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 1gn9_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR DATA SEQUENCE LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA DATA SEQUENCE SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL DATA SEQUENCE KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK DATA SEQUENCE FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK DATA SEQUENCE QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG DATA SEQUENCE PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH DATA SEQUENCE AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGXD DATA SEQUENCE GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG DATA SEQUENCE QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL DATA SEQUENCE GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFF 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.601 174.600 0.002 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 2 N N 0.642 119.348 118.700 0.010 0.000 2.518 2 N HA 0.377 5.118 4.740 0.002 0.000 0.266 2 N C 1.097 176.619 175.510 0.020 0.000 1.196 2 N CA -0.008 53.064 53.050 0.036 0.000 0.947 2 N CB 0.676 39.217 38.487 0.091 0.000 1.098 2 N HN 0.692 nan 8.380 nan 0.000 0.450 3 A N 2.505 125.337 122.820 0.020 0.000 2.016 3 A HA 0.015 4.336 4.320 0.002 0.000 0.217 3 A C 0.717 178.306 177.584 0.009 0.000 1.162 3 A CA 1.076 53.118 52.037 0.009 0.000 0.662 3 A CB -0.311 18.695 19.000 0.009 0.000 0.812 3 A HN 0.818 nan 8.150 nan 0.000 0.450 4 M N -5.394 114.219 119.600 0.023 0.000 3.008 4 M HA 0.766 5.247 4.480 0.002 0.000 0.271 4 M C -1.853 174.496 176.300 0.082 0.000 1.265 4 M CA -0.768 54.545 55.300 0.022 0.000 0.817 4 M CB 1.755 34.349 32.600 -0.010 0.000 1.638 4 M HN 0.043 nan 8.290 nan 0.000 0.479 5 F N 1.132 121.009 119.950 -0.122 0.000 2.749 5 F HA 0.666 5.194 4.527 0.002 0.000 0.339 5 F C -2.000 173.677 175.800 -0.205 0.000 1.211 5 F CA -0.498 57.398 58.000 -0.174 0.000 1.099 5 F CB 1.634 40.491 39.000 -0.239 0.000 1.359 5 F HN 1.038 nan 8.300 nan 0.000 0.549 6 C N 7.146 126.054 119.300 -0.653 0.000 2.811 6 C HA 0.617 5.078 4.460 0.002 0.000 0.352 6 C C -0.835 173.986 174.990 -0.282 0.000 1.098 6 C CA -0.335 58.484 59.018 -0.331 0.000 1.295 6 C CB 0.831 28.466 27.740 -0.175 0.000 1.758 6 C HN 0.891 nan 8.230 nan 0.000 0.488 7 Y N 3.783 123.974 120.300 -0.182 0.000 2.810 7 Y HA 0.263 4.813 4.550 0.001 0.000 0.244 7 Y C 1.113 177.117 175.900 0.174 0.000 1.092 7 Y CA -0.440 57.649 58.100 -0.019 0.000 1.130 7 Y CB -0.468 38.037 38.460 0.074 0.000 1.219 7 Y HN 0.745 nan 8.280 nan 0.000 0.616 8 Q N 0.978 120.793 119.800 0.024 0.000 2.432 8 Q HA 0.140 4.481 4.340 0.002 0.000 0.205 8 Q C 0.781 176.689 176.000 -0.152 0.000 0.945 8 Q CA 0.514 55.984 55.803 -0.555 0.000 0.924 8 Q CB 0.371 28.281 28.738 -1.381 0.000 1.016 8 Q HN 0.512 nan 8.270 nan 0.000 0.503 9 C N -1.624 117.617 119.300 -0.097 0.000 2.595 9 C HA 0.356 4.817 4.460 0.002 0.000 0.338 9 C C 1.577 176.388 174.990 -0.297 0.000 1.219 9 C CA -0.766 58.079 59.018 -0.289 0.000 1.811 9 C CB 2.214 29.570 27.740 -0.641 0.000 2.313 9 C HN 0.421 nan 8.230 nan 0.000 0.499 10 Q N 0.747 120.020 119.800 -0.879 0.000 2.197 10 Q HA -0.186 4.155 4.340 0.002 0.000 0.207 10 Q C 1.506 177.382 176.000 -0.207 0.000 0.984 10 Q CA 2.204 57.528 55.803 -0.800 0.000 0.869 10 Q CB -0.082 27.960 28.738 -1.160 0.000 0.906 10 Q HN 0.936 nan 8.270 nan 0.000 0.426 11 E N 0.221 120.375 120.200 -0.078 0.000 2.494 11 E HA 0.020 4.371 4.350 0.002 0.000 0.193 11 E C -0.013 176.602 176.600 0.025 0.000 1.074 11 E CA -0.222 56.198 56.400 0.033 0.000 0.867 11 E CB 0.113 29.911 29.700 0.163 0.000 0.924 11 E HN 0.102 nan 8.360 nan 0.000 0.502 12 T N 1.242 115.802 114.554 0.011 0.000 2.866 12 T HA -0.051 4.300 4.350 0.002 0.000 0.293 12 T C 0.424 175.135 174.700 0.018 0.000 1.005 12 T CA -0.227 61.882 62.100 0.015 0.000 1.162 12 T CB 0.269 69.169 68.868 0.054 0.000 0.968 12 T HN -0.130 nan 8.240 nan 0.000 0.530 13 V N 5.902 125.816 119.914 -0.000 0.000 2.703 13 V HA 0.037 4.158 4.120 0.002 0.000 0.300 13 V C 1.787 177.893 176.094 0.020 0.000 1.063 13 V CA 1.254 63.558 62.300 0.006 0.000 1.240 13 V CB -0.617 31.201 31.823 -0.007 0.000 0.845 13 V HN 1.313 nan 8.190 nan 0.000 0.476 14 G N 5.068 113.884 108.800 0.026 0.000 2.258 14 G HA2 -0.371 3.590 3.960 0.002 0.000 0.274 14 G HA3 -0.371 3.590 3.960 0.002 0.000 0.274 14 G C 0.532 175.460 174.900 0.047 0.000 1.021 14 G CA 0.754 45.874 45.100 0.034 0.000 0.798 14 G HN 1.595 nan 8.290 nan 0.000 0.507 15 N N -1.236 117.494 118.700 0.050 0.000 2.708 15 N HA -0.197 4.544 4.740 0.002 0.000 0.251 15 N C 0.967 176.535 175.510 0.096 0.000 1.017 15 N CA 2.188 55.281 53.050 0.070 0.000 0.742 15 N CB -0.810 37.716 38.487 0.065 0.000 0.943 15 N HN 0.885 nan 8.380 nan 0.000 0.539 16 K N -1.197 119.264 120.400 0.103 0.000 2.585 16 K HA 0.336 4.657 4.320 0.002 0.000 0.210 16 K C 0.195 176.889 176.600 0.157 0.000 1.504 16 K CA 0.544 56.921 56.287 0.151 0.000 1.029 16 K CB 0.790 33.361 32.500 0.118 0.000 1.332 16 K HN 0.350 nan 8.250 nan 0.000 0.569 17 G N 0.590 109.399 108.800 0.014 0.000 2.351 17 G HA2 -0.034 3.927 3.960 0.002 0.000 0.472 17 G HA3 -0.034 3.927 3.960 0.002 0.000 0.472 17 G C -1.095 173.612 174.900 -0.321 0.000 1.570 17 G CA -1.038 43.907 45.100 -0.259 0.000 0.921 17 G HN 0.090 nan 8.290 nan 0.000 0.674 18 C N 2.386 121.460 119.300 -0.376 0.000 2.373 18 C HA 0.585 5.046 4.460 0.002 0.000 0.354 18 C C 1.987 176.803 174.990 -0.291 0.000 1.249 18 C CA 0.356 59.232 59.018 -0.237 0.000 1.784 18 C CB -0.289 27.361 27.740 -0.150 0.000 2.408 18 C HN 1.065 nan 8.230 nan 0.000 0.542 19 T N -0.395 114.079 114.554 -0.133 0.000 2.990 19 T HA -0.009 4.342 4.350 0.002 0.000 0.249 19 T C 1.314 176.015 174.700 0.001 0.000 1.039 19 T CA 0.599 62.684 62.100 -0.024 0.000 1.036 19 T CB 0.092 68.997 68.868 0.063 0.000 0.994 19 T HN 0.567 nan 8.240 nan 0.000 0.489 20 Q N 0.718 120.513 119.800 -0.008 0.000 2.580 20 Q HA 0.422 4.763 4.340 0.002 0.000 0.239 20 Q C -0.316 175.687 176.000 0.006 0.000 0.873 20 Q CA 0.602 56.408 55.803 0.005 0.000 0.951 20 Q CB 1.015 29.759 28.738 0.011 0.000 1.172 20 Q HN 0.343 nan 8.270 nan 0.000 0.616 21 V N 1.314 121.231 119.914 0.005 0.000 2.655 21 V HA 0.638 4.759 4.120 0.002 0.000 0.301 21 V C 0.006 176.114 176.094 0.023 0.000 1.082 21 V CA -0.789 61.525 62.300 0.023 0.000 0.899 21 V CB 1.292 33.137 31.823 0.037 0.000 1.014 21 V HN 0.356 nan 8.190 nan 0.000 0.429 22 G N 2.525 111.343 108.800 0.031 0.000 2.559 22 G HA2 0.302 4.263 3.960 0.002 0.000 0.235 22 G HA3 0.302 4.263 3.960 0.002 0.000 0.235 22 G C 1.043 175.989 174.900 0.077 0.000 1.266 22 G CA 0.025 45.147 45.100 0.036 0.000 0.847 22 G HN 0.652 nan 8.290 nan 0.000 0.583 23 V N 0.985 120.943 119.914 0.075 0.000 2.809 23 V HA -0.172 3.949 4.120 0.002 0.000 0.256 23 V C 2.807 179.003 176.094 0.169 0.000 1.080 23 V CA 1.704 64.066 62.300 0.103 0.000 1.102 23 V CB -0.659 31.219 31.823 0.091 0.000 0.705 23 V HN 1.006 nan 8.190 nan 0.000 0.475 24 C N -0.263 119.162 119.300 0.207 0.000 2.562 24 C HA 0.574 5.035 4.460 0.002 0.000 0.266 24 C C 1.990 177.206 174.990 0.376 0.000 1.382 24 C CA -0.008 59.199 59.018 0.314 0.000 1.742 24 C CB -0.720 27.206 27.740 0.310 0.000 1.812 24 C HN 0.778 nan 8.230 nan 0.000 0.559 25 G N 0.444 109.422 108.800 0.297 0.000 2.201 25 G HA2 -0.219 3.742 3.960 0.002 0.000 0.212 25 G HA3 -0.219 3.742 3.960 0.002 0.000 0.212 25 G C 0.060 175.195 174.900 0.391 0.000 0.994 25 G CA 0.156 45.429 45.100 0.289 0.000 0.644 25 G HN 0.745 nan 8.290 nan 0.000 0.508 26 K N 1.667 122.310 120.400 0.405 0.000 2.416 26 K HA 0.344 4.665 4.320 0.002 0.000 0.283 26 K C 0.700 177.389 176.600 0.147 0.000 1.037 26 K CA 0.036 56.483 56.287 0.267 0.000 0.995 26 K CB 0.221 32.746 32.500 0.041 0.000 0.938 26 K HN 0.300 nan 8.250 nan 0.000 0.475 27 K N 5.018 125.496 120.400 0.131 0.000 2.107 27 K HA 0.104 4.425 4.320 0.002 0.000 0.251 27 K C -1.611 175.010 176.600 0.034 0.000 1.012 27 K CA -1.805 54.525 56.287 0.072 0.000 0.920 27 K CB 0.671 33.207 32.500 0.061 0.000 1.033 27 K HN 0.445 nan 8.250 nan 0.000 0.478 28 P HA -0.196 nan 4.420 nan 0.000 0.218 28 P C 0.518 177.819 177.300 0.002 0.000 1.148 28 P CA 1.583 64.686 63.100 0.007 0.000 0.822 28 P CB 0.273 31.977 31.700 0.007 0.000 0.784 29 E N -0.793 119.411 120.200 0.006 0.000 2.152 29 E HA -0.062 4.289 4.350 0.002 0.000 0.192 29 E C 1.883 178.482 176.600 -0.001 0.000 0.983 29 E CA 1.160 57.561 56.400 0.002 0.000 0.818 29 E CB -0.336 29.366 29.700 0.003 0.000 0.758 29 E HN 0.252 nan 8.360 nan 0.000 0.467 30 T N 0.526 115.080 114.554 0.000 0.000 2.904 30 T HA -0.073 4.278 4.350 0.002 0.000 0.267 30 T C 1.902 176.587 174.700 -0.024 0.000 1.059 30 T CA 0.973 63.067 62.100 -0.011 0.000 1.137 30 T CB -0.034 68.834 68.868 -0.000 0.000 0.879 30 T HN 0.184 nan 8.240 nan 0.000 0.467 31 A N 1.234 124.042 122.820 -0.020 0.000 1.968 31 A HA 0.338 4.658 4.320 0.002 0.000 0.217 31 A C 2.562 180.135 177.584 -0.019 0.000 1.169 31 A CA 1.423 53.442 52.037 -0.029 0.000 0.638 31 A CB -0.797 18.185 19.000 -0.031 0.000 0.812 31 A HN 0.484 nan 8.150 nan 0.000 0.446 32 A N -0.262 122.549 122.820 -0.014 0.000 1.929 32 A HA 0.096 4.417 4.320 0.002 0.000 0.216 32 A C 2.081 179.666 177.584 0.002 0.000 1.176 32 A CA 1.176 53.203 52.037 -0.016 0.000 0.628 32 A CB -0.468 18.523 19.000 -0.016 0.000 0.816 32 A HN 0.445 nan 8.150 nan 0.000 0.444 33 L N -1.010 120.220 121.223 0.013 0.000 2.093 33 L HA -0.197 4.144 4.340 0.002 0.000 0.208 33 L C 2.804 179.699 176.870 0.043 0.000 1.085 33 L CA 1.256 56.117 54.840 0.035 0.000 0.755 33 L CB -0.475 41.599 42.059 0.024 0.000 0.904 33 L HN 0.469 nan 8.230 nan 0.000 0.435 34 Q N -0.272 119.542 119.800 0.022 0.000 2.123 34 Q HA -0.186 4.155 4.340 0.002 0.000 0.199 34 Q C 1.701 177.746 176.000 0.075 0.000 0.966 34 Q CA 1.315 57.139 55.803 0.036 0.000 0.845 34 Q CB 0.075 28.815 28.738 0.003 0.000 0.907 34 Q HN 0.421 nan 8.270 nan 0.000 0.439 35 D N 0.213 120.645 120.400 0.053 0.000 2.144 35 D HA -0.102 4.539 4.640 0.002 0.000 0.200 35 D C 1.648 177.995 176.300 0.078 0.000 0.978 35 D CA 1.185 55.227 54.000 0.069 0.000 0.833 35 D CB -0.106 40.693 40.800 -0.002 0.000 0.961 35 D HN 0.250 nan 8.370 nan 0.000 0.470 36 A N 0.450 123.301 122.820 0.053 0.000 1.898 36 A HA -0.114 4.207 4.320 0.002 0.000 0.216 36 A C 2.108 179.824 177.584 0.221 0.000 1.181 36 A CA 0.903 52.992 52.037 0.087 0.000 0.620 36 A CB -0.675 18.400 19.000 0.125 0.000 0.819 36 A HN 0.249 nan 8.150 nan 0.000 0.442 37 L N -0.138 121.188 121.223 0.171 0.000 2.046 37 L HA -0.102 4.239 4.340 0.002 0.000 0.208 37 L C 2.097 179.060 176.870 0.154 0.000 1.077 37 L CA 1.578 56.512 54.840 0.157 0.000 0.747 37 L CB -0.354 41.768 42.059 0.104 0.000 0.896 37 L HN 0.328 nan 8.230 nan 0.000 0.432 38 I N -1.100 119.571 120.570 0.168 0.000 2.286 38 I HA -0.310 3.861 4.170 0.002 0.000 0.248 38 I C 2.469 178.687 176.117 0.169 0.000 1.115 38 I CA 1.425 62.824 61.300 0.166 0.000 1.392 38 I CB -1.246 36.906 38.000 0.252 0.000 1.065 38 I HN 0.391 nan 8.210 nan 0.000 0.418 39 Y N 2.374 122.712 120.300 0.063 0.000 2.145 39 Y HA -0.215 4.336 4.550 0.001 0.000 0.286 39 Y C 2.456 178.384 175.900 0.047 0.000 1.145 39 Y CA 2.173 60.289 58.100 0.027 0.000 1.148 39 Y CB -0.428 38.015 38.460 -0.029 0.000 0.981 39 Y HN 0.049 nan 8.280 nan 0.000 0.507 40 V N -3.560 116.410 119.914 0.093 0.000 3.217 40 V HA -0.069 4.052 4.120 0.002 0.000 0.264 40 V C 1.738 177.816 176.094 -0.027 0.000 1.135 40 V CA 1.808 64.111 62.300 0.005 0.000 1.142 40 V CB -1.149 30.780 31.823 0.176 0.000 0.754 40 V HN 0.390 nan 8.190 nan 0.000 0.484 41 T N 0.151 114.703 114.554 -0.004 0.000 2.985 41 T HA 0.018 4.369 4.350 0.002 0.000 0.266 41 T C 1.785 176.440 174.700 -0.075 0.000 1.076 41 T CA 1.330 63.414 62.100 -0.027 0.000 1.135 41 T CB -0.113 68.753 68.868 -0.003 0.000 0.890 41 T HN 0.551 nan 8.240 nan 0.000 0.480 42 K N 0.664 121.003 120.400 -0.101 0.000 2.186 42 K HA 0.106 4.426 4.320 0.002 0.000 0.202 42 K C 2.599 179.105 176.600 -0.156 0.000 1.052 42 K CA 0.764 56.967 56.287 -0.140 0.000 0.965 42 K CB -0.192 32.219 32.500 -0.149 0.000 0.746 42 K HN 0.296 nan 8.250 nan 0.000 0.457 43 G N 1.514 110.201 108.800 -0.189 0.000 2.422 43 G HA2 -0.217 3.744 3.960 0.002 0.000 0.218 43 G HA3 -0.217 3.744 3.960 0.002 0.000 0.218 43 G C 1.409 176.239 174.900 -0.115 0.000 1.140 43 G CA 0.377 45.370 45.100 -0.178 0.000 0.775 43 G HN 0.115 nan 8.290 nan 0.000 0.545 44 L N 1.414 122.579 121.223 -0.097 0.000 2.109 44 L HA 0.256 4.597 4.340 0.002 0.000 0.207 44 L C 2.750 179.570 176.870 -0.083 0.000 1.086 44 L CA 2.054 56.849 54.840 -0.075 0.000 0.760 44 L CB -0.908 41.115 42.059 -0.060 0.000 0.910 44 L HN 0.138 nan 8.230 nan 0.000 0.437 45 G N -1.146 107.594 108.800 -0.100 0.000 2.422 45 G HA2 -0.330 3.631 3.960 0.002 0.000 0.218 45 G HA3 -0.330 3.631 3.960 0.002 0.000 0.218 45 G C 1.451 176.285 174.900 -0.110 0.000 1.146 45 G CA 0.809 45.841 45.100 -0.114 0.000 0.769 45 G HN 0.561 nan 8.290 nan 0.000 0.547 46 Q N 0.021 119.756 119.800 -0.108 0.000 1.990 46 Q HA -0.063 4.278 4.340 0.002 0.000 0.200 46 Q C 2.551 178.507 176.000 -0.074 0.000 0.980 46 Q CA 1.276 57.023 55.803 -0.094 0.000 0.832 46 Q CB -0.291 28.391 28.738 -0.094 0.000 0.897 46 Q HN 0.488 nan 8.270 nan 0.000 0.427 47 I N 1.215 121.743 120.570 -0.069 0.000 2.151 47 I HA -0.326 3.845 4.170 0.002 0.000 0.243 47 I C 2.567 178.654 176.117 -0.049 0.000 1.080 47 I CA 1.237 62.505 61.300 -0.054 0.000 1.339 47 I CB -0.541 37.429 38.000 -0.051 0.000 1.039 47 I HN 0.385 nan 8.210 nan 0.000 0.409 48 A N 0.150 122.937 122.820 -0.055 0.000 1.902 48 A HA -0.202 4.119 4.320 0.002 0.000 0.217 48 A C 2.372 179.928 177.584 -0.048 0.000 1.181 48 A CA 2.432 54.440 52.037 -0.048 0.000 0.623 48 A CB -1.052 17.916 19.000 -0.054 0.000 0.818 48 A HN 0.403 nan 8.150 nan 0.000 0.443 49 T N -0.427 114.091 114.554 -0.061 0.000 2.746 49 T HA -0.128 4.223 4.350 0.002 0.000 0.267 49 T C 2.053 176.727 174.700 -0.043 0.000 1.039 49 T CA 1.566 63.630 62.100 -0.060 0.000 1.142 49 T CB -0.221 68.599 68.868 -0.080 0.000 0.866 49 T HN 0.510 nan 8.240 nan 0.000 0.444 50 R N 0.305 120.779 120.500 -0.042 0.000 2.115 50 R HA 0.100 4.441 4.340 0.002 0.000 0.230 50 R C 2.402 178.687 176.300 -0.024 0.000 1.111 50 R CA 0.786 56.867 56.100 -0.032 0.000 0.976 50 R CB -0.402 29.878 30.300 -0.033 0.000 0.870 50 R HN 0.358 nan 8.270 nan 0.000 0.445 51 L N 0.186 121.394 121.223 -0.025 0.000 2.027 51 L HA -0.166 4.174 4.340 0.002 0.000 0.206 51 L C 2.509 179.371 176.870 -0.013 0.000 1.074 51 L CA 1.427 56.256 54.840 -0.018 0.000 0.745 51 L CB -0.316 41.732 42.059 -0.018 0.000 0.898 51 L HN 0.147 nan 8.230 nan 0.000 0.433 52 R N -0.026 120.465 120.500 -0.014 0.000 2.105 52 R HA -0.144 4.197 4.340 0.002 0.000 0.239 52 R C 2.195 178.492 176.300 -0.005 0.000 1.135 52 R CA 1.297 57.392 56.100 -0.007 0.000 0.967 52 R CB -0.533 29.762 30.300 -0.008 0.000 0.861 52 R HN 0.336 nan 8.270 nan 0.000 0.442 53 A N 1.855 124.668 122.820 -0.010 0.000 2.216 53 A HA -0.145 4.176 4.320 0.002 0.000 0.214 53 A C 1.323 178.904 177.584 -0.006 0.000 1.160 53 A CA 1.138 53.171 52.037 -0.008 0.000 0.725 53 A CB -0.272 18.720 19.000 -0.013 0.000 0.784 53 A HN 0.563 nan 8.150 nan 0.000 0.472 54 E N -2.307 117.890 120.200 -0.006 0.000 2.734 54 E HA 0.421 4.772 4.350 0.002 0.000 0.211 54 E C 0.859 177.458 176.600 -0.002 0.000 0.991 54 E CA 0.229 56.626 56.400 -0.005 0.000 1.065 54 E CB -0.302 29.394 29.700 -0.007 0.000 1.047 54 E HN 0.573 nan 8.360 nan 0.000 0.470 55 G N 1.634 110.434 108.800 -0.000 0.000 2.267 55 G HA2 -0.355 3.605 3.960 0.002 0.000 0.257 55 G HA3 -0.355 3.605 3.960 0.002 0.000 0.257 55 G C 0.276 175.178 174.900 0.002 0.000 0.998 55 G CA 0.473 45.575 45.100 0.002 0.000 0.620 55 G HN 0.287 nan 8.290 nan 0.000 0.529 56 K N 1.279 121.679 120.400 -0.000 0.000 2.355 56 K HA 0.593 4.914 4.320 0.002 0.000 0.270 56 K C 0.938 177.539 176.600 0.002 0.000 1.003 56 K CA 0.187 56.473 56.287 -0.000 0.000 0.957 56 K CB 0.924 33.421 32.500 -0.004 0.000 0.939 56 K HN 0.553 nan 8.250 nan 0.000 0.482 57 A N 1.845 124.667 122.820 0.004 0.000 2.272 57 A HA 0.461 4.782 4.320 0.002 0.000 0.275 57 A C -0.640 176.947 177.584 0.005 0.000 1.096 57 A CA -0.523 51.519 52.037 0.008 0.000 0.822 57 A CB 0.758 19.765 19.000 0.012 0.000 1.088 57 A HN 0.412 nan 8.150 nan 0.000 0.495 58 V N 1.617 121.537 119.914 0.010 0.000 2.567 58 V HA 0.181 4.301 4.120 0.002 0.000 0.298 58 V C -0.643 175.461 176.094 0.017 0.000 1.047 58 V CA -0.842 61.461 62.300 0.005 0.000 0.880 58 V CB 1.658 33.479 31.823 -0.002 0.000 1.009 58 V HN 0.995 nan 8.190 nan 0.000 0.429 59 D N 2.151 122.558 120.400 0.012 0.000 2.571 59 D HA -0.082 4.558 4.640 0.002 0.000 0.231 59 D C 1.023 177.342 176.300 0.033 0.000 1.133 59 D CA 0.570 54.584 54.000 0.023 0.000 0.862 59 D CB 0.886 41.689 40.800 0.004 0.000 1.179 59 D HN 0.758 nan 8.370 nan 0.000 0.474 60 H N 3.834 122.866 119.070 -0.064 0.000 2.518 60 H HA -0.101 4.456 4.556 0.001 0.000 0.289 60 H C 1.972 177.241 175.328 -0.099 0.000 1.051 60 H CA 1.651 57.628 56.048 -0.118 0.000 1.280 60 H CB 0.261 29.903 29.762 -0.200 0.000 1.380 60 H HN 0.467 nan 8.280 nan 0.000 0.566 61 R N -0.122 120.278 120.500 -0.166 0.000 2.189 61 R HA -0.063 4.278 4.340 0.002 0.000 0.223 61 R C 1.326 177.521 176.300 -0.175 0.000 1.092 61 R CA 1.407 57.390 56.100 -0.194 0.000 0.989 61 R CB -0.275 29.971 30.300 -0.089 0.000 0.876 61 R HN 0.275 nan 8.270 nan 0.000 0.457 62 I N 2.305 122.798 120.570 -0.128 0.000 2.439 62 I HA -0.153 4.018 4.170 0.002 0.000 0.251 62 I C 1.292 177.341 176.117 -0.113 0.000 1.139 62 I CA 1.175 62.419 61.300 -0.094 0.000 1.438 62 I CB -0.881 37.084 38.000 -0.057 0.000 1.085 62 I HN 0.183 nan 8.210 nan 0.000 0.427 63 D N 1.185 121.491 120.400 -0.158 0.000 2.097 63 D HA -0.137 4.504 4.640 0.002 0.000 0.197 63 D C 2.231 178.432 176.300 -0.166 0.000 0.984 63 D CA 1.033 54.954 54.000 -0.132 0.000 0.826 63 D CB -0.262 40.504 40.800 -0.057 0.000 0.973 63 D HN 0.341 nan 8.370 nan 0.000 0.460 64 R N 0.137 120.461 120.500 -0.293 0.000 2.152 64 R HA -0.067 4.274 4.340 0.002 0.000 0.232 64 R C 2.227 178.468 176.300 -0.098 0.000 1.117 64 R CA 0.295 56.280 56.100 -0.192 0.000 0.981 64 R CB -0.240 29.916 30.300 -0.240 0.000 0.870 64 R HN 0.127 nan 8.270 nan 0.000 0.451 65 L N 0.329 121.493 121.223 -0.098 0.000 2.109 65 L HA -0.076 4.265 4.340 0.002 0.000 0.207 65 L C 1.940 178.788 176.870 -0.036 0.000 1.086 65 L CA 1.405 56.211 54.840 -0.057 0.000 0.760 65 L CB -0.010 42.015 42.059 -0.057 0.000 0.910 65 L HN -0.127 nan 8.230 nan 0.000 0.437 66 V N -0.526 119.360 119.914 -0.047 0.000 2.407 66 V HA -0.213 3.907 4.120 0.002 0.000 0.245 66 V C 2.652 178.738 176.094 -0.015 0.000 1.041 66 V CA 1.885 64.164 62.300 -0.035 0.000 1.040 66 V CB -1.022 30.770 31.823 -0.053 0.000 0.671 66 V HN 0.714 nan 8.190 nan 0.000 0.455 67 T N -1.348 113.199 114.554 -0.012 0.000 2.821 67 T HA -0.070 4.281 4.350 