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 2fsi_1_A DATA FIRST_RESID 13 DATA SEQUENCE RNDRTLRRMR KVVNIINAME PEMEKLSDEE LKGKTAEFRA RLEKGEVLEN DATA SEQUENCE LIPEAFAVVR EASKRVFGMR HFDVQLLGGM VLNERCIAEM RTGEGKTLTA DATA SEQUENCE TLPAYLNALT GKGVHVVTVN DYLAQRDAEN NRPLFEFLGL TVGINLPGMP DATA SEQUENCE APAKREAYAA DITYGTNNEY GFDYLRDNMA FSPEERVQRK LHYALVDEVD DATA SEQUENCE SILIDEARTP LIISGPAEDS XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXQNENQTL ASITFQNYFR LYEKLAGMTG TADTEAFEFS SIYKLDTVVV DATA SEQUENCE PTNRPMIRKD LPDLVYMTEA EKIQAIIEDI KERTAKGQPV LVGTISIEKS DATA SEQUENCE ELVSNELTKA GIKHNVLNAK FHANEAAIVA QAGYPAAVTI ATNMAGRGTD DATA SEQUENCE IVLGGSWQAE VAALENPTAE QIEKIKADWQ VRHDAVLEAG GLHIIGTERH DATA SEQUENCE ESRRIDNQLR GRSGRQGDAG SSRFYLSMED ALMRIFASDR VSGMMRKLGM DATA SEQUENCE KPGEAIEHPW VTKAIANAQR KVESRNFDIR KQLLEYDDVA NDQRRAIYSQ DATA SEQUENCE RNELLDVSDV SETINSIRED VFKATIDAYI PPQSLEEMWD IPGLQERLKN DATA SEQUENCE DFDLDLPIAE WLDKEPELHE ETLRERILAQ SIEVYQRKEE VVGAEMMRHF DATA SEQUENCE EKGVMLQTLD SLWKEHLAAM DYLRQGIHLR GYAQKDPKQE YKRESFSMFA DATA SEQUENCE AMLESLKYEV ISTLSKVQVR MPEE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.307 176.300 0.012 0.000 0.893 13 R CA 0.000 56.108 56.100 0.012 0.000 0.921 13 R CB 0.000 30.310 30.300 0.017 0.000 0.687 14 N N 0.201 118.910 118.700 0.014 0.000 1.663 14 N HA -0.325 4.414 4.740 -0.001 0.000 0.175 14 N C -0.109 175.408 175.510 0.013 0.000 0.777 14 N CA 2.065 55.124 53.050 0.014 0.000 1.195 14 N CB -1.340 37.156 38.487 0.015 0.000 1.427 14 N HN 0.686 nan 8.380 nan 0.000 0.439 15 D N 0.023 120.431 120.400 0.012 0.000 2.301 15 D HA 0.187 4.826 4.640 -0.001 0.000 0.206 15 D C 2.074 178.379 176.300 0.009 0.000 0.979 15 D CA 0.465 54.472 54.000 0.011 0.000 0.874 15 D CB 0.153 40.960 40.800 0.011 0.000 0.968 15 D HN 0.275 nan 8.370 nan 0.000 0.510 16 R N 0.120 120.625 120.500 0.008 0.000 2.097 16 R HA -0.134 4.206 4.340 -0.001 0.000 0.236 16 R C 2.517 178.819 176.300 0.003 0.000 1.135 16 R CA 1.864 57.967 56.100 0.005 0.000 0.934 16 R CB -1.886 28.417 30.300 0.005 0.000 0.846 16 R HN 0.422 nan 8.270 nan 0.000 0.431 17 T N 0.034 114.590 114.554 0.004 0.000 2.684 17 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 17 T C 2.209 176.911 174.700 0.003 0.000 1.036 17 T CA 1.410 63.510 62.100 0.001 0.000 1.148 17 T CB -0.409 68.460 68.868 0.002 0.000 0.863 17 T HN 0.167 nan 8.240 nan 0.000 0.436 18 L N 0.503 121.731 121.223 0.008 0.000 2.046 18 L HA -0.015 4.325 4.340 -0.001 0.000 0.208 18 L C 3.280 180.156 176.870 0.011 0.000 1.077 18 L CA 1.824 56.671 54.840 0.013 0.000 0.747 18 L CB -0.537 41.532 42.059 0.016 0.000 0.896 18 L HN 0.320 nan 8.230 nan 0.000 0.432 19 R N 0.114 120.619 120.500 0.008 0.000 2.092 19 R HA -0.163 4.177 4.340 -0.001 0.000 0.231 19 R C 2.501 178.802 176.300 0.002 0.000 1.119 19 R CA 1.112 57.216 56.100 0.007 0.000 0.970 19 R CB -0.181 30.122 30.300 0.006 0.000 0.864 19 R HN 0.207 nan 8.270 nan 0.000 0.440 20 R N 0.423 120.921 120.500 -0.002 0.000 2.081 20 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 20 R C 2.118 178.410 176.300 -0.014 0.000 1.131 20 R CA 1.756 57.851 56.100 -0.009 0.000 0.960 20 R CB -0.187 30.106 30.300 -0.012 0.000 0.856 20 R HN 0.316 nan 8.270 nan 0.000 0.436 21 M N -0.219 119.376 119.600 -0.008 0.000 2.254 21 M HA -0.090 4.390 4.480 -0.001 0.000 0.265 21 M C 2.165 178.465 176.300 -0.000 0.000 1.066 21 M CA 1.361 56.655 55.300 -0.010 0.000 1.123 21 M CB -0.104 32.498 32.600 0.004 0.000 1.388 21 M HN 0.072 nan 8.290 nan 0.000 0.425 22 R N 0.447 120.953 120.500 0.009 0.000 2.120 22 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 22 R C 1.963 178.268 176.300 0.009 0.000 1.123 22 R CA 1.028 57.138 56.100 0.016 0.000 0.975 22 R CB -0.413 29.898 30.300 0.018 0.000 0.866 22 R HN 0.457 nan 8.270 nan 0.000 0.446 23 K N 0.452 120.851 120.400 -0.001 0.000 2.097 23 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 23 K C 2.088 178.680 176.600 -0.014 0.000 1.050 23 K CA 1.154 57.437 56.287 -0.006 0.000 0.938 23 K CB -0.034 32.460 32.500 -0.010 0.000 0.718 23 K HN 0.018 nan 8.250 nan 0.000 0.442 24 V N 1.033 120.931 119.914 -0.027 0.000 2.427 24 V HA -0.180 3.940 4.120 -0.001 0.000 0.248 24 V C 2.287 178.365 176.094 -0.027 0.000 1.051 24 V CA 1.215 63.485 62.300 -0.049 0.000 1.048 24 V CB -0.258 31.509 31.823 -0.094 0.000 0.666 24 V HN 0.048 nan 8.190 nan 0.000 0.456 25 V N 0.926 120.841 119.914 0.001 0.000 2.392 25 V HA -0.258 3.862 4.120 -0.001 0.000 0.249 25 V C 2.364 178.478 176.094 0.033 0.000 1.059 25 V CA 2.126 64.447 62.300 0.034 0.000 1.051 25 V CB -0.804 31.051 31.823 0.055 0.000 0.658 25 V HN 0.592 nan 8.190 nan 0.000 0.455 26 N N 0.004 118.717 118.700 0.022 0.000 2.166 26 N HA -0.059 4.681 4.740 -0.001 0.000 0.186 26 N C 1.748 177.269 175.510 0.018 0.000 1.019 26 N CA 1.434 54.498 53.050 0.022 0.000 0.856 26 N CB -0.231 38.266 38.487 0.016 0.000 0.993 26 N HN 0.448 nan 8.380 nan 0.000 0.426 27 I N 0.830 121.405 120.570 0.007 0.000 2.202 27 I HA -0.198 3.972 4.170 -0.001 0.000 0.242 27 I C 2.075 178.199 176.117 0.013 0.000 1.091 27 I CA 0.799 62.101 61.300 0.004 0.000 1.368 27 I CB -0.199 37.793 38.000 -0.012 0.000 1.058 27 I HN 0.012 nan 8.210 nan 0.000 0.410 28 I N 0.922 121.500 120.570 0.014 0.000 2.163 28 I HA -0.346 3.823 4.170 -0.001 0.000 0.243 28 I C 2.330 178.475 176.117 0.046 0.000 1.085 28 I CA 1.449 62.770 61.300 0.035 0.000 1.347 28 I CB -0.527 37.507 38.000 0.056 0.000 1.044 28 I HN 0.308 nan 8.210 nan 0.000 0.408 29 N N 1.078 119.806 118.700 0.047 0.000 2.036 29 N HA -0.184 4.556 4.740 -0.001 0.000 0.195 29 N C 1.833 177.367 175.510 0.040 0.000 1.037 29 N CA 1.841 54.920 53.050 0.049 0.000 0.855 29 N CB -0.505 38.011 38.487 0.048 0.000 1.033 29 N HN 0.384 nan 8.380 nan 0.000 0.423 30 A N 0.378 123.217 122.820 0.032 0.000 2.070 30 A HA -0.050 4.269 4.320 -0.001 0.000 0.220 30 A C 2.095 179.697 177.584 0.030 0.000 1.159 30 A CA 1.002 53.056 52.037 0.028 0.000 0.656 30 A CB -0.441 18.572 19.000 0.022 0.000 0.800 30 A HN 0.267 nan 8.150 nan 0.000 0.453 31 M N -1.111 118.510 119.600 0.034 0.000 2.618 31 M HA -0.012 4.468 4.480 -0.001 0.000 0.240 31 M C 1.781 178.105 176.300 0.041 0.000 1.123 31 M CA 0.721 56.045 55.300 0.039 0.000 1.060 31 M CB 0.017 32.645 32.600 0.047 0.000 1.535 31 M HN 0.630 nan 8.290 nan 0.000 0.507 32 E N 0.904 121.128 120.200 0.039 0.000 2.072 32 E HA -0.137 4.213 4.350 -0.001 0.000 0.190 32 E C -0.981 175.639 176.600 0.034 0.000 0.982 32 E CA 0.928 57.351 56.400 0.038 0.000 0.803 32 E CB -0.473 29.251 29.700 0.039 0.000 0.755 32 E HN 0.256 nan 8.360 nan 0.000 0.453 33 P HA -0.227 nan 4.420 nan 0.000 0.213 33 P C 1.091 178.408 177.300 0.027 0.000 1.170 33 P CA 1.445 64.562 63.100 0.027 0.000 0.902 33 P CB -0.152 31.562 31.700 0.024 0.000 0.789 34 E N -0.829 119.388 120.200 0.029 0.000 2.108 34 E HA -0.244 4.106 4.350 -0.001 0.000 0.203 34 E C 1.786 178.405 176.600 0.032 0.000 1.022 34 E CA 1.703 58.120 56.400 0.029 0.000 0.823 34 E CB -0.334 29.386 29.700 0.033 0.000 0.744 34 E HN 0.035 nan 8.360 nan 0.000 0.456 35 M N 0.201 119.823 119.600 0.037 0.000 2.254 35 M HA -0.087 4.393 4.480 -0.001 0.000 0.265 35 M C 1.817 178.139 176.300 0.037 0.000 1.066 35 M CA 1.272 56.596 55.300 0.041 0.000 1.123 35 M CB -0.649 31.978 32.600 0.045 0.000 1.388 35 M HN 0.120 nan 8.290 nan 0.000 0.425 36 E N -0.287 119.932 120.200 0.032 0.000 2.274 36 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 36 E C 1.748 178.365 176.600 0.028 0.000 0.996 36 E CA 0.536 56.953 56.400 0.029 0.000 0.840 36 E CB 0.022 29.736 29.700 0.025 0.000 0.772 36 E HN 0.366 nan 8.360 nan 0.000 0.491 37 K N 0.602 121.017 120.400 0.026 0.000 2.487 37 K HA 0.016 4.336 4.320 -0.001 0.000 0.192 37 K C -0.254 176.359 176.600 0.020 0.000 1.027 37 K CA -0.035 56.264 56.287 0.021 0.000 1.054 37 K CB 0.243 32.754 32.500 0.018 0.000 0.824 37 K HN -0.019 nan 8.250 nan 0.000 0.510 38 L N 1.252 122.490 121.223 0.025 0.000 2.350 38 L HA 0.074 4.414 4.340 -0.001 0.000 0.275 38 L C 0.612 177.498 176.870 0.026 0.000 1.099 38 L CA 0.082 54.934 54.840 0.020 0.000 0.808 38 L CB 1.247 43.319 42.059 0.022 0.000 1.149 38 L HN 0.011 nan 8.230 nan 0.000 0.442 39 S N 0.303 116.007 115.700 0.007 0.000 2.584 39 S HA 0.081 4.550 4.470 -0.001 0.000 0.270 39 S C 0.717 175.313 174.600 -0.007 0.000 1.346 39 S CA -0.615 57.586 58.200 0.002 0.000 1.018 39 S CB 0.558 63.745 63.200 -0.021 0.000 0.899 39 S HN 0.606 nan 8.310 nan 0.000 0.542 40 D N 1.210 121.607 120.400 -0.005 0.000 2.133 40 D HA -0.157 4.483 4.640 -0.001 0.000 0.192 40 D C 1.702 177.814 176.300 -0.314 0.000 1.001 40 D CA 1.868 55.792 54.000 -0.126 0.000 0.844 40 D CB -0.344 40.397 40.800 -0.099 0.000 0.944 40 D HN 0.779 nan 8.370 nan 0.000 0.447 41 E N 0.497 120.578 120.200 -0.198 0.000 2.152 41 E HA -0.099 4.251 4.350 -0.001 0.000 0.192 41 E C 1.888 178.400 176.600 -0.146 0.000 0.983 41 E CA 0.709 56.996 56.400 -0.187 0.000 0.818 41 E CB 0.011 29.638 29.700 -0.121 0.000 0.758 41 E HN 0.350 nan 8.360 nan 0.000 0.467 42 E N -0.236 119.902 120.200 -0.103 0.000 2.072 42 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 42 E C 2.086 178.634 176.600 -0.085 0.000 0.985 42 E CA 0.820 57.172 56.400 -0.080 0.000 0.801 42 E CB -0.092 29.580 29.700 -0.048 0.000 0.750 42 E HN 0.234 nan 8.360 nan 0.000 0.452 43 L N 0.993 122.173 121.223 -0.071 0.000 1.990 43 L HA -0.273 4.067 4.340 -0.001 0.000 0.213 43 L C 2.602 179.423 176.870 -0.082 0.000 1.072 43 L CA 1.459 56.282 54.840 -0.027 0.000 0.755 43 L CB -0.357 41.779 42.059 0.130 0.000 0.889 43 L HN 0.068 nan 8.230 nan 0.000 0.432 44 K N -0.132 120.137 120.400 -0.217 0.000 2.089 44 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 44 K C 1.848 178.395 176.600 -0.089 0.000 1.048 44 K CA 1.628 57.812 56.287 -0.172 0.000 0.926 44 K CB -0.378 31.978 32.500 -0.240 0.000 0.714 44 K HN 0.416 nan 8.250 nan 0.000 0.448 45 G N 0.321 109.055 108.800 -0.110 0.000 2.534 45 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.217 45 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.217 45 G C 1.128 175.928 174.900 -0.166 0.000 1.128 45 G CA 0.131 45.166 45.100 -0.108 0.000 0.784 45 G HN 0.142 nan 8.290 nan 0.000 0.542 46 K N 0.741 121.004 120.400 -0.229 0.000 2.097 46 K HA -0.060 4.260 4.320 -0.001 0.000 0.206 46 K C 2.568 178.797 176.600 -0.619 0.000 1.049 46 K CA 1.298 57.261 56.287 -0.541 0.000 0.933 46 K CB -0.962 31.205 32.500 -0.555 0.000 0.717 46 K HN 0.246 nan 8.250 nan 0.000 0.442 47 T N 1.614 116.084 114.554 -0.140 0.000 2.684 47 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 47 T C 2.014 176.722 174.700 0.013 0.000 1.036 47 T CA 1.677 63.825 62.100 0.081 0.000 1.148 47 T CB -0.296 68.685 68.868 0.188 0.000 0.863 47 T HN 0.344 nan 8.240 nan 0.000 0.436 48 A N 1.275 124.073 122.820 -0.037 0.000 1.908 48 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 48 A C 2.243 179.807 177.584 -0.033 0.000 1.181 48 A CA 2.022 54.042 52.037 -0.027 0.000 0.627 48 A CB -0.621 18.356 19.000 -0.038 0.000 0.818 48 A HN 0.651 nan 8.150 nan 0.000 0.445 49 E N -1.153 118.982 120.200 -0.109 0.000 2.047 49 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 49 E C 1.711 178.338 176.600 0.046 0.000 0.987 49 E CA 1.109 57.453 56.400 -0.093 0.000 0.799 49 E CB -0.253 29.322 29.700 -0.208 0.000 0.752 49 E HN 0.489 nan 8.360 nan 0.000 0.449 50 F N 1.460 121.438 119.950 0.047 0.000 2.087 50 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 50 F C 2.487 178.293 175.800 0.010 0.000 1.100 50 F CA 1.404 59.428 58.000 0.040 0.000 1.226 50 F CB -0.918 38.126 39.000 0.074 0.000 0.983 50 F HN 0.038 nan 8.300 nan 0.000 0.479 51 R N -0.074 120.531 120.500 0.176 0.000 2.115 51 R HA -0.027 4.313 4.340 -0.001 0.000 0.230 51 R C 2.352 178.684 176.300 0.053 0.000 1.111 51 R CA 1.043 57.192 56.100 0.081 0.000 0.976 51 R CB -0.719 29.608 30.300 0.045 0.000 0.870 51 R HN 0.280 nan 8.270 nan 0.000 0.445 52 A N 1.303 124.154 122.820 0.052 0.000 1.930 52 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 52 A C 2.063 179.671 177.584 0.041 0.000 1.175 52 A CA 1.014 53.072 52.037 0.034 0.000 0.627 52 A CB -0.191 18.823 19.000 0.024 0.000 0.815 52 A HN 0.183 nan 8.150 nan 0.000 0.443 53 R N -0.496 120.044 120.500 0.067 0.000 2.073 53 R HA 0.110 4.449 4.340 -0.001 0.000 0.229 53 R C 2.008 178.333 176.300 0.041 0.000 1.120 53 R CA 1.078 57.215 56.100 0.061 0.000 0.967 53 R CB -0.471 29.887 30.300 0.095 0.000 0.862 53 R HN 0.457 nan 8.270 nan 0.000 0.436 54 L N 0.839 122.088 121.223 0.044 0.000 2.012 54 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 54 L C 2.713 179.587 176.870 0.007 0.000 1.073 54 L CA 1.308 56.158 54.840 0.017 0.000 0.748 54 L CB -0.466 41.600 42.059 0.012 0.000 0.891 54 L HN 0.283 nan 8.230 nan 0.000 0.431 55 E N 0.923 121.129 120.200 0.010 0.000 2.118 55 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 55 E C 1.604 178.207 176.600 0.004 0.000 0.992 55 E CA 1.264 57.666 56.400 0.004 0.000 0.804 55 E CB 0.082 29.785 29.700 0.006 0.000 0.741 55 E HN 0.438 nan 8.360 nan 0.000 0.458 56 K N -0.705 119.701 120.400 0.010 0.000 2.522 56 K HA 0.069 4.389 4.320 -0.001 0.000 0.194 56 K C 0.781 177.384 176.600 0.004 0.000 1.026 56 K CA 0.537 56.829 56.287 0.007 0.000 1.119 56 K CB 0.268 32.775 32.500 0.011 0.000 0.856 56 K HN 0.266 nan 8.250 nan 0.000 0.513 57 G N 2.186 110.986 108.800 0.001 0.000 2.144 57 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.218 57 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.218 57 G C -0.153 174.744 174.900 -0.005 0.000 0.988 57 G CA -0.023 45.075 45.100 -0.004 0.000 0.659 57 G HN 0.389 nan 8.290 nan 0.000 0.522 58 E N 0.304 120.503 120.200 -0.002 0.000 2.373 58 E HA 0.534 4.884 4.350 -0.001 0.000 0.263 58 E C 0.551 177.140 176.600 -0.019 0.000 1.073 58 E CA -0.385 56.012 56.400 -0.006 0.000 0.894 58 E CB 1.145 30.848 29.700 0.006 0.000 1.008 58 E HN 0.349 nan 8.360 nan 0.000 0.420 59 V N 5.989 125.886 119.914 -0.028 0.000 2.465 59 V HA 0.055 4.175 4.120 -0.001 0.000 0.279 59 V C 1.286 177.346 176.094 -0.057 0.000 1.045 59 V CA -0.271 62.006 62.300 -0.039 0.000 0.938 59 V CB 1.197 32.997 31.823 -0.038 0.000 0.986 59 V HN 0.819 nan 8.190 nan 0.000 0.467 60 L N 4.461 125.646 121.223 -0.063 0.000 2.079 60 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 60 L C 2.145 178.946 176.870 -0.115 0.000 1.081 60 L CA 1.928 56.716 54.840 -0.087 0.000 0.752 60 L CB -0.315 41.696 42.059 -0.080 0.000 0.896 60 L HN 0.743 nan 8.230 nan 0.000 0.433 61 E N -0.201 119.936 120.200 -0.105 0.000 2.204 61 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 61 E C 1.929 178.445 176.600 -0.140 0.000 0.990 61 E CA 0.764 57.087 56.400 -0.129 0.000 0.821 61 E CB -0.478 29.160 29.700 -0.104 0.000 0.750 61 E HN 0.481 nan 8.360 nan 0.000 0.477 62 N N 0.040 118.675 118.700 -0.108 0.000 2.364 62 N HA -0.103 4.637 4.740 -0.001 0.000 0.183 62 N C 1.237 176.669 175.510 -0.129 0.000 1.022 62 N CA 0.727 53.719 53.050 -0.098 0.000 0.883 62 N CB 0.010 38.461 38.487 -0.062 0.000 0.965 62 N HN 0.266 nan 8.380 nan 0.000 0.438 63 L N -0.022 121.094 121.223 -0.177 0.000 2.558 63 L HA 0.152 4.492 4.340 -0.001 0.000 0.225 63 L C 1.844 178.522 176.870 -0.320 0.000 1.128 63 L CA -0.009 54.664 54.840 -0.278 0.000 0.868 63 L CB -0.084 41.747 42.059 -0.379 0.000 1.006 63 L HN 0.051 nan 8.230 nan 0.000 0.454 64 I N 0.897 121.279 120.570 -0.312 0.000 2.127 64 I HA -0.225 3.945 4.170 -0.001 0.000 0.241 64 I C -0.188 175.671 176.117 -0.431 0.000 1.075 64 I CA 1.725 62.723 61.300 -0.502 0.000 1.334 64 I CB -1.306 36.307 38.000 -0.644 0.000 1.040 64 I HN 0.210 nan 8.210 nan 0.000 0.405 65 P HA -0.198 nan 4.420 nan 0.000 0.214 65 P C 1.310 178.585 177.300 -0.041 0.000 1.163 65 P CA 1.651 64.665 63.100 -0.143 0.000 0.889 65 P CB -0.075 31.573 31.700 -0.088 0.000 0.790 66 E N -0.660 119.522 120.200 -0.030 0.000 2.072 66 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 66 E C 2.121 178.815 176.600 0.157 0.000 0.985 66 E CA 1.137 57.599 56.400 0.104 0.000 0.801 66 E CB -0.569 29.255 29.700 0.207 0.000 0.750 66 E HN 0.142 nan 8.360 nan 0.000 0.452 67 A N 1.171 123.938 122.820 -0.087 0.000 1.877 67 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 67 A C 1.885 179.610 177.584 0.236 0.000 1.186 67 A CA 1.140 53.210 52.037 0.055 0.000 0.620 67 A CB -0.633 18.355 19.000 -0.020 0.000 0.822 67 A HN 0.128 nan 8.150 nan 0.000 0.443 68 F N 0.202 120.104 119.950 -0.079 0.000 2.186 68 F HA -0.036 4.491 4.527 -0.001 0.000 0.299 68 F C 2.814 178.531 175.800 -0.138 0.000 1.090 68 F CA 0.285 58.210 58.000 -0.126 0.000 1.307 68 F CB -1.060 37.879 39.000 -0.101 0.000 1.019 68 F HN 0.269 nan 8.300 nan 0.000 0.489 69 A N -0.228 122.667 122.820 0.126 0.000 1.933 69 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 69 A C 2.446 180.048 177.584 0.030 0.000 1.175 69 A CA 1.861 53.936 52.037 0.064 0.000 0.628 69 A CB -1.167 17.883 19.000 0.082 0.000 0.814 69 A HN 0.180 nan 8.150 nan 0.000 0.444 70 V N -0.538 119.410 119.914 0.057 0.000 2.307 70 V HA -0.208 3.912 4.120 -0.001 0.000 0.245 70 V C 2.579 178.608 176.094 -0.108 0.000 1.045 70 V CA 1.931 64.248 62.300 0.028 0.000 1.024 70 V CB -0.688 31.220 31.823 0.142 0.000 0.651 70 V HN 0.378 nan 8.190 nan 0.000 0.449 71 V N 0.209 119.979 119.914 -0.240 0.000 2.295 71 V HA -0.283 3.837 4.120 -0.001 0.000 0.246 71 V C 2.559 178.506 176.094 -0.246 0.000 1.049 71 V CA 2.423 64.524 62.300 -0.332 0.000 1.024 71 V CB -0.827 30.728 31.823 -0.447 0.000 0.648 71 V HN 0.523 nan 8.190 nan 0.000 0.447 72 R N 0.399 120.746 120.500 -0.256 0.000 2.117 72 R HA -0.265 4.074 4.340 -0.001 0.000 0.243 72 R C 2.199 178.476 176.300 -0.038 0.000 1.143 72 R CA 2.289 58.339 56.100 -0.083 0.000 0.968 72 R CB -0.266 29.996 30.300 -0.065 0.000 0.863 72 R HN 0.568 nan 8.270 nan 0.000 0.444 73 E N -0.247 119.914 120.200 -0.066 0.000 2.122 73 E HA 0.026 4.375 4.350 -0.001 0.000 0.190 73 E C 1.717 178.222 176.600 -0.158 0.000 0.977 73 E CA 1.300 57.662 56.400 -0.062 0.000 0.820 73 E CB -0.177 29.519 29.700 -0.007 0.000 0.770 73 E HN 0.415 nan 8.360 nan 0.000 0.462 74 A N 0.076 122.765 122.820 -0.218 0.000 1.933 74 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 74 A C 2.410 179.611 177.584 -0.637 0.000 1.175 74 A CA 1.977 53.694 52.037 -0.534 0.000 0.628 74 A CB -0.978 17.814 19.000 -0.348 0.000 0.814 74 A HN 0.325 nan 8.150 nan 0.000 0.444 75 S N -0.600 114.862 115.700 -0.397 0.000 2.371 75 S HA -0.141 4.328 4.470 -0.001 0.000 0.224 75 S C 1.991 176.429 174.600 -0.270 0.000 1.029 75 S CA 1.661 59.630 58.200 -0.386 0.000 0.978 75 S CB -0.262 62.900 63.200 -0.062 0.000 0.833 75 S HN 0.613 nan 8.310 nan 0.000 0.466 76 K N 0.512 120.803 120.400 -0.180 0.000 2.057 76 K HA 0.026 4.345 4.320 -0.001 0.000 0.206 76 K C 2.528 179.036 176.600 -0.154 0.000 1.050 76 K CA 1.170 57.385 56.287 -0.119 0.000 0.935 76 K CB -0.146 32.310 32.500 -0.072 0.000 0.715 76 K HN 0.287 nan 8.250 nan 0.000 0.439 77 R N 0.328 120.682 120.500 -0.244 0.000 2.075 77 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 77 R C 2.257 178.379 176.300 -0.296 0.000 1.126 77 R CA 1.201 57.151 56.100 -0.250 0.000 0.963 77 R CB -0.210 29.907 30.300 -0.306 0.000 0.858 77 R HN 0.020 nan 8.270 nan 0.000 0.435 78 V N -0.385 119.240 119.914 -0.481 0.000 2.374 78 V HA -0.085 4.035 4.120 -0.001 0.000 0.241 78 V C 1.558 177.522 176.094 -0.216 0.000 1.034 78 V CA 1.406 63.422 62.300 -0.472 0.000 1.037 78 V CB -0.248 31.082 31.823 -0.822 0.000 0.682 78 V HN 0.123 nan 8.190 nan 0.000 0.463 79 F N 0.577 120.405 119.950 -0.204 0.000 2.714 79 F HA 0.455 4.982 4.527 -0.000 0.000 0.294 79 F C 1.962 177.677 175.800 -0.141 0.000 1.120 79 F CA 0.175 58.074 58.000 -0.168 0.000 1.398 79 F CB -0.791 38.093 39.000 -0.194 0.000 1.120 79 F HN 0.299 nan 8.300 nan 0.000 0.589 80 G N 1.234 110.055 108.800 0.036 0.000 2.176 80 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.252 80 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.252 80 G C 0.046 174.942 174.900 -0.005 0.000 1.024 80 G CA 0.225 45.326 45.100 0.001 0.000 0.755 80 G HN 0.284 nan 8.290 nan 0.000 0.507 81 M N -0.808 118.789 119.600 -0.006 0.000 2.326 81 M HA 0.447 4.927 4.480 -0.001 0.000 0.292 81 M C 0.011 176.245 176.300 -0.109 0.000 1.081 81 M CA -0.701 54.552 55.300 -0.079 0.000 0.919 81 M CB 2.415 34.942 32.600 -0.120 0.000 1.634 81 M HN 0.130 nan 8.290 nan 0.000 0.451 82 R N 1.976 122.391 120.500 -0.141 0.000 2.288 82 R HA 0.382 4.722 4.340 -0.001 0.000 0.326 82 R C -1.036 175.138 176.300 -0.210 0.000 0.959 82 R CA -0.728 55.325 56.100 -0.078 0.000 0.834 82 R CB 0.638 30.936 30.300 -0.003 0.000 1.157 82 R HN 0.684 nan 8.270 nan 0.000 0.470 83 H N 3.396 122.323 119.070 -0.239 0.000 3.209 83 H HA -0.136 4.420 4.556 -0.001 0.000 0.297 83 H C -0.158 175.072 175.328 -0.162 0.000 0.936 83 H CA 1.070 56.954 56.048 -0.272 0.000 1.392 83 H CB -0.078 29.599 29.762 -0.141 0.000 1.349 83 H HN 0.257 nan 8.280 nan 0.000 0.568 84 F N 1.561 121.574 119.950 0.105 0.000 2.444 84 F HA 0.019 4.546 4.527 -0.001 0.000 0.331 84 F C 1.746 177.604 175.800 0.096 0.000 1.167 84 F CA -0.660 57.388 58.000 0.079 0.000 1.262 84 F CB 0.338 39.367 39.000 0.048 0.000 1.196 84 F HN 0.508 nan 8.300 nan 0.000 0.583 85 D N 0.694 121.271 120.400 0.295 0.000 2.133 85 D HA -0.178 4.462 4.640 -0.001 0.000 0.192 85 D C 2.323 178.731 176.300 0.179 0.000 1.001 85 D CA 2.045 56.159 54.000 0.189 0.000 0.844 85 D CB -0.503 40.377 40.800 0.134 0.000 0.944 85 D HN 0.361 nan 8.370 nan 0.000 0.447 86 V N -1.377 118.649 119.914 0.187 0.000 2.720 86 V HA -0.206 3.913 4.120 -0.001 0.000 0.256 86 V C 1.869 178.061 176.094 0.164 0.000 1.082 86 V CA 1.401 63.792 62.300 0.151 0.000 1.101 86 V CB -0.782 31.114 31.823 0.122 0.000 0.693 86 V HN 0.134 nan 8.190 nan 0.000 0.479 87 Q N 0.109 120.032 119.800 0.205 0.000 2.187 87 Q HA 0.122 4.462 4.340 -0.001 0.000 0.199 87 Q C 2.279 178.373 176.000 0.158 0.000 0.957 87 Q CA 1.436 57.339 55.803 0.167 0.000 0.857 87 Q CB -0.187 28.635 28.738 0.139 0.000 0.929 87 Q HN 0.621 nan 8.270 nan 0.000 0.453 88 L N 0.348 121.679 121.223 0.180 0.000 2.046 88 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 88 L C 2.278 179.309 176.870 0.269 0.000 1.077 88 L CA 1.052 56.034 54.840 0.236 0.000 0.747 88 L CB -0.495 41.708 42.059 0.241 0.000 0.896 88 L HN 0.274 nan 8.230 nan 0.000 0.432 89 L N -0.359 120.971 121.223 0.178 0.000 2.046 89 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 89 L C 2.665 179.615 176.870 0.135 0.000 1.077 89 L CA 1.487 56.410 54.840 0.138 0.000 0.747 89 L CB -1.149 40.968 42.059 0.097 0.000 0.896 89 L HN 0.348 nan 8.230 nan 0.000 0.432 90 G N -0.488 108.386 108.800 0.123 0.000 2.408 90 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.217 90 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.217 90 G C 1.570 176.538 174.900 0.114 0.000 1.150 90 G CA 0.664 45.819 45.100 0.093 0.000 0.776 90 G HN 0.487 nan 8.290 nan 0.000 0.542 91 G N 0.586 109.476 108.800 0.149 0.000 2.432 91 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.219 91 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.219 91 G C 1.842 176.958 174.900 0.361 0.000 1.135 91 G CA 0.877 46.071 45.100 0.157 0.000 0.767 91 G HN 0.419 nan 8.290 nan 0.000 0.550 92 M N -0.120 119.703 119.600 0.370 0.000 2.156 92 M HA -0.009 4.471 4.480 -0.001 0.000 0.264 92 M C 2.692 179.056 176.300 0.107 0.000 1.067 92 M CA 0.733 56.157 55.300 0.207 0.000 1.131 92 M CB -0.143 32.505 32.600 0.081 0.000 1.368 92 M HN 0.098 nan 8.290 nan 0.000 0.416 93 V N 0.881 120.847 119.914 0.087 0.000 2.332 93 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 93 V C 2.129 178.248 176.094 0.041 0.000 1.055 93 V CA 1.662 63.988 62.300 0.043 0.000 1.038 93 V CB -0.641 31.198 31.823 0.027 0.000 0.651 93 V HN 0.477 nan 8.190 nan 0.000 0.450 94 L N 0.219 121.484 121.223 0.070 0.000 2.465 94 L HA -0.045 4.295 4.340 -0.001 0.000 0.224 94 L C 2.123 179.072 176.870 0.132 0.000 1.145 94 L CA 0.912 55.802 54.840 0.083 0.000 0.834 94 L CB -0.576 41.538 42.059 0.092 0.000 0.944 94 L HN 0.386 nan 8.230 nan 0.000 0.451 95 N N -0.140 118.613 118.700 0.088 0.000 2.457 95 N HA -0.076 4.664 4.740 -0.001 0.000 0.180 95 N C 0.568 176.057 175.510 -0.035 0.000 1.050 95 N CA 0.394 53.439 53.050 -0.008 0.000 0.906 95 N CB 0.372 38.859 38.487 0.001 0.000 0.968 95 N HN 0.348 nan 8.380 nan 0.000 0.445 96 E N -0.197 120.003 120.200 0.001 0.000 2.330 96 E HA 0.103 4.453 4.350 -0.001 0.000 0.256 96 E C -0.351 176.254 176.600 0.009 0.000 1.146 96 E CA -0.795 55.602 56.400 -0.004 0.000 0.945 96 E CB 0.866 