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 1xez_1_A DATA FIRST_RESID 21 DATA SEQUENCE AIKYYNAADW QAXXXXLPSL AELRDLVINQ QKRVLVDFSQ ISDAEGQAEM DATA SEQUENCE QAQFRKAYGV GFANQFIVIT EHKGELLFTP FDRTEXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXETNTLP HVAFYISVNR AISDEEcTFN NSWLWKNEKG DATA SEQUENCE SRPFcKDANI SLIYRVNLER SLQYGIVGSA TPDAKIVRIS LDDDSTGAGI DATA SEQUENCE HLNDQLGYRQ FGASYTTLDA YFREWSTDAI AQDYRFVFNA SNNKAQILKT DATA SEQUENCE FPVDNINEKF ERKEVSGFEL GVTGGVEVSG DGPKAKLEAR ASYTQSRWLT DATA SEQUENCE YNTQDYRIER NAKNAQAVSF TWNRQQYATA ESLLNRSTDA LWVNTYPVDV DATA SEQUENCE NRISPLSYAS FVPKMDVIYK ASATETGSTD FIIDSSVNIR PIYNGAYKHY DATA SEQUENCE YVVGAHQSYH GFEDTPRRRI TKSASFTVDW DHPVFTGGRP VNLQLASFNN DATA SEQUENCE RcIQVDAQGR LTANMcDSQQ SAQSFIYDQL GRYVSASNTK LcLDGAALDA DATA SEQUENCE LQPcNQNLTQ RWEWRKGTDE LTNVYSGESL GHDKQTGELG LYASSNDAVS DATA SEQUENCE LRTITAYTDV FNAQESSPIL GYTQGKMNQQ RVGQDNRLYV RAGAAIDALG DATA SEQUENCE SASDLLVGGN GGSLSSVDLS GVKSITATSG DFQYGGQQLV ALTFTYQDGR DATA SEQUENCE QQTVGSKAYV TNAHEDRFDL PDAAKITQLK IWADDWLVKG VQFDLN 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.616 177.584 0.053 0.000 1.274 21 A CA 0.000 52.056 52.037 0.032 0.000 0.836 21 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 22 I N 0.503 121.111 120.570 0.064 0.000 2.396 22 I HA 0.793 4.963 4.170 -0.001 0.000 0.289 22 I C 0.605 176.806 176.117 0.139 0.000 1.056 22 I CA 0.044 61.405 61.300 0.102 0.000 1.365 22 I CB 0.083 nan 38.000 nan 0.000 1.407 22 I HN 1.286 nan 8.210 nan 0.000 0.509 23 K N 5.698 126.211 120.400 0.189 0.000 2.231 23 K HA 0.494 4.813 4.320 -0.001 0.000 0.275 23 K C -0.508 176.298 176.600 0.343 0.000 1.105 23 K CA -0.548 55.886 56.287 0.245 0.000 0.931 23 K CB -0.004 32.712 32.500 0.360 0.000 1.296 23 K HN 1.137 nan 8.250 nan 0.000 0.446 24 Y N 1.924 122.264 120.300 0.066 0.000 2.411 24 Y HA 0.445 4.994 4.550 -0.001 0.000 0.333 24 Y C -0.850 174.977 175.900 -0.121 0.000 1.186 24 Y CA 0.011 58.153 58.100 0.070 0.000 1.381 24 Y CB 0.568 39.022 38.460 -0.011 0.000 1.273 24 Y HN 0.594 nan 8.280 nan 0.000 0.546 25 Y N 3.979 123.730 120.300 -0.915 0.000 2.433 25 Y HA 0.223 4.772 4.550 -0.001 0.000 0.337 25 Y C -0.580 174.690 175.900 -1.049 0.000 1.026 25 Y CA -1.432 56.221 58.100 -0.745 0.000 1.037 25 Y CB 1.364 39.660 38.460 -0.274 0.000 1.245 25 Y HN 0.595 nan 8.280 nan 0.000 0.443 26 N N 2.151 120.448 118.700 -0.671 0.000 2.527 26 N HA 0.284 5.024 4.740 -0.001 0.000 0.236 26 N C 0.686 175.897 175.510 -0.499 0.000 0.999 26 N CA 0.297 53.094 53.050 -0.422 0.000 0.935 26 N CB 1.590 40.005 38.487 -0.120 0.000 1.132 26 N HN 0.931 nan 8.380 nan 0.000 0.511 27 A N 3.671 126.220 122.820 -0.451 0.000 2.042 27 A HA -0.206 4.114 4.320 -0.001 0.000 0.222 27 A C 2.059 179.545 177.584 -0.164 0.000 1.167 27 A CA 2.055 53.904 52.037 -0.313 0.000 0.649 27 A CB -0.533 18.020 19.000 -0.745 0.000 0.809 27 A HN 0.725 nan 8.150 nan 0.000 0.457 28 A N -0.090 122.626 122.820 -0.174 0.000 2.019 28 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 28 A C 1.647 179.175 177.584 -0.093 0.000 1.164 28 A CA 1.701 53.691 52.037 -0.079 0.000 0.644 28 A CB -0.460 18.508 19.000 -0.054 0.000 0.805 28 A HN 0.529 nan 8.150 nan 0.000 0.449 29 D N -0.832 119.427 120.400 -0.234 0.000 2.178 29 D HA -0.138 4.501 4.640 -0.001 0.000 0.202 29 D C 1.168 177.377 176.300 -0.151 0.000 0.974 29 D CA 0.708 54.553 54.000 -0.258 0.000 0.841 29 D CB -0.296 40.237 40.800 -0.445 0.000 0.953 29 D HN 0.734 nan 8.370 nan 0.000 0.478 30 W N 1.662 122.964 121.300 0.003 0.000 3.204 30 W HA 0.090 4.750 4.660 -0.001 0.000 0.249 30 W C 1.269 177.795 176.519 0.012 0.000 1.322 30 W CA -0.041 57.313 57.345 0.013 0.000 1.593 30 W CB -0.576 28.895 29.460 0.018 0.000 1.122 30 W HN 0.187 nan 8.180 nan 0.000 0.710 31 Q N 0.120 120.024 119.800 0.175 0.000 2.515 31 Q HA 0.101 4.440 4.340 -0.001 0.000 0.212 31 Q C 1.406 177.465 176.000 0.098 0.000 0.970 31 Q CA 0.072 55.948 55.803 0.121 0.000 0.941 31 Q CB -0.027 28.757 28.738 0.077 0.000 0.998 31 Q HN 0.035 nan 8.270 nan 0.000 0.518 38 P HA 0.298 nan 4.420 nan 0.000 0.264 38 P C -0.547 176.718 177.300 -0.058 0.000 1.183 38 P CA 0.028 63.053 63.100 -0.126 0.000 0.763 38 P CB 0.573 32.223 31.700 -0.083 0.000 0.807 39 S N 2.320 118.003 115.700 -0.028 0.000 2.617 39 S HA 0.047 4.517 4.470 -0.001 0.000 0.259 39 S C 1.086 175.771 174.600 0.143 0.000 1.301 39 S CA -0.594 57.607 58.200 0.001 0.000 0.984 39 S CB 0.264 63.450 63.200 -0.024 0.000 0.954 39 S HN 0.365 nan 8.310 nan 0.000 0.572 40 L N 1.617 122.936 121.223 0.160 0.000 2.017 40 L HA 0.055 4.395 4.340 -0.001 0.000 0.208 40 L C 2.697 179.589 176.870 0.035 0.000 1.073 40 L CA 2.515 57.464 54.840 0.181 0.000 0.745 40 L CB -1.725 40.429 42.059 0.158 0.000 0.894 40 L HN 0.939 nan 8.230 nan 0.000 0.432 41 A N -0.759 122.074 122.820 0.021 0.000 1.948 41 A HA -0.261 4.059 4.320 -0.001 0.000 0.220 41 A C 2.129 179.705 177.584 -0.014 0.000 1.177 41 A CA 2.028 54.064 52.037 -0.001 0.000 0.636 41 A CB -0.681 18.319 19.000 0.000 0.000 0.815 41 A HN 0.675 nan 8.150 nan 0.000 0.449 42 E N -0.863 119.332 120.200 -0.010 0.000 2.047 42 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 42 E C 1.988 178.557 176.600 -0.051 0.000 0.987 42 E CA 1.196 57.586 56.400 -0.017 0.000 0.799 42 E CB -0.303 29.393 29.700 -0.007 0.000 0.752 42 E HN 0.526 nan 8.360 nan 0.000 0.449 43 L N 1.628 122.792 121.223 -0.097 0.000 2.017 43 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 43 L C 2.146 178.924 176.870 -0.153 0.000 1.073 43 L CA 1.700 56.424 54.840 -0.193 0.000 0.745 43 L CB -0.227 41.581 42.059 -0.418 0.000 0.894 43 L HN -0.087 nan 8.230 nan 0.000 0.432 44 R N -0.396 120.034 120.500 -0.116 0.000 2.096 44 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 44 R C 2.021 178.288 176.300 -0.054 0.000 1.127 44 R CA 1.558 57.609 56.100 -0.082 0.000 0.968 44 R CB -0.677 29.593 30.300 -0.049 0.000 0.861 44 R HN 0.530 nan 8.270 nan 0.000 0.440 45 D N 0.667 121.042 120.400 -0.041 0.000 2.117 45 D HA -0.163 4.476 4.640 -0.001 0.000 0.197 45 D C 1.749 178.036 176.300 -0.021 0.000 0.987 45 D CA 0.717 54.703 54.000 -0.023 0.000 0.829 45 D CB 0.073 40.865 40.800 -0.013 0.000 0.961 45 D HN 0.061 nan 8.370 nan 0.000 0.460 46 L N -0.344 120.862 121.223 -0.028 0.000 2.156 46 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 46 L C 1.968 178.824 176.870 -0.022 0.000 1.095 46 L CA 1.225 56.056 54.840 -0.014 0.000 0.770 46 L CB -0.135 41.916 42.059 -0.012 0.000 0.914 46 L HN 0.052 nan 8.230 nan 0.000 0.439 47 V N -0.933 118.950 119.914 -0.052 0.000 2.575 47 V HA -0.063 4.057 4.120 -0.001 0.000 0.242 47 V C 2.229 178.298 176.094 -0.040 0.000 1.045 47 V CA 1.507 63.774 62.300 -0.055 0.000 1.065 47 V CB 0.046 31.805 31.823 -0.105 0.000 0.717 47 V HN 0.314 nan 8.190 nan 0.000 0.467 48 I N 0.180 120.727 120.570 -0.039 0.000 2.429 48 I HA -0.054 4.115 4.170 -0.001 0.000 0.247 48 I C 2.217 178.324 176.117 -0.017 0.000 1.099 48 I CA 0.944 62.228 61.300 -0.025 0.000 1.422 48 I CB -0.339 37.648 38.000 -0.022 0.000 1.112 48 I HN 0.292 nan 8.210 nan 0.000 0.430 49 N N 0.849 119.540 118.700 -0.015 0.000 2.207 49 N HA -0.115 4.624 4.740 -0.001 0.000 0.182 49 N C 1.484 176.991 175.510 -0.005 0.000 1.020 49 N CA 1.121 54.166 53.050 -0.009 0.000 0.858 49 N CB -0.149 38.334 38.487 -0.007 0.000 0.991 49 N HN 0.458 nan 8.380 nan 0.000 0.427 50 Q N 0.769 120.568 119.800 -0.003 0.000 2.320 50 Q HA 0.148 4.487 4.340 -0.001 0.000 0.201 50 Q C -0.427 175.576 176.000 0.004 0.000 0.910 50 Q CA -0.151 55.654 55.803 0.004 0.000 0.946 50 Q CB 0.410 29.155 28.738 0.013 0.000 1.062 50 Q HN 0.102 nan 8.270 nan 0.000 0.503 51 Q N -0.586 119.212 119.800 -0.003 0.000 2.416 51 Q HA -0.210 4.129 4.340 -0.001 0.000 0.319 51 Q C -0.380 175.623 176.000 0.005 0.000 1.318 51 Q CA 1.721 57.522 55.803 -0.003 0.000 0.915 51 Q CB -2.189 26.547 28.738 -0.003 0.000 1.184 51 Q HN 0.495 nan 8.270 nan 0.000 0.444 52 K N -0.197 120.209 120.400 0.009 0.000 2.211 52 K HA 0.737 5.056 4.320 -0.001 0.000 0.275 52 K C 0.272 176.887 176.600 0.025 0.000 1.024 52 K CA 0.266 56.570 56.287 0.028 0.000 0.887 52 K CB 0.543 33.072 32.500 0.047 0.000 1.084 52 K HN 0.502 nan 8.250 nan 0.000 0.463 53 R N 1.364 121.887 120.500 0.038 0.000 2.234 53 R HA 0.592 4.931 4.340 -0.001 0.000 0.324 53 R C -0.241 176.107 176.300 0.081 0.000 1.054 53 R CA -0.294 55.830 56.100 0.040 0.000 0.912 53 R CB 0.182 30.505 30.300 0.037 0.000 1.030 53 R HN 0.663 nan 8.270 nan 0.000 0.455 54 V N 2.999 122.954 119.914 0.069 0.000 2.630 54 V HA 0.619 4.738 4.120 -0.001 0.000 0.305 54 V C -0.003 176.189 176.094 0.163 0.000 1.046 54 V CA -0.931 61.443 62.300 0.122 0.000 0.934 54 V CB 1.834 33.673 31.823 0.027 0.000 1.003 54 V HN 0.800 nan 8.190 nan 0.000 0.451 55 L N 4.601 125.966 121.223 0.236 0.000 2.406 55 L HA 0.621 4.960 4.340 -0.001 0.000 0.270 55 L C -1.147 175.852 176.870 0.215 0.000 0.982 55 L CA -0.400 54.595 54.840 0.259 0.000 0.843 55 L CB 1.626 43.871 42.059 0.309 0.000 1.225 55 L HN 0.475 nan 8.230 nan 0.000 0.412 56 V N 3.340 123.399 119.914 0.241 0.000 2.407 56 V HA 0.361 4.480 4.120 -0.001 0.000 0.278 56 V C -0.276 175.941 176.094 0.204 0.000 1.037 56 V CA -0.501 61.923 62.300 0.207 0.000 0.900 56 V CB 1.468 33.537 31.823 0.411 0.000 0.983 56 V HN 0.618 nan 8.190 nan 0.000 0.459 57 D N 2.907 123.308 120.400 0.001 0.000 2.303 57 D HA 0.390 5.030 4.640 -0.001 0.000 0.236 57 D C -0.240 176.000 176.300 -0.100 0.000 1.068 57 D CA -0.337 53.748 54.000 0.142 0.000 0.830 57 D CB 1.555 42.525 40.800 0.283 0.000 1.109 57 D HN 0.364 nan 8.370 nan 0.000 0.496 58 F N 0.935 120.801 119.950 -0.140 0.000 2.706 58 F HA 0.019 4.545 4.527 -0.001 0.000 0.308 58 F C 2.409 178.115 175.800 -0.157 0.000 1.095 58 F CA -0.130 57.794 58.000 -0.127 0.000 1.244 58 F CB 0.280 39.180 39.000 -0.167 0.000 1.063 58 F HN 0.340 nan 8.300 nan 0.000 0.582 59 S N -0.771 114.877 115.700 -0.087 0.000 2.603 59 S HA -0.078 4.392 4.470 -0.001 0.000 0.229 59 S C 1.521 176.129 174.600 0.014 0.000 0.972 59 S CA 0.486 58.630 58.200 -0.095 0.000 0.935 59 S CB -0.159 62.920 63.200 -0.201 0.000 0.769 59 S HN 0.268 nan 8.310 nan 0.000 0.536 60 Q N 0.691 120.513 119.800 0.037 0.000 2.402 60 Q HA 0.375 4.715 4.340 -0.001 0.000 0.206 60 Q C 0.621 176.636 176.000 0.025 0.000 0.919 60 Q CA 0.001 55.830 55.803 0.043 0.000 0.923 60 Q CB -0.147 28.624 28.738 0.055 0.000 1.048 60 Q HN 0.619 nan 8.270 nan 0.000 0.515 61 I N 2.255 122.839 120.570 0.023 0.000 2.775 61 I HA -0.146 4.024 4.170 -0.001 0.000 0.290 61 I C 1.677 177.811 176.117 0.028 0.000 1.203 61 I CA 0.214 61.532 61.300 0.030 0.000 1.433 61 I CB 0.710 38.743 38.000 0.056 0.000 1.354 61 I HN 0.129 nan 8.210 nan 0.000 0.579 62 S N 3.658 119.373 115.700 0.025 0.000 2.406 62 S HA -0.070 4.399 4.470 -0.001 0.000 0.228 62 S C 0.340 174.953 174.600 0.021 0.000 1.020 62 S CA 0.529 58.742 58.200 0.022 0.000 0.965 62 S CB -0.193 63.018 63.200 0.019 0.000 0.798 62 S HN 0.817 nan 8.310 nan 0.000 0.488 63 D N -0.847 119.568 120.400 0.024 0.000 2.610 63 D HA 0.625 5.265 4.640 -0.001 0.000 0.271 63 D C 0.909 177.224 176.300 0.024 0.000 1.174 63 D CA -0.294 53.718 54.000 0.021 0.000 0.949 63 D CB 1.199 42.011 40.800 0.019 0.000 1.430 63 D HN 0.066 nan 8.370 nan 0.000 0.467 64 A N 0.148 122.979 122.820 0.018 0.000 1.883 64 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 64 A C 2.191 179.788 177.584 0.023 0.000 1.186 64 A CA 3.214 55.260 52.037 0.016 0.000 0.624 64 A CB -1.616 17.389 19.000 0.008 0.000 0.822 64 A HN 0.812 nan 8.150 nan 0.000 0.444 65 E N -0.894 119.319 120.200 0.023 0.000 2.058 65 E HA -0.080 4.270 4.350 -0.001 0.000 0.194 65 E C 2.391 179.014 176.600 0.039 0.000 0.997 65 E CA 1.985 58.401 56.400 0.026 0.000 0.801 65 E CB -1.734 27.980 29.700 0.023 0.000 0.746 65 E HN 0.765 nan 8.360 nan 0.000 0.450 66 G N -0.243 108.583 108.800 0.043 0.000 2.422 66 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 66 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 66 G C 1.867 176.817 174.900 0.084 0.000 1.146 66 G CA 1.023 46.158 45.100 0.059 0.000 0.769 66 G HN 0.548 nan 8.290 nan 0.000 0.547 67 Q N -0.045 119.802 119.800 0.079 0.000 2.083 67 Q HA 0.068 4.408 4.340 -0.001 0.000 0.198 67 Q C 3.034 179.092 176.000 0.097 0.000 0.969 67 Q CA 1.029 56.898 55.803 0.110 0.000 0.838 67 Q CB -0.198 28.583 28.738 0.070 0.000 0.900 67 Q HN 0.475 nan 8.270 nan 0.000 0.436 68 A N 0.991 123.843 122.820 0.055 0.000 1.933 68 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 68 A C 1.922 179.541 177.584 0.058 0.000 1.175 68 A CA 1.718 53.777 52.037 0.037 0.000 0.628 68 A CB -0.405 18.607 19.000 0.020 0.000 0.814 68 A HN 0.287 nan 8.150 nan 0.000 0.444 69 E N -0.351 119.891 120.200 0.070 0.000 2.031 69 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 69 E C 1.954 178.622 176.600 0.113 0.000 0.994 69 E CA 1.681 58.126 56.400 0.075 0.000 0.800 69 E CB -0.328 29.414 29.700 0.069 0.000 0.752 69 E HN 0.402 nan 8.360 nan 0.000 0.447 70 M N 0.379 120.080 119.600 0.169 0.000 2.117 70 M HA -0.109 4.371 4.480 -0.001 0.000 0.262 70 M C 2.213 178.720 176.300 0.346 0.000 1.065 70 M CA 1.579 57.039 55.300 0.266 0.000 1.114 70 M CB -1.140 31.652 32.600 0.320 0.000 1.361 70 M HN 0.233 nan 8.290 nan 0.000 0.408 71 Q N -0.286 119.668 119.800 0.256 0.000 2.135 71 Q HA -0.120 4.219 4.340 -0.001 0.000 0.204 71 Q C 2.169 178.245 176.000 0.127 0.000 0.981 71 Q CA 1.803 57.678 55.803 0.119 0.000 0.856 71 Q CB -0.341 28.375 28.738 -0.036 0.000 0.902 71 Q HN 0.588 nan 8.270 nan 0.000 0.425 72 A N 0.770 123.646 122.820 0.093 0.000 1.930 72 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 72 A C 1.937 179.547 177.584 0.043 0.000 1.175 72 A CA 1.226 53.294 52.037 0.053 0.000 0.627 72 A CB -0.308 18.712 19.000 0.033 0.000 0.815 72 A HN 0.315 nan 8.150 nan 0.000 0.443 73 Q N -1.973 117.865 119.800 0.063 0.000 2.123 73 Q HA -0.095 4.245 4.340 -0.001 0.000 0.199 73 Q C 1.850 177.801 176.000 -0.081 0.000 0.966 73 Q CA 1.372 57.164 55.803 -0.019 0.000 0.845 73 Q CB -0.229 28.506 28.738 -0.006 0.000 0.907 73 Q HN 0.739 nan 8.270 nan 0.000 0.439 74 F N 2.037 121.942 119.950 -0.075 0.000 2.102 74 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 74 F C 2.336 178.031 175.800 -0.175 0.000 1.105 74 F CA 1.803 59.757 58.000 -0.077 0.000 1.239 74 F CB -0.005 39.145 39.000 0.249 0.000 0.991 74 F HN -0.066 nan 8.300 nan 0.000 0.474 75 R N 0.444 121.057 120.500 0.188 0.000 2.153 75 R HA -0.070 4.270 4.340 -0.001 0.000 0.218 75 R C 2.233 178.496 176.300 -0.062 0.000 1.072 75 R CA 1.363 57.497 56.100 0.057 0.000 0.990 75 R CB -0.795 29.535 30.300 0.050 0.000 0.889 75 R HN 0.289 nan 8.270 nan 0.000 0.452 76 K N 1.149 121.491 120.400 -0.096 0.000 2.148 76 K HA -0.041 4.278 4.320 -0.001 0.000 0.204 76 K C 1.932 178.403 176.600 -0.216 0.000 1.050 76 K CA 1.317 57.538 56.287 -0.111 0.000 0.942 76 K CB -0.086 32.347 32.500 -0.112 0.000 0.724 76 K HN 0.281 nan 8.250 nan 0.000 0.446 77 A N -0.064 122.491 122.820 -0.442 0.000 1.975 77 A HA -0.038 4.281 4.320 -0.001 0.000 0.215 77 A C 0.953 178.177 177.584 -0.599 0.000 1.170 77 A CA 0.719 52.350 52.037 -0.676 0.000 0.656 77 A CB -0.213 18.089 19.000 -1.164 0.000 0.821 77 A HN 0.412 nan 8.150 nan 0.000 0.449 78 Y N -1.542 118.626 120.300 -0.221 0.000 2.481 78 Y HA 0.418 4.967 4.550 -0.001 0.000 0.247 78 Y C 1.762 177.572 175.900 -0.150 0.000 1.151 78 Y CA -0.544 57.430 58.100 -0.210 0.000 1.238 78 Y CB -0.195 38.035 38.460 -0.384 0.000 1.179 78 Y HN 0.388 nan 8.280 nan 0.000 0.524 79 G N 0.255 109.067 108.800 0.020 0.000 2.179 79 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.260 79 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.260 79 G C -0.191 174.611 174.900 -0.162 0.000 0.977 79 G CA 0.400 45.454 45.100 -0.076 0.000 0.641 79 G HN 0.376 nan 8.290 nan 0.000 0.533 80 V N -0.449 119.322 119.914 -0.239 0.000 2.932 80 V HA 0.874 4.994 4.120 -0.001 0.000 0.307 80 V C 0.165 176.075 176.094 -0.306 0.000 1.147 80 V CA 0.566 62.620 62.300 -0.409 0.000 0.951 80 V CB 2.012 33.216 31.823 -1.032 0.000 1.031 80 V HN 1.370 nan 8.190 nan 0.000 0.426 81 G N 3.720 112.255 108.800 -0.442 0.000 2.658 81 G HA2 0.856 4.816 3.960 -0.001 0.000 0.292 81 G HA3 0.856 4.816 3.960 -0.001 0.000 0.292 81 G C -1.894 172.507 174.900 -0.831 0.000 1.320 81 G CA -0.637 44.242 45.100 -0.368 0.000 0.933 81 G HN 0.612 nan 8.290 nan 0.000 0.476 82 F N -1.413 118.366 119.950 -0.286 0.000 2.643 82 F HA 0.635 5.162 4.527 -0.001 0.000 0.314 82 F C 0.793 176.388 175.800 -0.341 0.000 1.096 82 F CA -0.481 57.359 58.000 -0.266 0.000 0.953 82 F CB 2.303 41.130 39.000 -0.290 0.000 1.345 82 F HN 0.601 nan 8.300 nan 0.000 0.468 83 A N 0.218 123.009 122.820 -0.048 0.000 2.343 83 A HA 0.285 4.605 4.320 -0.001 0.000 0.223 83 A C 0.137 177.619 177.584 -0.169 0.000 1.214 83 A CA -0.139 51.819 52.037 -0.132 0.000 0.900 83 A CB -0.804 18.149 19.000 -0.079 0.000 0.942 83 A HN 0.774 nan 8.150 nan 0.000 0.507 84 N N 0.555 119.163 118.700 -0.154 0.000 2.453 84 N HA 0.158 4.898 4.740 -0.001 0.000 0.253 84 N C 0.813 176.107 175.510 -0.360 0.000 1.252 84 N CA -0.177 52.752 53.050 -0.202 0.000 0.917 84 N CB 0.464 38.861 38.487 -0.150 0.000 1.117 84 N HN 0.119 nan 8.380 nan 0.000 0.442 85 Q N 0.332 119.887 119.800 -0.408 0.000 2.172 85 Q HA 0.079 4.419 4.340 -0.001 0.000 0.200 85 Q C -0.388 175.059 176.000 -0.922 0.000 0.964 85 Q CA 1.272 56.674 55.803 -0.667 0.000 0.855 85 Q CB 0.024 28.246 28.738 -0.861 0.000 0.918 85 Q HN 0.507 nan 8.270 nan 0.000 0.444 86 F N -0.347 119.351 119.950 -0.420 0.000 2.551 86 F HA 0.503 5.030 4.527 -0.001 0.000 0.316 86 F C -0.150 175.306 175.800 -0.573 0.000 1.089 86 F CA -1.071 56.566 58.000 -0.604 0.000 0.915 86 F CB 1.572 39.741 39.000 -1.385 0.000 1.186 86 F HN -0.260 nan 8.300 nan 0.000 0.456 87 I N 3.540 124.097 120.570 -0.021 0.000 2.468 87 I HA 0.335 4.505 4.170 -0.001 0.000 0.284 87 I C -1.112 175.137 176.117 0.221 0.000 1.038 87 I CA -0.784 60.533 61.300 0.029 0.000 1.083 87 I CB 1.752 39.736 38.000 -0.027 0.000 1.223 87 I HN 0.190 nan 8.210 nan 0.000 0.443 88 V N 7.228 127.318 119.914 0.294 0.000 2.465 88 V HA 0.415 4.535 4.120 -0.001 0.000 0.279 88 V C 0.175 176.335 176.094 0.111 0.000 1.045 88 V CA -0.194 62.256 62.300 0.249 0.000 0.938 88 V CB 1.655 33.642 31.823 0.272 0.000 0.986 88 V HN 0.459 nan 8.190 nan 0.000 0.467 89 I N 5.394 125.982 120.570 0.031 0.000 2.410 89 I HA 0.540 4.709 4.170 -0.001 0.000 0.286 89 I C 0.286 176.327 176.117 -0.126 0.000 1.009 89 I CA -0.168 61.037 61.300 -0.158 0.000 1.111 89 I CB 1.874 39.733 38.000 -0.235 0.000 1.262 89 I HN 0.754 nan 8.210 nan 0.000 0.443 90 T N 1.018 115.488 114.554 -0.139 0.000 2.742 90 T HA 0.474 4.823 4.350 -0.001 0.000 0.282 90 T C -0.616 174.039 174.700 -0.074 0.000 1.025 90 T CA -0.810 61.244 62.100 -0.078 0.000 1.020 90 T CB 2.476 71.322 68.868 -0.038 0.000 1.317 90 T HN 0.451 nan 8.240 nan 0.000 0.538 91 E N 0.343 120.527 120.200 -0.027 0.000 2.204 91 E HA 0.389 4.739 4.350 -0.001 0.000 0.276 91 E C -1.717 174.924 176.600 0.069 0.000 0.974 91 E CA -0.478 55.926 56.400 0.007 0.000 0.815 91 E CB 1.288 30.983 29.700 -0.008 0.000 1.119 91 E HN 0.856 nan 8.360 nan 0.000 0.393 92 H N 3.524 122.561 119.070 -0.055 0.000 3.128 92 H HA 0.200 4.756 4.556 -0.001 0.000 0.336 92 H C -0.774 174.472 175.328 -0.138 0.000 1.026 92 H CA -0.440 55.514 56.048 -0.157 0.000 1.376 92 H CB 0.469 30.055 29.762 -0.293 0.000 1.882 92 H HN 0.423 nan 8.280 nan 0.000 0.479 93 K N 3.915 124.007 120.400 -0.514 0.000 3.071 93 K HA -0.189 4.131 4.320 -0.001 0.000 0.262 93 K C 0.954 177.518 176.600 -0.060 0.000 0.977 93 K CA 1.227 57.313 56.287 -0.335 0.000 0.721 93 K CB -1.942 30.279 32.500 -0.464 0.000 1.293 93 K HN 1.329 nan 8.250 nan 0.000 0.475 94 G N -0.766 108.017 108.800 -0.029 0.000 2.162 94 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.260 94 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.260 94 G C -0.073 174.867 174.900 0.066 0.000 0.976 94 G CA 0.837 45.948 45.100 0.019 0.000 0.655 94 G HN 0.406 nan 8.290 nan 0.000 0.533 95 E N -0.931 119.352 120.200 0.139 0.000 2.423 95 E HA 0.613 4.962 4.350 -0.001 0.000 0.269 95 E C 0.346 177.047 176.600 0.169 0.000 0.948 95 E CA -1.016 55.489 56.400 0.175 0.000 0.802 95 E CB 1.058 30.919 29.700 0.268 0.000 1.339 95 E HN 0.190 nan 8.360 nan 0.000 0.445 96 L N 1.212 122.506 121.223 0.118 0.000 2.397 96 L HA 0.231 4.571 4.340 -0.001 0.000 0.271 96 L C 0.016 176.911 176.870 0.042 0.000 1.148 96 L CA -0.524 54.278 54.840 -0.064 0.000 0.825 96 L CB 0.094 41.989 42.059 -0.274 0.000 1.117 96 L HN 0.223 nan 8.230 nan 0.000 0.456 97 L N 3.505 124.656 121.223 -0.120 0.000 2.319 97 L HA 0.500 4.839 4.340 -0.001 0.000 0.281 97 L C -1.095 175.681 176.870 -0.156 0.000 1.005 97 L CA 0.170 55.037 54.840 0.045 0.000 0.828 97 L CB 0.953 43.039 42.059 0.046 0.000 1.227 97 L HN 0.174 nan 8.230 nan 0.000 0.415 98 F N 2.949 123.017 119.950 0.197 0.000 2.410 98 F HA 0.514 5.041 4.527 -0.001 0.000 0.349 98 F C 0.622 176.459 175.800 0.063 0.000 1.117 98 F CA -0.368 57.691 58.000 0.098 0.000 1.104 98 F CB 1.820 40.886 39.000 0.111 0.000 1.122 98 F HN 0.360 nan 8.300 nan 0.000 0.483 99 T N 5.360 120.018 114.554 0.175 0.000 3.155 99 T HA 0.284 4.634 4.350 -0.001 0.000 0.384 99 T C -2.673 172.164 174.700 0.228 0.000 1.351 99 T CA -1.367 60.836 62.100 0.172 0.000 1.198 99 T CB 0.624 69.570 68.868 0.130 0.000 1.106 99 T HN 0.232 nan 8.240 nan 0.000 0.564 100 P HA 0.656 nan 4.420 nan 0.000 0.284 100 P C -1.090 176.412 177.300 0.337 0.000 1.258 100 P CA -0.576 62.547 63.100 0.038 0.000 0.824 100 P CB 1.015 32.536 31.700 -0.297 0.000 1.038 101 F N -0.975 119.023 119.950 0.081 0.000 2.693 101 F HA 0.486 5.012 4.527 -0.001 0.000 0.309 101 F C -0.082 175.840 175.800 0.205 0.000 1.129 101 F CA -0.941 57.143 58.000 0.140 0.000 0.948 101 F CB 0.299 39.388 39.000 0.148 0.000 1.315 101 F HN 0.058 nan 8.300 nan 0.000 0.447 102 D N -0.203 120.373 120.400 0.294 0.000 2.431 102 D HA 0.245 4.884 4.640 -0.001 0.000 0.227 102 D C 1.044 177.561 176.300 0.362 0.000 1.030 102 D CA 0.862 54.969 54.000 0.179 0.000 0.897 102 D CB 0.522 41.382 40.800 0.100 0.000 1.058 102 D HN 0.771 nan 8.370 nan 0.000 0.500 103 R N 0.234 120.994 120.500 0.434 0.000 2.905 103 R HA 0.532 4.872 4.340 -0.001 0.000 0.260 103 R C -0.057 176.469 176.300 0.376 0.000 1.086 103 R CA -0.558 55.767 56.100 0.376 0.000 0.978 103 R CB -0.930 29.501 30.300 0.219 0.000 1.215 103 R HN -0.136 nan 8.270 nan 0.000 0.480 104 T N 2.615 117.293 114.554 0.207 0.000 4.216 104 T HA 0.118 4.468 4.350 -0.001 0.000 0.221 104 T C -0.279 174.441 174.700 0.034 0.000 0.939 104 T CA 0.630 62.780 62.100 0.083 0.000 1.218 104 T CB -1.141 67.747 68.868 0.033 0.000 1.266 104 T HN 0.553 nan 8.240 nan 0.000 0.917 136 T N -0.236 114.351 114.554 0.055 0.000 2.778 136 T HA -0.134 4.215 4.350 -0.001 0.000 0.269 136 T C 1.525 176.199 174.700 -0.043 0.000 1.050 136 T CA 1.530 63.682 62.100 0.086 0.000 1.137 136 T CB -0.507 68.407 68.868 0.077 0.000 0.860 136 T HN 0.090 nan 8.240 nan 0.000 0.468 137 N N 0.932 119.583 118.700 -0.082 0.000 2.364 137 N HA -0.050 4.689 4.740 -0.001 0.000 0.183 137 N C 1.663 177.073 175.510 -0.167 0.000 1.022 137 N CA 1.670 54.650 53.050 -0.116 0.000 0.883 137 N CB -0.203 38.226 38.487 -0.097 0.000 0.965 137 N HN 0.574 nan 8.380 nan 0.000 0.438 138 T N 0.187 114.595 114.554 -0.244 0.000 3.021 138 T HA 0.119 4.469 4.350 -0.001 0.000 0.245 