0.002 0.000 0.267 67 T C 1.985 176.730 174.700 0.075 0.000 1.046 67 T CA 1.444 63.554 62.100 0.017 0.000 1.139 67 T CB -0.756 68.124 68.868 0.019 0.000 0.871 67 T HN 0.446 nan 8.240 nan 0.000 0.454 68 G N 1.441 110.275 108.800 0.056 0.000 2.422 68 G HA2 -0.179 3.781 3.960 0.002 0.000 0.218 68 G HA3 -0.179 3.781 3.960 0.002 0.000 0.218 68 G C 1.655 176.602 174.900 0.078 0.000 1.140 68 G CA 0.615 45.761 45.100 0.076 0.000 0.775 68 G HN 0.469 nan 8.290 nan 0.000 0.545 69 N N 0.429 119.159 118.700 0.050 0.000 2.080 69 N HA -0.009 4.732 4.740 0.002 0.000 0.189 69 N C 2.276 177.830 175.510 0.073 0.000 1.036 69 N CA 0.727 53.806 53.050 0.048 0.000 0.846 69 N CB -0.410 38.095 38.487 0.029 0.000 1.015 69 N HN 0.274 nan 8.380 nan 0.000 0.423 70 L N -0.631 120.633 121.223 0.069 0.000 2.046 70 L HA -0.129 4.212 4.340 0.002 0.000 0.208 70 L C 2.149 179.099 176.870 0.132 0.000 1.077 70 L CA 1.032 55.915 54.840 0.071 0.000 0.747 70 L CB -0.474 41.596 42.059 0.017 0.000 0.896 70 L HN 0.190 nan 8.230 nan 0.000 0.432 71 F N 0.553 120.488 119.950 -0.025 0.000 2.134 71 F HA -0.279 4.249 4.527 0.001 0.000 0.299 71 F C 2.530 178.316 175.800 -0.023 0.000 1.097 71 F CA 0.733 58.714 58.000 -0.031 0.000 1.264 71 F CB 0.063 39.041 39.000 -0.037 0.000 1.001 71 F HN 0.075 nan 8.300 nan 0.000 0.479 72 A N -0.424 122.505 122.820 0.181 0.000 2.131 72 A HA -0.220 4.101 4.320 0.002 0.000 0.220 72 A C 1.823 179.425 177.584 0.030 0.000 1.158 72 A CA 1.942 54.008 52.037 0.048 0.000 0.665 72 A CB -1.215 17.796 19.000 0.018 0.000 0.795 72 A HN 0.499 nan 8.150 nan 0.000 0.460 73 T N -2.817 111.776 114.554 0.064 0.000 3.086 73 T HA 0.414 4.765 4.350 0.002 0.000 0.250 73 T C 0.555 175.257 174.700 0.002 0.000 1.074 73 T CA -0.296 61.818 62.100 0.025 0.000 0.988 73 T CB -0.420 68.489 68.868 0.069 0.000 0.988 73 T HN 0.269 nan 8.240 nan 0.000 0.530 74 I N 2.811 123.413 120.570 0.052 0.000 2.696 74 I HA 0.098 4.269 4.170 0.002 0.000 0.284 74 I C 0.482 176.570 176.117 -0.049 0.000 1.129 74 I CA -0.459 60.855 61.300 0.023 0.000 1.410 74 I CB 0.800 38.900 38.000 0.166 0.000 1.399 74 I HN 0.108 nan 8.210 nan 0.000 0.579 75 T N 6.159 120.642 114.554 -0.117 0.000 2.871 75 T HA -0.041 4.310 4.350 0.002 0.000 0.296 75 T C 0.604 175.273 174.700 -0.052 0.000 0.998 75 T CA 0.234 62.247 62.100 -0.144 0.000 1.162 75 T CB -0.177 68.527 68.868 -0.273 0.000 0.947 75 T HN 0.710 nan 8.240 nan 0.000 0.536 76 N N 0.058 118.747 118.700 -0.018 0.000 2.782 76 N HA -0.216 4.525 4.740 0.002 0.000 0.251 76 N C 0.792 176.425 175.510 0.206 0.000 1.101 76 N CA 0.932 54.111 53.050 0.216 0.000 0.764 76 N CB -1.415 37.166 38.487 0.157 0.000 1.122 76 N HN 0.751 nan 8.380 nan 0.000 0.561 77 A N -0.327 122.504 122.820 0.018 0.000 1.881 77 A HA 0.149 4.470 4.320 0.002 0.000 0.210 77 A C 0.894 178.516 177.584 0.064 0.000 1.239 77 A CA 0.967 53.026 52.037 0.037 0.000 0.629 77 A CB 0.354 19.352 19.000 -0.003 0.000 0.906 77 A HN 0.247 nan 8.150 nan 0.000 0.460 78 N N -1.256 117.392 118.700 -0.086 0.000 2.454 78 N HA 0.454 5.195 4.740 0.002 0.000 0.291 78 N C -1.703 173.713 175.510 -0.156 0.000 1.079 78 N CA -0.353 52.699 53.050 0.003 0.000 0.893 78 N CB 1.359 39.835 38.487 -0.018 0.000 1.512 78 N HN 0.072 nan 8.380 nan 0.000 0.497 79 F N -0.050 119.929 119.950 0.048 0.000 2.698 79 F HA 0.245 4.772 4.527 0.001 0.000 0.304 79 F C 0.730 176.408 175.800 -0.203 0.000 1.108 79 F CA -0.615 57.357 58.000 -0.048 0.000 1.263 79 F CB 0.461 39.460 39.000 -0.002 0.000 1.013 79 F HN 0.272 nan 8.300 nan 0.000 0.532 80 D N 0.984 121.389 120.400 0.008 0.000 2.428 80 D HA 0.057 4.698 4.640 0.002 0.000 0.221 80 D C 0.681 176.946 176.300 -0.058 0.000 1.123 80 D CA 0.128 54.085 54.000 -0.072 0.000 0.869 80 D CB 0.870 41.640 40.800 -0.050 0.000 1.032 80 D HN 0.061 nan 8.370 nan 0.000 0.506 81 D N 2.525 122.886 120.400 -0.064 0.000 2.104 81 D HA -0.168 4.473 4.640 0.002 0.000 0.194 81 D C 1.201 177.481 176.300 -0.033 0.000 0.994 81 D CA 0.936 54.911 54.000 -0.040 0.000 0.830 81 D CB 0.238 41.016 40.800 -0.037 0.000 0.959 81 D HN 0.537 nan 8.370 nan 0.000 0.452 82 D N 0.183 120.558 120.400 -0.042 0.000 2.149 82 D HA -0.116 4.525 4.640 0.002 0.000 0.198 82 D C 2.107 178.385 176.300 -0.038 0.000 0.990 82 D CA 0.484 54.463 54.000 -0.035 0.000 0.839 82 D CB 0.088 40.866 40.800 -0.037 0.000 0.948 82 D HN 0.174 nan 8.370 nan 0.000 0.460 83 I N 0.834 121.372 120.570 -0.052 0.000 2.286 83 I HA -0.156 4.015 4.170 0.002 0.000 0.245 83 I C 2.582 178.675 176.117 -0.041 0.000 1.104 83 I CA 0.591 61.853 61.300 -0.063 0.000 1.397 83 I CB -0.966 36.974 38.000 -0.101 0.000 1.072 83 I HN 0.037 nan 8.210 nan 0.000 0.417 84 L N 0.721 121.926 121.223 -0.030 0.000 2.083 84 L HA -0.159 4.182 4.340 0.002 0.000 0.209 84 L C 2.815 179.690 176.870 0.008 0.000 1.083 84 L CA 1.273 56.106 54.840 -0.010 0.000 0.752 84 L CB -0.686 41.367 42.059 -0.009 0.000 0.899 84 L HN 0.169 nan 8.230 nan 0.000 0.433 85 A N -0.062 122.760 122.820 0.004 0.000 1.908 85 A HA -0.263 4.058 4.320 0.002 0.000 0.218 85 A C 2.201 179.790 177.584 0.008 0.000 1.181 85 A CA 1.984 54.031 52.037 0.017 0.000 0.627 85 A CB -0.453 18.552 19.000 0.008 0.000 0.818 85 A HN 0.377 nan 8.150 nan 0.000 0.445 86 E N 0.217 120.413 120.200 -0.008 0.000 2.072 86 E HA -0.131 4.220 4.350 0.002 0.000 0.191 86 E C 2.129 178.724 176.600 -0.009 0.000 0.985 86 E CA 1.315 57.707 56.400 -0.014 0.000 0.801 86 E CB -0.274 29.411 29.700 -0.025 0.000 0.750 86 E HN 0.589 nan 8.360 nan 0.000 0.452 87 R N -0.411 120.086 120.500 -0.004 0.000 2.152 87 R HA -0.060 4.281 4.340 0.002 0.000 0.232 87 R C 2.262 178.572 176.300 0.018 0.000 1.117 87 R CA 1.108 57.210 56.100 0.003 0.000 0.981 87 R CB -0.228 30.075 30.300 0.006 0.000 0.870 87 R HN 0.127 nan 8.270 nan 0.000 0.451 88 V N 0.943 120.877 119.914 0.034 0.000 2.548 88 V HA -0.204 3.917 4.120 0.002 0.000 0.249 88 V C 2.245 178.348 176.094 0.015 0.000 1.055 88 V CA 1.619 63.955 62.300 0.061 0.000 1.065 88 V CB -0.376 31.510 31.823 0.105 0.000 0.681 88 V HN 0.310 nan 8.190 nan 0.000 0.462 89 R N -0.587 119.907 120.500 -0.010 0.000 2.062 89 R HA -0.019 4.322 4.340 0.002 0.000 0.229 89 R C 2.347 178.625 176.300 -0.036 0.000 1.128 89 R CA 1.389 57.465 56.100 -0.040 0.000 0.960 89 R CB -0.390 29.886 30.300 -0.040 0.000 0.855 89 R HN 0.396 nan 8.270 nan 0.000 0.432 90 M N 0.287 119.873 119.600 -0.024 0.000 2.108 90 M HA -0.161 4.320 4.480 0.002 0.000 0.261 90 M C 2.059 178.344 176.300 -0.025 0.000 1.066 90 M CA 1.805 57.090 55.300 -0.024 0.000 1.107 90 M CB -0.468 32.120 32.600 -0.020 0.000 1.356 90 M HN 0.154 nan 8.290 nan 0.000 0.406 91 T N -0.412 114.133 114.554 -0.014 0.000 2.821 91 T HA -0.123 4.227 4.350 0.002 0.000 0.267 91 T C 1.853 176.541 174.700 -0.020 0.000 1.046 91 T CA 1.185 63.279 62.100 -0.010 0.000 1.139 91 T CB -0.438 68.439 68.868 0.015 0.000 0.871 91 T HN 0.464 nan 8.240 nan 0.000 0.454 92 C N 1.447 120.728 119.300 -0.031 0.000 2.450 92 C HA 0.244 4.705 4.460 0.002 0.000 0.279 92 C C 3.165 178.116 174.990 -0.065 0.000 1.335 92 C CA 0.193 59.174 59.018 -0.062 0.000 1.749 92 C CB -1.321 26.344 27.740 -0.125 0.000 1.963 92 C HN 0.654 nan 8.230 nan 0.000 0.501 93 A N 0.580 123.366 122.820 -0.056 0.000 1.872 93 A HA 0.155 4.476 4.320 0.002 0.000 0.214 93 A C 2.377 179.936 177.584 -0.042 0.000 1.187 93 A CA 1.796 53.803 52.037 -0.051 0.000 0.614 93 A CB -0.980 17.993 19.000 -0.044 0.000 0.826 93 A HN 0.512 nan 8.150 nan 0.000 0.442 94 A N 1.059 123.856 122.820 -0.038 0.000 1.908 94 A HA -0.209 4.112 4.320 0.002 0.000 0.218 94 A C 2.107 179.668 177.584 -0.037 0.000 1.181 94 A CA 2.110 54.125 52.037 -0.036 0.000 0.627 94 A CB -0.556 18.422 19.000 -0.036 0.000 0.818 94 A HN 0.712 nan 8.150 nan 0.000 0.445 95 K N -0.380 119.996 120.400 -0.039 0.000 2.296 95 K HA -0.021 4.300 4.320 0.002 0.000 0.200 95 K C 1.831 178.407 176.600 -0.039 0.000 1.048 95 K CA 1.454 57.717 56.287 -0.040 0.000 0.966 95 K CB -0.155 32.320 32.500 -0.043 0.000 0.754 95 K HN 0.388 nan 8.250 nan 0.000 0.466 96 K N 1.375 121.750 120.400 -0.042 0.000 2.296 96 K HA -0.096 4.225 4.320 0.002 0.000 0.200 96 K C 1.939 178.518 176.600 -0.034 0.000 1.048 96 K CA 0.830 57.093 56.287 -0.041 0.000 0.966 96 K CB 0.216 32.686 32.500 -0.050 0.000 0.754 96 K HN 0.328 nan 8.250 nan 0.000 0.466 97 E N 0.458 120.638 120.200 -0.033 0.000 2.086 97 E HA -0.093 4.257 4.350 0.002 0.000 0.190 97 E C 1.938 178.522 176.600 -0.026 0.000 0.975 97 E CA 0.391 56.774 56.400 -0.028 0.000 0.813 97 E CB 0.119 29.802 29.700 -0.028 0.000 0.768 97 E HN 0.262 nan 8.360 nan 0.000 0.457 98 L N 0.660 121.866 121.223 -0.028 0.000 2.027 98 L HA -0.116 4.225 4.340 0.002 0.000 0.206 98 L C 2.746 179.601 176.870 -0.025 0.000 1.074 98 L CA 1.023 55.847 54.840 -0.026 0.000 0.745 98 L CB -0.559 41.481 42.059 -0.030 0.000 0.898 98 L HN 0.214 nan 8.230 nan 0.000 0.433 99 A N 0.343 123.146 122.820 -0.028 0.000 1.927 99 A HA -0.309 4.011 4.320 0.002 0.000 0.220 99 A C 2.475 180.046 177.584 -0.021 0.000 1.185 99 A CA 2.010 54.031 52.037 -0.026 0.000 0.639 99 A CB -0.814 18.170 19.000 -0.027 0.000 0.820 99 A HN 0.461 nan 8.150 nan 0.000 0.451 100 A N -0.948 121.859 122.820 -0.021 0.000 2.084 100 A HA -0.085 4.236 4.320 0.002 0.000 0.221 100 A C 2.238 179.813 177.584 -0.015 0.000 1.161 100 A CA 1.981 54.008 52.037 -0.018 0.000 0.653 100 A CB -0.656 18.334 19.000 -0.018 0.000 0.802 100 A HN 0.458 nan 8.150 nan 0.000 0.457 101 S N -0.861 114.830 115.700 -0.016 0.000 2.562 101 S HA 0.224 4.695 4.470 0.002 0.000 0.221 101 S C 0.460 175.053 174.600 -0.013 0.000 0.975 101 S CA -0.174 58.018 58.200 -0.013 0.000 0.918 101 S CB -0.299 62.894 63.200 -0.013 0.000 0.772 101 S HN 0.474 nan 8.310 nan 0.000 0.531 102 L N 2.584 123.799 121.223 -0.015 0.000 2.361 102 L HA 0.127 4.468 4.340 0.002 0.000 0.278 102 L C 1.800 178.663 176.870 -0.012 0.000 1.113 102 L CA -0.294 54.538 54.840 -0.014 0.000 0.849 102 L CB 0.732 42.781 42.059 -0.017 0.000 1.155 102 L HN 0.208 nan 8.230 nan 0.000 0.452 103 T N -2.233 112.315 114.554 -0.010 0.000 3.072 103 T HA -0.075 4.276 4.350 0.002 0.000 0.266 103 T C 0.445 175.140 174.700 -0.009 0.000 1.127 103 T CA 0.339 62.434 62.100 -0.008 0.000 1.107 103 T CB -0.073 68.791 68.868 -0.007 0.000 0.910 103 T HN 0.503 nan 8.240 nan 0.000 0.513 104 D N 0.496 120.890 120.400 -0.010 0.000 2.473 104 D HA 0.292 4.933 4.640 0.002 0.000 0.253 104 D C -0.222 176.071 176.300 -0.012 0.000 1.233 104 D CA -0.586 53.408 54.000 -0.010 0.000 0.908 104 D CB 1.563 42.358 40.800 -0.010 0.000 1.170 104 D HN 0.166 nan 8.370 nan 0.000 0.558 105 K N 1.177 121.571 120.400 -0.011 0.000 2.437 105 K HA 0.150 4.471 4.320 0.002 0.000 0.205 105 K C 0.573 177.166 176.600 -0.011 0.000 1.026 105 K CA -0.319 55.961 56.287 -0.012 0.000 1.153 105 K CB 0.494 32.987 32.500 -0.011 0.000 0.863 105 K HN 0.359 nan 8.250 nan 0.000 0.502 106 S N -0.781 114.913 115.700 -0.010 0.000 2.585 106 S HA 0.548 5.019 4.470 0.002 0.000 0.277 106 S C 1.127 175.721 174.600 -0.011 0.000 1.241 106 S CA 0.022 58.217 58.200 -0.009 0.000 1.041 106 S CB 1.443 64.639 63.200 -0.007 0.000 0.987 106 S HN 0.396 nan 8.310 nan 0.000 0.512 107 G N 1.241 110.035 108.800 -0.009 0.000 2.217 107 G HA2 -0.217 3.744 3.960 0.002 0.000 0.246 107 G HA3 -0.217 3.744 3.960 0.002 0.000 0.246 107 G C 0.047 174.939 174.900 -0.014 0.000 0.990 107 G CA -0.074 45.019 45.100 -0.011 0.000 0.627 107 G HN 0.825 nan 8.290 nan 0.000 0.522 108 L N 2.449 123.664 121.223 -0.015 0.000 2.640 108 L HA 0.268 4.609 4.340 0.002 0.000 0.280 108 L C 1.631 178.493 176.870 -0.013 0.000 1.229 108 L CA 0.640 55.468 54.840 -0.019 0.000 0.919 108 L CB 0.359 42.408 42.059 -0.017 0.000 1.168 108 L HN 0.574 nan 8.230 nan 0.000 0.496 109 S N 0.811 116.497 115.700 -0.024 0.000 2.634 109 S HA 0.026 4.497 4.470 0.002 0.000 0.261 109 S C 0.752 175.355 174.600 0.004 0.000 1.271 109 S CA -0.496 57.695 58.200 -0.014 0.000 0.985 109 S CB 1.412 64.590 63.200 -0.036 0.000 0.968 109 S HN 0.706 nan 8.310 nan 0.000 0.568 110 D N 1.052 121.480 120.400 0.048 0.000 2.123 110 D HA -0.109 4.532 4.640 0.002 0.000 0.196 110 D C 2.081 178.426 176.300 0.075 0.000 0.992 110 D CA 1.835 55.909 54.000 0.124 0.000 0.833 110 D CB -0.737 40.182 40.800 0.199 0.000 0.954 110 D HN 0.682 nan 8.370 nan 0.000 0.455 111 A N 0.383 123.099 122.820 -0.174 0.000 1.948 111 A HA -0.045 4.276 4.320 0.002 0.000 0.220 111 A C 2.357 179.756 177.584 -0.308 0.000 1.177 111 A CA 2.469 54.069 52.037 -0.729 0.000 0.636 111 A CB -0.875 17.627 19.000 -0.830 0.000 0.815 111 A HN 0.348 nan 8.150 nan 0.000 0.449 112 A N -0.825 121.907 122.820 -0.146 0.000 1.930 112 A HA 0.216 4.537 4.320 0.002 0.000 0.215 112 A C 2.071 179.643 177.584 -0.020 0.000 1.176 112 A CA 1.191 53.180 52.037 -0.080 0.000 0.632 112 A CB -0.322 18.639 19.000 -0.065 0.000 0.819 112 A HN 0.452 nan 8.150 nan 0.000 0.445 113 L N -2.873 118.365 121.223 0.025 0.000 2.298 113 L HA 0.074 4.415 4.340 0.002 0.000 0.209 113 L C 1.265 178.200 176.870 0.109 0.000 1.084 113 L CA -0.388 54.483 54.840 0.052 0.000 0.816 113 L CB -0.400 41.693 42.059 0.056 0.000 0.967 113 L HN 0.588 nan 8.230 nan 0.000 0.460 114 W N 3.627 124.931 121.300 0.007 0.000 2.231 114 W HA 0.112 4.773 4.660 0.001 0.000 0.341 114 W C 0.454 176.997 176.519 0.040 0.000 1.298 114 W CA 0.101 57.483 57.345 0.062 0.000 1.266 114 W CB 0.341 29.916 29.460 0.191 0.000 1.172 114 W HN 0.121 nan 8.180 nan 0.000 0.568 115 E N 4.176 123.835 120.200 -0.902 0.000 2.363 115 E HA 0.733 5.083 4.350 0.002 0.000 0.281 115 E C -1.889 174.009 176.600 -1.171 0.000 0.953 115 E CA -1.195 54.658 56.400 -0.911 0.000 0.778 115 E CB 1.270 30.734 29.700 -0.392 0.000 1.220 115 E HN 0.599 nan 8.360 nan 0.000 0.431 116 A N 1.229 123.477 122.820 -0.955 0.000 2.572 116 A HA 0.655 4.976 4.320 0.002 0.000 0.295 116 A C -0.299 177.118 177.584 -0.279 0.000 1.072 116 A CA -0.196 51.500 52.037 -0.568 0.000 0.691 116 A CB 2.018 20.716 19.000 -0.503 0.000 1.291 116 A HN 0.533 nan 8.150 nan 0.000 0.404 117 S N -0.127 115.478 115.700 -0.158 0.000 2.665 117 S HA 0.185 4.656 4.470 0.002 0.000 0.240 117 S C 0.356 174.928 174.600 -0.046 0.000 1.081 117 S CA 0.339 58.483 58.200 -0.093 0.000 0.887 117 S CB -0.119 63.032 63.200 -0.081 0.000 0.805 117 S HN 0.728 nan 8.310 nan 0.000 0.486 118 E N 1.849 122.031 120.200 -0.030 0.000 2.313 118 E HA 0.154 4.505 4.350 0.002 0.000 0.276 118 E C 0.357 176.972 176.600 0.025 0.000 1.031 118 E CA -0.270 56.129 56.400 -0.002 0.000 0.857 118 E CB 1.210 30.913 29.700 0.004 0.000 1.040 118 E HN 0.202 nan 8.360 nan 0.000 0.408 119 K N 1.873 122.288 120.400 0.024 0.000 2.097 119 K HA -0.175 4.146 4.320 0.002 0.000 0.206 119 K C 2.004 178.635 176.600 0.052 0.000 1.049 119 K CA 1.702 58.013 56.287 0.039 0.000 0.933 119 K CB 0.006 32.518 32.500 0.021 0.000 0.717 119 K HN 0.510 nan 8.250 nan 0.000 0.442 120 S N 0.022 115.747 115.700 0.040 0.000 2.419 120 S HA -0.085 4.386 4.470 0.002 0.000 0.233 120 S C 2.090 176.730 174.600 0.066 0.000 1.016 120 S CA 0.869 59.094 58.200 0.041 0.000 0.974 120 S CB -0.166 63.051 63.200 0.028 0.000 0.786 120 S HN 0.374 nan 8.310 nan 0.000 0.492 121 A N 1.970 124.843 122.820 0.088 0.000 1.929 121 A HA 0.189 4.510 4.320 0.002 0.000 0.216 121 A C 2.322 180.052 177.584 0.244 0.000 1.176 121 A CA 1.370 53.494 52.037 0.145 0.000 0.628 121 A CB -0.689 18.388 19.000 0.128 0.000 0.816 121 A HN 0.581 nan 8.150 nan 0.000 0.444 122 M N -0.476 119.269 119.600 0.242 0.000 2.132 122 M HA -0.072 4.409 4.480 0.002 0.000 0.263 122 M C 2.004 178.381 176.300 0.129 0.000 1.065 122 M CA 1.273 56.760 55.300 0.312 0.000 1.122 122 M CB -0.527 32.225 32.600 0.254 0.000 1.365 122 M HN 0.336 nan 8.290 nan 0.000 0.411 123 L N -0.165 121.106 121.223 0.080 0.000 2.131 123 L HA -0.153 4.188 4.340 0.002 0.000 0.210 123 L C 2.810 179.679 176.870 -0.001 0.000 1.092 123 L CA 1.054 55.910 54.840 0.026 0.000 0.759 123 L CB -0.886 41.187 42.059 0.023 0.000 0.903 123 L HN 0.304 nan 8.230 nan 0.000 0.435 124 A N -0.130 122.702 122.820 0.020 0.000 1.968 124 A HA -0.191 4.130 4.320 0.002 0.000 0.217 124 A C 2.307 179.854 177.584 -0.063 0.000 1.169 124 A CA 1.599 53.633 52.037 -0.005 0.000 0.638 124 A CB -0.248 18.770 19.000 0.030 0.000 0.812 124 A HN 0.201 nan 8.150 nan 0.000 0.446 125 K N 0.232 120.578 120.400 -0.089 0.000 2.062 125 K HA 0.151 4.472 4.320 0.002 0.000 0.205 125 K C 2.008 178.382 176.600 -0.377 0.000 1.051 125 K CA 1.362 57.460 56.287 -0.315 0.000 0.941 125 K CB -0.593 31.545 32.500 -0.604 0.000 0.719 125 K HN 0.268 nan 8.250 nan 0.000 0.440 126 A N 0.431 123.095 122.820 -0.260 0.000 1.927 126 A HA -0.157 4.164 4.320 0.002 0.000 0.220 126 A C 2.356 179.821 177.584 -0.198 0.000 1.185 126 A CA 2.141 54.045 52.037 -0.221 0.000 0.639 126 A CB -1.599 17.337 19.000 -0.107 0.000 0.820 126 A HN 0.492 nan 8.150 nan 0.000 0.451 127 G N -1.242 107.465 108.800 -0.155 0.000 2.501 127 G HA2 -0.109 3.852 3.960 0.002 0.000 0.220 127 G HA3 -0.109 3.852 3.960 0.002 0.000 0.220 127 G C 1.287 176.094 174.900 -0.155 0.000 1.114 127 G CA 1.877 46.900 45.100 -0.129 0.000 0.757 127 G HN 0.964 nan 8.290 nan 0.000 0.559 128 T N -2.731 111.693 114.554 -0.216 0.000 3.145 128 T HA 0.306 4.657 4.350 0.002 0.000 0.281 128 T C 0.878 175.414 174.700 -0.273 0.000 1.003 128 T CA 0.527 62.499 62.100 -0.214 0.000 0.901 128 T CB 0.655 69.402 68.868 -0.202 0.000 1.112 128 T HN 0.568 nan 8.240 nan 0.000 0.535 129 V N -2.036 117.681 119.914 -0.328 0.000 3.017 129 V HA 0.786 4.907 4.120 0.002 0.000 0.354 129 V C 0.697 176.719 176.094 -0.121 0.000 1.389 129 V CA -0.261 61.822 62.300 -0.361 0.000 1.163 129 V CB -0.132 31.134 31.823 -0.928 0.000 1.178 129 V HN 0.376 nan 8.190 nan 0.000 0.547 130 G N 0.411 109.155 108.800 -0.093 0.000 2.641 130 G HA2 0.430 4.391 3.960 0.002 0.000 0.239 130 G HA3 0.430 4.391 3.960 0.002 0.000 0.239 130 G C 0.751 175.623 174.900 -0.047 0.000 1.402 130 G CA 0.282 45.343 45.100 -0.065 0.000 1.046 130 G HN 0.084 nan 8.290 nan 0.000 0.565 131 V N 0.671 120.384 119.914 -0.336 0.000 2.343 131 V HA -0.133 3.988 4.120 0.002 0.000 0.247 131 V C 2.770 178.719 176.094 -0.241 0.000 1.051 131 V CA 1.429 63.405 62.300 -0.539 0.000 1.036 131 V CB -0.442 30.878 31.823 -0.839 0.000 0.654 131 V HN 0.427 nan 8.190 nan 0.000 0.451 132 M N -0.042 119.356 119.600 -0.338 0.000 2.686 132 M HA 0.097 4.578 4.480 0.002 0.000 0.246 132 M C 2.138 178.358 176.300 -0.134 0.000 1.096 132 M CA 1.039 56.167 55.300 -0.287 0.000 1.076 132 M CB -1.681 30.684 32.600 -0.391 0.000 1.504 132 M HN 0.382 nan 8.290 nan 0.000 0.524 133 A N -0.114 122.667 122.820 -0.066 0.000 2.067 133 A HA -0.030 4.291 4.320 0.002 0.000 0.219 133 A C 1.168 178.751 177.584 -0.001 0.000 1.158 133 A CA 1.003 53.019 52.037 -0.036 0.000 0.661 133 A CB -0.630 18.359 19.000 -0.019 0.000 0.801 133 A HN 0.392 nan 8.150 nan 0.000 0.452 134 T N 1.026 115.605 114.554 0.041 0.000 2.782 134 T HA 0.289 4.640 4.350 0.002 0.000 0.298 134 T C 1.587 176.297 174.700 0.016 0.000 0.944 134 T CA 0.476 62.605 