30.562 29.700 -0.006 0.000 1.182 96 E HN 0.045 nan 8.360 nan 0.000 0.480 97 R N 0.701 121.203 120.500 0.003 0.000 2.893 97 R HA 0.203 4.542 4.340 -0.001 0.000 0.243 97 R C -1.473 174.814 176.300 -0.021 0.000 1.481 97 R CA 0.075 56.176 56.100 0.001 0.000 1.250 97 R CB -0.486 29.824 30.300 0.018 0.000 1.213 97 R HN 0.357 nan 8.270 nan 0.000 0.609 98 C N 4.563 123.831 119.300 -0.053 0.000 2.985 98 C HA 0.429 4.889 4.460 -0.001 0.000 0.332 98 C C -0.941 173.952 174.990 -0.162 0.000 1.164 98 C CA -1.044 57.923 59.018 -0.085 0.000 1.347 98 C CB 1.541 29.253 27.740 -0.047 0.000 1.764 98 C HN 0.584 nan 8.230 nan 0.000 0.489 99 I N 3.506 123.930 120.570 -0.245 0.000 2.342 99 I HA 0.408 4.578 4.170 -0.001 0.000 0.291 99 I C 0.789 176.786 176.117 -0.200 0.000 1.010 99 I CA -0.175 60.923 61.300 -0.336 0.000 1.308 99 I CB 0.693 38.304 38.000 -0.648 0.000 1.400 99 I HN 0.782 nan 8.210 nan 0.000 0.488 100 A N 6.651 129.381 122.820 -0.150 0.000 2.269 100 A HA 0.363 4.683 4.320 -0.001 0.000 0.302 100 A C 0.260 177.790 177.584 -0.090 0.000 1.266 100 A CA -0.549 51.438 52.037 -0.084 0.000 0.894 100 A CB -0.000 18.977 19.000 -0.039 0.000 1.147 100 A HN 0.712 nan 8.150 nan 0.000 0.537 101 E N 2.428 122.589 120.200 -0.066 0.000 2.105 101 E HA 0.362 4.712 4.350 -0.001 0.000 0.285 101 E C -0.817 175.777 176.600 -0.011 0.000 1.055 101 E CA 0.279 56.655 56.400 -0.040 0.000 0.843 101 E CB 0.706 30.393 29.700 -0.022 0.000 1.067 101 E HN 0.674 nan 8.360 nan 0.000 0.398 102 M N 2.598 122.195 119.600 -0.006 0.000 2.326 102 M HA 0.316 4.796 4.480 -0.001 0.000 0.306 102 M C -0.139 176.170 176.300 0.016 0.000 1.054 102 M CA -0.683 54.624 55.300 0.013 0.000 0.922 102 M CB 2.332 34.943 32.600 0.018 0.000 1.632 102 M HN 0.245 nan 8.290 nan 0.000 0.436 103 R N 0.888 121.403 120.500 0.024 0.000 2.641 103 R HA 0.239 4.579 4.340 -0.001 0.000 0.269 103 R C -0.628 175.688 176.300 0.025 0.000 1.074 103 R CA 0.220 56.335 56.100 0.025 0.000 1.133 103 R CB 0.862 31.178 30.300 0.028 0.000 1.029 103 R HN 0.660 nan 8.270 nan 0.000 0.488 104 T N 1.566 116.134 114.554 0.023 0.000 2.908 104 T HA 0.137 4.486 4.350 -0.001 0.000 0.301 104 T C 0.965 175.681 174.700 0.027 0.000 1.019 104 T CA 1.449 63.561 62.100 0.020 0.000 1.152 104 T CB 0.493 69.372 68.868 0.018 0.000 0.966 104 T HN 0.792 nan 8.240 nan 0.000 0.540 105 G N 3.184 111.999 108.800 0.025 0.000 2.159 105 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.256 105 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.256 105 G C 0.767 175.699 174.900 0.054 0.000 0.977 105 G CA 0.047 45.166 45.100 0.032 0.000 0.652 105 G HN 0.682 nan 8.290 nan 0.000 0.531 106 E N 0.070 120.304 120.200 0.057 0.000 2.481 106 E HA 0.281 4.631 4.350 -0.001 0.000 0.195 106 E C 1.812 178.473 176.600 0.102 0.000 1.047 106 E CA 1.117 57.572 56.400 0.092 0.000 0.867 106 E CB -0.035 29.712 29.700 0.078 0.000 0.858 106 E HN 1.629 nan 8.360 nan 0.000 0.513 107 G N 1.963 110.790 108.800 0.045 0.000 2.181 107 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.152 107 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.152 107 G C 0.782 175.669 174.900 -0.021 0.000 1.026 107 G CA 0.215 45.313 45.100 -0.004 0.000 0.699 107 G HN 0.174 nan 8.290 nan 0.000 0.497 108 K N -0.473 119.925 120.400 -0.004 0.000 2.173 108 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 108 K C 2.501 179.099 176.600 -0.003 0.000 1.046 108 K CA 1.901 58.188 56.287 -0.001 0.000 0.929 108 K CB -0.185 32.314 32.500 -0.003 0.000 0.720 108 K HN 0.423 nan 8.250 nan 0.000 0.453 109 T N 1.689 116.229 114.554 -0.023 0.000 2.737 109 T HA -0.118 4.231 4.350 -0.001 0.000 0.265 109 T C 1.739 176.428 174.700 -0.019 0.000 1.038 109 T CA 0.961 63.049 62.100 -0.020 0.000 1.144 109 T CB -0.149 68.684 68.868 -0.058 0.000 0.866 109 T HN 0.090 nan 8.240 nan 0.000 0.434 110 L N 1.012 122.182 121.223 -0.089 0.000 2.072 110 L HA -0.015 4.325 4.340 -0.001 0.000 0.205 110 L C 2.532 179.386 176.870 -0.026 0.000 1.079 110 L CA 1.790 56.552 54.840 -0.131 0.000 0.752 110 L CB -1.264 40.596 42.059 -0.332 0.000 0.906 110 L HN 0.177 nan 8.230 nan 0.000 0.436 111 T N 0.153 114.698 114.554 -0.016 0.000 2.685 111 T HA -0.280 4.070 4.350 -0.001 0.000 0.268 111 T C 1.839 176.586 174.700 0.079 0.000 1.034 111 T CA 1.622 63.764 62.100 0.069 0.000 1.149 111 T CB -0.619 68.278 68.868 0.047 0.000 0.860 111 T HN 0.540 nan 8.240 nan 0.000 0.449 112 A N 1.462 124.332 122.820 0.083 0.000 2.067 112 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 112 A C 2.570 180.267 177.584 0.188 0.000 1.158 112 A CA 2.020 54.124 52.037 0.111 0.000 0.661 112 A CB -1.102 17.964 19.000 0.109 0.000 0.801 112 A HN 0.678 nan 8.150 nan 0.000 0.452 113 T N -1.356 113.340 114.554 0.237 0.000 2.833 113 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 113 T C 1.779 176.640 174.700 0.269 0.000 1.054 113 T CA 1.377 63.706 62.100 0.381 0.000 1.135 113 T CB -0.631 68.400 68.868 0.272 0.000 0.869 113 T HN 0.335 nan 8.240 nan 0.000 0.466 114 L N 1.724 122.951 121.223 0.005 0.000 1.955 114 L HA -0.006 4.334 4.340 -0.001 0.000 0.213 114 L C 0.145 176.944 176.870 -0.118 0.000 1.072 114 L CA 1.713 56.330 54.840 -0.372 0.000 0.755 114 L CB -1.700 39.804 42.059 -0.926 0.000 0.888 114 L HN 0.252 nan 8.230 nan 0.000 0.432 115 P HA -0.139 nan 4.420 nan 0.000 0.223 115 P C 1.228 178.639 177.300 0.185 0.000 1.151 115 P CA 1.758 64.956 63.100 0.163 0.000 0.787 115 P CB 0.103 31.930 31.700 0.211 0.000 0.788 116 A N -0.159 122.790 122.820 0.215 0.000 1.841 116 A HA -0.208 4.112 4.320 -0.001 0.000 0.214 116 A C 2.376 179.994 177.584 0.057 0.000 1.195 116 A CA 1.335 53.470 52.037 0.163 0.000 0.611 116 A CB -1.973 17.121 19.000 0.156 0.000 0.835 116 A HN 0.096 nan 8.150 nan 0.000 0.443 117 Y N 0.063 120.386 120.300 0.039 0.000 2.040 117 Y HA -0.284 4.266 4.550 -0.001 0.000 0.275 117 Y C 2.138 178.076 175.900 0.065 0.000 1.171 117 Y CA 2.329 60.468 58.100 0.066 0.000 1.123 117 Y CB -0.602 37.987 38.460 0.215 0.000 0.963 117 Y HN 0.244 nan 8.280 nan 0.000 0.493 118 L N 1.025 122.347 121.223 0.166 0.000 2.043 118 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 118 L C 1.806 178.617 176.870 -0.098 0.000 1.075 118 L CA 2.230 57.108 54.840 0.062 0.000 0.752 118 L CB -0.760 41.430 42.059 0.218 0.000 0.891 118 L HN 0.337 nan 8.230 nan 0.000 0.432 119 N N -1.023 117.615 118.700 -0.103 0.000 2.398 119 N HA 0.076 4.816 4.740 -0.001 0.000 0.188 119 N C 1.521 177.032 175.510 0.001 0.000 1.122 119 N CA 0.777 53.752 53.050 -0.124 0.000 0.866 119 N CB 0.288 38.486 38.487 -0.481 0.000 0.970 119 N HN 0.452 nan 8.380 nan 0.000 0.462 120 A N 0.891 123.661 122.820 -0.084 0.000 1.975 120 A HA 0.068 4.387 4.320 -0.001 0.000 0.215 120 A C 2.247 179.751 177.584 -0.134 0.000 1.170 120 A CA 0.250 52.225 52.037 -0.103 0.000 0.656 120 A CB -0.339 18.548 19.000 -0.188 0.000 0.821 120 A HN 0.134 nan 8.150 nan 0.000 0.449 121 L N 0.319 121.427 121.223 -0.192 0.000 2.021 121 L HA -0.231 4.108 4.340 -0.001 0.000 0.215 121 L C 2.709 179.527 176.870 -0.087 0.000 1.074 121 L CA 1.993 56.745 54.840 -0.147 0.000 0.760 121 L CB -1.099 40.875 42.059 -0.141 0.000 0.889 121 L HN 0.619 nan 8.230 nan 0.000 0.433 122 T N -2.853 111.644 114.554 -0.095 0.000 3.227 122 T HA 0.176 4.526 4.350 -0.001 0.000 0.257 122 T C 1.336 175.964 174.700 -0.121 0.000 1.162 122 T CA 0.402 62.441 62.100 -0.103 0.000 1.051 122 T CB -0.089 68.702 68.868 -0.129 0.000 0.953 122 T HN 0.581 nan 8.240 nan 0.000 0.535 123 G N 1.659 110.395 108.800 -0.106 0.000 2.147 123 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.244 123 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.244 123 G C 0.706 175.544 174.900 -0.105 0.000 1.005 123 G CA 0.226 45.277 45.100 -0.081 0.000 0.713 123 G HN 0.501 nan 8.290 nan 0.000 0.515 124 K N 0.021 120.307 120.400 -0.190 0.000 2.373 124 K HA 0.461 4.780 4.320 -0.001 0.000 0.200 124 K C 1.328 177.886 176.600 -0.070 0.000 1.054 124 K CA 0.682 56.822 56.287 -0.245 0.000 1.065 124 K CB 0.694 32.814 32.500 -0.634 0.000 0.886 124 K HN 1.755 nan 8.250 nan 0.000 0.546 125 G N 0.774 109.591 108.800 0.029 0.000 2.746 125 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.685 125 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.685 125 G C -1.042 174.010 174.900 0.254 0.000 1.350 125 G CA -0.694 44.495 45.100 0.148 0.000 0.837 125 G HN -0.051 nan 8.290 nan 0.000 0.564 126 V N 1.357 121.393 119.914 0.203 0.000 2.686 126 V HA 0.529 4.649 4.120 -0.001 0.000 0.306 126 V C -0.212 175.996 176.094 0.190 0.000 1.065 126 V CA -0.790 61.614 62.300 0.172 0.000 0.894 126 V CB 2.036 33.926 31.823 0.112 0.000 1.004 126 V HN 0.853 nan 8.190 nan 0.000 0.424 127 H N 2.991 122.013 119.070 -0.080 0.000 2.623 127 H HA 0.494 5.049 4.556 -0.001 0.000 0.299 127 H C -0.636 174.509 175.328 -0.305 0.000 1.052 127 H CA -0.791 55.134 56.048 -0.206 0.000 1.231 127 H CB 1.790 31.271 29.762 -0.468 0.000 1.389 127 H HN 0.424 nan 8.280 nan 0.000 0.469 128 V N 5.271 125.103 119.914 -0.136 0.000 2.461 128 V HA 0.072 4.192 4.120 -0.001 0.000 0.275 128 V C 0.194 176.330 176.094 0.069 0.000 1.047 128 V CA -0.515 61.666 62.300 -0.198 0.000 0.955 128 V CB 1.260 32.785 31.823 -0.497 0.000 0.988 128 V HN 0.448 nan 8.190 nan 0.000 0.471 129 V N 4.855 124.806 119.914 0.062 0.000 2.384 129 V HA 0.542 4.661 4.120 -0.001 0.000 0.287 129 V C 0.376 176.538 176.094 0.113 0.000 1.020 129 V CA -0.394 62.036 62.300 0.216 0.000 0.850 129 V CB 1.739 33.638 31.823 0.126 0.000 0.987 129 V HN 1.016 nan 8.190 nan 0.000 0.436 130 T N 0.764 115.407 114.554 0.148 0.000 2.918 130 T HA 0.485 4.835 4.350 -0.001 0.000 0.286 130 T C 1.030 175.773 174.700 0.072 0.000 1.026 130 T CA -0.111 62.046 62.100 0.095 0.000 1.031 130 T CB 1.810 70.742 68.868 0.108 0.000 1.046 130 T HN 0.522 nan 8.240 nan 0.000 0.479 131 V N -0.542 119.399 119.914 0.046 0.000 2.809 131 V HA 0.164 4.284 4.120 -0.001 0.000 0.256 131 V C 0.499 176.624 176.094 0.053 0.000 1.080 131 V CA 1.031 63.351 62.300 0.033 0.000 1.102 131 V CB -1.981 29.852 31.823 0.018 0.000 0.705 131 V HN 1.081 nan 8.190 nan 0.000 0.475 132 N N -2.351 116.391 118.700 0.069 0.000 2.934 132 N HA 0.277 5.017 4.740 -0.001 0.000 0.253 132 N C -0.218 175.341 175.510 0.082 0.000 1.466 132 N CA -0.271 52.827 53.050 0.081 0.000 0.858 132 N CB 0.628 39.169 38.487 0.090 0.000 1.459 132 N HN -0.169 nan 8.380 nan 0.000 0.532 133 D N -1.092 119.358 120.400 0.083 0.000 2.194 133 D HA -0.071 4.569 4.640 -0.001 0.000 0.204 133 D C 1.060 177.392 176.300 0.055 0.000 0.964 133 D CA 0.921 54.954 54.000 0.054 0.000 0.846 133 D CB -0.195 40.636 40.800 0.052 0.000 0.962 133 D HN 0.555 nan 8.370 nan 0.000 0.490 134 Y N 1.811 122.111 120.300 -0.001 0.000 2.097 134 Y HA -0.190 4.360 4.550 -0.000 0.000 0.282 134 Y C 2.145 178.036 175.900 -0.016 0.000 1.152 134 Y CA 1.466 59.560 58.100 -0.010 0.000 1.136 134 Y CB -0.489 37.964 38.460 -0.011 0.000 0.975 134 Y HN -0.118 nan 8.280 nan 0.000 0.498 135 L N -0.200 120.992 121.223 -0.051 0.000 2.083 135 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 135 L C 2.813 179.601 176.870 -0.137 0.000 1.083 135 L CA 1.106 55.871 54.840 -0.124 0.000 0.752 135 L CB -1.100 40.982 42.059 0.040 0.000 0.899 135 L HN 0.361 nan 8.230 nan 0.000 0.433 136 A N -0.258 122.529 122.820 -0.054 0.000 1.883 136 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 136 A C 2.257 179.774 177.584 -0.111 0.000 1.186 136 A CA 1.709 53.746 52.037 0.001 0.000 0.624 136 A CB -0.467 18.550 19.000 0.029 0.000 0.822 136 A HN 0.487 nan 8.150 nan 0.000 0.444 137 Q N -1.245 118.457 119.800 -0.163 0.000 2.049 137 Q HA -0.127 4.212 4.340 -0.001 0.000 0.198 137 Q C 2.435 178.271 176.000 -0.273 0.000 0.971 137 Q CA 1.216 56.906 55.803 -0.188 0.000 0.833 137 Q CB -0.236 28.407 28.738 -0.157 0.000 0.896 137 Q HN 0.664 nan 8.270 nan 0.000 0.434 138 R N 0.827 121.080 120.500 -0.413 0.000 2.096 138 R HA -0.197 4.143 4.340 -0.001 0.000 0.240 138 R C 1.188 177.288 176.300 -0.332 0.000 1.139 138 R CA 1.999 57.841 56.100 -0.430 0.000 0.952 138 R CB 0.004 29.896 30.300 -0.680 0.000 0.854 138 R HN 0.243 nan 8.270 nan 0.000 0.436 139 D N -0.155 120.031 120.400 -0.357 0.000 2.162 139 D HA -0.021 4.619 4.640 -0.001 0.000 0.203 139 D C 1.716 177.594 176.300 -0.703 0.000 0.967 139 D CA 1.183 54.930 54.000 -0.422 0.000 0.840 139 D CB -0.244 40.357 40.800 -0.331 0.000 0.972 139 D HN 0.347 nan 8.370 nan 0.000 0.482 140 A N 1.538 123.867 122.820 -0.819 0.000 1.865 140 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 140 A C 2.045 179.485 177.584 -0.239 0.000 1.191 140 A CA 1.387 53.054 52.037 -0.617 0.000 0.623 140 A CB -0.388 18.464 19.000 -0.247 0.000 0.826 140 A HN 0.012 nan 8.150 nan 0.000 0.444 141 E N 0.407 120.497 120.200 -0.184 0.000 2.110 141 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 141 E C 1.731 178.286 176.600 -0.075 0.000 0.988 141 E CA 1.033 57.376 56.400 -0.095 0.000 0.804 141 E CB -0.503 29.141 29.700 -0.092 0.000 0.745 141 E HN 0.575 nan 8.360 nan 0.000 0.458 142 N N 1.100 119.724 118.700 -0.126 0.000 2.244 142 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 142 N C 1.303 176.830 175.510 0.028 0.000 1.016 142 N CA 0.706 53.703 53.050 -0.089 0.000 0.866 142 N CB -0.185 38.192 38.487 -0.184 0.000 0.980 142 N HN 0.130 nan 8.380 nan 0.000 0.430 143 N N 0.466 119.170 118.700 0.008 0.000 2.392 143 N HA 0.015 4.755 4.740 -0.001 0.000 0.177 143 N C 1.554 177.125 175.510 0.101 0.000 1.066 143 N CA 0.021 53.121 53.050 0.084 0.000 0.895 143 N CB 0.094 38.657 38.487 0.128 0.000 0.988 143 N HN 0.293 nan 8.380 nan 0.000 0.457 144 R N 1.324 121.902 120.500 0.130 0.000 2.103 144 R HA -0.091 4.248 4.340 -0.001 0.000 0.242 144 R C -0.972 175.405 176.300 0.127 0.000 1.142 144 R CA 1.481 57.684 56.100 0.172 0.000 0.960 144 R CB -0.765 29.603 30.300 0.113 0.000 0.858 144 R HN 0.150 nan 8.270 nan 0.000 0.439 145 P HA -0.148 nan 4.420 nan 0.000 0.217 145 P C 1.314 178.597 177.300 -0.028 0.000 1.150 145 P CA 0.837 63.963 63.100 0.043 0.000 0.832 145 P CB -0.132 31.589 31.700 0.034 0.000 0.787 146 L N -1.465 119.629 121.223 -0.215 0.000 2.017 146 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 146 L C 2.079 178.869 176.870 -0.132 0.000 1.073 146 L CA 2.049 56.621 54.840 -0.447 0.000 0.745 146 L CB -1.396 40.161 42.059 -0.836 0.000 0.894 146 L HN -0.203 nan 8.230 nan 0.000 0.432 147 F N 0.239 120.256 119.950 0.112 0.000 2.367 147 F HA 0.000 4.527 4.527 -0.001 0.000 0.298 147 F C 2.439 178.347 175.800 0.181 0.000 1.094 147 F CA 0.897 59.008 58.000 0.186 0.000 1.409 147 F CB -0.691 38.434 39.000 0.209 0.000 1.064 147 F HN 0.213 nan 8.300 nan 0.000 0.528 148 E N -0.493 119.884 120.200 0.296 0.000 2.150 148 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 148 E C 2.060 178.775 176.600 0.191 0.000 0.985 148 E CA 1.043 57.568 56.400 0.208 0.000 0.814 148 E CB -0.532 29.259 29.700 0.151 0.000 0.752 148 E HN 0.455 nan 8.360 nan 0.000 0.466 149 F N 1.204 121.179 119.950 0.041 0.000 2.216 149 F HA -0.118 4.408 4.527 -0.001 0.000 0.300 149 F C 1.659 177.483 175.800 0.039 0.000 1.085 149 F CA 0.994 58.997 58.000 0.005 0.000 1.326 149 F CB 0.187 39.149 39.000 -0.065 0.000 1.027 149 F HN -0.101 nan 8.300 nan 0.000 0.497 150 L N 0.198 121.625 121.223 0.340 0.000 2.653 150 L HA 0.280 4.620 4.340 -0.001 0.000 0.231 150 L C 1.399 178.415 176.870 0.243 0.000 1.153 150 L CA 0.438 55.464 54.840 0.310 0.000 0.933 150 L CB -0.618 41.718 42.059 0.461 0.000 1.175 150 L HN 0.376 nan 8.230 nan 0.000 0.473 151 G N 0.754 109.645 108.800 0.153 0.000 2.198 151 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.260 151 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.260 151 G C 0.011 174.990 174.900 0.132 0.000 1.025 151 G CA 0.193 45.359 45.100 0.110 0.000 0.769 151 G HN 0.286 nan 8.290 nan 0.000 0.507 152 L N 0.055 121.391 121.223 0.189 0.000 2.313 152 L HA 0.798 5.138 4.340 -0.001 0.000 0.268 152 L C 0.957 177.918 176.870 0.151 0.000 1.010 152 L CA -0.562 54.366 54.840 0.146 0.000 0.814 152 L CB 2.019 44.160 42.059 0.137 0.000 1.304 152 L HN 0.304 nan 8.230 nan 0.000 0.441 153 T N -1.325 113.293 114.554 0.108 0.000 2.940 153 T HA 0.721 5.071 4.350 -0.001 0.000 0.288 153 T C -0.519 174.258 174.700 0.128 0.000 1.033 153 T CA -0.749 61.421 62.100 0.116 0.000 1.033 153 T CB 2.084 71.005 68.868 0.088 0.000 1.079 153 T HN 0.202 nan 8.240 nan 0.000 0.496 154 V N 1.045 121.054 119.914 0.158 0.000 2.540 154 V HA 0.779 4.899 4.120 -0.001 0.000 0.302 154 V C 0.612 176.803 176.094 0.161 0.000 1.035 154 V CA -0.675 61.746 62.300 0.202 0.000 0.873 154 V CB 1.762 33.758 31.823 0.288 0.000 0.992 154 V HN 1.279 nan 8.190 nan 0.000 0.428 155 G N 3.030 111.929 108.800 0.165 0.000 2.432 155 G HA2 0.705 4.664 3.960 -0.001 0.000 0.331 155 G HA3 0.705 4.664 3.960 -0.001 0.000 0.331 155 G C -1.525 173.443 174.900 0.113 0.000 1.170 155 G CA -0.544 44.617 45.100 0.103 0.000 0.943 155 G HN 0.571 nan 8.290 nan 0.000 0.483 156 I N 0.819 121.415 120.570 0.043 0.000 2.418 156 I HA 0.447 4.617 4.170 -0.001 0.000 0.287 156 I C -0.984 175.092 176.117 -0.068 0.000 1.008 156 I CA -1.454 59.853 61.300 0.012 0.000 1.104 156 I CB 1.759 39.765 38.000 0.009 0.000 1.264 156 I HN 0.344 nan 8.210 nan 0.000 0.438 157 N N 7.373 125.981 118.700 -0.153 0.000 2.422 157 N HA 0.626 5.366 4.740 -0.001 0.000 0.266 157 N C -1.623 173.804 175.510 -0.139 0.000 1.007 157 N CA -0.138 52.790 53.050 -0.204 0.000 0.941 157 N CB 0.733 38.959 38.487 -0.435 0.000 1.115 157 N HN 0.603 nan 8.380 nan 0.000 0.492 158 L N 3.664 124.844 121.223 -0.072 0.000 2.354 158 L HA 0.652 4.992 4.340 -0.001 0.000 0.264 158 L C -2.129 174.732 176.870 -0.014 0.000 1.008 158 L CA -2.315 52.502 54.840 -0.039 0.000 0.819 158 L CB 2.369 44.415 42.059 -0.021 0.000 1.339 158 L HN 0.436 nan 8.230 nan 0.000 0.420 159 P HA 0.070 nan 4.420 nan 0.000 0.265 159 P C 0.746 178.043 177.300 -0.005 0.000 1.193 159 P CA 0.711 63.811 63.100 -0.000 0.000 0.765 159 P CB 0.806 32.506 31.700 0.000 0.000 0.823 160 G N 1.971 110.766 108.800 -0.008 0.000 2.199 160 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.254 160 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.254 160 G C 0.220 175.123 174.900 0.005 0.000 0.982 160 G CA 0.220 45.317 45.100 -0.005 0.000 0.632 160 G HN 0.633 nan 8.290 nan 0.000 0.529 161 M N 2.291 121.898 119.600 0.011 0.000 2.238 161 M HA 0.430 4.909 4.480 -0.001 0.000 0.350 161 M C -1.870 174.447 176.300 0.029 0.000 1.321 161 M CA -1.283 54.028 55.300 0.018 0.000 1.097 161 M CB 0.518 33.127 32.600 0.016 0.000 1.713 161 M HN -0.010 nan 8.290 nan 0.000 0.455 162 P HA 0.052 nan 4.420 nan 0.000 0.267 162 P C -0.329 176.999 177.300 0.046 0.000 1.200 162 P CA 0.058 63.177 63.100 0.031 0.000 0.772 162 P CB 0.572 32.288 31.700 0.026 0.000 0.855 163 A N 5.302 128.151 122.820 0.047 0.000 1.908 163 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 163 A C -0.491 177.134 177.584 0.068 0.000 1.181 163 A CA 1.848 53.922 52.037 0.061 0.000 0.627 163 A CB -2.388 16.641 19.000 0.049 0.000 0.818 163 A HN 0.491 nan 8.150 nan 0.000 0.445 164 P HA -0.063 nan 4.420 nan 0.000 0.218 164 P C 1.578 178.917 177.300 0.066 0.000 1.149 164 P CA 1.745 64.879 63.100 0.056 0.000 0.817 164 P CB -0.109 31.616 31.700 0.042 0.000 0.785 165 A N -0.154 122.701 122.820 0.058 0.000 1.968 165 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 165 A C 2.096 179.724 177.584 0.074 0.000 1.169 165 A CA 1.419 53.490 52.037 0.057 0.000 0.638 165 A CB -0.892 18.133 19.000 0.040 0.000 0.812 165 A HN 0.123 nan 8.150 nan 0.000 0.446 166 K N -0.604 119.855 120.400 0.099 0.000 2.057 166 K HA -0.057 4.263 4.320 -0.001 0.000 0.206 166 K C 2.301 179.056 176.600 0.259 0.000 1.050 166 K CA 1.187 57.570 56.287 0.160 0.000 0.935 166 K CB -0.155 32.472 32.500 0.210 0.000 0.715 166 K HN 0.341 nan 8.250 nan 0.000 0.439 167 R N 1.021 121.643 120.500 0.202 0.000 2.091 167 R HA -0.191 4.149 4.340 -0.001 0.000 0.238 167 R C 2.273 178.688 176.300 0.193 0.000 1.136 167 R CA 1.701 57.922 56.100 0.202 0.000 0.959 167 R CB -0.108 30.263 30.300 0.117 0.000 0.856 167 R HN 0.273 nan 8.270 nan 0.000 0.437 168 E N -0.066 120.215 120.200 0.134 0.000 2.085 168 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 168 E C 1.817 178.482 176.600 0.108 0.000 0.994 168 E CA 1.348 57.812 56.400 0.107 0.000 0.801 168 E CB -0.039 29.708 29.700 0.077 0.000 0.743 168 E HN 0.408 nan 8.360 nan 0.000 0.453 169 A N -0.182 122.691 122.820 0.087 0.000 1.902 169 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 169 A C 1.767 179.364 177.584 0.022 0.000 1.181 169 A CA 1.294 53.339 52.037 0.013 0.000 0.623 169 A CB -0.757 18.190 19.000 -0.089 0.000 0.818 169 A HN 0.417 nan 8.150 nan 0.000 0.443 170 Y N -0.495 119.881 120.300 0.127 0.000 2.516 170 Y HA 0.145 4.695 4.550 -0.001 0.000 0.291 170 Y C 2.582 178.573 175.900 0.151 0.000 1.131 170 Y CA 0.504 58.707 58.100 0.172 0.000 1.281 170 Y CB -0.157 38.414 38.460 0.185 0.000 1.013 170 Y HN 0.332 nan 8.280 nan 0.000 0.554 171 A N 0.049 123.017 122.820 0.245 0.000 2.169 171 A HA 0.360 4.680 4.320 -0.001 0.000 0.212 171 A C 1.615 179.275 177.584 0.127 0.000 1.153 171 A CA 0.479 52.614 52.037 0.162 0.000 0.756 171 A CB -0.786 18.286 19.000 0.120 0.000 0.813 171 A HN 0.220 nan 8.150 nan 0.000 0.471 172 A N -0.089 122.806 122.820 0.126 0.000 2.366 172 A HA 0.265 4.585 4.320 -0.001 0.000 0.250 172 A C 0.833 178.473 177.584 0.094 0.000 1.099 172 A CA 0.308 52.405 52.037 0.099 0.000 0.794 172 A CB 0.167 19.227 19.000 0.099 0.000 1.056 172 A HN 0.343 nan 8.150 nan 0.000 0.499 173 D N -0.655 119.781 120.400 0.059 0.000 2.162 173 D HA 0.069 4.709 4.640 -0.001 0.000 0.203 173 D C 0.119 176.422 176.300 0.005 0.000 0.967 173 D CA 1.492 55.504 54.000 0.020 0.000 0.840 173 D CB 0.087 40.877 40.800 -0.016 0.000 0.972 173 D HN 0.468 nan 8.370 nan 0.000 0.482 174 I N 0.233 120.802 120.570 -0.002 0.000 2.533 174 I HA 0.149 4.319 4.170 -0.001 0.000 0.290 174 I C -0.588 175.551 176.117 0.037 0.000 1.056 174 I CA -0.345 60.937 61.300 -0.032 0.000 1.057 174 I CB 2.588 40.474 38.000 -0.189 0.000 1.240 174 I HN -0.354 nan 8.210 nan 0.000 0.423 175 T N 4.257 118.819 114.554 0.013 0.000 2.885 175 T HA 0.594 4.944 4.350 -0.001 0.000 0.285 175 T C -1.105 173.548 174.700 -0.079 0.000 1.019 175 T CA -0.570 61.558 62.100 0.047 0.000 1.010 175 T CB 1.144 70.044 68.868 0.054 0.000 1.022 175 T HN 0.197 nan 8.240 nan 0.000 0.466 176 Y N 0.412 120.754 120.300 0.070 0.000 2.409 176 Y HA 0.697 5.247 4.550 -0.001 0.000 0.343 176 Y C 0.720 176.580 175.900 -0.067 0.000 0.973 176 Y CA -0.403 57.736 58.100 0.065 0.000 1.064 176 Y CB 2.487 40.969 38.460 0.037 0.000 1.207 176 Y HN 1.022 nan 8.280 nan 0.000 0.452 177 G N 0.237 109.064 108.800 0.046 0.000 2.356 177 G HA2 0.399 4.359 3.960 -0.001 0.000 0.294 177 G HA3 0.399 4.359 3.960 -0.001 0.000 0.294 177 G C -1.053 173.770 174.900 -0.129 0.000 1.423 177 G CA -0.855 44.108 45.100 -0.228 0.000 0.806 177 G HN 0.588 nan 8.290 nan 0.000 0.527 178 T N -1.028 113.448 114.554 -0.131 0.000 2.849 178 T HA 0.319 4.669 4.350 -0.001 0.000 0.284 178 T C 1.744 176.541 174.700 0.162 0.000 1.004 178 T CA 0.358 62.489 62.100 0.051 0.000 1.021 178 T CB 1.236 70.148 68.868 0.073 0.000 1.013 178 T HN 0.789 nan 8.240 nan 0.000 0.527 179 N N 2.594 121.478 118.700 0.307 0.000 2.043 179 N HA -0.229 4.511 4.740 -0.001 0.000 0.193 179 N C 1.342 177.133 175.510 0.469 0.000 1.037 179 N CA 1.978 55.323 53.050 0.491 0.000 0.851 179 N CB -1.258 37.411 38.487 0.304 0.000 1.027 179 N HN 0.808 nan 8.380 nan 0.000 0.422 180 N N 0.561 119.497 118.700 0.393 0.000 2.036 180 N HA -0.211 4.529 4.740 -0.001 0.000 0.195 180 N C 1.535 177.218 175.510 0.287 0.000 1.037 180 N CA 1.495 54.764 53.050 0.365 0.000 0.855 180 N CB -0.173 38.568 38.487 0.423 0.000 1.033 180 N HN 0.302 nan 8.380 nan 0.000 0.423 181 E N 0.370 120.717 120.200 0.244 0.000 2.110 181 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 181 E C 1.489 178.171 176.600 0.137 0.000 0.988 181 E CA 1.217 57.722 56.400 0.175 0.000 0.804 181 E CB -0.162 29.549 29.700 0.018 0.000 0.745 181 E HN 0.389 nan 8.360 nan 0.000 0.458 182 Y N -0.282 120.105 120.300 0.145 0.000 2.097 182 Y HA -0.079 4.470 4.550 -0.001 0.000 0.282 182 Y C 2.388 178.170 175.900 -0.195 0.000 1.152 182 Y CA 1.557 59.738 58.100 0.136 0.000 1.136 182 Y CB -1.074 37.554 38.460 0.280 0.000 0.975 182 Y HN 0.188 nan 8.280 nan 0.000 0.498 183 G N -0.945 107.603 108.800 -0.420 0.000 2.421 183 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.216 183 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.216 