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 3f7f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MACLSRIDAN LLQYYEKPEP NNTVDLYVSX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGSEYSNCL LLSNSEYICY HFSSRSTLLT FYPLSDAYHG KTINIHLPNA DATA SEQUENCE SMNQRYTLTI QEVEQQLLVN VILKDGSFLT LQLPLSFLFS SANTLNGEWF DATA SEQUENCE HLQNPYDFTV RVPHFLFYVS PQFSVVFLED GGLLGLKKVD GVHYEPLLFN DATA SEQUENCE DNSYLKCLTR FFSRSSKSDY DSVISCKLFH ERYLIVLTQN CHLKIWDLTS DATA SEQUENCE FTLIQDYDMV SQSDSDPSHF RKVEAVGEYL SLYNNTLVTL LPLENGLFQM DATA SEQUENCE GTLLVXXXXX LTYTFQNNIP TNLSASAIWS IVDLVLTRPL ELNVEASYLN DATA SEQUENCE LIVLWKSGTA SKLQILNVND ESFKNYEWIE SVNKSLVDLQ SEHDLDIVTK DATA SEQUENCE TGDVERGFCN LKSRYGTQIF ERAQQILSEN KIIMAHNEDE EYLANLETIL DATA SEQUENCE RDVKTAFNEA SSITLYGDEI ILVNCFQPYN HSLYKLNTTV ENWFYNMHSE DATA SEQUENCE TDGSELFKYL RTLNGFASTL SNDVLRSISK KFLDIITGEL PDSMTTVEKF DATA SEQUENCE TDIFKNCLEN QFEITNLKIL FDELNSFDIP VVLNDLINNQ MKPGIFWKKD DATA SEQUENCE FISAIKFDGF TSIISLESLH QLLSIHYRIT LQVLLTFVLF DLDTEIFGQH DATA SEQUENCE ISTLLDLHYK QFLLLNLYRQ DKCLLAEVLL KDSSEFSFGV KFFNYGQLIA DATA SEQUENCE YIDSLNSNVY NASITENSFF MTFFRSYII VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 A N 0.099 122.925 122.820 0.010 0.000 2.260 2 A HA 0.548 4.869 4.320 0.001 0.000 0.312 2 A C 0.627 178.193 177.584 -0.030 0.000 1.321 2 A CA -0.368 51.659 52.037 -0.016 0.000 0.928 2 A CB 0.102 19.083 19.000 -0.031 0.000 1.158 2 A HN 0.714 nan 8.150 nan 0.000 0.542 3 C N 2.315 121.586 119.300 -0.047 0.000 2.912 3 C HA 0.371 4.832 4.460 0.001 0.000 0.274 3 C C 0.426 175.352 174.990 -0.107 0.000 1.248 3 C CA 0.092 59.069 59.018 -0.068 0.000 1.694 3 C CB -1.531 26.168 27.740 -0.069 0.000 2.024 3 C HN 0.717 nan 8.230 nan 0.000 0.605 4 L N 0.789 121.950 121.223 -0.105 0.000 2.333 4 L HA 0.579 4.920 4.340 0.001 0.000 0.269 4 L C 0.279 177.058 176.870 -0.152 0.000 1.010 4 L CA 0.301 55.077 54.840 -0.107 0.000 0.818 4 L CB 1.631 43.676 42.059 -0.024 0.000 1.306 4 L HN 0.100 nan 8.230 nan 0.000 0.430 5 S N 0.342 115.938 115.700 -0.173 0.000 2.677 5 S HA 0.779 5.250 4.470 0.001 0.000 0.304 5 S C -0.657 173.786 174.600 -0.262 0.000 1.108 5 S CA -0.975 57.045 58.200 -0.301 0.000 0.944 5 S CB 1.955 64.972 63.200 -0.304 0.000 1.127 5 S HN 0.561 nan 8.310 nan 0.000 0.511 6 R N 0.748 121.051 120.500 -0.329 0.000 2.294 6 R HA 0.545 4.885 4.340 0.001 0.000 0.319 6 R C -1.287 174.848 176.300 -0.275 0.000 0.984 6 R CA -0.651 55.151 56.100 -0.498 0.000 0.861 6 R CB 0.446 30.444 30.300 -0.503 0.000 1.104 6 R HN 0.645 nan 8.270 nan 0.000 0.451 7 I N 4.429 124.836 120.570 -0.271 0.000 2.390 7 I HA 0.245 4.415 4.170 0.001 0.000 0.283 7 I C -0.683 175.363 176.117 -0.120 0.000 1.016 7 I CA -0.790 60.418 61.300 -0.153 0.000 1.151 7 I CB 1.343 39.261 38.000 -0.137 0.000 1.293 7 I HN 0.579 nan 8.210 nan 0.000 0.458 8 D N 5.645 125.998 120.400 -0.078 0.000 2.264 8 D HA 0.505 5.146 4.640 0.001 0.000 0.250 8 D C 0.092 176.392 176.300 -0.001 0.000 1.113 8 D CA -0.004 53.981 54.000 -0.026 0.000 0.871 8 D CB 2.387 43.181 40.800 -0.010 0.000 1.167 8 D HN 0.587 nan 8.370 nan 0.000 0.447 9 A N 3.038 125.899 122.820 0.068 0.000 2.291 9 A HA 0.299 4.620 4.320 0.001 0.000 0.311 9 A C -0.210 177.462 177.584 0.147 0.000 1.224 9 A CA -0.796 51.295 52.037 0.089 0.000 0.821 9 A CB 0.635 19.737 19.000 0.170 0.000 1.172 9 A HN 0.439 nan 8.150 nan 0.000 0.494 10 N N 3.845 122.586 118.700 0.068 0.000 2.621 10 N HA 0.200 4.940 4.740 0.001 0.000 0.237 10 N C 0.624 176.166 175.510 0.053 0.000 0.997 10 N CA -0.392 52.721 53.050 0.105 0.000 0.918 10 N CB 0.763 39.298 38.487 0.081 0.000 1.122 10 N HN 0.669 nan 8.380 nan 0.000 0.510 11 L N 2.360 123.674 121.223 0.152 0.000 2.369 11 L HA -0.184 4.157 4.340 0.001 0.000 0.220 11 L C 1.332 178.234 176.870 0.054 0.000 1.119 11 L CA 1.211 56.122 54.840 0.118 0.000 0.780 11 L CB -0.090 42.096 42.059 0.212 0.000 0.906 11 L HN 0.554 nan 8.230 nan 0.000 0.442 12 L N -1.257 119.976 121.223 0.017 0.000 2.808 12 L HA 0.073 4.414 4.340 0.001 0.000 0.246 12 L C 2.092 178.972 176.870 0.018 0.000 1.153 12 L CA -0.141 54.746 54.840 0.078 0.000 0.956 12 L CB 0.007 42.048 42.059 -0.029 0.000 1.270 12 L HN 0.201 nan 8.230 nan 0.000 0.528 13 Q N 0.753 120.474 119.800 -0.132 0.000 2.077 13 Q HA -0.249 4.092 4.340 0.001 0.000 0.206 13 Q C 1.600 177.440 176.000 -0.266 0.000 0.989 13 Q CA 2.212 57.883 55.803 -0.220 0.000 0.853 13 Q CB -0.096 28.442 28.738 -0.333 0.000 0.907 13 Q HN 0.459 nan 8.270 nan 0.000 0.418 14 Y N -1.015 119.032 120.300 -0.422 0.000 2.639 14 Y HA -0.014 4.537 4.550 0.001 0.000 0.297 14 Y C -0.129 175.208 175.900 -0.939 0.000 1.151 14 Y CA 0.118 57.792 58.100 -0.711 0.000 1.335 14 Y CB -0.318 37.603 38.460 -0.899 0.000 0.994 14 Y HN 0.109 nan 8.280 nan 0.000 0.548 15 Y N -1.003 119.187 120.300 -0.182 0.000 2.528 15 Y HA 0.308 4.858 4.550 0.001 0.000 0.335 15 Y C 1.440 177.256 175.900 -0.141 0.000 1.093 15 Y CA -1.502 56.416 58.100 -0.305 0.000 1.134 15 Y CB 0.937 38.916 38.460 -0.802 0.000 1.253 15 Y HN -0.191 nan 8.280 nan 0.000 0.478 16 E N 0.355 120.599 120.200 0.073 0.000 2.051 16 E HA -0.027 4.324 4.350 0.001 0.000 0.189 16 E C 0.106 176.777 176.600 0.117 0.000 0.979 16 E CA 0.517 56.958 56.400 0.069 0.000 0.803 16 E CB 0.235 29.971 29.700 0.061 0.000 0.761 16 E HN 0.271 nan 8.360 nan 0.000 0.451 17 K N 2.132 122.639 120.400 0.179 0.000 2.382 17 K HA 0.017 4.337 4.320 0.001 0.000 0.286 17 K C -2.120 174.585 176.600 0.175 0.000 1.062 17 K CA -1.239 55.154 56.287 0.177 0.000 1.000 17 K CB 0.726 33.345 32.500 0.198 0.000 0.954 17 K HN 0.147 nan 8.250 nan 0.000 0.470 18 P HA -0.018 nan 4.420 nan 0.000 0.246 18 P C -1.051 176.278 177.300 0.048 0.000 1.686 18 P CA 0.159 63.319 63.100 0.098 0.000 0.867 18 P CB -0.197 31.576 31.700 0.121 0.000 1.733 19 E N -1.302 118.900 120.200 0.003 0.000 2.649 19 E HA 0.333 4.684 4.350 0.001 0.000 0.308 19 E C -3.371 173.116 176.600 -0.189 0.000 1.017 19 E CA -2.090 54.258 56.400 -0.088 0.000 0.848 19 E CB -0.030 29.663 29.700 -0.011 0.000 1.240 19 E HN -0.169 nan 8.360 nan 0.000 0.421 20 P HA 0.015 nan 4.420 nan 0.000 0.267 20 P C -0.035 177.051 177.300 -0.357 0.000 1.201 20 P CA -0.051 62.742 63.100 -0.511 0.000 0.775 20 P CB 0.566 32.030 31.700 -0.393 0.000 0.854 21 N N 1.319 119.765 118.700 -0.424 0.000 2.333 21 N HA -0.094 4.646 4.740 0.001 0.000 0.178 21 N C 0.369 175.788 175.510 -0.152 0.000 1.018 21 N CA 0.583 53.496 53.050 -0.228 0.000 0.882 21 N CB -0.347 38.018 38.487 -0.202 0.000 0.984 21 N HN 0.270 nan 8.380 nan 0.000 0.434 22 N N 0.127 118.723 118.700 -0.174 0.000 2.602 22 N HA 0.132 4.873 4.740 0.001 0.000 0.238 22 N C -1.686 173.771 175.510 -0.087 0.000 1.084 22 N CA 0.145 53.130 53.050 -0.109 0.000 0.952 22 N CB 0.112 38.537 38.487 -0.103 0.000 1.244 22 N HN -0.088 nan 8.380 nan 0.000 0.512 23 T N 2.635 117.159 114.554 -0.051 0.000 2.890 23 T HA 0.355 4.706 4.350 0.001 0.000 0.295 23 T C -0.518 174.190 174.700 0.012 0.000 0.993 23 T CA -0.682 61.409 62.100 -0.015 0.000 0.979 23 T CB 0.821 69.690 68.868 0.002 0.000 0.967 23 T HN 0.255 nan 8.240 nan 0.000 0.441 24 V N 0.517 120.441 119.914 0.016 0.000 2.483 24 V HA 0.683 4.804 4.120 0.001 0.000 0.295 24 V C -0.657 175.487 176.094 0.083 0.000 1.035 24 V CA -0.810 61.523 62.300 0.056 0.000 0.896 24 V CB 1.886 33.743 31.823 0.056 0.000 0.986 24 V HN 0.712 nan 8.190 nan 0.000 0.447 25 D N 4.972 125.457 120.400 0.142 0.000 2.441 25 D HA 0.452 5.093 4.640 0.001 0.000 0.231 25 D C -0.488 175.932 176.300 0.201 0.000 1.073 25 D CA -0.030 54.070 54.000 0.167 0.000 0.850 25 D CB 2.043 43.023 40.800 0.300 0.000 1.062 25 D HN 0.540 nan 8.370 nan 0.000 0.524 26 L N 2.670 123.926 121.223 0.054 0.000 2.292 26 L HA 0.332 4.673 4.340 0.001 0.000 0.284 26 L C -0.530 176.448 176.870 0.180 0.000 1.065 26 L CA -0.680 54.189 54.840 0.048 0.000 0.806 26 L CB 0.442 42.252 42.059 -0.416 0.000 1.175 26 L HN 0.215 nan 8.230 nan 0.000 0.431 27 Y N 1.784 122.267 120.300 0.306 0.000 2.446 27 Y HA 0.522 5.072 4.550 0.001 0.000 0.338 27 Y C 0.130 176.117 175.900 0.144 0.000 1.055 27 Y CA -0.829 57.412 58.100 0.235 0.000 1.101 27 Y CB 2.000 40.514 38.460 0.090 0.000 1.221 27 Y HN 0.142 nan 8.280 nan 0.000 0.460 28 V N 2.659 122.591 119.914 0.030 0.000 2.513 28 V HA 0.480 4.601 4.120 0.001 0.000 0.299 28 V C -0.068 175.864 176.094 -0.270 0.000 1.035 28 V CA -0.850 61.140 62.300 -0.517 0.000 0.889 28 V CB 1.703 33.199 31.823 -0.546 0.000 0.988 28 V HN 0.939 nan 8.190 nan 0.000 0.440 54 S N 0.859 116.503 115.700 -0.093 0.000 2.562 54 S HA 0.224 4.695 4.470 0.001 0.000 0.246 54 S C 0.940 175.194 174.600 -0.575 0.000 1.056 54 S CA -0.215 57.870 58.200 -0.192 0.000 1.042 54 S CB 0.844 64.011 63.200 -0.056 0.000 0.822 54 S HN 0.761 nan 8.310 nan 0.000 0.465 55 E N 0.406 120.264 120.200 -0.569 0.000 2.500 55 E HA 0.245 4.596 4.350 0.001 0.000 0.217 55 E C -0.677 175.600 176.600 -0.540 0.000 0.848 55 E CA -0.104 55.890 56.400 -0.677 0.000 1.217 55 E CB 0.726 30.215 29.700 -0.353 0.000 1.217 55 E HN 0.389 nan 8.360 nan 0.000 0.573 56 Y N 0.158 120.159 120.300 -0.500 0.000 2.521 56 Y HA 0.441 4.992 4.550 0.001 0.000 0.328 56 Y C -1.823 173.819 175.900 -0.431 0.000 1.151 56 Y CA -0.704 57.186 58.100 -0.351 0.000 1.054 56 Y CB 1.728 40.079 38.460 -0.182 0.000 1.338 56 Y HN 0.003 nan 8.280 nan 0.000 0.453 57 S N 5.253 120.161 115.700 -1.320 0.000 2.535 57 S HA 0.697 5.168 4.470 0.001 0.000 0.272 57 S C -1.990 171.845 174.600 -1.274 0.000 1.149 57 S CA -0.808 56.598 58.200 -1.323 0.000 0.888 57 S CB 2.261 64.486 63.200 -1.625 0.000 1.110 57 S HN 0.768 nan 8.310 nan 0.000 0.463 58 N N -0.286 117.669 118.700 -1.240 0.000 2.934 58 N HA 0.586 5.327 4.740 0.001 0.000 0.253 58 N C -1.967 173.108 175.510 -0.725 0.000 1.466 58 N CA -0.294 52.225 53.050 -0.885 0.000 0.858 58 N CB 2.055 40.088 38.487 -0.756 0.000 1.459 58 N HN 0.802 nan 8.380 nan 0.000 0.532 59 C N 1.532 120.656 119.300 -0.293 0.000 2.396 59 C HA 0.649 5.110 4.460 0.001 0.000 0.321 59 C C -0.552 174.522 174.990 0.141 0.000 1.233 59 C CA -0.602 58.381 59.018 -0.058 0.000 1.440 59 C CB 0.308 28.033 27.740 -0.025 0.000 2.110 59 C HN 0.550 nan 8.230 nan 0.000 0.473 60 L N 4.867 126.225 121.223 0.225 0.000 2.346 60 L HA 0.752 5.093 4.340 0.001 0.000 0.276 60 L C -0.606 176.315 176.870 0.084 0.000 1.006 60 L CA -0.364 54.593 54.840 0.196 0.000 0.817 60 L CB 1.310 43.499 42.059 0.216 0.000 1.272 60 L HN 0.587 nan 8.230 nan 0.000 0.421 61 L N 5.011 126.188 121.223 -0.077 0.000 2.395 61 L HA 0.540 4.881 4.340 0.001 0.000 0.269 61 L C -0.645 176.108 176.870 -0.196 0.000 1.133 61 L CA 0.252 54.852 54.840 -0.401 0.000 0.812 61 L CB 0.740 42.514 42.059 -0.475 0.000 1.125 61 L HN 0.682 nan 8.230 nan 0.000 0.452 62 L N 1.974 123.076 121.223 -0.201 0.000 2.422 62 L HA 0.488 4.829 4.340 0.001 0.000 0.263 62 L C 1.327 178.130 176.870 -0.111 0.000 1.110 62 L CA -0.708 54.077 54.840 -0.093 0.000 1.065 62 L CB 0.838 42.900 42.059 0.005 0.000 1.701 62 L HN 0.598 nan 8.230 nan 0.000 0.548 63 S N 0.372 116.029 115.700 -0.071 0.000 2.395 63 S HA -0.091 4.380 4.470 0.001 0.000 0.225 63 S C 1.197 175.733 174.600 -0.107 0.000 1.027 63 S CA 1.254 59.408 58.200 -0.077 0.000 0.965 63 S CB -0.419 62.753 63.200 -0.047 0.000 0.812 63 S HN 0.749 nan 8.310 nan 0.000 0.482 64 N N 1.162 119.783 118.700 -0.132 0.000 2.501 64 N HA 0.117 4.857 4.740 0.001 0.000 0.195 64 N C 0.059 175.456 175.510 -0.188 0.000 1.213 64 N CA 0.431 53.373 53.050 -0.180 0.000 0.864 64 N CB -0.450 37.864 38.487 -0.288 0.000 0.999 64 N HN 0.060 nan 8.380 nan 0.000 0.454 65 S N -1.467 114.122 115.700 -0.184 0.000 3.380 65 S HA -0.163 4.308 4.470 0.001 0.000 0.300 65 S C -0.238 174.238 174.600 -0.207 0.000 1.255 65 S CA 0.820 58.901 58.200 -0.197 0.000 0.963 65 S CB -1.013 62.111 63.200 -0.126 0.000 1.106 65 S HN 0.574 nan 8.310 nan 0.000 0.629 66 E N -0.459 119.611 120.200 -0.216 0.000 2.250 66 E HA 0.511 4.861 4.350 0.001 0.000 0.269 66 E C -0.576 175.951 176.600 -0.123 0.000 1.018 66 E CA -0.353 55.976 56.400 -0.118 0.000 0.873 66 E CB 0.702 30.282 29.700 -0.200 0.000 1.134 66 E HN 0.350 nan 8.360 nan 0.000 0.403 67 Y N 0.717 121.054 120.300 0.061 0.000 2.335 67 Y HA 0.347 4.898 4.550 0.001 0.000 0.338 67 Y C 0.028 175.984 175.900 0.093 0.000 0.977 67 Y CA -0.724 57.404 58.100 0.046 0.000 1.114 67 Y CB 1.285 39.735 38.460 -0.018 0.000 1.182 67 Y HN 0.329 nan 8.280 nan 0.000 0.463 68 I N 3.417 124.126 120.570 0.232 0.000 2.441 68 I HA 0.535 4.705 4.170 0.001 0.000 0.295 68 I C -1.035 175.122 176.117 0.067 0.000 0.994 68 I CA -0.554 60.842 61.300 0.158 0.000 1.144 68 I CB 0.592 38.697 38.000 0.174 0.000 1.314 68 I HN 0.620 nan 8.210 nan 0.000 0.445 69 C N 6.962 126.151 119.300 -0.185 0.000 2.391 69 C HA 0.751 5.212 4.460 0.001 0.000 0.339 69 C C -0.914 173.866 174.990 -0.352 0.000 1.205 69 C CA -0.481 58.291 59.018 -0.410 0.000 1.937 69 C CB 0.587 27.785 27.740 -0.903 0.000 2.341 69 C HN 0.691 nan 8.230 nan 0.000 0.516 70 Y N -0.506 119.588 120.300 -0.343 0.000 2.492 70 Y HA 0.676 5.226 4.550 0.001 0.000 0.346 70 Y C -0.659 175.091 175.900 -0.251 0.000 0.997 70 Y CA -0.953 56.858 58.100 -0.483 0.000 1.025 70 Y CB 0.827 38.870 38.460 -0.695 0.000 1.263 70 Y HN 0.699 nan 8.280 nan 0.000 0.454 71 H N 3.881 122.785 119.070 -0.275 0.000 2.589 71 H HA 0.360 4.917 4.556 0.001 0.000 0.351 71 H C -1.795 173.530 175.328 -0.005 0.000 1.074 71 H CA -0.893 55.051 56.048 -0.174 0.000 1.203 71 H CB 2.510 32.154 29.762 -0.197 0.000 1.558 71 H HN 0.828 nan 8.280 nan 0.000 0.522 72 F N 3.396 123.329 119.950 -0.028 0.000 2.385 72 F HA 0.108 4.635 4.527 0.001 0.000 0.360 72 F C 0.960 176.709 175.800 -0.084 0.000 1.122 72 F CA -0.884 57.090 58.000 -0.042 0.000 1.090 72 F CB 0.900 39.899 39.000 -0.001 0.000 1.150 72 F HN 0.561 nan 8.300 nan 0.000 0.472 73 S N 3.254 118.985 115.700 0.051 0.000 2.589 73 S HA -0.065 4.406 4.470 0.001 0.000 0.256 73 S C 1.180 175.639 174.600 -0.236 0.000 1.383 73 S CA -0.026 58.111 58.200 -0.104 0.000 0.983 73 S CB 1.167 64.314 63.200 -0.089 0.000 0.908 73 S HN 0.751 nan 8.310 nan 0.000 0.572 74 S N 1.377 116.963 115.700 -0.190 0.000 2.353 74 S HA -0.117 4.354 4.470 0.001 0.000 0.222 74 S C 1.862 176.326 174.600 -0.227 0.000 1.035 74 S CA 1.523 59.604 58.200 -0.197 0.000 1.025 74 S CB -0.514 62.614 63.200 -0.119 0.000 0.902 74 S HN 0.729 nan 8.310 nan 0.000 0.440 75 R N 1.258 121.641 120.500 -0.195 0.000 2.339 75 R HA 0.159 4.500 4.340 0.001 0.000 0.199 75 R C 0.432 176.547 176.300 -0.308 0.000 1.018 75 R CA 0.459 56.447 56.100 -0.186 0.000 1.036 75 R CB -0.231 30.006 30.300 -0.105 0.000 0.899 75 R HN 0.221 nan 8.270 nan 0.000 0.473 76 S N -0.782 114.569 115.700 -0.580 0.000 3.521 76 S HA -0.169 4.301 4.470 0.001 0.000 0.328 76 S C 1.054 175.332 174.600 -0.537 0.000 1.165 76 S CA 1.376 58.878 58.200 -1.164 0.000 0.941 76 S CB -1.459 61.235 63.200 -0.843 0.000 0.951 76 S HN 0.741 nan 8.310 nan 0.000 0.539 77 T N -2.761 111.657 114.554 -0.226 0.000 3.001 77 T HA 0.567 4.918 4.350 0.001 0.000 0.251 77 T C 0.108 174.857 174.700 0.082 0.000 1.040 77 T CA -0.045 62.053 62.100 -0.004 0.000 0.985 77 T CB 0.285 69.152 68.868 -0.001 0.000 1.011 77 T HN 0.330 nan 8.240 nan 0.000 0.509 78 L N 1.034 122.307 121.223 0.085 0.000 2.408 78 L HA 0.809 5.150 4.340 0.001 0.000 0.268 78 L C -1.782 175.197 176.870 0.183 0.000 0.986 78 L CA -1.231 53.631 54.840 0.037 0.000 0.820 78 L CB 2.226 44.221 42.059 -0.108 0.000 1.303 78 L HN 0.150 nan 8.230 nan 0.000 0.411 79 L N 3.435 124.677 121.223 0.032 0.000 2.341 79 L HA 0.783 5.123 4.340 0.001 0.000 0.278 79 L C -0.645 176.118 176.870 -0.177 0.000 1.005 79 L CA 0.239 55.031 54.840 -0.080 0.000 0.818 79 L CB 2.180 44.147 42.059 -0.153 0.000 1.259 79 L HN 0.732 nan 8.230 nan 0.000 0.418 80 T N 4.229 118.602 114.554 -0.302 0.000 2.863 80 T HA 0.658 5.009 4.350 0.001 0.000 0.285 80 T C -1.074 173.351 174.700 -0.458 0.000 1.009 80 T CA -0.171 61.786 62.100 -0.237 0.000 0.989 80 T CB 0.916 69.700 68.868 -0.141 0.000 1.004 80 T HN 0.187 nan 8.240 nan 0.000 0.455 81 F N 2.597 122.550 119.950 0.006 0.000 2.540 81 F HA 0.691 5.218 4.527 0.001 0.000 0.317 81 F C -0.661 175.168 175.800 0.049 0.000 1.104 81 F CA -0.964 57.020 58.000 -0.027 0.000 0.913 81 F CB 1.825 40.788 39.000 -0.061 0.000 1.170 81 F HN 0.658 nan 8.300 nan 0.000 0.450 82 Y N 1.207 121.598 120.300 0.152 0.000 2.565 82 Y HA 0.608 5.159 