62.100 0.049 0.000 1.001 134 T CB 0.977 69.910 68.868 0.110 0.000 0.932 134 T HN 0.576 nan 8.240 nan 0.000 0.524 135 T N 0.677 115.230 114.554 -0.001 0.000 2.788 135 T HA -0.130 4.221 4.350 0.002 0.000 0.268 135 T C 0.677 175.377 174.700 0.000 0.000 1.044 135 T CA 0.682 62.775 62.100 -0.012 0.000 1.139 135 T CB -0.335 68.524 68.868 -0.015 0.000 0.867 135 T HN 0.559 nan 8.240 nan 0.000 0.454 136 D N 0.979 121.387 120.400 0.013 0.000 2.348 136 D HA 0.147 4.788 4.640 0.002 0.000 0.253 136 D C 0.616 176.938 176.300 0.037 0.000 1.161 136 D CA -0.388 53.624 54.000 0.020 0.000 0.876 136 D CB 0.819 41.629 40.800 0.017 0.000 1.160 136 D HN -0.012 nan 8.370 nan 0.000 0.459 137 D N 2.815 123.239 120.400 0.040 0.000 2.084 137 D HA -0.155 4.485 4.640 0.002 0.000 0.194 137 D C 1.109 177.457 176.300 0.080 0.000 0.990 137 D CA 1.068 55.105 54.000 0.062 0.000 0.826 137 D CB 0.003 40.835 40.800 0.054 0.000 0.971 137 D HN 0.559 nan 8.370 nan 0.000 0.453 138 D N 0.281 120.718 120.400 0.060 0.000 2.144 138 D HA -0.085 4.555 4.640 0.002 0.000 0.199 138 D C 2.266 178.602 176.300 0.060 0.000 0.984 138 D CA 0.402 54.438 54.000 0.061 0.000 0.834 138 D CB -0.137 40.688 40.800 0.042 0.000 0.955 138 D HN 0.087 nan 8.370 nan 0.000 0.465 139 V N 1.023 120.965 119.914 0.046 0.000 2.515 139 V HA -0.187 3.934 4.120 0.002 0.000 0.250 139 V C 2.548 178.674 176.094 0.053 0.000 1.058 139 V CA 1.302 63.620 62.300 0.030 0.000 1.064 139 V CB -0.415 31.417 31.823 0.015 0.000 0.675 139 V HN 0.096 nan 8.190 nan 0.000 0.461 140 R N -0.023 120.542 120.500 0.108 0.000 2.075 140 R HA -0.148 4.193 4.340 0.002 0.000 0.232 140 R C 2.618 179.097 176.300 0.298 0.000 1.126 140 R CA 1.714 57.943 56.100 0.215 0.000 0.963 140 R CB -0.440 29.982 30.300 0.204 0.000 0.858 140 R HN 0.442 nan 8.270 nan 0.000 0.435 141 S N 0.139 115.977 115.700 0.231 0.000 2.382 141 S HA -0.075 4.396 4.470 0.002 0.000 0.228 141 S C 1.870 176.562 174.600 0.153 0.000 1.027 141 S CA 1.112 59.458 58.200 0.244 0.000 0.991 141 S CB -0.114 63.198 63.200 0.187 0.000 0.823 141 S HN 0.368 nan 8.310 nan 0.000 0.469 142 L N 0.308 121.574 121.223 0.072 0.000 2.131 142 L HA 0.114 4.455 4.340 0.002 0.000 0.206 142 L C 2.897 179.700 176.870 -0.111 0.000 1.087 142 L CA 0.844 55.683 54.840 -0.002 0.000 0.767 142 L CB -0.390 41.668 42.059 -0.001 0.000 0.917 142 L HN 0.205 nan 8.230 nan 0.000 0.441 143 R N -0.689 119.719 120.500 -0.153 0.000 2.105 143 R HA -0.202 4.138 4.340 0.002 0.000 0.239 143 R C 2.020 177.896 176.300 -0.706 0.000 1.135 143 R CA 2.033 57.894 56.100 -0.398 0.000 0.967 143 R CB -0.228 29.820 30.300 -0.420 0.000 0.861 143 R HN 0.366 nan 8.270 nan 0.000 0.442 144 W N -0.559 120.549 121.300 -0.320 0.000 2.640 144 W HA 0.038 4.698 4.660 0.001 0.000 0.268 144 W C 1.740 177.595 176.519 -1.106 0.000 1.263 144 W CA -0.320 56.570 57.345 -0.759 0.000 1.344 144 W CB -0.193 28.893 29.460 -0.622 0.000 1.093 144 W HN 0.077 nan 8.180 nan 0.000 0.603 145 L N 0.577 121.542 121.223 -0.430 0.000 2.083 145 L HA -0.116 4.225 4.340 0.002 0.000 0.209 145 L C 1.812 178.525 176.870 -0.263 0.000 1.083 145 L CA 1.947 56.602 54.840 -0.308 0.000 0.752 145 L CB -0.727 41.342 42.059 0.016 0.000 0.899 145 L HN 0.026 nan 8.230 nan 0.000 0.433 146 I N -1.205 119.205 120.570 -0.266 0.000 2.286 146 I HA -0.228 3.943 4.170 0.002 0.000 0.245 146 I C 2.184 178.155 176.117 -0.244 0.000 1.104 146 I CA 1.404 62.583 61.300 -0.202 0.000 1.397 146 I CB -0.641 37.240 38.000 -0.199 0.000 1.072 146 I HN 0.219 nan 8.210 nan 0.000 0.417 147 T N 1.003 115.312 114.554 -0.408 0.000 2.720 147 T HA -0.161 4.190 4.350 0.002 0.000 0.268 147 T C 1.704 176.370 174.700 -0.056 0.000 1.037 147 T CA 1.609 63.511 62.100 -0.330 0.000 1.144 147 T CB -0.448 68.081 68.868 -0.564 0.000 0.864 147 T HN 0.247 nan 8.240 nan 0.000 0.444 148 F N 1.013 120.884 119.950 -0.133 0.000 2.234 148 F HA 0.026 4.554 4.527 0.001 0.000 0.299 148 F C 2.804 178.528 175.800 -0.127 0.000 1.087 148 F CA 0.242 58.153 58.000 -0.148 0.000 1.340 148 F CB -0.446 38.353 39.000 -0.335 0.000 1.031 148 F HN 0.258 nan 8.300 nan 0.000 0.500 149 G N 0.507 109.333 108.800 0.044 0.000 2.422 149 G HA2 -0.148 3.812 3.960 0.002 0.000 0.218 149 G HA3 -0.148 3.812 3.960 0.002 0.000 0.218 149 G C 1.620 176.521 174.900 0.002 0.000 1.140 149 G CA 0.350 45.464 45.100 0.022 0.000 0.775 149 G HN 0.253 nan 8.290 nan 0.000 0.545 150 L N -0.120 121.090 121.223 -0.022 0.000 2.156 150 L HA 0.011 4.352 4.340 0.002 0.000 0.208 150 L C 2.897 179.730 176.870 -0.063 0.000 1.095 150 L CA 0.902 55.715 54.840 -0.045 0.000 0.770 150 L CB -0.223 41.772 42.059 -0.106 0.000 0.914 150 L HN 0.172 nan 8.230 nan 0.000 0.439 151 K N 0.135 120.510 120.400 -0.042 0.000 2.057 151 K HA -0.100 4.221 4.320 0.002 0.000 0.207 151 K C 2.167 178.636 176.600 -0.219 0.000 1.049 151 K CA 1.364 57.602 56.287 -0.080 0.000 0.931 151 K CB -0.474 32.021 32.500 -0.009 0.000 0.714 151 K HN 0.368 nan 8.250 nan 0.000 0.440 152 G N 1.509 110.178 108.800 -0.218 0.000 2.408 152 G HA2 -0.264 3.697 3.960 0.002 0.000 0.217 152 G HA3 -0.264 3.697 3.960 0.002 0.000 0.217 152 G C 1.455 176.049 174.900 -0.510 0.000 1.150 152 G CA 0.594 45.447 45.100 -0.411 0.000 0.776 152 G HN 0.178 nan 8.290 nan 0.000 0.542 153 M N 0.775 120.243 119.600 -0.220 0.000 2.132 153 M HA 0.064 4.545 4.480 0.002 0.000 0.263 153 M C 2.734 178.996 176.300 -0.063 0.000 1.065 153 M CA 1.627 56.889 55.300 -0.063 0.000 1.122 153 M CB -0.060 32.579 32.600 0.066 0.000 1.365 153 M HN 0.281 nan 8.290 nan 0.000 0.411 154 A N 0.074 122.820 122.820 -0.122 0.000 1.969 154 A HA 0.026 4.347 4.320 0.002 0.000 0.218 154 A C 2.248 179.718 177.584 -0.190 0.000 1.169 154 A CA 1.568 53.544 52.037 -0.102 0.000 0.635 154 A CB -0.935 18.009 19.000 -0.092 0.000 0.810 154 A HN 0.637 nan 8.150 nan 0.000 0.445 155 A N -1.107 121.439 122.820 -0.458 0.000 1.898 155 A HA -0.090 4.231 4.320 0.002 0.000 0.216 155 A C 2.120 179.622 177.584 -0.137 0.000 1.181 155 A CA 1.392 52.949 52.037 -0.799 0.000 0.620 155 A CB -0.802 17.371 19.000 -1.379 0.000 0.819 155 A HN 0.671 nan 8.150 nan 0.000 0.442 156 Y N -0.543 119.722 120.300 -0.058 0.000 2.163 156 Y HA -0.131 4.420 4.550 0.002 0.000 0.288 156 Y C 3.031 178.996 175.900 0.108 0.000 1.136 156 Y CA 0.363 58.520 58.100 0.096 0.000 1.147 156 Y CB -0.227 38.270 38.460 0.060 0.000 0.987 156 Y HN 0.381 nan 8.280 nan 0.000 0.509 157 A N 0.431 123.387 122.820 0.227 0.000 1.940 157 A HA -0.250 4.071 4.320 0.002 0.000 0.219 157 A C 2.113 179.791 177.584 0.157 0.000 1.176 157 A CA 1.907 54.050 52.037 0.176 0.000 0.631 157 A CB -0.609 18.476 19.000 0.141 0.000 0.814 157 A HN 0.399 nan 8.150 nan 0.000 0.446 158 K N -1.277 119.182 120.400 0.098 0.000 2.057 158 K HA -0.188 4.133 4.320 0.002 0.000 0.207 158 K C 1.958 178.594 176.600 0.061 0.000 1.049 158 K CA 1.409 57.731 56.287 0.059 0.000 0.931 158 K CB -0.268 32.247 32.500 0.025 0.000 0.714 158 K HN 0.636 nan 8.250 nan 0.000 0.440 159 H N -0.406 118.795 119.070 0.219 0.000 2.389 159 H HA -0.053 4.504 4.556 0.001 0.000 0.299 159 H C 1.951 177.381 175.328 0.171 0.000 1.081 159 H CA 1.363 57.540 56.048 0.215 0.000 1.345 159 H CB -0.014 29.891 29.762 0.238 0.000 1.393 159 H HN 0.343 nan 8.280 nan 0.000 0.520 160 A N 0.846 123.821 122.820 0.258 0.000 1.930 160 A HA -0.169 4.152 4.320 0.002 0.000 0.217 160 A C 2.218 179.904 177.584 0.169 0.000 1.175 160 A CA 1.728 53.873 52.037 0.181 0.000 0.627 160 A CB -0.339 18.749 19.000 0.147 0.000 0.815 160 A HN 0.315 nan 8.150 nan 0.000 0.443 161 D N -0.388 120.128 120.400 0.192 0.000 2.144 161 D HA -0.108 4.533 4.640 0.002 0.000 0.199 161 D C 1.732 178.141 176.300 0.181 0.000 0.984 161 D CA 1.319 55.451 54.000 0.221 0.000 0.834 161 D CB -0.119 40.817 40.800 0.226 0.000 0.955 161 D HN 0.123 nan 8.370 nan 0.000 0.465 162 V N 0.260 120.269 119.914 0.158 0.000 2.594 162 V HA -0.160 3.961 4.120 0.002 0.000 0.253 162 V C 1.977 178.154 176.094 0.139 0.000 1.069 162 V CA 1.128 63.515 62.300 0.145 0.000 1.082 162 V CB -0.301 31.623 31.823 0.167 0.000 0.680 162 V HN 0.307 nan 8.190 nan 0.000 0.469 163 L N -0.132 121.172 121.223 0.134 0.000 2.741 163 L HA 0.419 4.760 4.340 0.002 0.000 0.237 163 L C 1.535 178.436 176.870 0.051 0.000 1.178 163 L CA 0.703 55.592 54.840 0.082 0.000 0.973 163 L CB 0.050 42.145 42.059 0.060 0.000 1.255 163 L HN 0.439 nan 8.230 nan 0.000 0.498 164 G N 0.134 108.985 108.800 0.086 0.000 2.175 164 G HA2 -0.254 3.707 3.960 0.002 0.000 0.244 164 G HA3 -0.254 3.707 3.960 0.002 0.000 0.244 164 G C 0.199 175.115 174.900 0.027 0.000 0.982 164 G CA -0.229 44.911 45.100 0.066 0.000 0.641 164 G HN 0.356 nan 8.290 nan 0.000 0.527 165 K N 0.480 120.908 120.400 0.048 0.000 2.244 165 K HA 0.654 4.975 4.320 0.002 0.000 0.260 165 K C -0.456 176.187 176.600 0.071 0.000 0.951 165 K CA -0.686 55.592 56.287 -0.015 0.000 0.826 165 K CB 1.342 33.840 32.500 -0.002 0.000 1.108 165 K HN 0.699 nan 8.250 nan 0.000 0.433 166 H N -0.460 118.611 119.070 0.001 0.000 3.123 166 H HA 0.278 4.835 4.556 0.001 0.000 0.346 166 H C -1.637 173.672 175.328 -0.031 0.000 1.138 166 H CA -0.969 55.078 56.048 -0.003 0.000 1.273 166 H CB 0.849 30.584 29.762 -0.044 0.000 1.926 166 H HN 0.398 nan 8.280 nan 0.000 0.524 167 E N 2.332 122.624 120.200 0.152 0.000 2.151 167 E HA 0.121 4.472 4.350 0.002 0.000 0.275 167 E C 0.317 177.017 176.600 0.167 0.000 0.936 167 E CA -0.907 55.561 56.400 0.113 0.000 0.777 167 E CB 1.778 31.532 29.700 0.091 0.000 1.108 167 E HN 0.716 nan 8.360 nan 0.000 0.401 168 N N 2.228 121.016 118.700 0.147 0.000 2.223 168 N HA -0.172 4.569 4.740 0.002 0.000 0.185 168 N C 1.547 177.123 175.510 0.109 0.000 1.016 168 N CA 1.643 54.763 53.050 0.116 0.000 0.863 168 N CB 0.200 38.738 38.487 0.085 0.000 0.983 168 N HN 0.462 nan 8.380 nan 0.000 0.429 169 S N 0.254 116.029 115.700 0.125 0.000 2.419 169 S HA -0.119 4.352 4.470 0.002 0.000 0.233 169 S C 2.044 176.761 174.600 0.195 0.000 1.016 169 S CA 0.518 58.813 58.200 0.158 0.000 0.974 169 S CB -0.401 62.912 63.200 0.189 0.000 0.786 169 S HN 0.269 nan 8.310 nan 0.000 0.492 170 L N 2.407 123.754 121.223 0.207 0.000 2.007 170 L HA 0.036 4.377 4.340 0.002 0.000 0.205 170 L C 1.966 178.915 176.870 0.132 0.000 1.073 170 L CA 2.067 57.046 54.840 0.231 0.000 0.744 170 L CB -1.048 41.148 42.059 0.229 0.000 0.898 170 L HN 0.154 nan 8.230 nan 0.000 0.435 171 D N -0.028 120.437 120.400 0.108 0.000 2.104 171 D HA -0.200 4.441 4.640 0.002 0.000 0.194 171 D C 2.098 178.394 176.300 -0.008 0.000 0.994 171 D CA 1.623 55.656 54.000 0.055 0.000 0.830 171 D CB -0.078 40.771 40.800 0.083 0.000 0.959 171 D HN 0.496 nan 8.370 nan 0.000 0.452 172 A N 0.903 123.729 122.820 0.010 0.000 1.908 172 A HA -0.215 4.106 4.320 0.002 0.000 0.218 172 A C 2.078 179.602 177.584 -0.100 0.000 1.181 172 A CA 1.277 53.298 52.037 -0.027 0.000 0.627 172 A CB -1.007 18.000 19.000 0.013 0.000 0.818 172 A HN 0.283 nan 8.150 nan 0.000 0.445 173 F N 0.059 119.848 119.950 -0.267 0.000 2.146 173 F HA -0.120 4.408 4.527 0.001 0.000 0.298 173 F C 2.235 177.827 175.800 -0.346 0.000 1.096 173 F CA 1.842 59.560 58.000 -0.470 0.000 1.275 173 F CB -0.343 37.960 39.000 -1.163 0.000 1.008 173 F HN 0.156 nan 8.300 nan 0.000 0.480 174 M N -0.023 119.282 119.600 -0.491 0.000 2.080 174 M HA -0.282 4.199 4.480 0.002 0.000 0.260 174 M C 2.246 178.288 176.300 -0.428 0.000 1.068 174 M CA 2.083 57.099 55.300 -0.472 0.000 1.109 174 M CB -0.626 31.869 32.600 -0.175 0.000 1.342 174 M HN 0.220 nan 8.290 nan 0.000 0.405 175 Q N -0.423 119.205 119.800 -0.287 0.000 2.167 175 Q HA -0.194 4.147 4.340 0.002 0.000 0.202 175 Q C 1.921 177.766 176.000 -0.258 0.000 0.970 175 Q CA 1.336 57.005 55.803 -0.224 0.000 0.855 175 Q CB -0.129 28.523 28.738 -0.143 0.000 0.911 175 Q HN 0.527 nan 8.270 nan 0.000 0.438 176 E N 0.372 120.382 120.200 -0.316 0.000 2.072 176 E HA -0.163 4.188 4.350 0.002 0.000 0.190 176 E C 1.831 178.216 176.600 -0.358 0.000 0.982 176 E CA 0.897 57.130 56.400 -0.280 0.000 0.803 176 E CB -0.018 29.542 29.700 -0.234 0.000 0.755 176 E HN 0.329 nan 8.360 nan 0.000 0.453 177 A N 1.249 123.706 122.820 -0.604 0.000 1.898 177 A HA -0.095 4.226 4.320 0.002 0.000 0.216 177 A C 2.224 179.582 177.584 -0.376 0.000 1.181 177 A CA 0.888 52.582 52.037 -0.573 0.000 0.620 177 A CB -0.590 17.846 19.000 -0.941 0.000 0.819 177 A HN 0.299 nan 8.150 nan 0.000 0.442 178 L N -0.762 120.251 121.223 -0.349 0.000 2.083 178 L HA -0.196 4.145 4.340 0.002 0.000 0.209 178 L C 3.039 179.769 176.870 -0.232 0.000 1.083 178 L CA 1.088 55.766 54.840 -0.271 0.000 0.752 178 L CB -0.459 41.466 42.059 -0.223 0.000 0.899 178 L HN 0.437 nan 8.230 nan 0.000 0.433 179 A N -0.276 122.418 122.820 -0.210 0.000 1.968 179 A HA -0.159 4.162 4.320 0.002 0.000 0.217 179 A C 2.306 179.795 177.584 -0.157 0.000 1.169 179 A CA 1.232 53.168 52.037 -0.168 0.000 0.638 179 A CB -0.240 18.673 19.000 -0.144 0.000 0.812 179 A HN 0.290 nan 8.150 nan 0.000 0.446 180 K N -0.224 120.073 120.400 -0.172 0.000 2.148 180 K HA -0.093 4.228 4.320 0.002 0.000 0.204 180 K C 1.748 178.257 176.600 -0.153 0.000 1.050 180 K CA 1.585 57.787 56.287 -0.142 0.000 0.942 180 K CB -0.403 32.016 32.500 -0.134 0.000 0.724 180 K HN 0.670 nan 8.250 nan 0.000 0.446 181 T N -0.964 113.467 114.554 -0.205 0.000 3.400 181 T HA 0.059 4.410 4.350 0.002 0.000 0.254 181 T C 1.307 175.882 174.700 -0.209 0.000 1.153 181 T CA 0.447 62.401 62.100 -0.245 0.000 1.012 181 T CB -0.150 68.494 68.868 -0.373 0.000 0.994 181 T HN 0.089 nan 8.240 nan 0.000 0.555 182 L N -0.619 120.513 121.223 -0.151 0.000 2.840 182 L HA 0.340 4.681 4.340 0.002 0.000 0.249 182 L C 0.630 177.456 176.870 -0.074 0.000 1.119 182 L CA -0.219 54.559 54.840 -0.104 0.000 0.930 182 L CB 0.405 42.402 42.059 -0.103 0.000 1.295 182 L HN 0.225 nan 8.230 nan 0.000 0.534 183 D N 1.101 121.454 120.400 -0.079 0.000 2.338 183 D HA -0.018 4.623 4.640 0.002 0.000 0.255 183 D C 0.314 176.586 176.300 -0.047 0.000 1.237 183 D CA 0.164 54.130 54.000 -0.057 0.000 0.883 183 D CB 1.257 42.023 40.800 -0.057 0.000 1.087 183 D HN 0.051 nan 8.370 nan 0.000 0.485 184 D N 1.617 121.997 120.400 -0.033 0.000 2.348 184 D HA -0.128 4.513 4.640 0.002 0.000 0.216 184 D C 1.801 178.088 176.300 -0.021 0.000 0.970 184 D CA 0.547 54.532 54.000 -0.024 0.000 0.889 184 D CB 0.250 41.041 40.800 -0.016 0.000 0.912 184 D HN 0.455 nan 8.370 nan 0.000 0.524 185 S N -0.307 115.380 115.700 -0.022 0.000 2.470 185 S HA 0.006 4.477 4.470 0.002 0.000 0.225 185 S C 1.177 175.767 174.600 -0.017 0.000 1.006 185 S CA -0.192 57.998 58.200 -0.017 0.000 0.934 185 S CB -0.209 62.982 63.200 -0.016 0.000 0.778 185 S HN 0.116 nan 8.310 nan 0.000 0.517 186 L N 3.384 124.593 121.223 -0.023 0.000 2.514 186 L HA 0.181 4.521 4.340 0.002 0.000 0.280 186 L C 1.051 177.912 176.870 -0.015 0.000 1.223 186 L CA -0.242 54.585 54.840 -0.021 0.000 0.864 186 L CB 0.185 42.225 42.059 -0.031 0.000 1.118 186 L HN 0.450 nan 8.230 nan 0.000 0.494 187 S N 1.656 117.351 115.700 -0.009 0.000 2.719 187 S HA 0.317 4.788 4.470 0.002 0.000 0.285 187 S C 0.954 175.553 174.600 -0.001 0.000 1.137 187 S CA -0.931 57.267 58.200 -0.004 0.000 1.012 187 S CB 1.567 64.767 63.200 -0.001 0.000 1.134 187 S HN 0.303 nan 8.310 nan 0.000 0.544 188 V N 1.068 120.985 119.914 0.004 0.000 2.427 188 V HA -0.064 4.057 4.120 0.002 0.000 0.248 188 V C 2.949 179.050 176.094 0.012 0.000 1.051 188 V CA 2.125 64.430 62.300 0.009 0.000 1.048 188 V CB -1.670 30.161 31.823 0.013 0.000 0.666 188 V HN 0.971 nan 8.190 nan 0.000 0.456 189 A N 0.001 122.827 122.820 0.010 0.000 1.933 189 A HA -0.234 4.087 4.320 0.002 0.000 0.218 189 A C 1.960 179.554 177.584 0.016 0.000 1.175 189 A CA 1.957 54.001 52.037 0.012 0.000 0.628 189 A CB -0.494 18.510 19.000 0.007 0.000 0.814 189 A HN 0.568 nan 8.150 nan 0.000 0.444 190 D N 0.042 120.449 120.400 0.011 0.000 2.149 190 D HA -0.064 4.577 4.640 0.002 0.000 0.201 190 D C 1.927 178.236 176.300 0.015 0.000 0.972 190 D CA 0.887 54.895 54.000 0.013 0.000 0.835 190 D CB -0.319 40.484 40.800 0.004 0.000 0.966 190 D HN 0.451 nan 8.370 nan 0.000 0.476 191 L N 0.568 121.794 121.223 0.005 0.000 2.141 191 L HA -0.105 4.236 4.340 0.002 0.000 0.209 191 L C 2.510 179.391 176.870 0.018 0.000 1.094 191 L CA 0.410 55.249 54.840 -0.002 0.000 0.763 191 L CB -0.157 41.891 42.059 -0.017 0.000 0.908 191 L HN -0.086 nan 8.230 nan 0.000 0.437 192 V N 0.011 119.943 119.914 0.031 0.000 2.307 192 V HA -0.275 3.846 4.120 0.002 0.000 0.245 192 V C 2.768 178.900 176.094 0.063 0.000 1.045 192 V CA 1.764 64.095 62.300 0.052 0.000 1.024 192 V CB -0.895 30.962 31.823 0.056 0.000 0.651 192 V HN 0.471 nan 8.190 nan 0.000 0.449 193 A N 0.015 122.867 122.820 0.054 0.000 1.883 193 A HA -0.239 4.082 4.320 0.002 0.000 0.217 193 A C 2.182 179.811 177.584 0.076 0.000 1.186 193 A CA 2.276 54.349 52.037 0.060 0.000 0.624 193 A CB -0.684 18.344 19.000 0.047 0.000 0.822 193 A HN 0.454 nan 8.150 nan 0.000 0.444 194 L N -0.303 120.963 121.223 0.072 0.000 2.131 194 L HA -0.099 4.242 4.340 0.002 0.000 0.210 194 L C 2.407 179.346 176.870 0.115 0.000 1.092 194 L CA 2.669 57.571 54.840 0.105 0.000 0.759 194 L CB -1.030 41.063 42.059 0.057 0.000 0.903 194 L HN 0.377 nan 8.230 nan 0.000 0.435 195 T N -0.286 114.309 114.554 0.069 0.000 2.708 195 T HA -0.163 4.188 4.350 0.002 0.000 0.266 195 T C 1.923 176.662 174.700 0.064 0.000 1.037 195 T CA 1.851 63.984 62.100 0.056 0.000 1.146 195 T CB -0.268 68.622 68.868 0.036 0.000 0.865 195 T HN 0.311 nan 8.240 nan 0.000 0.435 196 L N 0.599 121.864 121.223 0.069 0.000 2.141 196 L HA -0.040 4.301 4.340 0.002 0.000 0.209 196 L C 2.714 179.612 176.870 0.047 0.000 1.094 196 L CA 1.264 56.136 54.840 0.053 0.000 0.763 196 L CB -0.422 41.688 42.059 0.086 0.000 0.908 196 L HN 0.355 nan 8.230 nan 0.000 0.437 197 E N -0.299 119.951 120.200 0.084 0.000 2.152 197 E HA -0.172 4.179 4.350 0.002 0.000 0.192 197 E C 1.917 178.583 176.600 0.111 0.000 0.983 197 E CA 1.375 57.819 56.400 0.074 0.000 0.818 197 E CB 0.174 29.958 29.700 0.140 0.000 0.758 197 E HN 0.343 nan 8.360 nan 0.000 0.467 198 T N -0.215 114.478 114.554 0.232 0.000 2.746 198 T HA -0.121 4.230 4.350 0.002 0.000 0.267 198 T C 1.672 176.481 174.700 0.182 0.000 1.039 198 T CA 1.246 63.541 62.100 0.326 0.000 1.142 198 T CB -0.501 68.511 68.868 0.241 0.000 0.866 198 T HN 0.408 nan 8.240 nan 0.000 0.444 199 G N 1.101 109.950 108.800 0.082 0.000 2.422 199 G HA2 -0.187 3.774 3.960 0.002 0.000 0.218 199 G HA3 -0.187 3.774 3.960 0.002 0.000 0.218 199 G C 1.501 176.403 174.900 0.003 0.000 1.140 199 G CA 0.784 45.903 45.100 0.033 0.000 0.775 199 G HN 0.427 nan 8.290 nan 0.000 0.545 200 K N -0.412 119.957 120.400 -0.053 0.000 2.026 200 K HA -0.045 4.276 4.320 0.002 0.000 0.208 200 K C 2.094 178.535 176.600 -0.265 0.000 1.048 200 K CA 1.097 57.272 56.287 -0.186 0.000 0.929 200 K CB -0.282 32.037 32.500 -0.302 0.000 0.713 200 K HN 0.329 nan 8.250 nan 0.000 0.439 201 F N 0.274 120.096 119.950 -0.213 0.000 2.502 201 F HA 0.011 4.538 4.527 0.001 0.000 0.298 