183 G C 1.513 176.191 174.900 -0.370 0.000 1.171 183 G CA 0.902 45.474 45.100 -0.880 0.000 0.775 183 G HN 0.280 nan 8.290 nan 0.000 0.543 184 F N 1.726 121.628 119.950 -0.080 0.000 2.095 184 F HA -0.040 4.486 4.527 -0.001 0.000 0.298 184 F C 2.510 178.326 175.800 0.027 0.000 1.104 184 F CA 1.338 59.332 58.000 -0.010 0.000 1.232 184 F CB -0.423 38.585 39.000 0.012 0.000 0.987 184 F HN 0.082 nan 8.300 nan 0.000 0.475 185 D N -1.151 119.393 120.400 0.239 0.000 2.133 185 D HA -0.257 4.383 4.640 -0.001 0.000 0.195 185 D C 2.075 178.452 176.300 0.129 0.000 0.997 185 D CA 1.370 55.480 54.000 0.183 0.000 0.840 185 D CB -0.746 40.207 40.800 0.255 0.000 0.947 185 D HN 0.331 nan 8.370 nan 0.000 0.452 186 Y N 1.505 121.818 120.300 0.022 0.000 2.145 186 Y HA -0.168 4.382 4.550 -0.001 0.000 0.286 186 Y C 2.297 178.208 175.900 0.018 0.000 1.145 186 Y CA 1.306 59.426 58.100 0.034 0.000 1.148 186 Y CB -0.450 38.083 38.460 0.121 0.000 0.981 186 Y HN -0.094 nan 8.280 nan 0.000 0.507 187 L N -0.165 121.075 121.223 0.029 0.000 2.013 187 L HA -0.292 4.048 4.340 -0.001 0.000 0.212 187 L C 2.604 179.433 176.870 -0.069 0.000 1.073 187 L CA 1.902 56.745 54.840 0.005 0.000 0.753 187 L CB -0.677 41.474 42.059 0.153 0.000 0.890 187 L HN 0.161 nan 8.230 nan 0.000 0.432 188 R N -0.214 120.286 120.500 0.001 0.000 2.115 188 R HA -0.136 4.204 4.340 -0.001 0.000 0.230 188 R C 1.777 178.027 176.300 -0.084 0.000 1.111 188 R CA 1.207 57.305 56.100 -0.004 0.000 0.976 188 R CB -0.284 30.044 30.300 0.046 0.000 0.870 188 R HN 0.346 nan 8.270 nan 0.000 0.445 189 D N 0.092 120.399 120.400 -0.154 0.000 2.264 189 D HA -0.068 4.572 4.640 -0.001 0.000 0.208 189 D C 0.927 177.033 176.300 -0.325 0.000 0.966 189 D CA 0.905 54.779 54.000 -0.211 0.000 0.864 189 D CB -0.092 40.570 40.800 -0.230 0.000 0.933 189 D HN 0.122 nan 8.370 nan 0.000 0.499 190 N N -0.327 118.098 118.700 -0.458 0.000 2.268 190 N HA 0.139 4.879 4.740 -0.001 0.000 0.204 190 N C 0.706 175.945 175.510 -0.452 0.000 1.124 190 N CA 0.081 52.741 53.050 -0.650 0.000 0.838 190 N CB 0.536 38.316 38.487 -1.177 0.000 0.994 190 N HN 0.252 nan 8.380 nan 0.000 0.489 191 M N -0.451 119.007 119.600 -0.236 0.000 2.300 191 M HA 0.266 4.746 4.480 -0.001 0.000 0.313 191 M C 0.331 176.632 176.300 0.003 0.000 0.988 191 M CA -0.196 55.051 55.300 -0.089 0.000 1.012 191 M CB 1.093 33.705 32.600 0.021 0.000 1.586 191 M HN -0.091 nan 8.290 nan 0.000 0.562 192 A N -0.042 122.735 122.820 -0.072 0.000 2.386 192 A HA 0.361 4.680 4.320 -0.001 0.000 0.248 192 A C -0.018 177.535 177.584 -0.052 0.000 1.082 192 A CA 0.130 52.181 52.037 0.024 0.000 0.789 192 A CB 0.090 19.068 19.000 -0.036 0.000 1.025 192 A HN 0.406 nan 8.150 nan 0.000 0.490 193 F N 0.489 120.409 119.950 -0.048 0.000 2.678 193 F HA 0.201 4.727 4.527 -0.001 0.000 0.305 193 F C 1.212 177.001 175.800 -0.019 0.000 1.090 193 F CA 0.877 58.856 58.000 -0.035 0.000 1.272 193 F CB 0.419 39.410 39.000 -0.016 0.000 1.060 193 F HN 0.569 nan 8.300 nan 0.000 0.576 194 S N -0.780 114.982 115.700 0.104 0.000 2.546 194 S HA 0.420 4.889 4.470 -0.001 0.000 0.274 194 S C -2.315 172.289 174.600 0.006 0.000 1.121 194 S CA -1.312 56.922 58.200 0.057 0.000 0.887 194 S CB 2.194 65.448 63.200 0.091 0.000 1.094 194 S HN -0.199 nan 8.310 nan 0.000 0.474 195 P HA -0.044 nan 4.420 nan 0.000 0.222 195 P C 0.675 177.968 177.300 -0.012 0.000 1.147 195 P CA 1.190 64.273 63.100 -0.029 0.000 0.790 195 P CB 0.030 31.712 31.700 -0.030 0.000 0.780 196 E N 0.499 120.704 120.200 0.009 0.000 2.204 196 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 196 E C 1.825 178.434 176.600 0.016 0.000 0.989 196 E CA 0.874 57.283 56.400 0.015 0.000 0.824 196 E CB -0.735 28.980 29.700 0.025 0.000 0.756 196 E HN 0.454 nan 8.360 nan 0.000 0.477 197 E N 0.476 120.686 120.200 0.017 0.000 2.338 197 E HA -0.048 4.302 4.350 -0.001 0.000 0.197 197 E C 0.209 176.809 176.600 -0.000 0.000 1.007 197 E CA 0.129 56.540 56.400 0.019 0.000 0.849 197 E CB 0.044 29.765 29.700 0.035 0.000 0.774 197 E HN 0.145 nan 8.360 nan 0.000 0.506 198 R N 0.662 121.148 120.500 -0.022 0.000 2.623 198 R HA -0.005 4.335 4.340 -0.001 0.000 0.271 198 R C 1.343 177.624 176.300 -0.032 0.000 1.043 198 R CA 0.015 56.086 56.100 -0.049 0.000 1.083 198 R CB 0.850 31.108 30.300 -0.070 0.000 0.974 198 R HN 0.067 nan 8.270 nan 0.000 0.436 199 V N -0.432 119.448 119.914 -0.056 0.000 3.263 199 V HA 0.065 4.185 4.120 -0.001 0.000 0.248 199 V C 0.614 176.569 176.094 -0.233 0.000 1.145 199 V CA 0.464 62.742 62.300 -0.036 0.000 1.107 199 V CB -0.052 31.808 31.823 0.060 0.000 0.797 199 V HN 0.563 nan 8.190 nan 0.000 0.467 200 Q N 0.845 120.408 119.800 -0.397 0.000 2.221 200 Q HA 0.523 4.862 4.340 -0.001 0.000 0.242 200 Q C -0.436 175.452 176.000 -0.186 0.000 0.940 200 Q CA -0.617 54.809 55.803 -0.627 0.000 0.896 200 Q CB 2.029 30.517 28.738 -0.416 0.000 1.226 200 Q HN 0.465 nan 8.270 nan 0.000 0.463 201 R N 0.494 120.970 120.500 -0.040 0.000 2.524 201 R HA 0.260 4.600 4.340 -0.001 0.000 0.236 201 R C -0.158 176.143 176.300 0.002 0.000 1.240 201 R CA -0.833 55.276 56.100 0.016 0.000 1.111 201 R CB 0.455 30.797 30.300 0.070 0.000 1.436 201 R HN 0.409 nan 8.270 nan 0.000 0.573 202 K N 1.277 121.672 120.400 -0.009 0.000 2.527 202 K HA -0.027 4.293 4.320 -0.001 0.000 0.278 202 K C -0.579 175.975 176.600 -0.078 0.000 0.981 202 K CA 0.176 56.443 56.287 -0.034 0.000 1.009 202 K CB 0.254 32.737 32.500 -0.027 0.000 0.895 202 K HN 0.341 nan 8.250 nan 0.000 0.493 203 L N 6.046 127.151 121.223 -0.197 0.000 2.407 203 L HA 0.059 4.399 4.340 -0.001 0.000 0.282 203 L C 1.392 178.113 176.870 -0.249 0.000 1.110 203 L CA -0.191 54.354 54.840 -0.492 0.000 0.863 203 L CB 0.190 41.617 42.059 -1.053 0.000 1.207 203 L HN 0.818 nan 8.230 nan 0.000 0.454 204 H N 4.176 123.136 119.070 -0.183 0.000 2.348 204 H HA 0.053 4.609 4.556 -0.001 0.000 0.313 204 H C -0.751 174.703 175.328 0.210 0.000 1.051 204 H CA 0.215 56.261 56.048 -0.003 0.000 1.420 204 H CB 0.763 30.511 29.762 -0.024 0.000 1.484 204 H HN 0.455 nan 8.280 nan 0.000 0.609 205 Y N 0.764 120.870 120.300 -0.322 0.000 2.386 205 Y HA 0.539 5.088 4.550 -0.001 0.000 0.334 205 Y C -1.517 174.228 175.900 -0.259 0.000 1.002 205 Y CA -0.837 57.049 58.100 -0.356 0.000 1.068 205 Y CB 1.502 39.625 38.460 -0.562 0.000 1.203 205 Y HN 0.327 nan 8.280 nan 0.000 0.443 206 A N 6.590 128.932 122.820 -0.796 0.000 2.285 206 A HA 0.597 4.917 4.320 -0.001 0.000 0.310 206 A C -2.060 174.940 177.584 -0.973 0.000 1.266 206 A CA -0.608 50.851 52.037 -0.963 0.000 0.832 206 A CB 0.419 18.623 19.000 -1.328 0.000 1.163 206 A HN 0.649 nan 8.150 nan 0.000 0.499 207 L N 4.577 125.263 121.223 -0.894 0.000 2.264 207 L HA 0.550 4.890 4.340 -0.001 0.000 0.287 207 L C -0.799 175.837 176.870 -0.389 0.000 1.039 207 L CA -0.165 54.286 54.840 -0.648 0.000 0.829 207 L CB 1.066 42.796 42.059 -0.548 0.000 1.211 207 L HN 0.356 nan 8.230 nan 0.000 0.427 208 V N 5.811 125.497 119.914 -0.380 0.000 2.370 208 V HA 0.284 4.404 4.120 -0.001 0.000 0.279 208 V C 0.647 176.609 176.094 -0.219 0.000 1.029 208 V CA -0.485 61.618 62.300 -0.329 0.000 0.870 208 V CB 1.241 32.764 31.823 -0.499 0.000 0.984 208 V HN 0.648 nan 8.190 nan 0.000 0.451 209 D N 2.680 123.000 120.400 -0.132 0.000 2.144 209 D HA -0.052 4.587 4.640 -0.001 0.000 0.200 209 D C 0.920 177.173 176.300 -0.079 0.000 0.978 209 D CA 1.272 55.227 54.000 -0.075 0.000 0.833 209 D CB 0.484 41.275 40.800 -0.016 0.000 0.961 209 D HN 0.731 nan 8.370 nan 0.000 0.470 210 E N 0.186 120.330 120.200 -0.093 0.000 2.528 210 E HA 0.162 4.512 4.350 -0.001 0.000 0.277 210 E C 0.575 177.125 176.600 -0.084 0.000 0.980 210 E CA -0.155 56.203 56.400 -0.070 0.000 0.796 210 E CB 1.366 31.042 29.700 -0.040 0.000 1.427 210 E HN -0.110 nan 8.360 nan 0.000 0.394 211 V N 0.947 120.812 119.914 -0.082 0.000 3.129 211 V HA -0.006 4.114 4.120 -0.001 0.000 0.259 211 V C 1.238 177.395 176.094 0.104 0.000 1.116 211 V CA 1.034 63.303 62.300 -0.051 0.000 1.127 211 V CB -0.129 31.609 31.823 -0.142 0.000 0.742 211 V HN 0.387 nan 8.190 nan 0.000 0.474 212 D N 2.219 122.678 120.400 0.098 0.000 2.084 212 D HA -0.136 4.503 4.640 -0.001 0.000 0.194 212 D C 2.557 178.857 176.300 -0.000 0.000 0.990 212 D CA 2.279 56.322 54.000 0.071 0.000 0.826 212 D CB -0.282 40.544 40.800 0.043 0.000 0.971 212 D HN 0.701 nan 8.370 nan 0.000 0.453 213 S N -0.183 115.506 115.700 -0.020 0.000 2.377 213 S HA -0.007 4.463 4.470 -0.001 0.000 0.223 213 S C 2.255 176.812 174.600 -0.073 0.000 1.030 213 S CA 0.307 58.484 58.200 -0.038 0.000 0.970 213 S CB -0.518 62.660 63.200 -0.036 0.000 0.830 213 S HN 0.197 nan 8.310 nan 0.000 0.473 214 I N 1.084 121.591 120.570 -0.106 0.000 2.233 214 I HA -0.052 4.118 4.170 -0.001 0.000 0.243 214 I C 2.328 178.349 176.117 -0.160 0.000 1.093 214 I CA 1.175 62.361 61.300 -0.191 0.000 1.380 214 I CB -0.180 37.684 38.000 -0.227 0.000 1.067 214 I HN 0.274 nan 8.210 nan 0.000 0.413 215 L N -0.599 120.561 121.223 -0.106 0.000 2.286 215 L HA -0.007 4.333 4.340 -0.001 0.000 0.203 215 L C 2.324 179.301 176.870 0.178 0.000 1.068 215 L CA 0.365 55.208 54.840 0.006 0.000 0.811 215 L CB -0.155 41.787 42.059 -0.194 0.000 0.989 215 L HN 0.120 nan 8.230 nan 0.000 0.467 216 I N 0.303 120.896 120.570 0.039 0.000 2.260 216 I HA -0.161 4.009 4.170 -0.001 0.000 0.237 216 I C 2.110 178.225 176.117 -0.003 0.000 1.075 216 I CA 1.382 62.644 61.300 -0.063 0.000 1.376 216 I CB -1.116 36.715 38.000 -0.282 0.000 1.107 216 I HN 0.202 nan 8.210 nan 0.000 0.420 217 D N 0.833 121.226 120.400 -0.012 0.000 2.178 217 D HA -0.143 4.497 4.640 -0.001 0.000 0.202 217 D C 1.549 177.880 176.300 0.051 0.000 0.974 217 D CA 0.917 54.923 54.000 0.010 0.000 0.841 217 D CB -0.041 40.758 40.800 -0.001 0.000 0.953 217 D HN 0.309 nan 8.370 nan 0.000 0.478 218 E N 0.076 120.309 120.200 0.056 0.000 2.444 218 E HA 0.218 4.568 4.350 -0.001 0.000 0.191 218 E C 1.624 178.394 176.600 0.284 0.000 1.041 218 E CA -0.130 56.341 56.400 0.118 0.000 0.883 218 E CB 0.357 30.000 29.700 -0.094 0.000 1.024 218 E HN 0.141 nan 8.360 nan 0.000 0.470 219 A N 1.120 124.083 122.820 0.238 0.000 1.902 219 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 219 A C 1.978 179.720 177.584 0.264 0.000 1.181 219 A CA 1.158 53.372 52.037 0.295 0.000 0.623 219 A CB -0.126 18.991 19.000 0.195 0.000 0.818 219 A HN 0.086 nan 8.150 nan 0.000 0.443 220 R N -0.535 120.079 120.500 0.189 0.000 2.359 220 R HA 0.105 4.445 4.340 -0.001 0.000 0.231 220 R C -0.396 175.989 176.300 0.143 0.000 0.913 220 R CA 0.035 56.217 56.100 0.137 0.000 1.075 220 R CB 0.056 30.407 30.300 0.085 0.000 1.087 220 R HN 0.284 nan 8.270 nan 0.000 0.515 221 T N 4.013 118.703 114.554 0.227 0.000 2.799 221 T HA 0.146 4.496 4.350 -0.001 0.000 0.296 221 T C -2.394 172.348 174.700 0.070 0.000 0.947 221 T CA -1.093 61.129 62.100 0.204 0.000 1.141 221 T CB 1.159 70.249 68.868 0.369 0.000 0.891 221 T HN -0.029 nan 8.240 nan 0.000 0.533 222 P HA 0.339 nan 4.420 nan 0.000 0.285 222 P C -0.628 176.588 177.300 -0.140 0.000 1.259 222 P CA -0.528 62.530 63.100 -0.070 0.000 0.794 222 P CB 0.579 32.274 31.700 -0.008 0.000 0.940 223 L N 4.190 125.228 121.223 -0.308 0.000 2.289 223 L HA 0.532 4.872 4.340 -0.001 0.000 0.285 223 L C 0.248 177.059 176.870 -0.097 0.000 1.049 223 L CA -0.393 54.220 54.840 -0.379 0.000 0.804 223 L CB 0.604 42.144 42.059 -0.866 0.000 1.195 223 L HN 0.256 nan 8.230 nan 0.000 0.428 224 I N 3.661 124.315 120.570 0.140 0.000 2.619 224 I HA 0.414 4.584 4.170 -0.001 0.000 0.292 224 I C -0.742 175.550 176.117 0.291 0.000 1.100 224 I CA -0.308 61.101 61.300 0.181 0.000 1.043 224 I CB 2.758 40.834 38.000 0.128 0.000 1.239 224 I HN 0.438 nan 8.210 nan 0.000 0.420 225 I N 4.200 124.898 120.570 0.214 0.000 2.441 225 I HA 0.418 4.587 4.170 -0.001 0.000 0.295 225 I C -0.024 176.158 176.117 0.109 0.000 0.994 225 I CA -0.093 61.304 61.300 0.162 0.000 1.144 225 I CB 2.008 40.105 38.000 0.161 0.000 1.314 225 I HN 0.421 nan 8.210 nan 0.000 0.445 226 S N 2.608 118.352 115.700 0.073 0.000 2.600 226 S HA 0.824 5.294 4.470 -0.001 0.000 0.300 226 S C -0.326 174.300 174.600 0.042 0.000 1.087 226 S CA -0.611 57.621 58.200 0.054 0.000 0.965 226 S CB 1.817 65.043 63.200 0.043 0.000 1.089 226 S HN 0.774 nan 8.310 nan 0.000 0.496 227 G N 3.161 111.983 108.800 0.037 0.000 3.164 227 G HA2 0.442 4.402 3.960 -0.001 0.000 0.312 227 G HA3 0.442 4.402 3.960 -0.001 0.000 0.312 227 G C -2.339 172.577 174.900 0.027 0.000 1.530 227 G CA -1.278 43.844 45.100 0.036 0.000 1.079 227 G HN 0.439 nan 8.290 nan 0.000 0.527 228 P HA -0.065 nan 4.420 nan 0.000 0.208 228 P C 1.236 178.546 177.300 0.017 0.000 1.195 228 P CA 1.147 64.257 63.100 0.016 0.000 0.927 228 P CB 0.354 32.060 31.700 0.011 0.000 0.778 229 A N -0.531 122.298 122.820 0.016 0.000 2.351 229 A HA 0.255 4.574 4.320 -0.001 0.000 0.257 229 A C 0.839 178.437 177.584 0.023 0.000 1.087 229 A CA 0.119 52.165 52.037 0.016 0.000 0.798 229 A CB 0.218 19.224 19.000 0.010 0.000 1.033 229 A HN 0.232 nan 8.150 nan 0.000 0.488 230 E N -0.192 120.022 120.200 0.023 0.000 3.550 230 E HA 0.201 4.551 4.350 -0.001 0.000 0.239 230 E C -0.911 175.705 176.600 0.027 0.000 1.244 230 E CA -0.364 56.052 56.400 0.027 0.000 1.475 230 E CB 0.634 30.348 29.700 0.024 0.000 2.582 230 E HN 0.785 nan 8.360 nan 0.000 0.716 231 D N -0.465 119.949 120.400 0.023 0.000 3.010 231 D HA 0.102 4.742 4.640 -0.001 0.000 0.353 231 D C -0.840 175.472 176.300 0.019 0.000 1.415 231 D CA -0.406 53.607 54.000 0.022 0.000 0.864 231 D CB 1.058 41.872 40.800 0.024 0.000 1.445 231 D HN 0.111 nan 8.370 nan 0.000 0.516 367 N N 0.710 119.417 118.700 0.011 0.000 2.598 367 N HA 0.045 4.785 4.740 -0.001 0.000 0.295 367 N C -0.988 174.531 175.510 0.015 0.000 1.729 367 N CA 0.162 53.220 53.050 0.013 0.000 0.877 367 N CB 0.771 39.266 38.487 0.012 0.000 1.405 367 N HN 0.599 nan 8.380 nan 0.000 0.491 368 E N 0.812 121.021 120.200 0.015 0.000 2.770 368 E HA -0.238 4.112 4.350 -0.001 0.000 0.290 368 E C 0.236 176.848 176.600 0.019 0.000 1.195 368 E CA 0.751 57.161 56.400 0.016 0.000 1.123 368 E CB -0.130 29.581 29.700 0.018 0.000 1.152 368 E HN 0.646 nan 8.360 nan 0.000 0.473 369 N N -0.596 118.116 118.700 0.020 0.000 2.405 369 N HA 0.331 5.070 4.740 -0.001 0.000 0.299 369 N C -0.765 174.760 175.510 0.025 0.000 1.075 369 N CA -0.874 52.189 53.050 0.022 0.000 0.884 369 N CB 1.361 39.859 38.487 0.020 0.000 1.194 369 N HN 0.653 nan 8.380 nan 0.000 0.491 370 Q N 0.228 120.043 119.800 0.025 0.000 2.587 370 Q HA 0.438 4.778 4.340 -0.001 0.000 0.293 370 Q C -1.228 174.786 176.000 0.023 0.000 1.083 370 Q CA -1.070 54.745 55.803 0.020 0.000 0.792 370 Q CB 1.109 29.854 28.738 0.012 0.000 1.484 370 Q HN 0.470 nan 8.270 nan 0.000 0.446 371 T N 1.886 116.444 114.554 0.008 0.000 2.814 371 T HA 0.234 4.584 4.350 -0.001 0.000 0.297 371 T C 0.786 175.502 174.700 0.028 0.000 0.956 371 T CA -0.198 61.913 62.100 0.018 0.000 1.123 371 T CB 0.222 69.082 68.868 -0.014 0.000 0.902 371 T HN 0.474 nan 8.240 nan 0.000 0.528 372 L N 1.532 122.801 121.223 0.077 0.000 2.408 372 L HA 0.489 4.829 4.340 -0.001 0.000 0.215 372 L C 1.077 178.071 176.870 0.207 0.000 1.081 372 L CA -0.033 54.881 54.840 0.123 0.000 0.840 372 L CB -0.005 42.127 42.059 0.121 0.000 1.002 372 L HN 0.648 nan 8.230 nan 0.000 0.468 373 A N -0.671 122.272 122.820 0.206 0.000 2.555 373 A HA 0.652 4.972 4.320 -0.001 0.000 0.297 373 A C -1.008 176.710 177.584 0.223 0.000 1.060 373 A CA -0.254 51.965 52.037 0.304 0.000 0.710 373 A CB 1.885 21.054 19.000 0.282 0.000 1.282 373 A HN -0.108 nan 8.150 nan 0.000 0.399 374 S N 0.934 116.773 115.700 0.233 0.000 2.536 374 S HA 0.856 5.325 4.470 -0.001 0.000 0.271 374 S C -1.462 173.211 174.600 0.121 0.000 1.134 374 S CA -0.377 57.900 58.200 0.127 0.000 0.897 374 S CB 1.136 64.380 63.200 0.072 0.000 1.094 374 S HN 1.389 nan 8.310 nan 0.000 0.473 375 I N 2.990 123.577 120.570 0.027 0.000 2.775 375 I HA 0.445 4.615 4.170 -0.001 0.000 0.295 375 I C -0.029 176.032 176.117 -0.093 0.000 1.287 375 I CA -0.371 60.939 61.300 0.017 0.000 1.029 375 I CB 2.306 40.359 38.000 0.088 0.000 1.282 375 I HN 0.792 nan 8.210 nan 0.000 0.426 376 T N 2.315 116.848 114.554 -0.035 0.000 2.828 376 T HA 0.262 4.612 4.350 -0.001 0.000 0.290 376 T C 0.908 175.589 174.700 -0.031 0.000 1.019 376 T CA -0.039 62.037 62.100 -0.039 0.000 1.031 376 T CB 0.620 69.523 68.868 0.058 0.000 1.001 376 T HN 0.410 nan 8.240 nan 0.000 0.531 377 F N 0.308 120.344 119.950 0.144 0.000 2.216 377 F HA -0.019 4.508 4.527 -0.001 0.000 0.300 377 F C 2.878 178.912 175.800 0.389 0.000 1.085 377 F CA 1.492 59.644 58.000 0.252 0.000 1.326 377 F CB -0.520 38.677 39.000 0.328 0.000 1.027 377 F HN 0.735 nan 8.300 nan 0.000 0.497 378 Q N 0.391 120.478 119.800 0.478 0.000 2.020 378 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 378 Q C 1.848 178.038 176.000 0.317 0.000 0.982 378 Q CA 1.704 57.755 55.803 0.415 0.000 0.838 378 Q CB -0.162 28.646 28.738 0.118 0.000 0.899 378 Q HN 0.310 nan 8.270 nan 0.000 0.423 379 N N -0.251 118.556 118.700 0.178 0.000 2.396 379 N HA -0.133 4.607 4.740 -0.001 0.000 0.180 379 N C 1.503 177.047 175.510 0.057 0.000 1.028 379 N CA 0.708 53.818 53.050 0.099 0.000 0.893 379 N CB -0.338 38.184 38.487 0.059 0.000 0.967 379 N HN 0.332 nan 8.380 nan 0.000 0.440 380 Y N 1.051 121.311 120.300 -0.067 0.000 2.070 380 Y HA -0.185 4.365 4.550 -0.001 0.000 0.280 380 Y C 1.781 177.598 175.900 -0.138 0.000 1.148 380 Y CA 1.540 59.492 58.100 -0.248 0.000 1.125 380 Y CB -0.666 37.562 38.460 -0.386 0.000 0.975 380 Y HN -0.131 nan 8.280 nan 0.000 0.492 381 F N 0.208 120.209 119.950 0.086 0.000 2.325 381 F HA -0.024 4.502 4.527 -0.001 0.000 0.299 381 F C 2.313 178.178 175.800 0.109 0.000 1.090 381 F CA 1.129 59.159 58.000 0.050 0.000 1.392 381 F CB -0.516 38.538 39.000 0.090 0.000 1.053 381 F HN -0.041 nan 8.300 nan 0.000 0.521 382 R N 0.068 120.733 120.500 0.275 0.000 2.285 382 R HA -0.072 4.268 4.340 -0.001 0.000 0.213 382 R C 1.784 178.109 176.300 0.041 0.000 1.068 382 R CA 0.670 56.875 56.100 0.176 0.000 1.004 382 R CB -0.476 29.905 30.300 0.134 0.000 0.873 382 R HN 0.361 nan 8.270 nan 0.000 0.467 383 L N -0.497 120.669 121.223 -0.095 0.000 2.478 383 L HA -0.010 4.329 4.340 -0.001 0.000 0.223 383 L C 0.289 177.049 176.870 -0.184 0.000 1.140 383 L CA 0.187 54.907 54.840 -0.201 0.000 0.842 383 L CB -0.125 41.676 42.059 -0.431 0.000 0.953 383 L HN 0.037 nan 8.230 nan 0.000 0.452 384 Y N 0.463 120.650 120.300 -0.189 0.000 2.411 384 Y HA -0.093 4.457 4.550 -0.001 0.000 0.333 384 Y C 1.656 177.513 175.900 -0.071 0.000 1.186 384 Y CA 0.173 58.186 58.100 -0.145 0.000 1.381 384 Y CB 0.545 38.918 38.460 -0.144 0.000 1.273 384 Y HN 0.006 nan 8.280 nan 0.000 0.546 385 E N 2.155 122.400 120.200 0.076 0.000 2.085 385 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 385 E C -0.358 176.281 176.600 0.065 0.000 0.994 385 E CA 1.197 57.637 56.400 0.067 0.000 0.801 385 E CB 0.210 29.962 29.700 0.087 0.000 0.743 385 E HN 0.522 nan 8.360 nan 0.000 0.453 386 K N 0.489 120.932 120.400 0.071 0.000 2.426 386 K HA 0.396 4.716 4.320 -0.001 0.000 0.254 386 K C -1.424 175.236 176.600 0.099 0.000 0.936 386 K CA -0.719 55.620 56.287 0.086 0.000 0.801 386 K CB 2.198 34.717 32.500 0.031 0.000 1.139 386 K HN -0.019 nan 8.250 nan 0.000 0.424 387 L N 1.995 123.236 121.223 0.031 0.000 2.408 387 L HA 0.818 5.158 4.340 -0.001 0.000 0.268 387 L C -1.707 175.091 176.870 -0.119 0.000 0.986 387 L CA -0.149 54.611 54.840 -0.132 0.000 0.820 387 L CB 2.038 44.026 42.059 -0.119 0.000 1.303 387 L HN 0.826 nan 8.230 nan 0.000 0.411 388 A N 2.457 125.133 122.820 -0.241 0.000 2.610 388 A HA 0.992 5.311 4.320 -0.001 0.000 0.291 388 A C -0.740 176.662 177.584 -0.303 0.000 1.086 388 A CA -0.001 51.920 52.037 -0.192 0.000 0.677 388 A CB 1.403 20.391 19.000 -0.021 0.000 1.278 388 A HN 1.350 nan 8.150 nan 0.000 0.414 389 G N -0.639 107.999 108.800 -0.271 0.000 2.495 389 G HA2 0.600 4.560 3.960 -0.001 0.000 0.294 389 G HA3 0.600 4.560 3.960 -0.001 0.000 0.294 389 G C -1.444 173.316 174.900 -0.234 0.000 1.397 389 G CA -0.640 44.292 45.100 -0.281 0.000 0.790 389 G HN 0.727 nan 8.290 nan 0.000 0.486 390 M N 0.283 119.765 119.600 -0.195 0.000 2.535 390 M HA 0.734 5.213 4.480 -0.001 0.000 0.314 390 M C -0.216 176.004 176.300 -0.132 0.000 1.153 390 M CA -0.657 54.558 55.300 -0.142 0.000 0.924 390 M CB 2.674 35.224 32.600 -0.084 0.000 1.710 390 M HN 0.705 nan 8.290 nan 0.000 0.451 391 T N 0.149 114.642 114.554 -0.101 0.000 2.711 391 T HA 0.655 5.005 4.350 -0.001 0.000 0.302 391 T C -0.927 173.756 174.700 -0.027 0.000 1.373 391 T CA -0.435 61.633 62.100 -0.053 0.000 1.000 391 T CB 1.643 70.491 68.868 -0.034 0.000 1.483 391 T HN 0.855 nan 8.240 nan 0.000 0.499 392 G N 0.386 109.184 108.800 -0.004 0.000 2.476 392 G HA2 0.455 4.414 3.960 -0.001 0.000 0.286 392 G HA3 0.455 4.414 3.960 -0.001 0.000 0.286 392 G C 1.057 175.966 174.900 0.015 0.000 1.177 392 G CA 0.072 45.176 45.100 0.006 0.000 0.870 392 G HN 0.797 nan 8.290 nan 0.000 0.528 393 T N 0.987 115.552 114.554 0.018 0.000 2.946 393 T HA -0.114 4.236 4.350 -0.001 0.000 0.271 393 T C 2.604 177.322 174.700 0.030 0.000 1.104 393 T CA 1.254 63.368 62.100 0.024 0.000 1.114 393 T CB -0.172 68.711 68.868 0.025 0.000 0.867 393 T HN 0.684 nan 8.240 nan 0.000 0.513 394 A N 1.537 124.374 122.820 0.030 0.000 2.042 394 A HA -0.165 4.154 4.320 -0.001 0.000 0.222 394 A C 1.393 178.999 177.584 0.036 0.000 1.167 394 A CA 2.087 54.141 52.037 0.029 0.000 0.649 394 A CB -1.007 18.007 19.000 0.024 0.000 0.809 394 A HN 0.631 nan 8.150 nan 0.000 0.457 395 D N -2.521 117.911 120.400 0.052 0.000 3.910 395 D HA -0.435 4.205 4.640 -0.001 0.000 0.153 395 D C 0.966 177.314 176.300 0.078 0.000 0.802 395 D CA 4.888 58.937 54.000 0.082 0.000 1.009 395 D CB -1.267 39.580 40.800 0.078 0.000 0.453 395 D HN 1.555 nan 8.370 nan 0.000 0.422 396 T N -4.337 110.269 114.554 0.086 0.000 8.089 396 T HA -0.362 3.988 4.350 -0.001 0.000 0.315 396 T C 0.580 175.380 174.700 0.167 0.000 2.025 396 T CA 2.324 64.489 62.100 0.108 0.000 3.021 396 T CB -2.219 66.692 68.868 0.071 0.000 2.356 396 T HN 0.738 nan 8.240 nan 0.000 1.220 397 E N 0.170 120.416 120.200 0.076 0.000 2.789 397 E HA 0.688 5.037 4.350 -0.001 0.000 0.208 397 E C 2.002 178.520 176.600 -0.137 0.000 0.988 397 E CA 0.186 56.465 56.400 -0.201 0.000 1.092 397 E CB 0.417 29.858 29.700 -0.432 0.000 1.066 397 E HN 0.626 nan 8.360 nan 0.000 0.465 398 A N 1.296 124.236 122.820 0.200 0.000 1.917 398 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 398 A C 1.943 179.634 177.584 0.178 0.000 1.182 398 A CA 1.606 53.809 52.037 0.276 0.000 0.633 398 A CB -0.832 18.300 19.000 0.220 0.000 0.819 398 A HN 0.501 nan 8.150 nan 0.000 0.448 399 F N 0.202 120.133 119.950 -0.031 0.000 2.407 399 F HA 0.070 4.597 4.527 -0.001 0.000 0.299 399 F C 1.643 177.329 175.800 -0.190 0.000 1.097 399 F CA 1.165 59.127 58.000 -0.063 0.000 1.422 399 F CB -0.695 38.270 39.000 -0.059 0.000 1.067 399 F HN 0.303 nan 8.300 nan 0.000 0.539 400 E N 0.046 119.550 120.200 -1.160 0.000 2.112 400 E HA -0.076 4.274 4.350 -0.001 0.000 0.190 400 E C 1.862 178.176 176.600 -0.477 0.000 0.979 400 E CA 1.011 56.661 56.400 -1.249 0.000 0.814 400 E CB -0.377 28.297 29.700 -1.709 0.000 0.762 400 E HN 0.394 nan 8.360 nan 0.000 0.460 401 F N 0.975 120.796 119.950 -0.214 0.000 2.134 401 F HA -0.171 4.356 4.527 -0.001 0.000 0.299 401 F C 2.715 178.559 175.800 0.074 0.000 1.097 401 F CA 0.989 58.993 58.000 0.006 0.000 1.264 401 F CB -0.580 38.402 39.000 -0.029 0.000 1.001 401 F HN -0.057 nan 8.300 nan 0.000 0.479 402 S N -1.065 114.763 115.700 0.213 0.000 2.356 402 S HA -0.206 4.263 4.470 -0.001 0.000 0.223 402 S C 2.471 177.152 174.600 0.135 0.000 1.032 402 S CA 1.565 59.863 58.200 0.163 0.000 1.005 402 S CB -0.625 62.660 63.200 0.142 0.000 0.867 402 S HN 0.346 nan 8.310 nan 0.000 0.449 403 S N 0.549 116.321 115.700 0.120 0.000 2.355 403 S HA 0.015 4.485 4.470 -0.001 0.000 0.222 403 S C 1.764 176.416 174.600 0.086 0.000 1.031 403 S CA 1.428 59.717 58.200 0.149 0.000 0.993 403 S CB -0.448 62.938 63.200 0.311 0.000 0.859 403 S HN 0.566 nan 8.310 nan 0.000 0.453 404 I N -1.040 119.548 120.570 0.030 0.000 2.439 404 I HA -0.045 4.124 4.170 -0.001 0.000 0.251 404 I C 1.183 177.047 176.117 -0.422 0.000 1.139 404 I CA 1.123 62.285 61.300 -0.229 0.000 1.438 404 I CB -0.105 37.666 38.000 -0.381 0.000 1.085 404 I HN 0.341 nan 8.210 nan 0.000 0.427 405 Y N -0.591 119.774 120.300 0.108 0.000 2.540 405 Y HA 0.229 4.779 4.550 -0.001 0.000 0.257 405 Y C 0.470 176.417 175.900 0.079 0.000 1.090 405 Y CA -0.845 57.316 58.100 