4.550 0.001 0.000 0.330 82 Y C -3.491 172.490 175.900 0.134 0.000 1.150 82 Y CA -3.429 54.741 58.100 0.116 0.000 1.055 82 Y CB 1.104 39.665 38.460 0.169 0.000 1.337 82 Y HN 0.261 nan 8.280 nan 0.000 0.457 83 P HA 0.083 nan 4.420 nan 0.000 0.282 83 P C 0.583 178.109 177.300 0.377 0.000 1.262 83 P CA -0.278 63.014 63.100 0.320 0.000 0.773 83 P CB 2.212 34.124 31.700 0.355 0.000 0.879 84 L N 4.679 126.043 121.223 0.236 0.000 2.013 84 L HA -0.231 4.110 4.340 0.001 0.000 0.212 84 L C 2.267 179.218 176.870 0.135 0.000 1.073 84 L CA 2.859 57.760 54.840 0.100 0.000 0.753 84 L CB -1.092 40.884 42.059 -0.138 0.000 0.890 84 L HN 0.468 nan 8.230 nan 0.000 0.432 85 S N -2.660 113.148 115.700 0.181 0.000 2.562 85 S HA -0.009 4.462 4.470 0.001 0.000 0.221 85 S C 0.791 175.486 174.600 0.158 0.000 0.975 85 S CA 0.489 58.788 58.200 0.166 0.000 0.918 85 S CB -0.181 63.106 63.200 0.145 0.000 0.772 85 S HN 0.557 nan 8.310 nan 0.000 0.531 86 D N 0.190 120.719 120.400 0.216 0.000 2.968 86 D HA 0.576 5.216 4.640 0.001 0.000 0.301 86 D C 0.805 177.226 176.300 0.201 0.000 1.226 86 D CA 0.147 54.282 54.000 0.225 0.000 0.746 86 D CB 0.549 41.494 40.800 0.241 0.000 1.278 86 D HN 0.159 nan 8.370 nan 0.000 0.544 87 A N 0.466 123.392 122.820 0.177 0.000 1.930 87 A HA -0.161 4.159 4.320 0.001 0.000 0.217 87 A C 1.796 179.309 177.584 -0.118 0.000 1.175 87 A CA 1.066 53.140 52.037 0.061 0.000 0.627 87 A CB -0.558 18.439 19.000 -0.004 0.000 0.815 87 A HN 0.518 nan 8.150 nan 0.000 0.443 88 Y N -0.079 120.048 120.300 -0.287 0.000 2.114 88 Y HA -0.154 4.396 4.550 0.001 0.000 0.284 88 Y C 2.599 178.205 175.900 -0.491 0.000 1.119 88 Y CA 2.128 59.885 58.100 -0.573 0.000 1.108 88 Y CB -0.332 37.456 38.460 -1.121 0.000 0.995 88 Y HN 0.458 nan 8.280 nan 0.000 0.491 89 H N -0.492 118.524 119.070 -0.089 0.000 2.482 89 H HA 0.156 4.713 4.556 0.001 0.000 0.286 89 H C 1.255 176.541 175.328 -0.069 0.000 1.017 89 H CA 0.615 56.593 56.048 -0.116 0.000 1.322 89 H CB -0.749 29.040 29.762 0.045 0.000 1.426 89 H HN 0.340 nan 8.280 nan 0.000 0.546 90 G N 0.970 109.825 108.800 0.092 0.000 2.667 90 G HA2 0.120 4.081 3.960 0.001 0.000 0.250 90 G HA3 0.120 4.081 3.960 0.001 0.000 0.250 90 G C -0.090 174.812 174.900 0.004 0.000 1.212 90 G CA -0.505 44.648 45.100 0.088 0.000 0.874 90 G HN 0.172 nan 8.290 nan 0.000 0.561 91 K N -0.380 120.010 120.400 -0.018 0.000 2.211 91 K HA 0.425 4.745 4.320 0.001 0.000 0.275 91 K C 0.118 176.712 176.600 -0.011 0.000 1.024 91 K CA -0.482 55.764 56.287 -0.068 0.000 0.887 91 K CB 0.814 33.213 32.500 -0.168 0.000 1.084 91 K HN 0.565 nan 8.250 nan 0.000 0.463 92 T N 2.400 116.975 114.554 0.036 0.000 2.829 92 T HA 0.483 4.834 4.350 0.001 0.000 0.282 92 T C 0.044 174.784 174.700 0.067 0.000 0.990 92 T CA -0.825 61.357 62.100 0.136 0.000 1.028 92 T CB 0.399 69.398 68.868 0.219 0.000 0.951 92 T HN 0.462 nan 8.240 nan 0.000 0.460 93 I N 3.524 124.158 120.570 0.107 0.000 2.362 93 I HA 0.351 4.522 4.170 0.001 0.000 0.289 93 I C -0.215 175.968 176.117 0.110 0.000 0.994 93 I CA -1.065 60.292 61.300 0.095 0.000 1.158 93 I CB 1.337 39.403 38.000 0.110 0.000 1.315 93 I HN 0.561 nan 8.210 nan 0.000 0.451 94 N N 7.629 126.336 118.700 0.013 0.000 2.439 94 N HA 0.441 5.182 4.740 0.001 0.000 0.249 94 N C -0.585 174.815 175.510 -0.184 0.000 1.003 94 N CA -0.223 52.755 53.050 -0.121 0.000 0.942 94 N CB 1.929 40.285 38.487 -0.217 0.000 1.115 94 N HN 0.520 nan 8.380 nan 0.000 0.505 95 I N 3.790 124.288 120.570 -0.120 0.000 2.307 95 I HA 0.106 4.277 4.170 0.001 0.000 0.287 95 I C 0.673 176.698 176.117 -0.155 0.000 1.054 95 I CA -0.542 60.722 61.300 -0.061 0.000 1.218 95 I CB 0.288 38.359 38.000 0.118 0.000 1.398 95 I HN 0.257 nan 8.210 nan 0.000 0.475 96 H N 6.660 125.634 119.070 -0.160 0.000 2.690 96 H HA 0.450 5.006 4.556 0.001 0.000 0.365 96 H C -0.317 174.985 175.328 -0.045 0.000 1.142 96 H CA 0.049 56.002 56.048 -0.159 0.000 1.417 96 H CB 1.443 30.965 29.762 -0.401 0.000 1.446 96 H HN 0.390 nan 8.280 nan 0.000 0.599 97 L N 2.790 124.080 121.223 0.113 0.000 2.370 97 L HA 0.211 4.552 4.340 0.001 0.000 0.266 97 L C -1.186 175.728 176.870 0.073 0.000 1.002 97 L CA -1.902 52.983 54.840 0.075 0.000 0.818 97 L CB 2.453 44.571 42.059 0.099 0.000 1.325 97 L HN 0.420 nan 8.230 nan 0.000 0.418 98 P HA -0.148 nan 4.420 nan 0.000 0.215 98 P C -0.046 177.287 177.300 0.055 0.000 1.157 98 P CA 1.448 64.576 63.100 0.048 0.000 0.874 98 P CB 0.377 32.098 31.700 0.035 0.000 0.790 99 N N -2.526 116.208 118.700 0.056 0.000 2.961 99 N HA 0.353 5.094 4.740 0.001 0.000 0.245 99 N C -1.228 174.314 175.510 0.053 0.000 1.404 99 N CA -0.339 52.742 53.050 0.051 0.000 0.880 99 N CB 1.755 40.271 38.487 0.049 0.000 1.461 99 N HN -0.038 nan 8.380 nan 0.000 0.510 100 A N 0.633 123.470 122.820 0.027 0.000 2.567 100 A HA 0.274 4.595 4.320 0.001 0.000 0.236 100 A C 0.793 178.408 177.584 0.053 0.000 1.088 100 A CA 0.532 52.571 52.037 0.003 0.000 0.776 100 A CB -0.422 18.554 19.000 -0.039 0.000 1.033 100 A HN 0.719 nan 8.150 nan 0.000 0.513 101 S N 0.605 116.350 115.700 0.075 0.000 2.655 101 S HA 0.367 4.838 4.470 0.001 0.000 0.265 101 S C 1.054 175.699 174.600 0.075 0.000 1.240 101 S CA 0.229 58.500 58.200 0.119 0.000 0.986 101 S CB 0.545 63.878 63.200 0.222 0.000 0.985 101 S HN 0.771 nan 8.310 nan 0.000 0.562 102 M N 1.109 120.755 119.600 0.076 0.000 2.065 102 M HA 0.017 4.498 4.480 0.001 0.000 0.259 102 M C 0.631 176.981 176.300 0.083 0.000 1.071 102 M CA 1.937 57.276 55.300 0.065 0.000 1.109 102 M CB -0.983 31.636 32.600 0.031 0.000 1.313 102 M HN 0.829 nan 8.290 nan 0.000 0.408 103 N N 0.573 119.344 118.700 0.118 0.000 2.813 103 N HA 0.261 5.001 4.740 0.001 0.000 0.282 103 N C -1.156 174.469 175.510 0.192 0.000 1.748 103 N CA -0.106 53.042 53.050 0.162 0.000 0.860 103 N CB 0.205 38.816 38.487 0.207 0.000 1.204 103 N HN 0.495 nan 8.380 nan 0.000 0.490 104 Q N -0.584 119.264 119.800 0.080 0.000 0.976 104 Q HA -0.354 3.987 4.340 0.001 0.000 0.388 104 Q C 0.722 176.763 176.000 0.068 0.000 1.040 104 Q CA 1.990 57.780 55.803 -0.021 0.000 0.466 104 Q CB -0.493 28.201 28.738 -0.073 0.000 5.189 104 Q HN 0.672 nan 8.270 nan 0.000 0.463 105 R N -0.463 119.980 120.500 -0.095 0.000 2.377 105 R HA -0.112 4.229 4.340 0.001 0.000 0.207 105 R C 1.234 177.359 176.300 -0.293 0.000 1.075 105 R CA 2.001 58.009 56.100 -0.154 0.000 1.035 105 R CB -0.399 29.567 30.300 -0.557 0.000 0.857 105 R HN 0.488 nan 8.270 nan 0.000 0.475 106 Y N 0.729 121.037 120.300 0.014 0.000 2.420 106 Y HA 0.030 4.581 4.550 0.001 0.000 0.292 106 Y C 1.896 177.914 175.900 0.196 0.000 1.119 106 Y CA 1.237 59.387 58.100 0.084 0.000 1.229 106 Y CB -0.091 38.358 38.460 -0.018 0.000 1.026 106 Y HN 0.303 nan 8.280 nan 0.000 0.554 107 T N -1.879 112.819 114.554 0.240 0.000 3.206 107 T HA 0.294 4.644 4.350 0.001 0.000 0.253 107 T C -0.031 174.719 174.700 0.084 0.000 1.042 107 T CA -0.150 62.048 62.100 0.162 0.000 0.931 107 T CB -0.738 68.205 68.868 0.124 0.000 1.029 107 T HN 0.144 nan 8.240 nan 0.000 0.564 108 L N 0.342 121.592 121.223 0.045 0.000 2.341 108 L HA 0.841 5.181 4.340 0.001 0.000 0.267 108 L C -0.964 175.849 176.870 -0.095 0.000 1.009 108 L CA -0.420 54.372 54.840 -0.080 0.000 0.819 108 L CB 2.510 44.447 42.059 -0.205 0.000 1.323 108 L HN 0.137 nan 8.230 nan 0.000 0.425 109 T N 3.908 118.373 114.554 -0.150 0.000 2.916 109 T HA 0.673 5.024 4.350 0.001 0.000 0.305 109 T C -1.300 173.264 174.700 -0.227 0.000 1.119 109 T CA -0.401 61.607 62.100 -0.152 0.000 1.008 109 T CB 1.130 69.948 68.868 -0.083 0.000 1.129 109 T HN 0.506 nan 8.240 nan 0.000 0.480 110 I N 4.394 124.801 120.570 -0.272 0.000 2.563 110 I HA 0.352 4.523 4.170 0.001 0.000 0.281 110 I C -0.707 175.225 176.117 -0.308 0.000 1.110 110 I CA -0.756 60.364 61.300 -0.300 0.000 1.073 110 I CB 1.687 39.426 38.000 -0.435 0.000 1.215 110 I HN 0.461 nan 8.210 nan 0.000 0.460 111 Q N 4.129 123.715 119.800 -0.358 0.000 2.458 111 Q HA 0.456 4.796 4.340 0.001 0.000 0.282 111 Q C -0.934 174.922 176.000 -0.240 0.000 1.106 111 Q CA -0.781 54.776 55.803 -0.411 0.000 0.814 111 Q CB 3.156 31.346 28.738 -0.913 0.000 1.425 111 Q HN 0.529 nan 8.270 nan 0.000 0.437 112 E N 1.569 121.667 120.200 -0.170 0.000 2.055 112 E HA 0.240 4.591 4.350 0.001 0.000 0.274 112 E C 0.697 177.266 176.600 -0.052 0.000 0.949 112 E CA -0.275 56.072 56.400 -0.089 0.000 0.775 112 E CB 0.855 30.520 29.700 -0.058 0.000 1.097 112 E HN 0.522 nan 8.360 nan 0.000 0.404 113 V N 2.581 122.482 119.914 -0.022 0.000 2.267 113 V HA 0.010 4.131 4.120 0.001 0.000 0.228 113 V C 0.493 176.598 176.094 0.018 0.000 1.040 113 V CA 0.859 63.174 62.300 0.025 0.000 1.010 113 V CB -0.511 31.341 31.823 0.049 0.000 0.649 113 V HN 0.734 nan 8.190 nan 0.000 0.464 114 E N 0.112 120.322 120.200 0.017 0.000 2.373 114 E HA 0.325 4.676 4.350 0.001 0.000 0.251 114 E C -0.897 175.711 176.600 0.014 0.000 0.923 114 E CA -0.782 55.626 56.400 0.013 0.000 0.798 114 E CB 1.405 31.114 29.700 0.016 0.000 1.303 114 E HN 0.486 nan 8.360 nan 0.000 0.412 115 Q N 0.452 120.259 119.800 0.011 0.000 2.494 115 Q HA -0.239 4.102 4.340 0.001 0.000 0.266 115 Q C -0.725 175.290 176.000 0.024 0.000 1.053 115 Q CA 1.284 57.100 55.803 0.021 0.000 1.029 115 Q CB -2.100 26.652 28.738 0.024 0.000 1.423 115 Q HN 0.864 nan 8.270 nan 0.000 0.516 116 Q N -0.737 119.069 119.800 0.010 0.000 2.482 116 Q HA 0.612 4.953 4.340 0.001 0.000 0.286 116 Q C -0.784 175.194 176.000 -0.036 0.000 1.007 116 Q CA -0.834 54.967 55.803 -0.004 0.000 0.801 116 Q CB 1.736 30.480 28.738 0.009 0.000 1.455 116 Q HN 0.193 nan 8.270 nan 0.000 0.398 117 L N 2.794 123.972 121.223 -0.075 0.000 2.264 117 L HA 0.338 4.679 4.340 0.001 0.000 0.287 117 L C -0.953 175.856 176.870 -0.102 0.000 1.039 117 L CA -0.636 54.129 54.840 -0.125 0.000 0.829 117 L CB 0.695 42.609 42.059 -0.242 0.000 1.211 117 L HN 0.375 nan 8.230 nan 0.000 0.427 118 L N 5.726 126.899 121.223 -0.083 0.000 2.260 118 L HA 0.368 4.709 4.340 0.001 0.000 0.289 118 L C -0.388 176.431 176.870 -0.084 0.000 1.057 118 L CA -0.006 54.807 54.840 -0.044 0.000 0.811 118 L CB 1.406 43.467 42.059 0.003 0.000 1.184 118 L HN 0.184 nan 8.230 nan 0.000 0.429 119 V N 5.700 125.575 119.914 -0.065 0.000 2.357 119 V HA 0.516 4.636 4.120 0.001 0.000 0.284 119 V C -0.224 175.795 176.094 -0.126 0.000 1.018 119 V CA -0.797 61.440 62.300 -0.105 0.000 0.841 119 V CB 1.324 33.103 31.823 -0.073 0.000 0.991 119 V HN 0.715 nan 8.190 nan 0.000 0.437 120 N N 3.314 121.903 118.700 -0.184 0.000 2.362 120 N HA 0.705 5.445 4.740 0.001 0.000 0.298 120 N C -1.115 174.187 175.510 -0.346 0.000 1.048 120 N CA -0.324 52.517 53.050 -0.348 0.000 0.858 120 N CB 2.632 40.927 38.487 -0.320 0.000 1.218 120 N HN 0.395 nan 8.380 nan 0.000 0.488 121 V N 3.002 122.649 119.914 -0.445 0.000 2.555 121 V HA 0.290 4.411 4.120 0.001 0.000 0.283 121 V C 0.112 176.105 176.094 -0.168 0.000 1.020 121 V CA -0.645 61.517 62.300 -0.230 0.000 0.883 121 V CB 1.249 32.993 31.823 -0.131 0.000 1.030 121 V HN 0.555 nan 8.190 nan 0.000 0.448 122 I N 5.548 126.097 120.570 -0.036 0.000 2.578 122 I HA 0.098 4.269 4.170 0.001 0.000 0.286 122 I C 0.455 176.615 176.117 0.072 0.000 1.126 122 I CA 0.444 61.808 61.300 0.106 0.000 1.380 122 I CB 0.197 38.247 38.000 0.083 0.000 1.408 122 I HN 0.433 nan 8.210 nan 0.000 0.532 123 L N 6.973 128.252 121.223 0.094 0.000 2.479 123 L HA 0.176 4.517 4.340 0.001 0.000 0.248 123 L C 1.701 178.627 176.870 0.093 0.000 1.205 123 L CA -0.386 54.509 54.840 0.092 0.000 0.817 123 L CB 0.339 42.453 42.059 0.092 0.000 1.162 123 L HN 0.578 nan 8.230 nan 0.000 0.486 124 K N 0.582 121.031 120.400 0.082 0.000 1.991 124 K HA -0.223 4.098 4.320 0.001 0.000 0.212 124 K C 1.608 178.268 176.600 0.099 0.000 1.049 124 K CA 2.224 58.557 56.287 0.078 0.000 0.932 124 K CB -0.256 32.281 32.500 0.062 0.000 0.717 124 K HN 0.839 nan 8.250 nan 0.000 0.441 125 D N -1.377 119.084 120.400 0.100 0.000 2.203 125 D HA -0.162 4.479 4.640 0.001 0.000 0.199 125 D C 1.103 177.498 176.300 0.158 0.000 0.997 125 D CA 1.835 55.902 54.000 0.111 0.000 0.863 125 D CB -0.159 40.699 40.800 0.096 0.000 0.928 125 D HN 0.428 nan 8.370 nan 0.000 0.458 126 G N -1.764 107.157 108.800 0.202 0.000 2.227 126 G HA2 -0.160 3.801 3.960 0.001 0.000 0.168 126 G HA3 -0.160 3.801 3.960 0.001 0.000 0.168 126 G C 0.216 175.343 174.900 0.379 0.000 1.006 126 G CA 0.064 45.373 45.100 0.348 0.000 0.684 126 G HN 0.438 nan 8.290 nan 0.000 0.489 127 S N -0.325 115.528 115.700 0.256 0.000 2.600 127 S HA 0.613 5.084 4.470 0.001 0.000 0.265 127 S C -0.457 174.337 174.600 0.324 0.000 1.325 127 S CA 0.105 58.454 58.200 0.249 0.000 1.002 127 S CB 1.180 64.479 63.200 0.165 0.000 0.921 127 S HN 0.748 nan 8.310 nan 0.000 0.554 128 F N 2.244 122.275 119.950 0.134 0.000 2.531 128 F HA 0.399 4.926 4.527 0.001 0.000 0.333 128 F C -0.607 175.250 175.800 0.094 0.000 1.292 128 F CA -1.051 57.010 58.000 0.102 0.000 1.184 128 F CB 0.106 39.164 39.000 0.096 0.000 1.426 128 F HN 0.369 nan 8.300 nan 0.000 0.559 129 L N 3.342 124.478 121.223 -0.145 0.000 2.514 129 L HA 0.292 4.632 4.340 0.001 0.000 0.280 129 L C -0.217 176.519 176.870 -0.224 0.000 1.223 129 L CA 1.017 55.802 54.840 -0.093 0.000 0.864 129 L CB 0.572 42.606 42.059 -0.042 0.000 1.118 129 L HN 0.519 nan 8.230 nan 0.000 0.494 130 T N 6.506 121.061 114.554 0.002 0.000 2.864 130 T HA 0.483 4.833 4.350 0.001 0.000 0.299 130 T C -0.273 174.537 174.700 0.183 0.000 1.011 130 T CA -0.441 61.683 62.100 0.039 0.000 0.975 130 T CB 0.627 69.557 68.868 0.104 0.000 0.962 130 T HN 0.439 nan 8.240 nan 0.000 0.448 131 L N 3.277 124.569 121.223 0.115 0.000 2.295 131 L HA 0.490 4.831 4.340 0.001 0.000 0.285 131 L C 0.193 177.157 176.870 0.156 0.000 1.035 131 L CA -0.659 54.295 54.840 0.190 0.000 0.806 131 L CB 1.461 43.607 42.059 0.144 0.000 1.214 131 L HN 0.514 nan 8.230 nan 0.000 0.426 132 Q N 5.344 125.278 119.800 0.223 0.000 2.394 132 Q HA 0.470 4.811 4.340 0.001 0.000 0.261 132 Q C -1.303 174.757 176.000 0.100 0.000 1.023 132 Q CA -0.358 55.532 55.803 0.144 0.000 0.720 132 Q CB 2.215 31.065 28.738 0.186 0.000 1.241 132 Q HN 0.538 nan 8.270 nan 0.000 0.483 133 L N 4.163 125.377 121.223 -0.015 0.000 2.280 133 L HA 0.456 4.797 4.340 0.001 0.000 0.287 133 L C -2.323 174.517 176.870 -0.051 0.000 1.023 133 L CA -2.221 52.565 54.840 -0.090 0.000 0.819 133 L CB 1.095 43.017 42.059 -0.228 0.000 1.212 133 L HN 0.214 nan 8.230 nan 0.000 0.420 134 P HA -0.025 nan 4.420 nan 0.000 0.267 134 P C 0.664 178.003 177.300 0.065 0.000 1.209 134 P CA -0.248 62.875 63.100 0.040 0.000 0.763 134 P CB 0.822 32.556 31.700 0.056 0.000 0.816 135 L N 4.472 125.732 121.223 0.061 0.000 2.137 135 L HA -0.278 4.063 4.340 0.001 0.000 0.213 135 L C 2.177 179.161 176.870 0.190 0.000 1.085 135 L CA 2.520 57.426 54.840 0.110 0.000 0.760 135 L CB -1.145 40.991 42.059 0.129 0.000 0.893 135 L HN 0.417 nan 8.230 nan 0.000 0.434 136 S N -1.239 114.558 115.700 0.161 0.000 2.343 136 S HA -0.287 4.183 4.470 0.001 0.000 0.219 136 S C 2.096 176.780 174.600 0.140 0.000 1.033 136 S CA 1.192 59.497 58.200 0.175 0.000 1.014 136 S CB -1.441 61.835 63.200 0.127 0.000 0.915 136 S HN 0.414 nan 8.310 nan 0.000 0.435 137 F N 2.793 122.724 119.950 -0.031 0.000 2.141 137 F HA -0.114 4.413 4.527 0.001 0.000 0.300 137 F C 1.914 177.622 175.800 -0.155 0.000 1.079 137 F CA 1.403 59.350 58.000 -0.087 0.000 1.264 137 F CB -0.506 38.417 39.000 -0.129 0.000 1.011 137 F HN 0.182 nan 8.300 nan 0.000 0.487 138 L N -1.528 119.529 121.223 -0.277 0.000 2.191 138 L HA -0.188 4.152 4.340 0.001 0.000 0.212 138 L C 1.399 177.790 176.870 -0.798 0.000 1.103 138 L CA 1.008 55.473 54.840 -0.625 0.000 0.769 138 L CB -0.557 41.046 42.059 -0.760 0.000 0.908 138 L HN 0.103 nan 8.230 nan 0.000 0.438 139 F N -1.433 118.449 119.950 -0.114 0.000 2.661 139 F HA 0.145 4.673 4.527 0.001 0.000 0.306 139 F C 1.615 177.364 175.800 -0.085 0.000 1.094 139 F CA -0.464 57.492 58.000 -0.073 0.000 1.254 139 F CB -0.178 38.805 39.000 -0.028 0.000 1.040 139 F HN -0.056 nan 8.300 nan 0.000 0.562 140 S N -1.216 114.457 115.700 -0.045 0.000 2.546 140 S HA 0.241 4.711 4.470 0.001 0.000 0.265 140 S C 1.325 175.868 174.600 -0.095 0.000 1.190 140 S CA 0.265 58.438 58.200 -0.044 0.000 1.014 140 S CB 1.116 64.284 63.200 -0.053 0.000 1.087 140 S HN 0.009 nan 8.310 nan 0.000 0.525 141 S N -1.010 114.647 115.700 -0.071 0.000 2.559 141 S HA 0.476 4.947 4.470 0.001 