201 F C 2.241 178.032 175.800 -0.016 0.000 1.111 201 F CA 0.983 58.879 58.000 -0.172 0.000 1.445 201 F CB -0.414 38.387 39.000 -0.333 0.000 1.081 201 F HN 0.199 nan 8.300 nan 0.000 0.558 202 G N -0.092 108.803 108.800 0.158 0.000 2.422 202 G HA2 -0.184 3.777 3.960 0.002 0.000 0.218 202 G HA3 -0.184 3.777 3.960 0.002 0.000 0.218 202 G C 1.775 176.749 174.900 0.123 0.000 1.146 202 G CA 1.137 46.334 45.100 0.162 0.000 0.769 202 G HN 0.242 nan 8.290 nan 0.000 0.547 203 V N 1.188 121.135 119.914 0.056 0.000 2.358 203 V HA -0.180 3.941 4.120 0.002 0.000 0.246 203 V C 3.092 179.165 176.094 -0.035 0.000 1.047 203 V CA 2.128 64.455 62.300 0.044 0.000 1.035 203 V CB -0.595 31.246 31.823 0.031 0.000 0.658 203 V HN 0.355 nan 8.190 nan 0.000 0.452 204 S N 0.626 116.296 115.700 -0.049 0.000 2.353 204 S HA -0.220 4.250 4.470 0.002 0.000 0.222 204 S C 2.295 176.876 174.600 -0.032 0.000 1.035 204 S CA 1.579 59.745 58.200 -0.057 0.000 1.025 204 S CB -0.672 62.508 63.200 -0.034 0.000 0.902 204 S HN 0.656 nan 8.310 nan 0.000 0.440 205 A N 1.727 124.585 122.820 0.063 0.000 1.892 205 A HA -0.172 4.149 4.320 0.002 0.000 0.218 205 A C 2.198 179.788 177.584 0.011 0.000 1.188 205 A CA 1.965 54.064 52.037 0.103 0.000 0.631 205 A CB -0.768 18.358 19.000 0.211 0.000 0.822 205 A HN 0.510 nan 8.150 nan 0.000 0.447 206 M N -0.595 118.973 119.600 -0.054 0.000 2.159 206 M HA -0.133 4.348 4.480 0.002 0.000 0.263 206 M C 2.481 178.442 176.300 -0.566 0.000 1.063 206 M CA 1.457 56.608 55.300 -0.249 0.000 1.110 206 M CB -0.418 32.099 32.600 -0.138 0.000 1.374 206 M HN 0.475 nan 8.290 nan 0.000 0.411 207 A N 0.277 122.648 122.820 -0.748 0.000 1.898 207 A HA -0.119 4.202 4.320 0.002 0.000 0.216 207 A C 2.107 179.497 177.584 -0.323 0.000 1.181 207 A CA 1.234 52.732 52.037 -0.897 0.000 0.620 207 A CB -0.725 17.953 19.000 -0.535 0.000 0.819 207 A HN 0.425 nan 8.150 nan 0.000 0.442 208 L N -0.664 120.458 121.223 -0.169 0.000 2.017 208 L HA -0.104 4.237 4.340 0.002 0.000 0.208 208 L C 2.229 179.090 176.870 -0.015 0.000 1.073 208 L CA 2.021 56.832 54.840 -0.049 0.000 0.745 208 L CB -0.611 41.454 42.059 0.010 0.000 0.894 208 L HN 0.353 nan 8.230 nan 0.000 0.432 209 L N -0.243 120.970 121.223 -0.017 0.000 2.046 209 L HA -0.217 4.124 4.340 0.002 0.000 0.208 209 L C 2.273 179.167 176.870 0.040 0.000 1.077 209 L CA 2.211 57.072 54.840 0.035 0.000 0.747 209 L CB -1.233 40.836 42.059 0.016 0.000 0.896 209 L HN 0.556 nan 8.230 nan 0.000 0.432 210 D N -0.477 119.918 120.400 -0.008 0.000 2.123 210 D HA -0.232 4.409 4.640 0.002 0.000 0.196 210 D C 1.857 178.251 176.300 0.156 0.000 0.992 210 D CA 1.435 55.509 54.000 0.123 0.000 0.833 210 D CB 0.310 41.211 40.800 0.168 0.000 0.954 210 D HN 0.491 nan 8.370 nan 0.000 0.455 211 A N 0.689 123.560 122.820 0.084 0.000 2.015 211 A HA 0.105 4.426 4.320 0.002 0.000 0.219 211 A C 2.342 179.950 177.584 0.041 0.000 1.163 211 A CA 1.706 53.789 52.037 0.077 0.000 0.646 211 A CB -0.450 18.575 19.000 0.041 0.000 0.806 211 A HN 0.358 nan 8.150 nan 0.000 0.448 212 A N 0.274 123.119 122.820 0.043 0.000 1.897 212 A HA -0.108 4.213 4.320 0.002 0.000 0.215 212 A C 1.971 179.563 177.584 0.014 0.000 1.181 212 A CA 1.463 53.514 52.037 0.023 0.000 0.620 212 A CB -0.462 18.571 19.000 0.056 0.000 0.821 212 A HN 0.515 nan 8.150 nan 0.000 0.443 213 N N 0.161 118.917 118.700 0.093 0.000 2.062 213 N HA -0.135 4.606 4.740 0.002 0.000 0.191 213 N C 2.088 177.711 175.510 0.188 0.000 1.042 213 N CA 2.467 55.606 53.050 0.149 0.000 0.845 213 N CB -0.989 37.653 38.487 0.258 0.000 1.024 213 N HN 0.660 nan 8.380 nan 0.000 0.424 214 T N -1.839 112.840 114.554 0.209 0.000 2.867 214 T HA -0.025 4.326 4.350 0.002 0.000 0.268 214 T C 2.047 176.672 174.700 -0.125 0.000 1.057 214 T CA 1.379 63.510 62.100 0.053 0.000 1.136 214 T CB -0.758 68.030 68.868 -0.134 0.000 0.874 214 T HN 0.199 nan 8.240 nan 0.000 0.466 215 G N 1.029 109.772 108.800 -0.094 0.000 2.402 215 G HA2 -0.103 3.858 3.960 0.002 0.000 0.216 215 G HA3 -0.103 3.858 3.960 0.002 0.000 0.216 215 G C 1.661 176.462 174.900 -0.165 0.000 1.162 215 G CA 1.283 46.311 45.100 -0.119 0.000 0.777 215 G HN 0.556 nan 8.290 nan 0.000 0.539 216 T N -0.588 113.813 114.554 -0.255 0.000 2.939 216 T HA 0.055 4.406 4.350 0.002 0.000 0.254 216 T C 1.467 175.815 174.700 -0.587 0.000 1.041 216 T CA 0.676 62.478 62.100 -0.497 0.000 1.142 216 T CB -0.143 68.230 68.868 -0.824 0.000 0.874 216 T HN 0.419 nan 8.240 nan 0.000 0.452 217 Y N 0.981 121.219 120.300 -0.104 0.000 2.636 217 Y HA 0.481 5.032 4.550 0.001 0.000 0.260 217 Y C 1.301 177.205 175.900 0.007 0.000 1.177 217 Y CA -0.507 57.480 58.100 -0.188 0.000 1.209 217 Y CB 0.472 38.648 38.460 -0.473 0.000 1.166 217 Y HN 0.348 nan 8.280 nan 0.000 0.531 218 G N 0.449 109.305 108.800 0.094 0.000 2.758 218 G HA2 -0.219 3.742 3.960 0.002 0.000 0.686 218 G HA3 -0.219 3.742 3.960 0.002 0.000 0.686 218 G C -0.998 173.942 174.900 0.065 0.000 1.389 218 G CA -1.032 44.096 45.100 0.048 0.000 0.845 218 G HN 0.344 nan 8.290 nan 0.000 0.572 219 H N 1.223 120.311 119.070 0.031 0.000 2.803 219 H HA 0.311 4.868 4.556 0.002 0.000 0.330 219 H C -1.581 173.630 175.328 -0.193 0.000 1.057 219 H CA -0.619 55.384 56.048 -0.076 0.000 1.458 219 H CB 0.657 30.371 29.762 -0.081 0.000 1.470 219 H HN 0.272 nan 8.280 nan 0.000 0.560 220 P HA -0.053 nan 4.420 nan 0.000 0.269 220 P C -0.261 176.916 177.300 -0.205 0.000 1.205 220 P CA 0.509 63.401 63.100 -0.346 0.000 0.780 220 P CB 0.691 32.177 31.700 -0.355 0.000 0.858 221 E N 0.497 120.575 120.200 -0.202 0.000 2.412 221 E HA 0.427 4.778 4.350 0.002 0.000 0.279 221 E C -0.766 175.628 176.600 -0.343 0.000 0.984 221 E CA -0.995 55.266 56.400 -0.232 0.000 0.788 221 E CB 0.861 30.492 29.700 -0.116 0.000 1.277 221 E HN 0.158 nan 8.360 nan 0.000 0.455 222 I N 1.736 122.038 120.570 -0.447 0.000 2.828 222 I HA 0.005 4.175 4.170 0.002 0.000 0.292 222 I C -0.424 175.541 176.117 -0.253 0.000 1.206 222 I CA 0.956 61.936 61.300 -0.534 0.000 1.420 222 I CB -0.356 37.378 38.000 -0.443 0.000 1.368 222 I HN 0.469 nan 8.210 nan 0.000 0.556 223 T N 6.146 120.577 114.554 -0.204 0.000 2.921 223 T HA 0.323 4.674 4.350 0.002 0.000 0.297 223 T C -0.476 174.264 174.700 0.068 0.000 1.013 223 T CA -1.015 61.098 62.100 0.022 0.000 0.990 223 T CB 1.684 70.712 68.868 0.267 0.000 1.023 223 T HN 0.400 nan 8.240 nan 0.000 0.447 224 K N 2.247 122.672 120.400 0.042 0.000 2.264 224 K HA 0.563 4.884 4.320 0.002 0.000 0.277 224 K C -0.696 175.895 176.600 -0.015 0.000 1.067 224 K CA -0.607 55.697 56.287 0.027 0.000 0.900 224 K CB 1.245 33.749 32.500 0.006 0.000 1.124 224 K HN 0.286 nan 8.250 nan 0.000 0.469 225 V N 3.411 123.305 119.914 -0.033 0.000 2.407 225 V HA 0.071 4.192 4.120 0.002 0.000 0.278 225 V C 0.135 176.127 176.094 -0.170 0.000 1.037 225 V CA -0.922 61.252 62.300 -0.210 0.000 0.900 225 V CB 1.078 32.730 31.823 -0.285 0.000 0.983 225 V HN 0.695 nan 8.190 nan 0.000 0.459 226 N N 4.432 123.009 118.700 -0.205 0.000 2.520 226 N HA 0.197 4.938 4.740 0.002 0.000 0.273 226 N C 0.527 175.985 175.510 -0.087 0.000 1.155 226 N CA -0.207 52.774 53.050 -0.114 0.000 0.967 226 N CB 0.778 39.205 38.487 -0.101 0.000 1.092 226 N HN 0.697 nan 8.380 nan 0.000 0.457 227 I N -0.158 120.396 120.570 -0.026 0.000 3.976 227 I HA 0.504 4.675 4.170 0.002 0.000 0.337 227 I C 0.828 176.975 176.117 0.049 0.000 1.359 227 I CA -0.727 60.579 61.300 0.011 0.000 1.098 227 I CB 0.046 38.041 38.000 -0.008 0.000 1.027 227 I HN 0.350 nan 8.210 nan 0.000 0.394 228 G N 1.707 110.542 108.800 0.058 0.000 2.510 228 G HA2 0.586 4.547 3.960 0.002 0.000 0.280 228 G HA3 0.586 4.547 3.960 0.002 0.000 0.280 228 G C -0.279 174.738 174.900 0.196 0.000 1.386 228 G CA 0.235 45.388 45.100 0.089 0.000 1.047 228 G HN 0.290 nan 8.290 nan 0.000 0.527 229 V N -3.669 116.367 119.914 0.203 0.000 3.160 229 V HA 0.973 5.094 4.120 0.002 0.000 0.310 229 V C 0.471 176.689 176.094 0.206 0.000 1.181 229 V CA -0.060 62.431 62.300 0.320 0.000 1.047 229 V CB 1.295 33.280 31.823 0.270 0.000 1.068 229 V HN 1.227 nan 8.190 nan 0.000 0.441 230 G N 0.317 109.266 108.800 0.249 0.000 2.890 230 G HA2 0.551 4.512 3.960 0.002 0.000 0.189 230 G HA3 0.551 4.512 3.960 0.002 0.000 0.189 230 G C 0.514 175.471 174.900 0.094 0.000 1.342 230 G CA 0.135 45.320 45.100 0.140 0.000 1.026 230 G HN 1.735 nan 8.290 nan 0.000 0.579 231 S N -0.972 114.767 115.700 0.065 0.000 2.603 231 S HA 0.266 4.737 4.470 0.002 0.000 0.232 231 S C 0.216 174.823 174.600 0.012 0.000 1.016 231 S CA -0.529 57.686 58.200 0.025 0.000 0.976 231 S CB 0.036 63.247 63.200 0.018 0.000 0.921 231 S HN 0.308 nan 8.310 nan 0.000 0.516 232 N N 3.056 121.779 118.700 0.039 0.000 2.492 232 N HA 0.517 5.258 4.740 0.002 0.000 0.289 232 N C -3.054 172.451 175.510 -0.009 0.000 1.133 232 N CA -1.640 51.424 53.050 0.024 0.000 0.961 232 N CB 0.687 39.207 38.487 0.054 0.000 1.186 232 N HN 0.098 nan 8.380 nan 0.000 0.493 233 P HA 0.216 nan 4.420 nan 0.000 0.269 233 P C -0.164 177.107 177.300 -0.048 0.000 1.215 233 P CA -0.043 62.993 63.100 -0.108 0.000 0.780 233 P CB 0.591 32.243 31.700 -0.081 0.000 0.898 234 G N 0.894 109.626 108.800 -0.113 0.000 2.708 234 G HA2 0.700 4.661 3.960 0.002 0.000 0.289 234 G HA3 0.700 4.661 3.960 0.002 0.000 0.289 234 G C -1.666 173.365 174.900 0.219 0.000 1.416 234 G CA -0.672 44.505 45.100 0.127 0.000 0.829 234 G HN 0.372 nan 8.290 nan 0.000 0.480 235 I N 0.216 120.953 120.570 0.279 0.000 2.433 235 I HA 0.364 4.535 4.170 0.002 0.000 0.292 235 I C -0.978 175.101 176.117 -0.064 0.000 1.001 235 I CA -0.792 60.566 61.300 0.096 0.000 1.119 235 I CB 2.152 40.092 38.000 -0.100 0.000 1.289 235 I HN 0.255 nan 8.210 nan 0.000 0.438 236 L N 7.839 128.759 121.223 -0.505 0.000 2.262 236 L HA 0.513 4.853 4.340 0.002 0.000 0.288 236 L C -0.596 175.997 176.870 -0.461 0.000 1.035 236 L CA -0.038 54.336 54.840 -0.777 0.000 0.820 236 L CB 0.955 42.077 42.059 -1.562 0.000 1.204 236 L HN 0.503 nan 8.230 nan 0.000 0.424 237 I N 4.272 124.683 120.570 -0.265 0.000 2.315 237 I HA 0.394 4.565 4.170 0.002 0.000 0.291 237 I C -0.103 175.961 176.117 -0.089 0.000 1.006 237 I CA 0.277 61.452 61.300 -0.209 0.000 1.265 237 I CB 1.029 38.891 38.000 -0.230 0.000 1.387 237 I HN 0.717 nan 8.210 nan 0.000 0.475 238 S N 4.402 120.085 115.700 -0.028 0.000 2.689 238 S HA 0.989 5.460 4.470 0.002 0.000 0.306 238 S C -0.076 174.604 174.600 0.132 0.000 1.104 238 S CA 0.374 58.664 58.200 0.151 0.000 0.973 238 S CB 1.506 64.928 63.200 0.371 0.000 1.121 238 S HN 1.214 nan 8.310 nan 0.000 0.523 239 G N 1.693 110.591 108.800 0.163 0.000 2.416 239 G HA2 -0.073 3.887 3.960 0.002 0.000 0.203 239 G HA3 -0.073 3.887 3.960 0.002 0.000 0.203 239 G C -0.439 174.499 174.900 0.063 0.000 1.227 239 G CA 0.332 45.573 45.100 0.236 0.000 1.041 239 G HN 0.813 nan 8.290 nan 0.000 0.546 240 H N 0.004 119.142 119.070 0.114 0.000 3.457 240 H HA 0.311 4.867 4.556 0.001 0.000 0.255 240 H C 0.576 175.851 175.328 -0.089 0.000 1.082 240 H CA 0.232 56.281 56.048 0.003 0.000 1.189 240 H CB 0.569 30.300 29.762 -0.051 0.000 1.511 240 H HN 0.426 nan 8.280 nan 0.000 0.527 241 D N 1.989 122.494 120.400 0.176 0.000 2.349 241 D HA -0.015 4.626 4.640 0.002 0.000 0.266 241 D C 1.002 177.333 176.300 0.052 0.000 1.293 241 D CA 0.084 54.201 54.000 0.194 0.000 0.926 241 D CB 0.804 41.809 40.800 0.343 0.000 1.090 241 D HN 0.316 nan 8.370 nan 0.000 0.502 242 L N 3.653 124.897 121.223 0.035 0.000 2.217 242 L HA -0.101 4.240 4.340 0.002 0.000 0.211 242 L C 2.448 179.317 176.870 -0.001 0.000 1.107 242 L CA 0.333 55.115 54.840 -0.096 0.000 0.783 242 L CB -0.248 41.788 42.059 -0.040 0.000 0.919 242 L HN 0.283 nan 8.230 nan 0.000 0.442 243 R N 0.795 121.414 120.500 0.198 0.000 2.096 243 R HA -0.158 4.183 4.340 0.002 0.000 0.235 243 R C 1.702 178.080 176.300 0.130 0.000 1.127 243 R CA 1.609 57.859 56.100 0.250 0.000 0.968 243 R CB -0.425 30.021 30.300 0.244 0.000 0.861 243 R HN 0.239 nan 8.270 nan 0.000 0.440 244 D N 0.094 120.544 120.400 0.083 0.000 2.144 244 D HA -0.148 4.493 4.640 0.002 0.000 0.200 244 D C 1.797 178.049 176.300 -0.079 0.000 0.978 244 D CA 1.183 55.233 54.000 0.082 0.000 0.833 244 D CB -0.277 40.570 40.800 0.079 0.000 0.961 244 D HN 0.221 nan 8.370 nan 0.000 0.470 245 L N 1.302 122.373 121.223 -0.253 0.000 2.083 245 L HA -0.147 4.194 4.340 0.002 0.000 0.209 245 L C 2.076 178.666 176.870 -0.467 0.000 1.083 245 L CA 1.786 56.323 54.840 -0.505 0.000 0.752 245 L CB -0.426 41.125 42.059 -0.847 0.000 0.899 245 L HN -0.020 nan 8.230 nan 0.000 0.433 246 E N -0.636 119.422 120.200 -0.235 0.000 2.051 246 E HA -0.269 4.082 4.350 0.002 0.000 0.192 246 E C 2.117 178.704 176.600 -0.022 0.000 0.991 246 E CA 1.897 58.290 56.400 -0.012 0.000 0.799 246 E CB -0.199 29.648 29.700 0.245 0.000 0.748 246 E HN 0.606 nan 8.360 nan 0.000 0.449 247 M N 0.111 119.742 119.600 0.052 0.000 2.200 247 M HA -0.102 4.379 4.480 0.002 0.000 0.265 247 M C 2.425 178.805 176.300 0.134 0.000 1.066 247 M CA 0.678 56.045 55.300 0.110 0.000 1.127 247 M CB -0.144 32.533 32.600 0.128 0.000 1.379 247 M HN 0.207 nan 8.290 nan 0.000 0.420 248 L N 0.744 121.990 121.223 0.038 0.000 2.083 248 L HA -0.121 4.220 4.340 0.002 0.000 0.209 248 L C 2.012 178.778 176.870 -0.174 0.000 1.083 248 L CA 1.748 56.472 54.840 -0.193 0.000 0.752 248 L CB -0.452 41.227 42.059 -0.633 0.000 0.899 248 L HN 0.245 nan 8.230 nan 0.000 0.433 249 L N -0.889 120.153 121.223 -0.300 0.000 2.093 249 L HA -0.180 4.161 4.340 0.002 0.000 0.208 249 L C 2.508 179.266 176.870 -0.187 0.000 1.085 249 L CA 1.247 55.846 54.840 -0.402 0.000 0.755 249 L CB -0.471 40.942 42.059 -1.077 0.000 0.904 249 L HN 0.237 nan 8.230 nan 0.000 0.435 250 K N -0.426 119.900 120.400 -0.124 0.000 2.217 250 K HA -0.148 4.173 4.320 0.002 0.000 0.202 250 K C 2.076 178.730 176.600 0.091 0.000 1.051 250 K CA 0.980 57.315 56.287 0.080 0.000 0.952 250 K CB 0.019 32.595 32.500 0.126 0.000 0.736 250 K HN 0.395 nan 8.250 nan 0.000 0.453 251 Q N -0.290 119.551 119.800 0.069 0.000 2.269 251 Q HA -0.055 4.286 4.340 0.002 0.000 0.201 251 Q C 1.837 177.849 176.000 0.019 0.000 0.946 251 Q CA 1.494 57.341 55.803 0.074 0.000 0.877 251 Q CB 0.308 29.123 28.738 0.129 0.000 0.963 251 Q HN 0.403 nan 8.270 nan 0.000 0.472 252 T N -2.036 112.509 114.554 -0.015 0.000 3.088 252 T HA -0.032 4.319 4.350 0.002 0.000 0.259 252 T C 0.630 175.142 174.700 -0.314 0.000 1.122 252 T CA -0.028 62.008 62.100 -0.107 0.000 1.095 252 T CB 0.009 68.846 68.868 -0.052 0.000 0.930 252 T HN 0.019 nan 8.240 nan 0.000 0.508 253 E N 1.827 121.887 120.200 -0.233 0.000 2.585 253 E HA 0.344 4.695 4.350 0.002 0.000 0.252 253 E C 1.265 177.774 176.600 -0.151 0.000 0.981 253 E CA 1.006 57.268 56.400 -0.230 0.000 0.943 253 E CB -0.745 29.007 29.700 0.088 0.000 0.923 253 E HN 0.498 nan 8.360 nan 0.000 0.486 254 G N 3.441 112.137 108.800 -0.174 0.000 2.198 254 G HA2 -0.312 3.649 3.960 0.002 0.000 0.260 254 G HA3 -0.312 3.649 3.960 0.002 0.000 0.260 254 G C 0.712 175.569 174.900 -0.072 0.000 1.025 254 G CA 0.876 45.928 45.100 -0.080 0.000 0.769 254 G HN 0.837 nan 8.290 nan 0.000 0.507 255 T N -4.287 110.203 114.554 -0.106 0.000 2.975 255 T HA 0.485 4.836 4.350 0.002 0.000 0.257 255 T C 2.215 176.886 174.700 -0.048 0.000 1.003 255 T CA 1.565 63.627 62.100 -0.063 0.000 0.932 255 T CB 0.722 69.554 68.868 -0.060 0.000 1.087 255 T HN 2.102 nan 8.240 nan 0.000 0.512 256 G N 0.939 109.705 108.800 -0.056 0.000 2.175 256 G HA2 -0.202 3.759 3.960 0.002 0.000 0.244 256 G HA3 -0.202 3.759 3.960 0.002 0.000 0.244 256 G C -0.023 174.872 174.900 -0.009 0.000 0.982 256 G CA -0.094 44.992 45.100 -0.023 0.000 0.641 256 G HN 0.751 nan 8.290 nan 0.000 0.527 257 V N 2.169 122.070 119.914 -0.022 0.000 2.364 257 V HA 0.478 4.599 4.120 0.002 0.000 0.272 257 V C 0.079 176.221 176.094 0.080 0.000 1.036 257 V CA -0.876 61.433 62.300 0.016 0.000 0.880 257 V CB 1.448 33.267 31.823 -0.006 0.000 0.991 257 V HN 0.240 nan 8.190 nan 0.000 0.460 258 D N 3.026 123.519 120.400 0.153 0.000 2.383 258 D HA 0.515 5.156 4.640 0.002 0.000 0.248 258 D C -0.313 176.147 176.300 0.268 0.000 1.170 258 D CA -0.084 54.053 54.000 0.228 0.000 0.977 258 D CB 1.825 42.764 40.800 0.231 0.000 1.120 258 D HN 0.277 nan 8.370 nan 0.000 0.481 259 V N 1.373 121.408 119.914 0.201 0.000 2.588 259 V HA 0.346 4.467 4.120 0.002 0.000 0.304 259 V C -1.040 175.140 176.094 0.144 0.000 1.042 259 V CA -0.687 61.733 62.300 0.200 0.000 0.877 259 V CB 1.046 32.917 31.823 0.079 0.000 0.996 259 V HN 0.381 nan 8.190 nan 0.000 0.425 260 Y N 1.403 121.739 120.300 0.060 0.000 2.598 260 Y HA 0.743 5.294 4.550 0.002 0.000 0.340 260 Y C 0.693 176.584 175.900 -0.016 0.000 1.038 260 Y CA -0.947 57.176 58.100 0.038 0.000 1.100 260 Y CB 2.153 40.620 38.460 0.012 0.000 1.281 260 Y HN 0.690 nan 8.280 nan 0.000 0.488 261 T N -1.601 113.078 114.554 0.208 0.000 2.918 261 T HA 0.468 4.819 4.350 0.002 0.000 0.286 261 T C -1.289 173.518 174.700 0.179 0.000 1.026 261 T CA -0.642 61.527 62.100 0.115 0.000 1.031 261 T CB 1.781 70.683 68.868 0.058 0.000 1.046 261 T HN 0.802 nan 8.240 nan 0.000 0.479 262 H N 0.972 120.056 119.070 0.023 0.000 2.865 262 H HA 0.453 5.009 4.556 0.001 0.000 0.362 262 H C 0.444 175.799 175.328 0.045 0.000 1.114 262 H CA 0.400 56.477 56.048 0.049 0.000 1.208 262 H CB 2.016 31.830 29.762 0.086 0.000 1.727 262 H HN 0.950 nan 8.280 nan 0.000 0.534 263 S N 2.649 117.976 115.700 -0.621 0.000 4.150 263 S HA -0.258 4.213 4.470 0.002 0.000 0.575 263 S C 1.164 175.771 174.600 0.012 0.000 1.878 263 S CA 1.626 59.581 58.200 -0.409 0.000 4.245 263 S CB -1.167 61.784 63.200 -0.415 0.000 0.231 263 S HN 0.866 nan 8.310 nan 0.000 0.469 264 E N 0.743 120.911 120.200 -0.054 0.000 2.463 264 E HA 0.107 4.458 4.350 0.002 0.000 0.191 264 E C 1.019 177.524 176.600 -0.158 0.000 1.083 264 E CA 0.191 56.501 56.400 -0.150 0.000 0.872 264 E CB -0.071 29.281 29.700 -0.582 0.000 0.966 264 E HN 0.421 nan 8.360 nan 0.000 0.491 265 M N -0.001 119.550 119.600 -0.082 0.000 2.371 265 M HA 0.050 4.531 4.480 0.002 0.000 0.246 265 M C 1.663 177.911 176.300 -0.087 0.000 1.103 265 M CA -0.015 55.230 55.300 -0.092 0.000 1.010 265 M CB -0.233 32.319 32.600 -0.080 0.000 1.457 265 M HN 0.107 nan 8.290 nan 0.000 0.486 266 L N 2.206 123.415 121.223 -0.024 0.000 2.046 266 L HA -0.010 4.330 4.340 0.002 0.000 0.208 266 L C -1.004 175.733 176.870 -0.223 0.000 1.077 266 L CA 2.296 57.137 54.840 0.001 0.000 0.747 266 L CB -1.733 40.361 42.059 0.058 0.000 0.896 266 L HN 0.065 nan 8.230 nan 0.000 0.432 267 P HA -0.107 nan 4.420 nan 0.000 0.223 267 P C 1.473 178.712 177.300 -0.101 0.000 1.144 267 P CA 1.483 64.342 63.100 -0.402 0.000 0.783 267 P CB -0.254 31.518 31.700 0.120 0.000 0.771 268 A N -0.609 122.180 122.820 -0.051 0.000 2.024 268 A HA -0.243 4.078 4.320 0.002 0.000 0.220 268 A C 1.897 179.635 177.584 0.255 0.000 1.164 268 A CA 1.400 53.464 52.037 0.045 0.000 0.643 268 A CB -1.491 17.288 19.000 -0.370 0.000 0.806 268 A HN 0.273 nan 8.150 nan 0.000 0.451 269 H N -1.961 117.175 119.070 