0.101 0.000 1.242 405 Y CB 0.546 39.077 38.460 0.119 0.000 1.325 405 Y HN -0.154 nan 8.280 nan 0.000 0.544 406 K N 0.454 120.972 120.400 0.196 0.000 3.069 406 K HA -0.195 4.125 4.320 -0.001 0.000 0.267 406 K C -0.724 175.955 176.600 0.131 0.000 1.082 406 K CA 0.528 56.899 56.287 0.140 0.000 0.782 406 K CB -2.137 30.422 32.500 0.100 0.000 1.230 406 K HN 0.403 nan 8.250 nan 0.000 0.488 407 L N 1.666 122.989 121.223 0.167 0.000 2.265 407 L HA 0.167 4.506 4.340 -0.001 0.000 0.288 407 L C 0.682 177.591 176.870 0.066 0.000 1.058 407 L CA -0.613 54.276 54.840 0.083 0.000 0.809 407 L CB 0.740 42.823 42.059 0.041 0.000 1.179 407 L HN -0.033 nan 8.230 nan 0.000 0.429 408 D N 1.105 121.520 120.400 0.024 0.000 2.368 408 D HA 0.196 4.836 4.640 -0.001 0.000 0.240 408 D C 0.331 176.605 176.300 -0.042 0.000 1.169 408 D CA 0.151 54.159 54.000 0.013 0.000 0.906 408 D CB 1.200 42.006 40.800 0.011 0.000 1.187 408 D HN 0.435 nan 8.370 nan 0.000 0.435 409 T N -1.434 113.105 114.554 -0.025 0.000 2.841 409 T HA 0.577 4.927 4.350 -0.001 0.000 0.283 409 T C -0.921 173.760 174.700 -0.031 0.000 1.000 409 T CA -0.715 61.344 62.100 -0.069 0.000 0.977 409 T CB 0.841 69.660 68.868 -0.081 0.000 0.979 409 T HN 0.023 nan 8.240 nan 0.000 0.446 410 V N 4.781 124.669 119.914 -0.043 0.000 2.540 410 V HA 0.468 4.588 4.120 -0.001 0.000 0.302 410 V C -0.038 176.048 176.094 -0.014 0.000 1.035 410 V CA -0.889 61.401 62.300 -0.016 0.000 0.873 410 V CB 2.005 33.823 31.823 -0.009 0.000 0.992 410 V HN 0.903 nan 8.190 nan 0.000 0.428 411 V N 5.726 125.641 119.914 0.002 0.000 2.455 411 V HA 0.263 4.383 4.120 -0.001 0.000 0.273 411 V C 0.139 176.241 176.094 0.014 0.000 1.045 411 V CA -0.311 61.993 62.300 0.008 0.000 0.976 411 V CB 1.287 33.120 31.823 0.016 0.000 0.993 411 V HN 0.600 nan 8.190 nan 0.000 0.475 412 V N 8.157 128.080 119.914 0.016 0.000 2.439 412 V HA 0.335 4.454 4.120 -0.001 0.000 0.282 412 V C -1.847 174.265 176.094 0.030 0.000 1.039 412 V CA -1.765 60.552 62.300 0.028 0.000 0.913 412 V CB 1.481 33.325 31.823 0.035 0.000 0.983 412 V HN 0.758 nan 8.190 nan 0.000 0.460 413 P HA 0.106 nan 4.420 nan 0.000 0.266 413 P C 0.051 177.370 177.300 0.032 0.000 1.195 413 P CA 0.051 63.168 63.100 0.029 0.000 0.768 413 P CB 0.131 31.848 31.700 0.028 0.000 0.838 414 T N -1.130 113.437 114.554 0.021 0.000 2.904 414 T HA 0.097 4.447 4.350 -0.001 0.000 0.290 414 T C 1.249 175.945 174.700 -0.007 0.000 1.018 414 T CA -0.486 61.624 62.100 0.016 0.000 1.075 414 T CB 0.603 69.477 68.868 0.009 0.000 0.986 414 T HN 0.265 nan 8.240 nan 0.000 0.523 415 N N 1.289 119.968 118.700 -0.034 0.000 2.043 415 N HA -0.134 4.606 4.740 -0.001 0.000 0.193 415 N C 0.361 175.793 175.510 -0.129 0.000 1.037 415 N CA 1.294 54.265 53.050 -0.131 0.000 0.851 415 N CB -0.109 38.170 38.487 -0.346 0.000 1.027 415 N HN 0.475 nan 8.380 nan 0.000 0.422 416 R N 0.256 120.693 120.500 -0.105 0.000 2.598 416 R HA 0.420 4.759 4.340 -0.001 0.000 0.279 416 R C -2.384 173.897 176.300 -0.032 0.000 0.984 416 R CA -2.343 53.715 56.100 -0.070 0.000 0.999 416 R CB -0.242 30.021 30.300 -0.061 0.000 1.114 416 R HN 0.125 nan 8.270 nan 0.000 0.493 417 P HA 0.023 nan 4.420 nan 0.000 0.262 417 P C -0.132 177.167 177.300 -0.001 0.000 1.182 417 P CA 0.336 63.431 63.100 -0.007 0.000 0.761 417 P CB 0.429 32.126 31.700 -0.006 0.000 0.795 418 M N 4.588 124.191 119.600 0.005 0.000 2.162 418 M HA 0.168 4.648 4.480 -0.001 0.000 0.356 418 M C 0.972 177.279 176.300 0.013 0.000 1.303 418 M CA 0.147 55.454 55.300 0.012 0.000 1.116 418 M CB 0.075 32.685 32.600 0.016 0.000 1.632 418 M HN 0.353 nan 8.290 nan 0.000 0.469 419 I N 0.020 120.598 120.570 0.014 0.000 4.225 419 I HA 0.337 4.507 4.170 -0.001 0.000 0.327 419 I C 0.696 176.824 176.117 0.019 0.000 1.422 419 I CA -0.529 60.779 61.300 0.013 0.000 1.150 419 I CB 0.090 38.094 38.000 0.007 0.000 1.192 419 I HN 0.534 nan 8.210 nan 0.000 0.440 420 R N 3.449 123.964 120.500 0.025 0.000 2.538 420 R HA 0.104 4.444 4.340 -0.001 0.000 0.282 420 R C -0.485 175.838 176.300 0.038 0.000 1.009 420 R CA 0.287 56.406 56.100 0.033 0.000 1.063 420 R CB 0.557 30.880 30.300 0.037 0.000 0.945 420 R HN 0.280 nan 8.270 nan 0.000 0.414 421 K N 3.678 124.105 120.400 0.045 0.000 2.284 421 K HA 0.107 4.426 4.320 -0.001 0.000 0.287 421 K C -1.055 175.585 176.600 0.066 0.000 1.081 421 K CA -0.365 55.951 56.287 0.049 0.000 0.910 421 K CB 0.925 33.453 32.500 0.046 0.000 1.088 421 K HN 0.437 nan 8.250 nan 0.000 0.478 422 D N 4.212 124.650 120.400 0.063 0.000 2.359 422 D HA 0.177 4.816 4.640 -0.001 0.000 0.230 422 D C 0.127 176.471 176.300 0.072 0.000 1.118 422 D CA -0.219 53.831 54.000 0.083 0.000 0.844 422 D CB 0.890 41.743 40.800 0.088 0.000 1.059 422 D HN 0.231 nan 8.370 nan 0.000 0.493 423 L N 2.805 124.075 121.223 0.079 0.000 2.439 423 L HA 0.381 4.721 4.340 -0.001 0.000 0.259 423 L C -1.929 174.957 176.870 0.028 0.000 1.129 423 L CA -1.876 52.992 54.840 0.047 0.000 0.803 423 L CB 0.198 42.289 42.059 0.054 0.000 1.161 423 L HN 0.039 nan 8.230 nan 0.000 0.462 424 P HA 0.015 nan 4.420 nan 0.000 0.266 424 P C -1.168 176.096 177.300 -0.059 0.000 1.195 424 P CA -0.237 62.840 63.100 -0.039 0.000 0.768 424 P CB 0.283 31.942 31.700 -0.068 0.000 0.838 425 D N 1.714 122.080 120.400 -0.056 0.000 2.506 425 D HA 0.014 4.654 4.640 -0.001 0.000 0.234 425 D C 0.039 176.248 176.300 -0.152 0.000 1.143 425 D CA 0.784 54.740 54.000 -0.072 0.000 0.871 425 D CB 0.134 40.895 40.800 -0.064 0.000 1.190 425 D HN 0.204 nan 8.370 nan 0.000 0.459 426 L N 1.870 122.971 121.223 -0.204 0.000 2.322 426 L HA 0.421 4.760 4.340 -0.001 0.000 0.281 426 L C -0.425 176.353 176.870 -0.153 0.000 1.014 426 L CA -0.972 53.731 54.840 -0.229 0.000 0.815 426 L CB 1.740 43.657 42.059 -0.235 0.000 1.247 426 L HN 0.018 nan 8.230 nan 0.000 0.421 427 V N 3.155 122.892 119.914 -0.295 0.000 2.459 427 V HA 0.452 4.572 4.120 -0.001 0.000 0.295 427 V C -0.915 174.910 176.094 -0.448 0.000 1.029 427 V CA -0.623 61.549 62.300 -0.214 0.000 0.874 427 V CB 1.506 33.233 31.823 -0.161 0.000 0.985 427 V HN 0.426 nan 8.190 nan 0.000 0.438 428 Y N 2.624 122.953 120.300 0.047 0.000 2.536 428 Y HA 0.429 4.979 4.550 -0.000 0.000 0.347 428 Y C 1.043 176.968 175.900 0.040 0.000 1.000 428 Y CA -1.029 57.102 58.100 0.053 0.000 1.051 428 Y CB 1.951 40.457 38.460 0.076 0.000 1.259 428 Y HN 0.407 nan 8.280 nan 0.000 0.468 429 M N 0.564 120.271 119.600 0.179 0.000 2.082 429 M HA -0.088 4.391 4.480 -0.001 0.000 0.258 429 M C 0.667 177.034 176.300 0.111 0.000 1.071 429 M CA 1.763 57.130 55.300 0.111 0.000 1.103 429 M CB -1.127 31.530 32.600 0.094 0.000 1.307 429 M HN 0.822 nan 8.290 nan 0.000 0.409 430 T N -3.251 111.378 114.554 0.126 0.000 2.907 430 T HA 0.332 4.681 4.350 -0.001 0.000 0.292 430 T C 0.867 175.611 174.700 0.074 0.000 1.043 430 T CA -0.885 61.265 62.100 0.083 0.000 1.003 430 T CB 2.247 71.148 68.868 0.054 0.000 1.084 430 T HN 0.160 nan 8.240 nan 0.000 0.483 431 E N 0.983 121.209 120.200 0.045 0.000 2.136 431 E HA -0.270 4.080 4.350 -0.001 0.000 0.202 431 E C 2.300 178.883 176.600 -0.028 0.000 1.019 431 E CA 1.797 58.204 56.400 0.012 0.000 0.819 431 E CB -0.573 29.130 29.700 0.005 0.000 0.739 431 E HN 0.836 nan 8.360 nan 0.000 0.458 432 A N 1.330 124.138 122.820 -0.020 0.000 1.898 432 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 432 A C 2.032 179.572 177.584 -0.073 0.000 1.181 432 A CA 1.348 53.360 52.037 -0.042 0.000 0.620 432 A CB -0.356 18.633 19.000 -0.019 0.000 0.819 432 A HN 0.195 nan 8.150 nan 0.000 0.442 433 E N -0.416 119.754 120.200 -0.049 0.000 2.072 433 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 433 E C 2.092 178.485 176.600 -0.345 0.000 0.985 433 E CA 1.327 57.675 56.400 -0.086 0.000 0.801 433 E CB -0.141 29.610 29.700 0.085 0.000 0.750 433 E HN 0.668 nan 8.360 nan 0.000 0.452 434 K N 0.972 121.185 120.400 -0.311 0.000 1.991 434 K HA -0.208 4.111 4.320 -0.001 0.000 0.212 434 K C 2.117 178.464 176.600 -0.422 0.000 1.049 434 K CA 1.373 57.375 56.287 -0.475 0.000 0.932 434 K CB -0.166 32.286 32.500 -0.080 0.000 0.717 434 K HN -0.050 nan 8.250 nan 0.000 0.441 435 I N 1.738 122.154 120.570 -0.257 0.000 2.208 435 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 435 I C 2.545 178.517 176.117 -0.243 0.000 1.097 435 I CA 1.367 62.527 61.300 -0.234 0.000 1.363 435 I CB -0.299 37.612 38.000 -0.149 0.000 1.051 435 I HN 0.290 nan 8.210 nan 0.000 0.413 436 Q N 0.049 119.722 119.800 -0.213 0.000 2.170 436 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 436 Q C 2.456 178.341 176.000 -0.191 0.000 0.976 436 Q CA 1.718 57.419 55.803 -0.170 0.000 0.858 436 Q CB -0.695 27.973 28.738 -0.116 0.000 0.907 436 Q HN 0.613 nan 8.270 nan 0.000 0.433 437 A N 0.874 123.512 122.820 -0.303 0.000 1.877 437 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 437 A C 2.207 179.667 177.584 -0.207 0.000 1.186 437 A CA 1.189 53.089 52.037 -0.228 0.000 0.620 437 A CB -0.724 18.029 19.000 -0.412 0.000 0.822 437 A HN 0.318 nan 8.150 nan 0.000 0.443 438 I N -0.028 120.275 120.570 -0.445 0.000 2.194 438 I HA -0.274 3.895 4.170 -0.001 0.000 0.246 438 I C 2.125 178.099 176.117 -0.237 0.000 1.093 438 I CA 1.040 62.042 61.300 -0.496 0.000 1.355 438 I CB -0.278 37.375 38.000 -0.577 0.000 1.046 438 I HN 0.258 nan 8.210 nan 0.000 0.413 439 I N 0.123 120.578 120.570 -0.191 0.000 2.252 439 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 439 I C 2.569 178.635 176.117 -0.085 0.000 1.102 439 I CA 1.406 62.629 61.300 -0.128 0.000 1.385 439 I CB -1.321 36.611 38.000 -0.113 0.000 1.064 439 I HN 0.251 nan 8.210 nan 0.000 0.414 440 E N 0.590 120.744 120.200 -0.076 0.000 2.077 440 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 440 E C 1.830 178.416 176.600 -0.022 0.000 0.989 440 E CA 1.226 57.604 56.400 -0.038 0.000 0.800 440 E CB -0.292 29.396 29.700 -0.019 0.000 0.746 440 E HN 0.406 nan 8.360 nan 0.000 0.452 441 D N 0.407 120.800 120.400 -0.011 0.000 2.123 441 D HA -0.121 4.519 4.640 -0.001 0.000 0.196 441 D C 2.067 178.352 176.300 -0.025 0.000 0.992 441 D CA 0.839 54.840 54.000 0.002 0.000 0.833 441 D CB -0.186 40.663 40.800 0.083 0.000 0.954 441 D HN 0.164 nan 8.370 nan 0.000 0.455 442 I N -0.017 120.541 120.570 -0.020 0.000 2.202 442 I HA -0.202 3.968 4.170 -0.001 0.000 0.242 442 I C 2.574 178.682 176.117 -0.015 0.000 1.091 442 I CA 0.817 62.111 61.300 -0.010 0.000 1.368 442 I CB -0.283 37.700 38.000 -0.029 0.000 1.058 442 I HN 0.024 nan 8.210 nan 0.000 0.410 443 K N 1.134 121.520 120.400 -0.023 0.000 2.032 443 K HA -0.223 4.097 4.320 -0.001 0.000 0.209 443 K C 1.985 178.574 176.600 -0.018 0.000 1.048 443 K CA 1.691 57.967 56.287 -0.018 0.000 0.927 443 K CB 0.018 32.505 32.500 -0.021 0.000 0.712 443 K HN 0.339 nan 8.250 nan 0.000 0.441 444 E N -0.237 119.948 120.200 -0.025 0.000 2.107 444 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 444 E C 2.240 178.817 176.600 -0.039 0.000 0.982 444 E CA 0.759 57.141 56.400 -0.030 0.000 0.809 444 E CB 0.074 29.753 29.700 -0.036 0.000 0.756 444 E HN 0.285 nan 8.360 nan 0.000 0.459 445 R N 0.384 120.853 120.500 -0.051 0.000 2.062 445 R HA -0.077 4.262 4.340 -0.001 0.000 0.229 445 R C 2.744 179.028 176.300 -0.025 0.000 1.128 445 R CA 1.848 57.913 56.100 -0.058 0.000 0.960 445 R CB -0.495 29.750 30.300 -0.092 0.000 0.855 445 R HN 0.244 nan 8.270 nan 0.000 0.432 446 T N -0.884 113.665 114.554 -0.007 0.000 2.821 446 T HA -0.029 4.320 4.350 -0.001 0.000 0.267 446 T C 2.141 176.843 174.700 0.003 0.000 1.046 446 T CA 1.008 63.113 62.100 0.009 0.000 1.139 446 T CB -0.258 68.625 68.868 0.024 0.000 0.871 446 T HN 0.225 nan 8.240 nan 0.000 0.454 447 A N 2.136 124.954 122.820 -0.004 0.000 1.917 447 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 447 A C 2.312 179.888 177.584 -0.014 0.000 1.182 447 A CA 1.913 53.945 52.037 -0.007 0.000 0.633 447 A CB -0.692 18.302 19.000 -0.010 0.000 0.819 447 A HN 0.427 nan 8.150 nan 0.000 0.448 448 K N -1.462 118.925 120.400 -0.022 0.000 2.442 448 K HA 0.121 4.441 4.320 -0.001 0.000 0.198 448 K C 1.176 177.757 176.600 -0.032 0.000 1.042 448 K CA 0.890 57.160 56.287 -0.030 0.000 0.958 448 K CB -0.378 32.099 32.500 -0.038 0.000 0.766 448 K HN 0.906 nan 8.250 nan 0.000 0.474 449 G N 0.373 109.159 108.800 -0.023 0.000 2.141 449 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.231 449 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.231 449 G C -0.192 174.691 174.900 -0.027 0.000 0.984 449 G CA 0.155 45.239 45.100 -0.027 0.000 0.660 449 G HN 0.385 nan 8.290 nan 0.000 0.525 450 Q N 1.210 121.000 119.800 -0.016 0.000 2.267 450 Q HA 0.525 4.865 4.340 -0.001 0.000 0.255 450 Q C -2.188 173.827 176.000 0.026 0.000 0.923 450 Q CA -2.118 53.682 55.803 -0.006 0.000 0.925 450 Q CB 1.795 30.526 28.738 -0.011 0.000 1.195 450 Q HN 0.275 nan 8.270 nan 0.000 0.417 451 P HA 0.099 nan 4.420 nan 0.000 0.278 451 P C -1.106 176.242 177.300 0.081 0.000 1.238 451 P CA -0.193 62.946 63.100 0.065 0.000 0.794 451 P CB 1.239 32.981 31.700 0.070 0.000 0.955 452 V N 3.531 123.492 119.914 0.079 0.000 2.735 452 V HA 0.421 4.541 4.120 -0.001 0.000 0.310 452 V C -0.129 175.988 176.094 0.037 0.000 1.061 452 V CA -0.792 61.553 62.300 0.076 0.000 0.913 452 V CB 1.969 33.849 31.823 0.095 0.000 1.005 452 V HN 0.423 nan 8.190 nan 0.000 0.428 453 L N 4.962 126.182 121.223 -0.006 0.000 2.356 453 L HA 0.777 5.117 4.340 -0.001 0.000 0.277 453 L C -0.869 175.960 176.870 -0.069 0.000 0.996 453 L CA -0.112 54.714 54.840 -0.023 0.000 0.822 453 L CB 1.933 43.980 42.059 -0.021 0.000 1.256 453 L HN 0.440 nan 8.230 nan 0.000 0.413 454 V N 4.565 124.448 119.914 -0.052 0.000 2.378 454 V HA 0.726 4.846 4.120 -0.001 0.000 0.288 454 V C 0.539 176.603 176.094 -0.050 0.000 1.016 454 V CA -0.348 61.907 62.300 -0.076 0.000 0.840 454 V CB 1.270 33.045 31.823 -0.080 0.000 0.994 454 V HN 0.911 nan 8.190 nan 0.000 0.431 455 G N 2.772 111.539 108.800 -0.056 0.000 2.368 455 G HA2 0.627 4.587 3.960 -0.001 0.000 0.320 455 G HA3 0.627 4.587 3.960 -0.001 0.000 0.320 455 G C -0.063 174.854 174.900 0.028 0.000 1.158 455 G CA -0.156 44.945 45.100 0.002 0.000 0.912 455 G HN 0.762 nan 8.290 nan 0.000 0.456 456 T N -0.062 114.520 114.554 0.045 0.000 2.940 456 T HA 0.500 4.849 4.350 -0.001 0.000 0.288 456 T C 1.389 176.134 174.700 0.076 0.000 1.045 456 T CA -0.621 61.503 62.100 0.039 0.000 1.018 456 T CB 1.585 70.460 68.868 0.012 0.000 1.151 456 T HN 0.697 nan 8.240 nan 0.000 0.529 457 I N -0.770 119.812 120.570 0.020 0.000 3.603 457 I HA 0.318 4.488 4.170 -0.001 0.000 0.297 457 I C 0.536 176.680 176.117 0.046 0.000 1.269 457 I CA -0.369 60.943 61.300 0.020 0.000 1.361 457 I CB -0.117 37.781 38.000 -0.169 0.000 1.063 457 I HN 0.686 nan 8.210 nan 0.000 0.448 458 S N -0.531 115.188 115.700 0.032 0.000 2.671 458 S HA 0.508 4.978 4.470 -0.001 0.000 0.277 458 S C 0.410 175.029 174.600 0.032 0.000 1.165 458 S CA -0.789 57.432 58.200 0.035 0.000 0.822 458 S CB 1.441 64.655 63.200 0.023 0.000 1.150 458 S HN 0.086 nan 8.310 nan 0.000 0.479 459 I N 1.373 121.963 120.570 0.034 0.000 2.226 459 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 459 I C 2.326 178.459 176.117 0.026 0.000 1.100 459 I CA 1.697 63.017 61.300 0.034 0.000 1.374 459 I CB -0.464 37.557 38.000 0.036 0.000 1.057 459 I HN 0.729 nan 8.210 nan 0.000 0.413 460 E N 0.898 121.110 120.200 0.020 0.000 2.051 460 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 460 E C 2.077 178.681 176.600 0.006 0.000 0.991 460 E CA 1.091 57.499 56.400 0.014 0.000 0.799 460 E CB -0.281 29.426 29.700 0.012 0.000 0.748 460 E HN 0.294 nan 8.360 nan 0.000 0.449 461 K N 0.581 120.983 120.400 0.003 0.000 2.097 461 K HA 0.030 4.349 4.320 -0.001 0.000 0.206 461 K C 2.329 178.920 176.600 -0.015 0.000 1.049 461 K CA 0.970 57.252 56.287 -0.008 0.000 0.933 461 K CB -0.283 32.211 32.500 -0.010 0.000 0.717 461 K HN 0.031 nan 8.250 nan 0.000 0.442 462 S N 1.555 117.255 115.700 -0.000 0.000 2.359 462 S HA -0.152 4.318 4.470 -0.001 0.000 0.224 462 S C 1.887 176.488 174.600 0.002 0.000 1.035 462 S CA 1.330 59.531 58.200 0.002 0.000 1.018 462 S CB -0.131 63.084 63.200 0.025 0.000 0.876 462 S HN 0.382 nan 8.310 nan 0.000 0.448 463 E N 0.436 120.644 120.200 0.013 0.000 2.110 463 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 463 E C 2.042 178.641 176.600 -0.001 0.000 0.988 463 E CA 0.786 57.197 56.400 0.017 0.000 0.804 463 E CB -0.179 29.534 29.700 0.022 0.000 0.745 463 E HN 0.218 nan 8.360 nan 0.000 0.458 464 L N 0.365 121.580 121.223 -0.014 0.000 1.994 464 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 464 L C 2.325 179.161 176.870 -0.056 0.000 1.071 464 L CA 1.398 56.221 54.840 -0.029 0.000 0.745 464 L CB -0.656 41.385 42.059 -0.030 0.000 0.892 464 L HN 0.051 nan 8.230 nan 0.000 0.431 465 V N -1.582 118.287 119.914 -0.076 0.000 2.343 465 V HA -0.271 3.849 4.120 -0.001 0.000 0.247 465 V C 2.692 178.685 176.094 -0.169 0.000 1.051 465 V CA 2.055 64.281 62.300 -0.123 0.000 1.036 465 V CB -0.111 31.633 31.823 -0.132 0.000 0.654 465 V HN 0.724 nan 8.190 nan 0.000 0.451 466 S N 0.743 116.358 115.700 -0.142 0.000 2.377 466 S HA -0.293 4.177 4.470 -0.001 0.000 0.224 466 S C 1.855 176.414 174.600 -0.068 0.000 1.042 466 S CA 2.471 60.577 58.200 -0.156 0.000 1.086 466 S CB -0.706 62.541 63.200 0.079 0.000 0.995 466 S HN 0.777 nan 8.310 nan 0.000 0.428 467 N N 1.416 120.112 118.700 -0.007 0.000 2.137 467 N HA -0.076 4.664 4.740 -0.001 0.000 0.190 467 N C 1.699 177.199 175.510 -0.016 0.000 1.017 467 N CA 1.308 54.363 53.050 0.009 0.000 0.859 467 N CB -0.520 37.971 38.487 0.006 0.000 1.002 467 N HN 0.517 nan 8.380 nan 0.000 0.428 468 E N 0.439 120.606 120.200 -0.054 0.000 2.107 468 E HA -0.015 4.334 4.350 -0.001 0.000 0.191 468 E C 2.179 178.734 176.600 -0.075 0.000 0.982 468 E CA 0.272 56.634 56.400 -0.064 0.000 0.809 468 E CB -0.178 29.472 29.700 -0.084 0.000 0.756 468 E HN 0.395 nan 8.360 nan 0.000 0.459 469 L N 0.641 121.786 121.223 -0.130 0.000 2.046 469 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 469 L C 2.513 179.380 176.870 -0.005 0.000 1.077 469 L CA 1.369 56.132 54.840 -0.129 0.000 0.747 469 L CB -0.597 41.249 42.059 -0.355 0.000 0.896 469 L HN 0.091 nan 8.230 nan 0.000 0.432 470 T N -0.649 113.946 114.554 0.068 0.000 2.746 470 T HA -0.254 4.096 4.350 -0.001 0.000 0.267 470 T C 1.877 176.602 174.700 0.042 0.000 1.039 470 T CA 1.603 63.770 62.100 0.111 0.000 1.142 470 T CB -0.140 68.808 68.868 0.132 0.000 0.866 470 T HN 0.262 nan 8.240 nan 0.000 0.444 471 K N 1.334 121.744 120.400 0.017 0.000 2.147 471 K HA 0.031 4.351 4.320 -0.001 0.000 0.205 471 K C 2.039 178.638 176.600 -0.001 0.000 1.049 471 K CA 1.210 57.499 56.287 0.003 0.000 0.936 471 K CB -0.226 32.269 32.500 -0.008 0.000 0.722 471 K HN 0.285 nan 8.250 nan 0.000 0.446 472 A N 0.211 123.027 122.820 -0.006 0.000 2.238 472 A HA 0.230 4.549 4.320 -0.001 0.000 0.208 472 A C 1.211 178.798 177.584 0.006 0.000 1.177 472 A CA 0.586 52.618 52.037 -0.008 0.000 0.804 472 A CB -0.507 18.479 19.000 -0.023 0.000 0.823 472 A HN 0.563 nan 8.150 nan 0.000 0.482 473 G N -0.591 108.221 108.800 0.020 0.000 2.198 473 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.260 473 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.260 473 G C 0.023 174.947 174.900 0.040 0.000 1.025 473 G CA 0.485 45.601 45.100 0.027 0.000 0.769 473 G HN 0.515 nan 8.290 nan 0.000 0.507 474 I N 1.256 121.863 120.570 0.061 0.000 2.297 474 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 474 I C 0.745 176.970 176.117 0.180 0.000 1.033 474 I CA -0.698 60.651 61.300 0.082 0.000 1.253 474 I CB 0.895 38.922 38.000 0.044 0.000 1.396 474 I HN -0.045 nan 8.210 nan 0.000 0.476 475 K N 6.908 127.377 120.400 0.114 0.000 2.326 475 K HA 0.327 4.647 4.320 -0.001 0.000 0.275 475 K C -0.303 176.373 176.600 0.127 0.000 1.018 475 K CA -0.237 56.091 56.287 0.069 0.000 0.962 475 K CB 0.751 33.250 32.500 -0.002 0.000 0.953 475 K HN 0.696 nan 8.250 nan 0.000 0.475 476 H N -0.246 118.820 119.070 -0.006 0.000 2.918 476 H HA 0.389 4.944 4.556 -0.001 0.000 0.303 476 H C -1.342 173.981 175.328 -0.008 0.000 1.380 476 H CA -1.032 55.014 56.048 -0.003 0.000 1.134 476 H CB 0.995 30.754 29.762 -0.005 0.000 1.842 476 H HN 0.583 nan 8.280 nan 0.000 0.533 477 N N -0.511 118.216 118.700 0.045 0.000 2.242 477 N HA 0.463 5.202 4.740 -0.001 0.000 0.292 477 N C -1.400 174.184 175.510 0.123 0.000 1.125 477 N CA -0.751 52.301 53.050 0.005 0.000 0.783 477 N CB 3.359 41.839 38.487 -0.011 0.000 1.558 477 N HN 0.316 nan 8.380 nan 0.000 0.472 478 V N 2.010 121.984 119.914 0.099 0.000 2.427 478 V HA 0.325 4.445 4.120 -0.001 0.000 0.286 478 V C -0.127 176.015 176.094 0.080 0.000 1.034 478 V CA -0.764 61.599 62.300 0.106 0.000 0.893 478 V CB 1.202 33.092 31.823 0.111 0.000 0.982 478 V HN 0.496 nan 8.190 nan 0.000 0.452 479 L N 5.031 126.300 121.223 0.076 0.000 2.407 479 L HA 0.281 4.621 4.340 -0.001 0.000 0.282 479 L C 0.472 177.404 176.870 0.103 0.000 1.110 479 L CA 0.080 54.968 54.840 0.080 0.000 0.863 479 L CB 0.017 42.112 42.059 0.059 0.000 1.207 479 L HN 0.591 nan 8.230 nan 0.000 0.454 480 N N 2.714 121.504 118.700 0.150 0.000 2.457 480 N HA 0.230 4.969 4.740 -0.001 0.000 0.250 480 N C 0.729 176.353 175.510 0.191 0.000 0.982 480 N CA -0.111 53.056 53.050 0.194 0.000 0.941 480 N CB 1.936 40.607 38.487 0.306 0.000 1.120 480 N HN 0.633 nan 8.380 nan 0.000 0.505 481 A N 4.440 127.333 122.820 0.122 0.000 2.139 481 A HA -0.148 4.171 4.320 -0.001 0.000 0.221 481 A C 1.705 179.336 177.584 0.077 0.000 1.159 481 A CA 1.289 53.403 52.037 0.127 0.000 0.662 481 A CB -0.160 18.891 19.000 0.084 0.000 0.796 481 A HN 0.741 nan 8.150 nan 0.000 0.463 482 K N -1.666 118.671 120.400 -0.104 0.000 2.418 482 K HA 0.078 4.398 4.320 -0.001 0.000 0.195 482 K C -0.801 175.362 176.600 -0.727 0.000 1.035 482 K CA 0.395 56.383 56.287 -0.499 0.000 1.003 482 K CB 0.114 32.124 32.500 -0.816 0.000 0.793 482 K HN 0.497 nan 8.250 nan 0.000 0.494 483 F N 0.657 120.631 119.950 0.041 0.000 2.453 483 F HA 0.284 4.811 4.527 -0.000 0.000 0.358 483 F C 1.053 176.934 175.800 0.134 0.000 1.129 483 F CA -0.768 57.252 58.000 0.033 0.000 1.200 483 F CB 0.427 39.439 39.000 0.021 0.000 1.431 483 F HN 0.009 nan 8.300 nan 0.000 0.503 484 H N 0.798 119.918 119.070 0.082 0.000 2.389 484 H HA -0.124 4.431 4.556 -0.001 0.000 0.299 484 H C 2.095 177.455 175.328 0.053 0.000 1.081 484 H CA 0.962 57.037 56.048 0.045 0.000 1.345 484 H CB 0.501 30.265 29.762 0.004 0.000 1.393 484 H HN 0.647 nan 8.280 nan 0.000 0.520 485 A N 1.429 124.368 122.820 0.198 0.000 1.898 485 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 485 A C 2.067 179.706 177.584 0.091 0.000 1.181 485 A CA 1.457 53.562 52.037 0.113 0.000 0.620 485 A CB -0.244 18.810 19.000 0.090 0.000 0.819 485 A HN 0.362 nan 8.150 nan 0.000 0.442 486 N N 0.269 119.040 118.700 0.119 0.000 2.104 486 N HA -0.151 4.589 4.740 -0.001 0.000 0.190 486 N C 1.627 177.177 175.510 0.067 0.000 1.024 486 N CA 1.708 54.800 53.050 0.070 0.000 0.853 486 N CB -0.410 38.114 38.487 0.062 0.000 1.008 486 N HN 0.687 nan 8.380 nan 0.000 0.424 487 E N 0.518 120.779 120.200 0.102 0.000 2.047 487 E HA -0.033 4.317 4.350 -0.001 0.000 0.191 487 E C 1.999 178.618 176.600 0.032 0.000 0.987 487 E CA 1.035 57.476 56.400 0.069 0.000 0.799 487 E CB -0.133 29.610 29.700 0.071 0.000 0.752 487 E HN 0.347 nan 8.360 nan 0.000 0.449 488 A N 1.594 124.429 122.820 0.025 0.000 1.908 488 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 488 A C 2.397 179.984 177.584 0.005 0.000 1.181 488 A CA 1.849 53.889 52.037 0.004 0.000 0.627 488 A CB -0.703 18.296 19.000 -0.001 0.000 0.818 488 A HN 0.301 nan 8.150 nan 0.000 0.445 489 A N -0.349 122.477 122.820 0.010 0.000 1.933 489 A HA -0.054 4.266 4.320 -0.001 0.000 0.218 489 A C 2.121 179.705 177.584 -0.001 0.000 1.175 489 A CA 1.533 53.570 52.037 0.000 0.000 0.628 489 A CB -0.525 18.473 19.000 -0.003 0.000 0.814 489 A HN 0.512 nan 8.150 nan 0.000 0.444 490 I N -0.779 119.795 120.570 0.006 0.000 2.233 490 I HA -0.164 4.006 4.170 -0.001 0.000 0.243 490 I C 2.325 178.455 176.117 0.022 0.000 1.093 490 I CA 0.783 62.088 61.300 0.009 0.000 1.380 490 I CB -0.297 37.713 38.000 0.017 0.000 1.067 490 I HN 0.128 nan 8.210 nan 0.000 0.413 491 V N 1.329 121.255 119.914 0.022 0.000 2.324 491 V HA -0.377 3.743 4.120 -0.001 0.000 0.250 491 V C 2.739 178.853 176.094 0.034 0.000 1.060 491 V CA 2.207 64.522 62.300 0.025 0.000 1.042 491 V CB -1.095 30.735 31.823 0.011 0.000 0.650 491 V HN 0.529 nan 8.190 nan 0.000 0.450 492 A N -0.956 121.879 122.820 0.025 0.000 1.902 492 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 492 