0.000 0.226 141 S C 0.657 175.212 174.600 -0.076 0.000 1.030 141 S CA 0.096 58.256 58.200 -0.066 0.000 0.956 141 S CB -0.824 62.364 63.200 -0.021 0.000 0.900 141 S HN 1.069 nan 8.310 nan 0.000 0.510 142 A N 1.729 124.510 122.820 -0.065 0.000 2.565 142 A HA 0.212 4.533 4.320 0.001 0.000 0.237 142 A C 0.425 178.017 177.584 0.012 0.000 1.053 142 A CA 0.309 52.358 52.037 0.021 0.000 0.755 142 A CB -0.142 18.953 19.000 0.158 0.000 0.980 142 A HN 0.552 nan 8.150 nan 0.000 0.506 143 N N 0.112 118.862 118.700 0.084 0.000 2.204 143 N HA 0.189 4.930 4.740 0.001 0.000 0.219 143 N C -0.759 174.844 175.510 0.155 0.000 1.151 143 N CA 0.292 53.398 53.050 0.094 0.000 0.867 143 N CB 0.960 39.476 38.487 0.049 0.000 1.043 143 N HN 0.583 nan 8.380 nan 0.000 0.516 144 T N 0.067 114.745 114.554 0.207 0.000 2.903 144 T HA 0.551 4.902 4.350 0.001 0.000 0.299 144 T C -1.546 173.170 174.700 0.027 0.000 1.093 144 T CA -0.515 61.648 62.100 0.106 0.000 1.002 144 T CB 2.248 71.158 68.868 0.071 0.000 1.127 144 T HN -0.161 nan 8.240 nan 0.000 0.488 145 L N 3.014 124.115 121.223 -0.203 0.000 2.436 145 L HA 0.585 4.925 4.340 0.001 0.000 0.268 145 L C -1.207 175.573 176.870 -0.150 0.000 0.974 145 L CA -0.563 54.008 54.840 -0.448 0.000 0.826 145 L CB 1.760 43.169 42.059 -1.083 0.000 1.291 145 L HN 0.535 nan 8.230 nan 0.000 0.406 146 N N 3.083 121.736 118.700 -0.078 0.000 2.489 146 N HA 0.805 5.546 4.740 0.001 0.000 0.284 146 N C 0.258 175.807 175.510 0.065 0.000 1.158 146 N CA 0.299 53.362 53.050 0.022 0.000 0.965 146 N CB 1.680 40.177 38.487 0.017 0.000 1.195 146 N HN 0.966 nan 8.380 nan 0.000 0.506 147 G N 0.785 109.629 108.800 0.073 0.000 2.615 147 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 147 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 147 G C -1.249 173.673 174.900 0.037 0.000 1.339 147 G CA -0.649 44.480 45.100 0.049 0.000 0.884 147 G HN 0.607 nan 8.290 nan 0.000 0.559 148 E N 1.419 121.585 120.200 -0.056 0.000 2.028 148 E HA 0.261 4.612 4.350 0.001 0.000 0.266 148 E C 0.909 177.395 176.600 -0.190 0.000 0.962 148 E CA -0.540 55.677 56.400 -0.305 0.000 0.784 148 E CB 0.262 29.696 29.700 -0.443 0.000 1.114 148 E HN 0.621 nan 8.360 nan 0.000 0.414 149 W N 3.436 124.661 121.300 -0.125 0.000 3.256 149 W HA 0.178 4.838 4.660 0.001 0.000 0.269 149 W C -0.185 176.417 176.519 0.139 0.000 1.310 149 W CA -0.504 56.843 57.345 0.004 0.000 1.673 149 W CB -0.752 28.695 29.460 -0.022 0.000 1.115 149 W HN 0.229 nan 8.180 nan 0.000 0.686 150 F N 0.789 120.397 119.950 -0.569 0.000 2.650 150 F HA 0.569 5.096 4.527 0.001 0.000 0.310 150 F C -1.854 173.621 175.800 -0.542 0.000 1.112 150 F CA -1.666 56.081 58.000 -0.422 0.000 0.986 150 F CB 0.667 39.302 39.000 -0.608 0.000 1.285 150 F HN -0.138 nan 8.300 nan 0.000 0.440 151 H N 4.108 123.123 119.070 -0.092 0.000 3.078 151 H HA 0.498 5.054 4.556 0.001 0.000 0.319 151 H C -0.735 174.601 175.328 0.014 0.000 0.995 151 H CA -0.872 55.092 56.048 -0.139 0.000 1.417 151 H CB 1.367 31.068 29.762 -0.101 0.000 1.598 151 H HN 0.778 nan 8.280 nan 0.000 0.515 152 L N 2.338 123.645 121.223 0.140 0.000 2.452 152 L HA 0.318 4.659 4.340 0.001 0.000 0.267 152 L C 0.204 177.149 176.870 0.126 0.000 1.188 152 L CA 0.242 55.172 54.840 0.149 0.000 0.821 152 L CB 0.830 42.972 42.059 0.140 0.000 1.102 152 L HN 0.638 nan 8.230 nan 0.000 0.470 153 Q N 1.924 121.823 119.800 0.165 0.000 2.438 153 Q HA 0.263 4.604 4.340 0.001 0.000 0.272 153 Q C -1.705 174.408 176.000 0.190 0.000 0.994 153 Q CA -0.690 55.204 55.803 0.151 0.000 0.887 153 Q CB 1.838 30.691 28.738 0.191 0.000 1.432 153 Q HN 0.580 nan 8.270 nan 0.000 0.392 154 N N 4.332 123.104 118.700 0.119 0.000 2.904 154 N HA 0.220 4.960 4.740 0.001 0.000 0.257 154 N C -2.187 173.350 175.510 0.046 0.000 1.363 154 N CA -0.824 52.287 53.050 0.101 0.000 0.856 154 N CB 1.646 40.169 38.487 0.061 0.000 1.166 154 N HN 0.454 nan 8.380 nan 0.000 0.499 155 P HA -0.090 nan 4.420 nan 0.000 0.210 155 P C -0.082 177.192 177.300 -0.042 0.000 1.191 155 P CA 1.162 64.268 63.100 0.009 0.000 0.917 155 P CB 0.211 31.896 31.700 -0.024 0.000 0.778 156 Y N -0.385 119.704 120.300 -0.352 0.000 2.567 156 Y HA 0.407 4.958 4.550 0.001 0.000 0.333 156 Y C -0.536 174.972 175.900 -0.653 0.000 1.106 156 Y CA -1.492 56.288 58.100 -0.533 0.000 1.157 156 Y CB 1.009 39.027 38.460 -0.737 0.000 1.277 156 Y HN -0.230 nan 8.280 nan 0.000 0.490 157 D N 2.412 122.122 120.400 -1.149 0.000 2.411 157 D HA 0.131 4.772 4.640 0.001 0.000 0.225 157 D C -0.684 175.301 176.300 -0.524 0.000 1.156 157 D CA 0.076 53.659 54.000 -0.695 0.000 0.874 157 D CB -0.207 40.256 40.800 -0.560 0.000 1.034 157 D HN 0.395 nan 8.370 nan 0.000 0.502 158 F N 1.918 121.895 119.950 0.045 0.000 2.692 158 F HA 0.113 4.641 4.527 0.001 0.000 0.303 158 F C 2.169 178.019 175.800 0.083 0.000 1.114 158 F CA -0.005 58.082 58.000 0.145 0.000 1.361 158 F CB -0.134 38.969 39.000 0.171 0.000 1.063 158 F HN 0.329 nan 8.300 nan 0.000 0.550 159 T N -0.671 113.970 114.554 0.144 0.000 2.904 159 T HA -0.088 4.263 4.350 0.001 0.000 0.267 159 T C 2.186 176.944 174.700 0.096 0.000 1.059 159 T CA 1.490 63.653 62.100 0.104 0.000 1.137 159 T CB -0.378 68.516 68.868 0.043 0.000 0.879 159 T HN 0.229 nan 8.240 nan 0.000 0.467 160 V N 0.305 120.265 119.914 0.077 0.000 2.325 160 V HA 0.200 4.321 4.120 0.001 0.000 0.229 160 V C 0.892 177.071 176.094 0.141 0.000 1.062 160 V CA 0.295 62.645 62.300 0.082 0.000 1.039 160 V CB -0.658 31.188 31.823 0.037 0.000 0.667 160 V HN 0.130 nan 8.190 nan 0.000 0.474 161 R N 1.335 121.958 120.500 0.205 0.000 2.419 161 R HA 0.514 4.855 4.340 0.001 0.000 0.305 161 R C -0.465 176.015 176.300 0.299 0.000 1.242 161 R CA -0.213 56.021 56.100 0.223 0.000 1.105 161 R CB 0.963 31.406 30.300 0.239 0.000 1.116 161 R HN 0.452 nan 8.270 nan 0.000 0.523 162 V N 5.719 125.752 119.914 0.199 0.000 2.540 162 V HA 0.116 4.237 4.120 0.001 0.000 0.297 162 V C -1.763 174.388 176.094 0.095 0.000 1.024 162 V CA -1.394 61.007 62.300 0.169 0.000 1.105 162 V CB 0.685 32.573 31.823 0.108 0.000 0.938 162 V HN 0.579 nan 8.190 nan 0.000 0.482 163 P HA 0.323 nan 4.420 nan 0.000 0.278 163 P C -0.570 176.808 177.300 0.131 0.000 1.266 163 P CA 0.127 63.221 63.100 -0.011 0.000 0.807 163 P CB 1.017 32.480 31.700 -0.395 0.000 1.094 164 H N -1.414 117.684 119.070 0.046 0.000 3.854 164 H HA 0.299 4.856 4.556 0.001 0.000 0.264 164 H C -1.388 174.097 175.328 0.263 0.000 1.170 164 H CA -0.108 56.003 56.048 0.106 0.000 1.167 164 H CB 0.168 29.966 29.762 0.061 0.000 1.558 164 H HN 0.267 nan 8.280 nan 0.000 0.751 165 F N 2.458 122.297 119.950 -0.185 0.000 2.915 165 F HA 0.463 4.991 4.527 0.001 0.000 0.350 165 F C -1.900 173.997 175.800 0.161 0.000 1.248 165 F CA -1.646 56.281 58.000 -0.122 0.000 1.084 165 F CB 1.170 39.913 39.000 -0.429 0.000 1.391 165 F HN 0.031 nan 8.300 nan 0.000 0.548 166 L N 6.977 128.231 121.223 0.052 0.000 2.326 166 L HA 0.593 4.934 4.340 0.001 0.000 0.278 166 L C -1.722 175.043 176.870 -0.175 0.000 1.092 166 L CA -0.246 54.563 54.840 -0.052 0.000 0.810 166 L CB 0.992 43.086 42.059 0.057 0.000 1.153 166 L HN 0.539 nan 8.230 nan 0.000 0.439 167 F N 5.356 125.123 119.950 -0.305 0.000 2.612 167 F HA 0.322 4.850 4.527 0.001 0.000 0.332 167 F C -0.986 174.748 175.800 -0.110 0.000 1.167 167 F CA -0.748 57.103 58.000 -0.249 0.000 0.970 167 F CB 0.756 39.587 39.000 -0.283 0.000 1.234 167 F HN 0.543 nan 8.300 nan 0.000 0.453 168 Y N 5.245 125.161 120.300 -0.640 0.000 2.550 168 Y HA 0.368 4.918 4.550 0.001 0.000 0.343 168 Y C 0.039 175.565 175.900 -0.623 0.000 1.245 168 Y CA 0.640 58.444 58.100 -0.493 0.000 1.462 168 Y CB 1.056 39.298 38.460 -0.363 0.000 1.340 168 Y HN 0.501 nan 8.280 nan 0.000 0.604 169 V N 1.458 120.872 119.914 -0.834 0.000 3.155 169 V HA 0.222 4.343 4.120 0.001 0.000 0.225 169 V C -0.333 175.393 176.094 -0.613 0.000 1.462 169 V CA 0.557 62.551 62.300 -0.511 0.000 1.270 169 V CB 0.552 32.103 31.823 -0.454 0.000 1.112 169 V HN 0.663 nan 8.190 nan 0.000 0.479 170 S N -0.876 114.217 115.700 -1.013 0.000 2.588 170 S HA 0.435 4.906 4.470 0.001 0.000 0.269 170 S C -2.490 171.762 174.600 -0.580 0.000 1.157 170 S CA -0.501 57.338 58.200 -0.602 0.000 0.824 170 S CB 2.052 65.162 63.200 -0.149 0.000 1.126 170 S HN -0.055 nan 8.310 nan 0.000 0.464 171 P HA -0.204 nan 4.420 nan 0.000 0.217 171 P C 1.274 178.650 177.300 0.128 0.000 1.151 171 P CA 1.405 64.597 63.100 0.154 0.000 0.849 171 P CB 0.189 31.968 31.700 0.131 0.000 0.787 172 Q N -2.451 117.398 119.800 0.083 0.000 2.402 172 Q HA 0.086 4.427 4.340 0.001 0.000 0.231 172 Q C 0.162 176.327 176.000 0.275 0.000 0.888 172 Q CA 0.448 56.333 55.803 0.136 0.000 0.938 172 Q CB -0.236 28.539 28.738 0.062 0.000 1.086 172 Q HN 0.224 nan 8.270 nan 0.000 0.543 173 F N 2.968 122.906 119.950 -0.020 0.000 2.467 173 F HA 0.609 5.137 4.527 0.001 0.000 0.336 173 F C -1.113 174.619 175.800 -0.113 0.000 1.123 173 F CA -1.303 56.687 58.000 -0.016 0.000 0.964 173 F CB 1.839 40.834 39.000 -0.008 0.000 1.136 173 F HN 0.092 nan 8.300 nan 0.000 0.447 174 S N 5.988 121.384 115.700 -0.507 0.000 2.563 174 S HA 0.609 5.080 4.470 0.001 0.000 0.279 174 S C -0.956 173.399 174.600 -0.409 0.000 1.155 174 S CA -0.555 57.289 58.200 -0.592 0.000 0.928 174 S CB 0.524 63.551 63.200 -0.289 0.000 1.107 174 S HN 1.154 nan 8.310 nan 0.000 0.462 175 V N 1.100 120.771 119.914 -0.405 0.000 3.214 175 V HA 0.909 5.030 4.120 0.001 0.000 0.306 175 V C -0.283 175.609 176.094 -0.336 0.000 1.078 175 V CA -0.465 61.648 62.300 -0.310 0.000 1.077 175 V CB 1.111 32.622 31.823 -0.521 0.000 1.121 175 V HN 0.888 nan 8.190 nan 0.000 0.468 176 V N 2.002 121.670 119.914 -0.411 0.000 2.588 176 V HA 0.524 4.645 4.120 0.001 0.000 0.304 176 V C -0.832 174.985 176.094 -0.462 0.000 1.042 176 V CA -0.222 61.897 62.300 -0.303 0.000 0.877 176 V CB 1.488 33.239 31.823 -0.120 0.000 0.996 176 V HN 0.778 nan 8.190 nan 0.000 0.425 177 F N 4.446 124.356 119.950 -0.066 0.000 2.436 177 F HA 0.625 5.152 4.527 0.001 0.000 0.340 177 F C 0.150 176.073 175.800 0.206 0.000 1.113 177 F CA -0.465 57.560 58.000 0.042 0.000 1.022 177 F CB 1.410 40.477 39.000 0.112 0.000 1.128 177 F HN 0.196 nan 8.300 nan 0.000 0.466 178 L N 3.238 124.614 121.223 0.255 0.000 2.360 178 L HA 0.329 4.670 4.340 0.001 0.000 0.271 178 L C 1.411 178.217 176.870 -0.105 0.000 1.057 178 L CA -0.452 54.458 54.840 0.118 0.000 0.803 178 L CB 1.204 43.281 42.059 0.031 0.000 1.207 178 L HN 0.664 nan 8.230 nan 0.000 0.445 179 E N 0.922 120.951 120.200 -0.285 0.000 2.160 179 E HA -0.230 4.121 4.350 0.001 0.000 0.195 179 E C 0.913 177.014 176.600 -0.831 0.000 0.991 179 E CA 1.597 57.643 56.400 -0.590 0.000 0.810 179 E CB 0.043 29.516 29.700 -0.379 0.000 0.742 179 E HN 0.764 nan 8.360 nan 0.000 0.466 180 D N -0.975 118.994 120.400 -0.718 0.000 2.347 180 D HA -0.021 4.619 4.640 0.001 0.000 0.215 180 D C 1.374 177.486 176.300 -0.314 0.000 0.976 180 D CA 1.040 54.509 54.000 -0.885 0.000 0.884 180 D CB 0.298 40.912 40.800 -0.310 0.000 0.915 180 D HN 0.246 nan 8.370 nan 0.000 0.526 181 G N -1.102 107.596 108.800 -0.169 0.000 2.296 181 G HA2 -0.083 3.878 3.960 0.001 0.000 0.188 181 G HA3 -0.083 3.878 3.960 0.001 0.000 0.188 181 G C 0.622 175.565 174.900 0.072 0.000 1.000 181 G CA -0.127 44.979 45.100 0.010 0.000 0.672 181 G HN 0.716 nan 8.290 nan 0.000 0.483 182 G N 0.318 109.134 108.800 0.027 0.000 2.467 182 G HA2 0.571 4.532 3.960 0.001 0.000 0.257 182 G HA3 0.571 4.532 3.960 0.001 0.000 0.257 182 G C 0.085 174.940 174.900 -0.075 0.000 1.227 182 G CA -0.397 44.705 45.100 0.004 0.000 0.835 182 G HN 0.736 nan 8.290 nan 0.000 0.556 183 L N 2.212 123.305 121.223 -0.217 0.000 2.276 183 L HA 0.384 4.724 4.340 0.001 0.000 0.286 183 L C -0.166 176.583 176.870 -0.201 0.000 1.024 183 L CA -0.817 53.729 54.840 -0.490 0.000 0.826 183 L CB 1.233 42.626 42.059 -1.110 0.000 1.211 183 L HN 0.297 nan 8.230 nan 0.000 0.422 184 L N 2.155 123.281 121.223 -0.163 0.000 2.454 184 L HA 0.789 5.130 4.340 0.001 0.000 0.256 184 L C 0.566 177.554 176.870 0.195 0.000 1.136 184 L CA 0.285 55.103 54.840 -0.036 0.000 0.804 184 L CB 1.652 43.606 42.059 -0.176 0.000 1.181 184 L HN 0.582 nan 8.230 nan 0.000 0.469 185 G N 1.326 110.215 108.800 0.148 0.000 2.568 185 G HA2 0.627 4.588 3.960 0.001 0.000 0.313 185 G HA3 0.627 4.588 3.960 0.001 0.000 0.313 185 G C -1.952 173.042 174.900 0.156 0.000 1.227 185 G CA -0.366 44.892 45.100 0.263 0.000 0.979 185 G HN 0.462 nan 8.290 nan 0.000 0.486 186 L N 0.640 122.056 121.223 0.322 0.000 2.628 186 L HA 0.335 4.676 4.340 0.001 0.000 0.258 186 L C -0.201 176.916 176.870 0.411 0.000 1.027 186 L CA -0.630 54.322 54.840 0.186 0.000 0.910 186 L CB 1.377 43.381 42.059 -0.091 0.000 1.157 186 L HN 0.753 nan 8.230 nan 0.000 0.452 187 K N 1.830 122.383 120.400 0.255 0.000 2.156 187 K HA 0.581 4.902 4.320 0.001 0.000 0.271 187 K C -0.542 176.139 176.600 0.136 0.000 0.995 187 K CA -0.765 55.630 56.287 0.180 0.000 0.890 187 K CB 2.179 34.641 32.500 -0.063 0.000 1.073 187 K HN 0.242 nan 8.250 nan 0.000 0.454 188 K N 3.062 123.486 120.400 0.040 0.000 2.211 188 K HA 0.136 4.457 4.320 0.001 0.000 0.275 188 K C 0.138 176.659 176.600 -0.132 0.000 1.024 188 K CA -0.610 55.534 56.287 -0.239 0.000 0.887 188 K CB 1.432 33.730 32.500 -0.337 0.000 1.084 188 K HN 0.603 nan 8.250 nan 0.000 0.463 189 V N 3.348 123.182 119.914 -0.134 0.000 2.423 189 V HA -0.142 3.979 4.120 0.001 0.000 0.233 189 V C 1.718 177.755 176.094 -0.094 0.000 1.067 189 V CA 1.262 63.504 62.300 -0.096 0.000 1.073 189 V CB -0.344 31.428 31.823 -0.085 0.000 0.715 189 V HN 0.928 nan 8.190 nan 0.000 0.485 190 D N 0.877 121.218 120.400 -0.098 0.000 2.083 190 D HA 0.030 4.671 4.640 0.001 0.000 0.225 190 D C 1.446 177.697 176.300 -0.083 0.000 0.974 190 D CA 1.765 55.715 54.000 -0.084 0.000 0.906 190 D CB -0.169 40.580 40.800 -0.085 0.000 1.028 190 D HN 0.487 nan 8.370 nan 0.000 0.446 191 G N -1.533 107.214 108.800 -0.088 0.000 3.912 191 G HA2 0.271 4.231 3.960 0.001 0.000 0.203 191 G HA3 0.271 4.231 3.960 0.001 0.000 0.203 191 G C 0.633 175.438 174.900 -0.158 0.000 1.112 191 G CA 0.231 45.268 45.100 -0.105 0.000 0.871 191 G HN 0.327 nan 8.290 nan 0.000 0.549 192 V N -0.008 119.826 119.914 -0.132 0.000 3.309 192 V HA 0.299 4.420 4.120 0.001 0.000 0.268 192 V C 0.022 176.012 176.094 -0.174 0.000 1.631 192 V CA -0.002 62.189 62.300 -0.181 0.000 1.018 192 V CB 0.290 32.049 31.823 -0.108 0.000 0.841 192 V HN 0.225 nan 8.190 nan 0.000 0.418 193 H N -0.453 118.473 119.070 -0.240 0.000 2.463 193 H HA 0.688 5.245 4.556 0.001 0.000 0.332 193 H C -1.343 173.817 175.328 -0.280 0.000 1.127 193 H CA -0.514 55.441 56.048 -0.155 0.000 1.238 193 H CB 0.902 30.617 29.762 -0.080 0.000 1.478 193 H HN 0.155 nan 8.280 nan 0.000 0.499 194 Y N 0.705 121.038 120.300 0.056 0.000 2.393 194 Y HA 0.364 4.915 4.550 0.001 0.000 0.341 194 Y C -0.056 175.829 175.900 -0.024 0.000 0.988 194 Y CA -0.715 57.380 58.100 -0.009 0.000 1.078 194 Y CB 1.704 40.093 38.460 -0.119 0.000 1.203 194 Y HN 0.575 nan 8.280 nan 0.000 0.453 195 E N 4.632 124.908 120.200 0.127 0.000 2.224 195 E HA 0.297 4.648 4.350 0.001 0.000 0.265 195 E C -2.744 173.862 176.600 0.011 0.000 0.878 195 E CA -2.553 53.874 56.400 0.045 0.000 0.759 195 E CB 1.874 31.575 29.700 0.002 0.000 1.164 195 E HN 0.243 nan 8.360 nan 0.000 0.414 196 P HA 0.009 nan 4.420 nan 0.000 0.268 196 P C -0.472 176.769 177.300 -0.099 0.000 1.282 196 P CA 0.254 63.324 63.100 -0.052 0.000 0.880 196 P CB 0.241 31.909 31.700 -0.053 0.000 0.971 197 L N 5.097 126.237 121.223 -0.139 0.000 2.389 197 L HA 0.223 4.564 4.340 0.001 0.000 0.265 197 L C 0.956 177.617 176.870 -0.349 0.000 1.167 197 L CA -0.751 53.923 54.840 -0.277 0.000 1.045 197 L CB -0.074 41.747 42.059 -0.396 0.000 1.351 197 L HN 0.249 nan 8.230 nan 0.000 0.419 198 L N 2.306 123.393 121.223 -0.227 0.000 2.525 198 L HA 0.024 4.365 4.340 0.001 0.000 0.278 198 L C -0.046 176.739 176.870 -0.141 0.000 1.218 198 L CA 0.410 55.172 54.840 -0.130 0.000 0.878 198 L CB 0.133 42.157 42.059 -0.058 0.000 1.127 198 L HN 0.249 nan 8.230 nan 0.000 0.492 199 F N 1.842 121.786 119.950 -0.010 0.000 2.378 199 F HA 0.243 4.770 4.527 0.001 0.000 0.325 199 F C 0.744 176.589 175.800 0.076 0.000 1.097 199 F CA -1.136 56.895 58.000 0.051 0.000 1.079 199 F CB 0.401 39.302 39.000 -0.165 0.000 1.240 199 F HN 0.507 nan 8.300 nan 0.000 0.519 200 N N 1.468 120.397 118.700 