0.109 0.000 2.521 269 H HA -0.073 4.484 4.556 0.001 0.000 0.286 269 H C 1.206 176.695 175.328 0.269 0.000 1.034 269 H CA 1.272 57.406 56.048 0.143 0.000 1.278 269 H CB -0.181 29.495 29.762 -0.143 0.000 1.386 269 H HN 0.829 nan 8.280 nan 0.000 0.567 270 Y N -0.919 119.575 120.300 0.324 0.000 2.544 270 Y HA -0.026 4.525 4.550 0.001 0.000 0.286 270 Y C 0.234 176.140 175.900 0.010 0.000 1.141 270 Y CA -0.496 57.660 58.100 0.093 0.000 1.299 270 Y CB 0.154 38.587 38.460 -0.045 0.000 1.030 270 Y HN 0.005 nan 8.280 nan 0.000 0.543 271 Y N 1.001 121.503 120.300 0.336 0.000 2.304 271 Y HA 0.174 4.725 4.550 0.001 0.000 0.328 271 Y C -1.640 174.339 175.900 0.131 0.000 1.123 271 Y CA -3.010 55.215 58.100 0.208 0.000 1.218 271 Y CB 0.498 39.060 38.460 0.170 0.000 1.207 271 Y HN -0.142 nan 8.280 nan 0.000 0.495 272 P HA -0.169 nan 4.420 nan 0.000 0.220 272 P C 1.079 178.402 177.300 0.039 0.000 1.148 272 P CA 1.882 65.042 63.100 0.099 0.000 0.803 272 P CB 0.274 32.010 31.700 0.060 0.000 0.782 273 A N -0.984 121.802 122.820 -0.055 0.000 1.902 273 A HA -0.157 4.164 4.320 0.002 0.000 0.217 273 A C 1.789 179.264 177.584 -0.183 0.000 1.181 273 A CA 1.421 53.339 52.037 -0.198 0.000 0.623 273 A CB -1.762 17.050 19.000 -0.314 0.000 0.818 273 A HN 0.185 nan 8.150 nan 0.000 0.443 274 F N -0.408 119.625 119.950 0.138 0.000 2.743 274 F HA 0.092 4.620 4.527 0.001 0.000 0.297 274 F C 1.984 177.954 175.800 0.284 0.000 1.131 274 F CA 0.484 58.557 58.000 0.121 0.000 1.426 274 F CB 0.147 39.047 39.000 -0.168 0.000 1.116 274 F HN 0.073 nan 8.300 nan 0.000 0.583 275 K N 0.762 121.375 120.400 0.356 0.000 2.486 275 K HA -0.040 4.281 4.320 0.002 0.000 0.194 275 K C 2.117 178.809 176.600 0.155 0.000 1.033 275 K CA 0.790 57.254 56.287 0.295 0.000 1.004 275 K CB -0.156 32.467 32.500 0.205 0.000 0.798 275 K HN 0.260 nan 8.250 nan 0.000 0.495 276 K N 0.646 121.058 120.400 0.019 0.000 2.426 276 K HA 0.008 4.329 4.320 0.002 0.000 0.193 276 K C 0.085 176.566 176.600 -0.197 0.000 1.028 276 K CA 0.513 56.720 56.287 -0.133 0.000 1.047 276 K CB -0.457 31.884 32.500 -0.265 0.000 0.821 276 K HN 0.126 nan 8.250 nan 0.000 0.513 277 Y N 0.257 120.600 120.300 0.071 0.000 2.404 277 Y HA 0.392 4.943 4.550 0.001 0.000 0.344 277 Y C 1.735 177.649 175.900 0.025 0.000 0.995 277 Y CA -0.547 57.550 58.100 -0.005 0.000 1.201 277 Y CB 1.520 39.858 38.460 -0.204 0.000 1.151 277 Y HN 0.154 nan 8.280 nan 0.000 0.517 278 A N 2.812 125.753 122.820 0.202 0.000 1.902 278 A HA -0.201 4.120 4.320 0.002 0.000 0.217 278 A C 1.830 179.519 177.584 0.175 0.000 1.181 278 A CA 1.674 53.816 52.037 0.174 0.000 0.623 278 A CB -0.763 18.341 19.000 0.174 0.000 0.818 278 A HN 0.931 nan 8.150 nan 0.000 0.443 279 H N -2.751 116.420 119.070 0.168 0.000 2.553 279 H HA 0.082 4.639 4.556 0.002 0.000 0.269 279 H C -0.196 175.221 175.328 0.148 0.000 1.011 279 H CA -0.218 55.900 56.048 0.117 0.000 1.150 279 H CB -0.627 29.190 29.762 0.091 0.000 1.339 279 H HN 0.306 nan 8.280 nan 0.000 0.604 280 F N 3.173 122.970 119.950 -0.255 0.000 2.404 280 F HA 0.314 4.842 4.527 0.001 0.000 0.359 280 F C 0.042 175.759 175.800 -0.138 0.000 1.134 280 F CA -1.346 56.519 58.000 -0.225 0.000 1.160 280 F CB 0.529 39.442 39.000 -0.144 0.000 1.186 280 F HN -0.163 nan 8.300 nan 0.000 0.526 281 K N 3.207 123.380 120.400 -0.378 0.000 2.868 281 K HA 0.597 4.918 4.320 0.002 0.000 0.304 281 K C 0.801 177.058 176.600 -0.572 0.000 1.007 281 K CA -0.042 55.903 56.287 -0.570 0.000 1.123 281 K CB -0.409 31.450 32.500 -1.068 0.000 1.408 281 K HN 0.635 nan 8.250 nan 0.000 0.522 282 G N -0.343 108.186 108.800 -0.452 0.000 2.509 282 G HA2 0.140 4.100 3.960 0.002 0.000 0.269 282 G HA3 0.140 4.100 3.960 0.002 0.000 0.269 282 G C -0.725 174.145 174.900 -0.050 0.000 1.416 282 G CA -0.249 44.645 45.100 -0.344 0.000 1.052 282 G HN 0.460 nan 8.290 nan 0.000 0.542 283 N N -1.702 116.992 118.700 -0.010 0.000 2.421 283 N HA 0.380 5.121 4.740 0.002 0.000 0.285 283 N C -1.602 174.055 175.510 0.245 0.000 1.027 283 N CA -0.536 52.619 53.050 0.176 0.000 0.918 283 N CB 1.078 39.628 38.487 0.105 0.000 1.152 283 N HN 0.391 nan 8.380 nan 0.000 0.485 284 Y N 3.710 124.105 120.300 0.158 0.000 2.360 284 Y HA 0.555 5.106 4.550 0.002 0.000 0.337 284 Y C 0.866 176.811 175.900 0.073 0.000 1.039 284 Y CA 0.721 58.889 58.100 0.114 0.000 1.109 284 Y CB 0.901 39.401 38.460 0.066 0.000 1.201 284 Y HN 0.871 nan 8.280 nan 0.000 0.458 285 G N 4.600 113.173 108.800 -0.379 0.000 2.645 285 G HA2 -0.267 3.693 3.960 0.002 0.000 0.239 285 G HA3 -0.267 3.693 3.960 0.002 0.000 0.239 285 G C -0.633 174.061 174.900 -0.343 0.000 1.331 285 G CA 0.002 44.908 45.100 -0.322 0.000 0.890 285 G HN 0.783 nan 8.290 nan 0.000 0.572 286 N N -0.411 117.954 118.700 -0.557 0.000 3.357 286 N HA 0.650 5.391 4.740 0.002 0.000 0.359 286 N C 0.914 175.536 175.510 -1.480 0.000 1.477 286 N CA -0.023 52.425 53.050 -1.003 0.000 0.645 286 N CB 0.196 38.299 38.487 -0.640 0.000 1.703 286 N HN 1.347 nan 8.380 nan 0.000 0.597 287 A N 0.915 122.892 122.820 -1.405 0.000 2.455 287 A HA -0.030 4.291 4.320 0.002 0.000 0.244 287 A C 1.390 178.509 177.584 -0.776 0.000 1.099 287 A CA -0.040 51.453 52.037 -0.907 0.000 0.786 287 A CB -0.493 18.281 19.000 -0.375 0.000 1.051 287 A HN 0.853 nan 8.150 nan 0.000 0.508 288 W N 0.540 121.646 121.300 -0.324 0.000 2.350 288 W HA -0.168 4.492 4.660 0.001 0.000 0.289 288 W C 1.525 177.953 176.519 -0.152 0.000 1.215 288 W CA 1.323 58.579 57.345 -0.148 0.000 1.236 288 W CB -1.002 28.473 29.460 0.026 0.000 1.130 288 W HN 0.875 nan 8.180 nan 0.000 0.541 289 W N 1.936 122.328 121.300 -1.513 0.000 2.961 289 W HA 0.145 4.806 4.660 0.002 0.000 0.240 289 W C 0.793 176.941 176.519 -0.619 0.000 1.305 289 W CA 0.396 56.935 57.345 -1.343 0.000 1.465 289 W CB -1.186 27.258 29.460 -1.693 0.000 1.135 289 W HN 0.012 nan 8.180 nan 0.000 0.688 290 K N 1.023 120.885 120.400 -0.897 0.000 2.358 290 K HA -0.036 4.285 4.320 0.002 0.000 0.200 290 K C 2.165 178.464 176.600 -0.503 0.000 1.030 290 K CA 0.321 56.171 56.287 -0.728 0.000 1.097 290 K CB 0.162 32.098 32.500 -0.940 0.000 0.862 290 K HN 0.233 nan 8.250 nan 0.000 0.534 291 Q N 1.279 120.737 119.800 -0.570 0.000 2.152 291 Q HA -0.207 4.134 4.340 0.002 0.000 0.206 291 Q C 1.335 176.974 176.000 -0.602 0.000 0.985 291 Q CA 1.418 56.659 55.803 -0.937 0.000 0.863 291 Q CB -0.389 27.340 28.738 -1.681 0.000 0.904 291 Q HN 0.114 nan 8.270 nan 0.000 0.422 292 K N 0.299 120.547 120.400 -0.254 0.000 2.218 292 K HA -0.192 4.129 4.320 0.002 0.000 0.205 292 K C 1.621 178.239 176.600 0.030 0.000 1.046 292 K CA 1.796 58.112 56.287 0.047 0.000 0.933 292 K CB 0.101 32.645 32.500 0.074 0.000 0.728 292 K HN 0.314 nan 8.250 nan 0.000 0.454 293 E N 0.082 120.218 120.200 -0.108 0.000 2.110 293 E HA -0.031 4.320 4.350 0.002 0.000 0.193 293 E C 1.652 178.206 176.600 -0.075 0.000 0.950 293 E CA 0.684 57.042 56.400 -0.070 0.000 0.840 293 E CB 0.133 29.773 29.700 -0.101 0.000 0.809 293 E HN 0.204 nan 8.360 nan 0.000 0.465 294 E N -0.116 120.000 120.200 -0.140 0.000 2.106 294 E HA -0.127 4.224 4.350 0.002 0.000 0.192 294 E C 1.491 178.173 176.600 0.136 0.000 0.984 294 E CA 0.658 57.061 56.400 0.006 0.000 0.806 294 E CB -0.072 29.585 29.700 -0.071 0.000 0.750 294 E HN 0.134 nan 8.360 nan 0.000 0.458 295 F N 1.351 121.077 119.950 -0.373 0.000 2.186 295 F HA -0.100 4.428 4.527 0.002 0.000 0.299 295 F C 2.309 177.824 175.800 -0.475 0.000 1.090 295 F CA 0.993 58.642 58.000 -0.583 0.000 1.307 295 F CB -0.644 37.734 39.000 -1.036 0.000 1.019 295 F HN 0.083 nan 8.300 nan 0.000 0.489 296 E N 0.318 120.391 120.200 -0.212 0.000 2.028 296 E HA -0.187 4.163 4.350 0.002 0.000 0.191 296 E C 2.220 178.847 176.600 0.045 0.000 0.988 296 E CA 1.703 58.112 56.400 0.016 0.000 0.799 296 E CB -0.073 29.734 29.700 0.178 0.000 0.755 296 E HN 0.326 nan 8.360 nan 0.000 0.447 297 S N -0.098 115.645 115.700 0.071 0.000 2.507 297 S HA -0.145 4.326 4.470 0.002 0.000 0.235 297 S C 1.706 176.336 174.600 0.049 0.000 0.988 297 S CA 0.466 58.717 58.200 0.084 0.000 0.944 297 S CB -0.466 62.813 63.200 0.132 0.000 0.762 297 S HN 0.397 nan 8.310 nan 0.000 0.526 298 F N 3.180 123.020 119.950 -0.185 0.000 2.407 298 F HA 0.015 4.543 4.527 0.001 0.000 0.299 298 F C 1.168 176.741 175.800 -0.378 0.000 1.097 298 F CA 1.055 58.735 58.000 -0.535 0.000 1.422 298 F CB -0.351 38.235 39.000 -0.691 0.000 1.067 298 F HN 0.190 nan 8.300 nan 0.000 0.539 299 N N -1.055 117.474 118.700 -0.285 0.000 2.804 299 N HA -0.205 4.536 4.740 0.002 0.000 0.220 299 N C 0.837 176.160 175.510 -0.311 0.000 0.878 299 N CA 1.373 54.252 53.050 -0.286 0.000 1.387 299 N CB -1.806 36.485 38.487 -0.327 0.000 0.940 299 N HN 0.484 nan 8.380 nan 0.000 0.592 300 G N 1.165 109.647 108.800 -0.530 0.000 2.535 300 G HA2 0.601 4.562 3.960 0.002 0.000 0.303 300 G HA3 0.601 4.562 3.960 0.002 0.000 0.303 300 G C -2.701 172.198 174.900 -0.001 0.000 1.237 300 G CA -0.809 44.118 45.100 -0.288 0.000 0.986 300 G HN -0.019 nan 8.290 nan 0.000 0.494 301 P HA 0.228 nan 4.420 nan 0.000 0.269 301 P C -0.569 176.649 177.300 -0.138 0.000 1.209 301 P CA -0.200 62.822 63.100 -0.131 0.000 0.776 301 P CB 1.074 32.631 31.700 -0.238 0.000 0.876 302 V N 4.190 123.975 119.914 -0.215 0.000 2.409 302 V HA 0.280 4.401 4.120 0.002 0.000 0.291 302 V C -0.174 175.741 176.094 -0.298 0.000 1.020 302 V CA -0.615 61.387 62.300 -0.496 0.000 0.848 302 V CB 1.433 32.659 31.823 -0.995 0.000 0.990 302 V HN 0.343 nan 8.190 nan 0.000 0.430 303 L N 6.417 127.459 121.223 -0.301 0.000 2.272 303 L HA 0.513 4.854 4.340 0.002 0.000 0.289 303 L C -0.630 176.171 176.870 -0.116 0.000 1.032 303 L CA -0.007 54.734 54.840 -0.165 0.000 0.810 303 L CB 1.043 42.951 42.059 -0.252 0.000 1.205 303 L HN 0.421 nan 8.230 nan 0.000 0.422 304 L N 5.647 126.865 121.223 -0.008 0.000 2.255 304 L HA 0.300 4.641 4.340 0.002 0.000 0.289 304 L C 1.291 178.210 176.870 0.081 0.000 1.046 304 L CA 0.055 54.938 54.840 0.071 0.000 0.816 304 L CB 1.125 43.267 42.059 0.139 0.000 1.197 304 L HN 0.872 nan 8.230 nan 0.000 0.427 305 T N -1.538 113.072 114.554 0.093 0.000 3.051 305 T HA 0.076 4.426 4.350 0.002 0.000 0.255 305 T C 0.815 175.593 174.700 0.130 0.000 1.085 305 T CA 0.666 62.830 62.100 0.107 0.000 1.109 305 T CB 0.315 69.251 68.868 0.115 0.000 0.921 305 T HN 0.651 nan 8.240 nan 0.000 0.488 306 T N -0.012 114.643 114.554 0.168 0.000 2.653 306 T HA 0.353 4.704 4.350 0.002 0.000 0.306 306 T C -1.512 173.305 174.700 0.195 0.000 1.426 306 T CA -1.032 61.136 62.100 0.115 0.000 1.008 306 T CB 0.681 69.760 68.868 0.352 0.000 1.692 306 T HN 0.340 nan 8.240 nan 0.000 0.483 307 N N -0.194 118.624 118.700 0.197 0.000 2.482 307 N HA 0.290 5.030 4.740 0.002 0.000 0.260 307 N C -0.770 174.922 175.510 0.304 0.000 1.236 307 N CA -0.358 52.824 53.050 0.220 0.000 0.938 307 N CB 0.496 39.088 38.487 0.175 0.000 1.128 307 N HN 0.749 nan 8.380 nan 0.000 0.448 308 C N 1.722 121.161 119.300 0.232 0.000 2.345 308 C HA 0.499 4.960 4.460 0.002 0.000 0.323 308 C C -0.101 175.043 174.990 0.256 0.000 1.276 308 C CA -0.800 58.278 59.018 0.100 0.000 1.543 308 C CB 0.016 27.542 27.740 -0.357 0.000 2.211 308 C HN 0.724 nan 8.230 nan 0.000 0.493 309 L N 6.279 127.675 121.223 0.288 0.000 2.322 309 L HA 0.850 5.191 4.340 0.002 0.000 0.281 309 L C -0.184 176.854 176.870 0.279 0.000 1.014 309 L CA -0.038 54.989 54.840 0.311 0.000 0.815 309 L CB 1.556 43.808 42.059 0.322 0.000 1.247 309 L HN 0.613 nan 8.230 nan 0.000 0.421 310 V N 3.010 123.027 119.914 0.171 0.000 2.630 310 V HA 0.746 4.867 4.120 0.002 0.000 0.305 310 V C -2.455 173.513 176.094 -0.210 0.000 1.046 310 V CA -2.443 59.899 62.300 0.069 0.000 0.934 310 V CB 1.024 32.952 31.823 0.175 0.000 1.003 310 V HN 0.781 nan 8.190 nan 0.000 0.451 311 P HA 0.137 nan 4.420 nan 0.000 0.256 311 P C -2.339 174.675 177.300 -0.476 0.000 1.173 311 P CA -0.100 62.606 63.100 -0.657 0.000 0.768 311 P CB -0.305 31.218 31.700 -0.294 0.000 0.758 312 P HA 0.140 nan 4.420 nan 0.000 0.271 312 P C -0.339 176.632 177.300 -0.549 0.000 1.244 312 P CA -0.004 62.803 63.100 -0.487 0.000 0.793 312 P CB 0.506 31.911 31.700 -0.491 0.000 0.984 313 K N 0.615 120.502 120.400 -0.854 0.000 2.138 313 K HA 0.212 4.533 4.320 0.002 0.000 0.263 313 K C 0.811 177.114 176.600 -0.494 0.000 0.965 313 K CA -0.480 55.496 56.287 -0.518 0.000 0.868 313 K CB -0.425 31.870 32.500 -0.343 0.000 1.083 313 K HN 0.392 nan 8.250 nan 0.000 0.443 314 D N 0.470 120.719 120.400 -0.252 0.000 2.239 314 D HA -0.207 4.434 4.640 0.002 0.000 0.202 314 D C 1.889 178.097 176.300 -0.153 0.000 0.993 314 D CA 2.059 55.959 54.000 -0.167 0.000 0.874 314 D CB -0.090 40.657 40.800 -0.088 0.000 0.922 314 D HN 0.599 nan 8.370 nan 0.000 0.464 315 S N 0.128 115.734 115.700 -0.155 0.000 2.353 315 S HA -0.217 4.254 4.470 0.002 0.000 0.222 315 S C 1.805 176.404 174.600 -0.002 0.000 1.035 315 S CA 1.453 59.621 58.200 -0.053 0.000 1.025 315 S CB -0.267 62.942 63.200 0.016 0.000 0.902 315 S HN 0.492 nan 8.310 nan 0.000 0.440 316 Y N -0.113 120.186 120.300 -0.001 0.000 2.481 316 Y HA 0.549 5.100 4.550 0.001 0.000 0.247 316 Y C 1.642 177.534 175.900 -0.014 0.000 1.151 316 Y CA -0.380 57.721 58.100 0.001 0.000 1.238 316 Y CB -0.508 37.965 38.460 0.022 0.000 1.179 316 Y HN 0.138 nan 8.280 nan 0.000 0.524 317 K N 1.922 122.159 120.400 -0.272 0.000 2.044 317 K HA -0.246 4.075 4.320 0.002 0.000 0.210 317 K C 1.332 177.911 176.600 -0.034 0.000 1.049 317 K CA 2.419 58.599 56.287 -0.179 0.000 0.927 317 K CB -0.364 32.014 32.500 -0.203 0.000 0.713 317 K HN 0.594 nan 8.250 nan 0.000 0.443 318 D N 0.662 121.060 120.400 -0.003 0.000 2.203 318 D HA -0.244 4.397 4.640 0.002 0.000 0.199 318 D C 1.130 177.505 176.300 0.124 0.000 0.997 318 D CA 1.426 55.456 54.000 0.049 0.000 0.863 318 D CB -0.330 40.516 40.800 0.076 0.000 0.928 318 D HN 0.555 nan 8.370 nan 0.000 0.458 319 R N 0.370 120.943 120.500 0.122 0.000 2.586 319 R HA 0.403 4.744 4.340 0.002 0.000 0.336 319 R C -0.300 176.058 176.300 0.097 0.000 1.060 319 R CA -0.349 55.821 56.100 0.117 0.000 1.079 319 R CB 0.403 30.679 30.300 -0.041 0.000 1.317 319 R HN -0.089 nan 8.270 nan 0.000 0.568 320 V N 2.054 121.981 119.914 0.022 0.000 2.432 320 V HA 0.277 4.398 4.120 0.002 0.000 0.275 320 V C -0.924 175.129 176.094 -0.068 0.000 1.043 320 V CA -0.343 61.973 62.300 0.028 0.000 0.925 320 V CB 0.638 32.504 31.823 0.073 0.000 0.985 320 V HN 0.158 nan 8.190 nan 0.000 0.466 321 Y N 2.479 122.774 120.300 -0.009 0.000 2.350 321 Y HA 0.565 5.116 4.550 0.002 0.000 0.338 321 Y C 0.666 176.581 175.900 0.026 0.000 0.961 321 Y CA -0.738 57.378 58.100 0.027 0.000 1.100 321 Y CB 2.178 40.644 38.460 0.009 0.000 1.179 321 Y HN 0.727 nan 8.280 nan 0.000 0.454 322 T N -0.980 113.679 114.554 0.175 0.000 2.952 322 T HA 0.836 5.187 4.350 0.002 0.000 0.286 322 T C -0.291 174.367 174.700 -0.070 0.000 1.024 322 T CA -0.614 61.578 62.100 0.153 0.000 1.029 322 T CB 2.192 71.246 68.868 0.310 0.000 1.094 322 T HN 0.616 nan 8.240 nan 0.000 0.515 323 T N -1.209 113.293 114.554 -0.086 0.000 2.739 323 T HA 0.616 4.966 4.350 0.002 0.000 0.303 323 T C 0.614 175.310 174.700 -0.008 0.000 1.389 323 T CA 0.971 62.903 62.100 -0.280 0.000 1.001 323 T CB 0.811 69.632 68.868 -0.079 0.000 1.436 323 T HN 1.912 nan 8.240 nan 0.000 0.500 324 G N 1.609 110.419 108.800 0.018 0.000 2.565 324 G HA2 -0.248 3.713 3.960 0.002 0.000 0.295 324 G HA3 -0.248 3.713 3.960 0.002 0.000 0.295 324 G C 0.453 175.418 174.900 0.109 0.000 1.165 324 G CA 1.043 46.174 45.100 0.050 0.000 0.977 324 G HN 1.610 nan 8.290 nan 0.000 0.546 325 I N -0.323 120.230 120.570 -0.028 0.000 3.974 325 I HA 0.577 4.748 4.170 0.002 0.000 0.334 325 I C 0.745 176.846 176.117 -0.027 0.000 1.437 325 I CA -0.754 60.520 61.300 -0.045 0.000 1.113 325 I CB 0.203 38.117 38.000 -0.144 0.000 1.063 325 I HN 0.327 nan 8.210 nan 0.000 0.400 326 V N 1.921 121.871 119.914 0.060 0.000 2.732 326 V HA 0.818 4.939 4.120 0.002 0.000 0.297 326 V C 0.815 177.040 176.094 0.217 0.000 1.060 326 V CA 0.089 62.461 62.300 0.120 0.000 1.038 326 V CB 0.808 32.716 31.823 0.142 0.000 1.003 326 V HN 0.567 nan 8.190 nan 0.000 0.481 327 G N 2.715 111.654 108.800 0.232 0.000 2.733 327 G HA2 0.611 4.572 3.960 0.002 0.000 0.297 327 G HA3 0.611 4.572 3.960 0.002 0.000 0.297 327 G C -1.970 173.139 174.900 0.347 0.000 1.452 327 G CA -0.420 44.816 45.100 0.227 0.000 0.940 327 G HN 0.508 nan 8.290 nan 0.000 0.547 328 F N 1.425 121.460 119.950 0.141 0.000 2.605 328 F HA 0.483 5.011 4.527 0.001 0.000 0.320 328 F C 0.404 176.239 175.800 0.058 0.000 1.159 328 F CA -0.421 57.651 58.000 0.119 0.000 0.999 328 F CB 2.067 41.111 39.000 0.073 0.000 1.258 328 F HN 0.505 nan 8.300 nan 0.000 0.464 329 T N 4.448 118.809 114.554 -0.321 0.000 2.822 329 T HA 0.379 4.730 4.350 0.002 0.000 0.288 329 T C 0.947 175.682 174.700 0.058 0.000 0.991 329 T CA 1.739 63.755 62.100 -0.141 0.000 1.176 329 T CB 0.068 68.798 68.868 -0.231 0.000 0.951 329 T HN 1.241 nan 8.240 nan 0.000 0.526 330 G N 2.066 110.909 108.800 0.072 0.000 2.213 330 G HA2 -0.236 3.725 3.960 0.002 0.000 0.226 330 G HA3 -0.236 3.725 3.960 0.002 0.000 0.226 330 G C 0.335 175.285 174.900 0.083 0.000 0.992 330 G CA -0.235 44.916 45.100 0.085 0.000 0.632 330 G HN 0.824 nan 8.290 nan 0.000 0.511 331 C N 2.578 121.954 119.300 0.128 0.000 2.273 331 C HA 0.581 5.042 4.460 0.002 0.000 0.328 331 C C 0.917 175.921 174.990 0.024 0.000 1.275 331 C CA -1.118 57.937 59.018 0.062 0.000 1.704 331 C CB 0.558 28.379 27.740 0.135 0.000 2.326 331 C HN 0.467 nan 8.230 nan 0.000 0.517 332 K N 1.980 122.311 120.400 -0.115 0.000 2.550 332 K HA 0.027 4.348 4.320 0.002 0.000 0.280 332 K C -0.225 176.417 176.600 0.069 0.000 0.987 332 K CA 0.767 57.004 56.287 -0.084 0.000 1.048 332 K CB 0.178 32.490 32.500 -0.313 0.000 0.879 332 K HN 0.744 nan 8.250 nan 0.000 0.491 333 H N 2.233 121.340 119.070 0.062 0.000 2.505 333 H HA 0.326 4.883 4.556 0.002 0.000 0.338 333 H C -0.916 174.493 175.328 0.135 0.000 1.057 333 H CA -0.636 55.474 56.048 0.105 0.000 1.202 333 H CB 0.675 30.480 29.762 0.072 0.000 1.466 333 H HN 0.423 nan 8.280 nan 0.000 0.499 334 I N 8.417 128.861 120.570 -0.211 0.000 2.291 334 I HA 0.213 4.384 4.170 0.002 0.000 0.290 334 I C -2.040 173.939 176.117 -0.231 0.000 1.050 334 I CA -2.015 59.229 61.300 -0.093 0.000 1.245 334 I CB 1.066 39.091 38.000 0.041 0.000 1.405 334 I HN 0.484 nan 8.210 nan 0.000 0.478 335 P HA 0.157 nan 4.420 nan 0.000 0.265 335 P C 0.063 177.355 177.300 -0.013 0.000 1.193 335 P CA 0.549 63.679 63.100 0.049 0.000 0.765 335 P CB 0.998 32.749 31.700 0.084 0.000 0.823 336 G N 2.437 111.258 108.800 0.035 0.000 2.348 336 G HA2 0.197 4.158 3.960 0.002 0.000 0.606 336 G HA3 0.197 4.158 3.960 0.002 0.000 0.606 336 G C -0.491 174.430 174.900 0.035 0.000 1.466 336 G CA -0.124 44.985 45.100 0.015 0.000 0.950 336 G HN 0.650 nan 8.290 nan 0.000 0.657 337 E N -1.086 119.135 120.200 0.035 0.000 2.749 337 E HA 0.158 4.509 4.350 0.002 0.000 0.157 337 E C 0.852 177.476 176.600 0.040 0.000 0.887 337 E CA 