 0.000 0.445 609 I N -3.606 116.945 120.570 -0.032 0.000 3.927 609 I HA 0.366 4.536 4.170 0.001 0.000 0.332 609 I C -0.287 175.830 176.117 -0.001 0.000 1.485 609 I CA -0.332 60.929 61.300 -0.065 0.000 1.131 609 I CB 0.404 38.336 38.000 -0.115 0.000 1.092 609 I HN -0.085 nan 8.210 nan 0.000 0.410 610 N N 1.853 120.580 118.700 0.045 0.000 3.153 610 N HA 0.121 4.862 4.740 0.001 0.000 0.208 610 N C -0.917 174.628 175.510 0.058 0.000 1.462 610 N CA -0.257 52.827 53.050 0.056 0.000 0.754 610 N CB 0.412 38.964 38.487 0.108 0.000 1.558 610 N HN 0.163 nan 8.380 nan 0.000 0.605 611 N N 1.861 120.582 118.700 0.035 0.000 3.124 611 N HA 0.242 4.982 4.740 0.001 0.000 0.284 611 N C -0.957 174.573 175.510 0.033 0.000 1.209 611 N CA 0.080 53.151 53.050 0.035 0.000 1.149 611 N CB 0.093 38.595 38.487 0.026 0.000 1.434 611 N HN 0.430 nan 8.380 nan 0.000 0.529 612 R N 1.290 121.813 120.500 0.037 0.000 2.854 612 R HA 0.430 4.770 4.340 0.001 0.000 0.271 612 R C -1.371 174.941 176.300 0.020 0.000 0.996 612 R CA -1.748 54.370 56.100 0.031 0.000 0.961 612 R CB 1.324 31.641 30.300 0.030 0.000 1.182 612 R HN 0.211 nan 8.270 nan 0.000 0.479 613 P HA -0.249 nan 4.420 nan 0.000 0.214 613 P C 0.622 177.907 177.300 -0.024 0.000 1.163 613 P CA 1.662 64.755 63.100 -0.011 0.000 0.889 613 P CB 0.093 31.778 31.700 -0.024 0.000 0.790 614 A N -0.832 121.962 122.820 -0.043 0.000 2.255 614 A HA 0.040 4.360 4.320 0.001 0.000 0.206 614 A C 1.264 178.829 177.584 -0.031 0.000 1.193 614 A CA 0.610 52.608 52.037 -0.066 0.000 0.794 614 A CB -1.322 17.604 19.000 -0.123 0.000 0.794 614 A HN 0.298 nan 8.150 nan 0.000 0.481 615 T N 1.110 115.671 114.554 0.013 0.000 2.806 615 T HA 0.474 4.824 4.350 0.001 0.000 0.290 615 T C -2.833 171.906 174.700 0.065 0.000 0.966 615 T CA -2.041 60.091 62.100 0.053 0.000 1.060 615 T CB 0.507 69.430 68.868 0.093 0.000 0.927 615 T HN 0.038 nan 8.240 nan 0.000 0.485 616 P HA 0.134 nan 4.420 nan 0.000 0.264 616 P C -0.136 177.245 177.300 0.135 0.000 1.183 616 P CA 0.111 63.269 63.100 0.097 0.000 0.763 616 P CB 0.505 32.270 31.700 0.109 0.000 0.807 617 S N -0.586 115.173 115.700 0.097 0.000 2.539 617 S HA 0.034 4.505 4.470 0.001 0.000 0.221 617 S C 0.698 175.346 174.600 0.081 0.000 0.987 617 S CA -0.098 58.153 58.200 0.085 0.000 0.929 617 S CB -0.210 63.024 63.200 0.056 0.000 0.832 617 S HN 0.653 nan 8.310 nan 0.000 0.492 618 T N 2.323 116.933 114.554 0.094 0.000 2.902 618 T HA 0.455 4.806 4.350 0.001 0.000 0.301 618 T C 0.185 174.936 174.700 0.085 0.000 1.012 618 T CA -0.352 61.797 62.100 0.082 0.000 1.151 618 T CB 0.508 69.428 68.868 0.087 0.000 0.946 618 T HN 0.221 nan 8.240 nan 0.000 0.542 619 A N 4.439 127.292 122.820 0.055 0.000 2.401 619 A HA 0.618 4.938 4.320 0.001 0.000 0.259 619 A C 0.003 177.610 177.584 0.039 0.000 1.103 619 A CA -0.618 51.441 52.037 0.037 0.000 0.789 619 A CB 0.394 19.407 19.000 0.022 0.000 1.035 619 A HN 0.924 nan 8.150 nan 0.000 0.491 620 V N 1.584 121.511 119.914 0.023 0.000 2.914 620 V HA 0.665 4.786 4.120 0.001 0.000 0.314 620 V C -0.016 176.077 176.094 -0.001 0.000 1.084 620 V CA -0.500 61.815 62.300 0.025 0.000 0.963 620 V CB 2.442 34.294 31.823 0.048 0.000 1.025 620 V HN 0.934 nan 8.190 nan 0.000 0.432 621 T N 4.128 118.683 114.554 0.002 0.000 2.841 621 T HA 0.649 4.999 4.350 0.001 0.000 0.285 621 T C -0.660 174.025 174.700 -0.024 0.000 0.991 621 T CA -0.727 61.368 62.100 -0.007 0.000 0.966 621 T CB 1.319 70.183 68.868 -0.006 0.000 0.962 621 T HN 0.464 nan 8.240 nan 0.000 0.438 622 R N 2.506 122.989 120.500 -0.027 0.000 2.854 622 R HA 0.558 4.899 4.340 0.001 0.000 0.271 622 R C -0.623 175.558 176.300 -0.199 0.000 0.994 622 R CA -1.009 55.009 56.100 -0.137 0.000 0.945 622 R CB 1.219 31.400 30.300 -0.198 0.000 1.194 622 R HN 0.537 nan 8.270 nan 0.000 0.476 623 N N 1.243 119.723 118.700 -0.368 0.000 2.443 623 N HA 0.420 5.161 4.740 0.001 0.000 0.295 623 N C -0.865 174.274 175.510 -0.619 0.000 1.076 623 N CA -0.148 52.714 53.050 -0.313 0.000 0.919 623 N CB 1.298 39.660 38.487 -0.208 0.000 1.176 623 N HN 0.353 nan 8.380 nan 0.000 0.487 624 Y N -0.453 119.770 120.300 -0.128 0.000 2.581 624 Y HA 0.314 4.864 4.550 0.001 0.000 0.345 624 Y C -0.146 175.652 175.900 -0.170 0.000 1.036 624 Y CA -0.972 57.042 58.100 -0.143 0.000 1.042 624 Y CB 1.876 40.252 38.460 -0.140 0.000 1.289 624 Y HN 0.377 nan 8.280 nan 0.000 0.471 625 E N 0.997 121.177 120.200 -0.033 0.000 2.267 625 E HA 0.422 4.772 4.350 0.001 0.000 0.248 625 E C -1.579 174.970 176.600 -0.086 0.000 0.899 625 E CA -0.466 55.818 56.400 -0.193 0.000 0.764 625 E CB 1.030 30.502 29.700 -0.381 0.000 1.227 625 E HN 0.542 nan 8.360 nan 0.000 0.421 626 T N 5.296 119.842 114.554 -0.014 0.000 2.829 626 T HA 0.582 4.932 4.350 0.001 0.000 0.282 626 T C -0.088 174.689 174.700 0.127 0.000 0.990 626 T CA -0.515 61.642 62.100 0.095 0.000 1.028 626 T CB 0.585 69.561 68.868 0.179 0.000 0.951 626 T HN 0.453 nan 8.240 nan 0.000 0.460 627 M N 3.267 122.939 119.600 0.119 0.000 2.326 627 M HA 0.629 5.110 4.480 0.001 0.000 0.292 627 M C -1.520 174.861 176.300 0.134 0.000 1.081 627 M CA -0.773 54.520 55.300 -0.012 0.000 0.919 627 M CB 2.307 34.801 32.600 -0.175 0.000 1.634 627 M HN 0.895 nan 8.290 nan 0.000 0.451 628 W N 2.234 123.432 121.300 -0.171 0.000 3.137 628 W HA 0.820 5.481 4.660 0.001 0.000 0.324 628 W C -2.409 173.983 176.519 -0.211 0.000 1.253 628 W CA -0.898 56.334 57.345 -0.188 0.000 1.183 628 W CB 0.548 29.912 29.460 -0.160 0.000 1.424 628 W HN 0.465 nan 8.180 nan 0.000 0.566 629 I N 2.569 123.098 120.570 -0.068 0.000 2.385 629 I HA 0.156 4.326 4.170 0.001 0.000 0.294 629 I C -0.450 175.526 176.117 -0.235 0.000 0.988 629 I CA -0.441 60.715 61.300 -0.241 0.000 1.265 629 I CB 1.208 39.062 38.000 -0.243 0.000 1.388 629 I HN 0.384 nan 8.210 nan 0.000 0.480 630 D N 4.834 125.098 