0.381 0.000 2.475 200 N HA 0.029 4.770 4.740 0.001 0.000 0.267 200 N C -1.328 174.419 175.510 0.395 0.000 1.169 200 N CA -0.050 53.191 53.050 0.318 0.000 0.947 200 N CB 1.463 40.125 38.487 0.291 0.000 1.061 200 N HN 0.639 nan 8.380 nan 0.000 0.466 201 D N 1.657 122.257 120.400 0.333 0.000 2.736 201 D HA 0.226 4.866 4.640 0.001 0.000 0.243 201 D C -0.741 175.794 176.300 0.392 0.000 1.304 201 D CA -0.429 53.791 54.000 0.368 0.000 0.934 201 D CB 0.917 41.909 40.800 0.321 0.000 1.382 201 D HN 0.484 nan 8.370 nan 0.000 0.571 202 N N 1.353 120.171 118.700 0.197 0.000 2.177 202 N HA 0.020 4.760 4.740 0.001 0.000 0.218 202 N C 0.788 176.125 175.510 -0.288 0.000 1.182 202 N CA -0.116 52.861 53.050 -0.123 0.000 0.882 202 N CB 0.862 39.286 38.487 -0.106 0.000 1.052 202 N HN 0.181 nan 8.380 nan 0.000 0.519 203 S N 0.541 116.214 115.700 -0.045 0.000 2.547 203 S HA -0.108 4.362 4.470 0.001 0.000 0.235 203 S C 1.557 176.109 174.600 -0.080 0.000 0.980 203 S CA 0.381 58.535 58.200 -0.075 0.000 0.941 203 S CB -0.351 62.856 63.200 0.013 0.000 0.763 203 S HN 0.599 nan 8.310 nan 0.000 0.532 204 Y N 0.354 120.663 120.300 0.014 0.000 2.475 204 Y HA 0.295 4.846 4.550 0.002 0.000 0.289 204 Y C 1.428 177.333 175.900 0.008 0.000 1.121 204 Y CA 0.131 58.245 58.100 0.022 0.000 1.257 204 Y CB -0.761 37.731 38.460 0.054 0.000 1.026 204 Y HN 0.086 nan 8.280 nan 0.000 0.555 205 L N 0.874 121.706 121.223 -0.652 0.000 2.549 205 L HA -0.114 4.226 4.340 0.001 0.000 0.230 205 L C 1.733 178.515 176.870 -0.147 0.000 1.162 205 L CA 1.106 55.717 54.840 -0.382 0.000 0.834 205 L CB -0.461 41.317 42.059 -0.467 0.000 0.947 205 L HN 0.267 nan 8.230 nan 0.000 0.452 206 K N -0.213 120.094 120.400 -0.155 0.000 2.555 206 K HA -0.103 4.218 4.320 0.001 0.000 0.193 206 K C 2.061 178.665 176.600 0.006 0.000 1.032 206 K CA 1.003 57.202 56.287 -0.147 0.000 1.004 206 K CB -0.273 31.990 32.500 -0.395 0.000 0.804 206 K HN 0.567 nan 8.250 nan 0.000 0.496 207 C N -0.735 118.602 119.300 0.060 0.000 2.456 207 C HA 0.127 4.588 4.460 0.001 0.000 0.279 207 C C 1.967 177.025 174.990 0.113 0.000 1.427 207 C CA -0.275 58.830 59.018 0.146 0.000 1.778 207 C CB -1.068 26.766 27.740 0.156 0.000 1.842 207 C HN 0.325 nan 8.230 nan 0.000 0.531 208 L N 1.501 122.768 121.223 0.074 0.000 2.551 208 L HA 0.035 4.376 4.340 0.001 0.000 0.228 208 L C 1.017 177.911 176.870 0.040 0.000 1.153 208 L CA 0.532 55.400 54.840 0.047 0.000 0.851 208 L CB -0.828 41.247 42.059 0.026 0.000 0.959 208 L HN 0.389 nan 8.230 nan 0.000 0.451 209 T N -0.403 114.206 114.554 0.091 0.000 2.909 209 T HA 0.151 4.502 4.350 0.001 0.000 0.286 209 T C 1.253 175.903 174.700 -0.084 0.000 1.002 209 T CA -0.671 61.473 62.100 0.073 0.000 1.074 209 T CB 1.472 70.534 68.868 0.323 0.000 0.984 209 T HN 0.305 nan 8.240 nan 0.000 0.495 210 R N 0.687 120.936 120.500 -0.417 0.000 2.357 210 R HA 0.027 4.367 4.340 0.001 0.000 0.202 210 R C 0.171 176.052 176.300 -0.698 0.000 1.047 210 R CA 1.174 56.938 56.100 -0.561 0.000 1.034 210 R CB -0.486 29.403 30.300 -0.684 0.000 0.875 210 R HN 0.466 nan 8.270 nan 0.000 0.473 211 F N -0.199 119.718 119.950 -0.055 0.000 2.721 211 F HA 0.392 4.920 4.527 0.002 0.000 0.301 211 F C -0.212 175.118 175.800 -0.784 0.000 1.096 211 F CA -0.681 57.082 58.000 -0.395 0.000 1.308 211 F CB 0.428 39.157 39.000 -0.451 0.000 1.086 211 F HN -0.164 nan 8.300 nan 0.000 0.587 212 F N -1.263 118.733 119.950 0.077 0.000 2.596 212 F HA 0.527 5.055 4.527 0.001 0.000 0.311 212 F C -0.195 175.613 175.800 0.013 0.000 1.116 212 F CA -1.291 56.738 58.000 0.049 0.000 0.957 212 F CB 1.645 40.687 39.000 0.070 0.000 1.250 212 F HN -0.483 nan 8.300 nan 0.000 0.444 213 S N 1.778 117.572 115.700 0.157 0.000 2.519 213 S HA 0.421 4.892 4.470 0.001 0.000 0.309 213 S C 0.829 175.476 174.600 0.079 0.000 1.100 213 S CA -0.964 57.287 58.200 0.086 0.000 1.059 213 S CB 2.008 65.222 63.200 0.022 0.000 1.008 213 S HN 0.672 nan 8.310 nan 0.000 0.478 214 R N 1.521 122.082 120.500 0.101 0.000 2.117 214 R HA -0.119 4.221 4.340 0.001 0.000 0.243 214 R C 2.047 178.387 176.300 0.068 0.000 1.143 214 R CA 1.797 57.967 56.100 0.116 0.000 0.968 214 R CB -0.359 30.015 30.300 0.123 0.000 0.863 214 R HN 0.729 nan 8.270 nan 0.000 0.444 215 S N -0.117 115.606 115.700 0.038 0.000 2.603 215 S HA -0.001 4.469 4.470 0.001 0.000 0.229 215 S C 0.821 175.397 174.600 -0.040 0.000 0.972 215 S CA -0.175 58.034 58.200 0.015 0.000 0.935 215 S CB 0.148 63.358 63.200 0.017 0.000 0.769 215 S HN 0.090 nan 8.310 nan 0.000 0.536 216 S N 0.998 116.641 115.700 -0.095 0.000 2.565 216 S HA 0.301 4.772 4.470 0.001 0.000 0.274 216 S C 0.921 175.316 174.600 -0.342 0.000 1.309 216 S CA -0.722 57.380 58.200 -0.164 0.000 1.043 216 S CB 0.747 63.867 63.200 -0.133 0.000 0.939 216 S HN 0.459 nan 8.310 nan 0.000 0.504 217 K N 2.118 122.377 120.400 -0.235 0.000 2.366 217 K HA 0.039 4.360 4.320 0.001 0.000 0.198 217 K C 1.249 177.674 176.600 -0.293 0.000 1.044 217 K CA 0.329 56.481 56.287 -0.225 0.000 0.973 217 K CB 0.007 32.463 32.500 -0.073 0.000 0.767 217 K HN 0.451 nan 8.250 nan 0.000 0.475 218 S N -0.418 115.124 115.700 -0.263 0.000 2.496 218 S HA 0.065 4.536 4.470 0.001 0.000 0.260 218 S C -0.056 174.417 174.600 -0.212 0.000 1.122 218 S CA -0.247 57.854 58.200 -0.165 0.000 1.019 218 S CB 0.407 63.557 63.200 -0.083 0.000 1.226 218 S HN 0.268 nan 8.310 nan 0.000 0.502 219 D N -1.126 119.264 120.400 -0.017 0.000 2.531 219 D HA -0.195 4.446 4.640 0.001 0.000 0.176 219 D C -0.297 176.137 176.300 0.225 0.000 1.217 219 D CA 1.665 55.771 54.000 0.178 0.000 1.125 219 D CB -1.439 39.488 40.800 0.213 0.000 1.148 219 D HN 0.637 nan 8.370 nan 0.000 0.430 220 Y N 0.661 121.021 120.300 0.100 0.000 2.712 220 Y HA 0.093 4.644 4.550 0.001 0.000 0.333 220 Y C 1.220 177.144 175.900 0.039 0.000 1.225 220 Y CA 0.058 58.191 58.100 0.055 0.000 1.499 220 Y CB 0.440 38.909 38.460 0.016 0.000 1.288 220 Y HN -0.174 nan 8.280 nan 0.000 0.575 221 D N 2.121 122.638 120.400 0.196 0.000 2.886 221 D HA 0.109 4.750 4.640 0.001 0.000 0.355 221 D C -0.701 175.649 176.300 0.083 0.000 1.274 221 D CA -0.359 53.708 54.000 0.110 0.000 0.836 221 D CB 0.003 40.846 40.800 0.071 0.000 1.109 221 D HN 0.407 nan 8.370 nan 0.000 0.488 222 S N -0.972 114.757 115.700 0.048 0.000 2.585 222 S HA 0.301 4.771 4.470 0.001 0.000 0.273 222 S C 0.606 175.264 174.600 0.098 0.000 1.339 222 S CA -0.869 57.353 58.200 0.037 0.000 1.028 222 S CB 1.477 64.579 63.200 -0.165 0.000 0.906 222 S HN 0.061 nan 8.310 nan 0.000 0.528 223 V N 2.343 122.341 119.914 0.141 0.000 2.740 223 V HA 0.111 4.232 4.120 0.001 0.000 0.303 223 V C 1.127 177.195 176.094 -0.044 0.000 1.054 223 V CA 0.263 62.547 62.300 -0.026 0.000 1.106 223 V CB 0.451 32.039 31.823 -0.392 0.000 0.957 223 V HN 0.932 nan 8.190 nan 0.000 0.486 224 I N 0.572 121.062 120.570 -0.133 0.000 4.327 224 I HA 0.466 4.636 4.170 0.001 0.000 0.331 224 I C 0.479 176.441 176.117 -0.258 0.000 1.348 224 I CA 0.150 61.332 61.300 -0.197 0.000 1.152 224 I CB 0.739 38.696 38.000 -0.071 0.000 1.151 224 I HN 0.446 nan 8.210 nan 0.000 0.410 225 S N 0.289 115.877 115.700 -0.187 0.000 2.547 225 S HA 0.603 5.074 4.470 0.001 0.000 0.270 225 S C -1.538 173.043 174.600 -0.032 0.000 1.150 225 S CA -0.634 57.519 58.200 -0.078 0.000 0.850 225 S CB 2.344 65.571 63.200 0.045 0.000 1.118 225 S HN 0.346 nan 8.310 nan 0.000 0.461 226 C N 3.027 122.372 119.300 0.076 0.000 3.006 226 C HA 0.775 5.236 4.460 0.001 0.000 0.359 226 C C -2.224 172.737 174.990 -0.047 0.000 1.103 226 C CA -0.573 58.355 59.018 -0.149 0.000 1.286 226 C CB 1.055 28.480 27.740 -0.525 0.000 1.694 226 C HN 0.798 nan 8.230 nan 0.000 0.511 227 K N 4.259 124.630 120.400 -0.049 0.000 2.507 227 K HA 0.477 4.798 4.320 0.001 0.000 0.251 227 K C -1.182 175.570 176.600 0.253 0.000 0.943 227 K CA -0.531 55.881 56.287 0.208 0.000 0.794 227 K CB 1.964 34.579 32.500 0.192 0.000 1.188 227 K HN 0.720 nan 8.250 nan 0.000 0.428 228 L N 4.149 125.672 121.223 0.500 0.000 2.313 228 L HA 0.385 4.726 4.340 0.001 0.000 0.282 228 L C -0.846 176.276 176.870 0.420 0.000 1.092 228 L CA -0.077 55.022 54.840 0.431 0.000 0.831 228 L CB -0.042 42.300 42.059 0.473 0.000 1.159 228 L HN 0.452 nan 8.230 nan 0.000 0.442 229 F N 4.420 124.520 119.950 0.251 0.000 2.450 229 F HA 0.363 4.891 4.527 0.001 0.000 0.332 229 F C 0.544 176.556 175.800 0.355 0.000 1.093 229 F CA -0.515 57.665 58.000 0.300 0.000 1.003 229 F CB 0.539 39.712 39.000 0.288 0.000 1.151 229 F HN 0.697 nan 8.300 nan 0.000 0.474 230 H N 4.143 122.842 119.070 -0.619 0.000 2.458 230 H HA -0.197 4.360 4.556 0.001 0.000 0.322 230 H C 0.920 176.129 175.328 -0.199 0.000 1.038 230 H CA 1.130 56.895 56.048 -0.472 0.000 1.120 230 H CB -0.966 28.444 29.762 -0.586 0.000 1.489 230 H HN 0.644 nan 8.280 nan 0.000 0.399 231 E N -2.598 117.591 120.200 -0.018 0.000 3.449 231 E HA -0.387 3.963 4.350 0.001 0.000 0.289 231 E C 1.754 178.344 176.600 -0.016 0.000 0.870 231 E CA 1.744 58.143 56.400 -0.002 0.000 0.946 231 E CB -0.560 29.120 29.700 -0.033 0.000 1.476 231 E HN 0.825 nan 8.360 nan 0.000 0.466 232 R N -0.783 119.664 120.500 -0.088 0.000 2.196 232 R HA 0.050 4.391 4.340 0.001 0.000 0.186 232 R C 0.246 176.438 176.300 -0.180 0.000 1.163 232 R CA 0.101 56.059 56.100 -0.238 0.000 1.146 232 R CB 0.371 30.325 30.300 -0.577 0.000 1.113 232 R HN -0.006 nan 8.270 nan 0.000 0.513 233 Y N 1.492 121.927 120.300 0.226 0.000 2.359 233 Y HA 0.256 4.807 4.550 0.002 0.000 0.330 233 Y C -0.087 175.959 175.900 0.244 0.000 1.143 233 Y CA -0.571 57.679 58.100 0.250 0.000 1.318 233 Y CB 0.682 39.327 38.460 0.308 0.000 1.234 233 Y HN 0.090 nan 8.280 nan 0.000 0.522 234 L N 5.466 126.897 121.223 0.347 0.000 2.371 234 L HA 0.473 4.813 4.340 0.001 0.000 0.262 234 L C -1.129 175.863 176.870 0.203 0.000 1.054 234 L CA -0.629 54.343 54.840 0.219 0.000 0.924 234 L CB -0.436 41.701 42.059 0.130 0.000 1.295 234 L HN 0.426 nan 8.230 nan 0.000 0.441 235 I N 4.868 125.523 120.570 0.140 0.000 2.598 235 I HA 0.220 4.390 4.170 0.001 0.000 0.284 235 I C 0.384 176.502 176.117 0.002 0.000 1.140 235 I CA 0.363 61.693 61.300 0.050 0.000 1.420 235 I CB 0.595 38.576 38.000 -0.032 0.000 1.387 235 I HN 0.381 nan 8.210 nan 0.000 0.553 236 V N 5.314 125.243 119.914 0.025 0.000 3.001 236 V HA 0.781 4.902 4.120 0.001 0.000 0.314 236 V C -1.147 174.933 176.094 -0.024 0.000 1.099 236 V CA -1.049 61.237 62.300 -0.023 0.000 0.989 236 V CB 2.107 33.959 31.823 0.048 0.000 1.040 236 V HN 0.557 nan 8.190 nan 0.000 0.434 237 L N 3.717 124.909 121.223 -0.052 0.000 2.376 237 L HA 0.816 5.157 4.340 0.001 0.000 0.275 237 L C 0.353 177.213 176.870 -0.016 0.000 0.987 237 L CA 0.357 55.180 54.840 -0.028 0.000 0.828 237 L CB 1.774 43.812 42.059 -0.034 0.000 1.249 237 L HN 1.179 nan 8.230 nan 0.000 0.409 238 T N 0.518 115.096 114.554 0.040 0.000 2.881 238 T HA 0.290 4.641 4.350 0.001 0.000 0.278 238 T C 0.797 175.520 174.700 0.039 0.000 0.982 238 T CA -0.456 61.680 62.100 0.060 0.000 0.989 238 T CB 0.776 69.717 68.868 0.122 0.000 1.058 238 T HN 0.696 nan 8.240 nan 0.000 0.529 239 Q N 0.284 120.105 119.800 0.035 0.000 2.364 239 Q HA -0.054 4.286 4.340 0.001 0.000 0.209 239 Q C 0.913 176.936 176.000 0.039 0.000 0.977 239 Q CA 0.858 56.662 55.803 0.001 0.000 0.885 239 Q CB -0.155 28.583 28.738 -0.000 0.000 0.941 239 Q HN 0.533 nan 8.270 nan 0.000 0.464 240 N N -0.272 118.502 118.700 0.122 0.000 2.251 240 N HA 0.101 4.841 4.740 0.001 0.000 0.217 240 N C -0.458 175.271 175.510 0.365 0.000 1.124 240 N CA 0.063 53.240 53.050 0.211 0.000 0.843 240 N CB 0.400 39.027 38.487 0.233 0.000 1.024 240 N HN 0.132 nan 8.380 nan 0.000 0.501 241 C N 1.979 121.410 119.300 0.218 0.000 4.167 241 C HA -0.173 4.287 4.460 0.001 0.000 0.302 241 C C 0.153 175.121 174.990 -0.037 0.000 1.384 241 C CA 0.068 59.114 59.018 0.047 0.000 2.041 241 C CB -2.716 24.987 27.740 -0.061 0.000 1.303 241 C HN 0.448 nan 8.230 nan 0.000 0.718 242 H N -0.394 118.709 119.070 0.054 0.000 2.467 242 H HA 0.423 4.980 4.556 0.001 0.000 0.326 242 H C 0.046 175.391 175.328 0.028 0.000 1.094 242 H CA -0.310 55.769 56.048 0.050 0.000 1.253 242 H CB 1.398 31.187 29.762 0.045 0.000 1.439 242 H HN 0.330 nan 8.280 nan 0.000 0.479 243 L N 5.318 126.624 121.223 0.138 0.000 2.397 243 L HA 0.180 4.521 4.340 0.001 0.000 0.263 243 L C -0.080 176.866 176.870 0.126 0.000 1.136 243 L CA -0.264 54.612 54.840 0.060 0.000 1.019 243 L CB -0.404 41.595 42.059 -0.099 0.000 1.352 243 L HN 0.353 nan 8.230 nan 0.000 0.420 244 K N 4.932 125.374 120.400 0.070 0.000 2.312 244 K HA 0.389 4.710 4.320 0.001 0.000 0.287 244 K C -0.619 175.931 176.600 -0.083 0.000 1.062 244 K CA -0.082 56.177 56.287 -0.048 0.000 0.934 244 K CB 1.106 33.563 32.500 -0.073 0.000 1.027 244 K HN 0.471 nan 8.250 nan 0.000 0.478 245 I N 3.296 123.782 120.570 -0.140 0.000 2.321 245 I HA 0.233 4.404 4.170 0.001 0.000 0.291 245 I C -0.637 175.393 176.117 -0.144 0.000 0.998 245 I CA -0.783 60.488 61.300 -0.048 0.000 1.227 245 I CB 0.715 38.732 38.000 0.028 0.000 1.368 245 I HN 0.419 nan 8.210 nan 0.000 0.466 246 W N 4.931 126.290 121.300 0.098 0.000 2.469 246 W HA 0.313 4.974 4.660 0.002 0.000 0.320 246 W C 0.083 176.712 176.519 0.184 0.000 1.086 246 W CA -0.385 57.019 57.345 0.099 0.000 1.211 246 W CB 0.920 30.372 29.460 -0.013 0.000 1.298 246 W HN 0.324 nan 8.180 nan 0.000 0.525 247 D N 3.298 123.958 120.400 0.433 0.000 2.373 247 D HA 0.182 4.822 4.640 0.001 0.000 0.227 247 D C 0.508 176.930 176.300 0.204 0.000 1.091 247 D CA -0.171 54.036 54.000 0.346 0.000 0.840 247 D CB 1.291 42.299 40.800 0.347 0.000 1.060 247 D HN 0.437 nan 8.370 nan 0.000 0.502 248 L N 2.755 124.001 121.223 0.039 0.000 2.610 248 L HA -0.012 4.329 4.340 0.001 0.000 0.232 248 L C 1.862 178.667 176.870 -0.108 0.000 1.149 248 L CA 0.418 55.110 54.840 -0.247 0.000 0.872 248 L CB -0.029 41.951 42.059 -0.132 0.000 0.992 248 L HN 0.330 nan 8.230 nan 0.000 0.447 249 T N -1.746 112.853 114.554 0.076 0.000 3.054 249 T HA -0.004 4.347 4.350 0.001 0.000 0.259 249 T C 1.849 176.708 174.700 0.265 0.000 1.092 249 T CA 0.978 63.172 62.100 0.155 0.000 1.121 249 T CB 0.284 69.205 68.868 0.087 0.000 0.912 249 T HN 0.259 nan 8.240 nan 0.000 0.489 250 S N -0.033 115.850 115.700 0.305 0.000 2.554 250 S HA 0.285 4.756 4.470 0.001 0.000 0.227 250 S C 0.312 175.221 174.600 0.514 0.000 1.050 250 S CA -0.491 57.908 58.200 0.331 0.000 0.927 250 S CB 0.169 63.519 63.200 0.250 0.000 0.859 250 S HN 0.369 nan 8.310 nan 0.000 0.494 251 F N 2.221 122.332 119.950 0.268 0.000 3.091 251 F HA -0.196 4.332 4.527 0.001 0.000 0.288 251 F C 0.055 176.180 175.800 0.542 0.000 0.907 251 F CA 0.545 58.789 58.000 0.406 0.000 1.028 251 F CB -2.254 36.787 39.000 0.068 0.000 1.022 251 F HN 0.040 nan 8.300 nan 0.000 0.665 252 T N 0.805 115.725 114.554 0.609 0.000 2.841 252 T HA 0.574 4.925 4.350 0.001 0.000 0.283 252 T C -0.375 174.498 174.700 0.288 0.000 1.000 252 T CA -0.761 61.627 62.100 0.480 0.000 0.977 252 T CB 2.021 71.052 68.868 0.270 0.000 0.979 252 T HN 0.142 nan 8.240 nan 0.000 0.446 253 L N 4.636 125.784 121.223 -0.126 0.000 2.500 253 L HA 0.191 4.532 4.340 0.001 0.000 0.272 253 L C 0.588 177.258 176.870 -0.333 0.000 1.149 253 L CA 0.308 54.654 54.840 -0.824 0.000 0.897 253 L CB -0.322 41.128 42.059 -1.016 0.000 1.178 253 L HN 0.601 nan 8.230 nan 0.000 0.473 254 I N 2.964 123.381 120.570 -0.256 0.000 3.265 254 I HA 0.175 4.346 4.170 0.001 0.000 0.282 254 I C 0.700 176.722 176.117 -0.159 0.000 1.207 254 I CA 0.587 61.819 61.300 -0.113 0.000 1.449 254 I CB -0.562 37.442 38.000 0.006 0.000 1.121 254 I HN 0.600 nan 8.210 nan 0.000 0.442 255 Q N 0.194 119.861 119.800 -0.221 0.000 2.553 255 Q HA 0.399 4.740 4.340 0.001 0.000 0.293 255 Q C -1.313 174.521 176.000 -0.277 0.000 1.038 255 Q CA -0.381 55.269 55.803 -0.254 0.000 0.777 255 Q CB 3.063 31.759 28.738 -0.071 0.000 1.487 255 Q HN -0.043 nan 8.270 nan 0.000 0.426 256 D N 0.738 120.922 120.400 -0.360 0.000 2.474 256 D HA 0.228 4.868 4.640 0.001 0.000 0.234 256 D C -1.635 174.587 176.300 -0.129 0.000 1.323 256 D CA -0.023 53.875 54.000 -0.169 0.000 0.915 256 D CB -0.135 40.562 40.800 -0.172 0.000 1.487 256 D HN 0.310 nan 8.370 nan 0.000 0.524 257 Y N 0.586 120.920 120.300 0.057 0.000 2.354 257 Y HA 0.424 4.975 4.550 0.001 0.000 0.322 257 Y C 0.885 176.822 175.900 0.063 0.000 1.253 257 Y CA -0.783 57.359 58.100 0.070 0.000 1.272 257 Y CB 1.023 39.546 38.460 