0.275 56.699 56.400 0.039 0.000 1.369 337 E CB -0.233 29.492 29.700 0.041 0.000 1.005 337 E HN 1.297 nan 8.360 nan 0.000 0.469 338 I N -2.589 118.007 120.570 0.045 0.000 3.817 338 I HA 0.613 4.784 4.170 0.002 0.000 0.325 338 I C 0.979 177.141 176.117 0.076 0.000 1.550 338 I CA 0.057 61.393 61.300 0.059 0.000 1.100 338 I CB 0.843 38.874 38.000 0.051 0.000 1.216 338 I HN 0.150 nan 8.210 nan 0.000 0.481 339 G N 1.311 110.156 108.800 0.075 0.000 2.155 339 G HA2 -0.315 3.646 3.960 0.002 0.000 0.257 339 G HA3 -0.315 3.646 3.960 0.002 0.000 0.257 339 G C 0.155 175.095 174.900 0.067 0.000 0.983 339 G CA 0.756 45.908 45.100 0.087 0.000 0.676 339 G HN 0.576 nan 8.290 nan 0.000 0.528 340 E N -0.014 120.216 120.200 0.050 0.000 2.585 340 E HA 0.303 4.654 4.350 0.002 0.000 0.256 340 E C 0.866 177.490 176.600 0.040 0.000 1.383 340 E CA -0.643 55.790 56.400 0.056 0.000 1.029 340 E CB 0.092 29.821 29.700 0.049 0.000 1.044 340 E HN 0.332 nan 8.360 nan 0.000 0.595 341 H N 1.999 121.054 119.070 -0.024 0.000 3.017 341 H HA 0.112 4.669 4.556 0.002 0.000 0.276 341 H C -0.597 174.653 175.328 -0.130 0.000 1.062 341 H CA 0.342 56.354 56.048 -0.060 0.000 1.486 341 H CB -0.037 29.698 29.762 -0.044 0.000 1.507 341 H HN 0.202 nan 8.280 nan 0.000 0.508 342 K N 3.774 123.790 120.400 -0.640 0.000 2.098 342 K HA 0.121 4.442 4.320 0.002 0.000 0.258 342 K C -0.539 175.475 176.600 -0.977 0.000 0.973 342 K CA -0.832 55.054 56.287 -0.668 0.000 0.898 342 K CB 1.114 33.155 32.500 -0.766 0.000 1.057 342 K HN 0.551 nan 8.250 nan 0.000 0.447 343 D N 1.493 121.532 120.400 -0.602 0.000 2.427 343 D HA 0.171 4.811 4.640 0.002 0.000 0.226 343 D C -0.754 175.313 176.300 -0.389 0.000 1.076 343 D CA -0.432 53.343 54.000 -0.374 0.000 0.849 343 D CB 0.287 41.054 40.800 -0.055 0.000 1.052 343 D HN 0.378 nan 8.370 nan 0.000 0.515 344 F N 2.063 121.959 119.950 -0.090 0.000 2.660 344 F HA 0.083 4.611 4.527 0.001 0.000 0.297 344 F C 2.315 178.066 175.800 -0.082 0.000 1.132 344 F CA -0.418 57.516 58.000 -0.110 0.000 1.372 344 F CB 0.292 39.205 39.000 -0.144 0.000 1.003 344 F HN 0.393 nan 8.300 nan 0.000 0.524 345 S N 0.355 116.106 115.700 0.084 0.000 2.423 345 S HA -0.180 4.291 4.470 0.002 0.000 0.231 345 S C 2.188 176.820 174.600 0.053 0.000 1.014 345 S CA 1.003 59.241 58.200 0.063 0.000 0.965 345 S CB -0.223 63.007 63.200 0.049 0.000 0.785 345 S HN 0.309 nan 8.310 nan 0.000 0.495 346 A N 1.919 124.775 122.820 0.060 0.000 1.854 346 A HA 0.205 4.526 4.320 0.002 0.000 0.214 346 A C 2.240 179.852 177.584 0.047 0.000 1.192 346 A CA 1.134 53.217 52.037 0.077 0.000 0.611 346 A CB -0.921 18.157 19.000 0.131 0.000 0.832 346 A HN 0.604 nan 8.150 nan 0.000 0.442 347 I N -0.282 120.223 120.570 -0.109 0.000 2.264 347 I HA -0.241 3.930 4.170 0.002 0.000 0.248 347 I C 2.146 178.171 176.117 -0.153 0.000 1.111 347 I CA 1.443 62.507 61.300 -0.392 0.000 1.382 347 I CB -0.092 37.437 38.000 -0.785 0.000 1.060 347 I HN 0.369 nan 8.210 nan 0.000 0.418 348 I N 0.910 121.436 120.570 -0.073 0.000 2.226 348 I HA -0.266 3.905 4.170 0.002 0.000 0.245 348 I C 2.709 178.831 176.117 0.008 0.000 1.100 348 I CA 1.286 62.564 61.300 -0.037 0.000 1.374 348 I CB -0.569 37.425 38.000 -0.009 0.000 1.057 348 I HN 0.274 nan 8.210 nan 0.000 0.413 349 A N -0.475 122.367 122.820 0.037 0.000 1.972 349 A HA -0.276 4.045 4.320 0.002 0.000 0.219 349 A C 2.200 179.848 177.584 0.106 0.000 1.169 349 A CA 1.639 53.709 52.037 0.055 0.000 0.635 349 A CB -1.084 17.945 19.000 0.049 0.000 0.810 349 A HN 0.560 nan 8.150 nan 0.000 0.446 350 H N -1.034 118.037 119.070 0.002 0.000 2.428 350 H HA 0.116 4.672 4.556 0.001 0.000 0.296 350 H C 2.180 177.510 175.328 0.004 0.000 1.062 350 H CA 0.715 56.782 56.048 0.030 0.000 1.350 350 H CB 0.091 29.910 29.762 0.094 0.000 1.403 350 H HN 0.489 nan 8.280 nan 0.000 0.533 351 A N 0.970 123.820 122.820 0.050 0.000 1.968 351 A HA -0.075 4.246 4.320 0.002 0.000 0.217 351 A C 2.118 179.693 177.584 -0.015 0.000 1.169 351 A CA 0.857 52.868 52.037 -0.043 0.000 0.638 351 A CB -0.160 18.801 19.000 -0.065 0.000 0.812 351 A HN 0.348 nan 8.150 nan 0.000 0.446 352 K N -0.112 120.296 120.400 0.014 0.000 2.442 352 K HA -0.088 4.233 4.320 0.002 0.000 0.198 352 K C 1.411 178.019 176.600 0.013 0.000 1.044 352 K CA 1.495 57.787 56.287 0.007 0.000 0.948 352 K CB -0.205 32.302 32.500 0.012 0.000 0.762 352 K HN 0.706 nan 8.250 nan 0.000 0.472 353 T N -2.788 111.790 114.554 0.040 0.000 3.105 353 T HA 0.169 4.520 4.350 0.002 0.000 0.253 353 T C 0.625 175.340 174.700 0.026 0.000 1.047 353 T CA -0.586 61.539 62.100 0.042 0.000 0.944 353 T CB -0.310 68.603 68.868 0.076 0.000 1.016 353 T HN -0.033 nan 8.240 nan 0.000 0.544 354 C N 2.198 121.491 119.300 -0.012 0.000 2.401 354 C HA 0.730 5.191 4.460 0.002 0.000 0.356 354 C C -2.222 172.704 174.990 -0.105 0.000 1.192 354 C CA -1.576 57.403 59.018 -0.064 0.000 2.028 354 C CB 1.393 29.059 27.740 -0.123 0.000 2.344 354 C HN 0.337 nan 8.230 nan 0.000 0.525 355 P HA 0.383 nan 4.420 nan 0.000 0.276 355 P C -0.609 176.552 177.300 -0.230 0.000 1.252 355 P CA -0.072 62.942 63.100 -0.144 0.000 0.802 355 P CB 0.387 32.011 31.700 -0.126 0.000 1.035 356 A N 2.648 125.351 122.820 -0.195 0.000 2.429 356 A HA 0.360 4.681 4.320 0.002 0.000 0.242 356 A C -2.128 175.236 177.584 -0.367 0.000 1.088 356 A CA -0.904 50.988 52.037 -0.242 0.000 0.784 356 A CB -1.513 17.412 19.000 -0.126 0.000 1.038 356 A HN 0.414 nan 8.150 nan 0.000 0.501 357 P HA 0.178 nan 4.420 nan 0.000 0.271 357 P C -0.436 176.735 177.300 -0.214 0.000 1.216 357 P CA 0.258 63.005 63.100 -0.589 0.000 0.776 357 P CB 0.470 31.722 31.700 -0.747 0.000 0.881 358 T N 2.586 117.072 114.554 -0.114 0.000 2.729 358 T HA 0.096 4.447 4.350 0.002 0.000 0.296 358 T C 0.162 174.944 174.700 0.137 0.000 0.928 358 T CA -0.221 61.885 62.100 0.010 0.000 1.045 358 T CB -0.213 68.667 68.868 0.020 0.000 0.902 358 T HN 0.396 nan 8.240 nan 0.000 0.500 359 E N 3.411 123.666 120.200 0.093 0.000 2.366 359 E HA 0.103 4.454 4.350 0.002 0.000 0.266 359 E C 0.912 177.533 176.600 0.035 0.000 1.015 359 E CA -0.102 56.359 56.400 0.101 0.000 0.906 359 E CB 0.295 30.032 29.700 0.061 0.000 0.979 359 E HN 0.748 nan 8.360 nan 0.000 0.443 360 I N 0.384 120.932 120.570 -0.037 0.000 4.227 360 I HA 0.399 4.570 4.170 0.002 0.000 0.334 360 I C -0.015 176.034 176.117 -0.112 0.000 1.341 360 I CA -0.396 60.843 61.300 -0.101 0.000 1.123 360 I CB 0.380 38.263 38.000 -0.194 0.000 1.097 360 I HN 0.287 nan 8.210 nan 0.000 0.399 361 E N 0.976 121.118 120.200 -0.098 0.000 2.445 361 E HA 0.601 4.952 4.350 0.002 0.000 0.279 361 E C -1.251 175.330 176.600 -0.030 0.000 1.018 361 E CA -0.749 55.608 56.400 -0.073 0.000 0.816 361 E CB 2.435 32.073 29.700 -0.103 0.000 1.356 361 E HN 0.295 nan 8.360 nan 0.000 0.462 362 S N -0.435 115.252 115.700 -0.020 0.000 2.556 362 S HA 0.942 5.413 4.470 0.002 0.000 0.271 362 S C 0.086 174.682 174.600 -0.007 0.000 1.135 362 S CA -0.074 58.123 58.200 -0.004 0.000 0.858 362 S CB 2.175 65.375 63.200 -0.000 0.000 1.114 362 S HN 1.051 nan 8.310 nan 0.000 0.468 363 G N 1.128 109.926 108.800 -0.003 0.000 2.250 363 G HA2 0.365 4.325 3.960 0.002 0.000 0.196 363 G HA3 0.365 4.325 3.960 0.002 0.000 0.196 363 G C -1.454 173.441 174.900 -0.009 0.000 1.308 363 G CA 0.064 45.161 45.100 -0.005 0.000 1.207 363 G HN 1.672 nan 8.290 nan 0.000 0.505 364 E N -1.332 118.865 120.200 -0.006 0.000 2.388 364 E HA 0.628 4.979 4.350 0.002 0.000 0.281 364 E C -1.539 175.065 176.600 0.008 0.000 1.046 364 E CA -1.050 55.345 56.400 -0.009 0.000 0.825 364 E CB 1.601 31.294 29.700 -0.011 0.000 1.243 364 E HN 0.697 nan 8.360 nan 0.000 0.438 365 I N 2.253 122.831 120.570 0.013 0.000 2.441 365 I HA 0.482 4.653 4.170 0.002 0.000 0.295 365 I C -0.434 175.733 176.117 0.083 0.000 0.994 365 I CA -1.117 60.211 61.300 0.046 0.000 1.144 365 I CB 1.756 39.785 38.000 0.049 0.000 1.314 365 I HN 0.550 nan 8.210 nan 0.000 0.445 366 I N 4.469 125.099 120.570 0.101 0.000 2.441 366 I HA 0.805 4.976 4.170 0.002 0.000 0.295 366 I C 0.039 176.242 176.117 0.143 0.000 0.994 366 I CA 0.167 61.536 61.300 0.115 0.000 1.144 366 I CB 1.505 39.576 38.000 0.117 0.000 1.314 366 I HN 0.745 nan 8.210 nan 0.000 0.445 367 G N 2.964 111.749 108.800 -0.024 0.000 2.561 367 G HA2 0.502 4.463 3.960 0.002 0.000 0.310 367 G HA3 0.502 4.463 3.960 0.002 0.000 0.310 367 G C -0.093 174.116 174.900 -1.151 0.000 1.292 367 G CA -0.107 44.786 45.100 -0.344 0.000 0.811 367 G HN 1.189 nan 8.290 nan 0.000 0.482 368 G N -1.644 106.232 108.800 -1.539 0.000 2.135 368 G HA2 -0.102 3.859 3.960 0.002 0.000 0.183 368 G HA3 -0.102 3.859 3.960 0.002 0.000 0.183 368 G C 0.042 174.552 174.900 -0.650 0.000 1.004 368 G CA 0.248 44.651 45.100 -1.162 0.000 0.677 368 G HN 0.951 nan 8.290 nan 0.000 0.512 369 F N 1.923 121.693 119.950 -0.299 0.000 2.752 369 F HA 0.650 5.178 4.527 0.002 0.000 0.332 369 F C 1.306 177.045 175.800 -0.101 0.000 1.188 369 F CA -0.051 57.857 58.000 -0.153 0.000 1.296 369 F CB 0.157 39.103 39.000 -0.091 0.000 1.526 369 F HN 0.409 nan 8.300 nan 0.000 0.576 370 A N -0.262 122.537 122.820 -0.036 0.000 2.259 370 A HA 0.238 4.559 4.320 0.002 0.000 0.278 370 A C 1.500 179.043 177.584 -0.070 0.000 1.107 370 A CA -0.102 51.914 52.037 -0.036 0.000 0.828 370 A CB 0.074 19.004 19.000 -0.116 0.000 1.111 370 A HN 0.750 nan 8.150 nan 0.000 0.498 371 H N -0.210 118.867 119.070 0.012 0.000 2.431 371 H HA -0.227 4.330 4.556 0.002 0.000 0.297 371 H C 1.423 176.705 175.328 -0.077 0.000 1.115 371 H CA 2.513 58.539 56.048 -0.037 0.000 1.277 371 H CB -0.347 29.374 29.762 -0.067 0.000 1.372 371 H HN 0.701 nan 8.280 nan 0.000 0.516 372 N N -0.386 118.076 118.700 -0.397 0.000 2.135 372 N HA -0.183 4.558 4.740 0.002 0.000 0.186 372 N C 2.072 177.468 175.510 -0.190 0.000 1.027 372 N CA 1.162 54.022 53.050 -0.318 0.000 0.849 372 N CB -0.165 37.844 38.487 -0.796 0.000 1.002 372 N HN 0.443 nan 8.380 nan 0.000 0.425 373 Q N 0.166 119.856 119.800 -0.183 0.000 2.084 373 Q HA -0.033 4.308 4.340 0.002 0.000 0.202 373 Q C 1.744 177.730 176.000 -0.024 0.000 0.978 373 Q CA 1.520 57.247 55.803 -0.126 0.000 0.844 373 Q CB -0.470 28.146 28.738 -0.203 0.000 0.898 373 Q HN 0.272 nan 8.270 nan 0.000 0.426 374 V N 0.212 120.147 119.914 0.034 0.000 2.427 374 V HA -0.213 3.908 4.120 0.002 0.000 0.248 374 V C 2.143 178.267 176.094 0.050 0.000 1.051 374 V CA 1.319 63.676 62.300 0.096 0.000 1.048 374 V CB -0.537 31.345 31.823 0.099 0.000 0.666 374 V HN 0.299 nan 8.190 nan 0.000 0.456 375 L N 0.601 121.835 121.223 0.018 0.000 2.046 375 L HA -0.049 4.292 4.340 0.002 0.000 0.208 375 L C 2.457 179.326 176.870 -0.001 0.000 1.077 375 L CA 2.117 56.960 54.840 0.005 0.000 0.747 375 L CB -1.036 41.021 42.059 -0.004 0.000 0.896 375 L HN 0.296 nan 8.230 nan 0.000 0.432 376 A N -1.539 121.273 122.820 -0.014 0.000 2.259 376 A HA -0.015 4.306 4.320 0.002 0.000 0.212 376 A C 1.663 179.251 177.584 0.007 0.000 1.178 376 A CA 1.004 53.032 52.037 -0.015 0.000 0.734 376 A CB -0.542 18.437 19.000 -0.036 0.000 0.774 376 A HN 0.433 nan 8.150 nan 0.000 0.481 377 L N -2.287 118.953 121.223 0.029 0.000 3.333 377 L HA 0.240 4.581 4.340 0.002 0.000 0.299 377 L C 2.102 179.004 176.870 0.053 0.000 1.256 377 L CA 0.320 55.191 54.840 0.051 0.000 1.037 377 L CB 0.040 42.156 42.059 0.094 0.000 1.423 377 L HN 0.272 nan 8.230 nan 0.000 0.605 378 A N 1.531 124.372 122.820 0.035 0.000 1.903 378 A HA -0.289 4.031 4.320 0.002 0.000 0.219 378 A C 2.020 179.623 177.584 0.032 0.000 1.191 378 A CA 2.500 54.555 52.037 0.030 0.000 0.638 378 A CB -0.442 18.560 19.000 0.004 0.000 0.823 378 A HN 0.621 nan 8.150 nan 0.000 0.451 379 D N -0.136 120.275 120.400 0.019 0.000 2.144 379 D HA -0.121 4.520 4.640 0.002 0.000 0.199 379 D C 1.813 178.133 176.300 0.034 0.000 0.984 379 D CA 2.417 56.427 54.000 0.016 0.000 0.834 379 D CB -0.659 40.145 40.800 0.007 0.000 0.955 379 D HN 0.494 nan 8.370 nan 0.000 0.465 380 K N 1.136 121.562 120.400 0.044 0.000 2.062 380 K HA 0.114 4.435 4.320 0.002 0.000 0.205 380 K C 2.584 179.228 176.600 0.073 0.000 1.051 380 K CA 1.176 57.494 56.287 0.052 0.000 0.941 380 K CB -1.156 31.376 32.500 0.053 0.000 0.719 380 K HN 0.170 nan 8.250 nan 0.000 0.440 381 V N 1.200 121.172 119.914 0.097 0.000 2.427 381 V HA -0.161 3.960 4.120 0.002 0.000 0.248 381 V C 2.448 178.653 176.094 0.186 0.000 1.051 381 V CA 1.636 64.026 62.300 0.150 0.000 1.048 381 V CB -0.380 31.547 31.823 0.173 0.000 0.666 381 V HN 0.514 nan 8.190 nan 0.000 0.456 382 I N -0.193 120.466 120.570 0.148 0.000 2.202 382 I HA -0.193 3.978 4.170 0.002 0.000 0.242 382 I C 2.325 178.536 176.117 0.157 0.000 1.091 382 I CA 1.485 62.889 61.300 0.173 0.000 1.368 382 I CB -0.492 37.533 38.000 0.041 0.000 1.058 382 I HN 0.292 nan 8.210 nan 0.000 0.410 383 D N 1.172 121.627 120.400 0.092 0.000 2.123 383 D HA -0.173 4.468 4.640 0.002 0.000 0.196 383 D C 2.257 178.605 176.300 0.080 0.000 0.992 383 D CA 1.645 55.688 54.000 0.073 0.000 0.833 383 D CB -0.065 40.761 40.800 0.044 0.000 0.954 383 D HN 0.354 nan 8.370 nan 0.000 0.455 384 A N 0.723 123.590 122.820 0.078 0.000 1.883 384 A HA -0.159 4.161 4.320 0.002 0.000 0.217 384 A C 2.598 180.218 177.584 0.060 0.000 1.186 384 A CA 1.429 53.496 52.037 0.050 0.000 0.624 384 A CB -0.796 18.223 19.000 0.030 0.000 0.822 384 A HN 0.149 nan 8.150 nan 0.000 0.444 385 V N 0.038 120.027 119.914 0.126 0.000 2.261 385 V HA -0.283 3.838 4.120 0.002 0.000 0.246 385 V C 2.464 178.637 176.094 0.132 0.000 1.047 385 V CA 2.432 64.815 62.300 0.138 0.000 1.015 385 V CB -0.740 31.241 31.823 0.262 0.000 0.642 385 V HN 0.549 nan 8.190 nan 0.000 0.446 386 K N 0.811 121.329 120.400 0.197 0.000 2.097 386 K HA -0.167 4.154 4.320 0.002 0.000 0.206 386 K C 2.400 179.055 176.600 0.091 0.000 1.049 386 K CA 1.775 58.165 56.287 0.171 0.000 0.933 386 K CB -0.370 32.233 32.500 0.171 0.000 0.717 386 K HN 0.621 nan 8.250 nan 0.000 0.442 387 S N -0.789 114.952 115.700 0.067 0.000 2.428 387 S HA -0.017 4.454 4.470 0.002 0.000 0.230 387 S C 1.574 176.187 174.600 0.023 0.000 1.014 387 S CA 1.055 59.277 58.200 0.038 0.000 0.957 387 S CB 0.077 63.293 63.200 0.027 0.000 0.784 387 S HN 0.472 nan 8.310 nan 0.000 0.499 388 G N 0.248 109.060 108.800 0.019 0.000 2.179 388 G HA2 -0.125 3.836 3.960 0.002 0.000 0.220 388 G HA3 -0.125 3.836 3.960 0.002 0.000 0.220 388 G C 0.930 175.816 174.900 -0.024 0.000 0.990 388 G CA 0.184 45.282 45.100 -0.002 0.000 0.646 388 G HN 1.252 nan 8.290 nan 0.000 0.517 389 A N -0.477 122.330 122.820 -0.023 0.000 2.125 389 A HA 0.478 4.799 4.320 0.002 0.000 0.219 389 A C 1.066 178.602 177.584 -0.079 0.000 1.156 389 A CA 1.377 53.389 52.037 -0.042 0.000 0.671 389 A CB -0.117 18.864 19.000 -0.031 0.000 0.794 389 A HN 0.883 nan 8.150 nan 0.000 0.459 390 I N -0.688 119.826 120.570 -0.093 0.000 2.497 390 I HA 0.221 4.392 4.170 0.002 0.000 0.284 390 I C 0.180 176.209 176.117 -0.148 0.000 1.060 390 I CA -0.567 60.623 61.300 -0.183 0.000 1.071 390 I CB 2.027 39.858 38.000 -0.282 0.000 1.216 390 I HN -0.062 nan 8.210 nan 0.000 0.442 391 K N 3.236 123.558 120.400 -0.130 0.000 2.308 391 K HA 0.214 4.535 4.320 0.002 0.000 0.197 391 K C 0.315 176.891 176.600 -0.039 0.000 1.049 391 K CA 0.561 56.811 56.287 -0.062 0.000 0.991 391 K CB 0.385 32.869 32.500 -0.028 0.000 0.836 391 K HN 0.349 nan 8.250 nan 0.000 0.500 392 K N -0.376 119.970 120.400 -0.090 0.000 2.542 392 K HA 0.337 4.658 4.320 0.002 0.000 0.259 392 K C -1.763 174.760 176.600 -0.128 0.000 0.932 392 K CA -0.379 55.908 56.287 0.001 0.000 0.820 392 K CB 1.087 33.709 32.500 0.205 0.000 1.345 392 K HN -0.248 nan 8.250 nan 0.000 0.432 393 F N 2.410 122.347 119.950 -0.021 0.000 2.436 393 F HA 0.499 5.027 4.527 0.001 0.000 0.340 393 F C -0.358 175.404 175.800 -0.064 0.000 1.113 393 F CA -0.723 57.247 58.000 -0.050 0.000 1.022 393 F CB 1.784 40.729 39.000 -0.091 0.000 1.128 393 F HN 0.027 nan 8.300 nan 0.000 0.466 394 V N 4.535 124.532 119.914 0.138 0.000 2.378 394 V HA 0.299 4.420 4.120 0.002 0.000 0.288 394 V C -0.399 175.726 176.094 0.051 0.000 1.016 394 V CA -0.899 61.467 62.300 0.110 0.000 0.840 394 V CB 1.450 33.423 31.823 0.251 0.000 0.994 394 V HN 0.462 nan 8.190 nan 0.000 0.431 395 V N 7.038 126.918 119.914 -0.057 0.000 2.372 395 V HA 0.272 4.393 4.120 0.002 0.000 0.261 395 V C 0.631 176.775 176.094 0.083 0.000 1.055 395 V CA 0.226 62.513 62.300 -0.023 0.000 0.930 395 V CB 0.884 32.617 31.823 -0.149 0.000 1.031 395 V HN 0.894 nan 8.190 nan 0.000 0.479 396 M N 4.447 124.117 119.600 0.116 0.000 2.869 396 M HA 0.390 4.871 4.480 0.002 0.000 0.338 396 M C 0.691 177.138 176.300 0.245 0.000 1.227 396 M CA -0.142 55.254 55.300 0.159 0.000 0.946 396 M CB 0.707 33.312 32.600 0.008 0.000 1.299 396 M HN 0.668 nan 8.290 nan 0.000 0.518 397 A N 0.526 123.473 122.820 0.212 0.000 2.310 397 A HA 0.835 5.156 4.320 0.002 0.000 0.260 397 A C 0.767 178.474 177.584 0.205 0.000 1.112 397 A CA 0.574 52.742 52.037 0.217 0.000 0.804 397 A CB 0.036 19.159 19.000 0.204 0.000 1.081 397 A HN 0.637 nan 8.150 nan 0.000 0.499 401 G N -0.309 108.364 108.800 -0.211 0.000 2.663 401 G HA2 0.400 4.360 3.960 0.002 0.000 0.299 401 G HA3 0.400 4.360 3.960 0.002 0.000 0.299 401 G C -0.024 174.137 174.900 -1.232 0.000 1.372 401 G CA -0.536 44.244 45.100 -0.534 0.000 0.781 401 G HN 0.362 nan 8.290 nan 0.000 0.491 402 R N -0.164 119.749 120.500 -0.978 0.000 2.075 402 R HA 0.226 4.566 4.340 0.002 0.000 0.226 402 R C 1.635 177.483 176.300 -0.754 0.000 1.114 402 R CA 0.777 56.229 56.100 -1.079 0.000 0.972 402 R CB -0.359 29.659 30.300 -0.470 0.000 0.869 402 R HN 0.611 nan 8.270 nan 0.000 0.437 403 A N 3.148 125.716 122.820 -0.419 0.000 2.592 403 A HA -0.147 4.174 4.320 0.002 0.000 0.250 403 A C 1.090 178.530 177.584 -0.240 0.000 1.017 403 A CA 0.557 52.447 52.037 -0.245 0.000 0.794 403 A CB 0.018 18.937 19.000 -0.135 0.000 0.917 403 A HN 0.461 nan 8.150 nan 0.000 0.515 404 K N 2.402 122.700 120.400 -0.170 0.000 2.442 404 K HA -0.137 4.184 4.320 0.002 0.000 0.198 404 K C 1.468 178.045 176.600 -0.038 0.000 1.044 404 K CA 1.560 57.783 56.287 -0.108 0.000 0.948 404 K CB -0.317 32.145 32.500 -0.064 0.000 0.762 404 K HN 0.745 nan 8.250 nan 0.000 0.472 405 S N 1.424 117.106 115.700 -0.030 0.000 2.447 405 S HA -0.052 4.419 4.470 0.002 0.000 0.233 405 S C 1.776 176.419 174.600 0.072 0.000 1.006 405 S CA 0.262 58.468 58.200 0.010 0.000 0.957 405 S CB -0.206 62.989 63.200 -0.010 0.000 0.773 405 S HN 0.366 nan 8.310 nan 0.000 0.507 406 R N 1.887 122.441 120.500 0.089 0.000 2.328 406 R HA 0.015 4.356 4.340 0.002 0.000 0.207 406 R C 2.351 178.824 176.300 0.288 0.000 1.056 406 R CA 0.957 57.214 56.100 0.262 0.000 1.016 406 R CB -0.512 29.894 30.300 0.176 0.000 0.872 406 R HN 0.728 nan 8.270 nan 0.000 0.471 407 S N -0.104 115.695 115.700 0.166 0.000 2.500 407 S HA -0.229 4.242 4.470 0.002 0.000 0.239 407 S C 1.756 176.452 174.600 0.159 0.000 0.989 407 S CA 0.685 58.977 58.200 0.153 0.000 0.951 407 S CB -0.418 62.839 63.200 0.094 0.000 0.759 407 S HN 0.562 nan 8.310 nan 0.000 0.523 