138 T C 0.455 174.947 174.700 -0.347 0.000 1.028 138 T CA 0.134 62.020 62.100 -0.355 0.000 1.139 138 T CB 0.451 68.943 68.868 -0.626 0.000 0.884 138 T HN 0.016 nan 8.240 nan 0.000 0.457 139 L N 2.200 123.223 121.223 -0.333 0.000 2.439 139 L HA 0.536 4.876 4.340 -0.001 0.000 0.270 139 L C -3.142 173.710 176.870 -0.030 0.000 0.972 139 L CA -2.386 52.326 54.840 -0.213 0.000 0.836 139 L CB 1.833 43.716 42.059 -0.293 0.000 1.255 139 L HN -0.225 nan 8.230 nan 0.000 0.404 140 P HA 0.335 nan 4.420 nan 0.000 0.271 140 P C -1.529 175.895 177.300 0.207 0.000 1.220 140 P CA 0.381 63.551 63.100 0.116 0.000 0.768 140 P CB 0.483 32.224 31.700 0.067 0.000 0.848 141 H N 0.030 119.072 119.070 -0.046 0.000 3.024 141 H HA 0.390 4.946 4.556 -0.001 0.000 0.324 141 H C -1.913 173.365 175.328 -0.083 0.000 1.347 141 H CA -0.959 55.045 56.048 -0.073 0.000 1.182 141 H CB 0.033 29.768 29.762 -0.045 0.000 1.889 141 H HN 0.025 nan 8.280 nan 0.000 0.528 142 V N 1.159 120.955 119.914 -0.198 0.000 2.384 142 V HA 0.705 4.825 4.120 -0.001 0.000 0.287 142 V C 0.204 176.199 176.094 -0.165 0.000 1.020 142 V CA -0.095 62.082 62.300 -0.205 0.000 0.850 142 V CB 0.738 32.445 31.823 -0.194 0.000 0.987 142 V HN 1.027 nan 8.190 nan 0.000 0.436 143 A N 6.083 128.802 122.820 -0.170 0.000 2.355 143 A HA 1.039 5.359 4.320 -0.001 0.000 0.317 143 A C -0.931 176.612 177.584 -0.068 0.000 1.094 143 A CA -0.436 51.474 52.037 -0.211 0.000 0.764 143 A CB 1.152 20.053 19.000 -0.164 0.000 1.230 143 A HN 1.086 nan 8.150 nan 0.000 0.448 144 F N -0.436 119.369 119.950 -0.242 0.000 2.817 144 F HA 0.807 5.334 4.527 -0.001 0.000 0.317 144 F C -1.843 173.771 175.800 -0.310 0.000 1.168 144 F CA -1.550 56.382 58.000 -0.114 0.000 0.911 144 F CB 0.794 39.913 39.000 0.198 0.000 1.337 144 F HN 0.437 nan 8.300 nan 0.000 0.464 145 Y N 1.181 121.775 120.300 0.490 0.000 2.536 145 Y HA 0.746 5.296 4.550 -0.001 0.000 0.347 145 Y C -0.629 175.554 175.900 0.472 0.000 1.000 145 Y CA -1.253 57.047 58.100 0.334 0.000 1.051 145 Y CB 2.091 40.683 38.460 0.221 0.000 1.259 145 Y HN 0.386 nan 8.280 nan 0.000 0.468 146 I N 1.641 122.532 120.570 0.535 0.000 2.436 146 I HA 0.268 4.438 4.170 -0.001 0.000 0.289 146 I C -0.214 176.078 176.117 0.292 0.000 1.010 146 I CA -0.467 61.142 61.300 0.515 0.000 1.098 146 I CB 1.508 39.893 38.000 0.643 0.000 1.266 146 I HN 0.512 nan 8.210 nan 0.000 0.434 147 S N 4.939 120.757 115.700 0.197 0.000 2.578 147 S HA 0.710 5.180 4.470 -0.001 0.000 0.283 147 S C -0.806 173.835 174.600 0.069 0.000 1.195 147 S CA -0.372 57.845 58.200 0.028 0.000 1.050 147 S CB 1.389 64.585 63.200 -0.007 0.000 1.012 147 S HN 0.405 nan 8.310 nan 0.000 0.511 148 V N 4.612 124.514 119.914 -0.020 0.000 2.567 148 V HA 0.488 4.607 4.120 -0.001 0.000 0.298 148 V C -1.561 174.545 176.094 0.019 0.000 1.047 148 V CA -0.722 61.615 62.300 0.062 0.000 0.880 148 V CB 1.818 33.731 31.823 0.150 0.000 1.009 148 V HN 0.995 nan 8.190 nan 0.000 0.429 149 N N 4.428 123.148 118.700 0.034 0.000 2.461 149 N HA 0.591 5.331 4.740 -0.001 0.000 0.284 149 N C -0.909 174.622 175.510 0.035 0.000 1.049 149 N CA -0.623 52.436 53.050 0.015 0.000 0.889 149 N CB 1.909 40.384 38.487 -0.020 0.000 1.365 149 N HN 0.567 nan 8.380 nan 0.000 0.499 150 R N 1.873 122.404 120.500 0.052 0.000 2.483 150 R HA 0.687 5.027 4.340 -0.001 0.000 0.303 150 R C -1.229 175.108 176.300 0.061 0.000 0.987 150 R CA -0.664 55.472 56.100 0.060 0.000 0.881 150 R CB 1.054 31.402 30.300 0.080 0.000 1.177 150 R HN 0.617 nan 8.270 nan 0.000 0.451 151 A N 5.739 128.588 122.820 0.049 0.000 2.363 151 A HA 0.390 4.710 4.320 -0.001 0.000 0.270 151 A C 0.027 177.649 177.584 0.063 0.000 1.121 151 A CA -0.416 51.654 52.037 0.055 0.000 0.800 151 A CB 0.306 19.329 19.000 0.039 0.000 1.052 151 A HN 0.747 nan 8.150 nan 0.000 0.493 152 I N 3.139 123.755 120.570 0.076 0.000 2.297 152 I HA 0.158 4.327 4.170 -0.001 0.000 0.291 152 I C 0.970 177.129 176.117 0.070 0.000 1.033 152 I CA -0.183 61.163 61.300 0.076 0.000 1.253 152 I CB 1.246 39.301 38.000 0.092 0.000 1.396 152 I HN 0.799 nan 8.210 nan 0.000 0.476 153 S N 3.584 119.318 115.700 0.056 0.000 2.589 153 S HA 0.073 4.543 4.470 -0.001 0.000 0.265 153 S C 0.806 175.440 174.600 0.056 0.000 1.342 153 S CA -0.569 57.660 58.200 0.050 0.000 1.005 153 S CB 1.122 64.344 63.200 0.036 0.000 0.909 153 S HN 0.552 nan 8.310 nan 0.000 0.555 154 D N 1.638 122.071 120.400 0.054 0.000 2.144 154 D HA -0.035 4.604 4.640 -0.001 0.000 0.199 154 D C 2.443 178.775 176.300 0.053 0.000 0.984 154 D CA 1.804 55.843 54.000 0.066 0.000 0.834 154 D CB -0.851 39.983 40.800 0.058 0.000 0.955 154 D HN 0.905 nan 8.370 nan 0.000 0.465 155 E N 1.489 121.705 120.200 0.028 0.000 2.085 155 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 155 E C 1.863 178.439 176.600 -0.040 0.000 0.994 155 E CA 1.452 57.851 56.400 -0.002 0.000 0.801 155 E CB -0.924 28.774 29.700 -0.003 0.000 0.743 155 E HN 0.495 nan 8.360 nan 0.000 0.453 156 E N -1.290 118.901 120.200 -0.015 0.000 2.268 156 E HA -0.028 4.322 4.350 -0.001 0.000 0.195 156 E C 1.700 178.281 176.600 -0.032 0.000 0.995 156 E CA 0.866 57.248 56.400 -0.031 0.000 0.836 156 E CB -0.151 29.560 29.700 0.018 0.000 0.763 156 E HN 0.564 nan 8.360 nan 0.000 0.491 157 c N 0.992 119.624 118.600 0.053 0.000 2.855 157 c HA 0.148 4.717 4.570 -0.001 0.000 0.279 157 c C 0.670 174.926 174.090 0.276 0.000 1.270 157 c CA -0.216 56.248 56.329 0.224 0.000 1.702 157 c CB -0.597 42.064 42.510 0.250 0.000 1.949 157 c HN 0.174 nan 8.230 nan 0.000 0.618 158 T N 1.817 116.364 114.554 -0.012 0.000 2.817 158 T HA 0.521 4.870 4.350 -0.001 0.000 0.293 158 T C -0.685 173.854 174.700 -0.269 0.000 0.964 158 T CA 0.647 62.787 62.100 0.067 0.000 1.085 158 T CB 0.433 69.320 68.868 0.031 0.000 0.921 158 T HN 0.163 nan 8.240 nan 0.000 0.502 159 F N 0.832 120.905 119.950 0.204 0.000 2.643 159 F HA 0.385 4.912 4.527 -0.001 0.000 0.314 159 F C 0.633 176.578 175.800 0.241 0.000 1.096 159 F CA -1.366 56.658 58.000 0.040 0.000 0.953 159 F CB 1.376 40.138 39.000 -0.397 0.000 1.345 159 F HN 0.411 nan 8.300 nan 0.000 0.468 160 N N 1.135 120.064 118.700 0.383 0.000 2.454 160 N HA 0.013 4.752 4.740 -0.001 0.000 0.254 160 N C 0.578 176.377 175.510 0.480 0.000 1.228 160 N CA -0.173 53.068 53.050 0.318 0.000 0.900 160 N CB 0.427 39.026 38.487 0.187 0.000 1.089 160 N HN 0.493 nan 8.380 nan 0.000 0.449 161 N N 0.069 118.944 118.700 0.290 0.000 2.309 161 N HA -0.093 4.646 4.740 -0.001 0.000 0.182 161 N C 0.063 175.621 175.510 0.079 0.000 1.018 161 N CA 0.813 53.973 53.050 0.183 0.000 0.876 161 N CB 0.121 38.449 38.487 -0.265 0.000 0.972 161 N HN 0.378 nan 8.380 nan 0.000 0.434 162 S N -1.473 114.254 115.700 0.044 0.000 2.568 162 S HA 0.304 4.774 4.470 -0.001 0.000 0.293 162 S C -0.103 174.505 174.600 0.014 0.000 1.089 162 S CA -0.912 57.334 58.200 0.077 0.000 0.945 162 S CB 1.205 64.374 63.200 -0.051 0.000 1.077 162 S HN 0.377 nan 8.310 nan 0.000 0.485 163 W N 3.872 124.942 121.300 -0.384 0.000 2.850 163 W HA 0.136 4.796 4.660 -0.001 0.000 0.260 163 W C 0.749 176.891 176.519 -0.629 0.000 1.129 163 W CA -0.013 56.925 57.345 -0.678 0.000 1.587 163 W CB -0.190 28.700 29.460 -0.951 0.000 1.041 163 W HN 0.676 nan 8.180 nan 0.000 0.614 164 L N 0.230 120.921 121.223 -0.888 0.000 2.201 164 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 164 L C 0.965 177.122 176.870 -1.189 0.000 1.105 164 L CA 1.136 55.190 54.840 -1.309 0.000 0.775 164 L CB -0.471 40.514 42.059 -1.791 0.000 0.913 164 L HN 0.035 nan 8.230 nan 0.000 0.440 165 W N 0.076 121.240 121.300 -0.226 0.000 1.380 165 W HA 0.267 4.926 4.660 -0.001 0.000 0.298 165 W C 0.960 177.376 176.519 -0.172 0.000 0.837 165 W CA -1.061 56.190 57.345 -0.156 0.000 2.343 165 W CB -0.201 29.212 29.460 -0.078 0.000 2.070 165 W HN 0.055 nan 8.180 nan 0.000 0.500 166 K N 1.250 121.565 120.400 -0.142 0.000 2.049 166 K HA -0.293 4.027 4.320 -0.001 0.000 0.219 166 K C 1.796 178.376 176.600 -0.033 0.000 1.056 166 K CA 2.557 58.774 56.287 -0.117 0.000 0.946 166 K CB -0.645 31.729 32.500 -0.210 0.000 0.723 166 K HN 0.288 nan 8.250 nan 0.000 0.453 167 N N 1.567 120.252 118.700 -0.024 0.000 2.421 167 N HA -0.053 4.686 4.740 -0.001 0.000 0.201 167 N C 1.079 176.602 175.510 0.023 0.000 1.198 167 N CA 0.659 53.708 53.050 -0.001 0.000 0.838 167 N CB -0.285 38.196 38.487 -0.011 0.000 1.011 167 N HN 0.433 nan 8.380 nan 0.000 0.463 168 E N -0.971 119.255 120.200 0.043 0.000 2.406 168 E HA 0.071 4.421 4.350 -0.001 0.000 0.204 168 E C 0.784 177.397 176.600 0.022 0.000 0.820 168 E CA -0.036 56.389 56.400 0.040 0.000 1.136 168 E CB 0.313 30.049 29.700 0.061 0.000 1.129 168 E HN 0.204 nan 8.360 nan 0.000 0.530 169 K N 1.131 121.526 120.400 -0.008 0.000 2.444 169 K HA 0.190 4.509 4.320 -0.001 0.000 0.193 169 K C 0.873 177.447 176.600 -0.043 0.000 1.024 169 K CA 0.693 56.934 56.287 -0.075 0.000 1.077 169 K CB 0.654 32.913 32.500 -0.402 0.000 0.833 169 K HN 0.245 nan 8.250 nan 0.000 0.517 170 G N 1.547 110.348 108.800 0.002 0.000 2.553 170 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.242 170 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.242 170 G C -0.461 174.481 174.900 0.070 0.000 1.277 170 G CA -0.065 45.059 45.100 0.040 0.000 0.910 170 G HN 0.514 nan 8.290 nan 0.000 0.576 171 S N -1.185 114.581 115.700 0.110 0.000 2.596 171 S HA 0.894 5.363 4.470 -0.001 0.000 0.270 171 S C -0.606 174.108 174.600 0.191 0.000 1.155 171 S CA 0.248 58.560 58.200 0.187 0.000 0.827 171 S CB 2.524 65.823 63.200 0.166 0.000 1.130 171 S HN 2.057 nan 8.310 nan 0.000 0.467 172 R N -1.150 119.518 120.500 0.280 0.000 2.716 172 R HA 0.709 5.048 4.340 -0.001 0.000 0.271 172 R C -3.635 172.831 176.300 0.276 0.000 1.028 172 R CA -1.999 54.209 56.100 0.179 0.000 0.883 172 R CB 0.601 30.931 30.300 0.049 0.000 1.250 172 R HN 0.389 nan 8.270 nan 0.000 0.465 173 P HA 0.169 nan 4.420 nan 0.000 0.276 173 P C -0.756 176.670 177.300 0.210 0.000 1.235 173 P CA -0.255 62.984 63.100 0.232 0.000 0.772 173 P CB 0.177 31.949 31.700 0.119 0.000 0.871 174 F N 1.353 121.419 119.950 0.193 0.000 2.693 174 F HA 0.158 4.685 4.527 -0.001 0.000 0.303 174 F C 0.587 176.426 175.800 0.065 0.000 1.097 174 F CA 0.312 58.385 58.000 0.121 0.000 1.330 174 F CB -0.016 39.045 39.000 0.101 0.000 1.067 174 F HN 0.251 nan 8.300 nan 0.000 0.565 175 c N -0.748 117.972 118.600 0.201 0.000 3.171 175 c HA 0.917 5.486 4.570 -0.001 0.000 0.308 175 c C 0.067 174.201 174.090 0.074 0.000 1.334 175 c CA -1.487 54.907 56.329 0.109 0.000 1.473 175 c CB 0.806 43.386 42.510 0.117 0.000 1.866 175 c HN 0.149 nan 8.230 nan 0.000 0.465 176 K N 0.001 120.430 120.400 0.047 0.000 2.463 176 K HA 0.620 4.940 4.320 -0.001 0.000 0.255 176 K C -0.196 176.470 176.600 0.110 0.000 0.942 176 K CA -0.202 56.126 56.287 0.069 0.000 0.814 176 K CB 0.232 32.771 32.500 0.065 0.000 1.122 176 K HN 0.875 nan 8.250 nan 0.000 0.425 177 D N -0.006 120.463 120.400 0.116 0.000 2.837 177 D HA -0.159 4.480 4.640 -0.001 0.000 0.230 177 D C 0.411 176.831 176.300 0.201 0.000 1.152 177 D CA 1.275 55.367 54.000 0.154 0.000 0.736 177 D CB -1.732 39.177 40.800 0.182 0.000 1.084 177 D HN 1.234 nan 8.370 nan 0.000 0.429 178 A N 0.738 123.632 122.820 0.124 0.000 2.540 178 A HA 0.305 4.625 4.320 -0.001 0.000 0.239 178 A C 0.777 178.445 177.584 0.141 0.000 1.061 178 A CA 0.495 52.596 52.037 0.107 0.000 0.758 178 A CB 0.494 19.549 19.000 0.092 0.000 0.991 178 A HN 0.377 nan 8.150 nan 0.000 0.502 179 N N 1.208 120.009 118.700 0.168 0.000 2.598 179 N HA 0.422 5.162 4.740 -0.001 0.000 0.263 179 N C -1.934 173.662 175.510 0.143 0.000 1.254 179 N CA -0.508 52.628 53.050 0.143 0.000 0.863 179 N CB 1.285 39.852 38.487 0.133 0.000 1.586 179 N HN 0.469 nan 8.380 nan 0.000 0.491 180 I N 1.693 122.331 120.570 0.113 0.000 2.448 180 I HA 0.245 4.414 4.170 -0.001 0.000 0.281 180 I C -0.529 175.631 176.117 0.071 0.000 1.027 180 I CA -0.400 60.968 61.300 0.114 0.000 1.111 180 I CB 1.685 39.764 38.000 0.131 0.000 1.236 180 I HN 0.283 nan 8.210 nan 0.000 0.452 181 S N 7.455 123.177 115.700 0.038 0.000 2.733 181 S HA 0.691 5.160 4.470 -0.001 0.000 0.307 181 S C -0.471 174.087 174.600 -0.071 0.000 1.127 181 S CA -0.486 57.702 58.200 -0.020 0.000 1.097 181 S CB 1.060 64.239 63.200 -0.035 0.000 1.003 181 S HN 0.355 nan 8.310 nan 0.000 0.477 182 L N 3.261 124.407 121.223 -0.128 0.000 2.350 182 L HA 0.709 5.049 4.340 -0.001 0.000 0.260 182 L C -0.950 175.664 176.870 -0.427 0.000 1.015 182 L CA -0.940 53.746 54.840 -0.257 0.000 0.821 182 L CB 1.872 43.785 42.059 -0.244 0.000 1.370 182 L HN 0.470 nan 8.230 nan 0.000 0.416 183 I N 0.935 121.237 120.570 -0.445 0.000 2.478 183 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 183 I C -1.425 174.563 176.117 -0.215 0.000 1.042 183 I CA -0.556 60.529 61.300 -0.359 0.000 1.067 183 I CB 1.895 39.709 38.000 -0.310 0.000 1.233 183 I HN 0.349 nan 8.210 nan 0.000 0.431 184 Y N 4.848 125.286 120.300 0.231 0.000 2.330 184 Y HA 0.482 5.032 4.550 -0.001 0.000 0.336 184 Y C 0.376 176.427 175.900 0.253 0.000 1.036 184 Y CA -0.799 57.449 58.100 0.245 0.000 1.125 184 Y CB 0.928 39.548 38.460 0.266 0.000 1.194 184 Y HN 0.434 nan 8.280 nan 0.000 0.469 185 R N 2.457 123.146 120.500 0.315 0.000 2.349 185 R HA 0.718 5.057 4.340 -0.001 0.000 0.299 185 R C -1.703 174.464 176.300 -0.223 0.000 1.027 185 R CA -0.417 55.655 56.100 -0.047 0.000 0.958 185 R CB 0.770 31.104 30.300 0.057 0.000 1.047 185 R HN 0.611 nan 8.270 nan 0.000 0.468 186 V N 4.109 123.668 119.914 -0.591 0.000 2.709 186 V HA 0.399 4.518 4.120 -0.001 0.000 0.308 186 V C -0.590 175.064 176.094 -0.733 0.000 1.062 186 V CA -0.880 60.993 62.300 -0.711 0.000 0.901 186 V CB 2.147 33.213 31.823 -1.261 0.000 1.003 186 V HN 0.891 nan 8.190 nan 0.000 0.425 187 N N 3.757 122.213 118.700 -0.406 0.000 2.295 187 N HA 0.663 5.403 4.740 -0.001 0.000 0.293 187 N C -1.572 173.869 175.510 -0.115 0.000 1.040 187 N CA -0.736 52.184 53.050 -0.216 0.000 0.840 187 N CB 2.395 40.859 38.487 -0.039 0.000 1.468 187 N HN 0.467 nan 8.380 nan 0.000 0.478 188 L N 2.629 123.791 121.223 -0.102 0.000 2.296 188 L HA 0.537 4.876 4.340 -0.001 0.000 0.286 188 L C -0.076 176.752 176.870 -0.070 0.000 1.023 188 L CA -0.440 54.356 54.840 -0.074 0.000 0.812 188 L CB 1.153 43.034 42.059 -0.298 0.000 1.223 188 L HN 0.677 nan 8.230 nan 0.000 0.421 189 E N 2.340 122.613 120.200 0.122 0.000 2.429 189 E HA 0.615 4.964 4.350 -0.001 0.000 0.280 189 E C -1.464 175.345 176.600 0.349 0.000 1.068 189 E CA -1.267 55.227 56.400 0.158 0.000 0.837 189 E CB 2.100 31.903 29.700 0.172 0.000 1.357 189 E HN 0.311 nan 8.360 nan 0.000 0.455 190 R N 0.472 121.137 120.500 0.274 0.000 2.670 190 R HA 0.575 4.915 4.340 -0.001 0.000 0.289 190 R C -1.569 174.850 176.300 0.199 0.000 0.965 190 R CA -0.527 55.752 56.100 0.300 0.000 0.899 190 R CB 2.283 32.750 30.300 0.279 0.000 1.173 190 R HN 0.525 nan 8.270 nan 0.000 0.456 191 S N 3.957 119.770 115.700 0.189 0.000 2.482 191 S HA 0.642 5.111 4.470 -0.001 0.000 0.303 191 S C -0.886 173.769 174.600 0.092 0.000 1.091 191 S CA -0.751 57.515 58.200 0.109 0.000 1.057 191 S CB 0.527 63.793 63.200 0.110 0.000 1.031 191 S HN 0.499 nan 8.310 nan 0.000 0.485 192 L N 3.029 124.286 121.223 0.057 0.000 2.332 192 L HA 0.554 4.893 4.340 -0.001 0.000 0.269 192 L C 0.415 177.328 176.870 0.072 0.000 1.016 192 L CA -0.920 53.958 54.840 0.063 0.000 0.809 192 L CB 1.302 43.391 42.059 0.049 0.000 1.280 192 L HN 0.647 nan 8.230 nan 0.000 0.447 193 Q N 1.114 120.961 119.800 0.079 0.000 2.304 193 Q HA 0.180 4.520 4.340 -0.001 0.000 0.260 193 Q C -1.844 174.249 176.000 0.155 0.000 0.965 193 Q CA 0.030 55.884 55.803 0.085 0.000 0.898 193 Q CB 0.654 29.424 28.738 0.054 0.000 1.196 193 Q HN 0.443 nan 8.270 nan 0.000 0.402 194 Y N 3.278 123.564 120.300 -0.023 0.000 2.401 194 Y HA 0.517 5.067 4.550 -0.001 0.000 0.330 194 Y C -0.292 175.589 175.900 -0.032 0.000 1.071 194 Y CA 0.627 58.710 58.100 -0.028 0.000 1.049 194 Y CB 1.464 39.899 38.460 -0.041 0.000 1.239 194 Y HN 0.843 nan 8.280 nan 0.000 0.437 195 G N 4.211 112.693 108.800 -0.531 0.000 2.541 195 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.686 195 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.686 195 G C -1.072 173.704 174.900 -0.206 0.000 1.286 195 G CA -0.652 44.194 45.100 -0.423 0.000 0.894 195 G HN 1.307 nan 8.290 nan 0.000 0.575 196 I N -1.334 119.144 120.570 -0.153 0.000 2.581 196 I HA 0.654 4.823 4.170 -0.001 0.000 0.288 196 I C 0.962 177.039 176.117 -0.066 0.000 1.047 196 I CA -1.177 60.068 61.300 -0.092 0.000 1.374 196 I CB 1.165 39.121 38.000 -0.072 0.000 1.423 196 I HN 0.510 nan 8.210 nan 0.000 0.549 197 V N 6.401 126.287 119.914 -0.046 0.000 2.555 197 V HA 0.205 4.324 4.120 -0.001 0.000 0.299 197 V C 1.300 177.374 176.094 -0.034 0.000 1.012 197 V CA 1.624 63.905 62.300 -0.033 0.000 1.180 197 V CB -0.675 31.134 31.823 -0.024 0.000 0.887 197 V HN 1.243 nan 8.190 nan 0.000 0.476 198 G N 4.122 112.902 108.800 -0.032 0.000 2.428 198 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.199 198 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.199 198 G C 0.457 175.333 174.900 -0.039 0.000 1.005 198 G CA 0.303 45.383 45.100 -0.033 0.000 0.671 198 G HN 1.508 nan 8.290 nan 0.000 0.485 199 S N -0.440 115.231 115.700 -0.048 0.000 3.025 199 S HA 0.792 5.262 4.470 -0.001 0.000 0.251 199 S C 0.275 174.839 174.600 -0.059 0.000 0.954 199 S CA 0.977 59.144 58.200 -0.055 0.000 1.092 199 S CB 0.638 63.797 63.200 -0.069 0.000 1.079 199 S HN 1.867 nan 8.310 nan 0.000 0.543 200 A N 1.896 124.688 122.820 -0.046 0.000 2.294 200 A HA 0.837 5.156 4.320 -0.001 0.000 0.330 200 A C 0.569 178.148 177.584 -0.007 0.000 1.133 200 A CA -0.465 51.549 52.037 -0.039 0.000 0.836 200 A CB 0.496 19.473 19.000 -0.038 0.000 1.190 200 A HN 0.671 nan 8.150 nan 0.000 0.492 201 T N 0.237 114.801 114.554 0.016 0.000 2.899 201 T HA 0.542 4.891 4.350 -0.001 0.000 0.295 201 T C -2.399 172.320 174.700 0.031 0.000 1.033 201 T CA -1.272 60.829 62.100 0.002 0.000 1.084 201 T CB 0.732 69.596 68.868 -0.007 0.000 0.979 201 T HN 0.503 nan 8.240 nan 0.000 0.532 202 P HA 0.295 nan 4.420 nan 0.000 0.281 202 P C -0.989 176.358 177.300 0.078 0.000 1.249 202 P CA -0.372 62.774 63.100 0.075 0.000 0.810 202 P CB 0.754 32.528 31.700 0.123 0.000 1.008 203 D N 1.221 121.660 120.400 0.064 0.000 2.456 203 D HA 0.510 5.150 4.640 -0.001 0.000 0.219 203 D C -0.959 175.380 176.300 0.065 0.000 1.126 203 D CA -0.217 53.822 54.000 0.064 0.000 0.890 203 D CB -0.525 40.302 40.800 0.045 0.000 1.025 203 D HN 0.463 nan 8.370 nan 0.000 0.511 204 A N 3.303 126.182 122.820 0.099 0.000 2.605 204 A HA 0.485 4.804 4.320 -0.001 0.000 0.294 204 A C -0.795 176.879 177.584 0.150 0.000 1.062 204 A CA -0.952 51.137 52.037 0.087 0.000 0.682 204 A CB 1.166 20.217 19.000 0.084 0.000 1.278 204 A HN 0.319 nan 8.150 nan 0.000 0.410 205 K N 1.341 121.796 120.400 0.093 0.000 2.249 205 K HA 0.569 4.888 4.320 -0.001 0.000 0.280 205 K C -0.703 176.073 176.600 0.293 0.000 1.033 205 K CA -0.210 56.205 56.287 0.214 0.000 0.946 205 K CB 0.787 33.239 32.500 -0.081 0.000 1.005 205 K HN 0.476 nan 8.250 nan 0.000 0.469 206 I N 2.498 123.369 120.570 0.502 0.000 2.569 206 I HA 0.330 4.500 4.170 -0.001 0.000 0.296 206 I C -0.435 175.956 176.117 0.457 0.000 1.028 206 I CA -0.986 60.562 61.300 0.414 0.000 1.082 206 I CB 1.866 40.075 38.000 0.349 0.000 1.264 206 I HN 0.252 nan 8.210 nan 0.000 0.429 207 V N 6.023 126.110 119.914 0.290 0.000 2.419 207 V HA 0.425 4.545 4.120 -0.001 0.000 0.287 207 V C -0.067 176.050 176.094 0.039 0.000 1.017 207 V CA -0.685 61.679 62.300 0.106 0.000 0.844 207 V CB 2.088 33.796 31.823 -0.193 0.000 1.011 207 V HN 0.695 nan 8.190 nan 0.000 0.429 208 R N 5.250 125.744 120.500 -0.009 0.000 2.343 208 R HA 0.755 5.095 4.340 -0.001 0.000 0.320 208 R C -1.325 174.944 176.300 -0.052 0.000 0.956 208 R CA -0.486 55.587 56.100 -0.045 0.000 0.836 208 R CB 1.200 31.470 30.300 -0.051 0.000 1.151 208 R HN 0.686 nan 8.270 nan 0.000 0.450 209 I N 3.417 123.982 120.570 -0.007 0.000 2.465 209 I HA 0.406 4.575 4.170 -0.001 0.000 0.291 209 I C -0.592 175.551 176.117 0.044 0.000 1.014 209 I CA -0.599 60.740 61.300 0.066 0.000 1.093 209 I CB 2.168 40.316 38.000 0.248 0.000 1.267 209 I HN 0.744 nan 8.210 nan 0.000 0.431 210 S N 5.570 121.336 115.700 0.111 0.000 2.565 210 S HA 0.706 5.176 4.470 -0.001 0.000 0.269 210 S C -1.303 173.410 174.600 0.188 0.000 1.153 210 S CA -0.905 57.358 58.200 0.104 0.000 0.835 210 S CB 1.867 65.073 63.200 0.010 0.000 1.122 210 S HN 0.322 nan 8.310 nan 0.000 0.462 211 L N 3.103 124.411 121.223 0.141 0.000 2.324 211 L HA 0.512 4.852 4.340 -0.001 0.000 0.274 211 L C -0.317 176.550 176.870 -0.006 0.000 1.012 211 L CA -0.049 54.849 54.840 0.097 0.000 0.859 211 L CB 0.948 43.041 42.059 0.058 0.000 1.224 211 L HN 0.842 nan 8.230 nan 0.000 0.429 212 D N -0.154 120.255 120.400 0.014 0.000 2.467 212 D HA 0.259 4.898 4.640 -0.001 0.000 0.245 212 D C -0.336 175.949 176.300 -0.025 0.000 1.038 212 D CA -0.613 53.377 54.000 -0.017 0.000 1.038 212 D CB 1.683 42.500 40.800 0.027 0.000 1.278 212 D HN 0.164 nan 8.370 nan 0.000 0.564 213 D N -0.064 120.322 120.400 -0.022 0.000 2.178 213 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 213 D C 0.847 177.135 176.300 -0.020 0.000 0.980 213 D CA 1.110 55.089 54.000 -0.035 0.000 0.842 213 D CB -0.027 40.762 40.800 -0.017 0.000 0.948 213 D HN 0.402 nan 8.370 nan 0.000 0.472 214 D N -0.597 119.816 120.400 0.021 0.000 2.340 214 D HA 0.012 4.652 4.640 -0.001 0.000 0.220 214 D C 1.105 177.402 176.300 -0.006 0.000 1.039 214 D CA 0.422 54.427 54.000 0.008 0.000 0.866 214 D CB 0.404 41.230 40.800 0.044 0.000 0.913 214 D HN 0.236 nan 8.370 nan 0.000 0.523 215 S N -1.652 114.064 115.700 0.028 0.000 2.800 215 S HA -0.010 4.460 4.470 -0.001 0.000 0.266 215 S C 0.646 175.302 174.600 0.094 0.000 1.029 215 S CA -0.451 57.775 58.200 0.043 0.000 1.302 215 S CB 0.361 63.668 63.200 0.179 0.000 1.212 215 S HN -0.017 nan 8.310 nan 0.000 0.683 216 T N 2.094 116.656 114.554 0.013 0.000 2.934 216 T HA 0.421 4.770 4.350 -0.001 0.000 0.321 216 T C 0.854 175.505 174.700 -0.081 0.000 1.080 216 T CA 0.939 63.008 62.100 -0.051 0.000 1.132 216 T CB 0.020 68.825 68.868 -0.105 0.000 1.039 216 T HN 0.594 nan 8.240 nan 0.000 0.543 217 G N 1.443 110.161 108.800 -0.137 0.000 2.543 217 G HA2 0.545 4.505 3.960 -0.001 0.000 0.290 217 G HA3 0.545 4.505 3.960 -0.001 0.000 0.290 217 G C 1.229 176.048 174.900 -0.135 0.000 1.310 217 G CA -0.161 44.844 45.100 -0.158 0.000 1.025 217 G HN 1.022 nan 8.290 nan 0.000 0.502 218 A N -1.544 121.206 122.820 -0.117 0.000 1.933 218 A HA 0.449 4.768 4.320 -0.001 0.000 0.218 218 A C 1.647 179.166 177.584 -0.108 0.000 1.175 218 A CA 2.218 54.194 52.037 -0.101 0.000 0.628 218 A CB -0.958 17.995 19.000 -0.079 0.000 0.814 218 A HN 2.541 nan 8.150 nan 0.000 0.444 219 G N -2.048 106.691 108.800 -0.102 0.000 2.396 219 G HA2 0.045 4.004 3.960 -0.001 0.000 0.254 219 G HA3 0.045 4.004 3.960 -0.001 0.000 0.254 219 G C -0.638 174.265 174.900 0.006 0.000 1.248 219 G CA -0.404 44.633 45.100 -0.105 0.000 1.033 219 G HN 0.596 nan 8.290 nan 0.000 0.502 220 I N 0.925 121.527 120.570 0.054 0.000 2.404 220 I HA 0.538 4.707 4.170 -0.001 0.000 0.293 220 I C -0.176 176.077 176.117 0.227 0.000 0.992 220 I CA -0.752 60.646 61.300 0.162 0.000 1.149 220 I CB 1.958 40.088 38.000 0.216 0.000 1.315 220 I HN 0.722 nan 8.210 nan 0.000 0.446 221 H N 5.967 125.113 119.070 0.127 0.000 2.600 221 H HA 