120.400 -0.226 0.000 2.373 630 D HA 0.197 4.838 4.640 0.001 0.000 0.227 630 D C 0.477 176.689 176.300 -0.146 0.000 1.091 630 D CA -0.162 53.778 54.000 -0.099 0.000 0.840 630 D CB 0.620 41.409 40.800 -0.018 0.000 1.060 630 D HN 0.457 nan 8.370 nan 0.000 0.502 631 H N 2.245 121.364 119.070 0.081 0.000 2.539 631 H HA 0.335 4.891 4.556 0.001 0.000 0.267 631 H C 1.399 176.751 175.328 0.039 0.000 0.982 631 H CA 0.263 56.348 56.048 0.061 0.000 1.146 631 H CB 0.432 30.240 29.762 0.077 0.000 1.382 631 H HN 0.658 nan 8.280 nan 0.000 0.577 632 G N 0.281 109.147 108.800 0.111 0.000 2.725 632 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 632 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 632 G C -0.330 174.608 174.900 0.064 0.000 1.357 632 G CA -0.397 44.743 45.100 0.068 0.000 0.866 632 G HN 0.238 nan 8.290 nan 0.000 0.548 633 T N 0.655 115.231 114.554 0.036 0.000 2.875 633 T HA 0.548 4.899 4.350 0.001 0.000 0.284 633 T C 0.745 175.461 174.700 0.026 0.000 0.995 633 T CA 0.447 62.561 62.100 0.023 0.000 1.060 633 T CB 0.715 69.586 68.868 0.004 0.000 0.967 633 T HN 1.044 nan 8.240 nan 0.000 0.476 634 N N 1.896 120.613 118.700 0.027 0.000 2.688 634 N HA -0.127 4.613 4.740 0.001 0.000 0.258 634 N C -2.543 172.982 175.510 0.024 0.000 1.016 634 N CA -0.272 52.794 53.050 0.026 0.000 0.747 634 N CB -0.473 38.024 38.487 0.016 0.000 0.895 634 N HN 0.452 nan 8.380 nan 0.000 0.543 635 P HA 0.191 nan 4.420 nan 0.000 0.279 635 P C -0.704 176.595 177.300 -0.002 0.000 1.252 635 P CA -0.199 62.914 63.100 0.023 0.000 0.811 635 P CB 1.489 33.215 31.700 0.043 0.000 1.035 636 S N -0.948 114.744 115.700 -0.014 0.000 2.672 636 S HA 0.566 5.036 4.470 0.001 0.000 0.291 636 S C 0.582 175.156 174.600 -0.044 0.000 1.145 636 S CA -0.003 58.180 58.200 -0.029 0.000 1.013 636 S CB 0.681 63.869 63.200 -0.020 0.000 1.017 636 S HN 0.929 nan 8.310 nan 0.000 0.487 637 G N 1.476 110.234 108.800 -0.070 0.000 2.143 637 G HA2 -0.002 3.958 3.960 0.001 0.000 0.248 637 G HA3 -0.002 3.958 3.960 0.001 0.000 0.248 637 G C 0.575 175.420 174.900 -0.092 0.000 0.991 637 G CA 0.071 45.120 45.100 -0.084 0.000 0.689 637 G HN 1.690 nan 8.290 nan 0.000 0.522 638 A N -0.514 122.244 122.820 -0.104 0.000 2.387 638 A HA 0.813 5.134 4.320 0.001 0.000 0.251 638 A C 0.989 178.480 177.584 -0.156 0.000 1.113 638 A CA 1.328 53.300 52.037 -0.109 0.000 0.794 638 A CB 0.412 19.308 19.000 -0.172 0.000 1.069 638 A HN 2.269 nan 8.150 nan 0.000 0.506 639 S N -1.723 113.925 115.700 -0.088 0.000 2.611 639 S HA 0.720 5.191 4.470 0.001 0.000 0.268 639 S C -1.009 173.664 174.600 0.122 0.000 1.156 639 S CA -0.162 57.975 58.200 -0.105 0.000 0.817 639 S CB 1.057 64.184 63.200 -0.121 0.000 1.122 639 S HN 2.075 nan 8.310 nan 0.000 0.466 640 Y N -2.028 118.318 120.300 0.075 0.000 2.624 640 Y HA 0.866 5.417 4.550 0.001 0.000 0.334 640 Y C -0.678 175.296 175.900 0.124 0.000 1.155 640 Y CA -0.667 57.539 58.100 0.178 0.000 1.046 640 Y CB 0.976 39.627 38.460 0.319 0.000 1.316 640 Y HN 1.342 nan 8.280 nan 0.000 0.457 641 G N 1.880 110.946 108.800 0.444 0.000 2.608 641 G HA2 0.530 4.491 3.960 0.001 0.000 0.285 641 G HA3 0.530 4.491 3.960 0.001 0.000 0.285 641 G C -2.287 172.813 174.900 0.333 0.000 1.407 641 G CA -0.747 44.511 45.100 0.263 0.000 1.276 641 G HN 1.146 nan 8.290 nan 0.000 0.587 642 Y N 0.004 120.418 120.300 0.190 0.000 2.588 642 Y HA 0.816 5.366 4.550 0.001 0.000 0.343 642 Y C -1.140 174.798 175.900 0.063 0.000 1.065 642 Y CA -1.770 56.320 58.100 -0.018 0.000 1.038 642 Y CB 1.855 40.234 38.460 -0.135 0.000 1.297 642 Y HN 0.362 nan 8.280 nan 0.000 0.467 643 V N 3.759 123.798 119.914 0.209 0.000 2.487 643 V HA 0.401 4.522 4.120 0.001 0.000 0.298 643 V C -0.333 175.855 176.094 0.157 0.000 1.028 643 V CA -0.909 61.514 62.300 0.206 0.000 0.860 643 V CB 1.565 33.564 31.823 0.292 0.000 0.991 643 V HN 0.767 nan 8.190 nan 0.000 0.427 644 L N 5.616 126.911 121.223 0.120 0.000 2.276 644 L HA 0.510 4.850 4.340 0.001 0.000 0.286 644 L C -0.543 176.214 176.870 -0.188 0.000 1.061 644 L CA -0.288 54.530 54.840 -0.036 0.000 0.807 644 L CB 1.057 43.130 42.059 0.023 0.000 1.177 644 L HN 0.491 nan 8.230 nan 0.000 0.429 645 L N 5.876 126.917 121.223 -0.303 0.000 2.408 645 L HA 0.387 4.727 4.340 0.001 0.000 0.257 645 L C -2.307 174.379 176.870 -0.306 0.000 1.053 645 L CA -1.777 52.873 54.840 -0.316 0.000 0.922 645 L CB 1.092 42.947 42.059 -0.339 0.000 1.261 645 L HN 0.328 nan 8.230 nan 0.000 0.458 646 P HA 0.096 nan 4.420 nan 0.000 0.272 646 P C -0.043 177.177 177.300 -0.134 0.000 1.223 646 P CA -0.119 62.761 63.100 -0.365 0.000 0.784 646 P CB 0.356 31.559 31.700 -0.827 0.000 0.923 647 N N -1.164 117.515 118.700 -0.034 0.000 2.696 647 N HA -0.218 4.522 4.740 0.001 0.000 0.249 647 N C -0.423 175.124 175.510 0.062 0.000 1.090 647 N CA 1.322 54.406 53.050 0.057 0.000 0.716 647 N CB -1.216 37.344 38.487 0.123 0.000 1.020 647 N HN 0.566 nan 8.380 nan 0.000 0.548 648 K N 0.352 120.783 120.400 0.053 0.000 2.208 648 K HA 0.381 4.701 4.320 0.001 0.000 0.247 648 K C 0.751 177.398 176.600 0.079 0.000 0.953 648 K CA -0.570 55.737 56.287 0.033 0.000 0.837 648 K CB 1.396 33.872 32.500 -0.039 0.000 1.131 648 K HN 0.170 nan 8.250 nan 0.000 0.431 649 T N -1.906 112.619 114.554 -0.049 0.000 2.849 649 T HA 0.028 4.378 4.350 0.001 0.000 0.284 649 T C 1.462 175.825 174.700 -0.562 0.000 1.004 649 T CA -0.377 61.601 62.100 -0.204 0.000 1.021 649 T CB 1.260 70.064 68.868 -0.106 0.000 1.013 649 T HN 0.601 nan 8.240 nan 0.000 0.527 650 S N 1.260 116.365 115.700 -0.992 0.000 2.387 650 S HA -0.162 4.308 4.470 0.001 0.000 0.230 650 S C 2.370 176.749 174.600 -0.369 0.000 1.035 650 S CA 0.829 58.651 58.200 -0.628 0.000 1.014 650 S CB -1.250 61.865 63.200 -0.141 0.000 0.836 650 S HN 1.060 nan 8.310 nan 0.000 0.466 651 A N 1.367 124.042 122.820 -0.242 0.000 1.972 651 A HA -0.097 4.223 4.320 0.001 0.000 0.219 651 A C 2.335 179.772 177.584 -0.244 0.000 1.169 651 A CA 1.473 53.400 52.037 -0.185 0.000 0.635 651 A CB -0.661 18.283 19.000 -0.093 0.000 0.810 651 A HN 0.656 nan 8.150 nan 0.000 0.446 652 Q N -0.731 118.928 119.800 -0.235 0.000 2.062 652 Q HA -0.055 4.285 4.340 0.001 0.000 0.196 652 Q C 2.109 177.953 176.000 -0.260 0.000 0.967 652 Q CA 1.378 57.069 55.803 -0.187 0.000 0.832 652 Q CB -0.243 28.426 28.738 -0.116 0.000 0.899 652 Q HN 0.453 nan 8.270 nan 0.000 0.442 653 V N 0.619 120.317 119.914 -0.360 0.000 2.392 653 V HA -0.240 3.880 4.120 0.001 0.000 0.249 653 V C 2.139 177.731 176.094 -0.838 0.000 1.059 653 V CA 2.011 64.056 62.300 -0.426 0.000 1.051 653 V CB -1.072 30.589 31.823 -0.270 0.000 0.658 653 V HN 0.549 nan 8.190 nan 0.000 0.455 654 G N -0.719 107.344 108.800 -1.229 0.000 2.408 654 G HA2 -0.127 3.833 3.960 0.001 0.000 0.217 654 G HA3 -0.127 3.833 3.960 0.001 0.000 0.217 654 G C 1.767 176.346 174.900 -0.535 0.000 1.150 654 G CA 0.935 45.253 45.100 -1.303 0.000 0.776 654 G HN 0.596 nan 8.290 nan 0.000 0.542 655 A N 0.276 122.885 122.820 -0.352 0.000 1.858 655 A HA -0.083 4.238 4.320 0.001 0.000 0.216 655 A C 2.193 179.658 177.584 -0.199 0.000 1.190 655 A CA 1.739 53.655 52.037 -0.201 0.000 0.617 655 A CB -0.919 17.996 19.000 -0.142 0.000 0.827 655 A HN 0.429 nan 8.150 nan 0.000 0.443 656 Y N 0.598 120.710 120.300 -0.312 0.000 2.114 656 Y HA -0.234 4.316 4.550 0.001 0.000 0.282 656 Y C 2.654 178.289 175.900 -0.442 0.000 1.165 656 Y CA 1.845 59.748 58.100 -0.328 0.000 1.148 656 Y CB -0.415 37.853 38.460 -0.320 0.000 0.972 656 Y HN 0.315 nan 8.280 nan 0.000 0.504 657 A N -0.256 122.390 122.820 -0.290 0.000 2.070 657 A HA -0.035 4.285 4.320 0.001 0.000 0.220 657 A C 2.273 179.795 177.584 -0.103 0.000 1.159 657 A CA 1.480 53.360 52.037 -0.262 0.000 0.656 657 A CB -1.205 17.865 19.000 0.116 0.000 0.800 657 A HN 0.597 nan 8.150 nan 0.000 0.453 658 A N -0.663 122.069 122.820 -0.146 0.000 1.855 658 A HA 0.098 4.418 4.320 0.001 0.000 0.213 658 A C 0.985 178.497 177.584 -0.120 0.000 1.195 658 A CA 1.489 53.482 52.037 -0.074 0.000 0.610 658 A CB -0.079 18.877 19.000 -0.073 0.000 0.837 658 A HN 0.387 nan 8.150 nan 0.000 0.444 659 D N -0.210 120.059 120.400 -0.217 0.000 2.443 659 D HA 0.320 4.961 4.640 0.001 0.000 0.281 659 D C -2.811 173.233 176.300 -0.427 0.000 1.210 659 D CA -1.942 51.917 54.000 -0.235 0.000 0.875 659 D CB 0.977 41.676 40.800 -0.169 0.000 1.125 659 D HN 0.149 nan 8.370 nan 0.000 0.503 660 P HA 0.163 nan 4.420 nan 0.000 0.271 660 P C 0.271 177.227 177.300 -0.573 0.000 1.216 660 P CA -0.310 62.235 63.100 -0.925 0.000 0.776 660 P CB 1.786 33.077 31.700 -0.681 0.000 0.881 661 A N 3.169 125.618 122.820 -0.617 0.000 2.238 661 A HA 0.091 4.412 4.320 0.001 0.000 0.208 661 A C 0.914 178.408 177.584 -0.150 0.000 1.177 661 A CA 0.496 52.381 52.037 -0.254 0.000 0.804 661 A CB -0.527 18.402 19.000 -0.119 0.000 0.823 661 A HN 0.481 nan 8.150 nan 0.000 0.482 662 I N -0.514 120.007 120.570 -0.081 0.000 2.707 662 I HA 0.430 4.601 4.170 0.001 0.000 0.309 662 I C -0.064 176.066 176.117 0.022 0.000 1.001 662 I CA -1.030 60.287 61.300 0.029 0.000 1.129 662 I CB 1.734 39.877 38.000 0.238 0.000 1.308 662 I HN 0.305 nan 8.210 nan 0.000 0.466 663 E N 5.524 125.732 120.200 0.013 0.000 2.404 663 E HA 0.303 4.654 4.350 0.001 0.000 0.298 663 E C -1.584 175.009 176.600 -0.012 0.000 0.908 663 E CA -0.608 55.795 56.400 0.006 0.000 0.808 663 E CB 0.865 30.545 29.700 -0.033 0.000 1.380 663 E HN 0.342 nan 8.360 nan 0.000 0.392 664 I N 4.943 125.518 120.570 0.008 0.000 2.581 664 I HA -0.045 4.126 4.170 0.001 0.000 0.285 664 I C 1.207 177.297 176.117 -0.046 0.000 1.129 664 I CA 0.400 61.682 61.300 -0.030 0.000 1.397 664 I CB 0.923 38.919 38.000 -0.008 0.000 1.399 664 I HN 0.543 nan 8.210 nan 0.000 0.537 665 V N 7.158 127.024 119.914 -0.081 0.000 2.346 665 V HA 0.011 4.131 4.120 0.001 0.000 0.244 665 V C 0.495 176.554 176.094 -0.059 0.000 1.037 665 V CA 1.384 63.643 62.300 -0.068 0.000 1.029 665 V CB 0.024 31.797 31.823 -0.084 0.000 0.663 665 V HN 0.671 nan 8.190 nan 0.000 0.454 666 V N -2.098 117.771 119.914 -0.075 0.000 3.000 666 V HA 0.657 4.777 4.120 0.001 0.000 0.300 666 V C -1.098 174.959 176.094 -0.062 0.000 1.251 666 V CA -0.839 61.425 62.300 -0.061 0.000 0.972 666 V CB 1.927 33.714 31.823 -0.060 0.000 1.065 666 V HN 0.201 nan 8.190 nan 0.000 0.431 667 N N 1.695 120.361 118.700 -0.056 0.000 2.672 667 N HA 0.373 5.114 4.740 0.001 0.000 0.295 667 N C -0.408 175.053 175.510 -0.082 0.000 1.924 667 N CA 0.486 53.493 53.050 -0.072 0.000 0.851 667 N CB 1.091 39.524 38.487 -0.091 0.000 1.281 667 N HN 1.124 nan 8.380 nan 0.000 0.494 668 T N -1.504 113.016 114.554 -0.055 0.000 2.884 668 T HA 0.488 4.839 4.350 0.001 0.000 0.277 668 T C 0.383 175.037 174.700 -0.076 0.000 0.976 668 T CA -0.316 61.750 62.100 -0.058 0.000 0.956 668 T CB 0.966 69.819 68.868 -0.025 0.000 1.113 668 T HN 0.194 nan 8.240 nan 0.000 0.554 672 V N 0.558 120.588 119.914 0.194 0.000 2.966 672 V HA 0.652 4.773 4.120 0.001 0.000 0.288 672 V C -2.253 173.838 176.094 -0.004 0.000 1.380 672 V CA -0.590 61.698 62.300 -0.019 0.000 0.966 672 V CB 1.952 33.625 31.823 -0.249 0.000 1.115 672 V HN 0.225 nan 8.190 nan 0.000 0.436 673 Q N 3.465 123.260 119.800 -0.008 0.000 2.325 673 Q HA 0.744 5.085 4.340 0.001 0.000 0.270 673 Q C -1.044 174.963 176.000 0.011 0.000 1.020 673 Q CA -0.372 55.466 55.803 0.059 0.000 0.785 673 Q CB 2.176 31.044 28.738 0.216 0.000 1.259 673 Q HN 0.807 nan 8.270 nan 0.000 0.452 674 S N 1.950 117.575 115.700 -0.125 0.000 2.547 674 S HA 0.749 5.220 4.470 0.001 0.000 0.281 674 S C -1.339 173.023 174.600 -0.396 0.000 1.118 674 S CA -0.488 57.547 58.200 -0.274 0.000 0.947 674 S CB 1.427 64.510 63.200 -0.195 0.000 1.053 674 S HN 0.338 nan 8.310 nan 0.000 0.482 675 V N 4.921 124.445 119.914 -0.650 0.000 2.760 675 V HA 0.595 4.716 4.120 0.001 0.000 0.309 675 V C 0.153 176.130 176.094 -0.196 0.000 1.077 675 V CA -0.775 61.271 62.300 -0.423 0.000 0.910 675 V CB 1.916 33.422 31.823 -0.528 0.000 1.008 675 V HN 0.954 nan 8.190 nan 0.000 0.424 676 K N 2.525 122.855 120.400 -0.116 0.000 2.096 676 K HA 0.612 4.932 4.320 0.001 0.000 0.263 676 K C 0.178 176.622 176.600 -0.259 0.000 1.013 676 K CA -0.523 55.684 56.287 -0.134 0.000 1.218 676 K CB 1.451 33.886 32.500 -0.108 0.000 1.961 676 K HN 0.559 nan 8.250 nan 0.000 0.851 677 K N -0.999 119.269 120.400 -0.220 0.000 2.585 677 K HA 0.040 4.361 4.320 0.001 0.000 0.198 677 K C 1.753 178.272 176.600 -0.135 0.000 1.403 677 K CA 0.728 56.924 56.287 -0.151 0.000 1.021 677 K CB 0.362 32.785 32.500 -0.128 0.000 1.558 677 K HN 0.687 nan 8.250 nan 0.000 0.524 678 T N 0.087 114.556 114.554 -0.142 0.000 2.942 678 T HA 0.044 4.395 4.350 0.001 0.000 0.265 678 T C 1.606 176.245 174.700 -0.101 0.000 1.062 678 T CA 0.627 62.666 62.100 -0.102 0.000 1.139 678 T CB 0.065 68.888 68.868 -0.075 0.000 0.883 678 T HN -0.093 nan 8.240 nan 0.000 0.468 679 L N 0.864 121.991 121.223 -0.161 0.000 2.529 679 L HA 0.371 4.711 4.340 0.001 0.000 0.223 679 L C 2.069 178.851 176.870 -0.146 0.000 1.113 679 L CA 1.326 56.070 54.840 -0.161 0.000 0.861 679 L CB -1.339 40.552 42.059 -0.279 0.000 1.012 679 L HN 0.679 nan 8.230 nan 0.000 0.461 680 G N 0.985 109.698 108.800 -0.145 0.000 2.160 680 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 680 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 680 G C 0.159 175.000 174.900 -0.098 0.000 1.022 680 G CA 0.032 45.075 45.100 -0.096 0.000 0.741 680 G HN 0.282 nan 8.290 nan 0.000 0.508 681 L N -0.076 121.044 121.223 -0.173 0.000 2.307 681 L HA 0.704 5.045 4.340 0.001 0.000 0.282 681 L C 0.146 176.983 176.870 -0.054 0.000 1.051 681 L CA -1.107 53.661 54.840 -0.119 0.000 0.804 681 L CB 1.968 43.906 42.059 -0.201 0.000 1.197 681 L HN -0.038 nan 8.230 nan 0.000 0.431 682 V N 2.157 122.100 119.914 0.048 0.000 2.525 682 V HA 0.610 4.730 4.120 0.001 0.000 0.299 682 V C 0.223 176.390 176.094 0.122 0.000 1.034 682 V CA -0.524 61.807 62.300 0.050 0.000 0.863 682 V CB 1.730 33.573 31.823 0.033 0.000 0.999 682 V HN 0.861 nan 8.190 nan 0.000 0.423 683 G N 2.941 111.790 108.800 0.081 0.000 2.420 683 G HA2 0.853 4.814 3.960 0.001 0.000 0.331 683 G HA3 0.853 4.814 3.960 0.001 0.000 0.331 683 G C -0.799 174.173 174.900 0.120 0.000 1.168 683 G CA -0.339 44.884 45.100 0.204 0.000 0.936 683 G HN 1.258 nan 8.290 nan 0.000 0.479 684 A N 1.654 124.639 122.820 0.274 0.000 2.491 684 A HA 0.655 4.976 4.320 0.001 0.000 0.293 684 A C -0.816 176.756 177.584 -0.019 0.000 1.047 684 A CA -0.806 51.248 52.037 0.027 0.000 0.735 684 A CB 1.019 19.919 19.000 -0.167 0.000 1.281 684 A HN 0.680 nan 8.150 nan 0.000 0.398 685 N N 0.976 119.558 118.700 -0.197 0.000 2.392 685 N HA 0.663 5.403 4.740 0.001 0.000 0.283 685 N C -1.613 173.504 175.510 -0.654 0.000 1.003 685 N CA -0.273 52.607 53.050 -0.283 0.000 0.892 685 N CB 1.415 39.569 38.487 -0.554 0.000 1.193 685 N HN 0.469 nan 8.380 nan 0.000 0.487 686 F N 1.003 120.828 119.950 -0.207 0.000 2.411 686 F HA 0.301 4.828 4.527 0.001 0.000 0.352 686 F C 0.195 175.932 175.800 -0.105 0.000 1.123 686 F CA -0.896 57.028 58.000 -0.128 0.000 1.044 686 F CB 0.633 39.642 39.000 0.016 0.000 1.135 686 F HN 0.597 nan 8.300 nan 0.000 0.461 687 W N 0.865 122.265 121.300 0.167 0.000 3.290 687 W HA 0.172 4.833 4.660 0.001 0.000 0.287 687 W C 0.500 177.111 176.519 0.153 0.000 1.288 687 W CA -0.031 57.336 57.345 0.036 0.000 1.725 687 W CB 0.021 29.351 29.460 -0.216 0.000 1.103 687 W HN 0.394 nan 8.180 nan 0.000 0.670 688 T N -3.743 111.025 114.554 0.357 0.000 2.906 688 T HA 0.250 4.601 4.350 0.001 0.000 0.295 688 T C -0.293 174.523 174.700 0.193 0.000 1.075 688 T CA -0.827 61.421 62.100 0.248 0.000 1.005 688 T CB 2.287 71.263 68.868 0.182 0.000 1.136 688 T HN -0.246 nan 8.240 nan 0.000 0.498 689 D N 2.378 122.858 120.400 0.134 0.000 3.038 689 D HA 0.224 4.864 4.640 0.001 0.000 0.243 689 D C 0.534 176.864 176.300 0.050 0.000 1.245 689 D CA 0.146 54.194 54.000 0.079 0.000 0.871 689 D CB -0.134 40.702 40.800 0.061 0.000 1.089 689 D HN 0.786 nan 8.370 nan 0.000 0.464 690 T N -3.526 111.065 114.554 0.062 0.000 2.916 690 T HA 0.386 4.736 4.350 0.001 0.000 0.292 690 T C 0.234 174.949 174.700 0.025 0.000 1.064 690 T CA -0.746 61.378 62.100 0.041 0.000 1.011 690 T CB 1.918 70.820 68.868 0.056 0.000 1.152 690 T HN -0.214 nan 8.240 nan 0.000 0.510 691 T N 2.905 117.462 114.554 0.004 0.000 2.752 691 T HA 0.368 4.719 4.350 0.001 0.000 0.295 691 T C -0.217 174.499 174.700 0.026 0.000 0.923 691 T CA -0.138 61.951 62.100 -0.019 0.000 1.112 691 T CB -0.004 68.844 68.868 -0.032 0.000 0.884 691 T HN 0.574 nan 8.240 nan 0.000 0.525 692 Q N 1.329 121.161 119.800 0.054 0.000 2.456 692 Q HA 0.678 5.019 4.340 0.001 0.000 0.283 692 Q C -0.450 175.671 176.000 0.202 0.000 1.084 692 Q CA -1.105 54.792 55.803 0.157 0.000 0.801 692 Q CB 2.455 31.366 28.738 0.289 0.000 1.434 692 Q HN 0.700 nan 8.270 nan 0.000 0.419 693 T N -2.148 112.528 114.554 0.203 0.000 2.921 693 T HA 0.814 5.164 4.350 0.001 0.000 0.297 693 T C -1.477 173.325 174.700 0.170 0.000 1.013 693 T CA -0.699 61.521 62.100 0.200 0.000 0.990 693 T CB 1.556 70.472 68.868 0.080 0.000 1.023 693 T HN 0.620 nan 8.240 nan 0.000 0.447 694 A N 3.734 126.668 122.820 0.191 0.000 2.311 694 A HA 0.738 5.058 4.320 0.001 0.000 0.306 694 A C 0.315 177.934 177.584 0.057 0.000 1.189 694 A CA 0.024 52.100 52.037 0.065 0.000 0.791 694 A CB 0.196 19.172 19.000 -0.039 0.000 1.172 694 A HN 1.368 nan 8.150 nan 0.000 0.481 695 D N 0.526 120.939 120.400 0.022 0.000 3.608 