408 Y N 1.692 121.995 120.300 0.006 0.000 2.165 408 Y HA -0.222 4.329 4.550 0.001 0.000 0.286 408 Y C 1.767 177.617 175.900 -0.083 0.000 1.155 408 Y CA 1.655 59.690 58.100 -0.108 0.000 1.164 408 Y CB -0.659 37.623 38.460 -0.296 0.000 0.978 408 Y HN 0.293 nan 8.280 nan 0.000 0.513 409 Y N -0.347 120.062 120.300 0.181 0.000 2.439 409 Y HA -0.145 4.406 4.550 0.002 0.000 0.292 409 Y C 2.534 178.544 175.900 0.183 0.000 1.130 409 Y CA 1.453 59.643 58.100 0.150 0.000 1.254 409 Y CB -0.520 38.153 38.460 0.356 0.000 1.000 409 Y HN 0.095 nan 8.280 nan 0.000 0.554 410 T N -0.599 114.129 114.554 0.290 0.000 2.770 410 T HA -0.141 4.209 4.350 0.002 0.000 0.263 410 T C 1.322 176.080 174.700 0.097 0.000 1.039 410 T CA 1.517 63.755 62.100 0.230 0.000 1.142 410 T CB -0.285 68.690 68.868 0.178 0.000 0.868 410 T HN 0.293 nan 8.240 nan 0.000 0.435 411 D N 0.629 121.040 120.400 0.019 0.000 2.117 411 D HA -0.047 4.594 4.640 0.002 0.000 0.197 411 D C 1.759 177.985 176.300 -0.122 0.000 0.987 411 D CA 0.762 54.728 54.000 -0.057 0.000 0.829 411 D CB -0.404 40.355 40.800 -0.068 0.000 0.961 411 D HN 0.302 nan 8.370 nan 0.000 0.460 412 F N 1.815 121.543 119.950 -0.369 0.000 2.134 412 F HA -0.171 4.357 4.527 0.001 0.000 0.299 412 F C 2.266 177.933 175.800 -0.221 0.000 1.097 412 F CA 1.519 59.281 58.000 -0.397 0.000 1.264 412 F CB -0.135 38.503 39.000 -0.604 0.000 1.001 412 F HN -0.075 nan 8.300 nan 0.000 0.479 413 A N -0.033 122.789 122.820 0.003 0.000 1.877 413 A HA -0.209 4.111 4.320 0.002 0.000 0.216 413 A C 2.126 179.632 177.584 -0.129 0.000 1.186 413 A CA 1.902 53.897 52.037 -0.070 0.000 0.620 413 A CB -0.928 18.066 19.000 -0.011 0.000 0.822 413 A HN 0.527 nan 8.150 nan 0.000 0.443 414 E N -0.929 119.217 120.200 -0.090 0.000 2.150 414 E HA -0.088 4.263 4.350 0.002 0.000 0.193 414 E C 1.857 178.359 176.600 -0.163 0.000 0.985 414 E CA 0.672 57.014 56.400 -0.097 0.000 0.814 414 E CB -0.258 29.409 29.700 -0.055 0.000 0.752 414 E HN 0.610 nan 8.360 nan 0.000 0.466 415 G N 0.481 109.139 108.800 -0.236 0.000 2.920 415 G HA2 0.020 3.981 3.960 0.002 0.000 0.208 415 G HA3 0.020 3.981 3.960 0.002 0.000 0.208 415 G C 0.544 175.215 174.900 -0.382 0.000 1.159 415 G CA -0.249 44.678 45.100 -0.287 0.000 0.784 415 G HN 0.022 nan 8.290 nan 0.000 0.535 416 L N 1.096 122.074 121.223 -0.409 0.000 2.426 416 L HA 0.218 4.559 4.340 0.002 0.000 0.271 416 L C -1.725 174.953 176.870 -0.320 0.000 1.169 416 L CA -1.613 52.962 54.840 -0.441 0.000 0.836 416 L CB 0.926 42.770 42.059 -0.358 0.000 1.112 416 L HN -0.027 nan 8.230 nan 0.000 0.465 417 P HA 0.030 nan 4.420 nan 0.000 0.268 417 P C 0.207 177.396 177.300 -0.184 0.000 1.208 417 P CA 0.039 62.991 63.100 -0.246 0.000 0.777 417 P CB 0.524 32.069 31.700 -0.257 0.000 0.875 418 K N 1.202 121.516 120.400 -0.144 0.000 2.555 418 K HA -0.080 4.241 4.320 0.002 0.000 0.193 418 K C 0.615 177.146 176.600 -0.114 0.000 1.032 418 K CA 1.600 57.816 56.287 -0.118 0.000 1.004 418 K CB -1.081 31.362 32.500 -0.096 0.000 0.804 418 K HN 0.749 nan 8.250 nan 0.000 0.496 419 D N -0.217 120.111 120.400 -0.121 0.000 2.643 419 D HA 0.052 4.693 4.640 0.002 0.000 0.244 419 D C 0.138 176.351 176.300 -0.145 0.000 1.257 419 D CA 0.266 54.194 54.000 -0.119 0.000 0.831 419 D CB -0.350 40.394 40.800 -0.094 0.000 1.043 419 D HN 0.285 nan 8.370 nan 0.000 0.488 420 T N -2.866 111.595 114.554 -0.156 0.000 2.907 420 T HA 0.704 5.055 4.350 0.002 0.000 0.292 420 T C -0.512 174.072 174.700 -0.194 0.000 1.043 420 T CA -0.793 61.209 62.100 -0.165 0.000 1.003 420 T CB 2.084 70.904 68.868 -0.080 0.000 1.084 420 T HN -0.113 nan 8.240 nan 0.000 0.483 421 V N 2.317 122.077 119.914 -0.256 0.000 2.735 421 V HA 0.537 4.658 4.120 0.002 0.000 0.310 421 V C -0.330 175.714 176.094 -0.083 0.000 1.061 421 V CA -1.076 61.096 62.300 -0.213 0.000 0.913 421 V CB 1.893 33.511 31.823 -0.342 0.000 1.005 421 V HN 0.900 nan 8.190 nan 0.000 0.428 422 I N 4.580 125.122 120.570 -0.048 0.000 2.336 422 I HA 0.419 4.590 4.170 0.002 0.000 0.292 422 I C -0.666 175.475 176.117 0.041 0.000 0.991 422 I CA -0.382 60.915 61.300 -0.005 0.000 1.227 422 I CB 1.355 39.308 38.000 -0.079 0.000 1.366 422 I HN 0.309 nan 8.210 nan 0.000 0.466 423 L N 5.820 127.090 121.223 0.079 0.000 2.282 423 L HA 0.546 4.887 4.340 0.002 0.000 0.288 423 L C 0.027 176.973 176.870 0.127 0.000 1.033 423 L CA -0.186 54.709 54.840 0.091 0.000 0.807 423 L CB 1.717 43.823 42.059 0.078 0.000 1.209 423 L HN 0.554 nan 8.230 nan 0.000 0.423 424 T N 2.111 116.760 114.554 0.159 0.000 2.896 424 T HA 0.890 5.241 4.350 0.002 0.000 0.297 424 T C -1.521 173.290 174.700 0.185 0.000 1.108 424 T CA -0.397 61.833 62.100 0.216 0.000 1.004 424 T CB 1.955 71.016 68.868 0.321 0.000 1.159 424 T HN 0.766 nan 8.240 nan 0.000 0.499 425 A N 1.158 124.092 122.820 0.190 0.000 2.565 425 A HA 0.786 5.107 4.320 0.002 0.000 0.298 425 A C 0.060 177.760 177.584 0.193 0.000 1.062 425 A CA 0.135 52.285 52.037 0.188 0.000 0.723 425 A CB 0.719 19.836 19.000 0.194 0.000 1.282 425 A HN 2.158 nan 8.150 nan 0.000 0.400 426 G N -0.811 108.103 108.800 0.190 0.000 2.662 426 G HA2 0.181 4.142 3.960 0.002 0.000 0.686 426 G HA3 0.181 4.142 3.960 0.002 0.000 0.686 426 G C 0.892 175.903 174.900 0.186 0.000 1.271 426 G CA -0.075 45.157 45.100 0.220 0.000 0.816 426 G HN 2.522 nan 8.290 nan 0.000 0.608 427 C N -0.109 119.352 119.300 0.268 0.000 2.485 427 C HA 0.476 4.937 4.460 0.002 0.000 0.283 427 C C 2.894 178.063 174.990 0.299 0.000 1.478 427 C CA 1.080 60.315 59.018 0.360 0.000 1.741 427 C CB -1.594 26.425 27.740 0.465 0.000 1.675 427 C HN 2.099 nan 8.230 nan 0.000 0.573 428 A N 2.203 125.135 122.820 0.187 0.000 2.121 428 A HA -0.091 4.230 4.320 0.002 0.000 0.218 428 A C 2.358 179.887 177.584 -0.091 0.000 1.154 428 A CA 1.425 53.522 52.037 0.100 0.000 0.679 428 A CB -0.573 18.481 19.000 0.089 0.000 0.795 428 A HN 0.897 nan 8.150 nan 0.000 0.458 429 K N -1.373 118.911 120.400 -0.192 0.000 2.280 429 K HA -0.163 4.158 4.320 0.002 0.000 0.202 429 K C 1.157 177.287 176.600 -0.783 0.000 1.047 429 K CA 1.542 57.471 56.287 -0.596 0.000 0.942 429 K CB -0.594 31.686 32.500 -0.368 0.000 0.739 429 K HN 0.471 nan 8.250 nan 0.000 0.457 430 Y N 1.177 121.301 120.300 -0.293 0.000 2.639 430 Y HA 0.039 4.590 4.550 0.001 0.000 0.297 430 Y C 1.995 177.787 175.900 -0.180 0.000 1.151 430 Y CA 0.290 58.264 58.100 -0.210 0.000 1.335 430 Y CB 0.087 38.467 38.460 -0.133 0.000 0.994 430 Y HN 0.019 nan 8.280 nan 0.000 0.548 431 R N -0.498 119.915 120.500 -0.146 0.000 2.275 431 R HA -0.024 4.317 4.340 0.002 0.000 0.199 431 R C 0.026 176.400 176.300 0.124 0.000 0.989 431 R CA 0.798 56.940 56.100 0.070 0.000 1.016 431 R CB -0.092 30.364 30.300 0.260 0.000 0.918 431 R HN 0.641 nan 8.270 nan 0.000 0.473 432 Y N -2.312 118.055 120.300 0.112 0.000 2.957 432 Y HA 0.279 4.830 4.550 0.002 0.000 0.274 432 Y C 0.468 176.394 175.900 0.043 0.000 1.065 432 Y CA -1.102 57.047 58.100 0.082 0.000 1.273 432 Y CB -0.796 37.726 38.460 0.103 0.000 1.358 432 Y HN -0.143 nan 8.280 nan 0.000 0.585 433 N N 0.410 119.049 118.700 -0.103 0.000 2.236 433 N HA 0.090 4.831 4.740 0.002 0.000 0.196 433 N C 0.570 176.075 175.510 -0.008 0.000 1.114 433 N CA 0.098 53.122 53.050 -0.044 0.000 0.859 433 N CB 0.344 38.712 38.487 -0.199 0.000 0.982 433 N HN 0.179 nan 8.380 nan 0.000 0.493 434 K N 0.136 120.546 120.400 0.016 0.000 2.358 434 K HA 0.422 4.743 4.320 0.002 0.000 0.200 434 K C 0.530 177.150 176.600 0.034 0.000 1.030 434 K CA -0.110 56.192 56.287 0.025 0.000 1.097 434 K CB 0.335 32.853 32.500 0.029 0.000 0.862 434 K HN 0.140 nan 8.250 nan 0.000 0.534 435 L N -0.895 120.359 121.223 0.052 0.000 2.777 435 L HA 0.344 4.685 4.340 0.002 0.000 0.195 435 L C 0.667 177.558 176.870 0.034 0.000 1.190 435 L CA -0.217 54.651 54.840 0.048 0.000 0.933 435 L CB 0.102 42.203 42.059 0.069 0.000 1.758 435 L HN 0.095 nan 8.230 nan 0.000 0.515 436 N N -0.302 118.412 118.700 0.024 0.000 2.750 436 N HA 0.498 5.239 4.740 0.002 0.000 0.253 436 N C -0.125 175.386 175.510 0.002 0.000 1.408 436 N CA -0.306 52.751 53.050 0.012 0.000 0.780 436 N CB -0.013 38.477 38.487 0.004 0.000 1.191 436 N HN 0.543 nan 8.380 nan 0.000 0.511 437 L N 0.415 121.641 121.223 0.004 0.000 2.592 437 L HA 0.409 4.750 4.340 0.002 0.000 0.227 437 L C 1.689 178.543 176.870 -0.026 0.000 1.127 437 L CA 0.459 55.290 54.840 -0.016 0.000 0.884 437 L CB -0.384 41.667 42.059 -0.013 0.000 1.065 437 L HN 0.816 nan 8.230 nan 0.000 0.457 438 G N 1.556 110.347 108.800 -0.016 0.000 2.601 438 G HA2 -0.256 3.705 3.960 0.002 0.000 0.261 438 G HA3 -0.256 3.705 3.960 0.002 0.000 0.261 438 G C -0.704 174.180 174.900 -0.027 0.000 1.289 438 G CA 0.116 45.205 45.100 -0.019 0.000 0.920 438 G HN 0.461 nan 8.290 nan 0.000 0.571 439 D N -1.482 118.900 120.400 -0.031 0.000 2.579 439 D HA 0.547 5.188 4.640 0.002 0.000 0.257 439 D C -0.781 175.492 176.300 -0.046 0.000 1.176 439 D CA -0.865 53.111 54.000 -0.040 0.000 0.914 439 D CB 1.788 42.575 40.800 -0.020 0.000 1.431 439 D HN 0.611 nan 8.370 nan 0.000 0.454 440 I N 0.597 121.134 120.570 -0.056 0.000 2.388 440 I HA 0.334 4.505 4.170 0.002 0.000 0.281 440 I C 0.990 177.085 176.117 -0.036 0.000 1.046 440 I CA -0.313 60.953 61.300 -0.056 0.000 1.187 440 I CB 1.072 39.022 38.000 -0.083 0.000 1.351 440 I HN 0.868 nan 8.210 nan 0.000 0.472 441 G N 4.231 113.017 108.800 -0.023 0.000 2.249 441 G HA2 -0.182 3.779 3.960 0.002 0.000 0.273 441 G HA3 -0.182 3.779 3.960 0.002 0.000 0.273 441 G C 0.945 175.845 174.900 0.000 0.000 1.036 441 G CA 0.498 45.592 45.100 -0.010 0.000 0.824 441 G HN 1.268 nan 8.290 nan 0.000 0.504 442 G N -1.526 107.274 108.800 0.001 0.000 2.232 442 G HA2 -0.225 3.735 3.960 0.002 0.000 0.226 442 G HA3 -0.225 3.735 3.960 0.002 0.000 0.226 442 G C 0.408 175.324 174.900 0.027 0.000 0.996 442 G CA 0.179 45.290 45.100 0.018 0.000 0.626 442 G HN 1.314 nan 8.290 nan 0.000 0.509 443 I N 3.162 123.733 120.570 0.001 0.000 2.301 443 I HA 0.288 4.459 4.170 0.002 0.000 0.292 443 I C -2.018 174.054 176.117 -0.075 0.000 1.046 443 I CA -2.109 59.176 61.300 -0.025 0.000 1.282 443 I CB 1.298 39.273 38.000 -0.040 0.000 1.409 443 I HN -0.125 nan 8.210 nan 0.000 0.484 444 P HA 0.012 nan 4.420 nan 0.000 0.264 444 P C 0.279 177.491 177.300 -0.147 0.000 1.183 444 P CA 0.060 63.101 63.100 -0.099 0.000 0.763 444 P CB 0.439 32.090 31.700 -0.082 0.000 0.807 445 R N 1.321 121.764 120.500 -0.096 0.000 2.339 445 R HA 0.061 4.402 4.340 0.002 0.000 0.199 445 R C -0.256 175.994 176.300 -0.084 0.000 1.018 445 R CA 0.522 56.561 56.100 -0.101 0.000 1.036 445 R CB -0.052 30.201 30.300 -0.079 0.000 0.899 445 R HN 0.302 nan 8.270 nan 0.000 0.473 446 V N 1.997 121.863 119.914 -0.080 0.000 2.462 446 V HA 0.236 4.357 4.120 0.002 0.000 0.288 446 V C -0.579 175.449 176.094 -0.110 0.000 1.020 446 V CA -0.571 61.715 62.300 -0.023 0.000 0.857 446 V CB 1.863 33.736 31.823 0.083 0.000 1.013 446 V HN 0.096 nan 8.190 nan 0.000 0.431 447 L N 3.818 124.943 121.223 -0.163 0.000 2.264 447 L HA 0.510 4.851 4.340 0.002 0.000 0.287 447 L C -0.239 176.630 176.870 -0.002 0.000 1.039 447 L CA -0.314 54.326 54.840 -0.333 0.000 0.829 447 L CB 1.173 42.964 42.059 -0.447 0.000 1.211 447 L HN 0.537 nan 8.230 nan 0.000 0.427 448 D N 2.542 123.027 120.400 0.142 0.000 2.347 448 D HA 0.304 4.945 4.640 0.002 0.000 0.235 448 D C 0.781 177.193 176.300 0.187 0.000 1.149 448 D CA -0.164 53.943 54.000 0.178 0.000 0.850 448 D CB 1.970 42.882 40.800 0.186 0.000 1.061 448 D HN 0.550 nan 8.370 nan 0.000 0.487 449 A N 3.013 125.943 122.820 0.183 0.000 2.067 449 A HA 0.490 4.811 4.320 0.002 0.000 0.217 449 A C 1.348 179.061 177.584 0.216 0.000 1.156 449 A CA 1.181 53.320 52.037 0.170 0.000 0.683 449 A CB -0.319 18.776 19.000 0.160 0.000 0.808 449 A HN 0.853 nan 8.150 nan 0.000 0.455 450 G N -1.542 107.428 108.800 0.283 0.000 2.225 450 G HA2 0.052 4.013 3.960 0.002 0.000 0.203 450 G HA3 0.052 4.013 3.960 0.002 0.000 0.203 450 G C -0.787 174.262 174.900 0.249 0.000 1.335 450 G CA -0.317 44.989 45.100 0.344 0.000 1.183 450 G HN 0.418 nan 8.290 nan 0.000 0.488 451 Q N -0.281 119.658 119.800 0.232 0.000 2.471 451 Q HA 0.333 4.674 4.340 0.002 0.000 0.223 451 Q C 2.144 178.283 176.000 0.231 0.000 1.045 451 Q CA 0.082 56.010 55.803 0.209 0.000 0.956 451 Q CB 0.829 29.694 28.738 0.210 0.000 1.249 451 Q HN 1.135 nan 8.270 nan 0.000 0.549 452 C N -0.409 119.063 119.300 0.286 0.000 2.410 452 C HA -0.136 4.325 4.460 0.002 0.000 0.281 452 C C 1.643 176.769 174.990 0.225 0.000 1.318 452 C CA 0.752 59.949 59.018 0.298 0.000 1.776 452 C CB -1.349 26.625 27.740 0.390 0.000 1.942 452 C HN 0.871 nan 8.230 nan 0.000 0.508 453 N N 1.191 119.943 118.700 0.087 0.000 2.459 453 N HA -0.106 4.635 4.740 0.002 0.000 0.181 453 N C 0.503 176.004 175.510 -0.016 0.000 1.046 453 N CA 1.140 54.014 53.050 -0.293 0.000 0.904 453 N CB -0.680 37.437 38.487 -0.617 0.000 0.964 453 N HN 0.574 nan 8.380 nan 0.000 0.444 454 D N 0.587 121.065 120.400 0.130 0.000 2.325 454 D HA 0.098 4.739 4.640 0.002 0.000 0.234 454 D C 0.549 176.976 176.300 0.212 0.000 1.122 454 D CA 0.089 54.212 54.000 0.206 0.000 0.850 454 D CB 0.232 41.165 40.800 0.222 0.000 0.921 454 D HN 0.171 nan 8.370 nan 0.000 0.513 455 S N 0.030 115.852 115.700 0.202 0.000 2.515 455 S HA -0.132 4.339 4.470 0.002 0.000 0.231 455 S C 1.563 176.284 174.600 0.201 0.000 0.987 455 S CA -0.032 58.286 58.200 0.197 0.000 0.936 455 S CB -0.078 63.246 63.200 0.208 0.000 0.766 455 S HN 0.419 nan 8.310 nan 0.000 0.528 456 Y N 2.495 122.852 120.300 0.094 0.000 2.200 456 Y HA -0.094 4.457 4.550 0.001 0.000 0.290 456 Y C 2.380 178.345 175.900 0.108 0.000 1.137 456 Y CA 1.191 59.340 58.100 0.082 0.000 1.163 456 Y CB -0.646 37.853 38.460 0.064 0.000 0.988 456 Y HN 0.153 nan 8.280 nan 0.000 0.518 457 S N 0.425 116.202 115.700 0.127 0.000 2.399 457 S HA -0.149 4.322 4.470 0.002 0.000 0.231 457 S C 1.982 176.592 174.600 0.016 0.000 1.022 457 S CA 1.524 59.784 58.200 0.099 0.000 0.983 457 S CB -0.464 62.858 63.200 0.203 0.000 0.803 457 S HN 0.479 nan 8.310 nan 0.000 0.480 458 L N 0.613 121.863 121.223 0.045 0.000 2.217 458 L HA 0.005 4.346 4.340 0.002 0.000 0.211 458 L C 2.629 179.493 176.870 -0.010 0.000 1.107 458 L CA 0.942 55.799 54.840 0.028 0.000 0.783 458 L CB -0.581 41.523 42.059 0.075 0.000 0.919 458 L HN 0.302 nan 8.230 nan 0.000 0.442 459 A N -0.295 122.505 122.820 -0.033 0.000 1.970 459 A HA -0.054 4.267 4.320 0.002 0.000 0.216 459 A C 2.295 179.793 177.584 -0.144 0.000 1.170 459 A CA 0.944 52.951 52.037 -0.049 0.000 0.645 459 A CB -0.461 18.522 19.000 -0.028 0.000 0.816 459 A HN 0.162 nan 8.150 nan 0.000 0.447 460 V N 0.366 120.117 119.914 -0.272 0.000 2.358 460 V HA -0.238 3.883 4.120 0.002 0.000 0.246 460 V C 2.372 178.372 176.094 -0.157 0.000 1.047 460 V CA 1.923 64.044 62.300 -0.299 0.000 1.035 460 V CB -0.664 30.879 31.823 -0.467 0.000 0.658 460 V HN 0.569 nan 8.190 nan 0.000 0.452 461 I N 0.393 120.897 120.570 -0.109 0.000 2.252 461 I HA -0.186 3.985 4.170 0.002 0.000 0.245 461 I C 2.681 178.730 176.117 -0.113 0.000 1.102 461 I CA 1.281 62.527 61.300 -0.090 0.000 1.385 461 I CB -0.634 37.315 38.000 -0.084 0.000 1.064 461 I HN 0.277 nan 8.210 nan 0.000 0.414 462 A N 1.483 124.240 122.820 -0.105 0.000 1.851 462 A HA -0.192 4.129 4.320 0.002 0.000 0.216 462 A C 2.300 179.853 177.584 -0.051 0.000 1.195 462 A CA 1.564 53.550 52.037 -0.085 0.000 0.622 462 A CB -1.078 17.917 19.000 -0.007 0.000 0.831 462 A HN 0.357 nan 8.150 nan 0.000 0.444 463 L N -0.777 120.416 121.223 -0.049 0.000 2.081 463 L HA -0.258 4.083 4.340 0.002 0.000 0.212 463 L C 2.634 179.484 176.870 -0.034 0.000 1.080 463 L CA 1.961 56.777 54.840 -0.040 0.000 0.754 463 L CB -0.431 41.592 42.059 -0.061 0.000 0.893 463 L HN 0.421 nan 8.230 nan 0.000 0.433 464 K N 0.883 121.254 120.400 -0.049 0.000 2.001 464 K HA -0.122 4.198 4.320 0.002 0.000 0.208 464 K C 1.957 178.558 176.600 0.001 0.000 1.048 464 K CA 1.517 57.784 56.287 -0.034 0.000 0.932 464 K CB -0.550 31.923 32.500 -0.045 0.000 0.715 464 K HN 0.132 nan 8.250 nan 0.000 0.437 465 L N 1.056 122.283 121.223 0.007 0.000 2.189 465 L HA -0.225 4.116 4.340 0.002 0.000 0.214 465 L C 2.581 179.559 176.870 0.180 0.000 1.097 465 L CA 1.663 56.564 54.840 0.102 0.000 0.764 465 L CB -0.471 41.596 42.059 0.014 0.000 0.900 465 L HN 0.361 nan 8.230 nan 0.000 0.436 466 K N 0.633 121.080 120.400 0.079 0.000 2.025 466 K HA -0.260 4.061 4.320 0.002 0.000 0.207 466 K C 2.036 178.691 176.600 0.091 0.000 1.049 466 K CA 1.821 58.158 56.287 0.083 0.000 0.933 466 K CB -0.112 32.407 32.500 0.032 0.000 0.714 466 K HN 0.316 nan 8.250 nan 0.000 0.438 467 E N 0.477 120.704 120.200 0.044 0.000 2.051 467 E HA -0.177 4.174 4.350 0.002 0.000 0.192 467 E C 1.937 178.539 176.600 0.004 0.000 0.991 467 E CA 1.546 57.956 56.400 0.017 0.000 0.799 467 E CB -0.044 29.651 29.700 -0.008 0.000 0.748 467 E HN 0.180 nan 8.360 nan 0.000 0.449 468 V N 0.539 120.445 119.914 -0.014 0.000 2.231 468 V HA -0.283 3.838 4.120 0.002 0.000 0.250 468 V C 1.977 177.927 176.094 -0.239 0.000 1.058 468 V CA 2.162 64.371 62.300 -0.151 0.000 1.022 468 V CB -0.646 31.041 31.823 -0.227 0.000 0.640 468 V HN 0.324 nan 8.190 nan 0.000 0.445 469 F N 0.781 120.727 119.950 -0.005 0.000 2.769 469 F HA 0.379 4.906 4.527 0.001 0.000 0.304 469 F C 1.704 177.505 175.800 0.001 0.000 1.158 469 F CA 0.559 58.560 58.000 0.002 0.000 1.398 469 F CB -0.879 38.126 39.000 0.008 0.000 1.094 469 F HN 0.287 nan 8.300 nan 0.000 0.553 470 G N 1.577 110.433 108.800 0.094 0.000 2.366 470 G HA2 -0.309 3.652 3.960 0.002 0.000 0.299 470 G HA3 -0.309 3.652 3.960 0.002 0.000 0.299 470 G C 0.010 174.956 174.900 0.076 0.000 1.020 470 G CA -0.114 45.023 45.100 0.062 0.000 1.026 470 G HN 0.353 nan 8.290 nan 0.000 0.512 471 L N -0.639 120.638 121.223 0.090 0.000 2.357 471 L HA 0.404 4.745 4.340 0.002 0.000 0.273 471 L C 1.779 178.672 176.870 0.038 0.000 1.080 471 L CA -0.420 54.459 54.840 0.066 0.000 0.803 471 L CB 0.979 43.080 42.059 0.069 0.000 1.174 471 L HN 0.548 nan 8.230 nan 0.000 0.443 472 E N 0.315 120.531 120.200 0.026 0.000 2.060 472 E HA -0.051 4.300 4.350 0.002 0.000 0.189 472 E C 0.011 176.618 176.600 0.010 0.000 0.974 472 E CA 0.238 56.647 56.400 0.015 0.000 0.808 472 E CB 0.208 29.914 29.700 0.011 0.000 0.768 472 E HN 0.523 nan 8.360 nan 0.000 0.453 473 D N 1.081 121.487 120.400 0.010 0.000 2.193 473 D HA 0.037 4.678 4.640 0.002 0.000 0.244 473 D C 0.728 177.033 176.300 0.009 0.000 1.064 473 D CA -0.418 53.586 54.000 0.005 0.000 0.845 473 D CB 2.481 43.281 40.800 0.001 0.000 1.148 473 D HN -0.034 nan 8.370 nan 0.000 0.464 474 V N 4.821 124.739 119.914 0.006 0.000 2.568 474 V HA -0.190 3.930 4.120 0.002 0.000 0.253 474 V C 1.528 177.637 176.094 0.025 0.000 1.072 474 V CA 1.582 63.890 62.300 0.014 0.000 1.084 474 V CB -0.426 31.401 31.823 0.008 0.000 0.676 474 V HN 0.542 nan 8.190 nan 0.000 0.469 475 N N 0.378 119.087 118.700 0.014 0.000 2.520 475 N HA -0.101 4.640 4.740 0.002 0.000 0.185 475 N C 1.031 176.555 175.510 