0.105 0.000 1.255 257 Y HN 0.100 nan 8.280 nan 0.000 0.500 258 D N 2.163 122.639 120.400 0.127 0.000 2.477 258 D HA 0.170 4.810 4.640 0.001 0.000 0.239 258 D C 0.668 176.897 176.300 -0.117 0.000 1.102 258 D CA -0.282 53.616 54.000 -0.171 0.000 0.901 258 D CB 0.494 41.221 40.800 -0.122 0.000 1.026 258 D HN 0.466 nan 8.370 nan 0.000 0.515 259 M N 2.077 121.604 119.600 -0.122 0.000 2.143 259 M HA -0.182 4.299 4.480 0.001 0.000 0.258 259 M C 2.045 178.253 176.300 -0.152 0.000 1.071 259 M CA 1.317 56.564 55.300 -0.089 0.000 1.088 259 M CB -0.988 31.548 32.600 -0.107 0.000 1.360 259 M HN 0.445 nan 8.290 nan 0.000 0.404 260 V N -1.306 118.475 119.914 -0.221 0.000 2.379 260 V HA -0.140 3.981 4.120 0.001 0.000 0.245 260 V C 2.524 178.518 176.094 -0.167 0.000 1.044 260 V CA 1.867 64.020 62.300 -0.244 0.000 1.036 260 V CB -1.587 30.045 31.823 -0.318 0.000 0.664 260 V HN 0.541 nan 8.190 nan 0.000 0.453 261 S N 0.882 116.504 115.700 -0.130 0.000 2.407 261 S HA -0.391 4.080 4.470 0.001 0.000 0.235 261 S C 1.963 176.480 174.600 -0.139 0.000 1.036 261 S CA 2.215 60.353 58.200 -0.104 0.000 1.013 261 S CB -0.893 62.261 63.200 -0.077 0.000 0.820 261 S HN 0.805 nan 8.310 nan 0.000 0.476 262 Q N 1.531 121.208 119.800 -0.205 0.000 2.079 262 Q HA 0.009 4.350 4.340 0.001 0.000 0.200 262 Q C 1.681 177.538 176.000 -0.238 0.000 0.974 262 Q CA 1.189 56.803 55.803 -0.315 0.000 0.840 262 Q CB -0.303 28.076 28.738 -0.599 0.000 0.898 262 Q HN 0.821 nan 8.270 nan 0.000 0.430 263 S N 0.776 116.377 115.700 -0.164 0.000 2.661 263 S HA 0.069 4.540 4.470 0.001 0.000 0.265 263 S C -0.073 174.485 174.600 -0.070 0.000 1.225 263 S CA -0.992 57.157 58.200 -0.085 0.000 0.986 263 S CB 0.577 63.744 63.200 -0.056 0.000 1.008 263 S HN 0.015 nan 8.310 nan 0.000 0.565 264 D N 1.957 122.335 120.400 -0.036 0.000 2.426 264 D HA 0.049 4.690 4.640 0.001 0.000 0.261 264 D C -0.125 176.157 176.300 -0.030 0.000 1.245 264 D CA 0.544 54.529 54.000 -0.025 0.000 0.917 264 D CB 0.373 41.170 40.800 -0.005 0.000 1.123 264 D HN 0.510 nan 8.370 nan 0.000 0.508 265 S N 2.806 118.489 115.700 -0.028 0.000 2.560 265 S HA -0.045 4.426 4.470 0.001 0.000 0.323 265 S C -0.227 174.375 174.600 0.004 0.000 1.191 265 S CA -0.564 57.626 58.200 -0.017 0.000 1.231 265 S CB -0.093 63.099 63.200 -0.014 0.000 1.224 265 S HN 0.153 nan 8.310 nan 0.000 0.545 266 D N 6.782 127.191 120.400 0.014 0.000 2.380 266 D HA 0.217 4.858 4.640 0.001 0.000 0.230 266 D C -1.336 175.000 176.300 0.060 0.000 1.154 266 D CA -1.529 52.492 54.000 0.035 0.000 0.859 266 D CB 1.655 42.478 40.800 0.039 0.000 1.045 266 D HN 0.362 nan 8.370 nan 0.000 0.495 267 P HA -0.183 nan 4.420 nan 0.000 0.216 267 P C 1.604 178.952 177.300 0.080 0.000 1.153 267 P CA 0.948 64.079 63.100 0.053 0.000 0.848 267 P CB 0.258 31.976 31.700 0.029 0.000 0.787 268 S N -1.114 114.631 115.700 0.075 0.000 2.489 268 S HA -0.256 4.215 4.470 0.001 0.000 0.261 268 S C 0.774 175.488 174.600 0.191 0.000 1.059 268 S CA 1.545 59.801 58.200 0.093 0.000 1.372 268 S CB -1.195 62.053 63.200 0.080 0.000 1.253 268 S HN 0.274 nan 8.310 nan 0.000 0.432 269 H N -0.169 118.934 119.070 0.055 0.000 3.026 269 H HA 0.557 5.114 4.556 0.001 0.000 0.352 269 H C -1.709 173.714 175.328 0.158 0.000 1.090 269 H CA -1.105 54.990 56.048 0.078 0.000 1.268 269 H CB 1.396 31.187 29.762 0.048 0.000 1.816 269 H HN 0.494 nan 8.280 nan 0.000 0.518 270 F N 5.664 125.404 119.950 -0.348 0.000 2.499 270 F HA 0.410 4.938 4.527 0.002 0.000 0.333 270 F C -0.523 174.976 175.800 -0.502 0.000 1.138 270 F CA -1.101 56.721 58.000 -0.297 0.000 0.945 270 F CB 0.917 39.821 39.000 -0.159 0.000 1.181 270 F HN 0.474 nan 8.300 nan 0.000 0.435 271 R N 7.391 127.958 120.500 0.112 0.000 2.441 271 R HA 0.080 4.420 4.340 0.001 0.000 0.300 271 R C -0.201 176.097 176.300 -0.003 0.000 1.284 271 R CA -0.445 55.604 56.100 -0.085 0.000 1.069 271 R CB 0.257 30.557 30.300 -0.000 0.000 1.087 271 R HN 0.718 nan 8.270 nan 0.000 0.519 272 K N 2.961 123.159 120.400 -0.336 0.000 2.402 272 K HA 0.029 4.349 4.320 0.001 0.000 0.279 272 K C -0.286 176.253 176.600 -0.101 0.000 1.082 272 K CA -0.474 55.628 56.287 -0.309 0.000 1.080 272 K CB 0.662 32.943 32.500 -0.365 0.000 0.899 272 K HN 0.148 nan 8.250 nan 0.000 0.469 273 V N 3.314 123.189 119.914 -0.064 0.000 2.621 273 V HA -0.116 4.005 4.120 0.001 0.000 0.300 273 V C 1.081 177.136 176.094 -0.065 0.000 1.031 273 V CA 0.680 62.903 62.300 -0.129 0.000 1.210 273 V CB -0.319 31.300 31.823 -0.341 0.000 0.864 273 V HN 0.860 nan 8.190 nan 0.000 0.477 274 E N 3.197 123.385 120.200 -0.020 0.000 2.370 274 E HA 0.525 4.876 4.350 0.001 0.000 0.194 274 E C 0.142 176.753 176.600 0.019 0.000 1.057 274 E CA 0.578 56.981 56.400 0.006 0.000 1.011 274 E CB 0.245 29.957 29.700 0.020 0.000 1.132 274 E HN 0.907 nan 8.360 nan 0.000 0.450 275 A N -0.925 121.902 122.820 0.011 0.000 2.585 275 A HA 0.367 4.688 4.320 0.001 0.000 0.299 275 A C -1.033 176.508 177.584 -0.072 0.000 1.047 275 A CA -0.749 51.276 52.037 -0.020 0.000 0.723 275 A CB 0.626 19.636 19.000 0.016 0.000 1.275 275 A HN -0.035 nan 8.150 nan 0.000 0.408 276 V N 1.463 121.182 119.914 -0.325 0.000 2.599 276 V HA 0.510 4.630 4.120 0.001 0.000 0.300 276 V C 1.105 176.885 176.094 -0.523 0.000 1.034 276 V CA 1.221 63.166 62.300 -0.591 0.000 1.115 276 V CB 0.407 31.503 31.823 -1.212 0.000 0.934 276 V HN 1.688 nan 8.190 nan 0.000 0.485 277 G N 3.323 111.989 108.800 -0.224 0.000 2.682 277 G HA2 0.549 4.510 3.960 0.001 0.000 0.303 277 G HA3 0.549 4.510 3.960 0.001 0.000 0.303 277 G C -1.068 173.568 174.900 -0.439 0.000 1.341 277 G CA -0.580 44.342 45.100 -0.296 0.000 0.784 277 G HN 0.456 nan 8.290 nan 0.000 0.497 278 E N 1.006 120.892 120.200 -0.524 0.000 1.932 278 E HA 0.243 4.593 4.350 0.001 0.000 0.259 278 E C -0.564 175.757 176.600 -0.465 0.000 1.099 278 E CA -0.315 55.888 56.400 -0.328 0.000 0.970 278 E CB 0.446 30.055 29.700 -0.153 0.000 1.143 278 E HN 0.483 nan 8.360 nan 0.000 0.441 279 Y N 1.033 121.318 120.300 -0.025 0.000 2.457 279 Y HA 0.129 4.680 4.550 0.001 0.000 0.263 279 Y C 0.367 176.251 175.900 -0.026 0.000 1.164 279 Y CA -0.363 57.712 58.100 -0.043 0.000 1.274 279 Y CB 0.281 38.702 38.460 -0.065 0.000 1.097 279 Y HN 0.274 nan 8.280 nan 0.000 0.523 280 L N -2.580 118.695 121.223 0.087 0.000 2.724 280 L HA 0.814 5.155 4.340 0.001 0.000 0.258 280 L C -0.650 176.269 176.870 0.083 0.000 0.967 280 L CA -1.533 53.355 54.840 0.080 0.000 0.891 280 L CB 1.707 43.791 42.059 0.042 0.000 1.456 280 L HN -0.224 nan 8.230 nan 0.000 0.416 281 S N 1.239 116.993 115.700 0.090 0.000 2.537 281 S HA 0.887 5.358 4.470 0.001 0.000 0.271 281 S C -1.174 173.496 174.600 0.117 0.000 1.148 281 S CA -0.604 57.663 58.200 0.111 0.000 0.868 281 S CB 1.420 64.683 63.200 0.104 0.000 1.115 281 S HN 1.712 nan 8.310 nan 0.000 0.461 282 L N 1.080 122.395 121.223 0.153 0.000 2.354 282 L HA 0.777 5.118 4.340 0.001 0.000 0.269 282 L C -0.130 176.900 176.870 0.265 0.000 1.005 282 L CA -1.024 53.922 54.840 0.178 0.000 0.819 282 L CB 1.260 43.411 42.059 0.153 0.000 1.311 282 L HN 0.769 nan 8.230 nan 0.000 0.423 283 Y N 2.086 122.452 120.300 0.111 0.000 2.762 283 Y HA 0.303 4.854 4.550 0.001 0.000 0.218 283 Y C 1.527 177.522 175.900 0.159 0.000 0.960 283 Y CA 0.525 58.687 58.100 0.104 0.000 1.070 283 Y CB -0.055 38.439 38.460 0.056 0.000 1.045 283 Y HN 0.754 nan 8.280 nan 0.000 0.466 284 N N 0.633 119.274 118.700 -0.098 0.000 2.187 284 N HA -0.107 4.634 4.740 0.001 0.000 0.191 284 N C 0.725 176.391 175.510 0.261 0.000 1.057 284 N CA 1.508 54.525 53.050 -0.056 0.000 0.913 284 N CB -0.736 37.696 38.487 -0.092 0.000 1.089 284 N HN 0.605 nan 8.380 nan 0.000 0.472 285 N N -0.067 118.782 118.700 0.248 0.000 2.200 285 N HA 0.062 4.803 4.740 0.001 0.000 0.224 285 N C -0.576 174.998 175.510 0.106 0.000 1.179 285 N CA -0.014 53.176 53.050 0.234 0.000 0.877 285 N CB 0.293 38.922 38.487 0.238 0.000 1.072 285 N HN -0.000 nan 8.380 nan 0.000 0.519 286 T N 1.490 116.145 114.554 0.167 0.000 2.907 286 T HA 0.588 4.939 4.350 0.001 0.000 0.284 286 T C -0.571 174.178 174.700 0.082 0.000 1.004 286 T CA -0.459 61.727 62.100 0.145 0.000 1.063 286 T CB 1.925 70.978 68.868 0.308 0.000 0.992 286 T HN 0.209 nan 8.240 nan 0.000 0.483 287 L N 3.243 124.471 121.223 0.008 0.000 2.493 287 L HA 0.739 5.080 4.340 0.001 0.000 0.265 287 L C -1.019 175.841 176.870 -0.017 0.000 0.954 287 L CA -0.808 54.025 54.840 -0.012 0.000 0.844 287 L CB 1.731 43.721 42.059 -0.116 0.000 1.302 287 L HN 0.553 nan 8.230 nan 0.000 0.405 288 V N 0.535 120.467 119.914 0.029 0.000 2.769 288 V HA 0.894 5.015 4.120 0.001 0.000 0.312 288 V C -0.414 175.729 176.094 0.081 0.000 1.058 288 V CA -0.160 62.185 62.300 0.074 0.000 0.952 288 V CB 1.793 33.706 31.823 0.150 0.000 1.019 288 V HN 0.813 nan 8.190 nan 0.000 0.445 289 T N 4.505 119.114 114.554 0.090 0.000 2.912 289 T HA 0.586 4.937 4.350 0.001 0.000 0.299 289 T C -1.012 173.679 174.700 -0.015 0.000 1.052 289 T CA -0.291 61.829 62.100 0.034 0.000 0.996 289 T CB 1.673 70.520 68.868 -0.036 0.000 1.070 289 T HN 0.864 nan 8.240 nan 0.000 0.465 290 L N 3.806 124.996 121.223 -0.054 0.000 2.272 290 L HA 0.539 4.879 4.340 0.001 0.000 0.284 290 L C -1.082 175.710 176.870 -0.131 0.000 1.045 290 L CA -0.371 54.333 54.840 -0.225 0.000 0.842 290 L CB -0.229 41.726 42.059 -0.173 0.000 1.224 290 L HN 0.550 nan 8.230 nan 0.000 0.430 291 L N 6.441 127.559 121.223 -0.175 0.000 2.325 291 L HA 0.517 4.858 4.340 0.001 0.000 0.279 291 L C -2.069 174.701 176.870 -0.167 0.000 1.054 291 L CA -1.915 52.805 54.840 -0.199 0.000 0.804 291 L CB 1.149 43.072 42.059 -0.226 0.000 1.200 291 L HN 0.437 nan 8.230 nan 0.000 0.436 292 P HA 0.241 nan 4.420 nan 0.000 0.277 292 P C -0.807 176.434 177.300 -0.099 0.000 1.354 292 P CA -0.014 63.035 63.100 -0.085 0.000 0.891 292 P CB 0.417 32.111 31.700 -0.011 0.000 1.058 293 L N 2.900 124.090 121.223 -0.054 0.000 2.527 293 L HA 0.269 4.609 4.340 0.001 0.000 0.261 293 L C 0.683 177.554 176.870 0.002 0.000 1.534 293 L CA 0.239 55.058 54.840 -0.034 0.000 0.757 293 L CB -0.024 42.006 42.059 -0.048 0.000 0.999 293 L HN 0.357 nan 8.230 nan 0.000 0.517 294 E N 1.464 121.672 120.200 0.014 0.000 3.435 294 E HA -0.266 4.085 4.350 0.001 0.000 0.312 294 E C -0.024 176.576 176.600 0.001 0.000 0.869 294 E CA 0.673 57.082 56.400 0.016 0.000 1.112 294 E CB -0.622 29.087 29.700 0.014 0.000 1.561 294 E HN 0.728 nan 8.360 nan 0.000 0.417 295 N N -1.392 117.315 118.700 0.012 0.000 2.699 295 N HA -0.164 4.576 4.740 0.001 0.000 0.257 295 N C -0.180 175.329 175.510 -0.001 0.000 1.077 295 N CA 1.673 54.738 53.050 0.025 0.000 0.702 295 N CB -1.191 37.308 38.487 0.019 0.000 0.886 295 N HN 0.558 nan 8.380 nan 0.000 0.549 296 G N -0.009 108.807 108.800 0.027 0.000 4.765 296 G HA2 0.390 4.351 3.960 0.001 0.000 0.276 296 G HA3 0.390 4.351 3.960 0.001 0.000 0.276 296 G C -0.413 174.558 174.900 0.119 0.000 0.986 296 G CA -0.253 44.894 45.100 0.080 0.000 0.755 296 G HN 0.242 nan 8.290 nan 0.000 0.391 297 L N 0.727 121.963 121.223 0.023 0.000 2.376 297 L HA 0.566 4.906 4.340 0.001 0.000 0.275 297 L C -1.200 175.620 176.870 -0.084 0.000 0.987 297 L CA -0.851 54.005 54.840 0.028 0.000 0.828 297 L CB 2.112 44.161 42.059 -0.016 0.000 1.249 297 L HN 0.007 nan 8.230 nan 0.000 0.409 298 F N 2.491 122.515 119.950 0.124 0.000 2.363 298 F HA 0.301 4.828 4.527 0.001 0.000 0.366 298 F C 0.538 176.351 175.800 0.021 0.000 1.083 298 F CA -0.332 57.722 58.000 0.090 0.000 1.176 298 F CB 1.246 40.313 39.000 0.112 0.000 1.432 298 F HN 0.438 nan 8.300 nan 0.000 0.482 299 Q N 5.031 124.915 119.800 0.140 0.000 2.288 299 Q HA 0.550 4.890 4.340 0.001 0.000 0.254 299 Q C -0.632 175.395 176.000 0.044 0.000 0.932 299 Q CA -0.416 55.447 55.803 0.099 0.000 0.902 299 Q CB 0.970 29.794 28.738 0.143 0.000 1.203 299 Q HN 0.673 nan 8.270 nan 0.000 0.415 300 M N 2.348 121.882 119.600 -0.109 0.000 2.149 300 M HA 0.605 5.086 4.480 0.001 0.000 0.273 300 M C -0.757 175.198 176.300 -0.574 0.000 0.972 300 M CA -0.831 54.316 55.300 -0.256 0.000 0.984 300 M CB 1.619 34.061 32.600 -0.265 0.000 1.699 300 M HN 0.567 nan 8.290 nan 0.000 0.462 301 G N 1.862 110.490 108.800 -0.288 0.000 3.039 301 G HA2 0.897 4.858 3.960 0.001 0.000 0.159 301 G HA3 0.897 4.858 3.960 0.001 0.000 0.159 301 G C -0.869 173.839 174.900 -0.319 0.000 1.284 301 G CA -0.328 44.493 45.100 -0.465 0.000 0.996 301 G HN 0.867 nan 8.290 nan 0.000 0.592 302 T N -2.048 112.366 114.554 -0.233 0.000 2.956 302 T HA 0.626 4.977 4.350 0.001 0.000 0.312 302 T C -0.633 174.027 174.700 -0.067 0.000 1.151 302 T CA -0.683 61.359 62.100 -0.096 0.000 1.024 302 T CB 1.373 70.205 68.868 -0.060 0.000 1.140 302 T HN 0.365 nan 8.240 nan 0.000 0.473 303 L N 2.496 123.653 121.223 -0.109 0.000 2.399 303 L HA 0.813 5.154 4.340 0.001 0.000 0.266 303 L C -0.772 176.034 176.870 -0.108 0.000 1.114 303 L CA -1.097 53.617 54.840 -0.210 0.000 0.804 303 L CB 1.354 43.027 42.059 -0.644 0.000 1.146 303 L HN 0.643 nan 8.230 nan 0.000 0.451 304 L N 3.332 124.506 121.223 -0.082 0.000 2.705 304 L HA 0.734 5.075 4.340 0.001 0.000 0.260 304 L C -1.044 175.819 176.870 -0.011 0.000 0.921 304 L CA -0.081 54.750 54.840 -0.014 0.000 0.948 304 L CB 1.723 43.778 42.059 -0.007 0.000 1.427 304 L HN 0.405 nan 8.230 nan 0.000 0.432 312 T N 3.855 118.369 114.554 -0.066 0.000 2.921 312 T HA 0.445 4.795 4.350 0.001 0.000 0.297 312 T C -1.747 172.965 174.700 0.020 0.000 1.013 312 T CA -0.314 61.813 62.100 0.045 0.000 0.990 312 T CB 1.245 70.132 68.868 0.033 0.000 1.023 312 T HN 0.427 nan 8.240 nan 0.000 0.447 313 Y N 3.284 123.513 120.300 -0.117 0.000 2.328 313 Y HA 0.578 5.129 4.550 0.002 0.000 0.337 313 Y C -0.203 175.518 175.900 -0.299 0.000 1.008 313 Y CA -0.936 56.934 58.100 -0.384 0.000 1.129 313 Y CB 0.928 38.905 38.460 -0.806 0.000 1.185 313 Y HN 0.675 nan 8.280 nan 0.000 0.476 314 T N 5.311 119.408 114.554 -0.762 0.000 2.890 314 T HA 0.294 4.645 4.350 0.001 0.000 0.295 314 T C -0.587 173.708 174.700 -0.676 0.000 0.993 314 T CA -0.653 61.086 62.100 -0.602 0.000 0.979 314 T CB 0.451 69.169 68.868 -0.250 0.000 0.967 314 T HN 0.588 nan 8.240 nan 0.000 0.441 315 F N 2.894 122.395 119.950 -0.748 0.000 2.669 315 F HA 0.044 4.572 4.527 0.001 0.000 0.344 315 F C 1.231 176.833 175.800 -0.331 0.000 1.161 315 F CA 0.852 58.551 58.000 -0.502 0.000 1.377 315 F CB 0.627 39.450 39.000 -0.294 0.000 1.047 315 F HN 0.635 nan 8.300 nan 0.000 0.627 316 Q N 1.320 120.308 119.800 -1.353 0.000 2.451 316 Q HA 0.141 4.482 4.340 0.001 0.000 0.216 316 Q C -0.733 174.642 176.000 -1.042 0.000 0.746 316 Q CA 0.192 55.459 55.803 -0.893 0.000 0.940 316 Q CB 0.428 28.755 28.738 -0.685 0.000 1.311 316 Q HN 0.753 nan 8.270 nan 0.000 0.481 317 N N -0.224 117.618 118.700 -1.430 0.000 4.409 317 N HA 0.060 4.800 4.740 0.001 0.000 0.208 317 N C -2.182 173.169 175.510 -0.265 0.000 1.233 317 N CA -0.198 52.456 53.050 -0.659 0.000 0.881 317 N CB 0.282 38.661 38.487 -0.179 0.000 1.507 317 N HN -0.129 nan 8.380 nan 0.000 0.511 318 N N 0.925 119.679 118.700 0.089 0.000 2.469 318 N HA 0.527 5.267 4.740 0.001 0.000 0.253 318 N C -0.970 174.589 175.510 0.082 0.000 0.970 318 N CA -0.255 52.878 53.050 0.139 0.000 0.940 318 N CB 0.887 39.504 38.487 0.217 0.000 1.128 318 N HN 0.436 nan 8.380 nan 0.000 0.503 319 I N 4.908 125.494 120.570 0.027 0.000 2.297 319 I HA 0.302 4.472 4.170 0.001 0.000 0.291 319 I C -1.745 174.489 176.117 0.195 0.000 1.033 319 I CA -1.855 59.402 61.300 -0.073 0.000 1.253 319 I CB 1.247 38.974 38.000 -0.454 0.000 1.396 319 I HN 0.307 nan 8.210 nan 0.000 0.476 320 P HA 0.114 nan 4.420 nan 0.000 0.275 320 P C -0.432 177.186 177.300 0.530 0.000 1.270 320 P CA -0.190 63.106 63.100 0.327 0.000 0.791 320 P CB 0.593 32.447 31.700 0.256 0.000 1.089 321 T N -2.441 112.358 114.554 0.408 0.000 2.918 321 T HA 0.370 4.721 4.350 0.001 0.000 0.286 321 T C 0.290 175.007 174.700 0.028 0.000 1.026 321 T CA -0.930 61.358 62.100 0.314 0.000 1.031 321 T CB 0.452 69.464 68.868 0.240 0.000 1.046 321 T HN 0.458 nan 8.240 nan 0.000 0.479 322 N N 3.545 122.062 118.700 -0.305 0.000 3.105 322 N HA 0.264 5.005 4.740 0.001 0.000 0.256 322 N C -0.925 174.407 175.510 -0.296 0.000 1.174 322 N CA -0.531 52.385 53.050 -0.223 0.000 1.030 322 N CB 0.066 38.432 38.487 -0.202 0.000 1.305 322 N HN 0.603 nan 8.380 nan 0.000 0.509 323 L N 0.581 121.666 121.223 -0.230 0.000 2.362 323 L HA 0.543 4.883 4.340 0.001 