A C 1.980 179.608 177.584 0.074 0.000 1.181 492 A CA 1.539 53.595 52.037 0.032 0.000 0.623 492 A CB -0.302 18.705 19.000 0.011 0.000 0.818 492 A HN 0.545 nan 8.150 nan 0.000 0.443 493 Q N -0.962 118.880 119.800 0.069 0.000 2.220 493 Q HA 0.408 4.748 4.340 -0.001 0.000 0.205 493 Q C 1.575 177.662 176.000 0.144 0.000 0.865 493 Q CA 0.585 56.456 55.803 0.114 0.000 0.960 493 Q CB -0.309 28.433 28.738 0.006 0.000 1.097 493 Q HN 0.618 nan 8.270 nan 0.000 0.493 494 A N 0.209 123.094 122.820 0.109 0.000 2.125 494 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 494 A C 1.800 179.462 177.584 0.131 0.000 1.156 494 A CA 1.443 53.542 52.037 0.104 0.000 0.671 494 A CB -0.304 18.739 19.000 0.071 0.000 0.794 494 A HN 0.359 nan 8.150 nan 0.000 0.459 495 G N -2.498 106.400 108.800 0.162 0.000 3.284 495 G HA2 0.282 4.242 3.960 -0.001 0.000 0.236 495 G HA3 0.282 4.242 3.960 -0.001 0.000 0.236 495 G C 0.175 175.178 174.900 0.171 0.000 1.158 495 G CA -0.368 44.822 45.100 0.150 0.000 0.774 495 G HN 0.419 nan 8.290 nan 0.000 0.545 496 Y N 1.490 121.837 120.300 0.080 0.000 2.480 496 Y HA 0.275 4.825 4.550 -0.001 0.000 0.338 496 Y C -1.828 174.096 175.900 0.040 0.000 1.220 496 Y CA -1.790 56.352 58.100 0.071 0.000 1.430 496 Y CB 0.867 39.370 38.460 0.071 0.000 1.311 496 Y HN -0.029 nan 8.280 nan 0.000 0.575 497 P HA -0.002 nan 4.420 nan 0.000 0.260 497 P C -0.303 177.048 177.300 0.086 0.000 1.172 497 P CA 2.033 65.084 63.100 -0.082 0.000 0.760 497 P CB 0.379 31.968 31.700 -0.186 0.000 0.773 498 A N 2.622 125.481 122.820 0.065 0.000 3.153 498 A HA -0.164 4.155 4.320 -0.001 0.000 0.265 498 A C 0.903 178.551 177.584 0.107 0.000 1.212 498 A CA 0.787 52.870 52.037 0.077 0.000 1.018 498 A CB -2.347 16.693 19.000 0.067 0.000 1.130 498 A HN 0.746 nan 8.150 nan 0.000 0.873 499 A N -0.490 122.415 122.820 0.143 0.000 2.540 499 A HA 0.490 4.810 4.320 -0.001 0.000 0.239 499 A C 0.306 177.949 177.584 0.098 0.000 1.061 499 A CA 0.968 53.084 52.037 0.131 0.000 0.758 499 A CB 0.244 19.341 19.000 0.161 0.000 0.991 499 A HN 1.491 nan 8.150 nan 0.000 0.502 500 V N 2.882 122.854 119.914 0.097 0.000 2.483 500 V HA 0.562 4.681 4.120 -0.001 0.000 0.297 500 V C -0.023 176.135 176.094 0.108 0.000 1.027 500 V CA -0.350 62.007 62.300 0.095 0.000 0.855 500 V CB 1.874 33.759 31.823 0.103 0.000 0.995 500 V HN 0.967 nan 8.190 nan 0.000 0.424 501 T N 6.008 120.607 114.554 0.075 0.000 2.861 501 T HA 0.665 5.015 4.350 -0.001 0.000 0.287 501 T C -0.727 174.001 174.700 0.047 0.000 1.003 501 T CA -0.360 61.782 62.100 0.070 0.000 0.977 501 T CB 1.420 70.320 68.868 0.053 0.000 0.996 501 T HN 0.361 nan 8.240 nan 0.000 0.448 502 I N 2.406 123.011 120.570 0.058 0.000 2.436 502 I HA 0.742 4.912 4.170 -0.001 0.000 0.289 502 I C -0.088 176.051 176.117 0.038 0.000 1.010 502 I CA -0.961 60.356 61.300 0.028 0.000 1.098 502 I CB 1.275 39.289 38.000 0.022 0.000 1.266 502 I HN 0.722 nan 8.210 nan 0.000 0.434 503 A N 4.179 127.015 122.820 0.027 0.000 2.401 503 A HA 0.814 5.134 4.320 -0.001 0.000 0.310 503 A C -0.429 177.181 177.584 0.043 0.000 1.075 503 A CA -0.500 51.559 52.037 0.036 0.000 0.746 503 A CB 1.573 20.591 19.000 0.030 0.000 1.277 503 A HN 0.626 nan 8.150 nan 0.000 0.425 504 T N 2.676 117.261 114.554 0.051 0.000 2.758 504 T HA 0.353 4.703 4.350 -0.001 0.000 0.285 504 T C -0.107 174.635 174.700 0.070 0.000 0.981 504 T CA -0.244 61.893 62.100 0.061 0.000 0.965 504 T CB 0.208 69.110 68.868 0.056 0.000 0.927 504 T HN 0.693 nan 8.240 nan 0.000 0.448 505 N N 2.885 121.649 118.700 0.108 0.000 2.678 505 N HA -0.154 4.585 4.740 -0.001 0.000 0.268 505 N C -0.004 175.533 175.510 0.046 0.000 1.010 505 N CA 0.449 53.569 53.050 0.116 0.000 0.784 505 N CB -0.691 37.867 38.487 0.117 0.000 0.905 505 N HN 0.660 nan 8.380 nan 0.000 0.552 506 M N -0.005 119.622 119.600 0.044 0.000 2.255 506 M HA -0.062 4.417 4.480 -0.001 0.000 0.356 506 M C 1.373 177.666 176.300 -0.011 0.000 1.338 506 M CA 0.870 56.180 55.300 0.017 0.000 0.962 506 M CB 0.592 33.206 32.600 0.023 0.000 1.877 506 M HN 0.496 nan 8.290 nan 0.000 0.463 507 A N 4.067 126.878 122.820 -0.016 0.000 1.962 507 A HA 0.499 4.819 4.320 -0.001 0.000 0.202 507 A C 0.853 178.423 177.584 -0.024 0.000 2.303 507 A CA 0.434 52.455 52.037 -0.027 0.000 1.341 507 A CB -0.652 18.334 19.000 -0.024 0.000 1.044 507 A HN 0.773 nan 8.150 nan 0.000 0.583 508 G N 0.534 109.319 108.800 -0.025 0.000 2.448 508 G HA2 0.443 4.402 3.960 -0.001 0.000 0.309 508 G HA3 0.443 4.402 3.960 -0.001 0.000 0.309 508 G C 0.732 175.621 174.900 -0.018 0.000 1.027 508 G CA 0.443 45.529 45.100 -0.023 0.000 1.104 508 G HN 0.990 nan 8.290 nan 0.000 0.428 509 R N 1.870 122.363 120.500 -0.011 0.000 4.119 509 R HA -0.253 4.086 4.340 -0.001 0.000 0.421 509 R C 0.974 177.272 176.300 -0.003 0.000 0.954 509 R CA 1.525 57.621 56.100 -0.006 0.000 1.727 509 R CB -2.332 27.965 30.300 -0.006 0.000 2.374 509 R HN 2.311 nan 8.270 nan 0.000 0.515 510 G N 0.579 109.373 108.800 -0.009 0.000 3.276 510 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.679 510 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.679 510 G C -0.028 174.866 174.900 -0.010 0.000 0.911 510 G CA 0.124 45.220 45.100 -0.007 0.000 0.797 510 G HN 0.478 nan 8.290 nan 0.000 0.503 511 T N 3.360 117.904 114.554 -0.018 0.000 2.800 511 T HA 0.224 4.573 4.350 -0.001 0.000 0.283 511 T C 0.877 175.576 174.700 -0.002 0.000 0.999 511 T CA 0.865 62.955 62.100 -0.017 0.000 1.176 511 T CB 0.171 69.025 68.868 -0.023 0.000 0.973 511 T HN 0.620 nan 8.240 nan 0.000 0.519 512 D N 2.236 122.636 120.400 0.000 0.000 2.378 512 D HA 0.203 4.842 4.640 -0.001 0.000 0.238 512 D C 0.328 176.646 176.300 0.031 0.000 1.180 512 D CA 0.132 54.142 54.000 0.017 0.000 0.895 512 D CB 0.492 41.302 40.800 0.017 0.000 1.192 512 D HN 0.412 nan 8.370 nan 0.000 0.438 513 I N 1.418 122.018 120.570 0.051 0.000 2.382 513 I HA 0.133 4.302 4.170 -0.001 0.000 0.285 513 I C -0.559 175.622 176.117 0.107 0.000 1.007 513 I CA -0.845 60.499 61.300 0.072 0.000 1.142 513 I CB 1.464 39.503 38.000 0.064 0.000 1.289 513 I HN -0.048 nan 8.210 nan 0.000 0.453 514 V N 7.239 127.235 119.914 0.136 0.000 2.488 514 V HA 0.231 4.350 4.120 -0.001 0.000 0.277 514 V C 0.510 176.770 176.094 0.277 0.000 1.046 514 V CA -0.534 61.899 62.300 0.222 0.000 0.986 514 V CB 1.108 33.060 31.823 0.214 0.000 0.989 514 V HN 0.477 nan 8.190 nan 0.000 0.475 515 L N 4.676 126.081 121.223 0.304 0.000 2.416 515 L HA 0.422 4.761 4.340 -0.001 0.000 0.272 515 L C 1.555 178.597 176.870 0.287 0.000 1.161 515 L CA 0.961 55.930 54.840 0.215 0.000 0.845 515 L CB 0.208 42.298 42.059 0.053 0.000 1.119 515 L HN 0.977 nan 8.230 nan 0.000 0.464 516 G N 1.981 110.826 108.800 0.075 0.000 2.304 516 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.252 516 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.252 516 G C 0.526 175.543 174.900 0.195 0.000 1.014 516 G CA 0.102 45.176 45.100 -0.043 0.000 0.619 516 G HN 1.518 nan 8.290 nan 0.000 0.525 517 G N -1.726 107.340 108.800 0.443 0.000 2.357 517 G HA2 0.510 4.470 3.960 -0.001 0.000 0.643 517 G HA3 0.510 4.470 3.960 -0.001 0.000 0.643 517 G C -0.173 175.027 174.900 0.499 0.000 1.358 517 G CA 0.449 45.846 45.100 0.495 0.000 0.986 517 G HN 2.000 nan 8.290 nan 0.000 0.620 518 S N 0.451 116.311 115.700 0.267 0.000 2.523 518 S HA 0.494 4.964 4.470 -0.001 0.000 0.275 518 S C 1.161 175.810 174.600 0.081 0.000 1.281 518 S CA 0.209 58.439 58.200 0.051 0.000 1.050 518 S CB 0.736 63.898 63.200 -0.063 0.000 0.937 518 S HN 1.493 nan 8.310 nan 0.000 0.492 519 W N 2.006 123.157 121.300 -0.248 0.000 3.077 519 W HA 0.140 4.800 4.660 -0.001 0.000 0.266 519 W C 0.840 177.267 176.519 -0.154 0.000 1.300 519 W CA -0.068 57.152 57.345 -0.208 0.000 1.586 519 W CB -0.816 28.395 29.460 -0.414 0.000 1.103 519 W HN 0.671 nan 8.180 nan 0.000 0.652 520 Q N 1.211 120.737 119.800 -0.457 0.000 2.123 520 Q HA 0.019 4.358 4.340 -0.001 0.000 0.196 520 Q C 2.750 178.646 176.000 -0.174 0.000 0.958 520 Q CA 1.463 57.011 55.803 -0.425 0.000 0.841 520 Q CB -0.369 27.968 28.738 -0.670 0.000 0.915 520 Q HN 0.207 nan 8.270 nan 0.000 0.455 521 A N 1.826 124.568 122.820 -0.131 0.000 1.915 521 A HA -0.329 3.990 4.320 -0.001 0.000 0.220 521 A C 1.825 179.404 177.584 -0.009 0.000 1.198 521 A CA 1.997 54.002 52.037 -0.053 0.000 0.647 521 A CB -0.606 18.380 19.000 -0.024 0.000 0.825 521 A HN 0.395 nan 8.150 nan 0.000 0.456 522 E N -0.676 119.543 120.200 0.032 0.000 2.013 522 E HA -0.207 4.143 4.350 -0.001 0.000 0.202 522 E C 2.167 178.805 176.600 0.064 0.000 1.018 522 E CA 1.953 58.396 56.400 0.073 0.000 0.834 522 E CB -0.609 29.180 29.700 0.147 0.000 0.770 522 E HN 0.702 nan 8.360 nan 0.000 0.459 523 V N 0.034 119.996 119.914 0.081 0.000 2.407 523 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 523 V C 2.239 178.344 176.094 0.017 0.000 1.055 523 V CA 1.893 64.233 62.300 0.066 0.000 1.049 523 V CB -0.708 31.178 31.823 0.105 0.000 0.662 523 V HN 0.285 nan 8.190 nan 0.000 0.455 524 A N 0.787 123.598 122.820 -0.015 0.000 1.917 524 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 524 A C 2.505 180.082 177.584 -0.011 0.000 1.182 524 A CA 2.751 54.772 52.037 -0.027 0.000 0.633 524 A CB -1.198 17.772 19.000 -0.049 0.000 0.819 524 A HN 1.178 nan 8.150 nan 0.000 0.448 525 A N -0.796 122.024 122.820 -0.001 0.000 2.066 525 A HA 0.299 4.619 4.320 -0.001 0.000 0.218 525 A C 1.110 178.699 177.584 0.008 0.000 1.157 525 A CA 0.132 52.171 52.037 0.003 0.000 0.670 525 A CB -0.427 18.577 19.000 0.008 0.000 0.804 525 A HN 0.467 nan 8.150 nan 0.000 0.453 526 L N -0.246 120.986 121.223 0.015 0.000 2.483 526 L HA 0.055 4.395 4.340 -0.001 0.000 0.275 526 L C 1.461 178.337 176.870 0.010 0.000 1.220 526 L CA -0.032 54.818 54.840 0.017 0.000 0.833 526 L CB 0.375 42.450 42.059 0.026 0.000 1.102 526 L HN 0.389 nan 8.230 nan 0.000 0.490 527 E N 0.910 121.115 120.200 0.009 0.000 2.389 527 E HA 0.006 4.356 4.350 -0.001 0.000 0.199 527 E C -0.030 176.574 176.600 0.007 0.000 0.978 527 E CA 0.247 56.650 56.400 0.006 0.000 0.912 527 E CB 0.541 30.244 29.700 0.005 0.000 0.907 527 E HN 0.543 nan 8.360 nan 0.000 0.494 528 N N 0.965 119.671 118.700 0.010 0.000 2.651 528 N HA 0.121 4.861 4.740 -0.001 0.000 0.277 528 N C -2.825 172.694 175.510 0.014 0.000 1.787 528 N CA -1.237 51.819 53.050 0.010 0.000 0.818 528 N CB 0.842 39.334 38.487 0.008 0.000 1.316 528 N HN -0.096 nan 8.380 nan 0.000 0.503 529 P HA 0.145 nan 4.420 nan 0.000 0.268 529 P C -0.275 177.039 177.300 0.022 0.000 1.204 529 P CA 0.198 63.313 63.100 0.024 0.000 0.768 529 P CB 0.872 32.591 31.700 0.032 0.000 0.842 530 T N -1.258 113.310 114.554 0.022 0.000 2.883 530 T HA 0.652 5.001 4.350 -0.001 0.000 0.284 530 T C 1.125 175.835 174.700 0.016 0.000 1.041 530 T CA -0.294 61.816 62.100 0.017 0.000 1.007 530 T CB 1.377 70.252 68.868 0.013 0.000 1.220 530 T HN 0.247 nan 8.240 nan 0.000 0.552 531 A N 0.491 123.317 122.820 0.011 0.000 1.825 531 A HA 0.003 4.322 4.320 -0.001 0.000 0.214 531 A C 2.154 179.738 177.584 -0.001 0.000 1.206 531 A CA 1.845 53.886 52.037 0.006 0.000 0.609 531 A CB -1.372 17.630 19.000 0.003 0.000 0.851 531 A HN 0.942 nan 8.150 nan 0.000 0.445 532 E N 0.109 120.309 120.200 -0.001 0.000 2.209 532 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 532 E C 2.043 178.641 176.600 -0.002 0.000 0.993 532 E CA 1.768 58.165 56.400 -0.005 0.000 0.819 532 E CB -0.407 29.292 29.700 -0.002 0.000 0.745 532 E HN 0.698 nan 8.360 nan 0.000 0.477 533 Q N -0.460 119.343 119.800 0.006 0.000 2.135 533 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 533 Q C 2.363 178.371 176.000 0.013 0.000 0.981 533 Q CA 1.964 57.776 55.803 0.014 0.000 0.856 533 Q CB -0.333 28.418 28.738 0.022 0.000 0.902 533 Q HN 0.614 nan 8.270 nan 0.000 0.425 534 I N -1.733 118.841 120.570 0.008 0.000 2.333 534 I HA -0.112 4.058 4.170 -0.001 0.000 0.246 534 I C 1.814 177.881 176.117 -0.083 0.000 1.106 534 I CA 1.040 62.339 61.300 -0.001 0.000 1.411 534 I CB -0.259 37.754 38.000 0.023 0.000 1.082 534 I HN -0.101 nan 8.210 nan 0.000 0.420 535 E N 1.591 121.745 120.200 -0.076 0.000 2.208 535 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 535 E C 1.988 178.539 176.600 -0.081 0.000 0.988 535 E CA 0.886 57.223 56.400 -0.105 0.000 0.828 535 E CB -0.114 29.544 29.700 -0.069 0.000 0.763 535 E HN 0.433 nan 8.360 nan 0.000 0.478 536 K N 1.318 121.692 120.400 -0.043 0.000 2.032 536 K HA -0.092 4.228 4.320 -0.001 0.000 0.209 536 K C 2.034 178.624 176.600 -0.017 0.000 1.048 536 K CA 0.994 57.269 56.287 -0.021 0.000 0.927 536 K CB -0.524 31.975 32.500 -0.000 0.000 0.712 536 K HN 0.044 nan 8.250 nan 0.000 0.441 537 I N 0.860 121.418 120.570 -0.019 0.000 2.179 537 I HA -0.312 3.858 4.170 -0.001 0.000 0.242 537 I C 2.065 178.138 176.117 -0.073 0.000 1.088 537 I CA 1.537 62.844 61.300 0.012 0.000 1.357 537 I CB -0.133 37.908 38.000 0.069 0.000 1.051 537 I HN 0.186 nan 8.210 nan 0.000 0.409 538 K N 0.644 120.856 120.400 -0.313 0.000 2.097 538 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 538 K C 2.181 178.704 176.600 -0.127 0.000 1.049 538 K CA 1.455 57.433 56.287 -0.514 0.000 0.933 538 K CB -0.371 31.670 32.500 -0.765 0.000 0.717 538 K HN 0.329 nan 8.250 nan 0.000 0.442 539 A N 2.805 125.571 122.820 -0.090 0.000 1.845 539 A HA -0.211 4.108 4.320 -0.001 0.000 0.215 539 A C 1.792 179.375 177.584 -0.003 0.000 1.195 539 A CA 1.965 53.980 52.037 -0.036 0.000 0.616 539 A CB -0.533 18.445 19.000 -0.037 0.000 0.832 539 A HN 0.234 nan 8.150 nan 0.000 0.443 540 D N -1.499 118.915 120.400 0.022 0.000 2.149 540 D HA -0.206 4.433 4.640 -0.001 0.000 0.198 540 D C 1.643 177.980 176.300 0.061 0.000 0.990 540 D CA 1.490 55.513 54.000 0.038 0.000 0.839 540 D CB -0.480 40.362 40.800 0.070 0.000 0.948 540 D HN 0.794 nan 8.370 nan 0.000 0.460 541 W N 1.796 123.062 121.300 -0.057 0.000 2.381 541 W HA -0.203 4.456 4.660 -0.001 0.000 0.301 541 W C 2.439 178.948 176.519 -0.017 0.000 1.205 541 W CA 1.300 58.632 57.345 -0.022 0.000 1.285 541 W CB -0.202 29.235 29.460 -0.039 0.000 1.133 541 W HN -0.150 nan 8.180 nan 0.000 0.521 542 Q N 0.519 120.238 119.800 -0.135 0.000 2.152 542 Q HA -0.188 4.152 4.340 -0.001 0.000 0.206 542 Q C 1.925 177.731 176.000 -0.323 0.000 0.985 542 Q CA 2.678 58.277 55.803 -0.340 0.000 0.863 542 Q CB -0.769 27.932 28.738 -0.062 0.000 0.904 542 Q HN 0.293 nan 8.270 nan 0.000 0.422 543 V N 0.070 119.855 119.914 -0.214 0.000 2.453 543 V HA -0.171 3.949 4.120 -0.001 0.000 0.247 543 V C 2.300 178.260 176.094 -0.222 0.000 1.048 543 V CA 1.960 64.159 62.300 -0.169 0.000 1.049 543 V CB -0.472 31.288 31.823 -0.105 0.000 0.672 543 V HN 0.305 nan 8.190 nan 0.000 0.457 544 R N -1.005 119.325 120.500 -0.284 0.000 2.073 544 R HA -0.116 4.224 4.340 -0.001 0.000 0.229 544 R C 2.426 178.509 176.300 -0.362 0.000 1.120 544 R CA 1.380 57.288 56.100 -0.320 0.000 0.967 544 R CB -0.550 29.553 30.300 -0.328 0.000 0.862 544 R HN 0.623 nan 8.270 nan 0.000 0.436 545 H N 1.165 119.829 119.070 -0.677 0.000 2.289 545 H HA -0.155 4.401 4.556 -0.001 0.000 0.296 545 H C 1.076 176.184 175.328 -0.367 0.000 1.091 545 H CA 2.038 57.699 56.048 -0.645 0.000 1.274 545 H CB 0.204 29.264 29.762 -1.170 0.000 1.364 545 H HN 0.142 nan 8.280 nan 0.000 0.490 546 D N 0.357 120.573 120.400 -0.306 0.000 2.144 546 D HA -0.073 4.566 4.640 -0.001 0.000 0.200 546 D C 2.280 178.450 176.300 -0.217 0.000 0.978 546 D CA 1.110 54.969 54.000 -0.235 0.000 0.833 546 D CB -0.564 40.154 40.800 -0.136 0.000 0.961 546 D HN 0.469 nan 8.370 nan 0.000 0.470 547 A N 0.629 123.326 122.820 -0.205 0.000 1.908 547 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 547 A C 2.498 179.977 177.584 -0.176 0.000 1.181 547 A CA 1.272 53.207 52.037 -0.170 0.000 0.627 547 A CB -0.744 18.159 19.000 -0.162 0.000 0.818 547 A HN 0.159 nan 8.150 nan 0.000 0.445 548 V N -0.093 119.689 119.914 -0.219 0.000 2.427 548 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 548 V C 2.533 178.522 176.094 -0.175 0.000 1.051 548 V CA 1.733 63.924 62.300 -0.181 0.000 1.048 548 V CB -0.672 31.041 31.823 -0.183 0.000 0.666 548 V HN 0.563 nan 8.190 nan 0.000 0.456 549 L N -0.411 120.663 121.223 -0.249 0.000 2.042 549 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 549 L C 2.743 179.535 176.870 -0.131 0.000 1.076 549 L CA 1.522 56.239 54.840 -0.206 0.000 0.749 549 L CB -0.532 41.363 42.059 -0.274 0.000 0.893 549 L HN 0.319 nan 8.230 nan 0.000 0.432 550 E N 0.211 120.335 120.200 -0.126 0.000 2.150 550 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 550 E C 2.023 178.580 176.600 -0.073 0.000 0.985 550 E CA 1.231 57.577 56.400 -0.090 0.000 0.814 550 E CB 0.082 29.729 29.700 -0.088 0.000 0.752 550 E HN 0.438 nan 8.360 nan 0.000 0.466 551 A N -0.555 122.217 122.820 -0.079 0.000 2.235 551 A HA 0.211 4.531 4.320 -0.001 0.000 0.208 551 A C 1.534 179.087 177.584 -0.051 0.000 1.172 551 A CA 1.206 53.205 52.037 -0.063 0.000 0.786 551 A CB -0.090 18.870 19.000 -0.067 0.000 0.804 551 A HN 0.310 nan 8.150 nan 0.000 0.479 552 G N -2.944 105.825 108.800 -0.051 0.000 2.168 552 G HA2 0.277 4.236 3.960 -0.001 0.000 0.197 552 G HA3 0.277 4.236 3.960 -0.001 0.000 0.197 552 G C 1.378 176.269 174.900 -0.015 0.000 0.997 552 G CA 0.387 45.469 45.100 -0.030 0.000 0.658 552 G HN 2.189 nan 8.290 nan 0.000 0.513 553 G N -0.742 108.036 108.800 -0.038 0.000 2.569 553 G HA2 0.079 4.039 3.960 -0.001 0.000 0.259 553 G HA3 0.079 4.039 3.960 -0.001 0.000 0.259 553 G C 0.086 174.994 174.900 0.013 0.000 1.263 553 G CA 0.274 45.355 45.100 -0.031 0.000 0.928 553 G HN 1.705 nan 8.290 nan 0.000 0.572 554 L N 0.936 122.176 121.223 0.028 0.000 2.319 554 L HA 0.638 4.978 4.340 -0.001 0.000 0.280 554 L C 0.481 177.398 176.870 0.079 0.000 1.099 554 L CA -0.335 54.535 54.840 0.050 0.000 0.828 554 L CB 0.734 42.815 42.059 0.037 0.000 1.150 554 L HN 0.839 nan 8.230 nan 0.000 0.442 555 H N 5.467 124.534 119.070 -0.004 0.000 2.552 555 H HA 0.464 5.019 4.556 -0.001 0.000 0.311 555 H C -0.746 174.572 175.328 -0.017 0.000 1.071 555 H CA -0.580 55.464 56.048 -0.007 0.000 1.307 555 H CB 0.552 30.311 29.762 -0.004 0.000 1.416 555 H HN 0.494 nan 8.280 nan 0.000 0.464 556 I N 7.337 127.606 120.570 -0.502 0.000 2.359 556 I HA 0.215 4.385 4.170 -0.001 0.000 0.294 556 I C -0.043 175.665 176.117 -0.682 0.000 0.987 556 I CA -0.510 60.523 61.300 -0.446 0.000 1.225 556 I CB 1.170 39.008 38.000 -0.270 0.000 1.366 556 I HN 0.634 nan 8.210 nan 0.000 0.466 557 I N 4.799 125.106 120.570 -0.438 0.000 2.410 557 I HA 0.332 4.502 4.170 -0.001 0.000 0.286 557 I C 0.562 176.486 176.117 -0.323 0.000 1.009 557 I CA -0.479 60.643 61.300 -0.297 0.000 1.111 557 I CB 2.031 39.964 38.000 -0.112 0.000 1.262 557 I HN 0.605 nan 8.210 nan 0.000 0.443 558 G N 2.734 111.206 108.800 -0.546 0.000 2.333 558 G HA2 0.312 4.272 3.960 -0.001 0.000 0.290 558 G HA3 0.312 4.272 3.960 -0.001 0.000 0.290 558 G C 0.940 175.852 174.900 0.020 0.000 1.150 558 G CA -0.199 44.684 45.100 -0.362 0.000 0.895 558 G HN 0.733 nan 8.290 nan 0.000 0.444 559 T N -0.196 114.378 114.554 0.034 0.000 3.043 559 T HA 0.174 4.524 4.350 -0.001 0.000 0.263 559 T C 0.557 175.329 174.700 0.119 0.000 1.094 559 T CA 0.572 62.698 62.100 0.043 0.000 1.127 559 T CB 0.178 69.019 68.868 -0.045 0.000 0.905 559 T HN 0.433 nan 8.240 nan 0.000 0.490 560 E N -0.207 120.072 120.200 0.131 0.000 2.383 560 E HA 0.576 4.925 4.350 -0.001 0.000 0.275 560 E C -1.000 175.706 176.600 0.175 0.000 0.918 560 E CA -0.771 55.694 56.400 0.107 0.000 0.764 560 E CB 1.987 31.675 29.700 -0.020 0.000 1.252 560 E HN 0.150 nan 8.360 nan 0.000 0.449 561 R N 1.015 121.595 120.500 0.134 0.000 2.459 561 R HA 0.429 4.769 4.340 -0.001 0.000 0.281 561 R C -0.459 175.816 176.300 -0.042 0.000 1.050 561 R CA -0.605 55.542 56.100 0.078 0.000 1.055 561 R CB 0.600 30.885 30.300 -0.024 0.000 1.045 561 R HN 0.521 nan 8.270 nan 0.000 0.495 562 H N 0.120 119.208 119.070 0.030 0.000 2.509 562 H HA 0.031 4.587 4.556 -0.001 0.000 0.359 562 H C 0.788 176.108 175.328 -0.013 0.000 1.253 562 H CA -0.243 55.817 56.048 0.019 0.000 1.373 562 H CB 0.992 30.770 29.762 0.026 0.000 1.555 562 H HN 0.632 nan 8.280 nan 0.000 0.586 563 E N 0.184 120.452 120.200 0.114 0.000 2.208 563 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 563 E C 0.101 176.720 176.600 0.032 0.000 0.988 563 E CA 0.395 56.817 56.400 0.036 0.000 0.828 563 E CB 0.264 29.979 29.700 0.025 0.000 0.763 563 E HN 0.328 nan 8.360 nan 0.000 0.478 564 S N 0.170 115.909 115.700 0.065 0.000 2.430 564 S HA 0.173 4.643 4.470 -0.001 0.000 0.289 564 S C 0.628 175.238 174.600 0.017 0.000 1.143 564 S CA -0.536 57.682 58.200 0.029 0.000 1.067 564 S CB 1.142 64.351 63.200 0.015 0.000 0.964 564 S HN 0.183 nan 8.310 nan 0.000 0.485 565 R N 3.462 123.955 120.500 -0.011 0.000 2.148 565 R HA -0.028 4.312 4.340 -0.001 0.000 0.227 565 R C 2.387 178.668 176.300 -0.031 0.000 1.103 565 R CA 1.166 57.241 56.100 -0.042 0.000 0.983 565 R CB -0.119 30.148 30.300 -0.055 0.000 0.874 565 R HN 0.777 nan 8.270 nan 0.000 0.451 566 R N 0.742 121.233 120.500 -0.015 0.000 2.091 566 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 566 R C 1.998 178.284 176.300 -0.023 0.000 1.136 566 R CA 1.742 57.836 56.100 -0.010 0.000 0.959 566 R CB -0.323 29.973 30.300 -0.007 0.000 0.856 566 R HN 0.241 nan 8.270 nan 0.000 0.437 567 I N 1.096 121.635 120.570 -0.052 0.000 2.286 567 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 567 I C 1.560 177.659 176.117 -0.029 0.000 1.115 567 I CA 1.289 62.523 61.300 -0.111 0.000 1.392 567 I CB -0.376 37.441 38.000 -0.305 0.000 1.065 567 I HN 0.219 nan 8.210 nan 0.000 0.418 568 D N 0.829 121.242 120.400 0.022 0.000 2.144 568 D HA -0.131 4.509 4.640 -0.001 0.000 0.200 568 D C 1.854 178.246 176.300 0.154 0.000 0.978 568 D CA 1.035 55.100 54.000 0.108 0.000 0.833 568 D CB -0.471 40.189 40.800 -0.232 0.000 0.961 568 D HN 0.298 nan 8.370 nan 0.000 0.470 569 N N 0.926 119.656 118.700 0.050 0.000 2.223 569 N HA -0.110 4.630 4.740 -0.001 0.000 0.185 569 N C 1.802 177.357 175.510 0.075 0.000 1.016 569 N CA 0.627 53.714 53.050 0.062 0.000 0.863 569 N CB -0.161 38.341 38.487 0.025 0.000 0.983 569 N HN 0.407 nan 8.380 nan 0.000 0.429 570 Q N 0.009 119.842 119.800 0.055 0.000 2.049 570 Q HA -0.048 4.291 4.340 -0.001 0.000 0.198 570 Q C 1.984 178.016 176.000 0.054 0.000 0.971 570 Q CA 0.675 56.501 55.803 0.039 0.000 0.833 570 Q CB -0.174 28.569 28.738 0.008 0.000 0.896 570 Q HN 0.198 nan 8.270 nan 0.000 0.434 571 L N 1.666 122.939 121.223 0.083 0.000 2.013 571 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 571 L C 2.427 179.344 176.870 0.078 0.000 1.073 571 L CA 2.074 56.965 54.840 0.086 0.000 0.753 571 L CB -0.473 41.671 42.059 0.141 0.000 0.890 571 L HN 0.148 nan 8.230 nan 0.000 0.432 572 R N -0.900 119.687 120.500 0.145 0.000 2.115 572 R HA -0.004 4.336 4.340 -0.001 0.000 0.226 572 R C 1.994 178.334 176.300 0.066 0.000 1.100 572 R CA 1.157 57.324 56.100 0.111 0.000 0.980 572 R CB -1.202 29.244 30.300 0.244 0.000 0.875 572 R HN 0.416 nan 8.270 nan 0.000 0.445 573 G N 0.745 109.585 108.800 0.067 0.000 2.653 573 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.212 573 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.212 573 G C 1.301 176.222 174.900 0.035 0.000 1.138 573 G CA -0.024 45.104 45.100 0.047 0.000 0.782 573 G HN 0.266 nan 8.290 nan 0.000 0.535 574 R N -0.162 120.356 120.500 0.030 0.000 2.235 574 R HA 0.142 4.482 4.340 -0.001 0.000 0.213 574 R C 1.312 177.626 176.300 0.023 0.000 1.059 574 R CA 0.371 56.485 56.100 0.023 0.000 0.997 574 R CB 0.042 30.350 30.300 0.014 0.000 0.884 574 R HN 0.278 nan 8.270 nan 0.000 0.462 575 S N -1.757 113.956 115.700 0.021 0.000 2.593 575 S HA 0.488 4.958 4.470 -0.001 0.000 0.297 575 S C 0.545 175.163 174.600 0.030 0.000 1.112 575 S CA -0.102 58.111 58.200 0.022 0.000 1.043 575 S CB 1.490 64.695 63.200 0.008 0.000 1.054 575 S HN 0.461 nan 8.310 nan 0.000 0.516 576 G N 2.969 111.788 108.800 0.032 0.000 2.143 576 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.248 576 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.248 576 G C 0.001 174.922 174.900 0.033 0.000 0.991 576 G CA 0.089 45.208 45.100 0.031 0.000 0.689 576 G HN 0.775 nan 8.290 nan 0.000 0.522 577 R N -0.187 120.337 120.500 0.040 0.000 2.537 577 R HA 0.328 4.667 4.340 -0.001 0.000 0.280 577 R C 0.943 177.271 176.300 0.046 0.000 1.058 577 R CA 0.194 56.320 56.100 0.043 0.000 1.057 577 R CB 0.190 30.519 30.300 0.048 0.000 0.973 577 R HN 0.422 nan 8.270 nan 0.000 0.438 578 Q N 0.662 120.484 119.800 0.036 0.000 2.451 578 Q HA -0.242 4.097 4.340 -0.001 0.000 0.305 578 Q C 