0.023 0.000 1.068 475 N CA 1.241 54.305 53.050 0.023 0.000 0.911 475 N CB -0.203 38.282 38.487 -0.003 0.000 0.961 475 N HN 0.591 nan 8.380 nan 0.000 0.446 476 D N 0.646 121.053 120.400 0.012 0.000 2.355 476 D HA 0.058 4.699 4.640 0.002 0.000 0.218 476 D C 0.809 177.098 176.300 -0.019 0.000 1.004 476 D CA 0.101 54.101 54.000 0.001 0.000 0.880 476 D CB 0.467 41.269 40.800 0.003 0.000 0.911 476 D HN 0.228 nan 8.370 nan 0.000 0.528 477 L N 2.202 123.415 121.223 -0.016 0.000 2.467 477 L HA 0.103 4.444 4.340 0.002 0.000 0.270 477 L C -1.641 175.210 176.870 -0.032 0.000 1.205 477 L CA -1.259 53.547 54.840 -0.056 0.000 0.828 477 L CB 0.362 42.393 42.059 -0.046 0.000 1.101 477 L HN -0.176 nan 8.230 nan 0.000 0.479 478 P HA 0.215 nan 4.420 nan 0.000 0.237 478 P C -0.744 176.598 177.300 0.069 0.000 1.788 478 P CA 0.427 63.535 63.100 0.013 0.000 1.061 478 P CB -0.193 31.515 31.700 0.014 0.000 1.967 479 I N 0.918 121.496 120.570 0.013 0.000 2.647 479 I HA 0.396 4.567 4.170 0.002 0.000 0.295 479 I C -0.345 175.702 176.117 -0.116 0.000 1.078 479 I CA -1.259 60.009 61.300 -0.053 0.000 1.048 479 I CB 3.019 40.931 38.000 -0.148 0.000 1.239 479 I HN -0.162 nan 8.210 nan 0.000 0.421 480 V N 5.271 125.057 119.914 -0.213 0.000 2.680 480 V HA 0.421 4.542 4.120 0.002 0.000 0.309 480 V C -1.387 174.575 176.094 -0.220 0.000 1.052 480 V CA -0.640 61.577 62.300 -0.138 0.000 0.908 480 V CB 2.094 33.793 31.823 -0.206 0.000 1.001 480 V HN 0.409 nan 8.190 nan 0.000 0.431 481 Y N 2.896 123.216 120.300 0.033 0.000 2.356 481 Y HA 0.502 5.053 4.550 0.001 0.000 0.334 481 Y C 0.399 176.366 175.900 0.113 0.000 0.958 481 Y CA -0.848 57.284 58.100 0.054 0.000 1.196 481 Y CB 1.179 39.629 38.460 -0.017 0.000 1.137 481 Y HN 0.563 nan 8.280 nan 0.000 0.485 482 N N 4.196 123.045 118.700 0.248 0.000 2.844 482 N HA 0.336 5.077 4.740 0.002 0.000 0.268 482 N C -1.246 174.446 175.510 0.303 0.000 1.574 482 N CA -0.143 53.076 53.050 0.281 0.000 0.838 482 N CB 0.121 38.699 38.487 0.152 0.000 1.177 482 N HN 0.579 nan 8.380 nan 0.000 0.495 483 I N 0.765 121.502 120.570 0.279 0.000 2.472 483 I HA 0.456 4.627 4.170 0.002 0.000 0.290 483 I C 0.570 176.831 176.117 0.240 0.000 1.016 483 I CA -0.803 60.638 61.300 0.235 0.000 1.348 483 I CB 1.374 39.508 38.000 0.223 0.000 1.417 483 I HN 0.251 nan 8.210 nan 0.000 0.521 484 A N 7.318 130.206 122.820 0.113 0.000 2.318 484 A HA 0.685 5.006 4.320 0.002 0.000 0.324 484 A C -0.955 176.794 177.584 0.274 0.000 1.170 484 A CA -0.532 51.552 52.037 0.079 0.000 0.810 484 A CB 0.926 19.663 19.000 -0.438 0.000 1.198 484 A HN 0.821 nan 8.150 nan 0.000 0.484 485 W N 1.811 123.189 121.300 0.129 0.000 2.850 485 W HA 0.685 5.346 4.660 0.001 0.000 0.349 485 W C -1.004 175.669 176.519 0.258 0.000 1.133 485 W CA -0.930 56.519 57.345 0.174 0.000 1.117 485 W CB 1.112 30.653 29.460 0.135 0.000 1.442 485 W HN 0.743 nan 8.180 nan 0.000 0.575 486 Y N 0.637 120.840 120.300 -0.161 0.000 3.299 486 Y HA 0.153 4.704 4.550 0.001 0.000 0.195 486 Y C -0.090 175.656 175.900 -0.256 0.000 0.972 486 Y CA 1.100 58.938 58.100 -0.436 0.000 1.633 486 Y CB 0.127 38.535 38.460 -0.086 0.000 1.465 486 Y HN 0.451 nan 8.280 nan 0.000 0.367 487 E N 0.058 120.137 120.200 -0.203 0.000 2.396 487 E HA 0.363 4.714 4.350 0.002 0.000 0.251 487 E C 0.521 177.164 176.600 0.071 0.000 0.949 487 E CA -0.491 55.767 56.400 -0.236 0.000 0.834 487 E CB 0.640 30.143 29.700 -0.329 0.000 1.309 487 E HN 0.065 nan 8.360 nan 0.000 0.405 488 Q N 0.206 119.985 119.800 -0.035 0.000 2.217 488 Q HA -0.167 4.174 4.340 0.002 0.000 0.209 488 Q C 1.535 177.528 176.000 -0.012 0.000 0.988 488 Q CA 2.047 57.844 55.803 -0.010 0.000 0.878 488 Q CB -0.343 28.346 28.738 -0.082 0.000 0.909 488 Q HN 0.470 nan 8.270 nan 0.000 0.424 489 K N -0.214 120.149 120.400 -0.062 0.000 2.097 489 K HA -0.009 4.312 4.320 0.002 0.000 0.205 489 K C 2.043 178.689 176.600 0.077 0.000 1.050 489 K CA 0.973 57.176 56.287 -0.139 0.000 0.938 489 K CB -0.185 32.208 32.500 -0.177 0.000 0.718 489 K HN 0.240 nan 8.250 nan 0.000 0.442 490 A N 0.886 123.823 122.820 0.193 0.000 1.972 490 A HA -0.112 4.209 4.320 0.002 0.000 0.219 490 A C 2.227 179.950 177.584 0.232 0.000 1.169 490 A CA 1.280 53.491 52.037 0.290 0.000 0.635 490 A CB -0.449 18.812 19.000 0.436 0.000 0.810 490 A HN 0.078 nan 8.150 nan 0.000 0.446 491 V N -0.611 119.418 119.914 0.190 0.000 2.667 491 V HA -0.167 3.954 4.120 0.002 0.000 0.252 491 V C 2.250 178.386 176.094 0.069 0.000 1.065 491 V CA 1.665 64.029 62.300 0.106 0.000 1.083 491 V CB -0.503 31.404 31.823 0.141 0.000 0.692 491 V HN 0.582 nan 8.190 nan 0.000 0.468 492 I N -0.421 120.190 120.570 0.068 0.000 2.617 492 I HA -0.061 4.110 4.170 0.002 0.000 0.256 492 I C 2.069 178.260 176.117 0.123 0.000 1.167 492 I CA 1.229 62.572 61.300 0.072 0.000 1.469 492 I CB 0.045 38.064 38.000 0.032 0.000 1.098 492 I HN 0.050 nan 8.210 nan 0.000 0.436 493 V N 0.185 120.200 119.914 0.167 0.000 2.453 493 V HA -0.198 3.923 4.120 0.002 0.000 0.247 493 V C 2.346 178.498 176.094 0.097 0.000 1.048 493 V CA 1.533 63.943 62.300 0.183 0.000 1.049 493 V CB -0.625 31.338 31.823 0.232 0.000 0.672 493 V HN 0.455 nan 8.190 nan 0.000 0.457 494 L N -0.048 121.210 121.223 0.058 0.000 1.994 494 L HA -0.129 4.212 4.340 0.002 0.000 0.208 494 L C 2.197 179.015 176.870 -0.088 0.000 1.071 494 L CA 1.985 56.809 54.840 -0.026 0.000 0.745 494 L CB -0.589 41.430 42.059 -0.066 0.000 0.892 494 L HN 0.197 nan 8.230 nan 0.000 0.431 495 L N -0.533 120.651 121.223 -0.065 0.000 2.083 495 L HA -0.166 4.175 4.340 0.002 0.000 0.209 495 L C 2.674 179.495 176.870 -0.082 0.000 1.083 495 L CA 1.105 55.886 54.840 -0.099 0.000 0.752 495 L CB -1.047 40.990 42.059 -0.036 0.000 0.899 495 L HN 0.402 nan 8.230 nan 0.000 0.433 496 A N 0.227 123.039 122.820 -0.013 0.000 1.933 496 A HA -0.138 4.183 4.320 0.002 0.000 0.218 496 A C 2.266 179.834 177.584 -0.027 0.000 1.175 496 A CA 1.326 53.368 52.037 0.008 0.000 0.628 496 A CB -0.571 18.476 19.000 0.079 0.000 0.814 496 A HN 0.358 nan 8.150 nan 0.000 0.444 497 L N -0.723 120.471 121.223 -0.049 0.000 2.056 497 L HA -0.123 4.218 4.340 0.002 0.000 0.207 497 L C 2.483 179.251 176.870 -0.171 0.000 1.078 497 L CA 0.857 55.640 54.840 -0.096 0.000 0.749 497 L CB -0.499 41.495 42.059 -0.107 0.000 0.901 497 L HN 0.361 nan 8.230 nan 0.000 0.433 498 L N -0.382 120.691 121.223 -0.250 0.000 2.141 498 L HA -0.169 4.172 4.340 0.002 0.000 0.209 498 L C 2.826 179.562 176.870 -0.223 0.000 1.094 498 L CA 1.492 56.084 54.840 -0.412 0.000 0.763 498 L CB -0.553 41.026 42.059 -0.801 0.000 0.908 498 L HN 0.402 nan 8.230 nan 0.000 0.437 499 S N -0.297 115.318 115.700 -0.141 0.000 2.461 499 S HA -0.042 4.429 4.470 0.002 0.000 0.228 499 S C 1.756 176.336 174.600 -0.033 0.000 1.005 499 S CA 0.413 58.580 58.200 -0.055 0.000 0.942 499 S CB -0.340 62.827 63.200 -0.055 0.000 0.776 499 S HN 0.404 nan 8.310 nan 0.000 0.514 500 L N 0.957 122.152 121.223 -0.047 0.000 2.599 500 L HA 0.285 4.626 4.340 0.002 0.000 0.230 500 L C 2.019 178.871 176.870 -0.030 0.000 1.141 500 L CA 0.484 55.303 54.840 -0.035 0.000 0.877 500 L CB -0.680 41.360 42.059 -0.033 0.000 1.009 500 L HN 0.649 nan 8.230 nan 0.000 0.447 501 G N -0.456 108.334 108.800 -0.016 0.000 2.217 501 G HA2 -0.263 3.698 3.960 0.002 0.000 0.246 501 G HA3 -0.263 3.698 3.960 0.002 0.000 0.246 501 G C 0.387 175.271 174.900 -0.028 0.000 0.990 501 G CA 0.035 45.142 45.100 0.012 0.000 0.627 501 G HN 0.079 nan 8.290 nan 0.000 0.522 502 V N 2.257 122.101 119.914 -0.118 0.000 2.617 502 V HA 0.343 4.463 4.120 0.002 0.000 0.304 502 V C 0.821 176.787 176.094 -0.213 0.000 1.040 502 V CA 0.967 63.116 62.300 -0.251 0.000 1.149 502 V CB 0.848 32.374 31.823 -0.494 0.000 0.914 502 V HN 0.528 nan 8.190 nan 0.000 0.487 503 K N 3.278 123.556 120.400 -0.202 0.000 2.349 503 K HA 0.535 4.856 4.320 0.002 0.000 0.243 503 K C 0.189 176.669 176.600 -0.200 0.000 1.058 503 K CA -1.089 55.124 56.287 -0.123 0.000 0.871 503 K CB 0.971 33.447 32.500 -0.040 0.000 1.337 503 K HN 0.503 nan 8.250 nan 0.000 0.469 504 N N 0.155 118.745 118.700 -0.184 0.000 2.741 504 N HA -0.183 4.558 4.740 0.002 0.000 0.250 504 N C -0.568 174.610 175.510 -0.553 0.000 1.115 504 N CA 0.650 53.515 53.050 -0.309 0.000 0.724 504 N CB -1.248 37.115 38.487 -0.207 0.000 1.090 504 N HN 0.544 nan 8.380 nan 0.000 0.558 505 I N 1.783 122.108 120.570 -0.408 0.000 2.648 505 I HA -0.051 4.120 4.170 0.002 0.000 0.284 505 I C 0.872 176.709 176.117 -0.466 0.000 1.153 505 I CA 0.404 61.492 61.300 -0.354 0.000 1.426 505 I CB 0.369 38.235 38.000 -0.224 0.000 1.381 505 I HN -0.002 nan 8.210 nan 0.000 0.571 506 H N 6.819 125.819 119.070 -0.115 0.000 2.519 506 H HA 0.366 4.922 4.556 0.001 0.000 0.316 506 H C -0.756 174.601 175.328 0.049 0.000 1.065 506 H CA -0.742 55.239 56.048 -0.111 0.000 1.264 506 H CB 1.772 31.339 29.762 -0.325 0.000 1.413 506 H HN 0.296 nan 8.280 nan 0.000 0.465 507 L N 2.975 124.283 121.223 0.142 0.000 2.322 507 L HA 0.649 4.990 4.340 0.002 0.000 0.281 507 L C 0.096 177.117 176.870 0.252 0.000 1.014 507 L CA 0.006 54.950 54.840 0.173 0.000 0.815 507 L CB 1.562 43.635 42.059 0.022 0.000 1.247 507 L HN 0.794 nan 8.230 nan 0.000 0.421 508 G N 3.654 112.692 108.800 0.397 0.000 2.721 508 G HA2 0.450 4.411 3.960 0.002 0.000 0.296 508 G HA3 0.450 4.411 3.960 0.002 0.000 0.296 508 G C -2.650 172.537 174.900 0.478 0.000 1.383 508 G CA -0.425 44.907 45.100 0.387 0.000 0.788 508 G HN 0.379 nan 8.290 nan 0.000 0.500 509 P HA 0.067 nan 4.420 nan 0.000 0.230 509 P C 0.512 177.878 177.300 0.110 0.000 1.158 509 P CA 1.212 64.413 63.100 0.169 0.000 0.769 509 P CB 0.162 31.944 31.700 0.138 0.000 0.807 510 T N -3.511 111.176 114.554 0.222 0.000 2.843 510 T HA 0.551 4.902 4.350 0.002 0.000 0.302 510 T C -0.495 174.410 174.700 0.341 0.000 1.232 510 T CA -0.965 61.260 62.100 0.207 0.000 1.009 510 T CB 1.147 70.107 68.868 0.153 0.000 1.254 510 T HN -0.180 nan 8.240 nan 0.000 0.504 511 L N 1.540 122.865 121.223 0.170 0.000 2.375 511 L HA 0.452 4.793 4.340 0.002 0.000 0.271 511 L C -2.226 174.641 176.870 -0.004 0.000 1.107 511 L CA -2.363 52.502 54.840 0.042 0.000 0.806 511 L CB 0.650 42.693 42.059 -0.027 0.000 1.146 511 L HN 0.479 nan 8.230 nan 0.000 0.447 512 P HA -0.058 nan 4.420 nan 0.000 0.261 512 P C -0.063 176.898 177.300 -0.564 0.000 1.183 512 P CA 0.177 62.864 63.100 -0.690 0.000 0.761 512 P CB 0.825 31.593 31.700 -1.552 0.000 0.785 513 A N 4.020 126.635 122.820 -0.342 0.000 2.119 513 A HA -0.115 4.206 4.320 0.002 0.000 0.217 513 A C 1.235 178.704 177.584 -0.192 0.000 1.153 513 A CA 0.850 52.806 52.037 -0.135 0.000 0.692 513 A CB -1.238 17.812 19.000 0.083 0.000 0.799 513 A HN 0.654 nan 8.150 nan 0.000 0.458 514 F N -1.159 118.608 119.950 -0.305 0.000 2.725 514 F HA 0.490 5.018 4.527 0.001 0.000 0.303 514 F C -0.033 175.710 175.800 -0.095 0.000 1.167 514 F CA -0.695 57.013 58.000 -0.486 0.000 1.403 514 F CB -0.778 37.753 39.000 -0.783 0.000 1.077 514 F HN -0.098 nan 8.300 nan 0.000 0.537 515 L N 1.887 123.057 121.223 -0.088 0.000 2.287 515 L HA 0.401 4.742 4.340 0.002 0.000 0.287 515 L C 0.539 177.437 176.870 0.047 0.000 1.022 515 L CA -0.955 53.885 54.840 -0.000 0.000 0.814 515 L CB 1.492 43.487 42.059 -0.106 0.000 1.217 515 L HN 0.279 nan 8.230 nan 0.000 0.420 516 S N 2.485 118.238 115.700 0.089 0.000 2.632 516 S HA 0.365 4.836 4.470 0.002 0.000 0.267 516 S C -1.872 172.760 174.600 0.054 0.000 1.276 516 S CA -1.140 57.111 58.200 0.086 0.000 0.998 516 S CB 1.190 64.448 63.200 0.096 0.000 0.953 516 S HN 0.381 nan 8.310 nan 0.000 0.547 517 P HA -0.126 nan 4.420 nan 0.000 0.217 517 P C 0.896 178.215 177.300 0.032 0.000 1.151 517 P CA 1.311 64.433 63.100 0.036 0.000 0.849 517 P CB -0.050 31.671 31.700 0.035 0.000 0.787 518 N N -1.270 117.451 118.700 0.036 0.000 2.207 518 N HA -0.057 4.684 4.740 0.002 0.000 0.182 518 N C 1.752 177.283 175.510 0.034 0.000 1.020 518 N CA 0.830 53.898 53.050 0.031 0.000 0.858 518 N CB -1.066 37.439 38.487 0.030 0.000 0.991 518 N HN 0.011 nan 8.380 nan 0.000 0.427 519 V N 1.893 121.833 119.914 0.044 0.000 2.343 519 V HA -0.184 3.937 4.120 0.002 0.000 0.247 519 V C 2.476 178.596 176.094 0.043 0.000 1.051 519 V CA 1.800 64.129 62.300 0.050 0.000 1.036 519 V CB -1.001 30.860 31.823 0.063 0.000 0.654 519 V HN 0.270 nan 8.190 nan 0.000 0.451 520 A N -0.120 122.717 122.820 0.029 0.000 1.865 520 A HA -0.303 4.018 4.320 0.002 0.000 0.217 520 A C 2.351 179.950 177.584 0.025 0.000 1.191 520 A CA 2.371 54.417 52.037 0.016 0.000 0.623 520 A CB -0.587 18.416 19.000 0.005 0.000 0.826 520 A HN 0.517 nan 8.150 nan 0.000 0.444 521 K N -0.357 120.056 120.400 0.022 0.000 2.044 521 K HA -0.152 4.168 4.320 0.002 0.000 0.210 521 K C 1.876 178.484 176.600 0.013 0.000 1.049 521 K CA 1.916 58.213 56.287 0.016 0.000 0.927 521 K CB -0.370 32.138 32.500 0.013 0.000 0.713 521 K HN 0.240 nan 8.250 nan 0.000 0.443 522 V N 1.804 121.731 119.914 0.022 0.000 2.287 522 V HA -0.267 3.854 4.120 0.002 0.000 0.248 522 V C 2.343 178.461 176.094 0.041 0.000 1.053 522 V CA 1.725 64.035 62.300 0.018 0.000 1.027 522 V CB -0.360 31.485 31.823 0.036 0.000 0.646 522 V HN 0.355 nan 8.190 nan 0.000 0.447 523 L N -0.613 120.674 121.223 0.107 0.000 2.201 523 L HA -0.125 4.216 4.340 0.002 0.000 0.212 523 L C 2.385 179.369 176.870 0.189 0.000 1.105 523 L CA 0.884 55.866 54.840 0.237 0.000 0.775 523 L CB -0.539 41.616 42.059 0.160 0.000 0.913 523 L HN 0.228 nan 8.230 nan 0.000 0.440 524 V N -0.177 119.777 119.914 0.068 0.000 2.379 524 V HA -0.208 3.913 4.120 0.002 0.000 0.245 524 V C 2.314 178.396 176.094 -0.020 0.000 1.044 524 V CA 1.545 63.863 62.300 0.030 0.000 1.036 524 V CB -0.342 31.489 31.823 0.014 0.000 0.664 524 V HN 0.447 nan 8.190 nan 0.000 0.453 525 E N -0.085 120.084 120.200 -0.051 0.000 2.031 525 E HA -0.287 4.064 4.350 0.002 0.000 0.193 525 E C 2.302 178.784 176.600 -0.197 0.000 0.994 525 E CA 1.551 57.893 56.400 -0.097 0.000 0.800 525 E CB -0.205 29.443 29.700 -0.086 0.000 0.752 525 E HN 0.638 nan 8.360 nan 0.000 0.447 526 Q N -0.578 119.012 119.800 -0.349 0.000 2.079 526 Q HA -0.107 4.234 4.340 0.002 0.000 0.200 526 Q C 1.484 176.951 176.000 -0.889 0.000 0.974 526 Q CA 1.372 56.732 55.803 -0.739 0.000 0.840 526 Q CB 0.088 28.097 28.738 -1.215 0.000 0.898 526 Q HN 0.310 nan 8.270 nan 0.000 0.430 527 F N -1.602 118.308 119.950 -0.067 0.000 2.728 527 F HA 0.273 4.801 4.527 0.002 0.000 0.314 527 F C 0.227 175.961 175.800 -0.110 0.000 1.094 527 F CA -0.407 57.537 58.000 -0.093 0.000 1.217 527 F CB 0.222 39.160 39.000 -0.104 0.000 1.056 527 F HN -0.083 nan 8.300 nan 0.000 0.577 528 N N 1.886 120.606 118.700 0.033 0.000 2.727 528 N HA -0.207 4.533 4.740 0.002 0.000 0.251 528 N C -0.514 174.971 175.510 -0.042 0.000 1.040 528 N CA 0.156 53.198 53.050 -0.014 0.000 0.712 528 N CB -1.172 37.290 38.487 -0.042 0.000 0.912 528 N HN 0.326 nan 8.380 nan 0.000 0.545 529 I N -0.243 120.323 120.570 -0.006 0.000 2.662 529 I HA 0.529 4.700 4.170 0.002 0.000 0.291 529 I C 1.527 177.612 176.117 -0.054 0.000 1.046 529 I CA 0.253 61.511 61.300 -0.070 0.000 1.361 529 I CB 1.362 39.332 38.000 -0.050 0.000 1.429 529 I HN 0.356 nan 8.210 nan 0.000 0.558 530 G N 2.642 111.402 108.800 -0.065 0.000 2.682 530 G HA2 0.623 4.584 3.960 0.002 0.000 0.290 530 G HA3 0.623 4.584 3.960 0.002 0.000 0.290 530 G C -0.847 174.106 174.900 0.088 0.000 1.425 530 G CA -0.486 44.632 45.100 0.030 0.000 0.807 530 G HN 0.789 nan 8.290 nan 0.000 0.482 531 G N -1.300 107.573 108.800 0.123 0.000 2.642 531 G HA2 0.685 4.645 3.960 0.002 0.000 0.291 531 G HA3 0.685 4.645 3.960 0.002 0.000 0.291 531 G C 0.003 175.011 174.900 0.180 0.000 1.345 531 G CA -0.516 44.661 45.100 0.129 0.000 1.043 531 G HN 1.189 nan 8.290 nan 0.000 0.528 532 I N -2.462 118.145 120.570 0.062 0.000 2.822 532 I HA 0.792 4.963 4.170 0.002 0.000 0.312 532 I C 0.716 176.768 176.117 -0.109 0.000 1.011 532 I CA -0.568 60.701 61.300 -0.052 0.000 1.105 532 I CB 2.312 40.007 38.000 -0.510 0.000 1.291 532 I HN 0.675 nan 8.210 nan 0.000 0.474 533 T N 0.403 114.890 114.554 -0.111 0.000 2.233 533 T HA 0.405 4.756 4.350 0.002 0.000 0.172 533 T C 0.522 175.194 174.700 -0.045 0.000 0.740 533 T CA 0.379 62.445 62.100 -0.058 0.000 1.172 533 T CB -0.240 68.627 68.868 -0.001 0.000 2.941 533 T HN 0.862 nan 8.240 nan 0.000 0.398 534 S N 1.326 117.054 115.700 0.047 0.000 2.664 534 S HA 0.607 5.078 4.470 0.002 0.000 0.304 534 S C -2.328 172.405 174.600 0.222 0.000 1.099 534 S CA -1.459 56.823 58.200 0.136 0.000 1.003 534 S CB 1.581 64.814 63.200 0.056 0.000 1.092 534 S HN 0.261 nan 8.310 nan 0.000 0.525 535 P HA -0.022 nan 4.420 nan 0.000 0.218 535 P C 2.029 179.305 177.300 -0.039 0.000 1.148 535 P CA 2.226 65.333 63.100 0.012 0.000 0.822 535 P CB -0.192 31.439 31.700 -0.115 0.000 0.784 536 Q N 0.423 120.197 119.800 -0.044 0.000 1.990 536 Q HA -0.200 4.141 4.340 0.002 0.000 0.200 536 Q C 1.939 177.893 176.000 -0.077 0.000 0.980 536 Q CA 1.915 57.671 55.803 -0.078 0.000 0.832 536 Q CB -1.895 26.809 28.738 -0.056 0.000 0.897 536 Q HN 0.286 nan 8.270 nan 0.000 0.427 537 D N 0.922 121.292 120.400 -0.049 0.000 2.117 537 D HA -0.133 4.508 4.640 0.002 0.000 0.197 537 D C 1.243 177.466 176.300 -0.129 0.000 0.987 537 D CA 1.526 55.493 54.000 -0.055 0.000 0.829 537 D CB -0.189 40.596 40.800 -0.025 0.000 0.961 537 D HN 0.537 nan 8.370 nan 0.000 0.460 538 D N 0.391 120.648 120.400 -0.238 0.000 2.269 538 D HA -0.027 4.614 4.640 0.002 0.000 0.208 538 D C 2.242 178.308 176.300 -0.389 0.000 0.963 538 D CA 0.105 53.660 54.000 -0.742 0.000 0.864 538 D CB -0.173 40.008 40.800 -1.032 0.000 0.936 538 D HN 0.231 nan 8.370 nan 0.000 0.505 539 L N 0.196 121.339 121.223 -0.133 0.000 2.291 539 L HA -0.121 4.220 4.340 0.002 0.000 0.214 539 L C 2.586 179.394 176.870 -0.103 0.000 1.120 539 L CA 1.246 55.972 54.840 -0.189 0.000 0.799 539 L CB -0.133 41.689 42.059 -0.395 0.000 0.925 539 L HN 0.067 nan 8.230 nan 0.000 0.446 540 K N -0.486 119.896 120.400 -0.030 0.000 2.190 540 K HA 0.266 4.587 4.320 0.002 0.000 0.202 540 K C 2.101 178.801 176.600 0.166 0.000 1.045 540 K CA 0.745 57.054 56.287 0.037 0.000 0.976 540 K CB -0.860 31.638 32.500 -0.003 0.000 0.849 540 K HN 0.252 nan 8.250 nan 0.000 0.468 541 A N 0.770 123.676 122.820 0.143 0.000 1.851 541 A HA 0.030 4.351 4.320 0.002 0.000 0.216 541 A C 2.130 179.974 177.584 0.434 0.000 1.195 541 A CA 1.609 53.792 52.037 0.244 0.000 0.622 541 A CB -0.868 18.267 19.000 0.224 0.000 0.831 541 A HN 0.538 nan 8.150 nan 0.000 0.444 542 F N -1.694 118.368 119.950 0.187 0.000 2.605 542 F HA -0.023 4.505 4.527 0.001 0.000 0.296 542 F C 0.226 175.989 175.800 -0.062 0.000 1.146 542 F CA -0.327 57.720 58.000 0.079 0.000 1.478 542 F CB -0.250 38.770 39.000 0.033 0.000 1.107 542 F HN 0.086 nan 8.300 nan 0.000 0.600 543 F N 0.000 120.096 119.950 0.244 0.000 2.286 543 F HA 0.000 4.528 4.527 0.001 0.000 0.279 543 F CA 0.000 58.088 58.000 0.147 0.000 1.383 543 F CB 0.000 39.053 39.000 0.088 0.000 1.145 543 F HN 0.000 nan 8.300 nan 0.000 0.574