0.556 5.111 4.556 -0.001 0.000 0.357 221 H C -0.694 174.737 175.328 0.171 0.000 1.106 221 H CA -0.510 55.619 56.048 0.136 0.000 1.193 221 H CB 1.750 31.567 29.762 0.092 0.000 1.594 221 H HN 0.523 nan 8.280 nan 0.000 0.526 222 L N 2.604 123.629 121.223 -0.330 0.000 2.600 222 L HA 0.396 4.736 4.340 -0.001 0.000 0.213 222 L C -0.072 176.605 176.870 -0.322 0.000 1.045 222 L CA 0.072 54.800 54.840 -0.187 0.000 0.863 222 L CB 0.375 42.468 42.059 0.056 0.000 1.189 222 L HN 0.515 nan 8.230 nan 0.000 0.484 223 N N -0.994 117.487 118.700 -0.364 0.000 2.710 223 N HA 0.127 4.867 4.740 -0.001 0.000 0.257 223 N C -0.790 174.852 175.510 0.221 0.000 1.327 223 N CA -0.406 52.589 53.050 -0.092 0.000 0.861 223 N CB 2.202 40.678 38.487 -0.018 0.000 1.532 223 N HN -0.169 nan 8.380 nan 0.000 0.499 224 D N 0.582 121.149 120.400 0.279 0.000 2.216 224 D HA 0.044 4.684 4.640 -0.001 0.000 0.208 224 D C 0.557 177.022 176.300 0.276 0.000 0.960 224 D CA 1.422 55.629 54.000 0.344 0.000 0.861 224 D CB 0.613 41.547 40.800 0.223 0.000 0.985 224 D HN 0.663 nan 8.370 nan 0.000 0.493 225 Q N -0.000 119.857 119.800 0.095 0.000 2.482 225 Q HA 0.621 4.960 4.340 -0.001 0.000 0.286 225 Q C -1.447 174.427 176.000 -0.210 0.000 1.007 225 Q CA -0.644 55.135 55.803 -0.039 0.000 0.801 225 Q CB 1.042 29.782 28.738 0.004 0.000 1.455 225 Q HN 0.110 nan 8.270 nan 0.000 0.398 226 L N 2.364 123.404 121.223 -0.306 0.000 2.259 226 L HA 0.704 5.044 4.340 -0.001 0.000 0.288 226 L C 0.874 177.672 176.870 -0.119 0.000 1.051 226 L CA -0.793 53.891 54.840 -0.260 0.000 0.824 226 L CB 1.146 43.006 42.059 -0.333 0.000 1.206 226 L HN 0.918 nan 8.230 nan 0.000 0.429 227 G N 1.921 110.646 108.800 -0.125 0.000 2.531 227 G HA2 0.601 4.560 3.960 -0.001 0.000 0.313 227 G HA3 0.601 4.560 3.960 -0.001 0.000 0.313 227 G C -1.326 173.512 174.900 -0.103 0.000 1.238 227 G CA -0.256 44.746 45.100 -0.163 0.000 0.994 227 G HN 0.547 nan 8.290 nan 0.000 0.493 228 Y N -2.372 117.782 120.300 -0.243 0.000 2.689 228 Y HA 0.840 5.390 4.550 -0.001 0.000 0.333 228 Y C -0.692 175.130 175.900 -0.130 0.000 1.190 228 Y CA -1.730 56.268 58.100 -0.170 0.000 1.063 228 Y CB 1.315 39.625 38.460 -0.249 0.000 1.294 228 Y HN 0.544 nan 8.280 nan 0.000 0.466 229 R N 1.361 121.987 120.500 0.209 0.000 2.651 229 R HA 0.313 4.652 4.340 -0.001 0.000 0.278 229 R C -1.544 174.768 176.300 0.019 0.000 1.010 229 R CA -1.090 54.995 56.100 -0.025 0.000 0.896 229 R CB 2.642 32.897 30.300 -0.076 0.000 1.211 229 R HN 0.767 nan 8.270 nan 0.000 0.456 230 Q N 2.934 122.558 119.800 -0.293 0.000 2.235 230 Q HA 0.449 4.789 4.340 -0.001 0.000 0.256 230 Q C -1.369 174.092 176.000 -0.898 0.000 0.951 230 Q CA -0.048 55.484 55.803 -0.452 0.000 0.890 230 Q CB 1.116 29.713 28.738 -0.236 0.000 1.279 230 Q HN 0.439 nan 8.270 nan 0.000 0.444 231 F N -0.457 119.391 119.950 -0.170 0.000 2.643 231 F HA 0.746 5.273 4.527 -0.001 0.000 0.314 231 F C 0.368 176.089 175.800 -0.132 0.000 1.096 231 F CA -0.593 57.372 58.000 -0.058 0.000 0.953 231 F CB 2.517 41.604 39.000 0.145 0.000 1.345 231 F HN 0.597 nan 8.300 nan 0.000 0.468 232 G N -0.027 108.735 108.800 -0.063 0.000 2.690 232 G HA2 0.636 4.595 3.960 -0.001 0.000 0.293 232 G HA3 0.636 4.595 3.960 -0.001 0.000 0.293 232 G C -1.527 172.797 174.900 -0.959 0.000 1.399 232 G CA -0.720 44.151 45.100 -0.381 0.000 0.890 232 G HN 0.847 nan 8.290 nan 0.000 0.485 233 A N 0.166 122.242 122.820 -1.240 0.000 2.561 233 A HA 0.436 4.756 4.320 -0.001 0.000 0.234 233 A C 1.548 178.531 177.584 -1.003 0.000 1.055 233 A CA 0.779 51.872 52.037 -1.573 0.000 0.756 233 A CB 0.213 18.491 19.000 -1.203 0.000 0.986 233 A HN 1.821 nan 8.150 nan 0.000 0.505 234 S N 0.415 115.556 115.700 -0.931 0.000 2.605 234 S HA 0.327 4.797 4.470 -0.001 0.000 0.217 234 S C 0.035 174.500 174.600 -0.224 0.000 0.958 234 S CA 0.275 58.225 58.200 -0.416 0.000 0.919 234 S CB -0.615 62.445 63.200 -0.233 0.000 0.780 234 S HN 0.904 nan 8.310 nan 0.000 0.507 235 Y N -1.464 118.744 120.300 -0.154 0.000 2.605 235 Y HA 0.776 5.326 4.550 -0.001 0.000 0.343 235 Y C -0.044 175.823 175.900 -0.055 0.000 1.036 235 Y CA -1.564 56.487 58.100 -0.081 0.000 1.065 235 Y CB 0.083 38.510 38.460 -0.055 0.000 1.288 235 Y HN -0.194 nan 8.280 nan 0.000 0.481 236 T N 2.129 116.775 114.554 0.153 0.000 2.900 236 T HA 0.470 4.820 4.350 -0.001 0.000 0.307 236 T C -0.173 174.609 174.700 0.137 0.000 1.065 236 T CA 0.313 62.456 62.100 0.071 0.000 1.105 236 T CB 0.288 69.175 68.868 0.033 0.000 0.979 236 T HN 0.860 nan 8.240 nan 0.000 0.544 237 T N -2.147 112.423 114.554 0.027 0.000 2.916 237 T HA 0.713 5.062 4.350 -0.001 0.000 0.305 237 T C 0.467 175.100 174.700 -0.112 0.000 1.119 237 T CA -0.532 61.574 62.100 0.009 0.000 1.008 237 T CB 1.046 69.928 68.868 0.023 0.000 1.129 237 T HN 0.431 nan 8.240 nan 0.000 0.480 238 L N 0.046 121.188 121.223 -0.134 0.000 2.713 238 L HA 0.724 5.064 4.340 -0.001 0.000 0.223 238 L C 0.626 177.407 176.870 -0.149 0.000 1.040 238 L CA 0.678 55.404 54.840 -0.189 0.000 0.894 238 L CB -1.027 40.873 42.059 -0.265 0.000 1.361 238 L HN 0.939 nan 8.230 nan 0.000 0.490 239 D N -0.385 119.924 120.400 -0.150 0.000 2.472 239 D HA 0.646 5.285 4.640 -0.001 0.000 0.248 239 D C -0.569 175.512 176.300 -0.364 0.000 1.271 239 D CA 0.814 54.704 54.000 -0.183 0.000 0.888 239 D CB 1.064 41.895 40.800 0.052 0.000 1.337 239 D HN 0.909 nan 8.370 nan 0.000 0.526 240 A N 1.199 123.523 122.820 -0.827 0.000 2.456 240 A HA 0.403 4.722 4.320 -0.001 0.000 0.294 240 A C -1.790 175.355 177.584 -0.732 0.000 1.057 240 A CA -0.856 50.702 52.037 -0.797 0.000 0.623 240 A CB 0.248 19.197 19.000 -0.085 0.000 1.338 240 A HN 0.183 nan 8.150 nan 0.000 0.464 241 Y N 1.066 121.332 120.300 -0.057 0.000 2.442 241 Y HA 0.347 4.896 4.550 -0.001 0.000 0.330 241 Y C 1.027 177.205 175.900 0.463 0.000 1.129 241 Y CA 1.449 59.708 58.100 0.265 0.000 1.365 241 Y CB 0.349 38.988 38.460 0.298 0.000 1.233 241 Y HN 0.687 nan 8.280 nan 0.000 0.529 242 F N -0.444 119.721 119.950 0.358 0.000 2.834 242 F HA 0.531 5.058 4.527 -0.001 0.000 0.332 242 F C -0.142 175.827 175.800 0.281 0.000 1.056 242 F CA -0.769 57.373 58.000 0.238 0.000 1.178 242 F CB 0.378 39.389 39.000 0.019 0.000 1.037 242 F HN 0.194 nan 8.300 nan 0.000 0.580 243 R N 0.996 121.320 120.500 -0.294 0.000 2.725 243 R HA 0.563 4.903 4.340 -0.001 0.000 0.277 243 R C -1.403 174.795 176.300 -0.170 0.000 0.987 243 R CA -0.647 55.186 56.100 -0.445 0.000 0.901 243 R CB 2.852 32.518 30.300 -1.057 0.000 1.207 243 R HN 0.320 nan 8.270 nan 0.000 0.463 244 E N 1.932 121.987 120.200 -0.240 0.000 2.390 244 E HA 0.355 4.705 4.350 -0.001 0.000 0.277 244 E C -1.506 175.043 176.600 -0.084 0.000 0.939 244 E CA -0.647 55.774 56.400 0.036 0.000 0.769 244 E CB 1.914 31.819 29.700 0.341 0.000 1.251 244 E HN 0.418 nan 8.360 nan 0.000 0.450 245 W N 2.129 123.668 121.300 0.399 0.000 2.781 245 W HA 0.313 4.972 4.660 -0.001 0.000 0.333 245 W C -0.719 176.040 176.519 0.401 0.000 1.047 245 W CA -0.816 56.756 57.345 0.378 0.000 1.236 245 W CB 2.085 31.689 29.460 0.239 0.000 1.394 245 W HN 0.541 nan 8.180 nan 0.000 0.466 246 S N 1.111 117.189 115.700 0.630 0.000 2.498 246 S HA 0.554 5.024 4.470 -0.001 0.000 0.324 246 S C -0.320 174.470 174.600 0.317 0.000 1.071 246 S CA -0.388 58.039 58.200 0.379 0.000 1.113 246 S CB 1.656 65.152 63.200 0.494 0.000 0.976 246 S HN 0.228 nan 8.310 nan 0.000 0.462 247 T N 3.202 117.889 114.554 0.221 0.000 2.909 247 T HA 0.308 4.658 4.350 -0.001 0.000 0.286 247 T C -0.130 174.663 174.700 0.155 0.000 1.002 247 T CA -0.549 61.668 62.100 0.194 0.000 1.074 247 T CB 0.524 69.510 68.868 0.196 0.000 0.984 247 T HN 0.610 nan 8.240 nan 0.000 0.495 248 D N 1.779 122.209 120.400 0.050 0.000 2.478 248 D HA 0.245 4.884 4.640 -0.001 0.000 0.234 248 D C 0.399 176.766 176.300 0.111 0.000 1.154 248 D CA 0.110 54.151 54.000 0.068 0.000 0.874 248 D CB 0.493 41.254 40.800 -0.064 0.000 1.198 248 D HN 0.656 nan 8.370 nan 0.000 0.455 249 A N 2.034 124.962 122.820 0.180 0.000 2.445 249 A HA 0.454 4.773 4.320 -0.001 0.000 0.242 249 A C 0.552 178.153 177.584 0.030 0.000 1.075 249 A CA -0.256 51.796 52.037 0.025 0.000 0.777 249 A CB 0.066 19.043 19.000 -0.038 0.000 1.013 249 A HN 0.591 nan 8.150 nan 0.000 0.493 250 I N -1.922 118.658 120.570 0.016 0.000 3.264 250 I HA 0.837 5.006 4.170 -0.001 0.000 0.309 250 I C 0.079 176.207 176.117 0.018 0.000 1.099 250 I CA -1.373 59.987 61.300 0.101 0.000 0.989 250 I CB 2.108 40.193 38.000 0.142 0.000 1.250 250 I HN 0.582 nan 8.210 nan 0.000 0.478 251 A N 1.619 124.436 122.820 -0.005 0.000 2.260 251 A HA 0.325 4.644 4.320 -0.001 0.000 0.312 251 A C 0.537 178.045 177.584 -0.126 0.000 1.321 251 A CA -0.397 51.500 52.037 -0.233 0.000 0.928 251 A CB 1.056 19.551 19.000 -0.842 0.000 1.158 251 A HN 0.783 nan 8.150 nan 0.000 0.542 252 Q N 1.448 121.186 119.800 -0.103 0.000 2.224 252 Q HA -0.046 4.294 4.340 -0.001 0.000 0.203 252 Q C -0.012 176.000 176.000 0.020 0.000 0.970 252 Q CA 2.239 58.017 55.803 -0.041 0.000 0.865 252 Q CB 0.046 28.752 28.738 -0.053 0.000 0.922 252 Q HN 0.966 nan 8.270 nan 0.000 0.445 253 D N -3.108 117.231 120.400 -0.101 0.000 2.653 253 D HA 0.241 4.880 4.640 -0.001 0.000 0.258 253 D C -1.543 174.546 176.300 -0.351 0.000 1.252 253 D CA -0.731 53.228 54.000 -0.069 0.000 0.777 253 D CB 0.105 40.940 40.800 0.058 0.000 1.339 253 D HN -0.083 nan 8.370 nan 0.000 0.422 254 Y N -0.371 119.898 120.300 -0.051 0.000 2.391 254 Y HA 0.625 5.175 4.550 -0.001 0.000 0.341 254 Y C 0.052 175.913 175.900 -0.065 0.000 0.965 254 Y CA -0.821 57.158 58.100 -0.201 0.000 1.067 254 Y CB 2.402 40.561 38.460 -0.502 0.000 1.199 254 Y HN 0.423 nan 8.280 nan 0.000 0.450 255 R N 2.936 123.274 120.500 -0.270 0.000 2.686 255 R HA 0.719 5.059 4.340 -0.001 0.000 0.283 255 R C -2.224 173.651 176.300 -0.708 0.000 0.978 255 R CA -0.734 55.239 56.100 -0.211 0.000 0.897 255 R CB 1.204 31.481 30.300 -0.038 0.000 1.192 255 R HN 0.585 nan 8.270 nan 0.000 0.457 256 F N 3.320 123.481 119.950 0.351 0.000 2.553 256 F HA 0.373 4.900 4.527 -0.001 0.000 0.335 256 F C -0.571 175.322 175.800 0.155 0.000 1.148 256 F CA -0.878 57.264 58.000 0.237 0.000 0.963 256 F CB 2.041 41.295 39.000 0.423 0.000 1.217 256 F HN 0.018 nan 8.300 nan 0.000 0.441 257 V N 3.845 123.772 119.914 0.023 0.000 2.435 257 V HA 0.472 4.592 4.120 -0.001 0.000 0.290 257 V C -0.671 175.328 176.094 -0.158 0.000 1.030 257 V CA -0.871 61.449 62.300 0.034 0.000 0.881 257 V CB 1.526 33.367 31.823 0.030 0.000 0.983 257 V HN 0.456 nan 8.190 nan 0.000 0.445 258 F N 3.160 123.232 119.950 0.202 0.000 2.482 258 F HA 0.562 5.089 4.527 -0.001 0.000 0.331 258 F C 0.281 176.230 175.800 0.249 0.000 1.115 258 F CA -0.377 57.776 58.000 0.254 0.000 0.955 258 F CB 1.589 40.794 39.000 0.341 0.000 1.136 258 F HN 0.494 nan 8.300 nan 0.000 0.452 259 N N 0.789 119.699 118.700 0.350 0.000 2.396 259 N HA 0.781 5.520 4.740 -0.001 0.000 0.275 259 N C -1.808 173.726 175.510 0.039 0.000 1.218 259 N CA -0.639 52.542 53.050 0.219 0.000 0.812 259 N CB 2.009 40.550 38.487 0.090 0.000 1.592 259 N HN 0.719 nan 8.380 nan 0.000 0.480 260 A N 0.556 123.325 122.820 -0.085 0.000 2.324 260 A HA 0.364 4.684 4.320 -0.001 0.000 0.330 260 A C 0.936 178.333 177.584 -0.311 0.000 1.165 260 A CA -0.421 51.345 52.037 -0.450 0.000 0.813 260 A CB 0.969 19.666 19.000 -0.506 0.000 1.197 260 A HN 0.760 nan 8.150 nan 0.000 0.484 261 S N 1.391 116.854 115.700 -0.394 0.000 2.474 261 S HA -0.068 4.402 4.470 -0.001 0.000 0.235 261 S C 0.523 175.021 174.600 -0.170 0.000 0.997 261 S CA 1.072 59.128 58.200 -0.240 0.000 0.949 261 S CB -0.726 62.327 63.200 -0.246 0.000 0.766 261 S HN 1.049 nan 8.310 nan 0.000 0.517 262 N N 0.493 119.086 118.700 -0.179 0.000 2.853 262 N HA 0.317 5.057 4.740 -0.001 0.000 0.258 262 N C -0.658 174.799 175.510 -0.088 0.000 1.444 262 N CA -0.609 52.378 53.050 -0.106 0.000 0.837 262 N CB 0.021 38.461 38.487 -0.079 0.000 1.489 262 N HN 0.064 nan 8.380 nan 0.000 0.529 263 N N -0.717 117.946 118.700 -0.062 0.000 2.434 263 N HA 0.035 4.775 4.740 -0.001 0.000 0.196 263 N C 0.181 175.646 175.510 -0.076 0.000 1.183 263 N CA 0.188 53.207 53.050 -0.052 0.000 0.849 263 N CB 0.074 38.535 38.487 -0.042 0.000 0.992 263 N HN 0.580 nan 8.380 nan 0.000 0.460 264 K N -0.475 119.866 120.400 -0.098 0.000 2.288 264 K HA 0.146 4.465 4.320 -0.001 0.000 0.201 264 K C 0.241 176.692 176.600 -0.247 0.000 1.048 264 K CA 0.758 56.926 56.287 -0.199 0.000 0.956 264 K CB 0.165 32.549 32.500 -0.193 0.000 0.746 264 K HN 0.343 nan 8.250 nan 0.000 0.461 265 A N 1.135 123.908 122.820 -0.078 0.000 2.337 265 A HA 0.438 4.757 4.320 -0.001 0.000 0.329 265 A C -0.984 176.702 177.584 0.169 0.000 1.146 265 A CA -0.602 51.475 52.037 0.066 0.000 0.800 265 A CB 1.001 20.141 19.000 0.234 0.000 1.220 265 A HN 0.065 nan 8.150 nan 0.000 0.472 266 Q N 0.989 120.925 119.800 0.227 0.000 2.397 266 Q HA 0.468 4.807 4.340 -0.001 0.000 0.275 266 Q C -1.172 174.928 176.000 0.166 0.000 1.090 266 Q CA -0.668 55.244 55.803 0.182 0.000 0.809 266 Q CB 2.619 31.387 28.738 0.051 0.000 1.362 266 Q HN 0.742 nan 8.270 nan 0.000 0.431 267 I N 2.846 123.418 120.570 0.004 0.000 2.505 267 I HA -0.104 4.065 4.170 -0.001 0.000 0.287 267 I C 0.794 176.821 176.117 -0.149 0.000 1.104 267 I CA 0.096 61.250 61.300 -0.244 0.000 1.387 267 I CB 0.560 38.389 38.000 -0.285 0.000 1.404 267 I HN 0.572 nan 8.210 nan 0.000 0.528 268 L N 8.230 129.350 121.223 -0.173 0.000 2.130 268 L HA 0.136 4.475 4.340 -0.001 0.000 0.200 268 L C 0.537 177.325 176.870 -0.137 0.000 1.075 268 L CA 1.582 56.345 54.840 -0.128 0.000 0.768 268 L CB -0.194 41.777 42.059 -0.146 0.000 0.933 268 L HN 0.708 nan 8.230 nan 0.000 0.451 269 K N -2.085 118.196 120.400 -0.199 0.000 2.579 269 K HA 0.613 4.933 4.320 -0.001 0.000 0.284 269 K C -1.045 175.463 176.600 -0.153 0.000 0.990 269 K CA -0.184 56.016 56.287 -0.144 0.000 0.880 269 K CB 1.465 33.908 32.500 -0.096 0.000 1.488 269 K HN 0.034 nan 8.250 nan 0.000 0.425 270 T N -1.909 112.602 114.554 -0.072 0.000 2.816 270 T HA 0.705 5.054 4.350 -0.001 0.000 0.299 270 T C -1.621 173.099 174.700 0.034 0.000 1.230 270 T CA -0.786 61.308 62.100 -0.010 0.000 1.007 270 T CB 1.301 70.259 68.868 0.151 0.000 1.289 270 T HN 0.537 nan 8.240 nan 0.000 0.508 271 F N 2.449 122.330 119.950 -0.116 0.000 2.588 271 F HA 0.606 5.133 4.527 -0.001 0.000 0.318 271 F C -2.602 173.033 175.800 -0.276 0.000 1.155 271 F CA -2.154 55.766 58.000 -0.133 0.000 0.967 271 F CB 2.150 41.090 39.000 -0.099 0.000 1.236 271 F HN 0.470 nan 8.300 nan 0.000 0.455 272 P HA -0.003 nan 4.420 nan 0.000 0.269 272 P C 0.701 177.724 177.300 -0.461 0.000 1.217 272 P CA 0.183 62.801 63.100 -0.804 0.000 0.783 272 P CB 1.311 32.658 31.700 -0.588 0.000 0.898 273 V N -1.975 117.574 119.914 -0.608 0.000 3.052 273 V HA 0.176 4.296 4.120 -0.001 0.000 0.254 273 V C 0.688 176.657 176.094 -0.208 0.000 1.100 273 V CA 1.796 63.914 62.300 -0.304 0.000 1.112 273 V CB -1.206 30.443 31.823 -0.291 0.000 0.738 273 V HN 0.677 nan 8.190 nan 0.000 0.469 274 D N -0.494 119.751 120.400 -0.258 0.000 3.009 274 D HA 0.467 5.106 4.640 -0.001 0.000 0.318 274 D C -0.602 175.569 176.300 -0.215 0.000 1.273 274 D CA -0.583 53.300 54.000 -0.194 0.000 1.001 274 D CB 0.100 40.786 40.800 -0.190 0.000 1.411 274 D HN 0.235 nan 8.370 nan 0.000 0.577 275 N N -0.536 118.050 118.700 -0.191 0.000 2.444 275 N HA 0.501 5.241 4.740 -0.001 0.000 0.255 275 N C -0.578 174.749 175.510 -0.305 0.000 1.255 275 N CA 0.196 53.124 53.050 -0.204 0.000 0.933 275 N CB 1.169 39.566 38.487 -0.150 0.000 1.143 275 N HN 0.528 nan 8.380 nan 0.000 0.453 276 I N 1.277 121.644 120.570 -0.340 0.000 2.498 276 I HA 0.215 4.384 4.170 -0.001 0.000 0.290 276 I C -0.064 175.882 176.117 -0.285 0.000 1.032 276 I CA -0.892 60.129 61.300 -0.466 0.000 1.073 276 I CB 1.654 39.263 38.000 -0.651 0.000 1.251 276 I HN 0.254 nan 8.210 nan 0.000 0.426 277 N N 4.688 123.246 118.700 -0.237 0.000 2.317 277 N HA 0.103 4.842 4.740 -0.001 0.000 0.245 277 N C -0.100 175.448 175.510 0.062 0.000 1.294 277 N CA -0.354 52.657 53.050 -0.065 0.000 0.924 277 N CB 0.596 39.064 38.487 -0.031 0.000 1.186 277 N HN 0.547 nan 8.380 nan 0.000 0.495 278 E N 0.378 120.636 120.200 0.096 0.000 2.369 278 E HA 0.053 4.403 4.350 -0.001 0.000 0.255 278 E C -0.458 176.261 176.600 0.197 0.000 1.172 278 E CA -0.183 56.316 56.400 0.166 0.000 0.932 278 E CB 0.524 30.291 29.700 0.111 0.000 1.040 278 E HN 0.488 nan 8.360 nan 0.000 0.454 279 K N -0.542 119.990 120.400 0.221 0.000 3.130 279 K HA -0.239 4.081 4.320 -0.001 0.000 0.282 279 K C -0.425 176.310 176.600 0.225 0.000 1.145 279 K CA 0.832 57.234 56.287 0.192 0.000 0.831 279 K CB -1.746 30.833 32.500 0.132 0.000 1.226 279 K HN 0.484 nan 8.250 nan 0.000 0.478 280 F N 2.257 122.282 119.950 0.124 0.000 2.404 280 F HA 0.267 4.793 4.527 -0.001 0.000 0.358 280 F C 0.094 175.990 175.800 0.160 0.000 1.120 280 F CA -0.644 57.423 58.000 0.112 0.000 1.144 280 F CB 0.918 39.964 39.000 0.076 0.000 1.133 280 F HN 0.054 nan 8.300 nan 0.000 0.495 281 E N 7.616 127.541 120.200 -0.458 0.000 2.216 281 E HA 0.498 4.847 4.350 -0.001 0.000 0.260 281 E C -1.189 175.116 176.600 -0.491 0.000 0.880 281 E CA -0.749 55.458 56.400 -0.321 0.000 0.765 281 E CB 0.976 30.618 29.700 -0.096 0.000 1.174 281 E HN 0.851 nan 8.360 nan 0.000 0.417 282 R N 3.607 123.883 120.500 -0.373 0.000 2.833 282 R HA 0.157 4.496 4.340 -0.001 0.000 0.259 282 R C -1.795 174.527 176.300 0.037 0.000 1.047 282 R CA -0.798 55.177 56.100 -0.208 0.000 0.916 282 R CB 1.241 31.338 30.300 -0.339 0.000 1.259 282 R HN 0.439 nan 8.270 nan 0.000 0.482 283 K N 2.804 123.245 120.400 0.069 0.000 2.262 283 K HA 0.182 4.501 4.320 -0.001 0.000 0.282 283 K C -0.797 175.916 176.600 0.189 0.000 1.066 283 K CA -0.338 56.026 56.287 0.129 0.000 0.901 283 K CB 0.897 33.461 32.500 0.107 0.000 1.089 283 K HN 0.391 nan 8.250 nan 0.000 0.476 284 E N 2.071 122.380 120.200 0.182 0.000 2.232 284 E HA 0.287 4.636 4.350 -0.001 0.000 0.264 284 E C -1.169 175.271 176.600 -0.267 0.000 0.973 284 E CA -0.806 55.610 56.400 0.028 0.000 0.849 284 E CB 2.358 32.106 29.700 0.080 0.000 1.198 284 E HN 0.292 nan 8.360 nan 0.000 0.407 285 V N 0.830 120.428 119.914 -0.527 0.000 2.540 285 V HA 0.336 4.456 4.120 -0.001 0.000 0.302 285 V C -0.825 174.796 176.094 -0.789 0.000 1.035 285 V CA -0.347 61.407 62.300 -0.909 0.000 0.873 285 V CB 1.944 33.019 31.823 -1.246 0.000 0.992 285 V HN 0.584 nan 8.190 nan 0.000 0.428 286 S N 4.909 120.161 115.700 -0.747 0.000 2.532 286 S HA 0.733 5.202 4.470 -0.001 0.000 0.318 286 S C -0.003 174.410 174.600 -0.312 0.000 1.083 286 S CA 0.023 57.952 58.200 -0.453 0.000 1.131 286 S CB 0.337 63.312 63.200 -0.376 0.000 0.973 286 S HN 1.227 nan 8.310 nan 0.000 0.468 287 G N 3.306 111.977 108.800 -0.215 0.000 2.379 287 G HA2 0.636 4.596 3.960 -0.001 0.000 0.327 287 G HA3 0.636 4.596 3.960 -0.001 0.000 0.327 287 G C -1.450 173.446 174.900 -0.007 0.000 1.145 287 G CA -0.517 44.480 45.100 -0.171 0.000 0.905 287 G HN 0.593 nan 8.290 nan 0.000 0.466 288 F N 1.592 121.427 119.950 -0.192 0.000 2.507 288 F HA 0.499 5.025 4.527 -0.001 0.000 0.328 288 F C -0.209 175.497 175.800 -0.157 0.000 1.136 288 F CA -1.585 56.333 58.000 -0.137 0.000 0.930 288 F CB 2.135 41.074 39.000 -0.103 0.000 1.166 288 F HN 0.469 nan 8.300 nan 0.000 0.436 289 E N 6.188 126.006 120.200 -0.637 0.000 2.167 289 E HA 0.494 4.844 4.350 -0.001 0.000 0.284 289 E C -1.640 174.471 176.600 -0.816 0.000 1.016 289 E CA -0.544 55.499 56.400 -0.595 0.000 0.817 289 E CB 0.738 30.256 29.700 -0.303 0.000 1.080 289 E HN 0.643 nan 8.360 nan 0.000 0.397 290 L N 3.122 124.008 121.223 -0.563 0.000 2.334 290 L HA 0.488 4.827 4.340 -0.001 0.000 0.276 290 L C 0.561 177.334 176.870 -0.161 0.000 1.014 290 L CA -0.634 53.984 54.840 -0.370 0.000 0.815 290 L CB 1.909 43.839 42.059 -0.215 0.000 1.268 290 L HN 0.549 nan 8.230 nan 0.000 0.428 291 G N 1.294 110.039 108.800 -0.092 0.000 2.370 291 G HA2 0.559 4.518 3.960 -0.001 0.000 0.272 291 G HA3 0.559 4.518 3.960 -0.001 0.000 0.272 291 G C -0.470 174.376 174.900 -0.090 0.000 1.208 291 G CA -0.272 44.782 45.100 -0.076 0.000 0.856 291 G HN 0.590 nan 8.290 nan 0.000 0.500 292 V N -0.135 119.677 119.914 -0.169 0.000 3.074 292 V HA 0.688 4.807 4.120 -0.001 0.000 0.314 292 V C 1.140 177.147 176.094 -0.144 0.000 1.117 292 V CA -0.068 62.156 62.300 -0.127 0.000 1.014 292 V CB 1.303 33.043 31.823 -0.138 0.000 1.057 292 V HN 0.813 nan 8.190 nan 0.000 0.438 293 T N -1.112 113.394 114.554 -0.080 0.000 2.915 293 T HA 0.334 4.683 4.350 -0.001 0.000 0.269 293 T C 1.229 175.889 174.700 -0.066 0.000 1.071 293 T CA 1.038 63.109 62.100 -0.049 0.000 1.132 293 T CB -0.813 68.059 68.868 0.007 0.000 0.878 293 T HN 2.597 nan 8.240 nan 0.000 0.479 294 G N -0.085 108.656 108.800 -0.099 0.000 2.814 294 G HA2 0.298 4.258 3.960 -0.001 0.000 0.677 294 G HA3 0.298 4.258 3.960 -0.001 0.000 0.677 294 G C 0.031 174.903 174.900 -0.046 0.000 1.429 294 G CA -0.520 44.523 45.100 -0.095 0.000 0.868 294 G HN 0.912 nan 8.290 nan 0.000 0.553 295 G N -1.781 106.997 108.800 -0.037 0.000 2.890 295 G HA2 0.821 4.781 3.960 -0.001 0.000 0.189 295 G HA3 0.821 4.781 3.960 -0.001 0.000 0.189 295 G C 1.764 176.681 174.900 0.028 0.000 1.342 295 G CA 0.982 46.075 45.100 -0.012 0.000 1.026 295 G HN 2.099 nan 8.290 nan 0.000 0.579 296 V N -0.535 119.399 119.914 0.033 0.000 2.439 296 V HA -0.012 4.108 4.120 -0.001 0.000 0.253 296 V C 2.703 178.834 176.094 0.061 0.000 1.074 296 V CA 3.823 66.151 62.300 0.047 0.000 1.076 296 V CB -1.532 30.314 31.823 0.037 0.000 0.664 296 V HN 0.896 nan 8.190 nan 0.000 0.461 297 E N -0.616 119.631 120.200 0.078 0.000 2.401 297 E HA 0.278 4.628 4.350 -0.001 0.000 0.199 297 E C 1.604 178.308 176.600 0.174 0.000 1.023 297 E CA 2.454 58.935 56.400 0.136 0.000 0.859 297 E CB -0.565 29.265 29.700 0.216 0.000 0.780 297 E HN 2.036 nan 8.360 nan 0.000 0.523 298 V N -3.129 116.860 119.914 0.124 0.000 4.210 298 V HA 0.703 4.822 4.120 -0.001 0.000 0.481 298 V C 0.885 177.031 176.094 0.086 0.000 1.776 298 V CA 0.786 63.163 62.300 0.128 0.000 1.990 298 V CB -0.038 31.879 31.823 0.158 0.000 1.062 298 V HN 0.722 nan 8.190 nan 0.000 0.513 299 S N 0.452 116.195 115.700 0.072 0.000 2.407 299 S HA 0.549 5.018 4.470 -0.001 0.000 0.166 299 S C 1.054 175.696 174.600 0.070 0.000 1.445 299 S CA 0.465 58.707 58.200 0.070 0.000 1.260 299 S CB 0.129 63.370 63.200 0.068 0.000 1.401 299 S HN 1.429 nan 8.310 nan 0.000 0.379 300 G N 0.474 109.310 108.800 0.061 0.000 2.615 300 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.213 300 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.213 300 G C 0.593 175.516 174.900 0.038 0.000 1.135 300 G CA 0.830 45.959 45.100 0.048 0.000 0.772 300 G HN 0.596 nan 8.290 nan 0.000 0.542 301 D N -0.006 120.421 120.400 0.045 0.000 2.366 301 D HA 0.184 4.823 4.640 -0.001 0.000 0.205 301 D C 1.990 178.286 176.300 -0.007 0.000 1.022 301 D CA 0.879 54.889 54.000 0.016 0.000 0.868 301 D CB 0.549 41.373 40.800 0.040 0.000 0.953 301 D HN 0.351 nan 8.370 nan 0.000 0.514 302 G N 1.614 110.450 108.800 0.059 0.000 2.561 302 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.289 302 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.289 302 G C -1.646 173.249 174.900 -0.008 0.000 1.169 302 G CA 0.257 45.416 45.100 0.097 0.000 0.980 302 G HN 0.149 nan 8.290 nan 0.000 0.550 303 P HA 0.098 nan 4.420 nan 0.000 0.222 303 P C 1.462 178.636 177.300 -0.209 0.000 1.147 303 P CA 1.705 64.435 63.100 -0.617 0.000 