695 D HA -0.320 4.321 4.640 0.001 0.000 0.152 695 D C 1.119 177.434 176.300 0.025 0.000 0.971 695 D CA 2.885 56.893 54.000 0.013 0.000 1.072 695 D CB -0.747 40.054 40.800 0.002 0.000 0.507 695 D HN 1.070 nan 8.370 nan 0.000 0.520 696 L N -0.804 120.434 121.223 0.025 0.000 2.554 696 L HA 0.326 4.667 4.340 0.001 0.000 0.226 696 L C 0.400 177.287 176.870 0.028 0.000 1.137 696 L CA -0.177 54.674 54.840 0.018 0.000 0.863 696 L CB -0.120 41.944 42.059 0.009 0.000 0.985 696 L HN 0.200 nan 8.230 nan 0.000 0.451 697 I N 1.318 121.934 120.570 0.078 0.000 2.331 697 I HA 0.333 4.503 4.170 0.001 0.000 0.292 697 I C -0.236 175.943 176.117 0.104 0.000 0.998 697 I CA 0.122 61.487 61.300 0.108 0.000 1.267 697 I CB 1.051 39.205 38.000 0.256 0.000 1.386 697 I HN -0.002 nan 8.210 nan 0.000 0.476 698 T N 4.713 119.237 114.554 -0.051 0.000 2.848 698 T HA 0.437 4.788 4.350 0.001 0.000 0.285 698 T C -0.192 174.308 174.700 -0.334 0.000 0.995 698 T CA -0.466 61.562 62.100 -0.120 0.000 0.970 698 T CB 1.946 70.753 68.868 -0.102 0.000 0.976 698 T HN 0.678 nan 8.240 nan 0.000 0.441 699 S N 1.423 116.809 115.700 -0.523 0.000 2.599 699 S HA 0.492 4.963 4.470 0.001 0.000 0.287 699 S C 0.442 174.809 174.600 -0.388 0.000 1.105 699 S CA -0.798 57.011 58.200 -0.651 0.000 0.899 699 S CB 0.984 63.386 63.200 -1.329 0.000 1.100 699 S HN 0.882 nan 8.310 nan 0.000 0.482 700 N N 1.040 119.568 118.700 -0.286 0.000 2.171 700 N HA 0.327 5.068 4.740 0.001 0.000 0.212 700 N C -0.383 175.062 175.510 -0.109 0.000 1.184 700 N CA -0.502 52.453 53.050 -0.158 0.000 0.888 700 N CB 0.355 38.764 38.487 -0.131 0.000 1.038 700 N HN 0.142 nan 8.380 nan 0.000 0.517 701 K N 0.863 121.180 120.400 -0.140 0.000 2.480 701 K HA 0.361 4.681 4.320 0.001 0.000 0.258 701 K C -1.121 175.474 176.600 -0.008 0.000 0.990 701 K CA -0.695 55.556 56.287 -0.060 0.000 0.857 701 K CB 1.711 34.165 32.500 -0.077 0.000 1.384 701 K HN -0.023 nan 8.250 nan 0.000 0.446 702 K N 1.160 121.608 120.400 0.080 0.000 2.484 702 K HA 0.439 4.759 4.320 0.001 0.000 0.280 702 K C -0.574 176.058 176.600 0.054 0.000 1.013 702 K CA 0.145 56.556 56.287 0.206 0.000 1.029 702 K CB 0.433 33.062 32.500 0.215 0.000 0.902 702 K HN 0.610 nan 8.250 nan 0.000 0.481 703 A N 1.733 124.661 122.820 0.180 0.000 2.586 703 A HA 0.452 4.773 4.320 0.001 0.000 0.291 703 A C -1.396 176.343 177.584 0.258 0.000 1.062 703 A CA -0.709 51.368 52.037 0.067 0.000 0.666 703 A CB 1.934 20.938 19.000 0.008 0.000 1.281 703 A HN 0.430 nan 8.150 nan 0.000 0.421 704 S N -0.035 115.749 115.700 0.139 0.000 2.596 704 S HA 0.678 5.148 4.470 0.001 0.000 0.318 704 S C -1.063 173.676 174.600 0.231 0.000 1.097 704 S CA -0.352 57.977 58.200 0.216 0.000 1.080 704 S CB 0.668 63.946 63.200 0.130 0.000 0.991 704 S HN 1.148 nan 8.310 nan 0.000 0.471 705 V N 6.008 126.105 119.914 0.305 0.000 2.914 705 V HA 0.700 4.821 4.120 0.001 0.000 0.314 705 V C -0.382 175.880 176.094 0.281 0.000 1.084 705 V CA -0.709 61.768 62.300 0.295 0.000 0.963 705 V CB 2.191 34.218 31.823 0.341 0.000 1.025 705 V HN 0.825 nan 8.190 nan 0.000 0.432 706 M N 3.194 122.948 119.600 0.256 0.000 2.322 706 M HA 0.492 4.972 4.480 0.001 0.000 0.285 706 M C -0.958 175.477 176.300 0.226 0.000 1.119 706 M CA -0.197 55.246 55.300 0.240 0.000 0.953 706 M CB 2.608 35.347 32.600 0.231 0.000 1.701 706 M HN 0.967 nan 8.290 nan 0.000 0.479 707 T N 0.464 115.132 114.554 0.191 0.000 2.906 707 T HA 0.802 5.153 4.350 0.001 0.000 0.295 707 T C -0.892 173.884 174.700 0.126 0.000 1.075 707 T CA -0.944 61.259 62.100 0.172 0.000 1.005 707 T CB 2.951 71.910 68.868 0.151 0.000 1.136 707 T HN 0.797 nan 8.240 nan 0.000 0.498 708 R N 0.669 121.244 120.500 0.126 0.000 2.532 708 R HA 0.491 4.832 4.340 0.001 0.000 0.297 708 R C -1.274 175.074 176.300 0.081 0.000 0.984 708 R CA -0.511 55.636 56.100 0.078 0.000 0.884 708 R CB 1.726 32.080 30.300 0.091 0.000 1.182 708 R HN 0.910 nan 8.270 nan 0.000 0.442 709 E N 5.534 125.761 120.200 0.044 0.000 2.176 709 E HA 0.275 4.626 4.350 0.001 0.000 0.267 709 E C -0.817 175.803 176.600 0.032 0.000 0.893 709 E CA -0.755 55.672 56.400 0.046 0.000 0.761 709 E CB 1.138 30.856 29.700 0.030 0.000 1.133 709 E HN 0.419 nan 8.360 nan 0.000 0.409 710 I N 3.972 124.569 120.570 0.044 0.000 2.388 710 I HA 0.246 4.416 4.170 0.001 0.000 0.281 710 I C 0.360 176.495 176.117 0.031 0.000 1.046 710 I CA -0.647 60.674 61.300 0.036 0.000 1.187 710 I CB 0.123 38.151 38.000 0.046 0.000 1.351 710 I HN 0.672 nan 8.210 nan 0.000 0.472 711 A N 5.118 127.949 122.820 0.019 0.000 2.591 711 A HA -0.147 4.174 4.320 0.001 0.000 0.265 711 A C 0.945 178.541 177.584 0.020 0.000 0.946 711 A CA 0.869 52.915 52.037 0.015 0.000 0.928 711 A CB -0.715 18.288 19.000 0.007 0.000 0.816 711 A HN 0.890 nan 8.150 nan 0.000 0.466 712 D N 0.349 120.762 120.400 0.022 0.000 2.931 712 D HA -0.242 4.399 4.640 0.001 0.000 0.228 712 D C 0.554 176.873 176.300 0.031 0.000 1.180 712 D CA 2.050 56.064 54.000 0.024 0.000 0.784 712 D CB -0.674 40.137 40.800 0.017 0.000 1.093 712 D HN 0.894 nan 8.370 nan 0.000 0.421 713 E N -0.507 119.716 120.200 0.038 0.000 2.941 713 E HA 0.290 4.641 4.350 0.001 0.000 0.180 713 E C 0.489 177.124 176.600 0.060 0.000 1.130 713 E CA -0.073 56.353 56.400 0.043 0.000 1.243 713 E CB 0.802 30.525 29.700 0.039 0.000 1.582 713 E HN 0.194 nan 8.360 nan 0.000 0.499 714 R N -0.220 120.322 120.500 0.070 0.000 2.739 714 R HA 0.531 4.872 4.340 0.001 0.000 0.271 714 R C -2.100 174.268 176.300 0.113 0.000 1.010 714 R CA -0.846 55.312 56.100 0.095 0.000 0.897 714 R CB 1.300 31.651 30.300 0.086 0.000 1.236 714 R HN 0.189 nan 8.270 nan 0.000 0.466 715 L N 1.677 122.998 121.223 0.164 0.000 2.438 715 L HA 0.514 4.855 4.340 0.001 0.000 0.270 715 L C -1.337 175.681 176.870 0.245 0.000 0.972 715 L CA -0.075 54.877 54.840 0.186 0.000 0.831 715 