0.000 0.271 323 L C 0.360 177.183 176.870 -0.079 0.000 1.002 323 L CA -0.541 54.160 54.840 -0.231 0.000 0.818 323 L CB 2.028 43.873 42.059 -0.357 0.000 1.298 323 L HN 0.528 nan 8.230 nan 0.000 0.420 324 S N 0.989 116.686 115.700 -0.005 0.000 3.132 324 S HA 0.823 5.293 4.470 0.001 0.000 0.322 324 S C 0.258 174.894 174.600 0.061 0.000 1.124 324 S CA -0.101 58.113 58.200 0.022 0.000 0.906 324 S CB 1.517 64.725 63.200 0.013 0.000 1.349 324 S HN 1.439 nan 8.310 nan 0.000 0.686 325 A N -0.353 122.488 122.820 0.034 0.000 2.925 325 A HA 0.056 4.377 4.320 0.001 0.000 0.265 325 A C 1.218 178.790 177.584 -0.019 0.000 1.419 325 A CA 1.694 53.741 52.037 0.016 0.000 0.807 325 A CB -2.377 16.648 19.000 0.042 0.000 1.043 325 A HN 2.599 nan 8.150 nan 0.000 0.600 326 S N -3.817 111.875 115.700 -0.013 0.000 1.794 326 S HA 0.184 4.655 4.470 0.001 0.000 0.246 326 S C 0.807 175.390 174.600 -0.028 0.000 1.023 326 S CA 1.364 59.548 58.200 -0.026 0.000 1.311 326 S CB -2.014 61.158 63.200 -0.047 0.000 1.603 326 S HN 2.851 nan 8.310 nan 0.000 0.545 327 A N -0.403 122.405 122.820 -0.019 0.000 3.044 327 A HA -0.115 4.206 4.320 0.001 0.000 0.278 327 A C 0.061 177.611 177.584 -0.058 0.000 1.407 327 A CA 0.907 52.941 52.037 -0.004 0.000 0.743 327 A CB -2.659 16.324 19.000 -0.028 0.000 1.040 327 A HN 1.696 nan 8.150 nan 0.000 0.491 328 I N -3.188 117.266 120.570 -0.194 0.000 3.555 328 I HA 0.559 4.730 4.170 0.001 0.000 0.343 328 I C 0.079 175.930 176.117 -0.443 0.000 1.426 328 I CA -1.090 60.042 61.300 -0.281 0.000 1.157 328 I CB -0.983 36.836 38.000 -0.301 0.000 1.526 328 I HN 0.351 nan 8.210 nan 0.000 0.461 329 W N 0.629 121.847 121.300 -0.137 0.000 2.570 329 W HA 0.753 5.414 4.660 0.001 0.000 0.337 329 W C 0.134 176.701 176.519 0.080 0.000 1.067 329 W CA -0.577 56.722 57.345 -0.078 0.000 1.229 329 W CB 1.582 30.861 29.460 -0.302 0.000 1.355 329 W HN -0.053 nan 8.180 nan 0.000 0.555 330 S N 2.366 118.358 115.700 0.487 0.000 2.503 330 S HA 0.433 4.903 4.470 0.001 0.000 0.301 330 S C -0.860 174.089 174.600 0.582 0.000 1.087 330 S CA -0.739 57.731 58.200 0.450 0.000 1.042 330 S CB 1.573 64.936 63.200 0.272 0.000 1.043 330 S HN 0.368 nan 8.310 nan 0.000 0.489 331 I N 3.306 124.162 120.570 0.477 0.000 2.648 331 I HA 0.095 4.266 4.170 0.001 0.000 0.284 331 I C 0.709 176.852 176.117 0.043 0.000 1.153 331 I CA 0.607 61.978 61.300 0.117 0.000 1.426 331 I CB 0.653 38.594 38.000 -0.099 0.000 1.381 331 I HN 0.530 nan 8.210 nan 0.000 0.571 332 V N 4.868 124.776 119.914 -0.009 0.000 2.788 332 V HA 0.298 4.418 4.120 0.001 0.000 0.241 332 V C 0.062 176.150 176.094 -0.011 0.000 1.083 332 V CA 0.653 62.974 62.300 0.034 0.000 1.103 332 V CB -0.264 31.595 31.823 0.058 0.000 0.800 332 V HN 0.847 nan 8.190 nan 0.000 0.476 333 D N -0.526 119.828 120.400 -0.077 0.000 2.722 333 D HA 0.433 5.073 4.640 0.001 0.000 0.231 333 D C -1.744 174.491 176.300 -0.108 0.000 1.218 333 D CA -0.405 53.558 54.000 -0.061 0.000 0.753 333 D CB 1.806 42.604 40.800 -0.004 0.000 1.471 333 D HN 0.149 nan 8.370 nan 0.000 0.455 334 L N 0.592 121.773 121.223 -0.070 0.000 2.371 334 L HA 0.952 5.293 4.340 0.001 0.000 0.262 334 L C -1.368 175.493 176.870 -0.016 0.000 1.006 334 L CA -1.133 53.669 54.840 -0.063 0.000 0.818 334 L CB 1.903 43.958 42.059 -0.008 0.000 1.354 334 L HN 0.172 nan 8.230 nan 0.000 0.415 335 V N 2.831 122.729 119.914 -0.027 0.000 2.577 335 V HA 0.555 4.676 4.120 0.001 0.000 0.294 335 V C -1.548 174.526 176.094 -0.033 0.000 1.052 335 V CA -0.449 61.849 62.300 -0.002 0.000 0.891 335 V CB 1.689 33.516 31.823 0.007 0.000 1.017 335 V HN 0.936 nan 8.190 nan 0.000 0.436 336 L N 6.634 127.851 121.223 -0.010 0.000 2.305 336 L HA 0.903 5.244 4.340 0.001 0.000 0.281 336 L C 0.095 176.872 176.870 -0.155 0.000 1.085 336 L CA 1.402 56.206 54.840 -0.060 0.000 0.813 336 L CB 1.328 43.402 42.059 0.025 0.000 1.157 336 L HN 0.984 nan 8.230 nan 0.000 0.436 337 T N 3.946 118.277 114.554 -0.372 0.000 2.711 337 T HA 0.467 4.818 4.350 0.001 0.000 0.302 337 T C -0.967 173.208 174.700 -0.875 0.000 1.373 337 T CA -0.908 60.752 62.100 -0.733 0.000 1.000 337 T CB 0.899 69.578 68.868 -0.314 0.000 1.483 337 T HN 0.749 nan 8.240 nan 0.000 0.499 338 R N 1.779 121.733 120.500 -0.910 0.000 2.758 338 R HA 0.228 4.569 4.340 0.001 0.000 0.263 338 R C -2.140 173.996 176.300 -0.274 0.000 1.010 338 R CA -1.034 54.788 56.100 -0.462 0.000 1.114 338 R CB -0.775 29.447 30.300 -0.131 0.000 0.985 338 R HN 0.457 nan 8.270 nan 0.000 0.439 339 P HA -0.063 nan 4.420 nan 0.000 0.271 339 P C -0.500 176.764 177.300 -0.060 0.000 1.238 339 P CA -0.177 62.846 63.100 -0.129 0.000 0.794 339 P CB 0.624 32.265 31.700 -0.098 0.000 0.959 340 L N 0.355 121.559 121.223 -0.030 0.000 2.464 340 L HA 0.336 4.677 4.340 0.001 0.000 0.264 340 L C 0.656 177.540 176.870 0.022 0.000 1.062 340 L CA -0.274 54.582 54.840 0.027 0.000 0.935 340 L CB 0.584 42.668 42.059 0.041 0.000 1.603 340 L HN 0.434 nan 8.230 nan 0.000 0.528 341 E N 0.660 120.885 120.200 0.040 0.000 2.947 341 E HA 0.290 4.641 4.350 0.001 0.000 0.229 341 E C -0.541 176.047 176.600 -0.020 0.000 1.158 341 E CA -0.150 56.261 56.400 0.018 0.000 1.441 341 E CB -0.075 29.652 29.700 0.045 0.000 1.414 341 E HN 0.320 nan 8.360 nan 0.000 0.432 342 L N 0.590 121.795 121.223 -0.031 0.000 2.425 342 L HA 0.065 4.406 4.340 0.001 0.000 0.225 342 L C 1.091 177.937 176.870 -0.040 0.000 1.222 342 L CA -0.330 54.481 54.840 -0.047 0.000 0.832 342 L CB 0.153 42.185 42.059 -0.044 0.000 1.238 342 L HN 0.200 nan 8.230 nan 0.000 0.533 343 N N -1.163 117.512 118.700 -0.042 0.000 2.571 343 N HA 0.032 4.773 4.740 0.001 0.000 0.189 343 N C -0.906 174.589 175.510 -0.026 0.000 1.154 343 N CA 0.270 53.299 53.050 -0.035 0.000 0.907 343 N CB 0.008 38.472 38.487 -0.038 0.000 0.977 343 N HN 0.154 nan 8.380 nan 0.000 0.449 344 V N 0.738 120.636 119.914 -0.025 0.000 2.482 344 V HA 0.101 4.222 4.120 0.001 0.000 0.295 344 V C 0.919 177.001 176.094 -0.020 0.000 1.026 344 V CA -0.882 61.404 62.300 -0.023 0.000 0.856 344 V CB 1.785 33.591 31.823 -0.027 0.000 1.001 344 V HN 0.236 nan 8.190 nan 0.000 0.424 345 E N 4.386 124.577 120.200 -0.014 0.000 2.150 345 E HA -0.063 4.287 4.350 0.001 0.000 0.193 345 E C 1.179 177.774 176.600 -0.009 0.000 0.985 345 E CA 1.073 57.468 56.400 -0.009 0.000 0.814 345 E CB 0.109 29.807 29.700 -0.004 0.000 0.752 345 E HN 0.731 nan 8.360 nan 0.000 0.466 346 A N 1.761 124.572 122.820 -0.014 0.000 2.898 346 A HA 0.165 4.486 4.320 0.001 0.000 0.288 346 A C -0.072 177.502 177.584 -0.017 0.000 1.771 346 A CA 0.348 52.375 52.037 -0.017 0.000 1.383 346 A CB -0.415 18.569 19.000 -0.027 0.000 1.028 346 A HN 0.174 nan 8.150 nan 0.000 0.595 347 S N 0.610 116.309 115.700 -0.001 0.000 2.540 347 S HA 0.608 5.079 4.470 0.001 0.000 0.275 347 S C -0.303 174.329 174.600 0.053 0.000 1.123 347 S CA -0.422 57.778 58.200 -0.000 0.000 0.907 347 S CB 1.127 64.312 63.200 -0.025 0.000 1.081 347 S HN 0.754 nan 8.310 nan 0.000 0.476 348 Y N 4.427 124.663 120.300 -0.105 0.000 2.784 348 Y HA 0.617 5.168 4.550 0.002 0.000 0.267 348 Y C -0.666 175.176 175.900 -0.096 0.000 1.117 348 Y CA 0.187 58.225 58.100 -0.104 0.000 1.231 348 Y CB 0.177 38.539 38.460 -0.164 0.000 1.441 348 Y HN 0.610 nan 8.280 nan 0.000 0.469 349 L N 0.826 121.844 121.223 -0.341 0.000 2.359 349 L HA 0.459 4.800 4.340 0.001 0.000 0.256 349 L C -1.480 175.243 176.870 -0.244 0.000 1.026 349 L CA -1.145 53.454 54.840 -0.401 0.000 0.828 349 L CB 2.226 44.045 42.059 -0.400 0.000 1.406 349 L HN -0.017 nan 8.230 nan 0.000 0.413 350 N N 1.246 119.793 118.700 -0.256 0.000 2.310 350 N HA 0.580 5.321 4.740 0.001 0.000 0.292 350 N C -1.732 173.659 175.510 -0.198 0.000 1.049 350 N CA -0.349 52.581 53.050 -0.201 0.000 0.849 350 N CB 2.502 40.892 38.487 -0.160 0.000 1.532 350 N HN 0.273 nan 8.380 nan 0.000 0.479 351 L N 3.433 124.536 121.223 -0.200 0.000 2.316 351 L HA 0.624 4.965 4.340 0.001 0.000 0.280 351 L C -1.132 175.645 176.870 -0.156 0.000 1.006 351 L CA -0.370 54.353 54.840 -0.195 0.000 0.836 351 L CB 0.537 42.422 42.059 -0.291 0.000 1.221 351 L HN 0.537 nan 8.230 nan 0.000 0.418 352 I N 5.826 126.326 120.570 -0.117 0.000 2.325 352 I HA 0.358 4.529 4.170 0.001 0.000 0.291 352 I C -0.593 175.444 176.117 -0.133 0.000 1.019 352 I CA -0.556 60.685 61.300 -0.098 0.000 1.302 352 I CB 1.273 39.231 38.000 -0.071 0.000 1.401 352 I HN 0.265 nan 8.210 nan 0.000 0.485 353 V N 7.495 127.313 119.914 -0.160 0.000 2.487 353 V HA 0.388 4.509 4.120 0.001 0.000 0.298 353 V C -0.479 175.384 176.094 -0.385 0.000 1.028 353 V CA -0.694 61.427 62.300 -0.298 0.000 0.860 353 V CB 2.096 33.714 31.823 -0.343 0.000 0.991 353 V HN 0.415 nan 8.190 nan 0.000 0.427 354 L N 5.478 126.459 121.223 -0.403 0.000 2.319 354 L HA 0.685 5.025 4.340 0.001 0.000 0.281 354 L C -1.115 175.600 176.870 -0.258 0.000 1.005 354 L CA -0.064 54.607 54.840 -0.283 0.000 0.828 354 L CB 1.008 42.974 42.059 -0.156 0.000 1.227 354 L HN 0.658 nan 8.230 nan 0.000 0.415 355 W N 4.687 125.966 121.300 -0.036 0.000 2.578 355 W HA 0.726 5.387 4.660 0.001 0.000 0.364 355 W C -0.330 176.304 176.519 0.191 0.000 1.144 355 W CA -0.692 56.697 57.345 0.073 0.000 1.242 355 W CB 1.388 30.838 29.460 -0.017 0.000 1.382 355 W HN 0.412 nan 8.180 nan 0.000 0.625 356 K N 0.329 121.118 120.400 0.648 0.000 2.527 356 K HA 0.584 4.905 4.320 0.001 0.000 0.260 356 K C -1.440 175.415 176.600 0.425 0.000 0.937 356 K CA -0.634 55.957 56.287 0.508 0.000 0.826 356 K CB 2.047 34.695 32.500 0.246 0.000 1.359 356 K HN 0.280 nan 8.250 nan 0.000 0.434 357 S N 2.344 118.135 115.700 0.151 0.000 2.356 357 S HA 0.547 5.018 4.470 0.001 0.000 0.171 357 S C -0.038 174.472 174.600 -0.149 0.000 1.399 357 S CA 0.497 58.545 58.200 -0.252 0.000 1.225 357 S CB -0.006 62.550 63.200 -1.073 0.000 1.271 357 S HN 1.243 nan 8.310 nan 0.000 0.427 358 G N 2.974 111.740 108.800 -0.057 0.000 2.496 358 G HA2 -0.284 3.677 3.960 0.001 0.000 0.243 358 G HA3 -0.284 3.677 3.960 0.001 0.000 0.243 358 G C 0.667 175.552 174.900 -0.025 0.000 1.176 358 G CA 0.582 45.659 45.100 -0.038 0.000 0.940 358 G HN 1.494 nan 8.290 nan 0.000 0.573 359 T N -0.623 113.917 114.554 -0.023 0.000 3.122 359 T HA 0.676 5.027 4.350 0.001 0.000 0.250 359 T C 0.860 175.574 174.700 0.023 0.000 1.067 359 T CA 1.471 63.550 62.100 -0.034 0.000 0.966 359 T CB 0.284 69.138 68.868 -0.025 0.000 1.002 359 T HN 1.980 nan 8.240 nan 0.000 0.542 360 A N 1.771 124.634 122.820 0.071 0.000 2.304 360 A HA 0.748 5.069 4.320 0.001 0.000 0.301 360 A C 0.452 178.216 177.584 0.300 0.000 1.132 360 A CA -0.633 51.506 52.037 0.170 0.000 0.819 360 A CB 0.830 19.939 19.000 0.182 0.000 1.094 360 A HN 0.608 nan 8.150 nan 0.000 0.492 361 S N 1.188 117.066 115.700 0.296 0.000 2.634 361 S HA 0.811 5.282 4.470 0.001 0.000 0.296 361 S C -0.798 173.887 174.600 0.142 0.000 1.104 361 S CA -0.811 57.556 58.200 0.278 0.000 0.920 361 S CB 1.756 65.057 63.200 0.168 0.000 1.111 361 S HN 0.708 nan 8.310 nan 0.000 0.493 362 K N 0.656 121.053 120.400 -0.005 0.000 2.565 362 K HA 0.554 4.875 4.320 0.001 0.000 0.249 362 K C -2.110 174.407 176.600 -0.139 0.000 0.958 362 K CA -0.586 55.577 56.287 -0.206 0.000 0.806 362 K CB 1.759 33.845 32.500 -0.689 0.000 1.194 362 K HN 0.711 nan 8.250 nan 0.000 0.434 363 L N 3.424 124.518 121.223 -0.216 0.000 2.333 363 L HA 0.461 4.801 4.340 0.001 0.000 0.280 363 L C -1.248 175.501 176.870 -0.202 0.000 1.004 363 L CA -0.013 54.637 54.840 -0.317 0.000 0.820 363 L CB 1.594 43.208 42.059 -0.742 0.000 1.247 363 L HN 0.679 nan 8.230 nan 0.000 0.416 364 Q N 4.563 124.288 119.800 -0.126 0.000 2.528 364 Q HA 0.653 4.994 4.340 0.001 0.000 0.289 364 Q C -1.505 174.534 176.000 0.064 0.000 1.091 364 Q CA -0.854 54.953 55.803 0.007 0.000 0.797 364 Q CB 3.174 31.938 28.738 0.044 0.000 1.466 364 Q HN 0.571 nan 8.270 nan 0.000 0.436 365 I N 1.868 122.535 120.570 0.162 0.000 2.512 365 I HA 0.247 4.418 4.170 0.001 0.000 0.287 365 I C -1.427 174.725 176.117 0.060 0.000 1.069 365 I CA -0.828 60.511 61.300 0.066 0.000 1.056 365 I CB 1.801 39.798 38.000 -0.005 0.000 1.229 365 I HN 0.342 nan 8.210 nan 0.000 0.429 366 L N 6.930 128.039 121.223 -0.189 0.000 2.260 366 L HA 0.410 4.751 4.340 0.001 0.000 0.289 366 L C -0.282 176.373 176.870 -0.357 0.000 1.057 366 L CA 0.135 54.598 54.840 -0.628 0.000 0.811 366 L CB 0.722 42.116 42.059 -1.108 0.000 1.184 366 L HN 0.543 nan 8.230 nan 0.000 0.429 367 N N 4.137 122.680 118.700 -0.261 0.000 2.444 367 N HA 0.417 5.157 4.740 0.001 0.000 0.262 367 N C -1.177 174.259 175.510 -0.122 0.000 0.974 367 N CA -0.642 52.314 53.050 -0.157 0.000 0.933 367 N CB 1.343 39.773 38.487 -0.095 0.000 1.137 367 N HN 0.392 nan 8.380 nan 0.000 0.498 368 V N 2.084 121.928 119.914 -0.117 0.000 2.383 368 V HA 0.460 4.581 4.120 0.001 0.000 0.275 368 V C 0.697 176.762 176.094 -0.049 0.000 1.036 368 V CA -0.614 61.638 62.300 -0.079 0.000 0.889 368 V CB 0.877 32.612 31.823 -0.146 0.000 0.985 368 V HN 0.593 nan 8.190 nan 0.000 0.459 369 N N 3.625 122.298 118.700 -0.046 0.000 2.048 369 N HA -0.060 4.680 4.740 0.001 0.000 0.193 369 N C 0.319 175.799 175.510 -0.051 0.000 1.061 369 N CA 1.865 54.889 53.050 -0.042 0.000 0.849 369 N CB -0.244 38.210 38.487 -0.055 0.000 1.044 369 N HN 1.005 nan 8.380 nan 0.000 0.429 370 D N -0.518 119.805 120.400 -0.127 0.000 2.478 370 D HA 0.195 4.836 4.640 0.001 0.000 0.263 370 D C 0.032 176.051 176.300 -0.468 0.000 1.153 370 D CA -0.551 53.316 54.000 -0.222 0.000 1.038 370 D CB 0.482 41.180 40.800 -0.170 0.000 1.120 370 D HN 0.106 nan 8.370 nan 0.000 0.564 371 E N -0.849 118.975 120.200 -0.627 0.000 2.516 371 E HA -0.062 4.288 4.350 0.001 0.000 0.199 371 E C 0.051 176.352 176.600 -0.498 0.000 1.069 371 E CA 0.318 56.195 56.400 -0.872 0.000 0.876 371 E CB 0.080 29.377 29.700 -0.672 0.000 0.843 371 E HN 0.327 nan 8.360 nan 0.000 0.530 372 S N 0.473 115.977 115.700 -0.327 0.000 2.411 372 S HA 0.138 4.608 4.470 0.001 0.000 0.294 372 S C -0.005 174.515 174.600 -0.133 0.000 1.115 372 S CA -0.745 57.386 58.200 -0.114 0.000 1.071 372 S CB 0.043 63.201 63.200 -0.071 0.000 0.967 372 S HN 0.018 nan 8.310 nan 0.000 0.488 373 F N 4.362 124.258 119.950 -0.090 0.000 2.763 373 F HA 0.280 4.807 4.527 0.001 0.000 0.309 373 F C 1.524 177.304 175.800 -0.033 0.000 1.267 373 F CA -0.017 57.938 58.000 -0.075 0.000 1.417 373 F CB -0.352 38.565 39.000 -0.138 0.000 1.223 373 F HN 0.623 nan 8.300 nan 0.000 0.539 374 K N -0.803 119.672 120.400 0.126 0.000 2.435 374 K HA 0.142 4.463 4.320 0.001 0.000 0.199 374 K C 0.149 176.871 176.600 0.204 0.000 1.153 374 K CA 0.055 56.443 56.287 0.169 0.000 0.974 374 K CB 0.491 33.042 32.500 0.085 0.000 0.997 374 K HN 0.044 nan 8.250 nan 0.000 0.547 375 N N 1.227 119.994 118.700 0.112 0.000 2.446 375 N HA 0.223 4.963 4.740 0.001 0.000 0.265 375 N C -1.226 174.309 175.510 0.041 0.000 0.975 375 N CA -0.212 52.835 53.050 -0.004 0.000 0.928 375 N CB 1.149 39.603 38.487 -0.056 0.000 1.160 375 N HN 0.065 nan 8.380 nan 0.000 0.495 376 Y N -0.931 119.304 120.300 -0.108 0.000 2.705 376 Y HA 0.659 5.210 4.550 0.001 0.000 0.332 376 Y C -0.929 174.879 175.900 -0.152 0.000 1.221 376 Y CA -1.126 56.875 58.100 -0.164 0.000 1.059 376 Y CB 1.636 39.955 38.460 -0.234 0.000 1.298 376 Y HN 0.227 nan 8.280 nan 0.000 0.459 377 E N 0.496 120.650 120.200 -0.075 0.000 2.321 377 E HA 0.265 4.615 4.350 0.001 0.000 0.278 377 E C -2.390 174.202 176.600 -0.014 0.000 0.902 377 E CA -0.699 55.657 56.400 -0.072 0.000 0.758 377 E CB 1.511 31.177 29.700 -0.057 0.000 1.213 377 E HN 0.732 nan 8.360 nan 0.000 0.426 378 W N 5.260 126.607 121.300 0.079 0.000 2.358 378 W HA 0.377 5.038 4.660 0.001 0.000 0.307 378 W C -0.069 176.454 176.519 0.006 0.000 1.203 378 W CA -0.444 56.934 57.345 0.055 0.000 1.279 378 W CB 0.659 30.164 29.460 0.076 0.000 1.264 378 W HN 0.303 nan 8.180 nan 0.000 0.474 379 I N 4.960 125.712 120.570 0.304 0.000 2.312 379 I HA 0.145 4.315 4.170 0.001 0.000 0.290 379 I C 0.445 176.632 176.117 0.117 0.000 1.008 379 I CA -0.607 60.780 61.300 0.145 0.000 1.226 379 I CB 0.709 38.745 38.000 0.060 0.000 1.371 379 I HN 0.382 nan 8.210 nan 0.000 0.468 380 E N 4.586 124.821 120.200 0.057 0.000 2.302 380 E HA 0.593 4.944 4.350 0.001 0.000 0.255 380 E C -0.490 176.097 176.600 -0.023 0.000 1.099 380 E CA -0.528 55.872 56.400 -0.000 0.000 0.929 380 E CB 1.938 31.624 29.700 -0.024 0.000 1.203 380 E HN 0.644 nan 8.360 nan 0.000 0.459 381 S N -1.400 