0.753 176.765 176.000 0.021 0.000 1.345 578 Q CA 1.088 56.906 55.803 0.025 0.000 0.854 578 Q CB -1.523 27.239 28.738 0.041 0.000 1.162 578 Q HN 1.187 nan 8.270 nan 0.000 0.440 579 G N -1.409 107.400 108.800 0.015 0.000 2.179 579 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.260 579 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.260 579 G C -0.128 174.784 174.900 0.019 0.000 0.977 579 G CA -0.007 45.099 45.100 0.010 0.000 0.641 579 G HN 0.454 nan 8.290 nan 0.000 0.533 580 D N 1.132 121.551 120.400 0.032 0.000 2.399 580 D HA 0.533 5.173 4.640 -0.001 0.000 0.241 580 D C 1.089 177.392 176.300 0.005 0.000 1.133 580 D CA 0.763 54.777 54.000 0.023 0.000 0.890 580 D CB 0.949 41.773 40.800 0.039 0.000 1.201 580 D HN 0.742 nan 8.370 nan 0.000 0.432 581 A N 0.990 123.800 122.820 -0.017 0.000 2.466 581 A HA 0.549 4.869 4.320 -0.001 0.000 0.238 581 A C 0.706 178.289 177.584 -0.000 0.000 1.074 581 A CA 0.646 52.675 52.037 -0.014 0.000 0.774 581 A CB 0.258 19.237 19.000 -0.034 0.000 1.015 581 A HN 0.594 nan 8.150 nan 0.000 0.498 582 G N -0.840 107.970 108.800 0.016 0.000 2.451 582 G HA2 0.681 4.641 3.960 -0.001 0.000 0.292 582 G HA3 0.681 4.641 3.960 -0.001 0.000 0.292 582 G C -0.834 174.101 174.900 0.059 0.000 1.427 582 G CA 0.242 45.363 45.100 0.035 0.000 0.792 582 G HN 1.922 nan 8.290 nan 0.000 0.498 583 S N -1.520 114.236 115.700 0.093 0.000 2.625 583 S HA 0.906 5.375 4.470 -0.001 0.000 0.271 583 S C -0.587 174.062 174.600 0.082 0.000 1.161 583 S CA 0.039 58.321 58.200 0.136 0.000 0.820 583 S CB 1.560 64.900 63.200 0.233 0.000 1.137 583 S HN 2.301 nan 8.310 nan 0.000 0.470 584 S N 0.092 115.826 115.700 0.056 0.000 2.556 584 S HA 0.874 5.344 4.470 -0.001 0.000 0.271 584 S C -1.133 173.463 174.600 -0.007 0.000 1.135 584 S CA -0.863 57.273 58.200 -0.107 0.000 0.858 584 S CB 2.141 65.332 63.200 -0.014 0.000 1.114 584 S HN 1.149 nan 8.310 nan 0.000 0.468 585 R N 0.848 121.268 120.500 -0.133 0.000 2.535 585 R HA 0.633 4.973 4.340 -0.001 0.000 0.274 585 R C -2.317 173.904 176.300 -0.131 0.000 1.090 585 R CA -0.477 55.621 56.100 -0.004 0.000 0.930 585 R CB 0.818 31.193 30.300 0.126 0.000 1.223 585 R HN 0.687 nan 8.270 nan 0.000 0.441 586 F N 3.973 123.899 119.950 -0.040 0.000 2.443 586 F HA 0.494 5.021 4.527 -0.000 0.000 0.335 586 F C -0.361 175.367 175.800 -0.120 0.000 1.104 586 F CA -0.545 57.469 58.000 0.023 0.000 1.013 586 F CB 1.402 40.421 39.000 0.032 0.000 1.136 586 F HN 0.381 nan 8.300 nan 0.000 0.470 587 Y N 2.925 123.354 120.300 0.216 0.000 2.387 587 Y HA 0.676 5.225 4.550 -0.000 0.000 0.336 587 Y C -0.601 175.411 175.900 0.185 0.000 1.067 587 Y CA -0.919 57.301 58.100 0.200 0.000 1.114 587 Y CB 1.455 39.999 38.460 0.140 0.000 1.208 587 Y HN 0.322 nan 8.280 nan 0.000 0.458 588 L N 2.293 123.698 121.223 0.303 0.000 2.371 588 L HA 0.690 5.029 4.340 -0.001 0.000 0.262 588 L C -0.381 176.630 176.870 0.235 0.000 1.006 588 L CA -0.488 54.479 54.840 0.212 0.000 0.818 588 L CB 2.445 44.581 42.059 0.128 0.000 1.354 588 L HN 0.689 nan 8.230 nan 0.000 0.415 589 S N 0.723 116.528 115.700 0.174 0.000 2.671 589 S HA 0.550 5.019 4.470 -0.001 0.000 0.299 589 S C 0.577 175.241 174.600 0.107 0.000 1.116 589 S CA -0.820 57.475 58.200 0.160 0.000 0.912 589 S CB 1.428 64.720 63.200 0.153 0.000 1.130 589 S HN 0.480 nan 8.310 nan 0.000 0.501 590 M N 0.997 120.651 119.600 0.089 0.000 2.460 590 M HA 0.053 4.532 4.480 -0.001 0.000 0.263 590 M C 1.392 177.733 176.300 0.067 0.000 1.071 590 M CA 1.235 56.576 55.300 0.068 0.000 1.096 590 M CB -1.719 30.911 32.600 0.051 0.000 1.408 590 M HN 0.813 nan 8.290 nan 0.000 0.463 591 E N 0.125 120.365 120.200 0.066 0.000 2.371 591 E HA -0.037 4.313 4.350 -0.001 0.000 0.194 591 E C -0.175 176.456 176.600 0.052 0.000 1.012 591 E CA -0.097 56.336 56.400 0.054 0.000 0.860 591 E CB 0.061 29.788 29.700 0.045 0.000 0.811 591 E HN 0.424 nan 8.360 nan 0.000 0.502 592 D N 0.778 121.216 120.400 0.063 0.000 2.472 592 D HA -0.005 4.634 4.640 -0.001 0.000 0.237 592 D C 0.937 177.268 176.300 0.051 0.000 1.141 592 D CA 0.268 54.301 54.000 0.055 0.000 0.875 592 D CB 0.957 41.799 40.800 0.070 0.000 1.192 592 D HN 0.053 nan 8.370 nan 0.000 0.450 593 A N 2.680 125.519 122.820 0.030 0.000 1.908 593 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 593 A C 1.997 179.596 177.584 0.025 0.000 1.181 593 A CA 1.040 53.092 52.037 0.024 0.000 0.627 593 A CB -0.707 18.298 19.000 0.008 0.000 0.818 593 A HN 0.649 nan 8.150 nan 0.000 0.445 594 L N -0.982 120.253 121.223 0.020 0.000 2.549 594 L HA -0.080 4.260 4.340 -0.001 0.000 0.230 594 L C 1.842 178.739 176.870 0.045 0.000 1.162 594 L CA 0.878 55.722 54.840 0.008 0.000 0.834 594 L CB -0.155 41.904 42.059 -0.001 0.000 0.947 594 L HN 0.303 nan 8.230 nan 0.000 0.452 595 M N -1.024 118.646 119.600 0.116 0.000 2.619 595 M HA -0.041 4.439 4.480 -0.001 0.000 0.251 595 M C 1.846 178.284 176.300 0.229 0.000 1.106 595 M CA 1.034 56.484 55.300 0.249 0.000 1.086 595 M CB -0.557 32.159 32.600 0.194 0.000 1.465 595 M HN 0.330 nan 8.290 nan 0.000 0.506 596 R N 0.519 121.075 120.500 0.093 0.000 2.200 596 R HA 0.079 4.419 4.340 -0.001 0.000 0.208 596 R C 2.024 178.325 176.300 0.001 0.000 1.033 596 R CA 0.572 56.709 56.100 0.061 0.000 1.000 596 R CB -0.257 30.065 30.300 0.037 0.000 0.906 596 R HN 0.463 nan 8.270 nan 0.000 0.462 597 I N -1.787 118.719 120.570 -0.106 0.000 3.010 597 I HA -0.118 4.052 4.170 -0.001 0.000 0.271 597 I C 0.276 176.182 176.117 -0.352 0.000 1.293 597 I CA 1.191 62.350 61.300 -0.236 0.000 1.452 597 I CB -0.285 37.518 38.000 -0.328 0.000 1.082 597 I HN -0.090 nan 8.210 nan 0.000 0.484 598 F N 2.275 122.240 119.950 0.024 0.000 2.701 598 F HA 0.515 5.041 4.527 -0.001 0.000 0.295 598 F C 1.904 177.718 175.800 0.024 0.000 1.165 598 F CA 0.037 58.054 58.000 0.028 0.000 1.399 598 F CB -0.676 38.345 39.000 0.035 0.000 0.996 598 F HN 0.193 nan 8.300 nan 0.000 0.513 599 A N 0.179 123.058 122.820 0.099 0.000 2.557 599 A HA -0.252 4.067 4.320 -0.001 0.000 0.334 599 A C 0.987 178.622 177.584 0.085 0.000 1.512 599 A CA 1.459 53.538 52.037 0.071 0.000 1.099 599 A CB -1.454 17.572 19.000 0.044 0.000 0.893 599 A HN 0.371 nan 8.150 nan 0.000 0.415 600 S N -1.719 114.051 115.700 0.117 0.000 2.652 600 S HA 0.457 4.926 4.470 -0.001 0.000 0.273 600 S C 0.218 174.870 174.600 0.086 0.000 1.172 600 S CA -0.140 58.114 58.200 0.089 0.000 1.009 600 S CB 0.909 64.157 63.200 0.080 0.000 1.094 600 S HN 0.266 nan 8.310 nan 0.000 0.471 601 D N 3.287 123.724 120.400 0.061 0.000 2.120 601 D HA -0.056 4.583 4.640 -0.001 0.000 0.216 601 D C 2.037 178.359 176.300 0.037 0.000 0.999 601 D CA 1.116 55.146 54.000 0.050 0.000 0.903 601 D CB -0.227 40.595 40.800 0.037 0.000 1.104 601 D HN 0.622 nan 8.370 nan 0.000 0.466 602 R N 0.022 120.537 120.500 0.025 0.000 2.311 602 R HA -0.252 4.088 4.340 -0.001 0.000 0.255 602 R C 2.240 178.543 176.300 0.005 0.000 1.101 602 R CA 1.874 57.983 56.100 0.014 0.000 0.948 602 R CB -0.993 29.314 30.300 0.012 0.000 0.943 602 R HN 0.129 nan 8.270 nan 0.000 0.448 603 V N -0.093 119.829 119.914 0.013 0.000 2.223 603 V HA -0.269 3.851 4.120 -0.001 0.000 0.244 603 V C 2.333 178.399 176.094 -0.047 0.000 1.045 603 V CA 2.156 64.452 62.300 -0.007 0.000 1.000 603 V CB -0.623 31.213 31.823 0.021 0.000 0.635 603 V HN 0.378 nan 8.190 nan 0.000 0.445 604 S N 0.672 116.351 115.700 -0.036 0.000 2.393 604 S HA -0.268 4.201 4.470 -0.001 0.000 0.235 604 S C 1.880 176.458 174.600 -0.038 0.000 1.061 604 S CA 1.875 60.037 58.200 -0.063 0.000 1.129 604 S CB -1.008 62.228 63.200 0.061 0.000 1.011 604 S HN 0.748 nan 8.310 nan 0.000 0.436 605 G N 0.121 108.919 108.800 -0.003 0.000 2.708 605 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.210 605 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.210 605 G C 1.151 176.048 174.900 -0.006 0.000 1.141 605 G CA 0.650 45.751 45.100 0.002 0.000 0.788 605 G HN 0.363 nan 8.290 nan 0.000 0.531 606 M N 0.446 120.036 119.600 -0.017 0.000 2.156 606 M HA 0.182 4.661 4.480 -0.001 0.000 0.264 606 M C 2.410 178.702 176.300 -0.013 0.000 1.067 606 M CA 1.107 56.396 55.300 -0.018 0.000 1.131 606 M CB -0.440 32.143 32.600 -0.029 0.000 1.368 606 M HN 0.162 nan 8.290 nan 0.000 0.416 607 M N -0.455 119.135 119.600 -0.016 0.000 2.192 607 M HA -0.303 4.177 4.480 -0.001 0.000 0.256 607 M C 1.882 178.177 176.300 -0.009 0.000 1.076 607 M CA 1.724 57.019 55.300 -0.009 0.000 1.075 607 M CB -0.872 31.703 32.600 -0.042 0.000 1.368 607 M HN 0.301 nan 8.290 nan 0.000 0.406 608 R N -0.113 120.385 120.500 -0.005 0.000 2.341 608 R HA -0.078 4.262 4.340 -0.001 0.000 0.213 608 R C 1.895 178.197 176.300 0.004 0.000 1.082 608 R CA 0.515 56.617 56.100 0.004 0.000 1.017 608 R CB -0.151 30.155 30.300 0.011 0.000 0.860 608 R HN 0.247 nan 8.270 nan 0.000 0.473 609 K N 0.222 120.622 120.400 -0.001 0.000 2.305 609 K HA 0.009 4.329 4.320 -0.001 0.000 0.199 609 K C 1.684 178.285 176.600 0.000 0.000 1.047 609 K CA 0.473 56.759 56.287 -0.002 0.000 0.976 609 K CB 0.129 32.623 32.500 -0.009 0.000 0.765 609 K HN 0.070 nan 8.250 nan 0.000 0.474 610 L N 0.013 121.237 121.223 0.000 0.000 2.042 610 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 610 L C 1.833 178.715 176.870 0.020 0.000 1.076 610 L CA 2.215 57.062 54.840 0.011 0.000 0.749 610 L CB -1.171 40.894 42.059 0.009 0.000 0.893 610 L HN 0.475 nan 8.230 nan 0.000 0.432 611 G N -3.423 105.385 108.800 0.013 0.000 2.284 611 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.230 611 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.230 611 G C 0.866 175.781 174.900 0.025 0.000 1.021 611 G CA 0.828 45.940 45.100 0.020 0.000 0.619 611 G HN 0.182 nan 8.290 nan 0.000 0.510 612 M N -1.803 117.806 119.600 0.014 0.000 2.813 612 M HA -0.224 4.255 4.480 -0.001 0.000 0.143 612 M C 0.642 176.965 176.300 0.039 0.000 0.703 612 M CA 2.897 58.197 55.300 0.001 0.000 0.548 612 M CB -1.400 31.192 32.600 -0.012 0.000 2.012 612 M HN 1.037 nan 8.290 nan 0.000 0.256 613 K N -0.545 119.892 120.400 0.062 0.000 6.536 613 K HA -0.145 4.175 4.320 -0.001 0.000 0.703 613 K C -2.369 174.282 176.600 0.086 0.000 1.892 613 K CA 0.337 56.663 56.287 0.064 0.000 1.651 613 K CB -0.571 31.956 32.500 0.045 0.000 1.852 613 K HN 0.309 nan 8.250 nan 0.000 0.324 614 P HA -0.259 nan 4.420 nan 0.000 0.231 614 P C 0.720 178.072 177.300 0.086 0.000 1.152 614 P CA 1.978 65.133 63.100 0.091 0.000 0.783 614 P CB -0.008 31.725 31.700 0.055 0.000 0.825 615 G N -2.084 106.773 108.800 0.094 0.000 4.187 615 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.174 615 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.174 615 G C 0.102 175.042 174.900 0.066 0.000 0.947 615 G CA -0.397 44.748 45.100 0.076 0.000 0.940 615 G HN 0.279 nan 8.290 nan 0.000 0.410 616 E N 1.719 121.951 120.200 0.053 0.000 2.452 616 E HA 0.529 4.879 4.350 -0.001 0.000 0.293 616 E C 0.486 177.100 176.600 0.023 0.000 1.535 616 E CA -0.134 56.286 56.400 0.033 0.000 1.816 616 E CB 0.691 30.408 29.700 0.028 0.000 1.494 616 E HN 0.433 nan 8.360 nan 0.000 0.464 617 A N 1.037 123.872 122.820 0.025 0.000 2.366 617 A HA 0.271 4.590 4.320 -0.001 0.000 0.272 617 A C 0.684 178.235 177.584 -0.054 0.000 1.135 617 A CA -0.309 51.718 52.037 -0.016 0.000 0.804 617 A CB 0.337 19.344 19.000 0.011 0.000 1.064 617 A HN 0.458 nan 8.150 nan 0.000 0.499 618 I N 0.485 120.996 120.570 -0.098 0.000 2.512 618 I HA 0.100 4.269 4.170 -0.001 0.000 0.247 618 I C -0.033 175.934 176.117 -0.249 0.000 1.094 618 I CA 0.679 61.880 61.300 -0.165 0.000 1.427 618 I CB 0.054 37.952 38.000 -0.170 0.000 1.149 618 I HN 0.800 nan 8.210 nan 0.000 0.438 619 E N 0.619 120.628 120.200 -0.318 0.000 7.515 619 E HA -0.119 4.231 4.350 -0.001 0.000 0.265 619 E C -1.129 175.150 176.600 -0.534 0.000 0.812 619 E CA 0.013 56.230 56.400 -0.306 0.000 1.543 619 E CB -0.850 28.734 29.700 -0.192 0.000 0.907 619 E HN 0.442 nan 8.360 nan 0.000 0.262 620 H N 3.116 122.102 119.070 -0.141 0.000 2.991 620 H HA 0.180 4.736 4.556 -0.001 0.000 0.304 620 H C -1.700 173.466 175.328 -0.270 0.000 1.040 620 H CA -1.787 54.175 56.048 -0.144 0.000 1.410 620 H CB 1.005 30.658 29.762 -0.183 0.000 1.529 620 H HN 0.173 nan 8.280 nan 0.000 0.509 621 P HA -0.284 nan 4.420 nan 0.000 0.219 621 P C 1.607 178.914 177.300 0.012 0.000 1.151 621 P CA 1.495 64.587 63.100 -0.013 0.000 0.850 621 P CB 0.071 31.808 31.700 0.061 0.000 0.784 622 W N -0.028 121.304 121.300 0.053 0.000 2.392 622 W HA -0.069 4.591 4.660 -0.000 0.000 0.279 622 W C 1.156 177.687 176.519 0.021 0.000 1.225 622 W CA 0.410 57.772 57.345 0.028 0.000 1.233 622 W CB -1.542 27.926 29.460 0.013 0.000 1.122 622 W HN -0.224 nan 8.180 nan 0.000 0.561 623 V N 2.256 121.606 119.914 -0.939 0.000 2.379 623 V HA -0.270 3.850 4.120 -0.001 0.000 0.245 623 V C 2.583 178.487 176.094 -0.317 0.000 1.044 623 V CA 2.620 64.366 62.300 -0.923 0.000 1.036 623 V CB -1.400 29.852 31.823 -0.950 0.000 0.664 623 V HN 0.149 nan 8.190 nan 0.000 0.453 624 T N 0.220 114.646 114.554 -0.213 0.000 2.635 624 T HA -0.261 4.089 4.350 -0.001 0.000 0.267 624 T C 1.932 176.611 174.700 -0.036 0.000 1.040 624 T CA 1.901 63.942 62.100 -0.098 0.000 1.156 624 T CB -0.266 68.561 68.868 -0.067 0.000 0.863 624 T HN 0.484 nan 8.240 nan 0.000 0.430 625 K N 1.095 121.498 120.400 0.005 0.000 2.026 625 K HA 0.039 4.359 4.320 -0.001 0.000 0.208 625 K C 2.740 179.400 176.600 0.101 0.000 1.048 625 K CA 1.172 57.494 56.287 0.058 0.000 0.929 625 K CB -0.363 32.195 32.500 0.096 0.000 0.713 625 K HN 0.293 nan 8.250 nan 0.000 0.439 626 A N 1.747 124.661 122.820 0.158 0.000 1.908 626 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 626 A C 2.156 179.901 177.584 0.269 0.000 1.181 626 A CA 1.415 53.604 52.037 0.252 0.000 0.627 626 A CB -0.672 18.523 19.000 0.326 0.000 0.818 626 A HN 0.190 nan 8.150 nan 0.000 0.445 627 I N -0.442 120.244 120.570 0.193 0.000 2.179 627 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 627 I C 3.003 179.137 176.117 0.028 0.000 1.088 627 I CA 1.091 62.486 61.300 0.157 0.000 1.357 627 I CB -0.401 37.645 38.000 0.076 0.000 1.051 627 I HN 0.376 nan 8.210 nan 0.000 0.409 628 A N 0.798 123.624 122.820 0.009 0.000 1.902 628 A HA -0.269 4.051 4.320 -0.001 0.000 0.217 628 A C 2.192 179.772 177.584 -0.006 0.000 1.181 628 A CA 2.063 54.089 52.037 -0.019 0.000 0.623 628 A CB -0.961 18.029 19.000 -0.017 0.000 0.818 628 A HN 0.527 nan 8.150 nan 0.000 0.443 629 N N 0.497 119.215 118.700 0.029 0.000 2.104 629 N HA -0.178 4.561 4.740 -0.001 0.000 0.190 629 N C 1.901 177.407 175.510 -0.006 0.000 1.024 629 N CA 1.721 54.787 53.050 0.026 0.000 0.853 629 N CB -0.248 38.279 38.487 0.067 0.000 1.008 629 N HN 0.380 nan 8.380 nan 0.000 0.424 630 A N 0.864 123.667 122.820 -0.029 0.000 1.930 630 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 630 A C 2.192 179.684 177.584 -0.153 0.000 1.175 630 A CA 1.098 53.036 52.037 -0.165 0.000 0.627 630 A CB -0.535 18.139 19.000 -0.543 0.000 0.815 630 A HN 0.477 nan 8.150 nan 0.000 0.443 631 Q N -0.940 118.789 119.800 -0.119 0.000 2.084 631 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 631 Q C 2.361 178.337 176.000 -0.041 0.000 0.978 631 Q CA 1.671 57.427 55.803 -0.078 0.000 0.844 631 Q CB -0.209 28.490 28.738 -0.065 0.000 0.898 631 Q HN 0.691 nan 8.270 nan 0.000 0.426 632 R N 1.206 121.683 120.500 -0.039 0.000 2.083 632 R HA -0.182 4.158 4.340 -0.001 0.000 0.237 632 R C 2.007 178.282 176.300 -0.043 0.000 1.137 632 R CA 1.703 57.780 56.100 -0.038 0.000 0.951 632 R CB 0.063 30.332 30.300 -0.051 0.000 0.851 632 R HN 0.055 nan 8.270 nan 0.000 0.434 633 K N -0.471 119.903 120.400 -0.044 0.000 2.057 633 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 633 K C 1.974 178.569 176.600 -0.008 0.000 1.049 633 K CA 1.593 57.861 56.287 -0.032 0.000 0.931 633 K CB -0.040 32.441 32.500 -0.033 0.000 0.714 633 K HN 0.042 nan 8.250 nan 0.000 0.440 634 V N 1.634 121.536 119.914 -0.020 0.000 2.295 634 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 634 V C 2.251 178.376 176.094 0.052 0.000 1.049 634 V CA 1.684 63.985 62.300 0.001 0.000 1.024 634 V CB -0.342 31.466 31.823 -0.025 0.000 0.648 634 V HN 0.340 nan 8.190 nan 0.000 0.447 635 E N -0.089 120.153 120.200 0.070 0.000 2.058 635 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 635 E C 2.529 179.290 176.600 0.267 0.000 0.997 635 E CA 1.745 58.236 56.400 0.153 0.000 0.801 635 E CB -0.289 29.516 29.700 0.176 0.000 0.746 635 E HN 0.512 nan 8.360 nan 0.000 0.450 636 S N 0.102 115.919 115.700 0.195 0.000 2.353 636 S HA -0.175 4.294 4.470 -0.001 0.000 0.222 636 S C 1.918 176.642 174.600 0.206 0.000 1.035 636 S CA 1.128 59.452 58.200 0.206 0.000 1.025 636 S CB -0.071 63.125 63.200 -0.006 0.000 0.902 636 S HN 0.208 nan 8.310 nan 0.000 0.440 637 R N 0.853 121.421 120.500 0.113 0.000 2.097 637 R HA -0.122 4.217 4.340 -0.001 0.000 0.236 637 R C 2.195 178.555 176.300 0.100 0.000 1.135 637 R CA 2.109 58.258 56.100 0.082 0.000 0.934 637 R CB -0.674 29.654 30.300 0.046 0.000 0.846 637 R HN 0.539 nan 8.270 nan 0.000 0.431 638 N N -0.489 118.280 118.700 0.116 0.000 2.094 638 N HA -0.222 4.518 4.740 -0.001 0.000 0.191 638 N C 1.691 177.288 175.510 0.144 0.000 1.023 638 N CA 1.249 54.364 53.050 0.109 0.000 0.857 638 N CB -0.237 38.315 38.487 0.108 0.000 1.013 638 N HN 0.093 nan 8.380 nan 0.000 0.426 639 F N 2.311 122.301 119.950 0.067 0.000 2.146 639 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 639 F C 1.791 177.627 175.800 0.061 0.000 1.096 639 F CA 1.235 59.267 58.000 0.053 0.000 1.275 639 F CB -0.363 38.702 39.000 0.108 0.000 1.008 639 F HN -0.067 nan 8.300 nan 0.000 0.480 640 D N 0.594 121.002 120.400 0.014 0.000 2.133 640 D HA -0.231 4.409 4.640 -0.001 0.000 0.195 640 D C 2.475 178.688 176.300 -0.146 0.000 0.997 640 D CA 1.841 55.786 54.000 -0.091 0.000 0.840 640 D CB -0.487 40.324 40.800 0.018 0.000 0.947 640 D HN 0.345 nan 8.370 nan 0.000 0.452 641 I N 0.174 120.695 120.570 -0.082 0.000 2.226 641 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 641 I C 2.570 178.615 176.117 -0.120 0.000 1.100 641 I CA 0.928 62.184 61.300 -0.073 0.000 1.374 641 I CB -0.103 37.880 38.000 -0.028 0.000 1.057 641 I HN -0.070 nan 8.210 nan 0.000 0.413 642 R N 1.254 121.649 120.500 -0.173 0.000 2.092 642 R HA -0.215 4.125 4.340 -0.001 0.000 0.231 642 R C 2.319 178.445 176.300 -0.290 0.000 1.119 642 R CA 1.597 57.583 56.100 -0.189 0.000 0.970 642 R CB -0.099 30.131 30.300 -0.116 0.000 0.864 642 R HN 0.212 nan 8.270 nan 0.000 0.440 643 K N -0.270 119.813 120.400 -0.528 0.000 2.217 643 K HA -0.124 4.196 4.320 -0.001 0.000 0.202 643 K C 1.815 178.296 176.600 -0.199 0.000 1.051 643 K CA 1.040 57.047 56.287 -0.467 0.000 0.952 643 K CB 0.206 32.291 32.500 -0.692 0.000 0.736 643 K HN 0.079 nan 8.250 nan 0.000 0.453 644 Q N 0.773 120.492 119.800 -0.135 0.000 2.167 644 Q HA -0.054 4.285 4.340 -0.001 0.000 0.202 644 Q C 2.081 178.131 176.000 0.084 0.000 0.970 644 Q CA 1.141 56.937 55.803 -0.011 0.000 0.855 644 Q CB -0.085 28.657 28.738 0.007 0.000 0.911 644 Q HN 0.397 nan 8.270 nan 0.000 0.438 645 L N -0.276 120.949 121.223 0.002 0.000 2.072 645 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 645 L C 2.290 179.198 176.870 0.063 0.000 1.079 645 L CA 0.641 55.495 54.840 0.022 0.000 0.752 645 L CB -0.491 41.543 42.059 -0.042 0.000 0.906 645 L HN 0.159 nan 8.230 nan 0.000 0.436 646 L N -0.338 120.882 121.223 -0.006 0.000 2.127 646 L HA -0.223 4.116 4.340 -0.001 0.000 0.211 646 L C 2.442 179.319 176.870 0.010 0.000 1.089 646 L CA 1.322 56.156 54.840 -0.009 0.000 0.757 646 L CB -0.519 41.503 42.059 -0.061 0.000 0.899 646 L HN 0.302 nan 8.230 nan 0.000 0.434 647 E N -1.030 119.173 120.200 0.004 0.000 2.208 647 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 647 E C 2.056 178.612 176.600 -0.072 0.000 0.988 647 E CA 0.958 57.331 56.400 -0.044 0.000 0.828 647 E CB -0.078 29.568 29.700 -0.089 0.000 0.763 647 E HN 0.477 nan 8.360 nan 0.000 0.478 648 Y N 1.387 121.665 120.300 -0.036 0.000 2.200 648 Y HA -0.185 4.364 4.550 -0.001 0.000 0.290 648 Y C 2.017 177.943 175.900 0.044 0.000 1.137 648 Y CA 1.214 59.301 58.100 -0.022 0.000 1.163 648 Y CB -0.102 38.248 38.460 -0.183 0.000 0.988 648 Y HN -0.011 nan 8.280 nan 0.000 0.518 649 D N -0.166 120.326 120.400 0.153 0.000 2.178 649 D HA -0.151 4.489 4.640 -0.001 0.000 0.201 649 D C 1.498 177.844 176.300 0.076 0.000 0.980 649 D CA 1.311 55.371 54.000 0.101 0.000 0.842 649 D CB -0.322 40.514 40.800 0.060 0.000 0.948 649 D HN 0.326 nan 8.370 nan 0.000 0.472 650 D N -0.471 119.957 120.400 0.048 0.000 2.219 650 D HA -0.080 4.560 4.640 -0.001 0.000 0.205 650 D C 2.182 178.495 176.300 0.022 0.000 0.970 650 D CA 0.229 54.241 54.000 0.019 0.000 0.851 650 D CB 0.002 40.797 40.800 -0.008 0.000 0.943 650 D HN 0.092 nan 8.370 nan 0.000 0.488 651 V N 1.282 121.231 119.914 0.059 0.000 2.261 651 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 651 V C 2.550 178.666 176.094 0.036 0.000 1.047 651 V CA 1.845 64.172 62.300 0.046 0.000 1.015 651 V CB -0.895 31.000 31.823 0.120 0.000 0.642 651 V HN 0.189 nan 8.190 nan 0.000 0.446 652 A N 0.600 123.478 122.820 0.097 0.000 1.902 652 A HA -0.300 4.020 4.320 -0.001 0.000 0.217 652 A C 2.089 179.719 177.584 0.076 0.000 1.181 652 A CA 2.374 54.473 52.037 0.105 0.000 0.623 652 A CB -0.931 18.135 19.000 0.110 0.000 0.818 652 A HN 0.621 nan 8.150 nan 0.000 0.443 653 N N 0.318 119.044 118.700 0.043 0.000 2.069 653 N HA -0.180 4.559 4.740 -0.001 0.000 0.191 653 N C 1.188 176.678 175.510 -0.034 0.000 1.031 653 N CA 2.133 55.191 53.050 0.012 0.000 0.852 653 N CB -0.337 38.156 38.487 0.009 0.000 1.018 653 N HN 0.409 nan 8.380 nan 0.000 0.423 654 D N -0.094 120.273 120.400 -0.055 0.000 2.144 654 D HA -0.103 4.537 4.640 -0.001 0.000 0.200 654 D C 1.869 178.046 176.300 -0.205 0.000 0.978 654 D CA 0.742 54.680 54.000 -0.103 0.000 0.833 654 D CB -0.235 40.505 40.800 -0.101 0.000 0.961 654 D HN 0.517 nan 8.370 nan 0.000 0.470 655 Q N 0.056 119.706 119.800 -0.250 0.000 2.079 655 Q HA -0.082 4.257 4.340 -0.001 0.000 0.200 655 Q C 2.269 178.127 176.000 -0.237 0.000 0.974 655 Q CA 0.718 56.239 55.803 -0.470 0.000 0.840 655 Q CB 0.075 28.657 28.738 -0.261 0.000 0.898 655 Q HN 0.145 nan 8.270 nan 0.000 0.430 656 R N 1.032 121.473 120.500 -0.098 0.000 2.092 656 R HA -0.130 4.210 4.340 -0.001 0.000 0.231 656 R C 2.189 178.242 176.300 -0.413 0.000 1.119 656 R CA 1.252 57.145 56.100 -0.345 0.000 0.970 656 R CB -0.082 30.119 30.300 -0.166 0.000 0.864 656 R HN 0.098 nan 8.270 nan 0.000 0.440 657 R N 0.111 120.493 120.500 -0.197 0.000 2.081 657 R HA -0.102 4.237 4.340 -0.001 0.000 0.235 657 R C 2.139 178.395 176.300 -0.074 0.000 1.131 657 R CA 1.596 57.639 56.100 -0.094 0.000 0.960 657 R CB -0.307 29.957 30.300 -0.060 0.000 0.856 657 R HN 0.265 nan 8.270 nan 0.000 0.436 658 A N 0.938 123.696 122.820 -0.103 0.000 1.858 658 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 658 A C 2.082 179.655 177.584 -0.018 0.000 1.190 658 A CA 1.526 53.542 52.037 -0.035 0.000 0.617 658 A CB -0.607 18.392 19.000 -0.002 0.000 0.827 658 A HN 0.404 nan 8.150 nan 0.000 0.443 659 I N -1.913 118.604 120.570 -0.087 0.000 2.315 659 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 659 I C 2.085 178.145 176.117 -0.096 0.000 1.117 659 I CA 1.151 62.337 61.300 -0.190 0.000 1.404 659 I CB -0.349 37.318 38.000 -0.555 0.000 1.071 659 I HN 0.402 nan 8.210 nan 0.000 0.419 660 Y N -0.449 119.672 120.300 -0.299 0.000 2.314 660 Y HA -0.100 4.449 4.550 -0.001 0.000 0.293 660 Y C 2.923 178.736 175.900 -0.145 0.000 1.129 660 Y CA 0.971 58.938 58.100 -0.222 0.000 1.201 660 Y CB -1.277 37.092 38.460 -0.151 0.000 0.999 660 Y HN 0.213 nan 8.280 nan 0.000 0.541 661 S N -0.368 115.361 115.700 0.049 0.000 2.355 661 S HA -0.258 4.211 4.470 -0.001 0.000 0.222 661 S C 2.156 176.734 174.600 -0.037 0.000 1.031 661 S CA 1.603 59.805 58.200 0.003 0.000 0.993 661 S CB -0.280 62.920 63.200 0.001 0.000 0.859 661 S HN 0.606 nan 8.310 nan 0.000 0.453 662 Q N 0.660 120.432 119.800 -0.046 0.000 2.045 662 Q HA -0.215 4.125 4.340 -0.001 0.000 0.206 662 Q C 2.403 178.342 176.000 -0.101 0.000 0.991 662 Q CA 1.844 57.604 55.803 -0.071 0.000 0.851 662 Q CB -0.289 28.402 28.738 -0.077 0.000 0.911 662 Q HN 0.545 nan 8.270 nan 0.000 0.418 663 R N -0.251 120.174 120.500 -0.126 0.000 2.105 663 R HA -0.140 4.200 4.340 -0.001 0.000 0.239 663 R C 1.792 177.979 176.300 -0.189 0.000 1.135 663 R CA 1.667 57.657 56.100 -0.184 0.000 0.967 663 R CB -0.065 30.088 30.300 -0.246 0.000 0.861 663 R HN 0.383 nan 8.270 nan 0.000 0.442 664 N N 0.515 119.121 118.700 -0.158 0.000 2.354 664 N HA -0.115 4.625 4.740 -0.001 0.000 0.179 664 N C 1.308 176.753 175.510 -0.108 0.000 1.021 664 N CA 0.961 53.924 53.050 -0.144 0.000 0.887 664 N CB 0.044 38.461 38.487 -0.117 0.000 0.974 664 N HN 0.397 nan 8.380 nan 0.000 0.437 665 E N 0.835 120.981 120.200 -0.090 0.000 2.051 665 E HA -0.099 4.251 4.350 -0.001 0.000 0.192 665 E C 2.028 178.576 176.600 -0.086 0.000 0.991 665 E CA 0.659 57.014 56.400 -0.075 0.000 0.799 665 E CB -0.045 29.618 29.700 -0.062 0.000 0.748 665 E HN 0.281 nan 8.360 nan 0.000 0.449 666 L N 0.412 121.571 121.223 -0.106 0.000 2.017 666 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 666 L C 2.566 179.361 176.870 -0.126 0.000 1.073 666 L CA 0.544 55.314 54.840 -0.117 0.000 0.745 666 L CB -0.339 41.636 42.059 -0.140 0.000 0.894 666 L HN 0.188 nan 8.230 nan 0.000 0.432 667 L N -0.189 120.946 121.223 -0.147 0.000 2.079 667 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 667 L C 1.866 178.678 176.870 -0.096 0.000 1.081 667 L CA 1.837 56.591 54.840 -0.142 0.000 0.752 667 L CB -0.609 41.344 42.059 -0.176 0.000 0.896 667 L HN 0.241 nan 8.230 nan 0.000 0.433 668 D N -1.333 119.016 120.400 -0.085 0.000 2.355 668 D HA 0.044 4.684 4.640 -0.001 0.000 0.218 668 D C 0.255 176.523 176.300 -0.052 0.000 1.004 668 D CA 0.304 54.268 54.000 -0.061 0.000 0.880 668 D CB 0.450 41.217 40.800 -0.055 0.000 0.911 668 D HN 0.117 nan 8.370 nan 0.000 0.528 669 V N 0.590 120.466 119.914 -0.064 0.000 2.459 669 V HA 0.102 4.221 4.120 -0.001 0.000 0.295 669 V C 0.874 176.918 176.094 -0.082 0.000 1.029 669 V CA -0.240 62.023 62.300 -0.062 0.000 0.874 669 V CB 2.041 33.827 31.823 -0.062 0.000 0.985 669 V HN -0.100 nan 8.190 nan 0.000 0.438 670 S N 3.655 119.308 115.700 -0.079 0.000 2.528 670 S HA 0.125 4.595 4.470 -0.001 0.000 0.219 670 S C 0.267 174.745 174.600 -0.204 0.000 0.985 670 S CA 0.141 58.260 58.200 -0.135 0.000 0.914 670 S CB -0.060 63.111 63.200 -0.048 0.000 0.776 670 S HN 0.845 nan 8.310 nan 0.000 0.526 671 D N 0.052 120.381 120.400 -0.119 0.000 2.855 671 D HA 0.303 4.943 4.640 -0.001 0.000 0.241 671 D C -0.529 175.734 176.300 -0.063 0.000 1.277 671 D CA -0.329 53.617 54.000 -0.091 0.000 0.918 671 D CB 2.140 42.912 40.800 -0.046 0.000 1.462 671 D HN -0.116 nan 8.370 nan 0.000 0.559 672 V N 2.929 122.810 119.914 -0.055 0.000 3.477 672 V HA -0.021 4.098 4.120 -0.001 0.000 0.297 672 V C 1.882 177.965 176.094 -0.019 0.000 1.433 672 V CA 0.387 62.660 62.300 -0.046 0.000 1.052 672 V CB 0.409 32.194 31.823 -0.064 0.000 0.895 672 V HN 0.574 nan 8.190 nan 0.000 0.438 673 S N 0.499 116.201 115.700 0.003 0.000 2.381 673 S HA -0.355 4.115 4.470 -0.001 0.000 0.230 673 S C 1.867 176.473 174.600 0.011 0.000 1.052 673 S CA 2.441 60.657 58.200 0.026 0.000 1.068 673 S CB -0.215 63.005 63.200 0.034 0.000 0.918 673 S HN 0.765 nan 8.310 nan 0.000 0.448 674 E N 0.159 120.359 120.200 -0.001 0.000 2.110 674 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 674 E C 1.877 178.470 176.600 -0.013 0.000 0.988 674 E CA 1.404 57.801 56.400 -0.005 0.000 0.804 674 E CB -0.093 29.602 29.700 -0.008 0.000 0.745 674 E HN 0.491 nan 8.360 nan 0.000 0.458 675 T N 1.541 116.083 114.554 -0.021 0.000 2.857 675 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 675 T C 1.865 176.547 174.700 -0.030 0.000 1.048 675 T CA 0.643 62.726 62.100 -0.029 0.000 1.139 675 T CB 0.019 68.863 68.868 -0.039 0.000 0.874 675 T HN 0.120 nan 8.240 nan 0.000 0.455 676 I N 2.487 123.041 120.570 -0.028 0.000 2.076 676 I HA -0.165 4.005 4.170 -0.001 0.000 0.237 676 I C 2.277 178.370 176.117 -0.038 0.000 1.059 676 I CA 1.354 62.630 61.300 -0.039 0.000 1.317 676 I CB -1.403 36.580 38.000 -0.028 0.000 1.037 676 I HN 0.226 nan 8.210 nan 0.000 0.398 677 N N 0.718 119.405 118.700 -0.022 0.000 2.049 677 N HA -0.214 4.525 4.740 -0.001 0.000 0.198 677 N C 2.076 177.580 175.510 -0.010 0.000 1.030 677 N CA 1.906 54.948 53.050 -0.014 0.000 0.870 677 N CB -0.645 37.842 38.487 -0.001 0.000 1.045 677 N HN 0.264 nan 8.380 nan 0.000 0.434 678 S N 0.842 116.535 115.700 -0.012 0.000 2.356 678 S HA -0.037 4.433 4.470 -0.001 0.000 0.223 678 S C 1.975 176.569 174.600 -0.011 0.000 1.032 678 S CA 1.105 59.299 58.200 -0.010 0.000 1.005 678 S CB -0.234 62.958 63.200 -0.014 0.000 0.867 678 S HN 0.474 nan 8.310 nan 0.000 0.449 679 I N -0.498 120.060 120.570 -0.021 0.000 2.546 679 I HA 0.027 4.197 4.170 -0.001 0.000 0.255 679 I C 2.345 178.448 176.117 -0.023 0.000 1.163 679 I CA 1.150 62.434 61.300 -0.026 0.000 1.457 679 I CB -0.443 37.534 38.000 -0.039 0.000 1.092 679 I HN 0.173 nan 8.210 nan 0.000 0.434 680 R N 1.615 122.111 120.500 -0.008 0.000 2.105 680 R HA -0.176 4.164 4.340 -0.001 0.000 0.239 680 R C 2.029 178.413 176.300 0.140 0.000 1.135 680 R CA 2.041 58.172 56.100 0.052 0.000 0.967 680 R CB -0.166 30.177 30.300 0.073 0.000 0.861 680 R HN 0.564 nan 8.270 nan 0.000 0.442 681 E N 0.103 120.349 120.200 0.077 0.000 2.072 681 E HA -0.149 4.201 4.350 -0.001 0.000 0.190 681 E C 1.605 178.236 176.600 0.051 0.000 0.982 681 E CA 1.101 57.547 56.400 0.077 0.000 0.803 681 E CB -0.057 29.660 29.700 0.029 0.000 0.755 681 E HN 0.389 nan 8.360 nan 0.000 0.453 682 D N 0.700 121.109 120.400 0.015 0.000 2.133 682 D HA -0.145 4.494 4.640 -0.001 0.000 0.195 682 D C 2.086 178.378 176.300 -0.014 0.000 0.997 682 D CA 0.900 54.900 54.000 0.001 0.000 0.840 682 D CB -0.248 40.547 40.800 -0.009 0.000 0.947 682 D HN 0.020 nan 8.370 nan 0.000 0.452 683 V N 0.376 120.253 119.914 -0.062 0.000 2.379 683 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 683 V C 2.153 178.073 176.094 -0.291 0.000 1.044 683 V CA 1.107 63.315 62.300 -0.154 0.000 1.036 683 V CB -0.497 31.166 31.823 -0.267 0.000 0.664 683 V HN 0.031 nan 8.190 nan 0.000 0.453 684 F N 0.735 120.577 119.950 -0.180 0.000 2.102 684 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 684 F C 2.442 178.171 175.800 -0.119 0.000 1.105 684 F CA 2.057 59.924 58.000 -0.221 0.000 1.239 684 F CB -0.530 38.330 39.000 -0.234 0.000 0.991 684 F HN 0.037 nan 8.300 nan 0.000 0.474 685 K N 0.472 120.916 120.400 0.073 0.000 2.009 685 K HA -0.195 4.125 4.320 -0.001 0.000 0.210 685 K C 2.278 178.887 176.600 0.016 0.000 1.049 685 K CA 1.436 57.740 56.287 0.030 0.000 0.929 685 K CB -0.430 32.081 32.500 0.017 0.000 0.714 685 K HN 0.207 nan 8.250 nan 0.000 0.440 686 A N 0.606 123.434 122.820 0.014 0.000 1.933 686 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 686 A C 2.172 179.786 177.584 0.050 0.000 1.175 686 A CA 2.233 54.283 52.037 0.022 0.000 0.628 686 A CB -0.942 18.074 19.000 0.027 0.000 0.814 686 A HN 0.489 nan 8.150 nan 0.000 0.444 687 T N 0.184 114.780 114.554 0.070 0.000 2.777 687 T HA -0.046 4.304 4.350 -0.001 0.000 0.266 687 T C 1.802 176.622 174.700 0.199 0.000 1.040 687 T CA 1.445 63.639 62.100 0.157 0.000 1.141 687 T CB -0.357 68.556 68.868 0.075 0.000 0.868 687 T HN 0.428 nan 8.240 nan 0.000 0.444 688 I N 1.382 122.019 120.570 0.112 0.000 2.252 688 I HA -0.159 4.011 4.170 -0.001 0.000 0.245 688 I C 2.247 178.400 176.117 0.061 0.000 1.102 688 I CA 1.071 62.429 61.300 0.097 0.000 1.385 688 I CB -0.414 37.593 38.000 0.011 0.000 1.064 688 I HN 0.114 nan 8.210 nan 0.000 0.414 689 D N 1.395 121.802 120.400 0.011 0.000 2.172 689 D HA -0.213 4.426 4.640 -0.001 0.000 0.196 689 D C 2.193 178.460 176.300 -0.056 0.000 0.999 689 D CA 1.615 55.598 54.000 -0.029 0.000 0.856 689 D CB -0.228 40.557 40.800 -0.025 0.000 0.934 689 D HN 0.377 nan 8.370 nan 0.000 0.453 690 A N -0.740 122.031 122.820 -0.083 0.000 2.125 690 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 690 A C 1.287 178.510 177.584 -0.600 0.000 1.156 690 A CA 1.106 52.948 52.037 -0.325 0.000 0.671 690 A CB -0.474 18.281 19.000 -0.408 0.000 0.794 690 A HN 0.338 nan 8.150 nan 0.000 0.459 691 Y N -1.944 118.346 120.300 -0.016 0.000 2.452 691 Y HA 0.434 4.984 4.550 -0.001 0.000 0.262 691 Y C 0.438 176.323 175.900 -0.026 0.000 1.089 691 Y CA -0.374 57.725 58.100 -0.002 0.000 1.262 691 Y CB 0.805 39.261 38.460 -0.006 0.000 1.236 691 Y HN 0.047 nan 8.280 nan 0.000 0.512 692 I N 2.528 123.085 120.570 -0.022 0.000 2.623 692 I HA 0.294 4.463 4.170 -0.001 0.000 0.275 692 I C -2.821 173.221 176.117 -0.127 0.000 1.108 692 I CA -2.016 59.122 61.300 -0.269 0.000 1.120 692 I CB 1.266 38.841 38.000 -0.708 0.000 1.249 692 I HN -0.275 nan 8.210 nan 0.000 0.500 693 P HA 0.079 nan 4.420 nan 0.000 0.261 693 P C -2.353 174.980 177.300 0.055 0.000 1.183 693 P CA -0.716 62.413 63.100 0.048 0.000 0.761 693 P CB -0.181 31.579 31.700 0.100 0.000 0.785 694 P HA -0.073 nan 4.420 nan 0.000 0.264 694 P C 0.113 177.464 177.300 0.085 0.000 1.179 694 P CA 0.606 63.720 63.100 0.023 0.000 0.763 694 P CB 0.101 31.807 31.700 0.010 0.000 0.806 695 Q N -1.142 118.723 119.800 0.108 0.000 2.461 695 Q HA -0.222 4.117 4.340 -0.001 0.000 0.264 695 Q C -0.021 176.086 176.000 0.178 0.000 1.085 695 Q CA 1.006 56.896 55.803 0.144 0.000 1.006 695 Q CB -1.640 27.155 28.738 0.096 0.000 1.437 695 Q HN 0.675 nan 8.270 nan 0.000 0.514 696 S N -1.462 114.402 115.700 0.275 0.000 2.687 696 S HA 0.669 5.138 4.470 -0.001 0.000 0.283 696 S C 0.468 175.205 174.600 0.228 0.000 1.170 696 S CA -1.163 57.187 58.200 0.251 0.000 1.008 696 S CB 1.351 64.711 63.200 0.266 0.000 1.026 696 S HN 0.312 nan 8.310 nan 0.000 0.541 697 L N 1.005 122.245 121.223 0.030 0.000 2.474 697 L HA 0.182 4.521 4.340 -0.001 0.000 0.259 697 L C 2.122 178.649 176.870 -0.572 0.000 1.232 697 L CA 0.047 54.785 54.840 -0.170 0.000 0.821 697 L CB 0.146 42.128 42.059 -0.129 0.000 1.108 697 L HN 0.989 nan 8.230 nan 0.000 0.495 698 E N 0.427 120.133 120.200 -0.825 0.000 2.208 698 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 698 E C 1.652 177.799 176.600 -0.756 0.000 0.988 698 E CA 1.140 56.682 56.400 -1.430 0.000 0.828 698 E CB 0.225 29.346 29.700 -0.963 0.000 0.763 698 E HN 0.721 nan 8.360 nan 0.000 0.478 699 E N -0.035 119.931 120.200 -0.390 0.000 2.338 699 E HA -0.180 4.170 4.350 -0.001 0.000 0.197 699 E C 1.478 178.027 176.600 -0.084 0.000 1.007 699 E CA 0.864 57.158 56.400 -0.176 0.000 0.849 699 E CB -0.028 29.604 29.700 -0.113 0.000 0.774 699 E HN 0.250 nan 8.360 nan 0.000 0.506 700 M N -0.030 119.524 119.600 -0.077 0.000 2.556 700 M HA 0.113 4.592 4.480 -0.001 0.000 0.245 700 M C -0.328 176.137 176.300 0.276 0.000 1.128 700 M CA 0.146 55.505 55.300 0.098 0.000 1.069 700 M CB -0.667 32.023 32.600 0.148 0.000 1.469 700 M HN 0.131 nan 8.290 nan 0.000 0.494 701 W N 1.693 123.018 121.300 0.042 0.000 2.272 701 W HA 0.275 4.935 4.660 -0.001 0.000 0.318 701 W C 0.214 176.778 176.519 0.075 0.000 1.255 701 W CA -1.192 56.190 57.345 0.061 0.000 1.200 701 W CB -0.090 29.404 29.460 0.056 0.000 1.170 701 W HN 0.095 nan 8.180 nan 0.000 0.549 702 D N 2.982 123.584 120.400 0.337 0.000 2.590 702 D HA 0.156 4.796 4.640 -0.001 0.000 0.280 702 D C 1.078 177.506 176.300 0.214 0.000 1.197 702 D CA -0.165 53.996 54.000 0.267 0.000 0.967 702 D CB 0.109 41.095 40.800 0.311 0.000 0.987 702 D HN 0.008 nan 8.370 nan 0.000 0.508 703 I N 2.507 123.175 120.570 0.162 0.000 2.315 703 I HA -0.065 4.105 4.170 -0.001 0.000 0.248 703 I C -0.688 175.420 176.117 -0.017 0.000 1.117 703 I CA 0.303 61.644 61.300 0.068 0.000 1.404 703 I CB -1.932 36.125 38.000 0.095 0.000 1.071 703 I HN 0.298 nan 8.210 nan 0.000 0.419 704 P HA -0.157 nan 4.420 nan 0.000 0.216 704 P C 1.729 178.997 177.300 -0.053 0.000 1.157 704 P CA 1.971 65.063 63.100 -0.014 0.000 0.880 704 P CB -0.197 31.518 31.700 0.024 0.000 0.791 705 G N -0.973 107.812 108.800 -0.024 0.000 2.421 705 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.217 705 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 705 G C 1.422 175.897 174.900 -0.708 0.000 1.143 705 G CA 0.243 45.279 45.100 -0.106 0.000 0.784 705 G HN 0.192 nan 8.290 nan 0.000 0.541 706 L N 0.418 121.202 121.223 -0.731 0.000 2.056 706 L HA 0.056 4.395 4.340 -0.001 0.000 0.207 706 L C 2.871 179.515 176.870 -0.377 0.000 1.078 706 L CA 1.744 56.128 54.840 -0.759 0.000 0.749 706 L CB -0.660 41.189 42.059 -0.350 0.000 0.901 706 L HN 0.272 nan 8.230 nan 0.000 0.433 707 Q N -0.722 118.930 119.800 -0.247 0.000 2.061 707 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 707 Q C 2.011 177.937 176.000 -0.123 0.000 0.984 707 Q CA 1.835 57.535 55.803 -0.171 0.000 0.846 707 Q CB -0.130 28.520 28.738 -0.147 0.000 0.902 707 Q HN 0.511 nan 8.270 nan 0.000 0.421 708 E N 0.385 120.512 120.200 -0.123 0.000 2.072 708 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 708 E C 1.906 178.478 176.600 -0.046 0.000 0.985 708 E CA 0.770 57.130 56.400 -0.067 0.000 0.801 708 E CB -0.198 29.475 29.700 -0.046 0.000 0.750 708 E HN 0.117 nan 8.360 nan 0.000 0.452 709 R N 1.315 121.751 120.500 -0.107 0.000 2.096 709 R HA -0.088 4.251 4.340 -0.001 0.000 0.240 709 R C 2.411 178.789 176.300 0.130 0.000 1.139 709 R CA 1.209 57.306 56.100 -0.006 0.000 0.952 709 R CB -0.838 29.386 30.300 -0.127 0.000 0.854 709 R HN 0.180 nan 8.270 nan 0.000 0.436 710 L N 0.096 121.374 121.223 0.093 0.000 2.017 710 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 710 L C 2.501 179.483 176.870 0.187 0.000 1.073 710 L CA 1.759 56.731 54.840 0.219 0.000 0.745 710 L CB -0.461 41.653 42.059 0.091 0.000 0.894 710 L HN 0.226 nan 8.230 nan 0.000 0.432 711 K N 0.092 120.536 120.400 0.073 0.000 1.991 711 K HA -0.168 4.151 4.320 -0.001 0.000 0.212 711 K C 1.876 178.500 176.600 0.039 0.000 1.049 711 K CA 1.898 58.213 56.287 0.046 0.000 0.932 711 K CB -0.171 32.333 32.500 0.007 0.000 0.717 711 K HN 0.263 nan 8.250 nan 0.000 0.441 712 N N 0.790 119.504 118.700 0.024 0.000 2.309 712 N HA -0.106 4.633 4.740 -0.001 0.000 0.182 712 N C 0.675 176.148 175.510 -0.061 0.000 1.018 712 N CA 1.265 54.313 53.050 -0.005 0.000 0.876 712 N CB -0.016 38.475 38.487 0.006 0.000 0.972 712 N HN 0.212 nan 8.380 nan 0.000 0.434 713 D N -1.699 118.632 120.400 -0.116 0.000 2.454 713 D HA 0.177 4.817 4.640 -0.001 0.000 0.219 713 D C 0.183 175.920 176.300 -0.938 0.000 1.081 713 D CA 0.245 53.958 54.000 -0.478 0.000 0.867 713 D CB 0.215 40.706 40.800 -0.515 0.000 1.054 713 D HN 0.181 nan 8.370 nan 0.000 0.500 714 F N -0.048 119.886 119.950 -0.027 0.000 2.781 714 F HA 0.149 4.676 4.527 -0.001 0.000 0.322 714 F C 0.141 175.968 175.800 0.045 0.000 1.108 714 F CA -0.582 57.419 58.000 0.002 0.000 1.179 714 F CB 0.325 39.356 39.000 0.052 0.000 1.072 714 F HN -0.256 nan 8.300 nan 0.000 0.545 715 D N 1.194 121.649 120.400 0.092 0.000 2.737 715 D HA -0.247 4.393 4.640 -0.001 0.000 0.233 715 D C -0.927 175.438 176.300 0.108 0.000 1.155 715 D CA 0.573 54.620 54.000 0.078 0.000 0.667 715 D CB -1.103 39.734 40.800 0.063 0.000 1.060 715 D HN 0.158 nan 8.370 nan 0.000 0.427 716 L N 1.239 122.545 121.223 0.137 0.000 2.345 716 L HA 0.453 4.793 4.340 -0.001 0.000 0.274 716 L C -0.813 176.092 176.870 0.058 0.000 0.999 716 L CA -0.669 54.244 54.840 0.122 0.000 0.849 716 L CB 1.728 43.899 42.059 0.186 0.000 1.220 716 L HN 0.132 nan 8.230 nan 0.000 0.422 717 D N 5.187 125.605 120.400 0.030 0.000 2.454 717 D HA 0.468 5.108 4.640 -0.001 0.000 0.225 717 D C -1.268 175.009 176.300 -0.039 0.000 1.081 717 D CA -0.040 53.954 54.000 -0.010 0.000 0.864 717 D CB 0.450 41.250 40.800 -0.001 0.000 1.040 717 D HN 0.347 nan 8.370 nan 0.000 0.517 718 L N 4.842 125.993 121.223 -0.120 0.000 2.385 718 L HA 0.486 4.825 4.340 -0.001 0.000 0.273 718 L C -2.077 174.540 176.870 -0.422 0.000 0.990 718 L CA -1.992 52.705 54.840 -0.239 0.000 0.821 718 L CB 2.615 44.485 42.059 -0.315 0.000 1.279 718 L HN 0.232 nan 8.230 nan 0.000 0.412 719 P HA 0.192 nan 4.420 nan 0.000 0.218 719 P C 0.987 177.773 177.300 -0.856 0.000 1.793 719 P CA -0.092 62.736 63.100 -0.454 0.000 0.941 719 P CB 0.121 31.706 31.700 -0.191 0.000 1.919 720 I N 1.055 121.104 120.570 -0.867 0.000 2.127 720 I HA -0.314 3.856 4.170 -0.001 0.000 0.241 720 I C 2.450 178.391 176.117 -0.294 0.000 1.075 720 I CA 1.734 62.562 61.300 -0.787 0.000 1.334 720 I CB -0.779 36.934 38.000 -0.479 0.000 1.040 720 I HN 0.115 nan 8.210 nan 0.000 0.405 721 A N 0.292 123.010 122.820 -0.169 0.000 1.958 721 A HA -0.293 4.027 4.320 -0.001 0.000 0.221 721 A C 2.172 179.760 177.584 0.006 0.000 1.178 721 A CA 2.182 54.197 52.037 -0.038 0.000 0.642 721 A CB -0.695 18.286 19.000 -0.033 0.000 0.816 721 A HN 0.488 nan 8.150 nan 0.000 0.453 722 E N -1.368 118.810 120.200 -0.036 0.000 2.150 722 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 722 E C 1.775 178.517 176.600 0.237 0.000 0.985 722 E CA 1.228 57.671 56.400 0.072 0.000 0.814 722 E CB -0.142 29.595 29.700 0.061 0.000 0.752 722 E HN 0.853 nan 8.360 nan 0.000 0.466 723 W N 0.590 121.911 121.300 0.034 0.000 2.378 723 W HA -0.065 4.594 4.660 -0.001 0.000 0.313 723 W C 1.963 178.515 176.519 0.054 0.000 1.197 723 W CA 0.509 57.877 57.345 0.038 0.000 1.304 723 W CB -1.234 28.247 29.460 0.036 0.000 1.148 723 W HN 0.113 nan 8.180 nan 0.000 0.494 724 L N 0.457 121.870 121.223 0.316 0.000 1.989 724 L HA -0.255 4.085 4.340 -0.001 0.000 0.211 724 L C 2.147 179.107 176.870 0.151 0.000 1.071 724 L CA 2.236 57.213 54.840 0.228 0.000 0.749 724 L CB -1.228 40.955 42.059 0.207 0.000 0.890 724 L HN 0.034 nan 8.230 nan 0.000 0.431 725 D N -0.685 119.789 120.400 0.124 0.000 2.312 725 D HA -0.173 4.467 4.640 -0.001 0.000 0.211 725 D C 1.931 178.281 176.300 0.083 0.000 0.964 725 D CA 1.034 55.084 54.000 0.084 0.000 0.877 725 D CB 0.039 40.877 40.800 0.063 0.000 0.924 725 D HN 0.189 nan 8.370 nan 0.000 0.515 726 K N -0.399 120.067 120.400 0.111 0.000 2.276 726 K HA 0.038 4.357 4.320 -0.001 0.000 0.198 726 K C 0.144 176.788 176.600 0.073 0.000 1.052 726 K CA 0.465 56.806 56.287 0.089 0.000 0.984 726 K CB 0.388 32.949 32.500 0.102 0.000 0.836 726 K HN 0.301 nan 8.250 nan 0.000 0.490 727 E N 1.036 121.290 120.200 0.091 0.000 2.346 727 E HA 0.154 4.504 4.350 -0.001 0.000 0.239 727 E C -2.575 174.075 176.600 0.083 0.000 0.943 727 E CA -2.129 54.312 56.400 0.069 0.000 0.751 727 E CB 1.209 30.936 29.700 0.045 0.000 1.241 727 E HN -0.134 nan 8.360 nan 0.000 0.423 728 P HA -0.261 nan 4.420 nan 0.000 0.222 728 P C 0.135 177.476 177.300 0.068 0.000 1.159 728 P CA 1.593 64.725 63.100 0.054 0.000 0.920 728 P CB 0.106 31.826 31.700 0.034 0.000 0.793 729 E N -0.733 119.501 120.200 0.057 0.000 2.975 729 E HA 0.009 4.359 4.350 -0.001 0.000 0.301 729 E C 0.961 177.615 176.600 0.089 0.000 1.554 729 E CA -0.399 56.037 56.400 0.060 0.000 1.716 729 E CB -0.411 29.306 29.700 0.029 0.000 1.365 729 E HN 0.103 nan 8.360 nan 0.000 0.469 730 L N 0.754 122.061 121.223 0.140 0.000 2.496 730 L HA 0.169 4.509 4.340 -0.001 0.000 0.189 730 L C 0.461 177.512 176.870 0.301 0.000 1.308 730 L CA 1.394 56.342 54.840 0.180 0.000 0.912 730 L CB -0.544 41.635 42.059 0.199 0.000 1.148 730 L HN 0.604 nan 8.230 nan 0.000 0.537 731 H N 0.133 119.312 119.070 0.181 0.000 4.841 731 H HA -0.167 4.388 4.556 -0.001 0.000 0.276 731 H C 0.477 175.935 175.328 0.215 0.000 0.567 731 H CA 0.797 56.973 56.048 0.213 0.000 0.725 731 H CB -0.637 29.199 29.762 0.125 0.000 0.934 731 H HN 0.560 nan 8.280 nan 0.000 0.314 732 E N 2.106 122.168 120.200 -0.231 0.000 2.077 732 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 732 E C 1.883 178.200 176.600 -0.472 0.000 0.989 732 E CA 1.591 57.801 56.400 -0.316 0.000 0.800 732 E CB -0.081 29.514 29.700 -0.175 0.000 0.746 732 E HN 0.652 nan 8.360 nan 0.000 0.452 733 E N -0.062 119.668 120.200 -0.782 0.000 2.152 733 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 733 E C 1.953 178.425 176.600 -0.213 0.000 0.983 733 E CA 1.796 57.964 56.400 -0.386 0.000 0.818 733 E CB -0.199 29.414 29.700 -0.144 0.000 0.758 733 E HN 0.347 nan 8.360 nan 0.000 0.467 734 T N -1.079 113.350 114.554 -0.208 0.000 3.043 734 T HA 0.001 4.351 4.350 -0.001 0.000 0.263 734 T C 1.941 176.613 174.700 -0.047 0.000 1.094 734 T CA 0.406 62.503 62.100 -0.005 0.000 1.127 734 T CB -0.183 68.777 68.868 0.153 0.000 0.905 734 T HN 0.208 nan 8.240 nan 0.000 0.490 735 L N 0.489 121.671 121.223 -0.069 0.000 2.027 735 L HA -0.030 4.310 4.340 -0.001 0.000 0.206 735 L C 3.111 179.973 176.870 -0.013 0.000 1.074 735 L CA 1.338 56.183 54.840 0.009 0.000 0.745 735 L CB -0.227 41.821 42.059 -0.019 0.000 0.898 735 L HN 0.212 nan 8.230 nan 0.000 0.433 736 R N -0.171 120.273 120.500 -0.094 0.000 2.083 736 R HA -0.231 4.108 4.340 -0.001 0.000 0.237 736 R C 2.080 178.330 176.300 -0.084 0.000 1.137 736 R CA 2.004 58.051 56.100 -0.089 0.000 0.951 736 R CB -0.420 29.819 30.300 -0.103 0.000 0.851 736 R HN 0.490 nan 8.270 nan 0.000 0.434 737 E N 0.151 120.304 120.200 -0.077 0.000 2.058 737 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 737 E C 2.181 178.722 176.600 -0.098 0.000 0.997 737 E CA 1.110 57.461 56.400 -0.081 0.000 0.801 737 E CB -0.016 29.649 29.700 -0.058 0.000 0.746 737 E HN 0.254 nan 8.360 nan 0.000 0.450 738 R N 0.334 120.779 120.500 -0.092 0.000 2.096 738 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 738 R C 2.423 178.693 176.300 -0.049 0.000 1.127 738 R CA 1.009 57.036 56.100 -0.122 0.000 0.968 738 R CB -0.475 29.654 30.300 -0.286 0.000 0.861 738 R HN 0.272 nan 8.270 nan 0.000 0.440 739 I N 0.820 121.387 120.570 -0.004 0.000 2.142 739 I HA -0.301 3.868 4.170 -0.001 0.000 0.240 739 I C 2.480 178.379 176.117 -0.364 0.000 1.078 739 I CA 0.946 62.196 61.300 -0.084 0.000 1.343 739 I CB -0.320 37.629 38.000 -0.085 0.000 1.046 739 I HN 0.084 nan 8.210 nan 0.000 0.405 740 L N 1.271 122.258 121.223 -0.394 0.000 1.970 740 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 740 L C 2.629 179.302 176.870 -0.329 0.000 1.071 740 L CA 2.304 56.842 54.840 -0.503 0.000 0.751 740 L CB -0.915 40.973 42.059 -0.286 0.000 0.889 740 L HN 0.214 nan 8.230 nan 0.000 0.432 741 A N -1.220 121.486 122.820 -0.190 0.000 1.927 741 A HA -0.337 3.983 4.320 -0.001 0.000 0.220 741 A C 2.234 179.757 177.584 -0.101 0.000 1.185 741 A CA 2.170 54.134 52.037 -0.121 0.000 0.639 741 A CB -0.811 18.131 19.000 -0.096 0.000 0.820 741 A HN 0.614 nan 8.150 nan 0.000 0.451 742 Q N 0.067 119.806 119.800 -0.102 0.000 2.124 742 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 742 Q C 2.511 178.482 176.000 -0.047 0.000 0.977 742 Q CA 1.999 57.778 55.803 -0.041 0.000 0.850 742 Q CB -0.441 28.317 28.738 0.034 0.000 0.901 742 Q HN 0.877 nan 8.270 nan 0.000 0.429 743 S N -0.793 114.818 115.700 -0.149 0.000 2.371 743 S HA -0.072 4.398 4.470 -0.001 0.000 0.224 743 S C 1.985 176.583 174.600 -0.003 0.000 1.029 743 S CA 0.725 58.868 58.200 -0.095 0.000 0.978 743 S CB -0.435 62.585 63.200 -0.301 0.000 0.833 743 S HN 0.347 nan 8.310 nan 0.000 0.466 744 I N 3.004 123.543 120.570 -0.051 0.000 2.179 744 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 744 I C 2.851 179.022 176.117 0.090 0.000 1.088 744 I CA 2.041 63.360 61.300 0.032 0.000 1.357 744 I CB -0.398 37.592 38.000 -0.016 0.000 1.051 744 I HN 0.582 nan 8.210 nan 0.000 0.409 745 E N 0.172 120.396 120.200 0.040 0.000 2.150 745 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 745 E C 2.084 178.723 176.600 0.064 0.000 0.985 745 E CA 1.042 57.468 56.400 0.044 0.000 0.814 745 E CB -0.481 29.229 29.700 0.016 0.000 0.752 745 E HN 0.265 nan 8.360 nan 0.000 0.466 746 V N 0.754 120.715 119.914 0.078 0.000 2.469 746 V HA -0.286 3.833 4.120 -0.001 0.000 0.251 746 V C 2.048 178.226 176.094 0.141 0.000 1.064 746 V CA 1.985 64.343 62.300 0.096 0.000 1.066 746 V CB -0.688 31.198 31.823 0.105 0.000 0.667 746 V HN 0.363 nan 8.190 nan 0.000 0.461 747 Y N 0.308 120.629 120.300 0.035 0.000 2.220 747 Y HA -0.221 4.328 4.550 -0.001 0.000 0.291 747 Y C 2.726 178.647 175.900 0.035 0.000 1.129 747 Y CA 1.707 59.836 58.100 0.048 0.000 1.161 747 Y CB 0.099 38.596 38.460 0.062 0.000 0.997 747 Y HN 0.215 nan 8.280 nan 0.000 0.522 748 Q N 0.207 120.052 119.800 0.075 0.000 2.124 748 Q HA -0.238 4.102 4.340 -0.001 0.000 0.202 748 Q C 2.363 178.333 176.000 -0.051 0.000 0.977 748 Q CA 2.008 57.803 55.803 -0.013 0.000 0.850 748 Q CB -0.199 28.559 28.738 0.033 0.000 0.901 748 Q HN 0.471 nan 8.270 nan 0.000 0.429 749 R N 0.644 121.130 120.500 -0.024 0.000 2.092 749 R HA -0.134 4.205 4.340 -0.001 0.000 0.231 749 R C 1.509 177.771 176.300 -0.063 0.000 1.119 749 R CA 1.444 57.526 56.100 -0.031 0.000 0.970 749 R CB -0.147 30.150 30.300 -0.005 0.000 0.864 749 R HN 0.109 nan 8.270 nan 0.000 0.440 750 K N 0.822 121.164 120.400 -0.096 0.000 2.057 750 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 750 K C 2.116 178.608 176.600 -0.180 0.000 1.050 750 K CA 1.675 57.881 56.287 -0.134 0.000 0.935 750 K CB -0.150 32.265 32.500 -0.142 0.000 0.715 750 K HN 0.371 nan 8.250 nan 0.000 0.439 751 E N 1.713 121.763 120.200 -0.251 