L CB 2.042 44.207 42.059 0.177 0.000 1.273 715 L HN 0.716 nan 8.230 nan 0.000 0.405 716 E N 3.437 123.759 120.200 0.203 0.000 2.221 716 E HA 0.888 5.239 4.350 0.001 0.000 0.268 716 E C -1.228 175.496 176.600 0.206 0.000 0.933 716 E CA -1.119 55.395 56.400 0.190 0.000 0.809 716 E CB 2.219 32.081 29.700 0.271 0.000 1.190 716 E HN 0.770 nan 8.360 nan 0.000 0.406 717 A N 1.307 124.209 122.820 0.135 0.000 2.547 717 A HA 0.604 4.924 4.320 0.001 0.000 0.297 717 A C -1.152 176.550 177.584 0.197 0.000 1.056 717 A CA -0.629 51.538 52.037 0.218 0.000 0.688 717 A CB 1.898 21.098 19.000 0.335 0.000 1.282 717 A HN 0.389 nan 8.150 nan 0.000 0.400 718 S N 0.143 116.010 115.700 0.278 0.000 2.538 718 S HA 0.762 5.232 4.470 0.001 0.000 0.288 718 S C -0.676 174.093 174.600 0.282 0.000 1.108 718 S CA -0.479 57.897 58.200 0.294 0.000 0.971 718 S CB 1.700 65.083 63.200 0.305 0.000 1.041 718 S HN 0.952 nan 8.310 nan 0.000 0.483 719 V N 2.007 122.101 119.914 0.301 0.000 3.040 719 V HA 0.942 5.062 4.120 0.001 0.000 0.312 719 V C -0.475 175.791 176.094 0.287 0.000 1.115 719 V CA -0.829 61.631 62.300 0.267 0.000 0.998 719 V CB 2.101 34.076 31.823 0.253 0.000 1.042 719 V HN 0.985 nan 8.190 nan 0.000 0.433 720 S N 0.099 115.912 115.700 0.188 0.000 2.547 720 S HA 0.538 5.009 4.470 0.001 0.000 0.270 720 S C -1.572 173.032 174.600 0.007 0.000 1.150 720 S CA -0.726 57.568 58.200 0.157 0.000 0.850 720 S CB 2.033 65.291 63.200 0.097 0.000 1.118 720 S HN 0.817 nan 8.310 nan 0.000 0.461 721 D N 2.477 122.865 120.400 -0.020 0.000 2.499 721 D HA 0.401 5.041 4.640 0.001 0.000 0.225 721 D C -0.975 175.172 176.300 -0.254 0.000 1.124 721 D CA -2.403 51.507 54.000 -0.152 0.000 0.938 721 D CB 1.190 41.940 40.800 -0.084 0.000 1.014 721 D HN 0.293 nan 8.370 nan 0.000 0.517 722 P HA -0.183 nan 4.420 nan 0.000 0.223 722 P C 1.154 178.196 177.300 -0.431 0.000 1.144 722 P CA 1.078 63.852 63.100 -0.545 0.000 0.783 722 P CB -0.032 31.015 31.700 -1.088 0.000 0.771 723 T N -3.554 110.731 114.554 -0.450 0.000 3.023 723 T HA -0.102 4.249 4.350 0.001 0.000 0.266 723 T C 1.273 175.908 174.700 -0.108 0.000 1.093 723 T CA 0.472 62.437 62.100 -0.225 0.000 1.129 723 T CB -1.018 67.747 68.868 -0.171 0.000 0.899 723 T HN 0.222 nan 8.240 nan 0.000 0.491 724 Q N -0.278 119.460 119.800 -0.103 0.000 2.480 724 Q HA -0.254 4.087 4.340 0.001 0.000 0.265 724 Q C 1.030 177.016 176.000 -0.022 0.000 1.072 724 Q CA 0.582 56.360 55.803 -0.042 0.000 1.018 724 Q CB -2.072 26.650 28.738 -0.026 0.000 1.433 724 Q HN 0.820 nan 8.270 nan 0.000 0.513 725 A N -0.114 122.686 122.820 -0.032 0.000 2.312 725 A HA 0.088 4.409 4.320 0.001 0.000 0.215 725 A C 0.468 178.045 177.584 -0.013 0.000 1.256 725 A CA -0.074 51.955 52.037 -0.013 0.000 0.966 725 A CB 0.485 19.482 19.000 -0.005 0.000 1.053 725 A HN 0.262 nan 8.150 nan 0.000 0.510 726 N N 2.318 121.001 118.700 -0.028 0.000 2.416 726 N HA 0.029 4.770 4.740 0.001 0.000 0.265 726 N C -0.388 175.110 175.510 -0.020 0.000 1.195 726 N CA 0.286 53.320 53.050 -0.028 0.000 0.943 726 N CB 0.338 38.797 38.487 -0.048 0.000 1.115 726 N HN 0.436 nan 8.380 nan 0.000 0.481 727 N N 2.035 120.727 118.700 -0.013 0.000 2.320 727 N HA 0.217 4.958 4.740 0.001 0.000 0.237 727 N C 0.675 176.175 175.510 -0.016 0.000 1.129 727 N CA -0.576 52.469 53.050 -0.008 0.000 0.854 727 N CB 0.820 39.307 38.487 0.001 0.000 1.083 727 N HN 0.440 nan 8.380 nan 0.000 0.504 728 G N -0.355 108.428 108.800 -0.028 0.000 3.267 728 G HA2 0.564 4.525 3.960 0.001 0.000 0.200 728 G HA3 0.564 4.525 3.960 0.001 0.000 0.200 728 G C -0.444 174.422 174.900 -0.057 0.000 1.603 728 G CA 0.236 45.315 45.100 -0.036 0.000 0.753 728 G HN 0.420 nan 8.290 nan 0.000 0.755 729 T N -2.333 112.180 114.554 -0.069 0.000 2.812 729 T HA 0.656 5.006 4.350 0.001 0.000 0.294 729 T C -1.681 172.956 174.700 -0.105 0.000 1.159 729 T CA -0.557 61.486 62.100 -0.096 0.000 1.008 729 T CB 2.028 70.843 68.868 -0.088 0.000 1.289 729 T HN 0.230 nan 8.240 nan 0.000 0.514 730 I N 1.502 121.995 120.570 -0.129 0.000 2.410 730 I HA 0.627 4.798 4.170 0.001 0.000 0.286 730 I C 0.278 176.284 176.117 -0.185 0.000 1.009 730 I CA -0.726 60.485 61.300 -0.149 0.000 1.111 730 I CB 1.347 39.261 38.000 -0.144 0.000 1.262 730 I HN 1.009 nan 8.210 nan 0.000 0.443 731 A N 7.591 130.289 122.820 -0.203 0.000 2.302 731 A HA 0.726 5.046 4.320 0.001 0.000 0.295 731 A C -0.302 177.067 177.584 -0.359 0.000 1.235 731 A CA -0.264 51.626 52.037 -0.246 0.000 0.876 731 A CB 0.012 18.901 19.000 -0.185 0.000 1.133 731 A HN 0.524 nan 8.150 nan 0.000 0.533 732 I N 1.429 121.664 120.570 -0.559 0.000 2.648 732 I HA 0.516 4.686 4.170 0.001 0.000 0.304 732 I C 0.089 175.809 176.117 -0.662 0.000 1.009 732 I CA -0.318 60.572 61.300 -0.684 0.000 1.114 732 I CB 1.892 39.309 38.000 -0.972 0.000 1.293 732 I HN 0.847 nan 8.210 nan 0.000 0.449 733 E N 4.681 124.617 120.200 -0.440 0.000 2.274 733 E HA 0.417 4.768 4.350 0.001 0.000 0.269 733 E C -1.988 174.488 176.600 -0.206 0.000 0.891 733 E CA -0.617 55.602 56.400 -0.302 0.000 0.784 733 E CB 1.761 31.334 29.700 -0.211 0.000 1.225 733 E HN 0.240 nan 8.360 nan 0.000 0.412 734 L N 2.894 124.010 121.223 -0.180 0.000 2.295 734 L HA 0.468 4.809 4.340 0.001 0.000 0.285 734 L C 0.589 177.397 176.870 -0.104 0.000 1.035 734 L CA -0.341 54.429 54.840 -0.116 0.000 0.806 734 L CB 1.363 43.353 42.059 -0.115 0.000 1.214 734 L HN 0.718 nan 8.230 nan 0.000 0.426 735 A N 4.745 127.526 122.820 -0.065 0.000 2.958 735 A HA 0.334 4.655 4.320 0.001 0.000 0.247 735 A C 0.369 177.924 177.584 -0.049 0.000 1.679 735 A CA -0.081 51.924 52.037 -0.052 0.000 1.345 735 A CB -0.966 18.015 19.000 -0.032 0.000 1.013 735 A HN 0.518 nan 8.150 nan 0.000 0.641 736 R N -0.437 120.022 120.500 -0.070 0.000 2.740 736 R HA 0.443 4.783 4.340 0.001 0.000 0.273 736 R C -0.938 175.322 