0.790 303 P CB -0.063 31.201 31.700 -0.728 0.000 0.780 304 K N -0.809 119.460 120.400 -0.218 0.000 2.444 304 K HA 0.243 4.563 4.320 -0.001 0.000 0.193 304 K C 0.716 177.460 176.600 0.241 0.000 1.024 304 K CA -0.222 55.962 56.287 -0.172 0.000 1.077 304 K CB 0.087 32.197 32.500 -0.651 0.000 0.833 304 K HN 0.057 nan 8.250 nan 0.000 0.517 305 A N 2.053 124.990 122.820 0.195 0.000 2.409 305 A HA 0.393 4.712 4.320 -0.001 0.000 0.262 305 A C 0.266 177.984 177.584 0.225 0.000 1.113 305 A CA -0.362 51.797 52.037 0.204 0.000 0.790 305 A CB 0.080 19.163 19.000 0.139 0.000 1.046 305 A HN 0.276 nan 8.150 nan 0.000 0.496 306 K N 2.833 123.263 120.400 0.051 0.000 2.295 306 K HA 0.438 4.757 4.320 -0.001 0.000 0.270 306 K C 0.278 176.819 176.600 -0.100 0.000 1.011 306 K CA -0.611 55.516 56.287 -0.267 0.000 0.953 306 K CB 0.272 32.562 32.500 -0.349 0.000 0.956 306 K HN 1.047 nan 8.250 nan 0.000 0.477 307 L N 2.777 123.927 121.223 -0.121 0.000 2.698 307 L HA 0.149 4.488 4.340 -0.001 0.000 0.272 307 L C 0.017 176.876 176.870 -0.018 0.000 1.154 307 L CA 1.290 56.116 54.840 -0.022 0.000 0.964 307 L CB -0.966 41.088 42.059 -0.008 0.000 1.272 307 L HN 0.993 nan 8.230 nan 0.000 0.483 308 E N 4.133 124.338 120.200 0.009 0.000 2.335 308 E HA 0.549 4.899 4.350 -0.001 0.000 0.280 308 E C -1.287 175.328 176.600 0.025 0.000 0.918 308 E CA -0.771 55.642 56.400 0.022 0.000 0.765 308 E CB 1.871 31.587 29.700 0.025 0.000 1.218 308 E HN 0.729 nan 8.360 nan 0.000 0.425 309 A N 3.755 126.600 122.820 0.042 0.000 2.454 309 A HA 0.297 4.616 4.320 -0.001 0.000 0.260 309 A C 0.343 177.932 177.584 0.009 0.000 1.106 309 A CA -0.030 52.009 52.037 0.002 0.000 0.780 309 A CB 0.158 19.206 19.000 0.080 0.000 1.044 309 A HN 0.731 nan 8.150 nan 0.000 0.498 310 R N 1.146 121.541 120.500 -0.175 0.000 2.549 310 R HA 0.482 4.822 4.340 -0.001 0.000 0.344 310 R C -0.075 175.963 176.300 -0.436 0.000 0.979 310 R CA 0.716 56.750 56.100 -0.110 0.000 1.140 310 R CB 0.742 31.035 30.300 -0.013 0.000 1.377 310 R HN 0.881 nan 8.270 nan 0.000 0.541 311 A N 0.631 122.820 122.820 -1.052 0.000 2.544 311 A HA 0.509 4.829 4.320 -0.001 0.000 0.291 311 A C -1.162 175.801 177.584 -1.034 0.000 1.055 311 A CA -0.647 50.716 52.037 -1.123 0.000 0.651 311 A CB 1.080 19.786 19.000 -0.490 0.000 1.296 311 A HN 0.075 nan 8.150 nan 0.000 0.431 312 S N -0.454 114.911 115.700 -0.559 0.000 2.607 312 S HA 0.834 5.304 4.470 -0.001 0.000 0.303 312 S C -1.026 173.502 174.600 -0.120 0.000 1.086 312 S CA -0.545 57.508 58.200 -0.244 0.000 0.995 312 S CB 1.678 64.857 63.200 -0.035 0.000 1.084 312 S HN 1.925 nan 8.310 nan 0.000 0.507 313 Y N 0.516 120.674 120.300 -0.236 0.000 2.421 313 Y HA 0.542 5.092 4.550 -0.001 0.000 0.339 313 Y C -1.028 174.748 175.900 -0.206 0.000 0.996 313 Y CA -0.535 57.441 58.100 -0.207 0.000 1.046 313 Y CB 1.985 40.328 38.460 -0.194 0.000 1.226 313 Y HN 0.782 nan 8.280 nan 0.000 0.445 314 T N 6.679 120.771 114.554 -0.769 0.000 2.781 314 T HA 0.183 4.532 4.350 -0.001 0.000 0.305 314 T C -0.578 173.532 174.700 -0.984 0.000 1.001 314 T CA -0.405 61.276 62.100 -0.698 0.000 0.950 314 T CB 0.373 69.009 68.868 -0.386 0.000 0.955 314 T HN 0.642 nan 8.240 nan 0.000 0.471 315 Q N 2.795 122.120 119.800 -0.792 0.000 2.294 315 Q HA 0.377 4.717 4.340 -0.001 0.000 0.257 315 Q C -0.708 175.138 176.000 -0.258 0.000 0.955 315 Q CA -0.236 55.275 55.803 -0.487 0.000 0.936 315 Q CB 0.508 29.146 28.738 -0.166 0.000 1.188 315 Q HN 0.516 nan 8.270 nan 0.000 0.420 316 S N 3.754 119.320 115.700 -0.223 0.000 2.537 316 S HA 0.605 5.074 4.470 -0.001 0.000 0.301 316 S C -0.860 173.595 174.600 -0.241 0.000 1.092 316 S CA -0.851 57.179 58.200 -0.282 0.000 1.048 316 S CB 1.133 64.104 63.200 -0.382 0.000 1.053 316 S HN 0.506 nan 8.310 nan 0.000 0.501 317 R N 1.183 121.468 120.500 -0.359 0.000 2.480 317 R HA 0.290 4.629 4.340 -0.001 0.000 0.306 317 R C -1.685 174.356 176.300 -0.431 0.000 0.958 317 R CA -0.380 55.576 56.100 -0.240 0.000 0.861 317 R CB 1.115 31.319 30.300 -0.160 0.000 1.171 317 R HN 0.618 nan 8.270 nan 0.000 0.445 318 W N 4.250 125.477 121.300 -0.122 0.000 2.338 318 W HA 0.455 5.114 4.660 -0.001 0.000 0.307 318 W C 0.045 176.459 176.519 -0.173 0.000 1.167 318 W CA -0.402 56.856 57.345 -0.146 0.000 1.208 318 W CB 0.853 30.250 29.460 -0.104 0.000 1.228 318 W HN 0.247 nan 8.180 nan 0.000 0.499 319 L N 4.016 125.205 121.223 -0.057 0.000 2.372 319 L HA 0.411 4.751 4.340 -0.001 0.000 0.273 319 L C -0.066 176.689 176.870 -0.191 0.000 0.989 319 L CA -0.688 54.039 54.840 -0.188 0.000 0.841 319 L CB 1.385 43.288 42.059 -0.261 0.000 1.225 319 L HN 0.222 nan 8.230 nan 0.000 0.414 320 T N 1.915 116.337 114.554 -0.221 0.000 2.749 320 T HA 0.451 4.800 4.350 -0.001 0.000 0.295 320 T C -0.711 173.832 174.700 -0.262 0.000 0.936 320 T CA 0.019 62.035 62.100 -0.141 0.000 1.060 320 T CB 0.149 68.965 68.868 -0.088 0.000 0.904 320 T HN 0.133 nan 8.240 nan 0.000 0.500 321 Y N 2.734 123.120 120.300 0.144 0.000 2.409 321 Y HA 0.533 5.083 4.550 -0.001 0.000 0.339 321 Y C 0.693 176.689 175.900 0.160 0.000 1.033 321 Y CA -1.159 57.091 58.100 0.251 0.000 1.094 321 Y CB 1.452 40.193 38.460 0.468 0.000 1.210 321 Y HN 0.549 nan 8.280 nan 0.000 0.456 322 N N 0.493 119.424 118.700 0.384 0.000 2.824 322 N HA 0.015 4.755 4.740 -0.001 0.000 0.224 322 N C 0.211 175.964 175.510 0.405 0.000 1.418 322 N CA 0.147 53.360 53.050 0.272 0.000 0.743 322 N CB 0.319 38.894 38.487 0.147 0.000 1.395 322 N HN 0.651 nan 8.380 nan 0.000 0.548 323 T N -1.121 113.740 114.554 0.512 0.000 2.915 323 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 323 T C 1.047 176.068 174.700 0.536 0.000 1.071 323 T CA 1.230 63.694 62.100 0.607 0.000 1.132 323 T CB -0.104 69.082 68.868 0.531 0.000 0.878 323 T HN 0.531 nan 8.240 nan 0.000 0.479 324 Q N 0.579 120.607 119.800 0.380 0.000 2.267 324 Q HA -0.282 4.057 4.340 -0.001 0.000 0.429 324 Q C 1.096 177.272 176.000 0.294 0.000 0.637 324 Q CA 1.971 57.960 55.803 0.310 0.000 0.942 324 Q CB -1.408 27.516 28.738 0.309 0.000 2.719 324 Q HN 0.485 nan 8.270 nan 0.000 0.927 325 D N -0.261 120.309 120.400 0.283 0.000 2.310 325 D HA -0.016 4.624 4.640 -0.001 0.000 0.212 325 D C 0.181 176.462 176.300 -0.033 0.000 0.965 325 D CA 1.205 55.251 54.000 0.077 0.000 0.879 325 D CB -0.124 40.636 40.800 -0.067 0.000 0.921 325 D HN 0.156 nan 8.370 nan 0.000 0.510 326 Y N -0.308 120.148 120.300 0.261 0.000 2.453 326 Y HA 0.580 5.129 4.550 -0.001 0.000 0.326 326 Y C 1.306 177.325 175.900 0.197 0.000 1.186 326 Y CA -0.858 57.403 58.100 0.269 0.000 1.200 326 Y CB 0.796 39.539 38.460 0.471 0.000 1.247 326 Y HN -0.286 nan 8.280 nan 0.000 0.482 327 R N 1.553 122.210 120.500 0.263 0.000 2.732 327 R HA 0.823 5.163 4.340 -0.001 0.000 0.278 327 R C -1.281 175.018 176.300 -0.001 0.000 0.976 327 R CA -0.853 55.299 56.100 0.087 0.000 0.963 327 R CB 0.646 30.966 30.300 0.033 0.000 1.150 327 R HN 0.830 nan 8.270 nan 0.000 0.478 328 I N 1.948 122.402 120.570 -0.194 0.000 2.330 328 I HA 0.492 4.662 4.170 -0.001 0.000 0.289 328 I C 0.644 176.659 176.117 -0.170 0.000 1.001 328 I CA -0.724 60.363 61.300 -0.355 0.000 1.193 328 I CB 1.782 39.354 38.000 -0.714 0.000 1.345 328 I HN 0.906 nan 8.210 nan 0.000 0.461 329 E N 6.848 127.016 120.200 -0.055 0.000 2.134 329 E HA 0.434 4.784 4.350 -0.001 0.000 0.278 329 E C -0.530 176.065 176.600 -0.009 0.000 0.959 329 E CA -0.930 55.452 56.400 -0.029 0.000 0.783 329 E CB 1.596 31.296 29.700 0.000 0.000 1.095 329 E HN 0.654 nan 8.360 nan 0.000 0.399 330 R N 2.458 122.927 120.500 -0.053 0.000 2.312 330 R HA 0.415 4.755 4.340 -0.001 0.000 0.311 330 R C -0.786 175.414 176.300 -0.166 0.000 1.004 330 R CA -0.302 55.712 56.100 -0.143 0.000 0.902 330 R CB 0.644 30.891 30.300 -0.089 0.000 1.073 330 R HN 0.719 nan 8.270 nan 0.000 0.457 331 N N 2.618 121.185 118.700 -0.222 0.000 2.480 331 N HA 0.327 5.066 4.740 -0.001 0.000 0.289 331 N C -1.803 173.613 175.510 -0.157 0.000 1.073 331 N CA -0.452 52.511 53.050 -0.145 0.000 0.885 331 N CB 1.845 40.281 38.487 -0.084 0.000 1.421 331 N HN 0.660 nan 8.380 nan 0.000 0.503 332 A N 2.903 125.648 122.820 -0.125 0.000 2.412 332 A HA 0.485 4.804 4.320 -0.001 0.000 0.334 332 A C 1.058 178.608 177.584 -0.057 0.000 1.419 332 A CA -0.423 51.555 52.037 -0.098 0.000 0.930 332 A CB 0.708 19.647 19.000 -0.102 0.000 1.149 332 A HN 0.858 nan 8.150 nan 0.000 0.515 333 K N 2.167 122.545 120.400 -0.036 0.000 2.057 333 K HA -0.080 4.240 4.320 -0.001 0.000 0.207 333 K C 0.587 177.177 176.600 -0.016 0.000 1.049 333 K CA 2.163 58.437 56.287 -0.021 0.000 0.931 333 K CB -0.769 31.726 32.500 -0.008 0.000 0.714 333 K HN 1.072 nan 8.250 nan 0.000 0.440 334 N N -4.767 113.928 118.700 -0.008 0.000 3.526 334 N HA 0.500 5.240 4.740 -0.001 0.000 0.328 334 N C 0.759 176.273 175.510 0.006 0.000 1.601 334 N CA 0.061 53.109 53.050 -0.003 0.000 0.834 334 N CB 0.506 38.995 38.487 0.004 0.000 1.983 334 N HN 0.057 nan 8.380 nan 0.000 0.579 335 A N -1.354 121.475 122.820 0.015 0.000 2.119 335 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 335 A C 1.320 178.958 177.584 0.091 0.000 1.153 335 A CA 1.265 53.319 52.037 0.027 0.000 0.692 335 A CB -0.613 18.398 19.000 0.019 0.000 0.799 335 A HN 0.558 nan 8.150 nan 0.000 0.458 336 Q N -1.081 118.788 119.800 0.114 0.000 2.392 336 Q HA 0.484 4.823 4.340 -0.001 0.000 0.219 336 Q C 0.432 176.599 176.000 0.277 0.000 0.895 336 Q CA 0.939 56.874 55.803 0.221 0.000 0.929 336 Q CB 0.486 29.288 28.738 0.106 0.000 1.077 336 Q HN 0.529 nan 8.270 nan 0.000 0.532 337 A N -0.007 122.906 122.820 0.155 0.000 2.371 337 A HA 0.780 5.099 4.320 -0.001 0.000 0.311 337 A C -1.409 176.222 177.584 0.079 0.000 1.068 337 A CA -0.667 51.463 52.037 0.155 0.000 0.744 337 A CB 1.796 20.855 19.000 0.099 0.000 1.239 337 A HN 0.031 nan 8.150 nan 0.000 0.435 338 V N 2.019 121.997 119.914 0.108 0.000 2.932 338 V HA 0.817 4.936 4.120 -0.001 0.000 0.307 338 V C -0.598 175.495 176.094 -0.003 0.000 1.147 338 V CA 0.262 62.535 62.300 -0.045 0.000 0.951 338 V CB 2.464 34.191 31.823 -0.160 0.000 1.031 338 V HN 1.694 nan 8.190 nan 0.000 0.426 339 S N 5.323 120.901 115.700 -0.203 0.000 2.542 339 S HA 0.850 5.319 4.470 -0.001 0.000 0.293 339 S C -1.337 173.050 174.600 -0.355 0.000 1.089 339 S CA -0.545 57.605 58.200 -0.082 0.000 0.961 339 S CB 1.795 65.011 63.200 0.027 0.000 1.062 339 S HN 0.566 nan 8.310 nan 0.000 0.483 340 F N 0.898 121.089 119.950 0.401 0.000 2.460 340 F HA 0.501 5.027 4.527 -0.001 0.000 0.341 340 F C 0.238 176.336 175.800 0.498 0.000 1.130 340 F CA -0.412 57.812 58.000 0.373 0.000 0.962 340 F CB 2.337 41.624 39.000 0.479 0.000 1.171 340 F HN 0.574 nan 8.300 nan 0.000 0.436 341 T N 2.958 117.769 114.554 0.427 0.000 2.786 341 T HA 0.171 4.521 4.350 -0.001 0.000 0.283 341 T C -0.758 174.194 174.700 0.420 0.000 0.992 341 T CA -0.485 61.873 62.100 0.429 0.000 0.954 341 T CB 0.821 69.825 68.868 0.226 0.000 0.934 341 T HN 0.451 nan 8.240 nan 0.000 0.440 342 W N 4.076 125.574 121.300 0.330 0.000 2.433 342 W HA 0.275 4.934 4.660 -0.001 0.000 0.331 342 W C -0.016 176.702 176.519 0.333 0.000 1.110 342 W CA -0.518 57.019 57.345 0.320 0.000 1.450 342 W CB 0.215 29.802 29.460 0.211 0.000 1.348 342 W HN 0.603 nan 8.180 nan 0.000 0.415 343 N N 2.356 121.337 118.700 0.468 0.000 2.430 343 N HA 0.264 5.003 4.740 -0.001 0.000 0.292 343 N C -0.151 175.509 175.510 0.250 0.000 1.051 343 N CA -0.623 52.623 53.050 0.326 0.000 0.917 343 N CB 1.266 39.843 38.487 0.151 0.000 1.164 343 N HN 0.129 nan 8.380 nan 0.000 0.484 344 R N 1.575 122.089 120.500 0.023 0.000 2.522 344 R HA -0.047 4.292 4.340 -0.001 0.000 0.284 344 R C 0.421 176.644 176.300 -0.128 0.000 1.032 344 R CA 0.273 56.191 56.100 -0.304 0.000 1.049 344 R CB 0.727 30.846 30.300 -0.301 0.000 0.956 344 R HN 0.621 nan 8.270 nan 0.000 0.422 345 Q N 1.621 121.341 119.800 -0.133 0.000 2.586 345 Q HA 0.037 4.376 4.340 -0.001 0.000 0.243 345 Q C -0.383 175.553 176.000 -0.107 0.000 0.846 345 Q CA 0.773 56.532 55.803 -0.074 0.000 0.959 345 Q CB 0.553 29.276 28.738 -0.025 0.000 1.227 345 Q HN 0.431 nan 8.270 nan 0.000 0.611 346 Q N 0.196 119.926 119.800 -0.118 0.000 2.256 346 Q HA 0.317 4.657 4.340 -0.001 0.000 0.254 346 Q C -1.350 174.592 176.000 -0.097 0.000 0.916 346 Q CA -0.191 55.511 55.803 -0.169 0.000 0.932 346 Q CB 0.372 29.059 28.738 -0.085 0.000 1.207 346 Q HN 0.281 nan 8.270 nan 0.000 0.426 347 Y N 0.878 121.142 120.300 -0.060 0.000 3.001 347 Y HA -0.313 4.236 4.550 -0.001 0.000 0.199 347 Y C 0.813 176.661 175.900 -0.087 0.000 1.320 347 Y CA 0.717 58.779 58.100 -0.063 0.000 0.974 347 Y CB -1.879 36.552 38.460 -0.048 0.000 1.291 347 Y HN 0.688 nan 8.280 nan 0.000 0.465 348 A N -0.905 121.914 122.820 -0.003 0.000 2.132 348 A HA 0.199 4.519 4.320 -0.001 0.000 0.213 348 A C 1.359 178.929 177.584 -0.024 0.000 1.154 348 A CA 1.075 53.088 52.037 -0.040 0.000 0.753 348 A CB 0.041 19.002 19.000 -0.064 0.000 0.826 348 A HN 0.555 nan 8.150 nan 0.000 0.469 349 T N -5.108 109.444 114.554 -0.003 0.000 2.950 349 T HA 0.659 5.008 4.350 -0.001 0.000 0.288 349 T C 1.014 175.710 174.700 -0.008 0.000 1.035 349 T CA -0.099 61.994 62.100 -0.011 0.000 1.028 349 T CB 1.692 70.554 68.868 -0.010 0.000 1.109 349 T HN 0.372 nan 8.240 nan 0.000 0.514 350 A N 0.292 123.095 122.820 -0.029 0.000 1.969 350 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 350 A C 2.173 179.719 177.584 -0.063 0.000 1.169 350 A CA 1.779 53.786 52.037 -0.050 0.000 0.635 350 A CB -1.110 17.861 19.000 -0.048 0.000 0.810 350 A HN 1.018 nan 8.150 nan 0.000 0.445 351 E N 1.083 121.259 120.200 -0.041 0.000 2.085 351 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 351 E C 2.045 178.636 176.600 -0.015 0.000 0.994 351 E CA 2.078 58.461 56.400 -0.030 0.000 0.801 351 E CB -0.350 29.352 29.700 0.003 0.000 0.743 351 E HN 0.654 nan 8.360 nan 0.000 0.453 352 S N -0.346 115.368 115.700 0.023 0.000 2.507 352 S HA -0.072 4.398 4.470 -0.001 0.000 0.235 352 S C 1.776 176.442 174.600 0.109 0.000 0.988 352 S CA 0.837 59.097 58.200 0.100 0.000 0.944 352 S CB -0.365 62.931 63.200 0.160 0.000 0.762 352 S HN 0.366 nan 8.310 nan 0.000 0.526 353 L N 0.430 121.640 121.223 -0.022 0.000 2.509 353 L HA 0.330 4.670 4.340 -0.001 0.000 0.222 353 L C 0.414 177.152 176.870 -0.221 0.000 1.123 353 L CA -0.079 54.675 54.840 -0.144 0.000 0.856 353 L CB -0.386 41.570 42.059 -0.172 0.000 0.985 353 L HN 0.253 nan 8.230 nan 0.000 0.456 354 L N 2.654 123.764 121.223 -0.187 0.000 2.513 354 L HA -0.016 4.324 4.340 -0.001 0.000 0.272 354 L C 0.835 177.581 176.870 -0.207 0.000 1.187 354 L CA -0.016 54.677 54.840 -0.245 0.000 0.895 354 L CB 0.144 42.103 42.059 -0.167 0.000 1.147 354 L HN 0.313 nan 8.230 nan 0.000 0.483 355 N N 4.501 123.034 118.700 -0.278 0.000 2.275 355 N HA 0.098 4.837 4.740 -0.001 0.000 0.236 355 N C -0.339 175.064 175.510 -0.180 0.000 1.154 355 N CA -0.562 52.367 53.050 -0.200 0.000 0.866 355 N CB 0.525 38.887 38.487 -0.208 0.000 1.093 355 N HN 0.741 nan 8.380 nan 0.000 0.515 356 R N -2.221 118.169 120.500 -0.183 0.000 2.644 356 R HA 0.366 4.706 4.340 -0.001 0.000 0.257 356 R C -0.677 175.671 176.300 0.079 0.000 1.082 356 R CA -0.547 55.502 56.100 -0.085 0.000 0.927 356 R CB 0.332 30.535 30.300 -0.161 0.000 1.258 356 R HN -0.046 nan 8.270 nan 0.000 0.459 357 S N -0.127 115.676 115.700 0.172 0.000 2.564 357 S HA 0.148 4.618 4.470 -0.001 0.000 0.231 357 S C 0.553 175.240 174.600 0.143 0.000 1.067 357 S CA 0.694 59.006 58.200 0.187 0.000 0.908 357 S CB 0.434 63.664 63.200 0.050 0.000 0.809 357 S HN 0.910 nan 8.310 nan 0.000 0.491 358 T N -0.943 113.689 114.554 0.130 0.000 2.883 358 T HA 0.778 5.128 4.350 -0.001 0.000 0.301 358 T C -2.091 172.658 174.700 0.082 0.000 1.158 358 T CA -0.604 61.513 62.100 0.028 0.000 1.007 358 T CB 2.478 71.348 68.868 0.003 0.000 1.186 358 T HN 0.060 nan 8.240 nan 0.000 0.499 359 D N -0.624 119.794 120.400 0.030 0.000 2.671 359 D HA 0.561 5.200 4.640 -0.001 0.000 0.273 359 D C -0.610 175.628 176.300 -0.104 0.000 1.264 359 D CA -0.528 53.479 54.000 0.012 0.000 0.788 359 D CB 2.140 43.025 40.800 0.142 0.000 1.324 359 D HN 0.948 nan 8.370 nan 0.000 0.424 360 A N 0.104 122.723 122.820 -0.335 0.000 2.332 360 A HA 0.556 4.875 4.320 -0.001 0.000 0.258 360 A C 1.537 178.761 177.584 -0.600 0.000 1.087 360 A CA 0.352 51.965 52.037 -0.707 0.000 0.802 360 A CB -0.013 17.982 19.000 -1.673 0.000 1.042 360 A HN 0.708 nan 8.150 nan 0.000 0.489 361 L N -0.528 120.406 121.223 -0.481 0.000 2.450 361 L HA -0.005 4.335 4.340 -0.001 0.000 0.224 361 L C 1.759 178.638 176.870 0.016 0.000 1.149 361 L CA 2.224 56.970 54.840 -0.156 0.000 0.816 361 L CB -2.144 39.856 42.059 -0.098 0.000 0.932 361 L HN 1.176 nan 8.230 nan 0.000 0.449 362 W N -1.794 119.591 121.300 0.141 0.000 3.345 362 W HA 0.537 5.197 4.660 -0.001 0.000 0.282 362 W C -0.081 176.535 176.519 0.160 0.000 1.302 362 W CA -0.740 56.686 57.345 0.135 0.000 1.724 362 W CB -0.919 28.599 29.460 0.097 0.000 1.104 362 W HN -0.036 nan 8.180 nan 0.000 0.694 363 V N 3.439 123.429 119.914 0.127 0.000 2.439 363 V HA 0.221 4.340 4.120 -0.001 0.000 0.282 363 V C -0.348 175.916 176.094 0.283 0.000 1.039 363 V CA -0.579 61.847 62.300 0.211 0.000 0.913 363 V CB 1.298 33.205 31.823 0.140 0.000 0.983 363 V HN 0.151 nan 8.190 nan 0.000 0.460 364 N N 2.943 121.810 118.700 0.278 0.000 2.791 364 N HA 0.283 5.022 4.740 -0.001 0.000 0.265 364 N C -0.842 174.847 175.510 0.299 0.000 1.580 364 N CA -0.152 53.090 53.050 0.320 0.000 0.809 364 N CB 1.243 39.884 38.487 0.255 0.000 1.178 364 N HN 0.667 nan 8.380 nan 0.000 0.499 365 T N 1.620 116.324 114.554 0.249 0.000 2.841 365 T HA 0.169 4.518 4.350 -0.001 0.000 0.283 365 T C -0.620 173.973 174.700 -0.178 0.000 1.000 365 T CA -0.375 61.776 62.100 0.085 0.000 0.977 365 T CB 1.053 69.924 68.868 0.007 0.000 0.979 365 T HN 0.198 nan 8.240 nan 0.000 0.446 366 Y N 6.663 126.702 120.300 -0.435 0.000 2.745 366 Y HA 0.149 4.698 4.550 -0.001 0.000 0.335 366 Y C -1.506 173.816 175.900 -0.965 0.000 1.212 366 Y CA -1.844 55.631 58.100 -1.042 0.000 1.535 366 Y CB 0.665 38.559 38.460 -0.944 0.000 1.220 366 Y HN 0.370 nan 8.280 nan 0.000 0.531 367 P HA 0.049 nan 4.420 nan 0.000 0.256 367 P C -0.804 175.872 177.300 -1.040 0.000 1.384 367 P CA 0.444 62.790 63.100 -1.257 0.000 0.879 367 P CB 0.200 30.919 31.700 -1.635 0.000 1.403 368 V N 0.870 119.975 119.914 -1.347 0.000 2.555 368 V HA 0.303 4.422 4.120 -0.001 0.000 0.302 368 V C -0.207 175.480 176.094 -0.679 0.000 1.038 368 V CA -0.444 61.236 62.300 -1.034 0.000 0.887 368 V CB 2.260 33.353 31.823 -1.217 0.000 0.991 368 V HN -0.091 nan 8.190 nan 0.000 0.434 369 D N 3.267 123.425 120.400 -0.404 0.000 2.485 369 D HA 0.176 4.816 4.640 -0.001 0.000 0.229 369 D C 0.532 176.713 176.300 -0.198 0.000 1.101 369 D CA -0.107 53.746 54.000 -0.245 0.000 0.906 369 D CB 1.667 42.334 40.800 -0.220 0.000 1.019 369 D HN 0.239 nan 8.370 nan 0.000 0.516 370 V N 4.292 124.150 119.914 -0.094 0.000 3.078 370 V HA -0.121 3.998 4.120 -0.001 0.000 0.265 370 V C 1.336 177.408 176.094 -0.037 0.000 1.122 370 V CA 1.140 63.411 62.300 -0.048 0.000 1.141 370 V CB -0.402 31.443 31.823 0.037 0.000 0.735 370 V HN 0.466 nan 8.190 nan 0.000 0.498 371 N N 0.414 119.084 118.700 -0.051 0.000 2.494 371 N HA -0.030 4.710 4.740 -0.001 0.000 0.182 371 N C 1.733 177.198 175.510 -0.076 0.000 1.076 371 N CA 0.636 53.673 53.050 -0.022 0.000 0.908 371 N CB -0.231 38.246 38.487 -0.017 0.000 0.967 371 N HN 0.538 nan 8.380 nan 0.000 0.449 372 R N 0.202 120.570 120.500 -0.219 0.000 2.189 372 R HA 0.134 4.474 4.340 -0.001 0.000 0.218 372 R C 0.385 176.516 176.300 -0.281 0.000 1.074 372 R CA 0.418 56.245 56.100 -0.455 0.000 0.991 372 R CB 0.082 29.760 30.300 -1.037 0.000 0.883 372 R HN 0.166 nan 8.270 nan 0.000 0.457 373 I N 1.852 122.367 120.570 -0.091 0.000 2.379 373 I HA 0.068 4.238 4.170 -0.001 0.000 0.290 373 I C 0.768 176.998 176.117 0.188 0.000 1.063 373 I CA -0.241 61.113 61.300 0.090 0.000 1.351 373 I CB 1.117 39.218 38.000 0.169 0.000 1.410 373 I HN 0.169 nan 8.210 nan 0.000 0.505 374 S N 8.568 124.375 115.700 0.179 0.000 2.560 374 S HA 0.201 4.671 4.470 -0.001 0.000 0.284 374 S C -1.320 173.325 174.600 0.074 0.000 1.327 374 S CA -1.196 57.099 58.200 0.158 0.000 1.055 374 S CB -0.009 63.314 63.200 0.204 0.000 0.868 374 S HN 0.423 nan 8.310 nan 0.000 0.506 375 P HA -0.104 nan 4.420 nan 0.000 0.218 375 P C 1.113 178.217 177.300 -0.327 0.000 1.146 375 P CA 0.690 63.557 63.100 -0.389 0.000 0.813 375 P CB -0.127 31.479 31.700 -0.156 0.000 0.778 376 L N -3.267 117.957 121.223 0.002 0.000 2.633 376 L HA 0.068 4.408 4.340 -0.001 0.000 0.235 376 L C 1.418 178.442 176.870 0.256 0.000 1.163 376 L CA 1.474 56.403 54.840 0.149 0.000 0.859 376 L CB -2.207 40.023 42.059 0.286 0.000 0.973 376 L HN -0.200 nan 8.230 nan 0.000 0.451 377 S N -0.911 114.918 115.700 0.215 0.000 2.558 377 S HA 0.114 4.583 4.470 -0.001 0.000 0.217 377 S C 1.010 175.806 174.600 0.327 0.000 0.975 377 S CA 0.763 59.195 58.200 0.387 0.000 0.912 377 S CB -0.311 63.143 63.200 0.423 0.000 0.776 377 S HN 0.859 nan 8.310 nan 0.000 0.526 378 Y N -3.016 117.429 120.300 0.242 0.000 2.498 378 Y HA 0.574 5.123 4.550 -0.001 0.000 0.298 378 Y C 1.487 177.465 175.900 0.130 0.000 0.994 378 Y CA -0.238 57.950 58.100 0.145 0.000 0.958 378 Y CB -0.441 38.068 38.460 0.082 0.000 1.402 378 Y HN 0.022 nan 8.280 nan 0.000 0.581 379 A N 1.078 123.745 122.820 -0.255 0.000 1.835 379 A HA 0.415 4.735 4.320 -0.001 0.000 0.213 379 A C 0.964 178.701 177.584 0.255 0.000 1.210 379 A CA 1.460 53.565 52.037 0.113 0.000 0.605 379 A CB -0.702 18.250 19.000 -0.080 0.000 0.860 379 A HN 0.383 nan 8.150 nan 0.000 0.447 380 S N -1.866 113.882 115.700 0.081 0.000 2.614 380 S HA 0.561 5.030 4.470 -0.001 0.000 0.275 380 S C -1.795 172.827 174.600 0.037 0.000 1.161 380 S CA -0.500 57.742 58.200 0.069 0.000 0.969 380 S CB 0.946 64.146 63.200 -0.000 0.000 1.059 380 S HN 0.653 nan 8.310 nan 0.000 0.482 381 F N 5.585 125.422 119.950 -0.189 0.000 2.536 381 F HA 0.718 5.245 4.527 -0.001 0.000 0.322 381 F C -1.486 174.076 175.800 -0.396 0.000 1.144 381 F CA -0.558 57.205 58.000 -0.394 0.000 0.924 381 F CB 1.604 40.105 39.000 -0.831 0.000 1.181 381 F HN 0.319 nan 8.300 nan 0.000 0.438 382 V N 8.212 127.400 119.914 -1.210 0.000 2.325 382 V HA 0.405 4.524 4.120 -0.001 0.000 0.280 382 V C -2.120 173.212 176.094 -1.269 0.000 1.016 382 V CA -1.416 60.309 62.300 -0.958 0.000 0.818 382 V CB 1.088 32.607 31.823 -0.507 0.000 1.019 382 V HN 0.641 nan 8.190 nan 0.000 0.434 383 P HA 0.451 nan 4.420 nan 0.000 0.276 383 P C -1.113 175.852 177.300 -0.558 0.000 1.244 383 P CA -0.512 61.896 63.100 -1.153 0.000 0.801 383 P CB 1.316 32.229 31.700 -1.311 0.000 1.006 384 K N 2.478 122.734 120.400 -0.240 0.000 2.513 384 K HA 0.600 4.920 4.320 -0.001 0.000 0.251 384 K C -0.016 176.607 176.600 0.038 0.000 0.939 384 K CA -0.355 55.813 56.287 -0.198 0.000 0.793 384 K CB 2.299 34.505 32.500 -0.489 0.000 1.241 384 K HN 0.732 nan 8.250 nan 0.000 0.431 385 M N -0.473 119.120 119.600 -0.012 0.000 2.895 385 M HA 0.513 4.992 4.480 -0.001 0.000 0.271 385 M C -1.980 174.269 176.300 -0.085 0.000 1.174 385 M CA -0.828 54.434 55.300 -0.064 0.000 0.816 385 M CB 2.487 34.940 32.600 -0.246 0.000 1.647 385 M HN 0.289 nan 8.290 nan 0.000 0.506 386 D N 0.949 121.263 120.400 -0.143 0.000 2.936 386 D HA 0.689 5.328 4.640 -0.001 0.000 0.238 386 D C -2.023 174.161 176.300 -0.193 0.000 1.248 386 D CA -0.160 53.764 54.000 -0.127 0.000 0.903 386 D CB 2.574 43.329 40.800 -0.074 0.000 1.544 386 D HN 0.583 nan 8.370 nan 0.000 0.543 387 V N 4.869 124.625 119.914 -0.263 0.000 2.531 387 V HA 0.511 4.631 4.120 -0.001 0.000 0.301 387 V C -0.118 175.812 176.094 -0.272 0.000 1.034 387 V CA -0.647 61.452 62.300 -0.334 0.000 0.865 387 V CB 1.712 33.174 31.823 -0.601 0.000 0.995 387 V HN 0.529 nan 8.190 nan 0.000 0.424 388 I N 5.274 125.645 120.570 -0.332 0.000 2.382 388 I HA 0.450 4.619 4.170 -0.001 0.000 0.285 388 I C -1.051 174.884 176.117 -0.303 0.000 1.007 388 I CA -0.516 60.584 61.300 -0.334 0.000 1.142 388 I CB 1.242 38.909 38.000 -0.556 0.000 1.289 388 I HN 0.473 nan 8.210 nan 0.000 0.453 389 Y N 5.688 125.938 120.300 -0.083 0.000 2.352 389 Y HA 0.493 5.042 4.550 -0.001 0.000 0.326 389 Y C 0.276 176.205 175.900 0.048 0.000 1.166 389 Y CA -0.398 57.728 58.100 0.043 0.000 1.182 389 Y CB 1.651 40.242 38.460 0.219 0.000 1.216 389 Y HN 0.466 nan 8.280 nan 0.000 0.474 390 K N 1.121 121.650 120.400 0.216 0.000 2.443 390 K HA 0.998 5.317 4.320 -0.001 0.000 0.251 390 K C -1.767 174.802 176.600 -0.052 0.000 0.972 390 K CA -1.146 55.196 56.287 0.091 0.000 0.833 390 K CB 2.446 34.972 32.500 0.042 0.000 1.317 390 K HN 0.606 nan 8.250 nan 0.000 0.441 391 A N 0.685 123.356 122.820 -0.248 0.000 2.556 391 A HA 0.583 4.902 4.320 -0.001 0.000 0.294 391 A C -0.587 176.786 177.584 -0.353 0.000 1.091 391 A CA -0.691 51.017 52.037 -0.547 0.000 0.704 391 A CB 1.390 19.503 19.000 -1.478 0.000 1.300 391 A HN 0.920 nan 8.150 nan 0.000 0.406 392 S N 0.556 116.066 115.700 -0.316 0.000 2.576 392 S HA 0.372 4.842 4.470 -0.001 0.000 0.272 392 S C 1.331 175.843 174.600 -0.148 0.000 1.352 392 S CA 0.219 58.312 58.200 -0.180 0.000 1.021 392 S CB 0.904 64.015 63.200 -0.149 0.000 0.887 392 S HN 2.053 nan 8.310 nan 0.000 0.542 393 A N 1.867 124.651 122.820 -0.060 0.000 2.024 393 A HA -0.008 4.311 4.320 -0.001 0.000 0.220 393 A C 2.124 179.708 177.584 0.000 0.000 1.164 393 A CA 1.779 53.813 52.037 -0.005 0.000 0.643 393 A CB -1.379 17.634 19.000 0.020 0.000 0.806 393 A HN 1.313 nan 8.150 nan 0.000 0.451 394 T N -2.902 111.634 114.554 -0.030 0.000 3.134 394 T HA 0.313 4.662 4.350 -0.001 0.000 0.260 394 T C 0.284 174.962 174.700 -0.038 0.000 1.027 394 T CA 0.123 62.217 62.100 -0.011 0.000 0.913 394 T CB -0.044 68.819 68.868 -0.008 0.000 1.046 394 T HN 0.284 nan 8.240 nan 0.000 0.553 395 E N 1.912 122.042 120.200 -0.116 0.000 2.437 395 E HA 0.380 4.729 4.350 -0.001 0.000 0.263 395 E C 0.096 176.686 176.600 -0.015 0.000 1.030 395 E CA 0.369 56.660 56.400 -0.182 0.000 0.934 395 E CB 0.721 30.103 29.700 -0.530 0.000 0.943 395 E HN 0.330 nan 8.360 nan 0.000 0.444 396 T N 1.501 116.075 114.554 0.033 0.000 2.831 396 T HA 0.708 5.057 4.350 -0.001 0.000 0.287 396 T C 0.086 174.918 174.700 0.221 0.000 1.070 396 T CA 0.356 62.544 62.100 0.147 0.000 1.010 396 T CB 0.503 69.423 68.868 0.087 0.000 1.264 396 T HN 0.925 nan 8.240 nan 0.000 0.532 397 G N 1.477 110.393 108.800 0.194 0.000 2.553 397 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.242 397 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.242 397 G C -0.355 174.665 174.900 0.200 0.000 1.277 397 G CA 0.054 45.254 45.100 0.166 0.000 0.910 397 G HN 1.286 nan 8.290 nan 0.000 0.576 398 S N -1.298 114.486 115.700 0.140 0.000 2.627 398 S HA 0.892 5.362 4.470 -0.001 0.000 0.283 398 S C -0.581 174.042 174.600 0.037 0.000 1.127 398 S CA 0.103 58.302 58.200 -0.002 0.000 0.863 398 S CB 2.331 65.491 63.200 -0.066 0.000 1.121 398 S HN 1.175 nan 8.310 nan 0.000 0.479 399 T N 1.735 116.216 114.554 -0.121 0.000 2.933 399 T HA 0.494 4.843 4.350 -0.001 0.000 0.305 399 T C -1.783 172.646 174.700 -0.452 0.000 1.092 399 T CA -0.727 61.249 62.100 -0.206 0.000 1.008 399 T CB 1.551 70.388 68.868 -0.052 0.000 1.102 399 T HN 0.420 nan 8.240 nan 0.000 0.469 400 D N 1.058 121.130 120.400 -0.546 0.000 2.181 400 D HA 0.629 5.268 4.640 -0.001 0.000 0.248 400 D C -0.944 174.824 176.300 -0.886 0.000 1.020 400 D CA -0.217 53.460 54.000 -0.539 0.000 0.891 400 D CB 0.917 41.523 40.800 -0.323 0.000 1.187 400 D HN 0.282 nan 8.370 nan 0.000 0.443 401 F N 1.221 120.781 119.950 -0.651 0.000 2.493 401 F HA 0.467 4.993 4.527 -0.001 0.000 0.329 401 F C 0.123 175.661 175.800 -0.435 0.000 1.126 401 F CA -0.968 56.656 58.000 -0.627 0.000 0.937 401 F CB 1.468 39.913 39.000 -0.926 0.000 1.146 401 F HN 0.105 nan 8.300 nan 0.000 0.442 402 I N 4.619 125.147 120.570 -0.070 0.000 2.530 402 I HA 0.624 4.793 4.170 -0.001 0.000 0.297 402 I C -1.302 174.816 176.117 0.001 0.000 1.011 402 I CA -0.766 60.524 61.300 -0.017 0.000 1.107 402 I CB 1.465 39.447 38.000 -0.030 0.000 1.285 402 I HN 0.502 nan 8.210 nan 0.000 0.436 403 I N 6.387 126.927 120.570 -0.049 0.000 2.439 403 I HA 0.320 4.490 4.170 -0.001 0.000 0.283 403 I C -1.316 174.726 176.117 -0.124 0.000 1.023 403 I CA -0.632 60.520 61.300 -0.247 0.000 1.100 403 I CB 1.500 39.201 38.000 -0.499 0.000 1.238 403 I HN 0.413 nan 8.210 nan 0.000 0.445 404 D N 5.700 126.025 120.400 -0.125 0.000 2.373 404 D HA 0.293 4.933 4.640 -0.001 0.000 0.227 404 D C -0.562 175.724 176.300 -0.022 0.000 1.091 404 D CA -0.083 53.899 54.000 -0.030 0.000 0.840 404 D CB 1.874 42.660 40.800 -0.022 0.000 1.060 404 D HN 0.306 nan 8.370 nan 0.000 0.502 405 S N 1.043 116.779 115.700 0.059 0.000 2.437 405 S HA 0.630 5.100 4.470 -0.001 0.000 0.305 405 S C 0.074 174.640 174.600 -0.056 0.000 1.109 405 S CA -0.687 57.527 58.200 0.023 0.000 1.099 405 S CB 1.375 64.793 63.200 0.363 0.000 1.004 405 S HN 0.525 nan 8.310 nan 0.000 0.475 406 S N 1.252 116.812 115.700 -0.232 0.000 2.638 406 S HA 0.811 5.281 4.470 -0.001 0.000 0.274 406 S C -1.208 173.348 174.600 -0.073 0.000 1.157 406 S CA -0.872 57.271 58.200 -0.094 0.000 0.826 406 S CB 1.609 64.770 63.200 -0.064 0.000 1.139 406 S HN 0.697 nan 8.310 nan 0.000 0.474 407 V N 1.318 121.239 119.914 0.010 0.000 2.638 407 V HA 0.638 4.758 4.120 -0.001 0.000 0.306 407 V C -1.493 174.580 176.094 -0.034 0.000 1.052 407 V CA -0.688 61.617 62.300 0.008 0.000 0.885 407 V CB 1.766 33.664 31.823 0.124 0.000 0.999 407 V HN 1.002 nan 8.190 nan 0.000 0.424 408 N N 6.430 125.070 118.700 -0.100 0.000 2.521 408 N HA 0.389 5.128 4.740 -0.001 0.000 0.236 408 N C -0.305 175.170 175.510 -0.059 0.000 1.067 408 N CA -0.277 52.742 53.050 -0.052 0.000 0.939 408 N CB 0.177 38.633 38.487 -0.053 0.000 1.201 408 N HN 0.710 nan 8.380 nan 0.000 0.511 409 I N 2.445 123.021 120.570 0.011 0.000 2.598 409 I HA 0.075 4.245 4.170 -0.001 0.000 0.284 409 I C 1.040 177.099 176.117 -0.097 0.000 1.140 409 I CA 0.096 61.404 61.300 0.014 0.000 1.420 409 I CB 0.351 38.447 38.000 0.161 0.000 1.387 409 I HN 0.213 nan 8.210 nan 0.000 0.553 410 R N 9.789 130.179 120.500 -0.184 0.000 2.412 410 R HA 0.402 4.742 4.340 -0.001 0.000 0.304 410 R C -2.781 173.289 176.300 -0.383 0.000 1.066 410 R CA -1.800 54.130 56.100 -0.284 0.000 0.923 410 R CB 1.742 31.946 30.300 -0.160 0.000 1.156 410 R HN 0.280 nan 8.270 nan 0.000 0.513 411 P HA 0.183 nan 4.420 nan 0.000 0.272 411 P C -0.308 176.717 177.300 -0.458 0.000 1.230 411 P CA -0.146 62.520 63.100 -0.723 0.000 0.788 411 P CB 1.260 32.046 31.700 -1.523 0.000 0.949 412 I N 1.707 122.050 120.570 -0.379 0.000 2.406 412 I HA 0.328 4.497 4.170 -0.001 0.000 0.290 412 I C -0.512 175.431 176.117 -0.290 0.000 0.999 412 I CA -0.817 60.346 61.300 -0.229 0.000 1.124 412 I CB 1.174 39.125 38.000 -0.083 0.000 1.289 412 I HN 0.267 nan 8.210 nan 0.000 0.441 413 Y N 4.247 124.594 120.300 0.078 0.000 2.376 413 Y HA 0.493 5.042 4.550 -0.001 0.000 0.340 413 Y C -0.398 175.574 175.900 0.119 0.000 0.965 413 Y CA -0.843 57.386 58.100 0.216 0.000 1.078 413 Y CB 1.691 40.331 38.460 0.300 0.000 1.193 413 Y HN 0.501 nan 8.280 nan 0.000 0.452 414 N N 0.400 119.281 118.700 0.302 0.000 2.242 414 N HA 0.767 5.507 4.740 -0.001 0.000 0.292 414 N C -0.742 174.938 175.510 0.285 0.000 1.125 414 N CA -0.848 52.205 53.050 0.005 0.000 0.783 414 N CB 2.337 40.826 38.487 0.003 0.000 1.558 414 N HN 0.800 nan 8.380 nan 0.000 0.472 415 G N -0.896 107.939 108.800 0.057 0.000 2.658 415 G HA2 0.770 4.730 3.960 -0.001 0.000 0.292 415 G HA3 0.770 4.730 3.960 -0.001 0.000 0.292 415 G C -1.591 173.747 174.900 0.731 0.000 1.320 415 G CA -0.776 44.620 45.100 0.494 0.000 0.933 415 G HN 0.615 nan 8.290 nan 0.000 0.476 416 A N -0.273 122.995 122.820 0.747 0.000 2.318 416 A HA 0.680 4.999 4.320 -0.001 0.000 0.324 416 A C -1.679 176.339 177.584 0.724 0.000 1.170 416 A CA -0.589 51.853 52.037 0.675 0.000 0.810 416 A CB 1.104 20.410 19.000 0.511 0.000 1.198 416 A HN 0.820 nan 8.150 nan 0.000 0.484 417 Y N 2.220 122.736 120.300 0.361 0.000 2.331 417 Y HA 0.429 4.978 4.550 -0.001 0.000 0.338 417 Y C 0.422 176.178 175.900 -0.239 0.000 0.976 417 Y CA -0.324 57.745 58.100 -0.052 0.000 1.137 417 Y CB 1.183 39.409 38.460 -0.389 0.000 1.172 417 Y HN 0.650 nan 8.280 nan 0.000 0.478 418 K N 6.428 126.498 120.400 -0.549 0.000 2.284 418 K HA 0.180 4.499 4.320 -0.001 0.000 0.287 418 K C -1.070 175.172 176.600 -0.597 0.000 1.081 418 K CA -0.355 55.564 56.287 -0.612 0.000 0.910 418 K CB 0.159 32.184 32.500 -0.792 0.000 1.088 418 K HN 0.750 nan 8.250 nan 0.000 0.478 419 H N 3.243 122.157 119.070 -0.260 0.000 2.502 419 H HA 0.061 4.616 4.556 -0.001 0.000 0.327 419 H C -1.100 174.181 175.328 -0.078 0.000 1.099 419 H CA -0.295 55.661 56.048 -0.152 0.000 1.323 419 H CB 0.957 30.509 29.762 -0.349 0.000 1.450 419 H HN 0.528 nan 8.280 nan 0.000 0.502 420 Y N 2.247 122.558 120.300 0.018 0.000 2.334 420 Y HA 0.337 4.886 4.550 -0.001 0.000 0.336 420 Y C -0.031 175.892 175.900 0.038 0.000 0.960 420 Y CA -0.791 57.309 58.100 -0.001 0.000 1.164 420 Y CB -0.199 38.248 38.460 -0.023 0.000 1.155 420 Y HN 0.617 nan 8.280 nan 0.000 0.478 421 Y N 3.808 123.792 120.300 -0.526 0.000 2.524 421 Y HA 0.454 5.004 4.550 -0.001 0.000 0.270 421 Y C 1.588 177.124 175.900 -0.606 0.000 1.094 421 Y CA 0.902 58.755 58.100 -0.411 0.000 1.276 421 Y CB -0.093 38.267 38.460 -0.166 0.000 1.130 421 Y HN 1.167 nan 8.280 nan 0.000 0.536 422 V N -1.273 118.040 119.914 -1.000 0.000 0.479 422 V HA 0.057 4.177 4.120 -0.001 0.000 0.092 422 V C 0.912 176.873 176.094 -0.222 0.000 2.409 422 V CA 0.658 62.599 62.300 -0.599 0.000 3.650 422 V CB -1.650 30.018 31.823 -0.259 0.000 0.931 422 V HN 1.632 nan 8.190 nan 0.000 0.977 423 V N 0.760 120.583 119.914 -0.152 0.000 2.220 423 V HA 0.937 5.057 4.120 -0.001 0.000 0.265 423 V C 1.036 177.106 176.094 -0.040 0.000 1.078 423 V CA 0.348 62.617 62.300 -0.051 0.000 0.872 423 V CB 0.240 32.045 31.823 -0.029 0.000 1.121 423 V HN 2.722 nan 8.190 nan 0.000 0.460 424 G N 2.719 111.510 108.800 -0.015 0.000 2.906 424 G HA2 0.579 4.538 3.960 -0.001 0.000 0.686 424 G HA3 0.579 4.538 3.960 -0.001 0.000 0.686 424 G C -0.612 174.295 174.900 0.011 0.000 1.170 424 G CA -0.160 44.953 45.100 0.022 0.000 0.775 424 G HN 2.518 nan 8.290 nan 0.000 0.630 425 A N 1.876 124.732 122.820 0.059 0.000 2.527 425 A HA 1.144 5.463 4.320 -0.001 0.000 0.293 425 A C -0.437 177.202 177.584 0.092 0.000 1.117 425 A CA 0.343 52.418 52.037 0.064 0.000 0.723 425 A CB 1.875 20.918 19.000 0.071 0.000 1.313 425 A HN 2.698 nan 8.150 nan 0.000 0.411 426 H N -1.477 117.587 119.070 -0.011 0.000 2.948 426 H HA 0.684 5.239 4.556 -0.001 0.000 0.315 426 H C -0.962 174.383 175.328 0.029 0.000 1.360 426 H CA -0.505 55.515 56.048 -0.046 0.000 1.125 426 H CB 0.779 30.512 29.762 -0.048 0.000 1.844 426 H HN 0.746 nan 8.280 nan 0.000 0.529 427 Q N 0.996 120.805 119.800 0.015 0.000 2.348 427 Q HA 0.691 5.031 4.340 -0.001 0.000 0.271 427 Q C -1.274 174.709 176.000 -0.028 0.000 1.067 427 Q CA -1.042 54.742 55.803 -0.032 0.000 0.839 427 Q CB 2.652 31.428 28.738 0.063 0.000 1.354 427 Q HN 0.820 nan 8.270 nan 0.000 0.447 428 S N 0.907 116.583 115.700 -0.040 0.000 2.526 428 S HA 0.609 5.078 4.470 -0.001 0.000 0.293 428 S C -1.256 173.134 174.600 -0.350 0.000 1.092 428 S CA -0.690 57.431 58.200 -0.132 0.000 0.980 428 S CB 0.675 64.059 63.200 0.306 0.000 1.048 428 S HN 0.530 nan 8.310 nan 0.000 0.483 429 Y N 1.460 121.666 120.300 -0.156 0.000 2.361 429 Y HA 0.588 5.137 4.550 -0.001 0.000 0.332 429 Y C 1.015 176.586 175.900 -0.547 0.000 1.101 429 Y CA -0.534 57.458 58.100 -0.179 0.000 1.137 429 Y CB 1.032 39.407 38.460 -0.142 0.000 1.207 429 Y HN 0.688 nan 8.280 nan 0.000 0.463 430 H N 0.157 119.349 119.070 0.204 0.000 2.946 430 H HA 0.618 5.174 4.556 -0.001 0.000 0.365 430 H C -0.489 174.679 175.328 -0.267 0.000 1.197 430 H CA -1.184 54.874 56.048 0.016 0.000 1.131 430 H CB 2.208 32.045 29.762 0.124 0.000 1.849 430 H HN 0.845 nan 8.280 nan 0.000 0.555 431 G N 0.601 109.316 108.800 -0.142 0.000 2.416 431 G HA2 0.507 4.466 3.960 -0.001 0.000 0.329 431 G HA3 0.507 4.466 3.960 -0.001 0.000 0.329 431 G C -1.391 173.334 174.900 -0.292 0.000 1.173 431 G CA -0.396 44.539 45.100 -0.275 0.000 0.929 431 G HN 0.190 nan 8.290 nan 0.000 0.475 432 F N 0.573 120.538 119.950 0.025 0.000 2.411 432 F HA 0.465 4.992 4.527 -0.001 0.000 0.352 432 F C 1.002 176.696 175.800 -0.176 0.000 1.123 432 F CA -1.217 56.725 58.000 -0.098 0.000 1.044 432 F CB 2.386 41.249 39.000 -0.227 0.000 1.135 432 F HN 0.516 nan 8.300 nan 0.000 0.461 433 E N 1.673 121.877 120.200 0.007 0.000 2.290 433 E HA 0.050 4.399 4.350 -0.001 0.000 0.197 433 E C 1.255 177.757 176.600 -0.162 0.000 0.948 433 E CA 0.932 57.290 56.400 -0.070 0.000 0.895 433 E CB 0.006 29.690 29.700 -0.026 0.000 0.865 433 E HN 0.715 nan 8.360 nan 0.000 0.486 434 D N 0.847 121.129 120.400 -0.196 0.000 2.841 434 D HA 0.100 4.740 4.640 -0.001 0.000 0.244 434 D C 0.462 176.427 176.300 -0.560 0.000 1.228 434 D CA 0.637 54.499 54.000 -0.229 0.000 0.872 434 D CB -1.011 39.749 40.800 -0.066 0.000 1.082 434 D HN 0.229 nan 8.370 nan 0.000 0.457 435 T N -3.083 111.080 114.554 -0.653 0.000 2.927 435 T HA 0.603 4.953 4.350 -0.001 0.000 0.281 435 T C -2.697 171.785 174.700 -0.363 0.000 0.998 435 T CA -1.849 59.710 62.100 -0.902 0.000 1.019 435 T CB 1.418 69.814 68.868 -0.787 0.000 1.061 435 T HN -0.028 nan 8.240 nan 0.000 0.518 436 P HA 0.383 nan 4.420 nan 0.000 0.266 436 P C -0.582 176.724 177.300 0.010 0.000 1.195 436 P CA -0.268 62.850 63.100 0.030 0.000 0.768 436 P CB 0.354 32.191 31.700 0.228 0.000 0.838 437 R N 1.718 122.271 120.500 0.087 0.000 2.725 437 R HA 0.668 5.008 4.340 -0.001 0.000 0.277 437 R C -0.450 175.972 176.300 0.203 0.000 0.987 437 R CA -0.875 55.267 56.100 0.071 0.000 0.901 437 R CB 2.602 32.897 30.300 -0.007 0.000 1.207 437 R HN 0.349 nan 8.270 nan 0.000 0.463 438 R N 1.474 122.124 120.500 0.250 0.000 2.514 438 R HA 0.327 4.666 4.340 -0.001 0.000 0.296 438 R C -1.165 175.207 176.300 0.119 0.000 1.012 438 R CA -0.765 55.448 56.100 0.188 0.000 0.897 438 R CB 1.585 32.000 30.300 0.192 0.000 1.184 438 R HN 0.540 nan 8.270 nan 0.000 0.440 439 R N 5.483 126.022 120.500 0.065 0.000 2.254 439 R HA 0.303 4.642 4.340 -0.001 0.000 0.318 439 R C -0.627 175.698 176.300 0.042 0.000 1.031 439 R CA -0.438 55.687 56.100 0.041 0.000 0.905 439 R CB 0.665 30.977 30.300 0.021 0.000 1.050 439 R HN 0.420 nan 8.270 nan 0.000 0.456 440 I N 4.252 124.850 120.570 0.047 0.000 2.339 440 I HA 0.253 4.422 4.170 -0.001 0.000 0.290 440 I C -0.043 176.101 176.117 0.046 0.000 0.994 440 I CA -0.358 60.973 61.300 0.051 0.000 1.191 440 I CB 1.554 39.595 38.000 0.069 0.000 1.343 440 I HN 0.636 nan 8.210 nan 0.000 0.458 441 T N 5.684 120.264 114.554 0.043 0.000 2.885 441 T HA 0.506 4.855 4.350 -0.001 0.000 0.285 441 T C -0.234 174.506 174.700 0.066 0.000 1.019 441 T CA -0.771 61.355 62.100 0.043 0.000 1.010 441 T CB 2.293 71.178 68.868 0.029 0.000 1.022 441 T HN 0.328 nan 8.240 nan 0.000 0.466 442 K N 1.678 122.130 120.400 0.087 0.000 2.545 442 K HA 0.601 4.921 4.320 -0.001 0.000 0.252 442 K C -0.918 175.766 176.600 0.141 0.000 0.948 442 K CA -0.367 55.991 56.287 0.118 0.000 0.827 442 K CB 1.128 33.711 32.500 0.139 0.000 1.128 442 K HN 0.542 nan 8.250 nan 0.000 0.429 443 S N 1.458 117.236 115.700 0.130 0.000 2.681 443 S HA 0.954 5.424 4.470 -0.001 0.000 0.299 443 S C -1.140 173.570 174.600 0.183 0.000 1.113 443 S CA -0.547 57.731 58.200 0.130 0.000 1.013 443 S CB 1.625 64.876 63.200 0.086 0.000 1.076 443 S HN 0.766 nan 8.310 nan 0.000 0.534 444 A N 0.979 123.914 122.820 0.193 0.000 2.594 444 A HA 0.769 5.089 4.320 -0.001 0.000 0.296 444 A C -1.017 176.714 177.584 0.245 0.000 1.061 444 A CA -0.658 51.542 52.037 0.271 0.000 0.689 444 A CB 1.343 20.588 19.000 0.408 0.000 1.280 444 A HN 0.611 nan 8.150 nan 0.000 0.406 445 S N -0.095 115.779 115.700 0.291 0.000 2.588 445 S HA 0.910 5.379 4.470 -0.001 0.000 0.275 445 S C -1.120 173.669 174.600 0.316 0.000 1.130 445 S CA -0.457 57.855 58.200 0.187 0.000 0.855 445 S CB 1.446 64.674 63.200 0.046 0.000 1.116 445 S HN 1.495 nan 8.310 nan 0.000 0.472 446 F N -1.237 118.751 119.950 0.062 0.000 2.613 446 F HA 0.813 5.339 4.527 -0.001 0.000 0.310 446 F C -0.651 175.044 175.800 -0.174 0.000 1.085 446 F CA -0.765 57.092 58.000 -0.239 0.000 0.945 446 F CB 0.938 39.818 39.000 -0.201 0.000 1.298 446 F HN 0.357 nan 8.300 nan 0.000 0.455 447 T N 2.378 116.808 114.554 -0.207 0.000 2.824 447 T HA 0.667 5.017 4.350 -0.001 0.000 0.280 447 T C -0.803 173.859 174.700 -0.063 0.000 0.995 447 T CA -0.601 61.397 62.100 -0.170 0.000 1.009 447 T CB 1.776 70.525 68.868 -0.199 0.000 0.955 447 T HN 0.571 nan 8.240 nan 0.000 0.452 448 V N 2.959 122.820 119.914 -0.088 0.000 2.604 448 V HA 0.402 4.521 4.120 -0.001 0.000 0.305 448 V C -0.717 175.170 176.094 -0.344 0.000 1.043 448 V CA -0.952 61.259 62.300 -0.148 0.000 0.888 448 V CB 2.114 33.824 31.823 -0.188 0.000 0.995 448 V HN 0.827 nan 8.190 nan 0.000 0.429 449 D N 3.152 123.449 120.400 -0.171 0.000 2.329 449 D HA 0.233 4.872 4.640 -0.001 0.000 0.232 449 D C 0.179 176.480 176.300 0.001 0.000 1.088 449 D CA -0.236 53.709 54.000 -0.091 0.000 0.835 449 D CB 1.486 42.327 40.800 0.067 0.000 1.078 449 D HN 0.608 nan 8.370 nan 0.000 0.495 450 W N 0.806 122.168 121.300 0.103 0.000 2.825 450 W HA -0.014 4.645 4.660 -0.001 0.000 0.243 450 W C 1.174 177.782 176.519 0.148 0.000 1.293 450 W CA -0.184 57.112 57.345 -0.081 0.000 1.403 450 W CB 0.400 29.748 29.460 -0.186 0.000 1.134 450 W HN 0.250 nan 8.180 nan 0.000 0.666 451 D N -1.415 119.205 120.400 0.368 0.000 2.349 451 D HA -0.066 4.573 4.640 -0.001 0.000 0.214 451 D C 0.622 177.109 176.300 0.311 0.000 1.063 451 D CA 0.367 54.546 54.000 0.298 0.000 0.847 451 D CB -0.336 40.571 40.800 0.179 0.000 0.933 451 D HN 0.140 nan 8.370 nan 0.000 0.513 452 H N 3.008 122.270 119.070 0.321 0.000 3.001 452 H HA -0.020 4.535 4.556 -0.001 0.000 0.334 452 H C -1.321 174.099 175.328 0.153 0.000 1.034 452 H CA -0.757 55.394 56.048 0.172 0.000 1.420 452 H CB 1.592 31.403 29.762 0.083 0.000 1.405 452 H HN -0.096 nan 8.280 nan 0.000 0.593 453 P HA -0.210 nan 4.420 nan 0.000 0.217 453 P C 1.634 179.047 177.300 0.189 0.000 1.148 453 P CA 0.894 64.018 63.100 0.040 0.000 0.828 453 P CB 0.148 31.781 31.700 -0.112 0.000 0.783 454 V N -1.137 118.994 119.914 0.362 0.000 2.594 454 V HA -0.194 3.926 4.120 -0.001 0.000 0.253 454 V C 1.935 178.044 176.094 0.024 0.000 1.069 454 V CA 1.555 63.910 62.300 0.092 0.000 1.082 454 V CB -1.400 30.325 31.823 -0.165 0.000 0.680 454 V HN -0.133 nan 8.190 nan 0.000 0.469 455 F N 1.067 121.170 119.950 0.256 0.000 2.771 455 F HA 0.008 4.535 4.527 -0.001 0.000 0.299 455 F C 2.440 178.350 175.800 0.183 0.000 1.177 455 F CA 1.239 59.375 58.000 0.227 0.000 1.450 455 F CB -1.091 38.080 39.000 0.286 0.000 1.114 455 F HN 0.399 nan 8.300 nan 0.000 0.587 456 T N -3.989 110.744 114.554 0.298 0.000 3.043 456 T HA 0.249 4.599 4.350 -0.001 0.000 0.263 456 T C 2.084 176.886 174.700 0.171 0.000 1.094 456 T CA 0.813 63.041 62.100 0.213 0.000 1.127 456 T CB -0.244 68.728 68.868 0.172 0.000 0.905 456 T HN 0.389 nan 8.240 nan 0.000 0.490 457 G N 0.688 109.586 108.800 0.164 0.000 2.179 457 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.260 457 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.260 457 G C 0.397 175.357 174.900 0.100 0.000 0.977 457 G CA 0.015 45.189 45.100 0.123 0.000 0.641 457 G HN 1.074 nan 8.290 nan 0.000 0.533 458 G N -0.815 108.055 108.800 0.118 0.000 2.491 458 G HA2 0.664 4.624 3.960 -0.001 0.000 0.327 458 G HA3 0.664 4.624 3.960 -0.001 0.000 0.327 458 G C -0.148 174.837 174.900 0.141 0.000 1.189 458 G CA -0.921 44.257 45.100 0.130 0.000 0.956 458 G HN 0.432 nan 8.290 nan 0.000 0.491 459 R N 0.968 121.579 120.500 0.184 0.000 2.407 459 R HA 0.346 4.686 4.340 -0.001 0.000 0.303 459 R C -2.295 174.166 176.300 0.269 0.000 0.981 459 R CA -1.466 54.751 56.100 0.195 0.000 0.905 459 R CB 1.757 32.158 30.300 0.168 0.000 1.099 459 R HN 0.383 nan 8.270 nan 0.000 0.459 460 P HA 0.021 nan 4.420 nan 0.000 0.268 460 P C -0.603 176.857 177.300 0.266 0.000 1.205 460 P CA -0.065 63.164 63.100 0.214 0.000 0.771 460 P CB 0.987 32.765 31.700 0.130 0.000 0.858 461 V N -0.225 119.844 119.914 0.259 0.000 3.159 461 V HA 0.692 4.811 4.120 -0.001 0.000 0.308 461 V C -0.690 175.537 176.094 0.221 0.000 1.190 461 V CA -1.162 61.252 62.300 0.192 0.000 1.037 461 V CB 1.968 33.868 31.823 0.129 0.000 1.060 461 V HN 0.670 nan 8.190 nan 0.000 0.437 462 N N 1.069 119.841 118.700 0.120 0.000 2.531 462 N HA 0.752 5.491 4.740 -0.001 0.000 0.290 462 N C -1.206 174.278 175.510 -0.044 0.000 1.257 462 N CA -0.998 52.123 53.050 0.119 0.000 0.863 462 N CB 1.694 40.231 38.487 0.082 0.000 1.320 462 N HN 0.824 nan 8.380 nan 0.000 0.538 463 L N 0.216 121.366 121.223 -0.121 0.000 2.342 463 L HA 0.404 4.744 4.340 -0.001 0.000 0.276 463 L C -0.642 176.130 176.870 -0.164 0.000 0.997 463 L CA -0.583 54.097 54.840 -0.266 0.000 0.838 463 L CB 1.415 43.123 42.059 -0.585 0.000 1.224 463 L HN 0.434 nan 8.230 nan 0.000 0.416 464 Q N 4.200 123.927 119.800 -0.120 0.000 2.282 464 Q HA 0.555 4.895 4.340 -0.001 0.000 0.260 464 Q C -0.928 174.982 176.000 -0.150 0.000 0.964 464 Q CA -0.641 55.102 55.803 -0.100 0.000 0.880 464 Q CB 2.749 31.453 28.738 -0.056 0.000 1.286 464 Q HN 0.538 nan 8.270 nan 0.000 0.445 465 L N 2.387 123.478 121.223 -0.219 0.000 2.282 465 L HA 0.285 4.625 4.340 -0.001 0.000 0.287 465 L C 1.136 177.897 176.870 -0.181 0.000 1.075 465 L CA -0.418 54.110 54.840 -0.521 0.000 0.839 465 L CB 0.456 42.041 42.059 -0.790 0.000 1.219 465 L HN 0.874 nan 8.230 nan 0.000 0.434 466 A N 2.443 125.265 122.820 0.002 0.000 1.884 466 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 466 A C 2.217 179.903 177.584 0.170 0.000 1.197 466 A CA 2.291 54.389 52.037 0.100 0.000 0.637 466 A CB -0.343 18.725 19.000 0.113 0.000 0.827 466 A HN 0.690 nan 8.150 nan 0.000 0.450 467 S N -1.930 113.986 115.700 0.361 0.000 2.561 467 S HA 0.091 4.561 4.470 -0.001 0.000 0.225 467 S C 0.417 175.206 174.600 0.315 0.000 0.977 467 S CA 0.147 58.511 58.200 0.273 0.000 0.926 467 S CB -0.235 63.065 63.200 0.167 0.000 0.769 467 S HN 0.473 nan 8.310 nan 0.000 0.533 468 F N 3.038 123.074 119.950 0.144 0.000 2.732 468 F HA 0.404 4.930 4.527 -0.001 0.000 0.312 468 F C 0.562 176.363 175.800 0.001 0.000 1.240 468 F CA -1.272 56.764 58.000 0.061 0.000 1.211 468 F CB -1.002 38.020 39.000 0.037 0.000 1.331 468 F HN -0.001 nan 8.300 nan 0.000 0.537 469 N N 2.517 121.141 118.700 -0.127 0.000 2.721 469 N HA -0.307 4.432 4.740 -0.001 0.000 0.249 469 N C -0.250 175.199 175.510 -0.103 0.000 1.072 469 N CA 1.127 54.080 53.050 -0.162 0.000 0.710 469 N CB -1.522 36.788 38.487 -0.295 0.000 0.993 469 N HN 0.636 nan 8.380 nan 0.000 0.547 470 N N -1.368 117.311 