0.000 2.085 751 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 751 E C 1.614 178.145 176.600 -0.115 0.000 0.994 751 E CA 1.427 57.701 56.400 -0.211 0.000 0.801 751 E CB 0.122 29.684 29.700 -0.230 0.000 0.743 751 E HN 0.286 nan 8.360 nan 0.000 0.453 752 E N -0.308 119.840 120.200 -0.087 0.000 2.153 752 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 752 E C 2.076 178.644 176.600 -0.053 0.000 0.988 752 E CA 1.206 57.573 56.400 -0.055 0.000 0.811 752 E CB 0.155 29.831 29.700 -0.039 0.000 0.746 752 E HN 0.163 nan 8.360 nan 0.000 0.466 753 V N 0.054 119.929 119.914 -0.065 0.000 2.591 753 V HA -0.126 3.993 4.120 -0.001 0.000 0.249 753 V C 1.929 177.984 176.094 -0.065 0.000 1.053 753 V CA 1.002 63.267 62.300 -0.059 0.000 1.068 753 V CB 0.415 32.201 31.823 -0.061 0.000 0.689 753 V HN 0.140 nan 8.190 nan 0.000 0.462 754 V N -1.204 118.661 119.914 -0.082 0.000 2.922 754 V HA 0.566 4.686 4.120 -0.001 0.000 0.242 754 V C 0.841 176.899 176.094 -0.060 0.000 1.094 754 V CA 1.344 63.594 62.300 -0.085 0.000 1.106 754 V CB 0.688 32.435 31.823 -0.126 0.000 0.799 754 V HN 0.707 nan 8.190 nan 0.000 0.474 755 G N -1.534 107.234 108.800 -0.053 0.000 2.592 755 G HA2 0.248 4.207 3.960 -0.001 0.000 0.685 755 G HA3 0.248 4.207 3.960 -0.001 0.000 0.685 755 G C 0.283 175.175 174.900 -0.013 0.000 1.278 755 G CA -0.221 44.862 45.100 -0.028 0.000 0.822 755 G HN 0.663 nan 8.290 nan 0.000 0.652 756 A N 0.438 123.259 122.820 0.002 0.000 1.858 756 A HA 0.042 4.362 4.320 -0.001 0.000 0.216 756 A C 2.009 179.633 177.584 0.067 0.000 1.190 756 A CA 2.413 54.464 52.037 0.024 0.000 0.617 756 A CB -0.478 18.537 19.000 0.024 0.000 0.827 756 A HN 0.962 nan 8.150 nan 0.000 0.443 757 E N -1.510 118.736 120.200 0.077 0.000 2.150 757 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 757 E C 1.896 178.611 176.600 0.192 0.000 0.985 757 E CA 1.389 57.876 56.400 0.146 0.000 0.814 757 E CB -0.113 29.644 29.700 0.096 0.000 0.752 757 E HN 0.523 nan 8.360 nan 0.000 0.466 758 M N -0.133 119.525 119.600 0.097 0.000 2.200 758 M HA -0.083 4.397 4.480 -0.001 0.000 0.265 758 M C 1.854 178.251 176.300 0.162 0.000 1.066 758 M CA 1.316 56.672 55.300 0.093 0.000 1.127 758 M CB -0.003 32.608 32.600 0.019 0.000 1.379 758 M HN 0.108 nan 8.290 nan 0.000 0.420 759 M N -0.473 119.199 119.600 0.120 0.000 2.099 759 M HA -0.129 4.351 4.480 -0.001 0.000 0.262 759 M C 2.090 178.525 176.300 0.225 0.000 1.067 759 M CA 1.412 56.802 55.300 0.150 0.000 1.124 759 M CB -0.783 31.837 32.600 0.034 0.000 1.353 759 M HN 0.194 nan 8.290 nan 0.000 0.410 760 R N -0.347 120.254 120.500 0.169 0.000 2.096 760 R HA -0.160 4.180 4.340 -0.001 0.000 0.240 760 R C 1.953 178.290 176.300 0.061 0.000 1.139 760 R CA 1.428 57.585 56.100 0.094 0.000 0.952 760 R CB -1.412 28.910 30.300 0.037 0.000 0.854 760 R HN 0.598 nan 8.270 nan 0.000 0.436 761 H N -1.264 117.875 119.070 0.115 0.000 2.428 761 H HA -0.068 4.487 4.556 -0.001 0.000 0.296 761 H C 1.904 177.329 175.328 0.161 0.000 1.062 761 H CA 0.960 57.076 56.048 0.114 0.000 1.350 761 H CB -0.196 29.624 29.762 0.097 0.000 1.403 761 H HN 0.099 nan 8.280 nan 0.000 0.533 762 F N 2.352 122.397 119.950 0.159 0.000 2.102 762 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 762 F C 2.247 178.113 175.800 0.109 0.000 1.105 762 F CA 1.416 59.486 58.000 0.117 0.000 1.239 762 F CB -0.176 38.879 39.000 0.092 0.000 0.991 762 F HN 0.025 nan 8.300 nan 0.000 0.474 763 E N 0.119 120.349 120.200 0.050 0.000 2.070 763 E HA -0.289 4.061 4.350 -0.001 0.000 0.197 763 E C 2.273 178.803 176.600 -0.117 0.000 1.004 763 E CA 1.694 58.058 56.400 -0.061 0.000 0.805 763 E CB -0.262 29.480 29.700 0.070 0.000 0.744 763 E HN 0.365 nan 8.360 nan 0.000 0.451 764 K N 0.144 120.504 120.400 -0.065 0.000 2.025 764 K HA -0.127 4.192 4.320 -0.001 0.000 0.207 764 K C 2.241 178.809 176.600 -0.053 0.000 1.049 764 K CA 1.362 57.604 56.287 -0.075 0.000 0.933 764 K CB -0.318 32.130 32.500 -0.087 0.000 0.714 764 K HN 0.180 nan 8.250 nan 0.000 0.438 765 G N 0.876 109.685 108.800 0.016 0.000 2.476 765 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 765 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 765 G C 1.519 176.437 174.900 0.029 0.000 1.164 765 G CA 1.164 46.346 45.100 0.136 0.000 0.768 765 G HN 0.216 nan 8.290 nan 0.000 0.560 766 V N 1.080 120.858 119.914 -0.226 0.000 2.332 766 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 766 V C 2.939 178.961 176.094 -0.120 0.000 1.055 766 V CA 2.167 64.316 62.300 -0.252 0.000 1.038 766 V CB -0.421 31.119 31.823 -0.471 0.000 0.651 766 V HN 0.385 nan 8.190 nan 0.000 0.450 767 M N -1.041 118.485 119.600 -0.124 0.000 2.117 767 M HA -0.169 4.311 4.480 -0.001 0.000 0.262 767 M C 2.192 178.426 176.300 -0.111 0.000 1.065 767 M CA 1.907 57.142 55.300 -0.107 0.000 1.114 767 M CB -0.443 32.090 32.600 -0.112 0.000 1.361 767 M HN 0.303 nan 8.290 nan 0.000 0.408 768 L N -0.416 120.721 121.223 -0.144 0.000 2.044 768 L HA -0.204 4.136 4.340 -0.001 0.000 0.205 768 L C 2.686 179.479 176.870 -0.128 0.000 1.075 768 L CA 1.326 55.995 54.840 -0.285 0.000 0.747 768 L CB -0.744 40.898 42.059 -0.695 0.000 0.903 768 L HN 0.417 nan 8.230 nan 0.000 0.435 769 Q N -0.164 119.698 119.800 0.102 0.000 2.119 769 Q HA -0.172 4.167 4.340 -0.001 0.000 0.201 769 Q C 1.902 177.962 176.000 0.099 0.000 0.972 769 Q CA 2.083 58.028 55.803 0.238 0.000 0.847 769 Q CB 0.010 28.906 28.738 0.262 0.000 0.903 769 Q HN 0.419 nan 8.270 nan 0.000 0.433 770 T N 1.891 116.464 114.554 0.032 0.000 2.821 770 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 770 T C 1.823 176.537 174.700 0.023 0.000 1.046 770 T CA 1.053 63.164 62.100 0.019 0.000 1.139 770 T CB -0.264 68.597 68.868 -0.012 0.000 0.871 770 T HN 0.305 nan 8.240 nan 0.000 0.454 771 L N 1.117 122.334 121.223 -0.009 0.000 2.012 771 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 771 L C 2.115 179.036 176.870 0.084 0.000 1.073 771 L CA 1.808 56.643 54.840 -0.008 0.000 0.748 771 L CB -0.370 41.639 42.059 -0.083 0.000 0.891 771 L HN 0.111 nan 8.230 nan 0.000 0.431 772 D N -0.736 119.715 120.400 0.086 0.000 2.097 772 D HA -0.157 4.483 4.640 -0.001 0.000 0.195 772 D C 2.377 178.794 176.300 0.195 0.000 0.989 772 D CA 1.560 55.662 54.000 0.169 0.000 0.827 772 D CB -0.177 40.712 40.800 0.148 0.000 0.966 772 D HN 0.296 nan 8.370 nan 0.000 0.456 773 S N 0.315 116.097 115.700 0.137 0.000 2.348 773 S HA -0.078 4.392 4.470 -0.001 0.000 0.221 773 S C 2.200 176.864 174.600 0.108 0.000 1.033 773 S CA 0.650 58.915 58.200 0.108 0.000 1.010 773 S CB -0.289 62.957 63.200 0.077 0.000 0.891 773 S HN 0.235 nan 8.310 nan 0.000 0.442 774 L N 0.116 121.406 121.223 0.111 0.000 2.141 774 L HA -0.094 4.246 4.340 -0.001 0.000 0.209 774 L C 2.344 179.331 176.870 0.196 0.000 1.094 774 L CA 1.035 55.940 54.840 0.108 0.000 0.763 774 L CB -0.445 41.653 42.059 0.064 0.000 0.908 774 L HN 0.537 nan 8.230 nan 0.000 0.437 775 W N 2.772 124.091 121.300 0.031 0.000 2.381 775 W HA -0.239 4.421 4.660 -0.001 0.000 0.301 775 W C 2.466 179.045 176.519 0.102 0.000 1.205 775 W CA 1.830 59.222 57.345 0.077 0.000 1.285 775 W CB 0.084 29.595 29.460 0.084 0.000 1.133 775 W HN 0.226 nan 8.180 nan 0.000 0.521 776 K N 0.483 120.918 120.400 0.058 0.000 2.103 776 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 776 K C 1.647 178.164 176.600 -0.139 0.000 1.048 776 K CA 2.117 58.355 56.287 -0.082 0.000 0.930 776 K CB -0.872 31.639 32.500 0.018 0.000 0.716 776 K HN 0.158 nan 8.250 nan 0.000 0.444 777 E N 0.070 120.235 120.200 -0.058 0.000 2.051 777 E HA -0.240 4.110 4.350 -0.001 0.000 0.192 777 E C 2.148 178.670 176.600 -0.131 0.000 0.991 777 E CA 1.556 57.914 56.400 -0.070 0.000 0.799 777 E CB -0.219 29.478 29.700 -0.005 0.000 0.748 777 E HN 0.562 nan 8.360 nan 0.000 0.449 778 H N 0.763 119.705 119.070 -0.212 0.000 2.387 778 H HA -0.056 4.500 4.556 -0.001 0.000 0.299 778 H C 2.003 177.073 175.328 -0.430 0.000 1.090 778 H CA 1.300 57.193 56.048 -0.259 0.000 1.332 778 H CB -0.106 29.556 29.762 -0.166 0.000 1.386 778 H HN 0.046 nan 8.280 nan 0.000 0.516 779 L N -0.354 120.497 121.223 -0.621 0.000 2.079 779 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 779 L C 2.767 179.351 176.870 -0.476 0.000 1.081 779 L CA 1.074 55.543 54.840 -0.619 0.000 0.752 779 L CB -0.615 41.095 42.059 -0.582 0.000 0.896 779 L HN 0.480 nan 8.230 nan 0.000 0.433 780 A N -0.310 122.237 122.820 -0.455 0.000 1.929 780 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 780 A C 2.509 179.568 177.584 -0.875 0.000 1.176 780 A CA 1.363 53.034 52.037 -0.610 0.000 0.628 780 A CB -0.545 18.152 19.000 -0.505 0.000 0.816 780 A HN 0.381 nan 8.150 nan 0.000 0.444 781 A N -0.785 121.687 122.820 -0.579 0.000 1.902 781 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 781 A C 2.174 179.559 177.584 -0.331 0.000 1.181 781 A CA 1.856 53.653 52.037 -0.401 0.000 0.623 781 A CB -0.459 18.409 19.000 -0.221 0.000 0.818 781 A HN 0.412 nan 8.150 nan 0.000 0.443 782 M N -0.363 118.976 119.600 -0.434 0.000 2.175 782 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 782 M C 1.824 178.052 176.300 -0.119 0.000 1.063 782 M CA 1.509 56.635 55.300 -0.290 0.000 1.119 782 M CB -1.273 31.083 32.600 -0.407 0.000 1.377 782 M HN 0.482 nan 8.290 nan 0.000 0.415 783 D N 0.093 120.363 120.400 -0.215 0.000 2.103 783 D HA -0.206 4.433 4.640 -0.001 0.000 0.190 783 D C 1.989 178.315 176.300 0.044 0.000 0.997 783 D CA 1.691 55.622 54.000 -0.115 0.000 0.833 783 D CB -0.339 40.335 40.800 -0.209 0.000 0.961 783 D HN 0.501 nan 8.370 nan 0.000 0.447 784 Y N -0.132 120.154 120.300 -0.023 0.000 2.207 784 Y HA -0.186 4.364 4.550 -0.001 0.000 0.287 784 Y C 2.480 178.395 175.900 0.025 0.000 1.156 784 Y CA 0.092 58.190 58.100 -0.003 0.000 1.182 784 Y CB -0.199 38.255 38.460 -0.011 0.000 0.979 784 Y HN 0.049 nan 8.280 nan 0.000 0.521 785 L N 0.790 122.127 121.223 0.189 0.000 2.083 785 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 785 L C 2.456 179.456 176.870 0.217 0.000 1.083 785 L CA 1.591 56.547 54.840 0.193 0.000 0.752 785 L CB -0.563 41.601 42.059 0.175 0.000 0.899 785 L HN 0.027 nan 8.230 nan 0.000 0.433 786 R N -0.602 120.014 120.500 0.193 0.000 2.066 786 R HA -0.182 4.158 4.340 -0.001 0.000 0.232 786 R C 2.338 178.595 176.300 -0.072 0.000 1.131 786 R CA 1.703 57.811 56.100 0.013 0.000 0.955 786 R CB -0.288 30.001 30.300 -0.019 0.000 0.851 786 R HN 0.740 nan 8.270 nan 0.000 0.432 787 Q N -0.891 118.923 119.800 0.023 0.000 2.369 787 Q HA -0.032 4.308 4.340 -0.001 0.000 0.206 787 Q C 1.324 177.394 176.000 0.116 0.000 0.963 787 Q CA 1.394 57.231 55.803 0.058 0.000 0.894 787 Q CB -0.026 28.762 28.738 0.083 0.000 0.965 787 Q HN 0.359 nan 8.270 nan 0.000 0.475 788 G N 1.463 110.318 108.800 0.092 0.000 3.094 788 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.208 788 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.208 788 G C 0.553 175.470 174.900 0.029 0.000 1.189 788 G CA -0.336 44.823 45.100 0.097 0.000 0.856 788 G HN 0.321 nan 8.290 nan 0.000 0.510 789 I N 0.773 121.253 120.570 -0.151 0.000 3.539 789 I HA 0.196 4.366 4.170 -0.001 0.000 0.297 789 I C 0.625 176.355 176.117 -0.645 0.000 1.284 789 I CA -0.271 60.804 61.300 -0.375 0.000 1.355 789 I CB -0.707 37.005 38.000 -0.480 0.000 1.144 789 I HN 0.254 nan 8.210 nan 0.000 0.495 790 H N -0.041 119.021 119.070 -0.014 0.000 3.480 790 H HA 0.373 4.929 4.556 -0.001 0.000 0.257 790 H C 0.412 175.715 175.328 -0.043 0.000 1.196 790 H CA -0.119 55.912 56.048 -0.029 0.000 1.100 790 H CB 0.808 30.545 29.762 -0.042 0.000 1.683 790 H HN 0.100 nan 8.280 nan 0.000 0.702 791 L N 0.085 121.329 121.223 0.036 0.000 3.766 791 L HA 0.289 4.629 4.340 -0.001 0.000 0.370 791 L C 0.507 177.386 176.870 0.015 0.000 1.320 791 L CA 0.588 55.403 54.840 -0.042 0.000 1.098 791 L CB 0.189 42.226 42.059 -0.037 0.000 1.405 791 L HN 0.145 nan 8.230 nan 0.000 0.608 792 R N -0.625 119.953 120.500 0.130 0.000 2.207 792 R HA 0.344 4.683 4.340 -0.001 0.000 0.184 792 R C 0.821 177.326 176.300 0.342 0.000 1.280 792 R CA 0.670 56.902 56.100 0.220 0.000 1.166 792 R CB 0.398 30.784 30.300 0.144 0.000 1.116 792 R HN 0.214 nan 8.270 nan 0.000 0.494 793 G N 0.898 109.844 108.800 0.243 0.000 2.327 793 G HA2 0.382 4.342 3.960 -0.001 0.000 0.302 793 G HA3 0.382 4.342 3.960 -0.001 0.000 0.302 793 G C -0.530 174.519 174.900 0.248 0.000 1.113 793 G CA -0.233 44.966 45.100 0.165 0.000 0.921 793 G HN 0.323 nan 8.290 nan 0.000 0.425 794 Y N 1.305 121.616 120.300 0.017 0.000 2.627 794 Y HA 0.665 5.214 4.550 -0.001 0.000 0.103 794 Y C 1.315 177.223 175.900 0.012 0.000 0.930 794 Y CA -0.344 57.764 58.100 0.014 0.000 1.840 794 Y CB -0.022 38.447 38.460 0.015 0.000 1.162 794 Y HN 0.541 nan 8.280 nan 0.000 0.218 795 A N 2.020 124.773 122.820 -0.113 0.000 2.981 795 A HA 0.314 4.634 4.320 -0.001 0.000 0.280 795 A C 0.018 177.544 177.584 -0.097 0.000 1.797 795 A CA 0.360 52.377 52.037 -0.033 0.000 1.456 795 A CB -1.602 17.416 19.000 0.030 0.000 1.057 795 A HN 0.593 nan 8.150 nan 0.000 0.602 796 Q N -1.208 118.558 119.800 -0.056 0.000 2.488 796 Q HA -0.144 4.196 4.340 -0.001 0.000 0.279 796 Q C -0.808 175.146 176.000 -0.076 0.000 1.174 796 Q CA 0.977 56.749 55.803 -0.051 0.000 0.888 796 Q CB -1.730 26.985 28.738 -0.039 0.000 1.254 796 Q HN 0.648 nan 8.270 nan 0.000 0.475 797 K N 1.464 121.809 120.400 -0.092 0.000 2.579 797 K HA 0.247 4.566 4.320 -0.001 0.000 0.250 797 K C -0.908 175.671 176.600 -0.034 0.000 0.952 797 K CA -0.628 55.615 56.287 -0.073 0.000 0.857 797 K CB 1.198 33.635 32.500 -0.105 0.000 1.123 797 K HN 0.037 nan 8.250 nan 0.000 0.433 798 D N 4.615 125.007 120.400 -0.014 0.000 2.772 798 D HA -0.097 4.543 4.640 -0.001 0.000 0.227 798 D C -1.276 175.046 176.300 0.037 0.000 1.114 798 D CA -0.758 53.248 54.000 0.011 0.000 0.832 798 D CB 0.999 41.799 40.800 -0.001 0.000 1.154 798 D HN 0.276 nan 8.370 nan 0.000 0.514 799 P HA -0.145 nan 4.420 nan 0.000 0.220 799 P C 1.266 178.665 177.300 0.166 0.000 1.148 799 P CA 0.964 64.134 63.100 0.116 0.000 0.803 799 P CB 0.361 32.125 31.700 0.106 0.000 0.782 800 K N 0.093 120.567 120.400 0.123 0.000 2.002 800 K HA -0.198 4.122 4.320 -0.001 0.000 0.209 800 K C 2.464 179.067 176.600 0.005 0.000 1.048 800 K CA 1.367 57.642 56.287 -0.020 0.000 0.930 800 K CB -0.319 32.068 32.500 -0.189 0.000 0.714 800 K HN -0.164 nan 8.250 nan 0.000 0.438 801 Q N 0.721 120.520 119.800 -0.002 0.000 2.135 801 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 801 Q C 1.694 177.706 176.000 0.020 0.000 0.981 801 Q CA 1.856 57.654 55.803 -0.010 0.000 0.856 801 Q CB -0.063 28.661 28.738 -0.023 0.000 0.902 801 Q HN 0.277 nan 8.270 nan 0.000 0.425 802 E N -1.452 118.784 120.200 0.060 0.000 2.076 802 E HA -0.145 4.205 4.350 -0.001 0.000 0.190 802 E C 1.592 178.265 176.600 0.121 0.000 0.979 802 E CA 0.853 57.297 56.400 0.074 0.000 0.807 802 E CB -0.465 29.282 29.700 0.078 0.000 0.761 802 E HN 0.495 nan 8.360 nan 0.000 0.454 803 Y N 1.458 121.788 120.300 0.051 0.000 2.114 803 Y HA -0.260 4.290 4.550 -0.001 0.000 0.282 803 Y C 1.820 177.748 175.900 0.046 0.000 1.165 803 Y CA 2.309 60.453 58.100 0.074 0.000 1.148 803 Y CB -0.129 38.420 38.460 0.150 0.000 0.972 803 Y HN -0.048 nan 8.280 nan 0.000 0.504 804 K N -0.265 120.130 120.400 -0.009 0.000 2.103 804 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 804 K C 2.264 178.839 176.600 -0.042 0.000 1.048 804 K CA 1.685 57.919 56.287 -0.089 0.000 0.930 804 K CB -0.161 32.312 32.500 -0.045 0.000 0.716 804 K HN 0.330 nan 8.250 nan 0.000 0.444 805 R N 0.795 121.284 120.500 -0.018 0.000 2.066 805 R HA -0.110 4.230 4.340 -0.001 0.000 0.232 805 R C 2.176 178.518 176.300 0.069 0.000 1.131 805 R CA 1.395 57.502 56.100 0.011 0.000 0.955 805 R CB -0.196 30.103 30.300 -0.002 0.000 0.851 805 R HN 0.307 nan 8.270 nan 0.000 0.432 806 E N 0.275 120.489 120.200 0.023 0.000 2.058 806 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 806 E C 2.099 178.701 176.600 0.003 0.000 0.997 806 E CA 1.608 58.021 56.400 0.022 0.000 0.801 806 E CB 0.018 29.729 29.700 0.018 0.000 0.746 806 E HN 0.176 nan 8.360 nan 0.000 0.450 807 S N 0.327 115.960 115.700 -0.112 0.000 2.368 807 S HA -0.137 4.332 4.470 -0.001 0.000 0.224 807 S C 1.614 176.264 174.600 0.085 0.000 1.029 807 S CA 0.797 58.930 58.200 -0.112 0.000 0.988 807 S CB -0.286 62.700 63.200 -0.356 0.000 0.838 807 S HN 0.286 nan 8.310 nan 0.000 0.462 808 F N 2.568 122.499 119.950 -0.033 0.000 2.134 808 F HA -0.126 4.400 4.527 -0.001 0.000 0.299 808 F C 2.396 178.249 175.800 0.088 0.000 1.097 808 F CA 1.368 59.388 58.000 0.032 0.000 1.264 808 F CB -0.605 38.389 39.000 -0.009 0.000 1.001 808 F HN 0.077 nan 8.300 nan 0.000 0.479 809 S N 0.761 116.637 115.700 0.292 0.000 2.356 809 S HA -0.253 4.216 4.470 -0.001 0.000 0.223 809 S C 2.143 176.784 174.600 0.069 0.000 1.032 809 S CA 1.595 59.898 58.200 0.171 0.000 1.005 809 S CB -0.520 62.778 63.200 0.164 0.000 0.867 809 S HN 0.479 nan 8.310 nan 0.000 0.449 810 M N -0.058 119.602 119.600 0.099 0.000 2.080 810 M HA -0.153 4.327 4.480 -0.001 0.000 0.260 810 M C 1.958 178.345 176.300 0.145 0.000 1.068 810 M CA 1.695 57.074 55.300 0.131 0.000 1.109 810 M CB -0.293 32.404 32.600 0.163 0.000 1.342 810 M HN 0.352 nan 8.290 nan 0.000 0.405 811 F N 0.578 120.520 119.950 -0.013 0.000 2.126 811 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 811 F C 2.302 177.960 175.800 -0.237 0.000 1.096 811 F CA 1.778 59.661 58.000 -0.194 0.000 1.255 811 F CB -0.513 38.361 39.000 -0.210 0.000 0.997 811 F HN 0.172 nan 8.300 nan 0.000 0.479 812 A N -0.206 122.491 122.820 -0.204 0.000 1.930 812 A HA 0.032 4.352 4.320 -0.001 0.000 0.217 812 A C 2.347 179.816 177.584 -0.192 0.000 1.175 812 A CA 1.453 53.330 52.037 -0.267 0.000 0.627 812 A CB -1.378 17.437 19.000 -0.308 0.000 0.815 812 A HN 0.430 nan 8.150 nan 0.000 0.443 813 A N -0.626 122.118 122.820 -0.128 0.000 1.929 813 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 813 A C 2.224 179.735 177.584 -0.122 0.000 1.176 813 A CA 1.623 53.605 52.037 -0.092 0.000 0.628 813 A CB -0.511 18.465 19.000 -0.040 0.000 0.816 813 A HN 0.587 nan 8.150 nan 0.000 0.444 814 M N -0.448 119.050 119.600 -0.170 0.000 2.159 814 M HA -0.091 4.389 4.480 -0.001 0.000 0.263 814 M C 1.687 177.847 176.300 -0.232 0.000 1.063 814 M CA 1.583 56.768 55.300 -0.192 0.000 1.110 814 M CB -0.264 32.176 32.600 -0.266 0.000 1.374 814 M HN 0.412 nan 8.290 nan 0.000 0.411 815 L N -0.206 120.822 121.223 -0.326 0.000 2.156 815 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 815 L C 2.333 179.109 176.870 -0.156 0.000 1.095 815 L CA 0.670 55.337 54.840 -0.289 0.000 0.770 815 L CB -0.607 41.244 42.059 -0.347 0.000 0.914 815 L HN 0.252 nan 8.230 nan 0.000 0.439 816 E N -0.185 119.941 120.200 -0.123 0.000 2.076 816 E HA -0.092 4.258 4.350 -0.001 0.000 0.190 816 E C 2.406 178.993 176.600 -0.022 0.000 0.979 816 E CA 0.947 57.310 56.400 -0.061 0.000 0.807 816 E CB -0.240 29.427 29.700 -0.056 0.000 0.761 816 E HN 0.235 nan 8.360 nan 0.000 0.454 817 S N 1.404 117.078 115.700 -0.043 0.000 2.370 817 S HA -0.168 4.302 4.470 -0.001 0.000 0.226 817 S C 1.872 176.490 174.600 0.031 0.000 1.033 817 S CA 0.970 59.167 58.200 -0.004 0.000 1.011 817 S CB -0.317 62.864 63.200 -0.032 0.000 0.852 817 S HN 0.150 nan 8.310 nan 0.000 0.457 818 L N 2.005 123.213 121.223 -0.025 0.000 1.989 818 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 818 L C 1.950 178.811 176.870 -0.015 0.000 1.071 818 L CA 1.867 56.688 54.840 -0.032 0.000 0.749 818 L CB -0.687 41.323 42.059 -0.082 0.000 0.890 818 L HN 0.151 nan 8.230 nan 0.000 0.431 819 K N -1.770 118.622 120.400 -0.014 0.000 2.026 819 K HA -0.250 4.070 4.320 -0.001 0.000 0.208 819 K C 2.164 178.781 176.600 0.027 0.000 1.048 819 K CA 1.960 58.241 56.287 -0.009 0.000 0.929 819 K CB -0.655 31.838 32.500 -0.011 0.000 0.713 819 K HN 0.328 nan 8.250 nan 0.000 0.439 820 Y N 2.342 122.618 120.300 -0.040 0.000 2.081 820 Y HA -0.300 4.250 4.550 -0.001 0.000 0.280 820 Y C 2.251 178.136 175.900 -0.025 0.000 1.163 820 Y CA 1.704 59.798 58.100 -0.009 0.000 1.135 820 Y CB 0.109 38.565 38.460 -0.007 0.000 0.970 820 Y HN 0.070 nan 8.280 nan 0.000 0.498 821 E N -0.658 119.609 120.200 0.112 0.000 2.107 821 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 821 E C 2.465 179.033 176.600 -0.053 0.000 0.982 821 E CA 1.189 57.603 56.400 0.024 0.000 0.809 821 E CB -0.628 29.105 29.700 0.055 0.000 0.756 821 E HN 0.400 nan 8.360 nan 0.000 0.459 822 V N 2.009 121.895 119.914 -0.046 0.000 2.255 822 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 822 V C 2.353 178.402 176.094 -0.075 0.000 1.051 822 V CA 1.372 63.632 62.300 -0.066 0.000 1.018 822 V CB -0.389 31.393 31.823 -0.067 0.000 0.641 822 V HN 0.215 nan 8.190 nan 0.000 0.445 823 I N 0.094 120.614 120.570 -0.084 0.000 2.394 823 I HA -0.163 4.007 4.170 -0.001 0.000 0.251 823 I C 2.667 178.760 176.117 -0.039 0.000 1.136 823 I CA 1.852 63.118 61.300 -0.056 0.000 1.425 823 I CB -1.389 36.565 38.000 -0.077 0.000 1.079 823 I HN 0.396 nan 8.210 nan 0.000 0.425 824 S N 0.333 115.892 115.700 -0.236 0.000 2.383 824 S HA -0.144 4.326 4.470 -0.001 0.000 0.227 824 S C 2.086 176.559 174.600 -0.211 0.000 1.026 824 S CA 2.007 59.900 58.200 -0.512 0.000 0.981 824 S CB -0.167 62.601 63.200 -0.719 0.000 0.818 824 S HN 0.452 nan 8.310 nan 0.000 0.472 825 T N 2.825 117.320 114.554 -0.099 0.000 2.708 825 T HA 0.043 4.392 4.350 -0.001 0.000 0.266 825 T C 1.716 176.489 174.700 0.121 0.000 1.037 825 T CA 1.477 63.583 62.100 0.011 0.000 1.146 825 T CB -0.374 68.497 68.868 0.005 0.000 0.865 825 T HN 0.329 nan 8.240 nan 0.000 0.435 826 L N 0.691 121.991 121.223 0.127 0.000 2.141 826 L HA -0.051 4.289 4.340 -0.001 0.000 0.209 826 L C 2.847 179.882 176.870 0.275 0.000 1.094 826 L CA 0.796 55.799 54.840 0.271 0.000 0.763 826 L CB -0.556 41.586 42.059 0.138 0.000 0.908 826 L HN 0.228 nan 8.230 nan 0.000 0.437 827 S N 0.010 115.813 115.700 0.171 0.000 2.368 827 S HA -0.158 4.311 4.470 -0.001 0.000 0.225 827 S C 1.777 176.475 174.600 0.163 0.000 1.030 827 S CA 1.374 59.700 58.200 0.211 0.000 0.999 827 S CB -0.066 63.316 63.200 0.305 0.000 0.844 827 S HN 0.383 nan 8.310 nan 0.000 0.459 828 K N 0.785 121.240 120.400 0.092 0.000 2.374 828 K HA 0.236 4.556 4.320 -0.001 0.000 0.196 828 K C 0.093 176.739 176.600 0.077 0.000 1.023 828 K CA -0.116 56.206 56.287 0.058 0.000 1.103 828 K CB 0.389 32.885 32.500 -0.007 0.000 0.848 828 K HN 0.113 nan 8.250 nan 0.000 0.528 829 V N 3.008 122.997 119.914 0.125 0.000 2.557 829 V HA -0.074 4.046 4.120 -0.001 0.000 0.301 829 V C -0.036 176.075 176.094 0.029 0.000 1.026 829 V CA 0.198 62.553 62.300 0.092 0.000 1.137 829 V CB 0.582 32.478 31.823 0.123 0.000 0.917 829 V HN 0.242 nan 8.190 nan 0.000 0.484 830 Q N 4.950 124.749 119.800 -0.001 0.000 2.314 830 Q HA 0.445 4.784 4.340 -0.001 0.000 0.258 830 Q C -0.736 175.234 176.000 -0.049 0.000 0.954 830 Q CA -0.101 55.694 55.803 -0.014 0.000 0.890 830 Q CB 1.776 30.507 28.738 -0.012 0.000 1.210 830 Q HN 0.623 nan 8.270 nan 0.000 0.410 831 V N 3.132 123.021 119.914 -0.043 0.000 2.623 831 V HA 0.261 4.381 4.120 -0.001 0.000 0.304 831 V C 0.063 176.133 176.094 -0.041 0.000 1.054 831 V CA -0.957 61.306 62.300 -0.062 0.000 0.882 831 V CB 2.084 33.861 31.823 -0.078 0.000 1.002 831 V HN 0.667 nan 8.190 nan 0.000 0.424 832 R N 5.992 126.467 120.500 -0.042 0.000 2.457 832 R HA 0.152 4.491 4.340 -0.001 0.000 0.335 832 R C -0.655 175.627 176.300 -0.030 0.000 1.003 832 R CA -0.082 56.000 56.100 -0.030 0.000 1.003 832 R CB 0.270 30.552 30.300 -0.030 0.000 0.950 832 R HN 0.600 nan 8.270 nan 0.000 0.428 833 M N 7.764 127.350 119.600 -0.022 0.000 2.105 833 M HA 0.233 4.712 4.480 -0.001 0.000 0.350 833 M C -1.564 174.726 176.300 -0.017 0.000 1.308 833 M CA -2.368 52.920 55.300 -0.020 0.000 1.108 833 M CB 0.668 33.260 32.600 -0.013 0.000 1.622 833 M HN 0.265 nan 8.290 nan 0.000 0.468 834 P HA -0.059 nan 4.420 nan 0.000 0.219 834 P C 0.096 177.390 177.300 -0.011 0.000 1.146 834 P CA 1.280 64.372 63.100 -0.014 0.000 0.808 834 P CB 0.490 32.180 31.700 -0.016 0.000 0.779 835 E N -2.301 117.893 120.200 -0.010 0.000 2.442 835 E HA 0.276 4.626 4.350 -0.001 0.000 0.278 835 E C -1.258 175.339 176.600 -0.005 0.000 1.082 835 E CA -0.698 55.699 56.400 -0.006 0.000 0.861 835 E CB 1.182 30.879 29.700 -0.006 0.000 1.462 835 E HN -0.265 nan 8.360 nan 0.000 0.458 836 E N 0.000 120.199 120.200 -0.001 0.000 2.725 836 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 836 E CA 0.000 56.401 56.400 0.001 0.000 0.976 836 E CB 0.000 29.703 29.700 0.005 0.000 0.812 836 E HN 0.000 nan 8.360 nan 0.000 0.440