176.300 -0.068 0.000 0.998 736 R CA -0.479 55.587 56.100 -0.057 0.000 0.900 736 R CB 1.615 31.885 30.300 -0.051 0.000 1.223 736 R HN 0.270 nan 8.270 nan 0.000 0.466 737 S N 0.566 116.244 115.700 -0.036 0.000 2.457 737 S HA 0.705 5.175 4.470 0.001 0.000 0.289 737 S C -0.523 174.076 174.600 -0.001 0.000 1.163 737 S CA -0.328 57.858 58.200 -0.024 0.000 1.078 737 S CB 0.741 63.937 63.200 -0.008 0.000 0.987 737 S HN 0.630 nan 8.310 nan 0.000 0.482 738 A N 3.776 126.602 122.820 0.010 0.000 2.313 738 A HA 0.748 5.068 4.320 0.001 0.000 0.323 738 A C 0.519 178.164 177.584 0.101 0.000 1.133 738 A CA -0.561 51.523 52.037 0.078 0.000 0.847 738 A CB 0.880 19.959 19.000 0.131 0.000 1.308 738 A HN 0.846 nan 8.150 nan 0.000 0.475 739 E N -0.251 120.027 120.200 0.130 0.000 2.391 739 E HA 0.252 4.603 4.350 0.001 0.000 0.206 739 E C 0.735 177.420 176.600 0.142 0.000 0.851 739 E CA 0.853 57.319 56.400 0.110 0.000 1.059 739 E CB 1.107 30.853 29.700 0.078 0.000 1.065 739 E HN 0.802 nan 8.360 nan 0.000 0.512 740 G N 0.471 109.384 108.800 0.189 0.000 2.645 740 G HA2 0.529 4.489 3.960 0.001 0.000 0.292 740 G HA3 0.529 4.489 3.960 0.001 0.000 0.292 740 G C -1.792 173.275 174.900 0.278 0.000 1.415 740 G CA -0.538 44.674 45.100 0.186 0.000 0.785 740 G HN 0.088 nan 8.290 nan 0.000 0.483 741 Y N -1.806 118.477 120.300 -0.029 0.000 2.741 741 Y HA 0.782 5.333 4.550 0.001 0.000 0.339 741 Y C -0.754 175.015 175.900 -0.217 0.000 1.226 741 Y CA -1.061 56.912 58.100 -0.213 0.000 1.072 741 Y CB 1.165 39.429 38.460 -0.325 0.000 1.331 741 Y HN 1.378 nan 8.280 nan 0.000 0.453 742 S N 1.576 117.064 115.700 -0.353 0.000 2.546 742 S HA 0.987 5.458 4.470 0.001 0.000 0.272 742 S C -1.383 173.115 174.600 -0.170 0.000 1.140 742 S CA -0.016 58.000 58.200 -0.306 0.000 0.920 742 S CB 1.475 64.550 63.200 -0.208 0.000 1.083 742 S HN 1.929 nan 8.310 nan 0.000 0.476 743 A N 2.127 124.907 122.820 -0.067 0.000 2.539 743 A HA 0.768 5.089 4.320 0.001 0.000 0.296 743 A C -1.147 176.438 177.584 0.001 0.000 1.073 743 A CA -0.830 51.161 52.037 -0.078 0.000 0.700 743 A CB 0.963 19.911 19.000 -0.086 0.000 1.296 743 A HN 0.777 nan 8.150 nan 0.000 0.405 744 D N 2.203 122.626 120.400 0.039 0.000 2.378 744 D HA 0.333 4.973 4.640 0.001 0.000 0.238 744 D C -2.082 174.290 176.300 0.120 0.000 1.180 744 D CA -0.377 53.681 54.000 0.096 0.000 0.895 744 D CB 0.295 41.187 40.800 0.153 0.000 1.192 744 D HN 0.323 nan 8.370 nan 0.000 0.438 745 P HA 0.161 nan 4.420 nan 0.000 0.271 745 P C 0.615 178.027 177.300 0.187 0.000 1.216 745 P CA -0.064 63.105 63.100 0.115 0.000 0.771 745 P CB 1.032 32.785 31.700 0.088 0.000 0.864 746 G N 2.282 111.156 108.800 0.123 0.000 2.229 746 G HA2 -0.141 3.819 3.960 0.001 0.000 0.189 746 G HA3 -0.141 3.819 3.960 0.001 0.000 0.189 746 G C -0.112 174.762 174.900 -0.044 0.000 1.000 746 G CA -0.456 44.691 45.100 0.078 0.000 0.663 746 G HN 0.490 nan 8.290 nan 0.000 0.493 747 I N 2.314 122.893 120.570 0.016 0.000 2.389 747 I HA 0.417 4.588 4.170 0.001 0.000 0.288 747 I C -0.372 175.755 176.117 0.017 0.000 0.999 747 I CA -0.553 60.743 61.300 -0.006 0.000 1.129 747 I CB 2.055 40.023 38.000 -0.053 0.000 1.288 747 I HN -0.013 nan 8.210 nan 0.000 0.444 748 T N 5.755 120.333 114.554 0.040 0.000 2.770 748 T HA 0.325 4.675 4.350 0.001 0.000 0.297 748 T C -0.023 174.703 174.700 0.042 0.000 0.997 748 T CA -0.403 61.718 62.100 0.035 0.000 0.949 748 T CB 1.264 70.148 68.868 0.028 0.000 0.941 748 T HN 0.137 nan 8.240 nan 0.000 0.457 749 V N 4.329 124.204 119.914 -0.064 0.000 2.530 749 V HA 0.281 4.401 4.120 0.001 0.000 0.282 749 V C 1.570 177.623 176.094 -0.068 0.000 1.048 749 V CA 0.027 62.256 62.300 -0.119 0.000 0.997 749 V CB 1.205 32.651 31.823 -0.629 0.000 0.987 749 V HN 1.112 nan 8.190 nan 0.000 0.477 750 T N 0.923 115.470 114.554 -0.013 0.000 3.003 750 T HA 0.257 4.608 4.350 0.001 0.000 0.261 750 T C 0.207 174.898 174.700 -0.015 0.000 1.003 750 T CA -0.072 62.021 62.100 -0.012 0.000 0.917 750 T CB 0.171 69.033 68.868 -0.009 0.000 1.084 750 T HN 0.601 nan 8.240 nan 0.000 0.522 751 Q N -0.115 119.672 119.800 -0.023 0.000 2.364 751 Q HA 0.411 4.752 4.340 0.001 0.000 0.257 751 Q C -1.090 174.894 176.000 -0.027 0.000 0.956 751 Q CA -0.646 55.145 55.803 -0.020 0.000 0.924 751 Q CB 1.562 30.283 28.738 -0.029 0.000 1.413 751 Q HN 0.076 nan 8.270 nan 0.000 0.418 752 L N 1.849 123.072 121.223 -0.000 0.000 2.357 752 L HA 0.610 4.951 4.340 0.001 0.000 0.211 752 L C 0.149 177.014 176.870 -0.008 0.000 1.075 752 L CA 1.374 56.222 54.840 0.013 0.000 0.830 752 L CB 0.715 42.830 42.059 0.093 0.000 0.996 752 L HN 0.662 nan 8.230 nan 0.000 0.467 753 A N -1.565 121.253 122.820 -0.004 0.000 2.498 753 A HA 0.689 5.010 4.320 0.001 0.000 0.298 753 A C -2.064 175.511 177.584 -0.015 0.000 1.075 753 A CA -0.749 51.282 52.037 -0.009 0.000 0.714 753 A CB 0.772 19.776 19.000 0.007 0.000 1.299 753 A HN -0.011 nan 8.150 nan 0.000 0.407 754 P HA 0.048 nan 4.420 nan 0.000 0.229 754 P C 0.468 177.746 177.300 -0.036 0.000 1.160 754 P CA 1.512 64.599 63.100 -0.022 0.000 0.777 754 P CB 0.127 31.815 31.700 -0.020 0.000 0.814 755 T N -3.146 111.378 114.554 -0.050 0.000 2.907 755 T HA 0.579 4.930 4.350 0.001 0.000 0.292 755 T C -0.255 174.385 174.700 -0.101 0.000 1.043 755 T CA -0.952 61.103 62.100 -0.075 0.000 1.003 755 T CB 1.298 70.121 68.868 -0.074 0.000 1.084 755 T HN -0.226 nan 8.240 nan 0.000 0.483 756 I N 2.069 122.545 120.570 -0.156 0.000 2.416 756 I HA 0.355 4.525 4.170 0.001 0.000 0.288 756 I C 0.427 176.450 176.117 -0.157 0.000 1.051 756 I CA -0.243 60.927 61.300 -0.216 0.000 1.375 756 I CB 0.692 38.409 38.000 -0.472 0.000 1.407 756 I HN 0.483 nan 8.210 nan 0.000 0.516 757 K N 7.372 127.723 120.400 -0.083 0.000 2.468 757 K HA 0.670 4.991 4.320 0.001 0.000 0.252 757 K C -1.243 175.386 176.600 0.049 0.000 0.932 