118.700 -0.035 0.000 2.716 470 N HA -0.263 4.476 4.740 -0.001 0.000 0.250 470 N C -0.501 174.991 175.510 -0.031 0.000 1.033 470 N CA 1.191 54.225 53.050 -0.026 0.000 0.727 470 N CB -0.732 37.740 38.487 -0.025 0.000 0.950 470 N HN 0.620 nan 8.380 nan 0.000 0.541 471 R N -0.332 120.161 120.500 -0.013 0.000 2.531 471 R HA 0.343 4.682 4.340 -0.001 0.000 0.273 471 R C 0.092 176.400 176.300 0.012 0.000 1.070 471 R CA -0.204 55.905 56.100 0.015 0.000 1.112 471 R CB 0.939 31.291 30.300 0.087 0.000 1.049 471 R HN 0.150 nan 8.270 nan 0.000 0.508 472 c N 3.189 121.799 118.600 0.017 0.000 2.388 472 c HA 0.369 4.939 4.570 -0.001 0.000 0.362 472 c C 0.795 174.904 174.090 0.030 0.000 1.266 472 c CA -0.604 55.733 56.329 0.013 0.000 2.028 472 c CB -0.086 42.440 42.510 0.027 0.000 2.440 472 c HN 0.649 nan 8.230 nan 0.000 0.547 473 I N 3.543 124.122 120.570 0.013 0.000 2.618 473 I HA 0.133 4.303 4.170 -0.001 0.000 0.284 473 I C 0.340 176.539 176.117 0.136 0.000 1.146 473 I CA 0.821 62.143 61.300 0.037 0.000 1.425 473 I CB 0.255 38.227 38.000 -0.048 0.000 1.383 473 I HN 0.660 nan 8.210 nan 0.000 0.562 474 Q N 5.244 125.102 119.800 0.096 0.000 2.389 474 Q HA 0.599 4.938 4.340 -0.001 0.000 0.277 474 Q C -1.865 174.164 176.000 0.047 0.000 1.082 474 Q CA -0.661 55.180 55.803 0.064 0.000 0.810 474 Q CB 3.078 31.835 28.738 0.032 0.000 1.374 474 Q HN 0.483 nan 8.270 nan 0.000 0.422 475 V N 2.895 122.809 119.914 0.000 0.000 2.555 475 V HA 0.420 4.539 4.120 -0.001 0.000 0.302 475 V C -1.109 174.975 176.094 -0.018 0.000 1.038 475 V CA -0.401 61.899 62.300 0.000 0.000 0.887 475 V CB 1.860 33.675 31.823 -0.013 0.000 0.991 475 V HN 1.001 nan 8.190 nan 0.000 0.434 476 D N 4.948 125.346 120.400 -0.003 0.000 2.506 476 D HA 0.506 5.145 4.640 -0.001 0.000 0.272 476 D C 1.083 177.377 176.300 -0.011 0.000 1.214 476 D CA 0.113 54.109 54.000 -0.007 0.000 1.067 476 D CB 1.292 42.094 40.800 0.003 0.000 1.117 476 D HN 0.571 nan 8.370 nan 0.000 0.578 477 A N -0.587 122.227 122.820 -0.010 0.000 1.940 477 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 477 A C 1.952 179.535 177.584 -0.002 0.000 1.176 477 A CA 1.628 53.659 52.037 -0.010 0.000 0.631 477 A CB -0.876 18.120 19.000 -0.007 0.000 0.814 477 A HN 0.493 nan 8.150 nan 0.000 0.446 478 Q N -1.620 118.182 119.800 0.004 0.000 2.472 478 Q HA 0.273 4.613 4.340 -0.001 0.000 0.208 478 Q C 1.335 177.343 176.000 0.014 0.000 0.958 478 Q CA 0.946 56.755 55.803 0.009 0.000 0.932 478 Q CB -0.143 28.602 28.738 0.011 0.000 1.007 478 Q HN 1.021 nan 8.270 nan 0.000 0.508 479 G N -0.344 108.464 108.800 0.013 0.000 2.176 479 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.232 479 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.232 479 G C -0.067 174.851 174.900 0.030 0.000 0.986 479 G CA -0.329 44.784 45.100 0.023 0.000 0.643 479 G HN 0.093 nan 8.290 nan 0.000 0.522 480 R N 0.009 120.523 120.500 0.023 0.000 2.594 480 R HA 0.547 4.887 4.340 -0.001 0.000 0.272 480 R C 0.673 176.991 176.300 0.029 0.000 1.074 480 R CA -0.144 55.971 56.100 0.025 0.000 1.105 480 R CB 0.390 30.701 30.300 0.019 0.000 1.008 480 R HN 0.367 nan 8.270 nan 0.000 0.472 481 L N 1.298 122.539 121.223 0.029 0.000 2.331 481 L HA 0.515 4.854 4.340 -0.001 0.000 0.275 481 L C 0.675 177.556 176.870 0.018 0.000 1.022 481 L CA -0.475 54.384 54.840 0.031 0.000 0.812 481 L CB 1.936 44.013 42.059 0.030 0.000 1.257 481 L HN 0.807 nan 8.230 nan 0.000 0.435 482 T N -0.945 113.623 114.554 0.024 0.000 2.754 482 T HA 0.807 5.156 4.350 -0.001 0.000 0.296 482 T C -1.041 173.682 174.700 0.040 0.000 1.205 482 T CA -0.841 61.275 62.100 0.027 0.000 1.009 482 T CB 1.993 70.886 68.868 0.041 0.000 1.368 482 T HN 0.650 nan 8.240 nan 0.000 0.509 483 A N 1.453 124.323 122.820 0.084 0.000 2.335 483 A HA 0.808 5.127 4.320 -0.001 0.000 0.304 483 A C -0.697 176.982 177.584 0.158 0.000 1.118 483 A CA -0.803 51.314 52.037 0.134 0.000 0.757 483 A CB 0.571 19.705 19.000 0.223 0.000 1.188 483 A HN 0.744 nan 8.150 nan 0.000 0.460 484 N N 1.146 119.899 118.700 0.089 0.000 2.509 484 N HA 0.373 5.113 4.740 -0.001 0.000 0.280 484 N C -0.602 174.920 175.510 0.020 0.000 1.306 484 N CA -0.803 52.277 53.050 0.050 0.000 0.782 484 N CB 1.408 39.916 38.487 0.035 0.000 1.493 484 N HN 0.788 nan 8.380 nan 0.000 0.498 485 M N 1.164 120.763 119.600 -0.003 0.000 2.260 485 M HA 0.062 4.542 4.480 -0.001 0.000 0.348 485 M C -0.258 176.040 176.300 -0.003 0.000 1.342 485 M CA 0.044 55.334 55.300 -0.016 0.000 1.040 485 M CB 0.096 32.684 32.600 -0.021 0.000 1.810 485 M HN 0.471 nan 8.290 nan 0.000 0.453 486 c N 4.707 123.304 118.600 -0.004 0.000 2.642 486 c HA 0.141 4.710 4.570 -0.001 0.000 0.420 486 c C 0.227 174.320 174.090 0.004 0.000 1.349 486 c CA 0.103 56.434 56.329 0.003 0.000 1.821 486 c CB -0.561 41.951 42.510 0.002 0.000 2.637 486 c HN 0.793 nan 8.230 nan 0.000 0.605 487 D N 0.801 121.206 120.400 0.008 0.000 2.470 487 D HA 0.178 4.818 4.640 -0.001 0.000 0.233 487 D C 0.511 176.816 176.300 0.009 0.000 1.372 487 D CA -0.349 53.655 54.000 0.006 0.000 0.994 487 D CB 1.068 41.869 40.800 0.002 0.000 1.377 487 D HN 0.391 nan 8.370 nan 0.000 0.586 488 S N 1.878 117.586 115.700 0.014 0.000 2.440 488 S HA -0.148 4.322 4.470 -0.001 0.000 0.238 488 S C 1.431 176.037 174.600 0.009 0.000 1.010 488 S CA 0.899 59.110 58.200 0.019 0.000 0.972 488 S CB 0.023 63.238 63.200 0.025 0.000 0.774 488 S HN 0.536 nan 8.310 nan 0.000 0.501 489 Q N 0.378 120.179 119.800 0.003 0.000 2.403 489 Q HA 0.199 4.538 4.340 -0.001 0.000 0.203 489 Q C 0.430 176.421 176.000 -0.014 0.000 0.932 489 Q CA 0.311 56.111 55.803 -0.004 0.000 0.945 489 Q CB -0.091 28.646 28.738 -0.002 0.000 1.045 489 Q HN 0.403 nan 8.270 nan 0.000 0.511 490 Q N 0.667 120.457 119.800 -0.016 0.000 2.431 490 Q HA 0.172 4.511 4.340 -0.001 0.000 0.249 490 Q C 0.585 176.559 176.000 -0.045 0.000 1.025 490 Q CA -0.181 55.604 55.803 -0.029 0.000 0.835 490 Q CB 0.926 29.652 28.738 -0.020 0.000 1.207 490 Q HN 0.139 nan 8.270 nan 0.000 0.490 491 S N 2.357 118.019 115.700 -0.064 0.000 2.442 491 S HA -0.155 4.315 4.470 -0.001 0.000 0.236 491 S C 1.614 176.130 174.600 -0.140 0.000 1.007 491 S CA 0.807 58.953 58.200 -0.092 0.000 0.965 491 S CB -0.242 62.896 63.200 -0.103 0.000 0.773 491 S HN 0.612 nan 8.310 nan 0.000 0.504 492 A N 1.035 123.781 122.820 -0.122 0.000 2.178 492 A HA -0.010 4.309 4.320 -0.001 0.000 0.218 492 A C 2.090 179.565 177.584 -0.181 0.000 1.157 492 A CA 1.058 53.005 52.037 -0.150 0.000 0.689 492 A CB -0.463 18.484 19.000 -0.089 0.000 0.787 492 A HN 0.711 nan 8.150 nan 0.000 0.465 493 Q N -0.525 119.201 119.800 -0.123 0.000 2.282 493 Q HA 0.185 4.524 4.340 -0.001 0.000 0.206 493 Q C -0.256 175.723 176.000 -0.035 0.000 0.878 493 Q CA -0.145 55.635 55.803 -0.038 0.000 0.944 493 Q CB 0.577 29.330 28.738 0.024 0.000 1.100 493 Q HN 0.462 nan 8.270 nan 0.000 0.509 494 S N 0.538 116.131 115.700 -0.178 0.000 2.541 494 S HA 0.550 5.019 4.470 -0.001 0.000 0.283 494 S C -0.744 173.680 174.600 -0.294 0.000 1.196 494 S CA -0.365 57.785 58.200 -0.083 0.000 1.062 494 S CB 0.505 63.683 63.200 -0.037 0.000 1.009 494 S HN 0.069 nan 8.310 nan 0.000 0.502 495 F N 0.988 121.002 119.950 0.107 0.000 2.613 495 F HA 0.615 5.142 4.527 -0.001 0.000 0.314 495 F C -0.531 175.404 175.800 0.225 0.000 1.075 495 F CA -0.973 57.135 58.000 0.180 0.000 0.945 495 F CB 1.097 40.263 39.000 0.277 0.000 1.310 495 F HN 0.265 nan 8.300 nan 0.000 0.467 496 I N 1.885 122.705 120.570 0.416 0.000 2.389 496 I HA 0.196 4.365 4.170 -0.001 0.000 0.288 496 I C -1.171 175.127 176.117 0.301 0.000 0.999 496 I CA -0.666 60.819 61.300 0.309 0.000 1.129 496 I CB 1.099 39.223 38.000 0.208 0.000 1.288 496 I HN 0.384 nan 8.210 nan 0.000 0.444 497 Y N 7.435 127.764 120.300 0.048 0.000 2.627 497 Y HA 0.255 4.804 4.550 -0.001 0.000 0.347 497 Y C 0.293 176.153 175.900 -0.067 0.000 1.099 497 Y CA -1.656 56.310 58.100 -0.223 0.000 1.408 497 Y CB -0.480 37.850 38.460 -0.216 0.000 1.247 497 Y HN 0.708 nan 8.280 nan 0.000 0.506 498 D N 1.620 121.984 120.400 -0.061 0.000 2.398 498 D HA -0.031 4.609 4.640 -0.001 0.000 0.264 498 D C 0.794 176.988 176.300 -0.177 0.000 1.263 498 D CA 0.020 53.977 54.000 -0.072 0.000 1.037 498 D CB 0.655 41.467 40.800 0.019 0.000 1.101 498 D HN 0.427 nan 8.370 nan 0.000 0.551 499 Q N -0.652 119.098 119.800 -0.082 0.000 2.135 499 Q HA -0.030 4.309 4.340 -0.001 0.000 0.204 499 Q C 1.887 177.830 176.000 -0.095 0.000 0.981 499 Q CA 1.403 57.158 55.803 -0.080 0.000 0.856 499 Q CB -0.546 28.179 28.738 -0.022 0.000 0.902 499 Q HN 0.501 nan 8.270 nan 0.000 0.425 500 L N -0.742 120.440 121.223 -0.068 0.000 2.554 500 L HA 0.181 4.521 4.340 -0.001 0.000 0.226 500 L C 0.913 177.743 176.870 -0.068 0.000 1.137 500 L CA 0.451 55.262 54.840 -0.047 0.000 0.863 500 L CB -0.398 41.656 42.059 -0.008 0.000 0.985 500 L HN 0.564 nan 8.230 nan 0.000 0.451 501 G N 0.717 109.412 108.800 -0.175 0.000 2.132 501 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.234 501 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.234 501 G C 0.223 175.201 174.900 0.132 0.000 0.989 501 G CA -0.318 44.666 45.100 -0.193 0.000 0.676 501 G HN 0.337 nan 8.290 nan 0.000 0.522 502 R N -1.133 119.419 120.500 0.088 0.000 2.528 502 R HA 0.551 4.891 4.340 -0.001 0.000 0.271 502 R C -0.755 175.655 176.300 0.183 0.000 1.056 502 R CA -0.612 55.632 56.100 0.239 0.000 1.117 502 R CB 0.707 31.115 30.300 0.180 0.000 1.085 502 R HN 0.148 nan 8.270 nan 0.000 0.530 503 Y N 0.830 121.343 120.300 0.356 0.000 2.593 503 Y HA 0.199 4.748 4.550 -0.001 0.000 0.331 503 Y C -0.249 175.873 175.900 0.371 0.000 0.986 503 Y CA -0.478 57.777 58.100 0.258 0.000 1.262 503 Y CB 1.180 39.545 38.460 -0.157 0.000 1.098 503 Y HN 0.199 nan 8.280 nan 0.000 0.506 504 V N 2.878 123.064 119.914 0.453 0.000 2.498 504 V HA 0.156 4.275 4.120 -0.001 0.000 0.279 504 V C 0.456 176.741 176.094 0.317 0.000 1.048 504 V CA -0.666 61.838 62.300 0.341 0.000 0.967 504 V CB 1.558 33.510 31.823 0.213 0.000 0.988 504 V HN 0.723 nan 8.190 nan 0.000 0.473 505 S N 4.015 119.804 115.700 0.149 0.000 2.516 505 S HA 0.280 4.750 4.470 -0.001 0.000 0.282 505 S C 1.321 175.839 174.600 -0.137 0.000 1.286 505 S CA -0.017 58.062 58.200 -0.201 0.000 1.066 505 S CB 1.046 64.124 63.200 -0.203 0.000 0.884 505 S HN 0.984 nan 8.310 nan 0.000 0.491 506 A N 4.137 126.834 122.820 -0.204 0.000 2.067 506 A HA 0.011 4.330 4.320 -0.001 0.000 0.219 506 A C 2.245 179.735 177.584 -0.156 0.000 1.158 506 A CA 1.477 53.441 52.037 -0.122 0.000 0.661 506 A CB -0.763 18.179 19.000 -0.096 0.000 0.801 506 A HN 1.173 nan 8.150 nan 0.000 0.452 507 S N -1.240 114.349 115.700 -0.185 0.000 2.558 507 S HA 0.084 4.554 4.470 -0.001 0.000 0.217 507 S C 0.468 174.994 174.600 -0.122 0.000 0.975 507 S CA 0.445 58.550 58.200 -0.159 0.000 0.912 507 S CB -0.066 63.039 63.200 -0.157 0.000 0.776 507 S HN 0.424 nan 8.310 nan 0.000 0.526 508 N N 1.180 119.821 118.700 -0.098 0.000 3.151 508 N HA 0.042 4.782 4.740 -0.001 0.000 0.219 508 N C 0.307 175.811 175.510 -0.010 0.000 1.434 508 N CA 0.517 53.538 53.050 -0.049 0.000 0.767 508 N CB 0.918 39.383 38.487 -0.036 0.000 1.564 508 N HN 0.238 nan 8.380 nan 0.000 0.612 509 T N -1.780 112.779 114.554 0.007 0.000 3.118 509 T HA -0.090 4.260 4.350 -0.001 0.000 0.269 509 T C 1.642 176.386 174.700 0.073 0.000 1.166 509 T CA 1.748 63.881 62.100 0.054 0.000 1.073 509 T CB -0.123 68.793 68.868 0.079 0.000 0.884 509 T HN 0.457 nan 8.240 nan 0.000 0.550 510 K N 0.567 121.001 120.400 0.057 0.000 2.400 510 K HA 0.527 4.847 4.320 -0.001 0.000 0.194 510 K C 0.922 177.562 176.600 0.068 0.000 1.033 510 K CA 0.307 56.631 56.287 0.061 0.000 1.021 510 K CB -0.264 32.265 32.500 0.048 0.000 0.808 510 K HN 0.606 nan 8.250 nan 0.000 0.505 511 L N -0.114 121.152 121.223 0.072 0.000 2.331 511 L HA 0.551 4.891 4.340 -0.001 0.000 0.275 511 L C -0.528 176.431 176.870 0.148 0.000 1.022 511 L CA -1.224 53.671 54.840 0.092 0.000 0.812 511 L CB 2.007 44.108 42.059 0.071 0.000 1.257 511 L HN 0.131 nan 8.230 nan 0.000 0.435 512 c N 2.156 120.861 118.600 0.175 0.000 2.898 512 c HA 0.442 5.011 4.570 -0.001 0.000 0.304 512 c C -0.223 174.027 174.090 0.266 0.000 1.237 512 c CA -0.824 55.652 56.329 0.246 0.000 1.529 512 c CB 2.062 44.702 42.510 0.217 0.000 2.021 512 c HN 0.612 nan 8.230 nan 0.000 0.474 513 L N 3.230 124.643 121.223 0.317 0.000 2.433 513 L HA 0.375 4.714 4.340 -0.001 0.000 0.275 513 L C -0.323 176.822 176.870 0.458 0.000 1.128 513 L CA 1.241 56.232 54.840 0.252 0.000 0.875 513 L CB -0.109 41.928 42.059 -0.036 0.000 1.171 513 L HN 0.607 nan 8.230 nan 0.000 0.463 514 D N 2.978 123.585 120.400 0.346 0.000 2.492 514 D HA 0.357 4.997 4.640 -0.001 0.000 0.248 514 D C 0.942 177.415 176.300 0.287 0.000 1.101 514 D CA -0.031 54.144 54.000 0.292 0.000 0.840 514 D CB 2.080 42.965 40.800 0.143 0.000 1.209 514 D HN 0.639 nan 8.370 nan 0.000 0.524 515 G N 2.401 111.330 108.800 0.215 0.000 2.498 515 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.219 515 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.219 515 G C 1.260 176.197 174.900 0.062 0.000 1.119 515 G CA 0.862 46.046 45.100 0.141 0.000 0.766 515 G HN 0.563 nan 8.290 nan 0.000 0.552 516 A N -0.263 122.567 122.820 0.016 0.000 2.067 516 A HA 0.571 4.890 4.320 -0.001 0.000 0.219 516 A C 1.396 178.990 177.584 0.016 0.000 1.158 516 A CA 1.604 53.634 52.037 -0.012 0.000 0.661 516 A CB -0.050 18.919 19.000 -0.053 0.000 0.801 516 A HN 1.264 nan 8.150 nan 0.000 0.452 517 A N -0.841 122.008 122.820 0.047 0.000 2.686 517 A HA 0.536 4.856 4.320 -0.001 0.000 0.299 517 A C 0.004 177.627 177.584 0.065 0.000 1.151 517 A CA -0.503 51.560 52.037 0.043 0.000 0.851 517 A CB -0.187 18.831 19.000 0.030 0.000 1.448 517 A HN 0.184 nan 8.150 nan 0.000 0.404 518 L N 1.418 122.681 121.223 0.065 0.000 2.645 518 L HA 0.037 4.376 4.340 -0.001 0.000 0.235 518 L C 1.668 178.557 176.870 0.033 0.000 1.150 518 L CA 0.706 55.583 54.840 0.062 0.000 0.911 518 L CB -0.135 41.963 42.059 0.065 0.000 1.077 518 L HN 0.864 nan 8.230 nan 0.000 0.438 519 D N -0.238 120.180 120.400 0.031 0.000 2.333 519 D HA 0.071 4.711 4.640 -0.001 0.000 0.208 519 D C 0.674 176.991 176.300 0.028 0.000 0.984 519 D CA 0.418 54.431 54.000 0.021 0.000 0.873 519 D CB 0.657 41.467 40.800 0.017 0.000 0.935 519 D HN 0.194 nan 8.370 nan 0.000 0.521 520 A N 0.228 123.072 122.820 0.040 0.000 2.604 520 A HA 0.498 4.817 4.320 -0.001 0.000 0.295 520 A C -0.801 176.825 177.584 0.070 0.000 1.067 520 A CA -0.813 51.253 52.037 0.049 0.000 0.683 520 A CB 0.901 19.924 19.000 0.039 0.000 1.281 520 A HN 0.103 nan 8.150 nan 0.000 0.407 521 L N 1.286 122.561 121.223 0.086 0.000 2.473 521 L HA 0.301 4.640 4.340 -0.001 0.000 0.268 521 L C 0.188 177.112 176.870 0.091 0.000 1.215 521 L CA -0.403 54.506 54.840 0.115 0.000 0.823 521 L CB 0.350 42.493 42.059 0.141 0.000 1.099 521 L HN 0.659 nan 8.230 nan 0.000 0.483 522 Q N 0.679 120.540 119.800 0.101 0.000 2.399 522 Q HA 0.437 4.776 4.340 -0.001 0.000 0.276 522 Q C -2.428 173.616 176.000 0.074 0.000 1.098 522 Q CA -2.336 53.512 55.803 0.075 0.000 0.827 522 Q CB 1.409 30.187 28.738 0.066 0.000 1.386 522 Q HN 0.248 nan 8.270 nan 0.000 0.443 523 P HA 0.012 nan 4.420 nan 0.000 0.262 523 P C -0.461 176.873 177.300 0.056 0.000 1.199 523 P CA 0.122 63.252 63.100 0.050 0.000 0.763 523 P CB 0.205 31.925 31.700 0.034 0.000 0.790 524 c N 4.467 123.109 118.600 0.069 0.000 2.634 524 c HA 0.191 4.760 4.570 -0.001 0.000 0.417 524 c C 1.116 175.235 174.090 0.049 0.000 1.334 524 c CA 0.361 56.735 56.329 0.074 0.000 1.829 524 c CB -1.536 41.026 42.510 0.088 0.000 2.665 524 c HN 0.746 nan 8.230 nan 0.000 0.614 525 N N 1.084 119.808 118.700 0.040 0.000 3.439 525 N HA 0.238 4.977 4.740 -0.001 0.000 0.313 525 N C -0.356 175.161 175.510 0.011 0.000 1.598 525 N CA -0.675 52.386 53.050 0.019 0.000 0.830 525 N CB 0.450 38.939 38.487 0.003 0.000 1.849 525 N HN 0.423 nan 8.380 nan 0.000 0.598 526 Q N -0.671 119.127 119.800 -0.004 0.000 2.360 526 Q HA 0.267 4.606 4.340 -0.001 0.000 0.202 526 Q C -0.596 175.387 176.000 -0.027 0.000 0.915 526 Q CA 0.018 55.816 55.803 -0.009 0.000 0.943 526 Q CB -0.617 28.116 28.738 -0.009 0.000 1.064 526 Q HN 0.473 nan 8.270 nan 0.000 0.511 527 N N 1.165 119.837 118.700 -0.047 0.000 2.513 527 N HA 0.052 4.791 4.740 -0.001 0.000 0.268 527 N C 1.241 176.691 175.510 -0.100 0.000 1.180 527 N CA 0.047 53.042 53.050 -0.092 0.000 0.948 527 N CB 0.837 39.242 38.487 -0.137 0.000 1.083 527 N HN 0.075 nan 8.380 nan 0.000 0.455 528 L N 0.589 121.755 121.223 -0.095 0.000 2.349 528 L HA -0.157 4.182 4.340 -0.001 0.000 0.220 528 L C 1.984 178.771 176.870 -0.139 0.000 1.130 528 L CA 1.071 55.876 54.840 -0.060 0.000 0.791 528 L CB -0.923 41.186 42.059 0.083 0.000 0.918 528 L HN 0.662 nan 8.230 nan 0.000 0.444 529 T N -3.962 110.457 114.554 -0.225 0.000 3.051 529 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 529 T C 1.517 176.048 174.700 -0.282 0.000 1.127 529 T CA 0.748 62.691 62.100 -0.261 0.000 1.107 529 T CB -0.068 68.637 68.868 -0.273 0.000 0.898 529 T HN 0.444 nan 8.240 nan 0.000 0.517 530 Q N 0.129 119.822 119.800 -0.178 0.000 2.282 530 Q HA 0.240 4.580 4.340 -0.001 0.000 0.206 530 Q C 0.115 176.083 176.000 -0.053 0.000 0.878 530 Q CA -0.139 55.650 55.803 -0.024 0.000 0.944 530 Q CB 0.625 29.407 28.738 0.073 0.000 1.100 530 Q HN 0.496 nan 8.270 nan 0.000 0.509 531 R N 0.024 120.360 120.500 -0.273 0.000 2.393 531 R HA 0.371 4.710 4.340 -0.001 0.000 0.310 531 R C -1.344 174.724 176.300 -0.386 0.000 0.968 531 R CA -0.311 55.700 56.100 -0.149 0.000 0.867 531 R CB 0.983 31.239 30.300 -0.074 0.000 1.124 531 R HN -0.034 nan 8.270 nan 0.000 0.450 532 W N 0.864 122.231 121.300 0.111 0.000 2.781 532 W HA 0.400 5.059 4.660 -0.001 0.000 0.345 532 W C -0.095 176.489 176.519 0.108 0.000 1.085 532 W CA -0.638 56.751 57.345 0.073 0.000 1.198 532 W CB 1.608 31.105 29.460 0.062 0.000 1.423 532 W HN 0.375 nan 8.180 nan 0.000 0.532 533 E N 1.047 121.383 120.200 0.226 0.000 2.263 533 E HA 0.368 4.718 4.350 -0.001 0.000 0.268 533 E C -1.795 174.871 176.600 0.110 0.000 0.884 533 E CA -0.833 55.689 56.400 0.203 0.000 0.766 533 E CB 0.908 30.695 29.700 0.145 0.000 1.196 533 E HN 0.349 nan 8.360 nan 0.000 0.416 534 W N 3.561 124.991 121.300 0.217 0.000 2.238 534 W HA 0.339 4.999 4.660 -0.001 0.000 0.321 534 W C 0.689 177.274 176.519 0.109 0.000 1.293 534 W CA -0.430 56.999 57.345 0.140 0.000 1.204 534 W CB 0.738 30.264 29.460 0.110 0.000 1.167 534 W HN 0.349 nan 8.180 nan 0.000 0.553 535 R N 3.103 123.806 120.500 0.338 0.000 2.210 535 R HA 0.358 4.697 4.340 -0.001 0.000 0.338 535 R C 0.425 176.851 176.300 0.210 0.000 1.062 535 R CA -0.469 55.761 56.100 0.217 0.000 0.902 535 R CB 0.003 30.398 30.300 0.157 0.000 1.050 535 R HN 0.474 nan 8.270 nan 0.000 0.461 536 K N 2.463 122.962 120.400 0.165 0.000 2.550 536 K HA 0.120 4.439 4.320 -0.001 0.000 0.280 536 K C 1.141 177.793 176.600 0.087 0.000 0.987 536 K CA 0.521 56.878 56.287 0.116 0.000 1.048 536 K CB -0.370 32.184 32.500 0.091 0.000 0.879 536 K HN 1.021 nan 8.250 nan 0.000 0.491 537 G N 0.456 109.293 108.800 0.061 0.000 2.162 537 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.260 537 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.260 537 G C 0.504 175.436 174.900 0.052 0.000 0.976 537 G CA 1.563 46.690 45.100 0.044 0.000 0.655 537 G HN 2.227 nan 8.290 nan 0.000 0.533 538 T N -4.081 110.522 114.554 0.081 0.000 2.778 538 T HA 0.632 4.981 4.350 -0.001 0.000 0.293 538 T C -0.458 174.324 174.700 0.138 0.000 1.144 538 T CA 0.076 62.234 62.100 0.097 0.000 1.010 538 T CB 2.023 70.959 68.868 0.113 0.000 1.325 538 T HN -0.151 nan 8.240 nan 0.000 0.515 539 D N 0.518 121.011 120.400 0.155 0.000 2.427 539 D HA 0.189 4.829 4.640 -0.001 0.000 0.224 539 D C -0.344 176.172 176.300 0.359 0.000 1.157 539 D CA 0.004 54.144 54.000 0.233 0.000 0.828 539 D CB 0.531 41.412 40.800 0.135 0.000 0.974 539 D HN 0.574 nan 8.370 nan 0.000 0.498 540 E N 1.121 121.503 120.200 0.303 0.000 2.146 540 E HA 0.272 4.621 4.350 -0.001 0.000 0.282 540 E C -0.581 176.073 176.600 0.090 0.000 0.989 540 E CA -0.727 55.779 56.400 0.177 0.000 0.799 540 E CB 1.951 31.723 29.700 0.120 0.000 1.088 540 E HN -0.050 nan 8.360 nan 0.000 0.397 541 L N 3.885 124.969 121.223 -0.231 0.000 2.264 541 L HA 0.282 4.621 4.340 -0.001 0.000 0.289 541 L C -0.188 176.616 176.870 -0.110 0.000 1.044 541 L CA -0.049 54.429 54.840 -0.603 0.000 0.807 541 L CB 1.099 42.501 42.059 -1.096 0.000 1.192 541 L HN 0.537 nan 8.230 nan 0.000 0.425 542 T N 1.450 116.009 114.554 0.008 0.000 2.925 542 T HA 0.391 4.741 4.350 -0.001 0.000 0.285 542 T C -0.092 174.694 174.700 0.143 0.000 1.021 542 T CA -0.883 61.285 62.100 0.113 0.000 1.042 542 T CB 1.122 70.025 68.868 0.059 0.000 1.037 542 T HN 0.624 nan 8.240 nan 0.000 0.481 543 N N 1.843 120.526 118.700 -0.029 0.000 2.434 543 N HA 0.141 4.880 4.740 -0.001 0.000 0.272 543 N C 1.270 176.624 175.510 -0.260 0.000 1.040 543 N CA -0.360 52.421 53.050 -0.449 0.000 0.956 543 N CB 1.601 39.746 38.487 -0.570 0.000 1.108 543 N HN 0.488 nan 8.380 nan 0.000 0.481 544 V N 4.446 124.195 119.914 -0.276 0.000 2.332 544 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 544 V C 1.836 177.881 176.094 -0.082 0.000 1.055 544 V CA 1.520 63.743 62.300 -0.130 0.000 1.038 544 V CB -1.011 30.752 31.823 -0.100 0.000 0.651 544 V HN 0.717 nan 8.190 nan 0.000 0.450 545 Y N 2.017 122.185 120.300 -0.219 0.000 2.145 545 Y HA -0.244 4.305 4.550 -0.001 0.000 0.286 545 Y C 2.691 178.517 175.900 -0.122 0.000 1.145 545 Y CA 1.972 59.978 58.100 -0.157 0.000 1.148 545 Y CB -0.207 38.153 38.460 -0.167 0.000 0.981 545 Y HN 0.390 nan 8.280 nan 0.000 0.507 546 S N -1.941 113.644 115.700 -0.191 0.000 2.512 546 S HA 0.321 4.791 4.470 -0.001 0.000 0.216 546 S C 1.722 176.230 174.600 -0.153 0.000 1.006 546 S CA 0.372 58.425 58.200 -0.245 0.000 0.915 546 S CB 0.170 63.301 63.200 -0.114 0.000 0.824 546 S HN 0.863 nan 8.310 nan 0.000 0.497 547 G N 1.003 109.735 108.800 -0.113 0.000 2.179 547 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.260 547 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.260 547 G C -0.131 174.754 174.900 -0.024 0.000 0.977 547 G CA 0.413 45.475 45.100 -0.064 0.000 0.641 547 G HN 0.625 nan 8.290 nan 0.000 0.533 548 E N 0.363 120.551 120.200 -0.020 0.000 2.342 548 E HA 0.581 4.931 4.350 -0.001 0.000 0.257 548 E C 0.152 176.802 176.600 0.083 0.000 1.150 548 E CA -0.000 56.418 56.400 0.030 0.000 0.926 548 E CB 0.722 30.435 29.700 0.021 0.000 1.074 548 E HN 0.195 nan 8.360 nan 0.000 0.449 549 S N 0.810 116.585 115.700 0.125 0.000 2.565 549 S HA 0.261 4.731 4.470 -0.001 0.000 0.290 549 S C -0.683 174.040 174.600 0.204 0.000 1.150 549 S CA -0.758 57.529 58.200 0.145 0.000 1.058 549 S CB 0.813 64.077 63.200 0.106 0.000 1.032 549 S HN 0.314 nan 8.310 nan 0.000 0.510 550 L N 3.542 124.868 121.223 0.170 0.000 2.433 550 L HA 0.527 4.866 4.340 -0.001 0.000 0.275 550 L C 0.444 177.383 176.870 0.116 0.000 1.128 550 L CA 0.626 55.544 54.840 0.129 0.000 0.875 550 L CB -0.486 41.505 42.059 -0.113 0.000 1.171 550 L HN 0.708 nan 8.230 nan 0.000 0.463 551 G N 4.285 113.213 108.800 0.213 0.000 2.473 551 G HA2 0.586 4.546 3.960 -0.001 0.000 0.321 551 G HA3 0.586 4.546 3.960 -0.001 0.000 0.321 551 G C -1.436 173.509 174.900 0.076 0.000 1.200 551 G CA -0.470 44.651 45.100 0.036 0.000 0.963 551 G HN 0.862 nan 8.290 nan 0.000 0.483 552 H N -0.301 118.692 119.070 -0.127 0.000 2.717 552 H