114.277 115.700 -0.038 0.000 2.596 381 S HA 0.372 4.843 4.470 0.001 0.000 0.270 381 S C -0.635 173.950 174.600 -0.026 0.000 1.155 381 S CA -0.988 57.194 58.200 -0.031 0.000 0.827 381 S CB 0.899 64.111 63.200 0.021 0.000 1.130 381 S HN 0.193 nan 8.310 nan 0.000 0.467 382 V N 2.812 122.671 119.914 -0.092 0.000 2.572 382 V HA 0.266 4.387 4.120 0.001 0.000 0.291 382 V C 0.524 176.638 176.094 0.034 0.000 1.039 382 V CA -0.383 61.854 62.300 -0.105 0.000 1.055 382 V CB 0.292 31.903 31.823 -0.354 0.000 0.969 382 V HN 0.942 nan 8.190 nan 0.000 0.482 383 N N 3.329 122.070 118.700 0.068 0.000 2.238 383 N HA 0.171 4.912 4.740 0.001 0.000 0.222 383 N C -0.053 175.519 175.510 0.103 0.000 1.133 383 N CA -0.070 53.064 53.050 0.140 0.000 0.854 383 N CB 0.714 39.278 38.487 0.128 0.000 1.041 383 N HN 0.527 nan 8.380 nan 0.000 0.510 384 K N 0.858 121.293 120.400 0.058 0.000 2.469 384 K HA 0.273 4.594 4.320 0.001 0.000 0.254 384 K C -0.167 176.450 176.600 0.029 0.000 0.939 384 K CA -0.424 55.898 56.287 0.058 0.000 0.812 384 K CB 2.642 35.197 32.500 0.092 0.000 1.301 384 K HN 0.027 nan 8.250 nan 0.000 0.433 385 S N 1.180 116.890 115.700 0.017 0.000 2.603 385 S HA 0.095 4.566 4.470 0.001 0.000 0.268 385 S C 1.280 175.932 174.600 0.086 0.000 1.317 385 S CA -0.577 57.632 58.200 0.015 0.000 1.012 385 S CB 0.706 63.898 63.200 -0.014 0.000 0.926 385 S HN 0.562 nan 8.310 nan 0.000 0.539 386 L N 2.931 124.229 121.223 0.124 0.000 2.012 386 L HA -0.043 4.298 4.340 0.001 0.000 0.210 386 L C 2.392 179.319 176.870 0.095 0.000 1.073 386 L CA 1.681 56.609 54.840 0.147 0.000 0.748 386 L CB -1.259 40.850 42.059 0.083 0.000 0.891 386 L HN 0.720 nan 8.230 nan 0.000 0.431 387 V N 0.090 120.043 119.914 0.065 0.000 2.380 387 V HA -0.327 3.794 4.120 0.001 0.000 0.251 387 V C 2.329 178.443 176.094 0.033 0.000 1.063 387 V CA 2.039 64.365 62.300 0.043 0.000 1.055 387 V CB -0.792 31.025 31.823 -0.011 0.000 0.657 387 V HN 0.480 nan 8.190 nan 0.000 0.455 388 D N -0.164 120.260 120.400 0.041 0.000 2.097 388 D HA -0.079 4.561 4.640 0.001 0.000 0.197 388 D C 2.151 178.517 176.300 0.109 0.000 0.984 388 D CA 1.113 55.152 54.000 0.064 0.000 0.826 388 D CB -0.231 40.610 40.800 0.068 0.000 0.973 388 D HN 0.341 nan 8.370 nan 0.000 0.460 389 L N 0.622 121.914 121.223 0.116 0.000 2.083 389 L HA -0.182 4.159 4.340 0.001 0.000 0.209 389 L C 2.537 179.494 176.870 0.145 0.000 1.083 389 L CA 1.103 56.014 54.840 0.119 0.000 0.752 389 L CB -0.353 41.747 42.059 0.068 0.000 0.899 389 L HN 0.008 nan 8.230 nan 0.000 0.433 390 Q N -1.044 118.833 119.800 0.127 0.000 2.119 390 Q HA -0.197 4.144 4.340 0.001 0.000 0.201 390 Q C 2.491 178.573 176.000 0.136 0.000 0.972 390 Q CA 1.703 57.585 55.803 0.133 0.000 0.847 390 Q CB -0.122 28.684 28.738 0.112 0.000 0.903 390 Q HN 0.403 nan 8.270 nan 0.000 0.433 391 S N 0.470 116.240 115.700 0.116 0.000 2.368 391 S HA -0.169 4.302 4.470 0.001 0.000 0.224 391 S C 1.703 176.377 174.600 0.123 0.000 1.029 391 S CA 1.060 59.321 58.200 0.102 0.000 0.988 391 S CB 0.017 63.264 63.200 0.079 0.000 0.838 391 S HN 0.307 nan 8.310 nan 0.000 0.462 392 E N -0.439 119.863 120.200 0.170 0.000 2.031 392 E HA -0.143 4.208 4.350 0.001 0.000 0.193 392 E C 1.153 177.825 176.600 0.120 0.000 0.994 392 E CA 1.317 57.817 56.400 0.167 0.000 0.800 392 E CB -0.146 29.716 29.700 0.269 0.000 0.752 392 E HN 0.630 nan 8.360 nan 0.000 0.447 393 H N 0.136 119.242 119.070 0.059 0.000 2.592 393 H HA 0.076 4.633 4.556 0.001 0.000 0.291 393 H C -0.554 174.803 175.328 0.048 0.000 1.052 393 H CA 0.302 56.381 56.048 0.052 0.000 1.175 393 H CB -0.257 29.540 29.762 0.059 0.000 1.378 393 H HN 0.100 nan 8.280 nan 0.000 0.576 394 D N 0.583 121.061 120.400 0.131 0.000 2.740 394 D HA -0.200 4.441 4.640 0.001 0.000 0.231 394 D C 0.015 176.379 176.300 0.106 0.000 1.194 394 D CA 0.369 54.426 54.000 0.094 0.000 0.673 394 D CB -0.945 39.890 40.800 0.057 0.000 0.995 394 D HN 0.502 nan 8.370 nan 0.000 0.411 395 L N -0.192 121.107 121.223 0.127 0.000 2.766 395 L HA 0.251 4.592 4.340 0.001 0.000 0.242 395 L C 0.707 177.650 176.870 0.122 0.000 1.136 395 L CA -0.462 54.451 54.840 0.122 0.000 0.933 395 L CB 0.330 42.471 42.059 0.138 0.000 1.241 395 L HN 0.110 nan 8.230 nan 0.000 0.522 396 D N 0.758 121.225 120.400 0.111 0.000 2.316 396 D HA 0.227 4.868 4.640 0.001 0.000 0.245 396 D C 0.730 177.101 176.300 0.119 0.000 1.171 396 D CA 0.136 54.203 54.000 0.111 0.000 0.856 396 D CB 1.162 42.013 40.800 0.086 0.000 1.090 396 D HN 0.090 nan 8.370 nan 0.000 0.476 397 I N 3.064 123.735 120.570 0.168 0.000 3.854 397 I HA -0.065 4.106 4.170 0.001 0.000 0.312 397 I C 1.793 178.039 176.117 0.215 0.000 1.273 397 I CA 0.015 61.436 61.300 0.202 0.000 1.298 397 I CB 0.576 38.752 38.000 0.294 0.000 1.071 397 I HN 0.295 nan 8.210 nan 0.000 0.428 398 V N -0.243 119.755 119.914 0.140 0.000 2.302 398 V HA -0.092 4.029 4.120 0.001 0.000 0.243 398 V C 1.101 177.185 176.094 -0.016 0.000 1.036 398 V CA 1.025 63.331 62.300 0.010 0.000 1.020 398 V CB -0.883 30.800 31.823 -0.234 0.000 0.657 398 V HN 0.311 nan 8.190 nan 0.000 0.453 399 T N 2.606 117.156 114.554 -0.008 0.000 2.819 399 T HA -0.018 4.333 4.350 0.001 0.000 0.282 399 T C 0.222 174.929 174.700 0.012 0.000 1.013 399 T CA 0.480 62.573 62.100 -0.011 0.000 1.159 399 T CB -0.233 68.637 68.868 0.003 0.000 1.007 399 T HN 0.380 nan 8.240 nan 0.000 0.514 400 K N 2.907 123.305 120.400 -0.004 0.000 2.436 400 K HA 0.200 4.520 4.320 0.001 0.000 0.275 400 K C 1.219 177.829 176.600 0.016 0.000 0.999 400 K CA -0.168 56.127 56.287 0.013 0.000 0.980 400 K CB 0.353 32.848 32.500 -0.007 0.000 0.919 400 K HN 0.754 nan 8.250 nan 0.000 0.484 401 T N -1.177 113.391 114.554 0.023 0.000 2.889 401 T HA 0.774 5.124 4.350 0.001 0.000 0.278 401 T C 0.791 175.500 174.700 0.015 0.000 0.995 401 T CA -0.125 61.988 62.100 0.022 0.000 0.966 401 T CB 1.709 70.593 68.868 0.027 0.000 1.237 401 T HN 0.772 nan 8.240 nan 0.000 0.591 402 G N 0.479 109.289 108.800 0.017 0.000 2.659 402 G HA2 -0.059 3.902 3.960 0.001 0.000 0.214 402 G HA3 -0.059 3.902 3.960 0.001 0.000 0.214 402 G C -0.412 174.499 174.900 0.017 0.000 1.191 402 G CA 0.040 45.148 45.100 0.013 0.000 1.141 402 G HN 1.036 nan 8.290 nan 0.000 0.581 403 D N -0.129 120.279 120.400 0.013 0.000 2.438 403 D HA 0.150 4.790 4.640 0.001 0.000 0.230 403 D C 1.729 178.043 176.300 0.024 0.000 1.248 403 D CA 1.017 55.025 54.000 0.013 0.000 0.883 403 D CB 1.222 42.026 40.800 0.007 0.000 1.233 403 D HN 1.107 nan 8.370 nan 0.000 0.500 404 V N 1.482 121.405 119.914 0.015 0.000 2.649 404 V HA -0.075 4.046 4.120 0.001 0.000 0.248 404 V C 1.648 177.774 176.094 0.054 0.000 1.054 404 V CA 1.599 63.914 62.300 0.025 0.000 1.073 404 V CB -0.326 31.485 31.823 -0.020 0.000 0.699 404 V HN 0.555 nan 8.190 nan 0.000 0.463 405 E N 0.085 120.294 120.200 0.015 0.000 2.285 405 E HA -0.159 4.192 4.350 0.001 0.000 0.194 405 E C 2.196 178.859 176.600 0.106 0.000 0.997 405 E CA 0.743 57.162 56.400 0.032 0.000 0.845 405 E CB -0.068 29.613 29.700 -0.033 0.000 0.782 405 E HN 0.475 nan 8.360 nan 0.000 0.491 406 R N 1.350 121.888 120.500 0.063 0.000 2.075 406 R HA -0.057 4.284 4.340 0.001 0.000 0.232 406 R C 2.173 178.512 176.300 0.065 0.000 1.126 406 R CA 1.692 57.819 56.100 0.045 0.000 0.963 406 R CB -0.815 29.498 30.300 0.020 0.000 0.858 406 R HN 0.168 nan 8.270 nan 0.000 0.435 407 G N -1.349 107.506 108.800 0.091 0.000 2.598 407 G HA2 -0.176 3.784 3.960 0.001 0.000 0.215 407 G HA3 -0.176 3.784 3.960 0.001 0.000 0.215 407 G C 1.098 176.082 174.900 0.141 0.000 1.131 407 G CA 0.194 45.350 45.100 0.094 0.000 0.785 407 G HN 0.330 nan 8.290 nan 0.000 0.539 408 F N 0.555 120.504 119.950 -0.003 0.000 2.219 408 F HA 0.081 4.609 4.527 0.001 0.000 0.294 408 F C 2.690 178.443 175.800 -0.078 0.000 1.086 408 F CA 0.496 58.506 58.000 0.017 0.000 1.330 408 F CB -0.232 38.792 39.000 0.040 0.000 1.047 408 F HN 0.150 nan 8.300 nan 0.000 0.495 409 C N 0.424 119.778 119.300 0.089 0.000 2.440 409 C HA -0.150 4.310 4.460 0.001 0.000 0.278 409 C C 2.557 177.478 174.990 -0.116 0.000 1.295 409 C CA 0.960 59.949 59.018 -0.049 0.000 1.738 409 C CB -1.297 26.433 27.740 -0.016 0.000 1.987 409 C HN 0.469 nan 8.230 nan 0.000 0.492 410 N N 1.438 120.101 118.700 -0.062 0.000 2.043 410 N HA -0.083 4.658 4.740 0.001 0.000 0.193 410 N C 1.603 177.057 175.510 -0.094 0.000 1.037 410 N CA 1.349 54.356 53.050 -0.072 0.000 0.851 410 N CB -0.707 37.766 38.487 -0.024 0.000 1.027 410 N HN 0.471 nan 8.380 nan 0.000 0.422 411 L N 0.875 122.062 121.223 -0.060 0.000 2.017 411 L HA -0.108 4.232 4.340 0.001 0.000 0.208 411 L C 2.462 179.287 176.870 -0.076 0.000 1.073 411 L CA 1.179 56.049 54.840 0.049 0.000 0.745 411 L CB -0.446 41.675 42.059 0.104 0.000 0.894 411 L HN 0.152 nan 8.230 nan 0.000 0.432 412 K N -0.029 120.058 120.400 -0.522 0.000 2.032 412 K HA -0.230 4.090 4.320 0.001 0.000 0.209 412 K C 2.475 178.825 176.600 -0.417 0.000 1.048 412 K CA 1.826 57.554 56.287 -0.931 0.000 0.927 412 K CB -0.171 31.627 32.500 -1.169 0.000 0.712 412 K HN 0.160 nan 8.250 nan 0.000 0.441 413 S N 0.416 115.928 115.700 -0.313 0.000 2.356 413 S HA -0.188 4.283 4.470 0.001 0.000 0.223 413 S C 2.119 176.559 174.600 -0.267 0.000 1.032 413 S CA 1.421 59.464 58.200 -0.262 0.000 1.005 413 S CB -0.333 62.724 63.200 -0.238 0.000 0.867 413 S HN 0.430 nan 8.310 nan 0.000 0.449 414 R N -1.243 119.108 120.500 -0.249 0.000 2.081 414 R HA -0.101 4.240 4.340 0.001 0.000 0.235 414 R C 1.794 177.854 176.300 -0.399 0.000 1.131 414 R CA 1.878 57.777 56.100 -0.335 0.000 0.960 414 R CB -0.404 29.676 30.300 -0.367 0.000 0.856 414 R HN 0.567 nan 8.270 nan 0.000 0.436 415 Y N -0.694 119.528 120.300 -0.130 0.000 2.436 415 Y HA 0.282 4.832 4.550 0.001 0.000 0.288 415 Y C 1.024 176.881 175.900 -0.071 0.000 1.112 415 Y CA 0.883 58.935 58.100 -0.080 0.000 1.220 415 Y CB 0.542 38.986 38.460 -0.026 0.000 1.073 415 Y HN 0.397 nan 8.280 nan 0.000 0.552 416 G N -0.482 108.330 108.800 0.020 0.000 2.719 416 G HA2 -0.213 3.748 3.960 0.001 0.000 0.686 416 G HA3 -0.213 3.748 3.960 0.001 0.000 0.686 416 G C 0.497 175.439 174.900 0.070 0.000 1.201 416 G CA -0.232 44.867 45.100 -0.002 0.000 0.768 416 G HN 0.085 nan 8.290 nan 0.000 0.629 417 T N 0.524 115.108 114.554 0.049 0.000 2.720 417 T HA -0.217 4.134 4.350 0.001 0.000 0.268 417 T C 2.317 177.120 174.700 0.172 0.000 1.037 417 T CA 2.287 64.454 62.100 0.112 0.000 1.144 417 T CB -0.252 68.667 68.868 0.084 0.000 0.864 417 T HN 0.698 nan 8.240 nan 0.000 0.444 418 Q N 0.145 120.050 119.800 0.175 0.000 2.077 418 Q HA -0.135 4.206 4.340 0.001 0.000 0.206 418 Q C 2.292 178.467 176.000 0.291 0.000 0.989 418 Q CA 1.619 57.570 55.803 0.247 0.000 0.853 418 Q CB -0.265 28.650 28.738 0.296 0.000 0.907 418 Q HN 0.552 nan 8.270 nan 0.000 0.418 419 I N -0.306 120.392 120.570 0.212 0.000 2.233 419 I HA -0.211 3.959 4.170 0.001 0.000 0.243 419 I C 2.163 178.260 176.117 -0.033 0.000 1.093 419 I CA 0.648 61.922 61.300 -0.042 0.000 1.380 419 I CB -0.323 37.616 38.000 -0.103 0.000 1.067 419 I HN 0.212 nan 8.210 nan 0.000 0.413 420 F N 2.150 122.041 119.950 -0.097 0.000 2.091 420 F HA -0.274 4.253 4.527 0.001 0.000 0.299 420 F C 2.505 178.243 175.800 -0.102 0.000 1.103 420 F CA 1.912 59.824 58.000 -0.147 0.000 1.228 420 F CB -0.268 38.662 39.000 -0.116 0.000 0.984 420 F HN 0.073 nan 8.300 nan 0.000 0.477 421 E N -0.651 119.616 120.200 0.112 0.000 2.204 421 E HA -0.240 4.110 4.350 0.001 0.000 0.194 421 E C 2.133 178.725 176.600 -0.013 0.000 0.989 421 E CA 0.930 57.354 56.400 0.040 0.000 0.824 421 E CB -0.242 29.535 29.700 0.128 0.000 0.756 421 E HN 0.203 nan 8.360 nan 0.000 0.477 422 R N 1.386 121.892 120.500 0.011 0.000 2.148 422 R HA -0.006 4.335 4.340 0.001 0.000 0.223 422 R C 1.835 178.084 176.300 -0.086 0.000 1.088 422 R CA 1.358 57.473 56.100 0.025 0.000 0.985 422 R CB -0.381 30.003 30.300 0.140 0.000 0.880 422 R HN 0.109 nan 8.270 nan 0.000 0.451 423 A N -0.009 122.687 122.820 -0.207 0.000 1.970 423 A HA -0.028 4.293 4.320 0.001 0.000 0.216 423 A C 1.888 179.323 177.584 -0.247 0.000 1.170 423 A CA 0.878 52.753 52.037 -0.270 0.000 0.645 423 A CB -0.253 18.501 19.000 -0.410 0.000 0.816 423 A HN 0.453 nan 8.150 nan 0.000 0.447 424 Q N -0.807 118.816 119.800 -0.295 0.000 2.436 424 Q HA -0.125 4.216 4.340 0.001 0.000 0.209 424 Q C 2.099 178.062 176.000 -0.061 0.000 0.965 424 Q CA 0.938 56.629 55.803 -0.187 0.000 0.910 424 Q CB 0.038 28.648 28.738 -0.213 0.000 0.980 424 Q HN 0.832 nan 8.270 nan 0.000 0.491 425 Q N 0.824 120.591 119.800 -0.054 0.000 2.008 425 Q HA -0.090 4.251 4.340 0.001 0.000 0.196 425 Q C 1.969 177.964 176.000 -0.009 0.000 0.973 425 Q CA 0.732 56.529 55.803 -0.009 0.000 0.826 425 Q CB 0.079 28.824 28.738 0.012 0.000 0.894 425 Q HN 0.376 nan 8.270 nan 0.000 0.439 426 I N 1.285 121.841 120.570 -0.022 0.000 2.657 426 I HA -0.286 3.885 4.170 0.001 0.000 0.261 426 I C 2.102 178.212 176.117 -0.012 0.000 1.212 426 I CA 0.703 61.993 61.300 -0.017 0.000 1.453 426 I CB -0.172 37.807 38.000 -0.034 0.000 1.092 426 I HN 0.313 nan 8.210 nan 0.000 0.452 427 L N 0.134 121.352 121.223 -0.009 0.000 2.049 427 L HA -0.159 4.182 4.340 0.001 0.000 0.203 427 L C 2.840 179.722 176.870 0.020 0.000 1.074 427 L CA 1.628 56.485 54.840 0.028 0.000 0.749 427 L CB -0.456 41.662 42.059 0.099 0.000 0.907 427 L HN 0.302 nan 8.230 nan 0.000 0.439 428 S N -0.859 114.849 115.700 0.013 0.000 2.368 428 S HA -0.218 4.253 4.470 0.001 0.000 0.225 428 S C 1.736 176.337 174.600 0.001 0.000 1.030 428 S CA 1.062 59.262 58.200 0.000 0.000 0.999 428 S CB -0.484 62.719 63.200 0.004 0.000 0.844 428 S HN 0.379 nan 8.310 nan 0.000 0.459 429 E N 1.500 121.703 120.200 0.005 0.000 2.209 429 E HA -0.060 4.291 4.350 0.001 0.000 0.196 429 E C 1.049 177.653 176.600 0.005 0.000 0.993 429 E CA 0.806 57.210 56.400 0.007 0.000 0.819 429 E CB -0.191 29.515 29.700 0.011 0.000 0.745 429 E HN 0.593 nan 8.360 nan 0.000 0.477 430 N N 0.135 118.838 118.700 0.004 0.000 2.251 430 N HA 0.000 4.741 4.740 0.001 0.000 0.217 430 N C -0.508 175.001 175.510 -0.000 0.000 1.124 430 N CA 0.040 53.092 53.050 0.004 0.000 0.843 430 N CB 0.647 39.138 38.487 0.006 0.000 1.024 430 N HN -0.072 nan 8.380 nan 0.000 0.501 431 K N 0.293 120.689 120.400 -0.006 0.000 3.209 431 K HA -0.163 4.158 4.320 0.001 0.000 0.289 431 K C -0.267 176.316 176.600 -0.028 0.000 1.191 431 K CA 0.631 56.909 56.287 -0.016 0.000 0.851 431 K CB -2.078 30.415 32.500 -0.012 0.000 1.242 431 K HN 0.408 nan 8.250 nan 0.000 0.480 432 I N 2.408 122.963 120.570 -0.024 0.000 2.256 432 I HA 0.222 4.392 4.170 0.001 0.000 0.294 432 I C 1.011 177.045 176.117 -0.137 0.000 1.127 432 I CA -0.563 60.714 61.300 -0.038 0.000 1.247 432 I CB -0.013 38.008 38.000 0.036 0.000 1.460 432 I HN 0.060 nan 8.210 nan 0.000 0.511 433 I N 2.645 123.088 120.570 -0.211 0.000 2.493 433 I HA 0.497 4.667 4.170 0.001 0.000 0.298 433 I C -0.037 175.773 176.117 -0.512 0.000 0.998 433 I CA -0.997 60.107 61.300 -0.326 0.000 1.137 433 I CB 1.900 39.799 38.000 -0.168 0.000 1.310 433 I HN 0.475 nan 8.210 nan 0.000 0.445 434 M N 5.547 124.696 119.600 -0.752 0.000 2.427 434 M HA 0.199 4.679 4.480 0.001 0.000 0.345 434 M C 1.065 177.230 176.300 -0.227 0.000 1.653 434 M CA 0.302 55.214 55.300 -0.647 0.000 1.138 434 M CB 1.146 33.498 32.600 -0.412 0.000 1.995 434 M HN 1.003 nan 8.290 nan 0.000 0.459 435 A N 5.344 128.101 122.820 -0.104 0.000 1.828 435 A HA -0.070 4.250 4.320 0.001 0.000 0.215 435 A C 0.867 178.530 177.584 0.131 0.000 1.203 435 A CA 1.813 53.880 52.037 0.050 0.000 0.614 435 A CB -0.395 18.711 19.000 0.176 0.000 0.844 435 A HN 0.942 nan 8.150 nan 0.000 0.445 436 H N -4.012 115.037 119.070 -0.034 0.000 2.960 436 H HA 0.412 4.968 4.556 0.001 0.000 0.303 436 H C 0.244 175.561 175.328 -0.019 0.000 1.412 436 H CA -0.403 55.630 56.048 -0.025 0.000 1.227 436 H CB -0.061 29.693 29.762 -0.014 0.000 1.912 436 H HN 0.089 nan 8.280 nan 0.000 0.583 437 N N -0.078 118.561 118.700 -0.102 0.000 2.205 437 N HA -0.140 4.601 4.740 0.001 0.000 0.186 437 N C 0.312 175.636 175.510 -0.309 0.000 1.015 437 N CA 1.700 54.647 53.050 -0.172 0.000 0.862 437 N CB 0.036 38.491 38.487 -0.054 0.000 0.986 437 N HN 0.599 nan 8.380 nan 0.000 0.429 438 E N -0.174 119.672 120.200 -0.590 0.000 2.496 438 E HA 0.033 4.384 4.350 0.001 0.000 0.202 438 E C -0.713 175.543 176.600 -0.573 0.000 1.021 438 E CA -0.194 55.950 56.400 -0.427 0.000 1.015 438 