757 K CA -0.612 55.613 56.287 -0.103 0.000 0.794 757 K CB 2.483 34.923 32.500 -0.100 0.000 1.241 757 K HN 0.489 nan 8.250 nan 0.000 0.428 758 F N -1.781 118.110 119.950 -0.097 0.000 2.713 758 F HA 0.557 5.084 4.527 0.001 0.000 0.311 758 F C -0.853 174.899 175.800 -0.080 0.000 1.141 758 F CA -1.004 56.951 58.000 -0.076 0.000 0.939 758 F CB 1.241 40.225 39.000 -0.026 0.000 1.325 758 F HN 0.394 nan 8.300 nan 0.000 0.453 759 T N -0.436 114.210 114.554 0.152 0.000 2.932 759 T HA 0.829 5.179 4.350 0.001 0.000 0.289 759 T C -1.266 173.482 174.700 0.080 0.000 1.039 759 T CA -0.917 61.194 62.100 0.019 0.000 1.024 759 T CB 1.829 70.679 68.868 -0.030 0.000 1.090 759 T HN 0.768 nan 8.240 nan 0.000 0.496 760 V N 2.123 122.006 119.914 -0.052 0.000 2.483 760 V HA 0.415 4.535 4.120 0.001 0.000 0.297 760 V C -0.411 175.506 176.094 -0.295 0.000 1.027 760 V CA -1.137 61.038 62.300 -0.207 0.000 0.855 760 V CB 1.633 33.305 31.823 -0.251 0.000 0.995 760 V HN 0.890 nan 8.190 nan 0.000 0.424 761 N N 3.210 121.708 118.700 -0.337 0.000 2.415 761 N HA 0.136 4.876 4.740 0.001 0.000 0.250 761 N C 0.652 175.986 175.510 -0.294 0.000 1.127 761 N CA 0.054 52.968 53.050 -0.226 0.000 0.945 761 N CB 1.852 40.271 38.487 -0.114 0.000 1.196 761 N HN 0.738 nan 8.380 nan 0.000 0.499 762 V N 0.086 119.886 119.914 -0.189 0.000 3.444 762 V HA 0.190 4.311 4.120 0.001 0.000 0.308 762 V C 0.665 176.773 176.094 0.023 0.000 1.371 762 V CA -0.711 61.549 62.300 -0.066 0.000 1.141 762 V CB -0.707 31.080 31.823 -0.061 0.000 1.037 762 V HN 0.311 nan 8.190 nan 0.000 0.433 763 N N 2.661 121.367 118.700 0.009 0.000 2.429 763 N HA 0.372 5.112 4.740 0.001 0.000 0.271 763 N C 1.328 176.871 175.510 0.056 0.000 1.272 763 N CA 1.446 54.510 53.050 0.024 0.000 0.921 763 N CB 0.245 38.741 38.487 0.014 0.000 1.128 763 N HN 0.741 nan 8.380 nan 0.000 0.481 764 G N 2.342 111.174 108.800 0.053 0.000 2.179 764 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 764 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 764 G C 0.915 175.868 174.900 0.089 0.000 1.010 764 G CA 0.527 45.664 45.100 0.062 0.000 0.736 764 G HN 0.909 nan 8.290 nan 0.000 0.513 765 A N -0.304 122.589 122.820 0.123 0.000 2.066 765 A HA 0.331 4.652 4.320 0.001 0.000 0.218 765 A C 1.850 179.488 177.584 0.089 0.000 1.157 765 A CA 1.867 54.014 52.037 0.182 0.000 0.670 765 A CB -0.198 19.014 19.000 0.354 0.000 0.804 765 A HN 1.084 nan 8.150 nan 0.000 0.453 766 K N -2.076 118.361 120.400 0.062 0.000 3.077 766 K HA -0.227 4.094 4.320 0.001 0.000 0.264 766 K C 0.856 177.462 176.600 0.010 0.000 1.008 766 K CA 1.019 57.327 56.287 0.035 0.000 0.740 766 K CB -2.508 30.021 32.500 0.049 0.000 1.273 766 K HN 1.660 nan 8.250 nan 0.000 0.477 767 G N -0.151 108.655 108.800 0.010 0.000 2.168 767 G HA2 -0.426 3.534 3.960 0.001 0.000 0.263 767 G HA3 -0.426 3.534 3.960 0.001 0.000 0.263 767 G C 0.234 175.126 174.900 -0.014 0.000 0.977 767 G CA 1.254 46.346 45.100 -0.014 0.000 0.659 767 G HN 0.697 nan 8.290 nan 0.000 0.533 768 K N -0.032 120.347 120.400 -0.034 0.000 2.149 768 K HA 0.601 4.921 4.320 0.001 0.000 0.245 768 K C -0.028 176.495 176.600 -0.128 0.000 1.024 768 K CA 0.092 56.297 56.287 -0.137 0.000 0.899 768 K CB 0.732 33.061 32.500 -0.286 0.000 1.038 768 K HN 0.067 nan 8.250 nan 0.000 0.496 769 S N 0.882 116.484 115.700 -0.163 0.000 2.462 769 S HA 0.440 4.910 4.470 0.001 0.000 0.294 769 S C -1.114 173.389 174.600 -0.161 0.000 1.144 769 S CA -0.732 57.454 58.200 -0.023 0.000 1.088 769 S CB 0.225 63.462 63.200 0.060 0.000 1.009 769 S HN 0.405 nan 8.310 nan 0.000 0.484 770 F N 2.662 122.669 119.950 0.095 0.000 2.420 770 F HA 0.377 4.905 4.527 0.001 0.000 0.342 770 F C 0.788 176.666 175.800 0.130 0.000 1.113 770 F CA -0.610 57.446 58.000 0.094 0.000 1.059 770 F CB 0.953 39.997 39.000 0.074 0.000 1.128 770 F HN 0.562 nan 8.300 nan 0.000 0.475 771 H N 1.803 120.957 119.070 0.139 0.000 2.616 771 H HA 0.881 5.438 4.556 0.001 0.000 0.353 771 H C -1.503 173.818 175.328 -0.011 0.000 1.170 771 H CA -0.825 55.266 56.048 0.072 0.000 1.212 771 H CB 1.966 31.752 29.762 0.040 0.000 1.653 771 H HN 0.774 nan 8.280 nan 0.000 0.537 772 A N 2.147 124.443 122.820 -0.873 0.000 2.555 772 A HA 0.411 4.731 4.320 0.001 0.000 0.297 772 A C -1.289 175.764 177.584 -0.885 0.000 1.060 772 A CA -0.381 51.201 52.037 -0.759 0.000 0.710 772 A CB 1.205 19.777 19.000 -0.714 0.000 1.282 772 A HN 0.704 nan 8.150 nan 0.000 0.399 773 S N 0.679 115.963 115.700 -0.694 0.000 2.532 773 S HA 0.883 5.353 4.470 0.001 0.000 0.299 773 S C -0.952 173.356 174.600 -0.487 0.000 1.105 773 S CA -0.527 57.435 58.200 -0.396 0.000 1.018 773 S CB 0.771 63.915 63.200 -0.095 0.000 1.021 773 S HN 0.540 nan 8.310 nan 0.000 0.483 774 F N 1.610 121.567 119.950 0.012 0.000 2.480 774 F HA 0.497 5.024 4.527 0.001 0.000 0.329 774 F C 0.418 176.248 175.800 0.051 0.000 1.091 774 F CA -0.850 57.184 58.000 0.056 0.000 0.972 774 F CB 1.904 40.934 39.000 0.050 0.000 1.150 774 F HN 0.676 nan 8.300 nan 0.000 0.467 775 Q N 3.165 123.098 119.800 0.222 0.000 2.278 775 Q HA 0.671 5.012 4.340 0.001 0.000 0.257 775 Q C -1.330 174.755 176.000 0.141 0.000 0.928 775 Q CA -0.628 55.259 55.803 0.139 0.000 0.932 775 Q CB 1.630 30.420 28.738 0.086 0.000 1.221 775 Q HN 0.661 nan 8.270 nan 0.000 0.434 776 L N 1.790 123.077 121.223 0.107 0.000 2.439 776 L HA 0.682 5.022 4.340 0.001 0.000 0.259 776 L C 0.703 177.608 176.870 0.058 0.000 1.129 776 L CA -0.767 54.120 54.840 0.079 0.000 0.803 776 L CB 0.848 42.944 42.059 0.062 0.000 1.161 776 L HN 0.884 nan 8.230 nan 0.000 0.462 777 G N 0.000 108.827 108.800 0.045 0.000 5.446 777 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 777 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 777 G CA 0.000 45.121 45.100 0.036 0.000 0.502 777 G HN 0.000 nan 8.290 nan 0.000 0.925