HA 0.424 4.980 4.556 -0.001 0.000 0.366 552 H C -1.566 173.670 175.328 -0.152 0.000 1.132 552 H CA -0.859 55.116 56.048 -0.122 0.000 1.180 552 H CB 2.244 31.922 29.762 -0.139 0.000 1.678 552 H HN 0.454 nan 8.280 nan 0.000 0.537 553 D N 2.049 122.387 120.400 -0.102 0.000 2.425 553 D HA -0.011 4.628 4.640 -0.001 0.000 0.247 553 D C 0.610 176.876 176.300 -0.058 0.000 1.147 553 D CA -0.152 53.778 54.000 -0.116 0.000 0.879 553 D CB 1.144 41.906 40.800 -0.063 0.000 1.179 553 D HN 0.616 nan 8.370 nan 0.000 0.456 554 K N 2.483 122.860 120.400 -0.039 0.000 2.209 554 K HA -0.175 4.145 4.320 -0.001 0.000 0.204 554 K C 1.704 178.461 176.600 0.262 0.000 1.048 554 K CA 1.229 57.581 56.287 0.109 0.000 0.940 554 K CB 0.233 32.751 32.500 0.030 0.000 0.729 554 K HN 0.526 nan 8.250 nan 0.000 0.451 555 Q N -0.658 119.244 119.800 0.170 0.000 2.394 555 Q HA -0.016 4.324 4.340 -0.001 0.000 0.218 555 Q C 1.928 178.095 176.000 0.278 0.000 0.907 555 Q CA 1.298 57.236 55.803 0.225 0.000 0.919 555 Q CB 0.649 29.455 28.738 0.113 0.000 1.051 555 Q HN 0.382 nan 8.270 nan 0.000 0.538 556 T N -3.855 110.741 114.554 0.069 0.000 3.037 556 T HA 0.258 4.608 4.350 -0.001 0.000 0.252 556 T C 1.537 175.976 174.700 -0.435 0.000 1.073 556 T CA 0.684 62.763 62.100 -0.034 0.000 1.091 556 T CB 0.586 69.431 68.868 -0.038 0.000 0.935 556 T HN 0.377 nan 8.240 nan 0.000 0.488 557 G N 1.318 109.642 108.800 -0.794 0.000 2.184 557 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.264 557 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.264 557 G C -0.117 174.479 174.900 -0.506 0.000 0.975 557 G CA 0.345 44.658 45.100 -1.312 0.000 0.642 557 G HN 0.822 nan 8.290 nan 0.000 0.536 558 E N 0.337 120.376 120.200 -0.269 0.000 2.452 558 E HA 0.352 4.701 4.350 -0.001 0.000 0.261 558 E C 0.774 177.352 176.600 -0.037 0.000 0.987 558 E CA -0.219 56.112 56.400 -0.115 0.000 0.926 558 E CB 0.141 29.811 29.700 -0.051 0.000 0.934 558 E HN 0.421 nan 8.360 nan 0.000 0.452 559 L N 3.056 124.271 121.223 -0.013 0.000 2.379 559 L HA 0.657 4.996 4.340 -0.001 0.000 0.269 559 L C 0.693 177.624 176.870 0.103 0.000 1.084 559 L CA -0.341 54.526 54.840 0.045 0.000 0.802 559 L CB 1.523 43.577 42.059 -0.008 0.000 1.175 559 L HN 0.690 nan 8.230 nan 0.000 0.448 560 G N 1.638 110.556 108.800 0.197 0.000 2.559 560 G HA2 0.521 4.481 3.960 -0.001 0.000 0.291 560 G HA3 0.521 4.481 3.960 -0.001 0.000 0.291 560 G C -1.788 173.200 174.900 0.147 0.000 1.424 560 G CA -0.785 44.395 45.100 0.133 0.000 0.786 560 G HN 0.343 nan 8.290 nan 0.000 0.485 561 L N 0.318 121.463 121.223 -0.130 0.000 2.309 561 L HA 0.675 5.015 4.340 -0.001 0.000 0.282 561 L C -0.996 175.664 176.870 -0.349 0.000 1.036 561 L CA -0.759 54.050 54.840 -0.052 0.000 0.806 561 L CB 1.388 43.430 42.059 -0.027 0.000 1.220 561 L HN 0.537 nan 8.230 nan 0.000 0.429 562 Y N -0.027 120.289 120.300 0.026 0.000 2.588 562 Y HA 0.459 5.008 4.550 -0.001 0.000 0.343 562 Y C 0.543 176.448 175.900 0.007 0.000 1.065 562 Y CA -0.806 57.299 58.100 0.009 0.000 1.038 562 Y CB 1.995 40.454 38.460 -0.003 0.000 1.297 562 Y HN 0.509 nan 8.280 nan 0.000 0.467 563 A N 0.622 123.540 122.820 0.162 0.000 2.081 563 A HA 0.369 4.689 4.320 -0.001 0.000 0.214 563 A C 0.391 178.028 177.584 0.088 0.000 1.158 563 A CA 1.188 53.278 52.037 0.088 0.000 0.724 563 A CB -0.213 18.818 19.000 0.052 0.000 0.826 563 A HN 0.754 nan 8.150 nan 0.000 0.463 564 S N -1.547 114.221 115.700 0.113 0.000 2.595 564 S HA 0.493 4.963 4.470 -0.001 0.000 0.270 564 S C -0.391 174.216 174.600 0.011 0.000 1.145 564 S CA -0.005 58.227 58.200 0.054 0.000 0.825 564 S CB 0.555 63.776 63.200 0.035 0.000 1.107 564 S HN 1.016 nan 8.310 nan 0.000 0.461 565 S N 1.030 116.697 115.700 -0.054 0.000 2.617 565 S HA 0.706 5.175 4.470 -0.001 0.000 0.269 565 S C -0.100 174.438 174.600 -0.102 0.000 1.292 565 S CA -0.278 57.836 58.200 -0.144 0.000 1.010 565 S CB -0.007 63.110 63.200 -0.138 0.000 0.944 565 S HN 1.168 nan 8.310 nan 0.000 0.536 566 N N -0.565 118.051 118.700 -0.140 0.000 3.038 566 N HA 0.399 5.138 4.740 -0.001 0.000 0.307 566 N C -0.289 175.169 175.510 -0.088 0.000 1.441 566 N CA -0.900 52.103 53.050 -0.079 0.000 0.772 566 N CB -0.081 38.379 38.487 -0.046 0.000 1.651 566 N HN 0.392 nan 8.380 nan 0.000 0.593 567 D N -0.568 119.800 120.400 -0.054 0.000 2.182 567 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 567 D C 1.161 177.425 176.300 -0.060 0.000 0.986 567 D CA 1.875 55.846 54.000 -0.047 0.000 0.847 567 D CB -0.272 40.513 40.800 -0.026 0.000 0.942 567 D HN 0.664 nan 8.370 nan 0.000 0.467 568 A N 0.110 122.888 122.820 -0.070 0.000 2.267 568 A HA 0.255 4.575 4.320 -0.001 0.000 0.213 568 A C 0.736 178.234 177.584 -0.142 0.000 1.192 568 A CA -0.013 51.980 52.037 -0.074 0.000 0.851 568 A CB 0.715 19.691 19.000 -0.040 0.000 0.881 568 A HN 0.030 nan 8.150 nan 0.000 0.494 569 V N -0.067 119.712 119.914 -0.225 0.000 2.656 569 V HA 0.564 4.684 4.120 -0.001 0.000 0.307 569 V C -0.197 175.653 176.094 -0.407 0.000 1.051 569 V CA -0.524 61.542 62.300 -0.390 0.000 0.893 569 V CB 1.784 33.216 31.823 -0.652 0.000 0.999 569 V HN 0.235 nan 8.190 nan 0.000 0.426 570 S N 3.548 118.921 115.700 -0.546 0.000 2.501 570 S HA 0.662 5.132 4.470 -0.001 0.000 0.301 570 S C 0.092 174.445 174.600 -0.411 0.000 1.096 570 S CA -0.644 57.281 58.200 -0.458 0.000 1.063 570 S CB 1.267 64.186 63.200 -0.468 0.000 1.042 570 S HN 0.615 nan 8.310 nan 0.000 0.494 571 L N 3.398 124.515 121.223 -0.177 0.000 2.769 571 L HA 0.382 4.721 4.340 -0.001 0.000 0.240 571 L C 0.660 177.558 176.870 0.048 0.000 1.163 571 L CA -0.087 54.720 54.840 -0.055 0.000 0.962 571 L CB -0.026 42.017 42.059 -0.027 0.000 1.258 571 L HN 0.456 nan 8.230 nan 0.000 0.513 572 R N 0.776 121.327 120.500 0.085 0.000 2.220 572 R HA 0.282 4.621 4.340 -0.001 0.000 0.340 572 R C -0.492 175.924 176.300 0.194 0.000 1.076 572 R CA 0.050 56.236 56.100 0.143 0.000 0.920 572 R CB 0.756 31.124 30.300 0.113 0.000 1.062 572 R HN -0.066 nan 8.270 nan 0.000 0.469 573 T N 4.565 119.222 114.554 0.171 0.000 2.786 573 T HA 0.404 4.753 4.350 -0.001 0.000 0.283 573 T C -0.080 174.741 174.700 0.202 0.000 0.992 573 T CA -0.591 61.587 62.100 0.130 0.000 0.954 573 T CB 1.055 69.945 68.868 0.037 0.000 0.934 573 T HN 0.214 nan 8.240 nan 0.000 0.440 574 I N 2.822 123.432 120.570 0.068 0.000 2.412 574 I HA 0.489 4.659 4.170 -0.001 0.000 0.296 574 I C 0.622 176.719 176.117 -0.033 0.000 0.987 574 I CA -0.551 60.749 61.300 -0.001 0.000 1.180 574 I CB 1.512 39.496 38.000 -0.026 0.000 1.340 574 I HN 0.543 nan 8.210 nan 0.000 0.455 575 T N 4.751 119.236 114.554 -0.116 0.000 2.876 575 T HA 0.883 5.233 4.350 -0.001 0.000 0.289 575 T C -0.940 173.654 174.700 -0.176 0.000 1.014 575 T CA -0.362 61.664 62.100 -0.123 0.000 0.986 575 T CB 1.518 70.327 68.868 -0.097 0.000 1.021 575 T HN 0.840 nan 8.240 nan 0.000 0.458 576 A N 3.094 125.834 122.820 -0.134 0.000 2.587 576 A HA 0.730 5.050 4.320 -0.001 0.000 0.293 576 A C -1.783 175.742 177.584 -0.098 0.000 1.087 576 A CA -0.750 51.200 52.037 -0.144 0.000 0.692 576 A CB 0.874 19.844 19.000 -0.050 0.000 1.291 576 A HN 0.782 nan 8.150 nan 0.000 0.407 577 Y N 0.860 121.176 120.300 0.028 0.000 2.425 577 Y HA 0.232 4.782 4.550 -0.001 0.000 0.331 577 Y C 2.130 178.052 175.900 0.037 0.000 1.157 577 Y CA 1.144 59.270 58.100 0.043 0.000 1.372 577 Y CB 0.882 39.361 38.460 0.033 0.000 1.253 577 Y HN 0.785 nan 8.280 nan 0.000 0.536 578 T N -2.654 112.030 114.554 0.216 0.000 3.067 578 T HA 0.063 4.412 4.350 -0.001 0.000 0.257 578 T C 0.109 174.868 174.700 0.098 0.000 1.105 578 T CA 0.033 62.208 62.100 0.125 0.000 1.104 578 T CB 0.001 68.927 68.868 0.096 0.000 0.925 578 T HN 0.396 nan 8.240 nan 0.000 0.498 579 D N 1.538 122.001 120.400 0.106 0.000 2.255 579 D HA 0.508 5.147 4.640 -0.001 0.000 0.249 579 D C -0.027 176.294 176.300 0.036 0.000 1.078 579 D CA -0.202 53.826 54.000 0.048 0.000 0.896 579 D CB 1.743 42.552 40.800 0.015 0.000 1.194 579 D HN 0.365 nan 8.370 nan 0.000 0.429 580 V N 0.489 120.414 119.914 0.017 0.000 2.408 580 V HA 0.517 4.637 4.120 -0.001 0.000 0.267 580 V C -0.104 175.982 176.094 -0.013 0.000 1.047 580 V CA -0.333 61.974 62.300 0.012 0.000 0.937 580 V CB 0.092 31.923 31.823 0.012 0.000 0.999 580 V HN 0.475 nan 8.190 nan 0.000 0.472 581 F N 2.925 122.859 119.950 -0.026 0.000 2.449 581 F HA 0.771 5.298 4.527 -0.001 0.000 0.342 581 F C 0.309 176.093 175.800 -0.028 0.000 1.127 581 F CA -0.863 57.108 58.000 -0.049 0.000 0.975 581 F CB -0.084 38.851 39.000 -0.108 0.000 1.146 581 F HN 1.083 nan 8.300 nan 0.000 0.444 582 N N 1.799 120.487 118.700 -0.021 0.000 2.492 582 N HA 0.608 5.348 4.740 -0.001 0.000 0.262 582 N C 0.396 175.900 175.510 -0.011 0.000 1.202 582 N CA 0.030 53.075 53.050 -0.010 0.000 0.926 582 N CB 1.025 39.509 38.487 -0.005 0.000 1.078 582 N HN 2.173 nan 8.380 nan 0.000 0.454 583 A N 0.688 123.508 122.820 -0.001 0.000 2.540 583 A HA 0.521 4.841 4.320 -0.001 0.000 0.239 583 A C 0.914 178.501 177.584 0.005 0.000 1.061 583 A CA 0.703 52.742 52.037 0.002 0.000 0.758 583 A CB -0.639 18.368 19.000 0.011 0.000 0.991 583 A HN 1.478 nan 8.150 nan 0.000 0.502 584 Q N 1.182 120.984 119.800 0.003 0.000 2.360 584 Q HA 0.549 4.888 4.340 -0.001 0.000 0.254 584 Q C 0.025 176.038 176.000 0.021 0.000 0.975 584 Q CA 0.019 55.827 55.803 0.008 0.000 0.912 584 Q CB 0.062 28.797 28.738 -0.004 0.000 1.212 584 Q HN 1.633 nan 8.270 nan 0.000 0.452 585 E N 0.921 121.142 120.200 0.036 0.000 2.338 585 E HA 0.645 4.994 4.350 -0.001 0.000 0.272 585 E C 0.193 176.828 176.600 0.058 0.000 1.029 585 E CA 0.032 56.464 56.400 0.054 0.000 0.872 585 E CB 0.811 30.554 29.700 0.071 0.000 1.015 585 E HN 1.839 nan 8.360 nan 0.000 0.417 586 S N -0.314 115.410 115.700 0.039 0.000 2.587 586 S HA 0.654 5.123 4.470 -0.001 0.000 0.269 586 S C 0.143 174.617 174.600 -0.210 0.000 1.154 586 S CA -0.181 58.006 58.200 -0.022 0.000 0.824 586 S CB 0.717 63.908 63.200 -0.015 0.000 1.118 586 S HN 1.468 nan 8.310 nan 0.000 0.462 587 S N 0.510 115.874 115.700 -0.560 0.000 2.617 587 S HA 0.668 5.137 4.470 -0.001 0.000 0.259 587 S C -2.618 171.679 174.600 -0.505 0.000 1.301 587 S CA -0.688 56.730 58.200 -1.303 0.000 0.984 587 S CB -0.585 61.691 63.200 -1.539 0.000 0.954 587 S HN 0.597 nan 8.310 nan 0.000 0.572 588 P HA 0.379 nan 4.420 nan 0.000 0.279 588 P C -0.687 176.519 177.300 -0.157 0.000 1.282 588 P CA -0.721 62.274 63.100 -0.174 0.000 0.788 588 P CB 0.244 31.884 31.700 -0.099 0.000 1.139 589 I N 0.814 121.288 120.570 -0.161 0.000 2.379 589 I HA 0.094 4.263 4.170 -0.001 0.000 0.290 589 I C 0.139 176.139 176.117 -0.195 0.000 1.063 589 I CA -0.022 61.142 61.300 -0.226 0.000 1.351 589 I CB -0.280 37.449 38.000 -0.452 0.000 1.410 589 I HN 0.022 nan 8.210 nan 0.000 0.505 590 L N 6.933 128.083 121.223 -0.122 0.000 2.305 590 L HA 0.584 4.924 4.340 -0.001 0.000 0.281 590 L C 1.018 177.798 176.870 -0.150 0.000 1.085 590 L CA -0.018 54.762 54.840 -0.100 0.000 0.813 590 L CB 0.832 42.896 42.059 0.008 0.000 1.157 590 L HN 0.937 nan 8.230 nan 0.000 0.436 591 G N 2.356 111.011 108.800 -0.241 0.000 2.503 591 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.235 591 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.235 591 G C -1.156 173.413 174.900 -0.551 0.000 1.179 591 G CA -0.509 44.368 45.100 -0.371 0.000 0.944 591 G HN 0.437 nan 8.290 nan 0.000 0.580 592 Y N 0.213 120.454 120.300 -0.100 0.000 2.429 592 Y HA 0.625 5.175 4.550 -0.001 0.000 0.342 592 Y C 0.834 176.566 175.900 -0.281 0.000 1.004 592 Y CA -0.199 57.815 58.100 -0.143 0.000 1.075 592 Y CB 2.380 40.801 38.460 -0.066 0.000 1.214 592 Y HN 0.404 nan 8.280 nan 0.000 0.455 593 T N 4.214 118.635 114.554 -0.222 0.000 3.688 593 T HA 0.242 4.592 4.350 -0.001 0.000 0.307 593 T C -0.337 174.290 174.700 -0.121 0.000 1.382 593 T CA -0.191 61.589 62.100 -0.534 0.000 1.136 593 T CB -0.732 67.840 68.868 -0.495 0.000 1.207 593 T HN 0.509 nan 8.240 nan 0.000 0.854 594 Q N 0.692 120.527 119.800 0.058 0.000 2.451 594 Q HA 0.635 4.975 4.340 -0.001 0.000 0.281 594 Q C 0.514 176.682 176.000 0.280 0.000 1.099 594 Q CA -0.867 55.032 55.803 0.160 0.000 0.806 594 Q CB 2.585 31.377 28.738 0.091 0.000 1.419 594 Q HN 0.707 nan 8.270 nan 0.000 0.427 595 G N 0.003 108.927 108.800 0.206 0.000 2.645 595 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.239 595 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.239 595 G C -0.511 174.514 174.900 0.207 0.000 1.331 595 G CA -0.205 45.000 45.100 0.175 0.000 0.890 595 G HN 0.743 nan 8.290 nan 0.000 0.572 596 K N -0.133 120.335 120.400 0.113 0.000 2.118 596 K HA 0.792 5.112 4.320 -0.001 0.000 0.264 596 K C 0.467 177.072 176.600 0.009 0.000 1.000 596 K CA 0.270 56.620 56.287 0.105 0.000 0.929 596 K CB 1.295 33.786 32.500 -0.015 0.000 1.021 596 K HN 1.335 nan 8.250 nan 0.000 0.463 597 M N 3.116 122.662 119.600 -0.090 0.000 2.311 597 M HA 0.311 4.791 4.480 -0.001 0.000 0.325 597 M C -1.256 174.838 176.300 -0.344 0.000 1.061 597 M CA -0.636 54.318 55.300 -0.577 0.000 0.957 597 M CB 1.166 33.026 32.600 -1.233 0.000 1.646 597 M HN 0.944 nan 8.290 nan 0.000 0.434 598 N N 3.836 122.341 118.700 -0.324 0.000 2.321 598 N HA 0.310 5.050 4.740 -0.001 0.000 0.299 598 N C -1.750 173.631 175.510 -0.215 0.000 1.048 598 N CA -0.183 52.744 53.050 -0.205 0.000 0.836 598 N CB 2.263 40.674 38.487 -0.126 0.000 1.269 598 N HN 0.790 nan 8.380 nan 0.000 0.486 599 Q N 2.112 121.837 119.800 -0.125 0.000 2.316 599 Q HA 0.323 4.662 4.340 -0.001 0.000 0.264 599 Q C -1.394 174.634 176.000 0.047 0.000 0.987 599 Q CA -0.472 55.314 55.803 -0.029 0.000 0.852 599 Q CB 1.393 30.156 28.738 0.042 0.000 1.287 599 Q HN 0.549 nan 8.270 nan 0.000 0.448 600 Q N 2.467 122.286 119.800 0.030 0.000 2.359 600 Q HA 0.452 4.792 4.340 -0.001 0.000 0.274 600 Q C -1.206 174.850 176.000 0.094 0.000 1.074 600 Q CA -0.818 54.996 55.803 0.019 0.000 0.810 600 Q CB 2.615 31.343 28.738 -0.017 0.000 1.342 600 Q HN 0.486 nan 8.270 nan 0.000 0.427 601 R N 0.558 121.133 120.500 0.126 0.000 2.490 601 R HA 0.352 4.691 4.340 -0.001 0.000 0.278 601 R C -0.395 175.992 176.300 0.145 0.000 1.069 601 R CA -0.527 55.660 56.100 0.145 0.000 1.080 601 R CB 0.904 31.304 30.300 0.166 0.000 1.030 601 R HN 0.307 nan 8.270 nan 0.000 0.491 602 V N 2.800 122.792 119.914 0.130 0.000 2.521 602 V HA 0.068 4.188 4.120 -0.001 0.000 0.286 602 V C 1.253 177.414 176.094 0.111 0.000 1.034 602 V CA 0.098 62.474 62.300 0.128 0.000 1.045 602 V CB 0.914 32.800 31.823 0.105 0.000 0.974 602 V HN 0.941 nan 8.190 nan 0.000 0.480 603 G N 3.368 112.244 108.800 0.127 0.000 2.683 603 G HA2 0.370 4.330 3.960 -0.001 0.000 0.260 603 G HA3 0.370 4.330 3.960 -0.001 0.000 0.260 603 G C 0.951 175.754 174.900 -0.163 0.000 1.238 603 G CA 0.387 45.480 45.100 -0.011 0.000 0.934 603 G HN 0.931 nan 8.290 nan 0.000 0.534 604 Q N -0.451 119.115 119.800 -0.390 0.000 2.124 604 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 604 Q C 2.103 177.979 176.000 -0.207 0.000 0.977 604 Q CA 2.093 57.719 55.803 -0.295 0.000 0.850 604 Q CB -0.759 27.744 28.738 -0.390 0.000 0.901 604 Q HN 0.846 nan 8.270 nan 0.000 0.429 605 D N -0.510 119.754 120.400 -0.225 0.000 2.392 605 D HA -0.129 4.510 4.640 -0.001 0.000 0.228 605 D C 0.499 176.762 176.300 -0.061 0.000 1.003 605 D CA 0.738 54.669 54.000 -0.115 0.000 0.917 605 D CB -0.732 40.031 40.800 -0.063 0.000 0.890 605 D HN 0.531 nan 8.370 nan 0.000 0.532 606 N N 0.080 118.749 118.700 -0.051 0.000 2.710 606 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 606 N C -1.140 174.352 175.510 -0.031 0.000 1.059 606 N CA 0.605 53.641 53.050 -0.022 0.000 0.720 606 N CB -0.884 37.587 38.487 -0.026 0.000 0.983 606 N HN 0.453 nan 8.380 nan 0.000 0.544 607 R N -0.459 120.020 120.500 -0.036 0.000 2.803 607 R HA 0.629 4.969 4.340 -0.001 0.000 0.276 607 R C -0.740 175.456 176.300 -0.173 0.000 0.978 607 R CA -1.134 54.866 56.100 -0.166 0.000 0.939 607 R CB 1.277 31.381 30.300 -0.327 0.000 1.179 607 R HN 0.134 nan 8.270 nan 0.000 0.472 608 L N 1.982 123.045 121.223 -0.266 0.000 2.287 608 L HA 0.408 4.748 4.340 -0.001 0.000 0.287 608 L C -1.509 175.189 176.870 -0.287 0.000 1.022 608 L CA -0.364 54.397 54.840 -0.133 0.000 0.814 608 L CB 0.695 42.719 42.059 -0.059 0.000 1.217 608 L HN 0.429 nan 8.230 nan 0.000 0.420 609 Y N 4.141 124.473 120.300 0.054 0.000 2.323 609 Y HA 0.694 5.243 4.550 -0.001 0.000 0.331 609 Y C 0.013 175.951 175.900 0.064 0.000 1.092 609 Y CA -0.373 57.759 58.100 0.053 0.000 1.150 609 Y CB 1.754 40.248 38.460 0.057 0.000 1.200 609 Y HN 0.395 nan 8.280 nan 0.000 0.472 610 V N 3.510 123.527 119.914 0.172 0.000 3.049 610 V HA 0.564 4.684 4.120 -0.001 0.000 0.309 610 V C -0.783 175.387 176.094 0.126 0.000 1.148 610 V CA -1.366 61.018 62.300 0.139 0.000 0.990 610 V CB 2.511 34.405 31.823 0.119 0.000 1.039 610 V HN 0.653 nan 8.190 nan 0.000 0.430 611 R N 1.310 121.876 120.500 0.109 0.000 2.483 611 R HA 0.839 5.179 4.340 -0.001 0.000 0.303 611 R C -0.877 175.476 176.300 0.089 0.000 0.987 611 R CA -0.204 55.950 56.100 0.091 0.000 0.881 611 R CB 1.927 32.273 30.300 0.076 0.000 1.177 611 R HN 1.026 nan 8.270 nan 0.000 0.451 612 A N 1.636 124.508 122.820 0.087 0.000 2.602 612 A HA 0.860 5.180 4.320 -0.001 0.000 0.290 612 A C -0.708 176.926 177.584 0.083 0.000 1.114 612 A CA -0.129 51.962 52.037 0.089 0.000 0.683 612 A CB 1.824 20.888 19.000 0.106 0.000 1.281 612 A HN 0.766 nan 8.150 nan 0.000 0.416 613 G N -1.032 107.817 108.800 0.082 0.000 3.517 613 G HA2 0.554 4.514 3.960 -0.001 0.000 0.173 613 G HA3 0.554 4.514 3.960 -0.001 0.000 0.173 613 G C 1.026 175.971 174.900 0.075 0.000 1.340 613 G CA 0.764 45.904 45.100 0.066 0.000 1.228 613 G HN 1.702 nan 8.290 nan 0.000 0.745 614 A N -0.148 122.673 122.820 0.001 0.000 2.168 614 A HA 0.722 5.041 4.320 -0.001 0.000 0.215 614 A C 1.178 178.935 177.584 0.288 0.000 1.152 614 A CA 2.176 54.196 52.037 -0.028 0.000 0.716 614 A CB -0.571 18.186 19.000 -0.406 0.000 0.794 614 A HN 1.758 nan 8.150 nan 0.000 0.465 615 A N -1.296 121.618 122.820 0.156 0.000 2.765 615 A HA 0.709 5.028 4.320 -0.001 0.000 0.305 615 A C -1.198 176.412 177.584 0.044 0.000 1.229 615 A CA -0.554 51.498 52.037 0.026 0.000 0.653 615 A CB 0.267 19.080 19.000 -0.312 0.000 1.375 615 A HN 0.201 nan 8.150 nan 0.000 0.540 616 I N 1.271 121.853 120.570 0.020 0.000 2.337 616 I HA 0.227 4.396 4.170 -0.001 0.000 0.285 616 I C -0.400 175.753 176.117 0.060 0.000 1.041 616 I CA -0.128 61.210 61.300 0.064 0.000 1.199 616 I CB 1.112 39.164 38.000 0.088 0.000 1.370 616 I HN 0.722 nan 8.210 nan 0.000 0.470 617 D N 4.398 124.840 120.400 0.070 0.000 2.117 617 D HA 0.049 4.689 4.640 -0.001 0.000 0.198 617 D C 0.702 177.043 176.300 0.069 0.000 0.982 617 D CA 1.090 55.134 54.000 0.074 0.000 0.828 617 D CB 0.277 41.122 40.800 0.074 0.000 0.967 617 D HN 0.603 nan 8.370 nan 0.000 0.464 618 A N -0.643 122.222 122.820 0.074 0.000 2.612 618 A HA 0.701 5.021 4.320 -0.001 0.000 0.293 618 A C -1.780 175.859 177.584 0.091 0.000 1.075 618 A CA -0.687 51.392 52.037 0.070 0.000 0.680 618 A CB 1.033 20.064 19.000 0.051 0.000 1.279 618 A HN 0.069 nan 8.150 nan 0.000 0.411 619 L N -0.081 121.194 121.223 0.086 0.000 2.409 619 L HA 0.924 5.263 4.340 -0.001 0.000 0.255 619 L C 0.307 177.233 176.870 0.093 0.000 1.027 619 L CA -0.534 54.370 54.840 0.108 0.000 0.834 619 L CB 2.753 44.876 42.059 0.105 0.000 1.426 619 L HN 1.329 nan 8.230 nan 0.000 0.411 620 G N -0.801 108.078 108.800 0.131 0.000 2.368 620 G HA2 0.298 4.257 3.960 -0.001 0.000 0.293 620 G HA3 0.298 4.257 3.960 -0.001 0.000 0.293 620 G C -0.158 174.865 174.900 0.204 0.000 1.467 620 G CA 0.214 45.386 45.100 0.119 0.000 0.804 620 G HN 0.597 nan 8.290 nan 0.000 0.535 621 S N -1.294 114.510 115.700 0.175 0.000 2.558 621 S HA 0.605 5.075 4.470 -0.001 0.000 0.217 621 S C 0.867 175.683 174.600 0.360 0.000 0.975 621 S CA 1.153 59.508 58.200 0.258 0.000 0.912 621 S CB 0.188 63.505 63.200 0.194 0.000 0.776 621 S HN 2.125 nan 8.310 nan 0.000 0.526 622 A N 0.938 123.858 122.820 0.167 0.000 2.612 622 A HA 0.674 4.993 4.320 -0.001 0.000 0.293 622 A C 0.826 178.145 177.584 -0.443 0.000 1.075 622 A CA -0.133 51.750 52.037 -0.257 0.000 0.680 622 A CB 0.344 19.320 19.000 -0.040 0.000 1.279 622 A HN 0.406 nan 8.150 nan 0.000 0.411 623 S N -0.088 115.108 115.700 -0.841 0.000 2.419 623 S HA -0.131 4.339 4.470 -0.001 0.000 0.233 623 S C 0.583 175.089 174.600 -0.156 0.000 1.016 623 S CA 1.950 59.930 58.200 -0.366 0.000 0.974 623 S CB -0.187 62.838 63.200 -0.290 0.000 0.786 623 S HN 0.633 nan 8.310 nan 0.000 0.492 624 D N 0.944 121.247 120.400 -0.162 0.000 2.340 624 D HA 0.228 4.867 4.640 -0.001 0.000 0.220 624 D C 0.541 176.786 176.300 -0.091 0.000 1.039 624 D CA 0.358 54.300 54.000 -0.096 0.000 0.866 624 D CB 0.196 40.944 40.800 -0.087 0.000 0.913 624 D HN 0.429 nan 8.370 nan 0.000 0.523 625 L N 1.127 122.292 121.223 -0.096 0.000 3.154 625 L HA 0.286 4.626 4.340 -0.001 0.000 0.266 625 L C 0.046 176.895 176.870 -0.037 0.000 1.300 625 L CA -0.179 54.614 54.840 -0.079 0.000 1.028 625 L CB 0.542 42.541 42.059 -0.100 0.000 1.412 625 L HN -0.260 nan 8.230 nan 0.000 0.564 626 L N 1.464 122.675 121.223 -0.019 0.000 2.397 626 L HA 0.305 4.644 4.340 -0.001 0.000 0.271 626 L C 0.146 177.012 176.870 -0.007 0.000 1.148 626 L CA -0.422 54.425 54.840 0.011 0.000 0.825 626 L CB 1.302 43.377 42.059 0.027 0.000 1.117 626 L HN 0.018 nan 8.230 nan 0.000 0.456 627 V N 0.090 120.006 119.914 0.003 0.000 2.540 627 V HA 1.059 5.178 4.120 -0.001 0.000 0.302 627 V C 0.029 176.126 176.094 0.006 0.000 1.035 627 V CA 0.280 62.574 62.300 -0.011 0.000 0.873 627 V CB 0.956 32.763 31.823 -0.025 0.000 0.992 627 V HN 1.027 nan 8.190 nan 0.000 0.428 628 G N 3.000 111.796 108.800 -0.007 0.000 2.278 628 G HA2 0.466 4.425 3.960 -0.001 0.000 0.265 628 G HA3 0.466 4.425 3.960 -0.001 0.000 0.265 628 G C 0.060 174.944 174.900 -0.027 0.000 1.329 628 G CA -0.004 45.100 45.100 0.007 0.000 1.017 628 G HN 1.631 nan 8.290 nan 0.000 0.472 629 G N -1.029 107.766 108.800 -0.008 0.000 2.588 629 G HA2 0.443 4.402 3.960 -0.001 0.000 0.278 629 G HA3 0.443 4.402 3.960 -0.001 0.000 0.278 629 G C 0.521 175.397 174.900 -0.039 0.000 1.307 629 G CA 0.319 45.385 45.100 -0.056 0.000 1.016 629 G HN 0.631 nan 8.290 nan 0.000 0.503 630 N N -0.277 118.389 118.700 -0.056 0.000 2.236 630 N HA 0.087 4.826 4.740 -0.001 0.000 0.196 630 N C 1.160 176.677 175.510 0.012 0.000 1.114 630 N CA 0.255 53.287 53.050 -0.030 0.000 0.859 630 N CB 0.881 39.332 38.487 -0.059 0.000 0.982 630 N HN 0.486 nan 8.380 nan 0.000 0.493 631 G N -0.341 108.485 108.800 0.043 0.000 2.535 631 G HA2 0.498 4.458 3.960 -0.001 0.000 0.282 631 G HA3 0.498 4.458 3.960 -0.001 0.000 0.282 631 G C 0.484 175.417 174.900 0.054 0.000 1.350 631 G CA 0.279 45.413 45.100 0.058 0.000 1.039 631 G HN 0.303 nan 8.290 nan 0.000 0.509 632 G N -1.656 107.176 108.800 0.052 0.000 2.860 632 G HA2 0.287 4.247 3.960 -0.001 0.000 0.553 632 G HA3 0.287 4.247 3.960 -0.001 0.000 0.553 632 G C -0.011 174.921 174.900 0.053 0.000 1.439 632 G CA 0.212 45.345 45.100 0.055 0.000 0.879 632 G HN 1.947 nan 8.290 nan 0.000 0.545 633 S N -0.732 115.004 115.700 0.060 0.000 2.503 633 S HA 0.669 5.139 4.470 -0.001 0.000 0.301 633 S C -0.126 174.517 174.600 0.071 0.000 1.087 633 S CA -0.666 57.570 58.200 0.060 0.000 1.042 633 S CB 2.174 65.408 63.200 0.056 0.000 1.043 633 S HN 1.769 nan 8.310 nan 0.000 0.489 634 L N 2.482 123.749 121.223 0.074 0.000 2.525 634 L HA 0.538 4.877 4.340 -0.001 0.000 0.278 634 L C 0.217 177.142 176.870 0.091 0.000 1.218 634 L CA 1.308 56.204 54.840 0.093 0.000 0.878 634 L CB 0.674 42.790 42.059 0.096 0.000 1.127 634 L HN 0.999 nan 8.230 nan 0.000 0.492 635 S N 2.851 118.611 115.700 0.100 0.000 2.625 635 S HA 0.782 5.252 4.470 -0.001 0.000 0.271 635 S C -1.298 173.320 174.600 0.031 0.000 1.161 635 S CA -0.221 58.019 58.200 0.066 0.000 0.820 635 S CB 1.451 64.687 63.200 0.060 0.000 1.137 635 S HN 0.932 nan 8.310 nan 0.000 0.470 636 S N 0.889 116.557 115.700 -0.053 0.000 2.540 636 S HA 0.763 5.232 4.470 -0.001 0.000 0.275 636 S C -1.848 172.624 174.600 -0.212 0.000 1.123 636 S CA -0.415 57.651 58.200 -0.224 0.000 0.907 636 S CB 1.422 64.447 63.200 -0.292 0.000 1.081 636 S HN 0.746 nan 8.310 nan 0.000 0.476 637 V N 3.912 123.648 119.914 -0.295 0.000 2.531 637 V HA 0.435 4.555 4.120 -0.001 0.000 0.301 637 V C -0.457 175.473 176.094 -0.273 0.000 1.034 637 V CA -0.910 61.216 62.300 -0.290 0.000 0.865 637 V CB 1.826 33.346 31.823 -0.504 0.000 0.995 637 V HN 0.936 nan 8.190 nan 0.000 0.424 638 D N 3.471 123.784 120.400 -0.146 0.000 2.351 638 D HA 0.230 4.870 4.640 -0.001 0.000 0.251 638 D C 0.651 176.959 176.300 0.014 0.000 1.137 638 D CA 0.068 54.027 54.000 -0.068 0.000 0.879 638 D CB 1.680 42.448 40.800 -0.053 0.000 1.181 638 D HN 0.468 nan 8.370 nan 0.000 0.448 639 L N 2.293 123.502 121.223 -0.023 0.000 2.585 639 L HA 0.031 4.370 4.340 -0.001 0.000 0.226 639 L C 1.039 177.938 176.870 0.047 0.000 1.113 639 L CA -0.050 54.780 54.840 -0.017 0.000 0.876 639 L CB -0.052 42.002 42.059 -0.010 0.000 1.072 639 L HN 0.293 nan 8.230 nan 0.000 0.468 640 S N -0.134 115.615 115.700 0.082 0.000 2.528 640 S HA 0.479 4.948 4.470 -0.001 0.000 0.277 640 S C 1.149 175.849 174.600 0.167 0.000 1.297 640 S CA 0.128 58.376 58.200 0.080 0.000 1.052 640 S CB 1.371 64.595 63.200 0.039 0.000 0.917 640 S HN 0.450 nan 8.310 nan 0.000 0.492 641 G N 1.399 110.269 108.800 0.117 0.000 2.176 641 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.253 641 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.253 641 G C 0.073 175.037 174.900 0.108 0.000 0.979 641 G CA -0.152 45.042 45.100 0.158 0.000 0.641 641 G HN 1.123 nan 8.290 nan 0.000 0.530 642 V N 0.699 120.585 119.914 -0.048 0.000 2.599 642 V HA 0.446 4.565 4.120 -0.001 0.000 0.300 642 V C 1.585 177.584 176.094 -0.159 0.000 1.034 642 V CA 2.092 64.219 62.300 -0.287 0.000 1.115 642 V CB 0.817 32.505 31.823 -0.226 0.000 0.934 642 V HN 0.807 nan 8.190 nan 0.000 0.485 643 K N 3.116 123.407 120.400 -0.181 0.000 2.350 643 K HA 0.434 4.753 4.320 -0.001 0.000 0.196 643 K C 0.775 177.256 176.600 -0.199 0.000 1.084 643 K CA 0.840 57.041 56.287 -0.142 0.000 0.967 643 K CB 0.573 33.017 32.500 -0.095 0.000 0.950 643 K HN 0.958 nan 8.250 nan 0.000 0.512 644 S N -1.041 114.532 115.700 -0.213 0.000 2.565 644 S HA 0.741 5.210 4.470 -0.001 0.000 0.269 644 S C -1.336 173.114 174.600 -0.250 0.000 1.153 644 S CA -0.706 57.350 58.200 -0.239 0.000 0.835 644 S CB 1.177 64.252 63.200 -0.209 0.000 1.122 644 S HN 0.285 nan 8.310 nan 0.000 0.462 645 I N 1.413 121.834 120.570 -0.248 0.000 2.533 645 I HA 0.489 4.659 4.170 -0.001 0.000 0.290 645 I C -0.789 175.175 176.117 -0.254 0.000 1.056 645 I CA -0.493 60.572 61.300 -0.393 0.000 1.057 645 I CB 2.616 40.292 38.000 -0.540 0.000 1.240 645 I HN 0.678 nan 8.210 nan 0.000 0.423 646 T N 4.706 119.089 114.554 -0.286 0.000 2.812 646 T HA 0.672 5.022 4.350 -0.001 0.000 0.282 646 T C -0.340 174.252 174.700 -0.180 0.000 0.990 646 T CA -0.501 61.489 62.100 -0.183 0.000 0.960 646 T CB 1.685 70.467 68.868 -0.142 0.000 0.948 646 T HN 0.654 nan 8.240 nan 0.000 0.438 647 A N 2.779 125.515 122.820 -0.141 0.000 2.312 647 A HA 0.779 5.099 4.320 -0.001 0.000 0.326 647 A C 0.078 177.593 177.584 -0.114 0.000 1.172 647 A CA -0.643 51.328 52.037 -0.109 0.000 0.821 647 A CB 0.730 19.679 19.000 -0.085 0.000 1.166 647 A HN 0.688 nan 8.150 nan 0.000 0.493 648 T N 1.992 116.510 114.554 -0.060 0.000 2.786 648 T HA 0.622 4.972 4.350 -0.001 0.000 0.283 648 T C -0.251 174.457 174.700 0.012 0.000 0.992 648 T CA -0.237 61.843 62.100 -0.033 0.000 0.954 648 T CB 1.113 69.987 68.868 0.012 0.000 0.934 648 T HN 0.592 nan 8.240 nan 0.000 0.440 649 S N 1.194 116.909 115.700 0.025 0.000 2.599 649 S HA 1.001 5.471 4.470 -0.001 0.000 0.287 649 S C 0.122 174.831 174.600 0.181 0.000 1.105 649 S CA -0.710 57.553 58.200 0.105 0.000 0.899 649 S CB 2.195 65.374 63.200 -0.036 0.000 1.100 649 S HN 1.172 nan 8.310 nan 0.000 0.482 650 G N 0.607 109.558 108.800 0.253 0.000 2.323 650 G HA2 0.298 4.258 3.960 -0.001 0.000 0.291 650 G HA3 0.298 4.258 3.960 -0.001 0.000 0.291 650 G C -2.378 172.645 174.900 0.205 0.000 1.278 650 G CA -0.893 44.337 45.100 0.216 0.000 0.860 650 G HN 0.535 nan 8.290 nan 0.000 0.504 651 D N 0.635 121.128 120.400 0.156 0.000 2.358 651 D HA 0.336 4.975 4.640 -0.001 0.000 0.258 651 D C -0.521 175.899 176.300 0.200 0.000 1.223 651 D CA 0.356 54.439 54.000 0.138 0.000 0.886 651 D CB 1.111 41.957 40.800 0.076 0.000 1.120 651 D HN 0.163 nan 8.370 nan 0.000 0.482 652 F N 2.136 122.105 119.950 0.031 0.000 2.427 652 F HA 0.041 4.568 4.527 -0.001 0.000 0.352 652 F C 1.733 177.511 175.800 -0.036 0.000 1.100 652 F CA -0.427 57.594 58.000 0.035 0.000 1.191 652 F CB 1.180 40.218 39.000 0.063 0.000 1.128 652 F HN 0.308 nan 8.300 nan 0.000 0.533 653 Q N 3.585 123.084 119.800 -0.502 0.000 2.197 653 Q HA -0.232 4.107 4.340 -0.001 0.000 0.207 653 Q C 0.326 175.826 176.000 -0.833 0.000 0.984 653 Q CA 1.876 57.269 55.803 -0.683 0.000 0.869 653 Q CB -0.132 28.099 28.738 -0.845 0.000 0.906 653 Q HN 0.779 nan 8.270 nan 0.000 0.426 654 Y N -0.773 119.112 120.300 -0.692 0.000 2.625 654 Y HA 0.429 4.978 4.550 -0.001 0.000 0.285 654 Y C 0.381 176.239 175.900 -0.070 0.000 1.168 654 Y CA 0.238 58.123 58.100 -0.357 0.000 1.250 654 Y CB 0.988 39.207 38.460 -0.402 0.000 1.130 654 Y HN 0.125 nan 8.280 nan 0.000 0.526 655 G N -0.856 107.997 108.800 0.087 0.000 3.187 655 G HA2 0.435 4.395 3.960 -0.001 0.000 0.682 655 G HA3 0.435 4.395 3.960 -0.001 0.000 0.682 655 G C 0.014 175.022 174.900 0.179 0.000 1.266 655 G CA -0.502 44.673 45.100 0.126 0.000 0.902 655 G HN 0.856 nan 8.290 nan 0.000 0.589 656 G N 0.776 109.625 108.800 0.081 0.000 2.645 656 G HA2 0.213 4.173 3.960 -0.001 0.000 0.246 656 G HA3 0.213 4.173 3.960 -0.001 0.000 0.246 656 G C -0.136 174.794 174.900 0.050 0.000 1.322 656 G CA 0.785 45.906 45.100 0.034 0.000 0.898 656 G HN 1.634 nan 8.290 nan 0.000 0.573 657 Q N 0.560 120.319 119.800 -0.069 0.000 2.256 657 Q HA 0.704 5.044 4.340 -0.001 0.000 0.257 657 Q C 0.214 176.110 176.000 -0.174 0.000 0.936 657 Q CA -0.329 55.414 55.803 -0.100 0.000 0.903 657 Q CB 1.782 30.354 28.738 -0.276 0.000 1.263 657 Q HN 0.583 nan 8.270 nan 0.000 0.440 658 Q N 1.008 120.837 119.800 0.047 0.000 2.462 658 Q HA 0.415 4.754 4.340 -0.001 0.000 0.285 658 Q C -1.392 174.746 176.000 0.229 0.000 1.035 658 Q CA -1.089 54.736 55.803 0.036 0.000 0.799 658 Q CB 2.172 30.714 28.738 -0.327 0.000 1.452 658 Q HN 0.572 nan 8.270 nan 0.000 0.404 659 L N 2.143 123.474 121.223 0.181 0.000 2.283 659 L HA 0.215 4.554 4.340 -0.001 0.000 0.287 659 L C 0.467 177.359 176.870 0.037 0.000 1.073 659 L CA 0.145 55.053 54.840 0.113 0.000 0.822 659 L CB 0.627 42.745 42.059 0.099 0.000 1.186 659 L HN 0.607 nan 8.230 nan 0.000 0.436 660 V N 2.365 122.312 119.914 0.055 0.000 3.471 660 V HA 0.729 4.849 4.120 -0.001 0.000 0.258 660 V C 0.691 176.845 176.094 0.100 0.000 1.192 660 V CA 0.602 62.943 62.300 0.069 0.000 1.116 660 V CB -0.667 31.255 31.823 0.165 0.000 0.792 660 V HN 0.896 nan 8.190 nan 0.000 0.459 661 A N -0.013 122.855 122.820 0.080 0.000 2.604 661 A HA 0.811 5.130 4.320 -0.001 0.000 0.295 661 A C -1.491 176.115 177.584 0.037 0.000 1.067 661 A CA -0.539 51.546 52.037 0.081 0.000 0.683 661 A CB 1.532 20.586 19.000 0.090 0.000 1.281 661 A HN 0.277 nan 8.150 nan 0.000 0.407 662 L N 1.264 122.512 121.223 0.042 0.000 2.409 662 L HA 0.615 4.954 4.340 -0.001 0.000 0.272 662 L C -0.544 176.256 176.870 -0.116 0.000 0.980 662 L CA -0.395 54.391 54.840 -0.090 0.000 0.826 662 L CB 2.605 44.637 42.059 -0.045 0.000 1.268 662 L HN 0.741 nan 8.230 nan 0.000 0.407 663 T N 2.780 117.185 114.554 -0.249 0.000 2.792 663 T HA 0.584 4.933 4.350 -0.001 0.000 0.280 663 T C -0.708 173.807 174.700 -0.309 0.000 0.990 663 T CA -0.286 61.742 62.100 -0.121 0.000 0.960 663 T CB 0.602 69.437 68.868 -0.055 0.000 0.939 663 T HN 0.064 nan 8.240 nan 0.000 0.439 664 F N 1.871 121.783 119.950 -0.064 0.000 2.427 664 F HA 0.467 4.994 4.527 -0.001 0.000 0.346 664 F C 0.984 176.659 175.800 -0.208 0.000 1.120 664 F CA -0.815 57.061 58.000 -0.206 0.000 1.033 664 F CB 1.493 40.315 39.000 -0.296 0.000 1.126 664 F HN 0.323 nan 8.300 nan 0.000 0.462 665 T N 3.296 117.773 114.554 -0.128 0.000 2.779 665 T HA 0.453 4.803 4.350 -0.001 0.000 0.280 665 T C -0.717 173.876 174.700 -0.179 0.000 0.987 665 T CA -0.506 61.561 62.100 -0.056 0.000 0.966 665 T CB 0.412 69.253 68.868 -0.044 0.000 0.933 665 T HN 0.209 nan 8.240 nan 0.000 0.442 666 Y N 0.933 121.246 120.300 0.021 0.000 2.392 666 Y HA 0.440 4.990 4.550 -0.001 0.000 0.323 666 Y C 2.179 178.072 175.900 -0.011 0.000 1.291 666 Y CA -0.657 57.446 58.100 0.004 0.000 1.345 666 Y CB 0.066 38.526 38.460 -0.000 0.000 1.320 666 Y HN 0.687 nan 8.280 nan 0.000 0.518 667 Q N 0.633 120.524 119.800 0.150 0.000 2.152 667 Q HA -0.212 4.128 4.340 -0.001 0.000 0.206 667 Q C 1.094 177.131 176.000 0.062 0.000 0.985 667 Q CA 2.142 57.986 55.803 0.069 0.000 0.863 667 Q CB -1.260 27.509 28.738 0.053 0.000 0.904 667 Q HN 0.816 nan 8.270 nan 0.000 0.422 668 D N -2.970 117.479 120.400 0.082 0.000 2.336 668 D HA 0.331 4.970 4.640 -0.001 0.000 0.229 668 D C 1.233 177.562 176.300 0.047 0.000 1.061 668 D CA 0.960 54.986 54.000 0.044 0.000 0.875 668 D CB -0.069 40.741 40.800 0.017 0.000 0.904 668 D HN 0.808 nan 8.370 nan 0.000 0.525 669 G N -1.133 107.712 108.800 0.075 0.000 2.241 669 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.244 669 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.244 669 G C 0.870 175.825 174.900 0.091 0.000 0.998 669 G CA 0.273 45.412 45.100 0.064 0.000 0.621 669 G HN 0.796 nan 8.290 nan 0.000 0.519 670 R N 0.393 120.956 120.500 0.106 0.000 2.756 670 R HA 0.622 4.962 4.340 -0.001 0.000 0.264 670 R C 0.400 176.847 176.300 0.245 0.000 1.026 670 R CA 1.263 57.423 56.100 0.100 0.000 1.121 670 R CB -0.082 30.200 30.300 -0.030 0.000 0.999 670 R HN 0.785 nan 8.270 nan 0.000 0.449 671 Q N -0.032 119.883 119.800 0.192 0.000 2.389 671 Q HA 0.454 4.793 4.340 -0.001 0.000 0.277 671 Q C -1.271 174.867 176.000 0.230 0.000 1.082 671 Q CA -0.743 55.202 55.803 0.237 0.000 0.810 671 Q CB 2.786 31.603 28.738 0.131 0.000 1.374 671 Q HN 0.749 nan 8.270 nan 0.000 0.422 672 Q N 0.821 120.804 119.800 0.305 0.000 2.315 672 Q HA 0.506 4.846 4.340 -0.001 0.000 0.273 672 Q C -1.574 174.600 176.000 0.289 0.000 1.053 672 Q CA -0.291 55.664 55.803 0.253 0.000 0.817 672 Q CB 2.557 31.447 28.738 0.254 0.000 1.326 672 Q HN 0.610 nan 8.270 nan 0.000 0.423 673 T N 1.870 116.550 114.554 0.210 0.000 2.863 673 T HA 0.584 4.933 4.350 -0.001 0.000 0.285 673 T C -0.879 173.941 174.700 0.200 0.000 1.009 673 T CA -0.571 61.653 62.100 0.207 0.000 0.989 673 T CB 1.382 70.330 68.868 0.134 0.000 1.004 673 T HN 0.444 nan 8.240 nan 0.000 0.455 674 V N -0.027 120.024 119.914 0.228 0.000 2.604 674 V HA 1.031 5.151 4.120 -0.001 0.000 0.305 674 V C 0.440 176.633 176.094 0.166 0.000 1.043 674 V CA 0.139 62.556 62.300 0.196 0.000 0.888 674 V CB 0.535 32.499 31.823 0.236 0.000 0.995 674 V HN 1.349 nan 8.190 nan 0.000 0.429 675 G N 2.602 111.490 108.800 0.147 0.000 2.508 675 G HA2 0.237 4.197 3.960 -0.001 0.000 0.220 675 G HA3 0.237 4.197 3.960 -0.001 0.000 0.220 675 G C -0.183 174.818 174.900 0.168 0.000 1.287 675 G CA 0.201 45.388 45.100 0.146 0.000 0.916 675 G HN 2.168 nan 8.290 nan 0.000 0.574 676 S N -1.524 114.294 115.700 0.197 0.000 2.588 676 S HA 0.699 5.169 4.470 -0.001 0.000 0.269 676 S C 0.008 174.745 174.600 0.229 0.000 1.157 676 S CA 0.314 58.654 58.200 0.233 0.000 0.824 676 S CB 1.601 65.013 63.200 0.354 0.000 1.126 676 S HN 0.878 nan 8.310 nan 0.000 0.464 677 K N 1.215 121.722 120.400 0.178 0.000 2.413 677 K HA 0.342 4.662 4.320 -0.001 0.000 0.204 677 K C 1.156 177.817 176.600 0.101 0.000 1.041 677 K CA 0.368 56.737 56.287 0.136 0.000 1.082 677 K CB 0.639 33.186 32.500 0.080 0.000 0.871 677 K HN 0.501 nan 8.250 nan 0.000 0.535 678 A N 0.389 123.266 122.820 0.094 0.000 2.169 678 A HA -0.019 4.301 4.320 -0.001 0.000 0.212 678 A C 0.530 177.890 177.584 -0.374 0.000 1.153 678 A CA 0.768 52.710 52.037 -0.159 0.000 0.756 678 A CB -0.239 18.588 19.000 -0.288 0.000 0.813 678 A HN 0.276 nan 8.150 nan 0.000 0.471 679 Y N -1.435 118.913 120.300 0.079 0.000 2.713 679 Y HA 0.518 5.068 4.550 -0.001 0.000 0.269 679 Y C 0.040 175.963 175.900 0.040 0.000 1.106 679 Y CA -0.577 57.518 58.100 -0.008 0.000 1.174 679 Y CB 0.396 38.841 38.460 -0.025 0.000 1.186 679 Y HN 0.010 nan 8.280 nan 0.000 0.555 680 V N 0.828 120.846 119.914 0.173 0.000 2.876 680 V HA 0.805 4.925 4.120 -0.001 0.000 0.312 680 V C -0.472 175.672 176.094 0.083 0.000 1.085 680 V CA -0.359 62.047 62.300 0.176 0.000 0.945 680 V CB 2.345 34.304 31.823 0.226 0.000 1.017 680 V HN 0.346 nan 8.190 nan 0.000 0.428 681 T N 1.386 115.984 114.554 0.074 0.000 2.901 681 T HA 0.503 4.853 4.350 -0.001 0.000 0.293 681 T C -0.186 174.550 174.700 0.060 0.000 1.084 681 T CA -0.446 61.680 62.100 0.043 0.000 1.008 681 T CB 1.549 70.425 68.868 0.013 0.000 1.170 681 T HN 0.893 nan 8.240 nan 0.000 0.509 682 N N -0.247 118.481 118.700 0.047 0.000 2.727 682 N HA -0.149 4.591 4.740 -0.001 0.000 0.249 682 N C 0.293 175.852 175.510 0.082 0.000 1.048 682 N CA 0.823 53.906 53.050 0.054 0.000 0.714 682 N CB -1.725 36.791 38.487 0.047 0.000 0.959 682 N HN 1.193 nan 8.380 nan 0.000 0.544 683 A N 0.119 122.990 122.820 0.085 0.000 2.406 683 A HA 0.371 4.691 4.320 -0.001 0.000 0.243 683 A C 0.345 178.015 177.584 0.144 0.000 1.082 683 A CA 0.308 52.409 52.037 0.108 0.000 0.786 683 A CB 0.396 19.444 19.000 0.079 0.000 1.029 683 A HN 0.539 nan 8.150 nan 0.000 0.495 684 H N -0.174 118.908 119.070 0.019 0.000 2.771 684 H HA 0.529 5.085 4.556 -0.001 0.000 0.361 684 H C -1.210 174.106 175.328 -0.021 0.000 1.108 684 H CA -0.563 55.482 56.048 -0.005 0.000 1.201 684 H CB 1.238 30.990 29.762 -0.016 0.000 1.681 684 H HN 0.637 nan 8.280 nan 0.000 0.534 685 E N 4.076 123.967 120.200 -0.516 0.000 2.165 685 E HA 0.214 4.564 4.350 -0.001 0.000 0.266 685 E C -1.026 175.246 176.600 -0.547 0.000 0.889 685 E CA -1.021 55.124 56.400 -0.424 0.000 0.756 685 E CB 1.594 31.179 29.700 -0.191 0.000 1.131 685 E HN 0.536 nan 8.360 nan 0.000 0.411 686 D N 2.124 122.270 120.400 -0.422 0.000 2.329 686 D HA 0.284 4.924 4.640 -0.001 0.000 0.232 686 D C 0.218 176.438 176.300 -0.133 0.000 1.088 686 D CA -0.219 53.627 54.000 -0.257 0.000 0.835 686 D CB 1.125 41.815 40.800 -0.183 0.000 1.078 686 D HN 0.402 nan 8.370 nan 0.000 0.495 687 R N 1.712 122.165 120.500 -0.078 0.000 2.387 687 R HA 0.525 4.864 4.340 -0.001 0.000 0.314 687 R C -1.284 175.041 176.300 0.043 0.000 0.958 687 R CA -0.804 55.268 56.100 -0.046 0.000 0.846 687 R CB 0.838 31.094 30.300 -0.073 0.000 1.147 687 R HN 0.440 nan 8.270 nan 0.000 0.447 688 F N 2.853 122.730 119.950 -0.121 0.000 2.449 688 F HA 0.460 4.987 4.527 -0.001 0.000 0.342 688 F C -1.021 174.713 175.800 -0.109 0.000 1.127 688 F CA -1.614 56.329 58.000 -0.096 0.000 0.975 688 F CB 2.093 41.044 39.000 -0.082 0.000 1.146 688 F HN 0.604 nan 8.300 nan 0.000 0.444 689 D N 6.956 126.860 120.400 -0.826 0.000 2.274 689 D HA 0.239 4.878 4.640 -0.001 0.000 0.239 689 D C -0.441 175.219 176.300 -1.066 0.000 1.104 689 D CA -0.206 53.365 54.000 -0.715 0.000 0.840 689 D CB 1.946 42.519 40.800 -0.377 0.000 1.100 689 D HN 0.361 nan 8.370 nan 0.000 0.477 690 L N 4.338 125.107 121.223 -0.756 0.000 2.416 690 L HA 0.201 4.540 4.340 -0.001 0.000 0.272 690 L C -1.838 174.875 176.870 -0.263 0.000 1.161 690 L CA -0.946 53.606 54.840 -0.480 0.000 0.845 690 L CB -0.353 41.592 42.059 -0.190 0.000 1.119 690 L HN 0.146 nan 8.230 nan 0.000 0.464 691 P HA 0.150 nan 4.420 nan 0.000 0.270 691 P C -0.504 176.763 177.300 -0.056 0.000 1.223 691 P CA -0.174 62.881 63.100 -0.075 0.000 0.785 691 P CB 0.211 31.907 31.700 -0.008 0.000 0.923 692 D N 1.178 121.551 120.400 -0.045 0.000 2.525 692 D HA 0.297 4.936 4.640 -0.001 0.000 0.235 692 D C 1.199 177.489 176.300 -0.017 0.000 1.137 692 D CA 0.482 54.462 54.000 -0.033 0.000 0.868 692 D CB -0.403 40.382 40.800 -0.026 0.000 1.180 692 D HN 0.653 nan 8.370 nan 0.000 0.465 693 A N -0.117 122.694 122.820 -0.014 0.000 3.420 693 A HA 0.087 4.406 4.320 -0.001 0.000 0.269 693 A C 1.520 179.107 177.584 0.006 0.000 1.122 693 A CA 1.917 53.952 52.037 -0.003 0.000 1.023 693 A CB -2.129 16.871 19.000 -0.001 0.000 1.099 693 A HN 2.543 nan 8.150 nan 0.000 0.860 694 A N -0.938 121.887 122.820 0.008 0.000 2.498 694 A HA 0.624 4.943 4.320 -0.001 0.000 0.239 694 A C 0.402 178.007 177.584 0.035 0.000 1.068 694 A CA 1.395 53.450 52.037 0.030 0.000 0.766 694 A CB 0.119 19.147 19.000 0.047 0.000 1.003 694 A HN 2.170 nan 8.150 nan 0.000 0.497 695 K N 1.999 122.429 120.400 0.050 0.000 2.375 695 K HA 0.679 4.999 4.320 -0.001 0.000 0.249 695 K C -0.687 175.963 176.600 0.082 0.000 0.942 695 K CA -0.593 55.726 56.287 0.053 0.000 0.806 695 K CB 1.117 33.641 32.500 0.039 0.000 1.227 695 K HN 0.694 nan 8.250 nan 0.000 0.430 696 I N 2.953 123.580 120.570 0.095 0.000 2.396 696 I HA 0.170 4.340 4.170 -0.001 0.000 0.289 696 I C 1.350 177.543 176.117 0.127 0.000 1.056 696 I CA -0.037 61.352 61.300 0.148 0.000 1.365 696 I CB 1.629 39.745 38.000 0.192 0.000 1.407 696 I HN 0.976 nan 8.210 nan 0.000 0.509 697 T N 1.422 116.051 114.554 0.125 0.000 2.964 697 T HA 0.252 4.602 4.350 -0.001 0.000 0.249 697 T C 0.622 175.385 174.700 0.105 0.000 1.000 697 T CA -0.072 62.087 62.100 0.099 0.000 0.992 697 T CB 0.465 69.377 68.868 0.075 0.000 1.087 697 T HN 0.545 nan 8.240 nan 0.000 0.489 698 Q N 0.165 120.031 119.800 0.111 0.000 2.456 698 Q HA 0.721 5.060 4.340 -0.001 0.000 0.283 698 Q C -1.776 174.267 176.000 0.072 0.000 1.084 698 Q CA -0.903 54.954 55.803 0.090 0.000 0.801 698 Q CB 2.940 31.715 28.738 0.061 0.000 1.434 698 Q HN 0.275 nan 8.270 nan 0.000 0.419 699 L N 1.026 122.261 121.223 0.020 0.000 2.386 699 L HA 0.599 4.938 4.340 -0.001 0.000 0.271 699 L C -0.871 175.929 176.870 -0.117 0.000 0.993 699 L CA -0.801 53.991 54.840 -0.081 0.000 0.819 699 L CB 2.005 44.031 42.059 -0.055 0.000 1.294 699 L HN 0.345 nan 8.230 nan 0.000 0.414 700 K N 4.189 124.482 120.400 -0.180 0.000 2.483 700 K HA 0.632 4.951 4.320 -0.001 0.000 0.256 700 K C -1.211 175.234 176.600 -0.257 0.000 0.961 700 K CA -0.312 55.818 56.287 -0.262 0.000 0.873 700 K CB 2.015 34.385 32.500 -0.216 0.000 1.107 700 K HN 0.441 nan 8.250 nan 0.000 0.432 701 I N 2.489 122.873 120.570 -0.310 0.000 2.362 701 I HA 0.330 4.499 4.170 -0.001 0.000 0.289 701 I C -0.374 175.638 176.117 -0.175 0.000 0.994 701 I CA -0.770 60.454 61.300 -0.125 0.000 1.158 701 I CB 1.056 39.014 38.000 -0.070 0.000 1.315 701 I HN 0.386 nan 8.210 nan 0.000 0.451 702 W N 5.946 127.243 121.300 -0.004 0.000 2.361 702 W HA 0.728 5.388 4.660 -0.001 0.000 0.309 702 W C -0.013 176.529 176.519 0.038 0.000 1.122 702 W CA -0.515 56.848 57.345 0.030 0.000 1.208 702 W CB 1.890 31.374 29.460 0.039 0.000 1.246 702 W HN 0.500 nan 8.180 nan 0.000 0.490 703 A N 3.150 126.085 122.820 0.192 0.000 2.610 703 A HA 0.600 4.919 4.320 -0.001 0.000 0.291 703 A C -1.072 176.577 177.584 0.107 0.000 1.086 703 A CA -0.673 51.446 52.037 0.137 0.000 0.677 703 A CB 1.875 20.924 19.000 0.081 0.000 1.278 703 A HN 0.532 nan 8.150 nan 0.000 0.414 704 D N -0.944 119.519 120.400 0.104 0.000 2.668 704 D HA 0.395 5.034 4.640 -0.001 0.000 0.249 704 D C -0.172 176.153 176.300 0.041 0.000 1.150 704 D CA -0.244 53.810 54.000 0.090 0.000 1.090 704 D CB 0.041 40.927 40.800 0.144 0.000 1.244 704 D HN 0.219 nan 8.370 nan 0.000 0.636 705 D N -1.360 119.044 120.400 0.006 0.000 2.309 705 D HA -0.040 4.600 4.640 -0.001 0.000 0.212 705 D C 0.902 176.938 176.300 -0.441 0.000 0.968 705 D CA 0.960 54.809 54.000 -0.251 0.000 0.882 705 D CB -0.023 40.543 40.800 -0.391 0.000 0.918 705 D HN 0.470 nan 8.370 nan 0.000 0.503 706 W N 0.080 121.383 121.300 0.005 0.000 2.952 706 W HA 0.341 5.001 4.660 -0.001 0.000 0.251 706 W C 0.696 177.217 176.519 0.003 0.000 1.144 706 W CA -0.165 57.183 57.345 0.006 0.000 1.551 706 W CB 0.437 29.903 29.460 0.010 0.000 0.978 706 W HN -0.265 nan 8.180 nan 0.000 0.648 707 L N -0.141 121.220 121.223 0.230 0.000 2.376 707 L HA 0.502 4.842 4.340 -0.001 0.000 0.258 707 L C -0.433 176.500 176.870 0.106 0.000 1.013 707 L CA -1.378 53.538 54.840 0.128 0.000 0.822 707 L CB 2.048 44.148 42.059 0.068 0.000 1.388 707 L HN -0.513 nan 8.230 nan 0.000 0.413 708 V N 1.830 121.798 119.914 0.092 0.000 2.555 708 V HA 0.131 4.251 4.120 -0.001 0.000 0.286 708 V C 0.788 176.960 176.094 0.130 0.000 1.044 708 V CA -0.088 62.280 62.300 0.113 0.000 1.026 708 V CB 1.143 33.029 31.823 0.106 0.000 0.981 708 V HN 0.700 nan 8.190 nan 0.000 0.480 709 K N 2.838 123.348 120.400 0.184 0.000 2.313 709 K HA 0.319 4.639 4.320 -0.001 0.000 0.197 709 K C 0.634 177.363 176.600 0.217 0.000 1.061 709 K CA 0.787 57.200 56.287 0.209 0.000 0.980 709 K CB 1.058 33.685 32.500 0.213 0.000 0.888 709 K HN 0.824 nan 8.250 nan 0.000 0.502 710 G N 0.204 109.139 108.800 0.225 0.000 2.646 710 G HA2 0.466 4.425 3.960 -0.001 0.000 0.291 710 G HA3 0.466 4.425 3.960 -0.001 0.000 0.291 710 G C -1.890 173.169 174.900 0.266 0.000 1.445 710 G CA -0.392 44.783 45.100 0.125 0.000 0.814 710 G HN -0.066 nan 8.290 nan 0.000 0.495 711 V N -0.472 119.523 119.914 0.134 0.000 3.087 711 V HA 0.882 5.001 4.120 -0.001 0.000 0.306 711 V C -1.383 174.694 176.094 -0.028 0.000 1.187 711 V CA -0.660 61.692 62.300 0.086 0.000 0.999 711 V CB 2.149 33.893 31.823 -0.132 0.000 1.049 711 V HN 1.094 nan 8.190 nan 0.000 0.431 712 Q N 3.322 123.065 119.800 -0.094 0.000 2.331 712 Q HA 0.600 4.940 4.340 -0.001 0.000 0.272 712 Q C -2.271 173.538 176.000 -0.317 0.000 1.062 712 Q CA -0.576 55.173 55.803 -0.089 0.000 0.806 712 Q CB 2.162 30.995 28.738 0.158 0.000 1.312 712 Q HN 0.685 nan 8.270 nan 0.000 0.431 713 F N 2.300 122.234 119.950 -0.027 0.000 2.426 713 F HA 0.371 4.898 4.527 -0.001 0.000 0.348 713 F C -0.033 175.753 175.800 -0.023 0.000 1.124 713 F CA -0.786 57.216 58.000 0.004 0.000 1.008 713 F CB 1.268 40.291 39.000 0.038 0.000 1.139 713 F HN 0.372 nan 8.300 nan 0.000 0.452 714 D N 3.759 124.247 120.400 0.146 0.000 2.264 714 D HA 0.457 5.097 4.640 -0.001 0.000 0.249 714 D C -0.193 176.185 176.300 0.130 0.000 1.070 714 D CA -0.078 53.981 54.000 0.098 0.000 0.912 714 D CB 1.766 42.600 40.800 0.056 0.000 1.193 714 D HN 0.353 nan 8.370 nan 0.000 0.427 715 L N 2.242 123.531 121.223 0.110 0.000 2.334 715 L HA 0.326 4.666 4.340 -0.001 0.000 0.276 715 L C 0.502 177.418 176.870 0.078 0.000 1.014 715 L CA -0.960 53.949 54.840 0.114 0.000 0.815 715 L CB 1.042 43.186 42.059 0.142 0.000 1.268 715 L HN 0.348 nan 8.230 nan 0.000 0.428 716 N N 0.000 118.742 118.700 0.070 0.000 1.763 716 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 716 N CA 0.000 53.080 53.050 0.049 0.000 0.885 716 N CB 0.000 38.512 38.487 0.042 0.000 1.341 716 N HN 0.000 nan 8.380 nan 0.000 0.667