E CB 0.155 29.842 29.700 -0.022 0.000 1.102 438 E HN 0.172 nan 8.360 nan 0.000 0.452 439 D N 1.986 121.946 120.400 -0.733 0.000 2.597 439 D HA -0.036 4.605 4.640 0.001 0.000 0.228 439 D C 0.694 177.014 176.300 0.033 0.000 1.120 439 D CA 0.270 54.147 54.000 -0.205 0.000 1.083 439 D CB 0.088 40.852 40.800 -0.061 0.000 1.116 439 D HN 0.182 nan 8.370 nan 0.000 0.487 440 E N 1.161 121.385 120.200 0.040 0.000 2.130 440 E HA -0.252 4.099 4.350 0.001 0.000 0.196 440 E C 1.500 178.155 176.600 0.091 0.000 0.998 440 E CA 0.823 57.260 56.400 0.063 0.000 0.806 440 E CB 0.127 29.861 29.700 0.057 0.000 0.738 440 E HN 0.594 nan 8.360 nan 0.000 0.459 441 E N 0.178 120.444 120.200 0.110 0.000 2.171 441 E HA -0.249 4.102 4.350 0.001 0.000 0.197 441 E C 1.698 178.396 176.600 0.162 0.000 0.997 441 E CA 1.127 57.595 56.400 0.112 0.000 0.810 441 E CB -0.087 29.677 29.700 0.106 0.000 0.738 441 E HN 0.461 nan 8.360 nan 0.000 0.467 442 Y N 0.551 120.866 120.300 0.025 0.000 2.117 442 Y HA -0.212 4.339 4.550 0.001 0.000 0.277 442 Y C 2.414 178.341 175.900 0.045 0.000 1.104 442 Y CA 1.183 59.301 58.100 0.030 0.000 1.089 442 Y CB -0.330 38.148 38.460 0.029 0.000 0.999 442 Y HN 0.088 nan 8.280 nan 0.000 0.480 443 L N 0.896 122.086 121.223 -0.055 0.000 2.085 443 L HA -0.357 3.984 4.340 0.001 0.000 0.218 443 L C 2.450 179.267 176.870 -0.088 0.000 1.080 443 L CA 1.885 56.641 54.840 -0.140 0.000 0.776 443 L CB -0.705 41.363 42.059 0.014 0.000 0.891 443 L HN 0.487 nan 8.230 nan 0.000 0.437 444 A N -0.364 122.451 122.820 -0.010 0.000 1.978 444 A HA -0.242 4.079 4.320 0.001 0.000 0.220 444 A C 2.005 179.576 177.584 -0.022 0.000 1.170 444 A CA 2.001 54.037 52.037 -0.001 0.000 0.636 444 A CB -0.661 18.355 19.000 0.027 0.000 0.810 444 A HN 0.658 nan 8.150 nan 0.000 0.448 445 N N -0.131 118.559 118.700 -0.017 0.000 2.109 445 N HA -0.034 4.707 4.740 0.001 0.000 0.188 445 N C 1.780 177.227 175.510 -0.106 0.000 1.034 445 N CA 1.070 54.108 53.050 -0.020 0.000 0.846 445 N CB -0.421 38.109 38.487 0.073 0.000 1.010 445 N HN 0.470 nan 8.380 nan 0.000 0.425 446 L N 2.000 123.095 121.223 -0.214 0.000 2.051 446 L HA -0.230 4.111 4.340 0.001 0.000 0.214 446 L C 2.323 179.043 176.870 -0.249 0.000 1.076 446 L CA 1.391 56.044 54.840 -0.311 0.000 0.758 446 L CB -0.301 41.488 42.059 -0.449 0.000 0.890 446 L HN 0.234 nan 8.230 nan 0.000 0.433 447 E N -0.530 119.573 120.200 -0.161 0.000 2.048 447 E HA -0.254 4.096 4.350 0.001 0.000 0.202 447 E C 1.982 178.512 176.600 -0.117 0.000 1.021 447 E CA 2.277 58.617 56.400 -0.100 0.000 0.825 447 E CB -0.524 29.155 29.700 -0.035 0.000 0.756 447 E HN 0.535 nan 8.360 nan 0.000 0.454 448 T N 1.866 116.364 114.554 -0.092 0.000 2.746 448 T HA -0.110 4.241 4.350 0.001 0.000 0.267 448 T C 1.997 176.626 174.700 -0.119 0.000 1.039 448 T CA 0.813 62.866 62.100 -0.078 0.000 1.142 448 T CB -0.067 68.772 68.868 -0.049 0.000 0.866 448 T HN 0.025 nan 8.240 nan 0.000 0.444 449 I N 1.203 121.679 120.570 -0.157 0.000 2.163 449 I HA -0.051 4.120 4.170 0.001 0.000 0.240 449 I C 2.408 178.355 176.117 -0.283 0.000 1.081 449 I CA 1.068 62.256 61.300 -0.186 0.000 1.353 449 I CB -1.469 36.420 38.000 -0.185 0.000 1.054 449 I HN 0.252 nan 8.210 nan 0.000 0.407 450 L N 0.100 121.073 121.223 -0.417 0.000 1.997 450 L HA -0.283 4.058 4.340 0.001 0.000 0.216 450 L C 2.833 179.363 176.870 -0.567 0.000 1.074 450 L CA 1.729 56.142 54.840 -0.711 0.000 0.763 450 L CB -0.738 40.607 42.059 -1.190 0.000 0.890 450 L HN 0.226 nan 8.230 nan 0.000 0.434 451 R N -0.016 120.290 120.500 -0.324 0.000 2.096 451 R HA -0.209 4.131 4.340 0.001 0.000 0.240 451 R C 1.968 178.226 176.300 -0.070 0.000 1.139 451 R CA 2.161 58.224 56.100 -0.063 0.000 0.952 451 R CB -0.250 30.054 30.300 0.007 0.000 0.854 451 R HN 0.424 nan 8.270 nan 0.000 0.436 452 D N -0.391 119.944 120.400 -0.109 0.000 2.097 452 D HA -0.111 4.529 4.640 0.001 0.000 0.197 452 D C 1.991 178.223 176.300 -0.114 0.000 0.984 452 D CA 1.104 55.056 54.000 -0.080 0.000 0.826 452 D CB -0.168 40.592 40.800 -0.068 0.000 0.973 452 D HN 0.087 nan 8.370 nan 0.000 0.460 453 V N 1.403 121.186 119.914 -0.218 0.000 2.287 453 V HA -0.292 3.829 4.120 0.001 0.000 0.248 453 V C 2.472 178.305 176.094 -0.435 0.000 1.053 453 V CA 1.861 63.946 62.300 -0.358 0.000 1.027 453 V CB -0.454 31.048 31.823 -0.535 0.000 0.646 453 V HN 0.121 nan 8.190 nan 0.000 0.447 454 K N 0.490 120.704 120.400 -0.310 0.000 2.009 454 K HA -0.204 4.117 4.320 0.001 0.000 0.210 454 K C 2.097 178.702 176.600 0.009 0.000 1.049 454 K CA 2.481 58.697 56.287 -0.119 0.000 0.929 454 K CB -0.966 31.589 32.500 0.092 0.000 0.714 454 K HN 0.434 nan 8.250 nan 0.000 0.440 455 T N 0.540 115.101 114.554 0.011 0.000 2.737 455 T HA -0.191 4.160 4.350 0.001 0.000 0.269 455 T C 1.785 176.516 174.700 0.052 0.000 1.040 455 T CA 1.495 63.617 62.100 0.038 0.000 1.142 455 T CB -0.573 68.310 68.868 0.026 0.000 0.861 455 T HN 0.464 nan 8.240 nan 0.000 0.456 456 A N 1.331 124.191 122.820 0.066 0.000 1.841 456 A HA 0.010 4.331 4.320 0.001 0.000 0.214 456 A C 1.929 179.676 177.584 0.273 0.000 1.195 456 A CA 1.237 53.361 52.037 0.144 0.000 0.611 456 A CB -1.072 18.034 19.000 0.177 0.000 0.835 456 A HN 0.390 nan 8.150 nan 0.000 0.443 457 F N 1.018 120.997 119.950 0.049 0.000 2.184 457 F HA -0.187 4.341 4.527 0.001 0.000 0.301 457 F C 2.050 177.878 175.800 0.047 0.000 1.076 457 F CA 1.181 59.221 58.000 0.068 0.000 1.295 457 F CB -0.742 38.297 39.000 0.066 0.000 1.026 457 F HN 0.319 nan 8.300 nan 0.000 0.494 458 N N 0.380 119.212 118.700 0.220 0.000 2.383 458 N HA -0.069 4.672 4.740 0.001 0.000 0.192 458 N C 0.356 175.852 175.510 -0.023 0.000 1.141 458 N CA -0.028 53.081 53.050 0.098 0.000 0.851 458 N CB -0.058 38.484 38.487 0.092 0.000 0.976 458 N HN 0.397 nan 8.380 nan 0.000 0.465 459 E N 1.353 121.463 120.200 -0.149 0.000 2.465 459 E HA 0.109 4.460 4.350 0.001 0.000 0.260 459 E C -0.229 176.084 176.600 -0.478 0.000 0.980 459 E CA -0.419 55.701 56.400 -0.466 0.000 0.927 459 E CB 0.591 29.666 29.700 -1.040 0.000 0.934 459 E HN 0.160 nan 8.360 nan 0.000 0.459 460 A N 3.736 126.389 122.820 -0.277 0.000 2.477 460 A HA 0.112 4.433 4.320 0.001 0.000 0.246 460 A C 0.744 178.297 177.584 -0.052 0.000 1.078 460 A CA 0.425 52.400 52.037 -0.104 0.000 0.770 460 A CB 1.102 20.101 19.000 -0.002 0.000 1.011 460 A HN 0.664 nan 8.150 nan 0.000 0.494 461 S N 0.267 115.998 115.700 0.052 0.000 2.930 461 S HA 0.350 4.820 4.470 0.001 0.000 0.253 461 S C 0.529 175.136 174.600 0.012 0.000 1.083 461 S CA 0.953 59.233 58.200 0.133 0.000 0.836 461 S CB -0.147 63.088 63.200 0.058 0.000 0.814 461 S HN 1.938 nan 8.310 nan 0.000 0.467 462 S N -0.154 115.509 115.700 -0.062 0.000 2.636 462 S HA 0.628 5.098 4.470 0.001 0.000 0.268 462 S C -1.467 173.112 174.600 -0.035 0.000 1.159 462 S CA -0.970 57.202 58.200 -0.047 0.000 0.815 462 S CB 0.631 63.757 63.200 -0.124 0.000 1.130 462 S HN 0.277 nan 8.310 nan 0.000 0.471 463 I N 1.003 121.566 120.570 -0.012 0.000 2.525 463 I HA 0.605 4.775 4.170 0.001 0.000 0.301 463 I C -0.431 175.697 176.117 0.018 0.000 0.992 463 I CA -0.465 60.837 61.300 0.004 0.000 1.162 463 I CB 2.272 40.271 38.000 -0.003 0.000 1.332 463 I HN 0.675 nan 8.210 nan 0.000 0.458 464 T N 6.091 120.665 114.554 0.034 0.000 2.879 464 T HA 0.446 4.796 4.350 0.001 0.000 0.290 464 T C -0.370 174.376 174.700 0.076 0.000 0.993 464 T CA -0.443 61.685 62.100 0.047 0.000 0.975 464 T CB 1.259 70.127 68.868 0.000 0.000 0.981 464 T HN 0.298 nan 8.240 nan 0.000 0.439 465 L N 4.138 125.423 121.223 0.103 0.000 2.358 465 L HA 0.358 4.699 4.340 0.001 0.000 0.274 465 L C -0.294 176.670 176.870 0.156 0.000 1.136 465 L CA -0.762 54.149 54.840 0.118 0.000 0.970 465 L CB -0.197 41.922 42.059 0.100 0.000 1.314 465 L HN 0.667 nan 8.230 nan 0.000 0.427 466 Y N 3.652 123.939 120.300 -0.021 0.000 2.620 466 Y HA 0.323 4.874 4.550 0.001 0.000 0.330 466 Y C 1.273 177.237 175.900 0.107 0.000 1.186 466 Y CA 1.352 59.402 58.100 -0.083 0.000 1.467 466 Y CB 0.584 38.938 38.460 -0.176 0.000 1.262 466 Y HN 0.741 nan 8.280 nan 0.000 0.550 467 G N 5.167 113.944 108.800 -0.038 0.000 2.550 467 G HA2 -0.345 3.615 3.960 0.001 0.000 0.277 467 G HA3 -0.345 3.615 3.960 0.001 0.000 0.277 467 G C 0.535 175.526 174.900 0.152 0.000 1.190 467 G CA 0.481 45.684 45.100 0.172 0.000 0.971 467 G HN 0.630 nan 8.290 nan 0.000 0.559 468 D N 1.306 121.795 120.400 0.148 0.000 2.277 468 D HA 0.114 4.755 4.640 0.001 0.000 0.209 468 D C 1.980 178.318 176.300 0.063 0.000 0.970 468 D CA 1.534 55.585 54.000 0.085 0.000 0.874 468 D CB 0.299 41.141 40.800 0.071 0.000 0.982 468 D HN 0.787 nan 8.370 nan 0.000 0.504 469 E N -0.216 120.005 120.200 0.036 0.000 2.744 469 E HA 0.106 4.457 4.350 0.001 0.000 0.210 469 E C -0.025 176.513 176.600 -0.103 0.000 0.950 469 E CA -0.219 56.182 56.400 0.003 0.000 1.282 469 E CB 0.548 30.268 29.700 0.033 0.000 1.123 469 E HN -0.071 nan 8.360 nan 0.000 0.544 470 I N 3.014 123.507 120.570 -0.130 0.000 2.494 470 I HA 0.181 4.352 4.170 0.001 0.000 0.289 470 I C 0.546 176.721 176.117 0.096 0.000 1.106 470 I CA -0.474 60.714 61.300 -0.187 0.000 1.369 470 I CB -0.316 37.712 38.000 0.047 0.000 1.410 470 I HN 0.207 nan 8.210 nan 0.000 0.523 471 I N 7.199 127.906 120.570 0.228 0.000 2.533 471 I HA 0.094 4.264 4.170 0.001 0.000 0.284 471 I C -0.009 176.250 176.117 0.237 0.000 1.109 471 I CA 0.057 61.491 61.300 0.223 0.000 1.412 471 I CB 0.783 38.926 38.000 0.238 0.000 1.396 471 I HN 0.401 nan 8.210 nan 0.000 0.543 472 L N 7.785 129.113 121.223 0.176 0.000 2.422 472 L HA 0.667 5.007 4.340 0.001 0.000 0.264 472 L C -1.098 175.865 176.870 0.155 0.000 0.984 472 L CA -0.469 54.477 54.840 0.177 0.000 0.819 472 L CB 2.141 44.254 42.059 0.089 0.000 1.330 472 L HN 0.254 nan 8.230 nan 0.000 0.410 473 V N 4.033 124.068 119.914 0.202 0.000 2.540 473 V HA 0.578 4.699 4.120 0.001 0.000 0.302 473 V C -0.713 175.456 176.094 0.125 0.000 1.035 473 V CA -0.803 61.586 62.300 0.148 0.000 0.873 473 V CB 1.961 33.909 31.823 0.209 0.000 0.992 473 V HN 0.790 nan 8.190 nan 0.000 0.428 474 N N 2.511 121.229 118.700 0.031 0.000 2.419 474 N HA 0.433 5.173 4.740 0.001 0.000 0.277 474 N C -0.475 174.959 175.510 -0.127 0.000 1.006 474 N CA -0.302 52.710 53.050 -0.064 0.000 0.923 474 N CB 1.697 40.092 38.487 -0.153 0.000 1.140 474 N HN 0.613 nan 8.380 nan 0.000 0.488 475 C N 0.793 120.002 119.300 -0.152 0.000 2.347 475 C HA 0.358 4.819 4.460 0.001 0.000 0.366 475 C C 2.288 177.328 174.990 0.084 0.000 1.241 475 C CA -0.749 58.254 59.018 -0.025 0.000 2.360 475 C CB -0.172 27.571 27.740 0.005 0.000 2.290 475 C HN 0.740 nan 8.230 nan 0.000 0.587 476 F N -0.289 119.607 119.950 -0.090 0.000 2.134 476 F HA -0.120 4.408 4.527 0.001 0.000 0.299 476 F C 1.766 177.565 175.800 -0.002 0.000 1.097 476 F CA 0.919 58.871 58.000 -0.080 0.000 1.264 476 F CB -0.032 38.957 39.000 -0.018 0.000 1.001 476 F HN 0.537 nan 8.300 nan 0.000 0.479 477 Q N 2.423 122.310 119.800 0.145 0.000 2.288 477 Q HA 0.174 4.515 4.340 0.001 0.000 0.258 477 Q C -2.417 173.480 176.000 -0.172 0.000 0.957 477 Q CA -2.720 52.983 55.803 -0.168 0.000 0.919 477 Q CB 0.643 29.005 28.738 -0.627 0.000 1.185 477 Q HN -0.128 nan 8.270 nan 0.000 0.408 478 P HA -0.103 nan 4.420 nan 0.000 0.266 478 P C -0.971 175.898 177.300 -0.717 0.000 1.195 478 P CA 0.460 62.973 63.100 -0.978 0.000 0.768 478 P CB 0.242 31.154 31.700 -1.314 0.000 0.838 479 Y N -1.117 119.058 120.300 -0.209 0.000 4.912 479 Y HA -0.185 4.366 4.550 0.001 0.000 0.252 479 Y C 0.224 176.151 175.900 0.045 0.000 0.965 479 Y CA 0.065 58.084 58.100 -0.135 0.000 1.978 479 Y CB -2.716 35.602 38.460 -0.238 0.000 1.477 479 Y HN 0.445 nan 8.280 nan 0.000 0.606 480 N N 1.506 120.228 118.700 0.037 0.000 2.399 480 N HA 0.406 5.147 4.740 0.001 0.000 0.280 480 N C -0.575 174.840 175.510 -0.158 0.000 1.008 480 N CA -0.414 52.673 53.050 0.061 0.000 0.894 480 N CB 1.470 40.013 38.487 0.094 0.000 1.273 480 N HN 0.309 nan 8.380 nan 0.000 0.486 481 H N -0.152 119.007 119.070 0.148 0.000 2.949 481 H HA 0.447 5.003 4.556 0.001 0.000 0.356 481 H C -0.721 174.674 175.328 0.111 0.000 1.212 481 H CA -0.612 55.509 56.048 0.122 0.000 1.136 481 H CB 2.278 32.107 29.762 0.113 0.000 1.869 481 H HN 0.305 nan 8.280 nan 0.000 0.556 482 S N 1.637 117.472 115.700 0.225 0.000 2.779 482 S HA 0.230 4.701 4.470 0.001 0.000 0.293 482 S C -0.576 174.088 174.600 0.107 0.000 1.150 482 S CA -0.613 57.651 58.200 0.106 0.000 1.057 482 S CB 1.122 64.359 63.200 0.061 0.000 1.021 482 S HN 0.359 nan 8.310 nan 0.000 0.485 483 L N 4.290 125.536 121.223 0.038 0.000 2.292 483 L HA 0.543 4.883 4.340 0.001 0.000 0.284 483 L C -1.506 175.321 176.870 -0.072 0.000 1.065 483 L CA -0.478 54.405 54.840 0.072 0.000 0.806 483 L CB 0.435 42.523 42.059 0.048 0.000 1.175 483 L HN 0.621 nan 8.230 nan 0.000 0.431 484 Y N 5.295 125.646 120.300 0.085 0.000 2.434 484 Y HA 0.311 4.862 4.550 0.001 0.000 0.341 484 Y C 0.055 176.003 175.900 0.080 0.000 0.965 484 Y CA -0.274 57.853 58.100 0.046 0.000 1.205 484 Y CB 0.984 39.464 38.460 0.034 0.000 1.121 484 Y HN 0.466 nan 8.280 nan 0.000 0.507 485 K N 4.262 124.695 120.400 0.055 0.000 2.183 485 K HA 0.318 4.639 4.320 0.001 0.000 0.274 485 K C -0.796 175.676 176.600 -0.214 0.000 1.009 485 K CA -0.988 55.298 56.287 -0.001 0.000 0.888 485 K CB 0.870 33.354 32.500 -0.027 0.000 1.078 485 K HN 0.606 nan 8.250 nan 0.000 0.459 486 L N 4.627 125.516 121.223 -0.558 0.000 2.540 486 L HA 0.031 4.372 4.340 0.001 0.000 0.276 486 L C -0.578 176.144 176.870 -0.246 0.000 1.212 486 L CA 0.520 55.047 54.840 -0.522 0.000 0.893 486 L CB 0.097 41.686 42.059 -0.784 0.000 1.138 486 L HN 0.601 nan 8.230 nan 0.000 0.491 487 N N 2.378 120.977 118.700 -0.168 0.000 2.529 487 N HA 0.242 4.983 4.740 0.001 0.000 0.278 487 N C -0.018 175.428 175.510 -0.108 0.000 1.146 487 N CA 0.090 53.086 53.050 -0.091 0.000 0.980 487 N CB 0.864 39.340 38.487 -0.019 0.000 1.124 487 N HN 0.772 nan 8.380 nan 0.000 0.458 488 T N -1.981 112.512 114.554 -0.101 0.000 2.732 488 T HA 0.149 4.499 4.350 0.001 0.000 0.287 488 T C 1.433 176.007 174.700 -0.209 0.000 0.993 488 T CA -0.347 61.675 62.100 -0.129 0.000 0.966 488 T CB 0.301 69.104 68.868 -0.108 0.000 1.047 488 T HN 0.361 nan 8.240 nan 0.000 0.527 489 T N 0.805 115.183 114.554 -0.294 0.000 2.580 489 T HA -0.147 4.204 4.350 0.001 0.000 0.265 489 T C 2.168 176.347 174.700 -0.868 0.000 1.063 489 T CA 1.855 63.610 62.100 -0.575 0.000 1.170 489 T CB -0.774 67.730 68.868 -0.606 0.000 0.863 489 T HN 0.534 nan 8.240 nan 0.000 0.418 490 V N 1.816 121.338 119.914 -0.652 0.000 2.324 490 V HA -0.251 3.870 4.120 0.001 0.000 0.250 490 V C 2.424 178.480 176.094 -0.063 0.000 1.060 490 V CA 1.894 63.991 62.300 -0.339 0.000 1.042 490 V CB -0.885 30.945 31.823 0.012 0.000 0.650 490 V HN 0.565 nan 8.190 nan 0.000 0.450 491 E N 0.397 120.557 120.200 -0.067 0.000 2.051 491 E HA -0.216 4.135 4.350 0.001 0.000 0.192 491 E C 2.190 178.912 176.600 0.203 0.000 0.991 491 E CA 1.312 57.754 56.400 0.070 0.000 0.799 491 E CB -0.326 29.420 29.700 0.078 0.000 0.748 491 E HN 0.591 nan 8.360 nan 0.000 0.449 492 N N 0.283 119.005 118.700 0.037 0.000 2.149 492 N HA -0.168 4.573 4.740 0.001 0.000 0.188 492 N C 1.491 177.126 175.510 0.208 0.000 1.019 492 N CA 0.990 54.083 53.050 0.071 0.000 0.857 492 N CB -0.189 38.233 38.487 -0.109 0.000 0.997 492 N HN 0.326 nan 8.380 nan 0.000 0.426 493 W N 0.722 122.132 121.300 0.182 0.000 2.381 493 W HA -0.032 4.629 4.660 0.001 0.000 0.301 493 W C 2.188 178.836 176.519 0.216 0.000 1.205 493 W CA -0.095 57.409 57.345 0.265 0.000 1.285 493 W CB -1.501 28.161 29.460 0.336 0.000 1.133 493 W HN -0.001 nan 8.180 nan 0.000 0.521 494 F N 0.014 120.114 119.950 0.250 0.000 2.069 494 F HA -0.277 4.250 4.527 0.001 0.000 0.298 494 F C 2.006 177.774 175.800 -0.053 0.000 1.113 494 F CA 1.789 59.791 58.000 0.003 0.000 1.214 494 F CB -0.983 37.894 39.000 -0.206 0.000 0.978 494 F HN -0.242 nan 8.300 nan 0.000 0.474 495 Y N 0.274 120.674 120.300 0.167 0.000 2.578 495 Y HA 0.076 4.627 4.550 0.001 0.000 0.297 495 Y C 0.747 176.650 175.900 0.005 0.000 1.176 495 Y CA 0.470 58.599 58.100 0.048 0.000 1.315 495 Y CB -0.546 37.999 38.460 0.143 0.000 1.031 495 Y HN 0.166 nan 8.280 nan 0.000 0.524 496 N N -1.233 117.563 118.700 0.160 0.000 2.475 496 N HA 0.071 4.812 4.740 0.001 0.000 0.272 496 N C 1.007 176.611 175.510 0.157 0.000 1.482 496 N CA 0.144 53.272 53.050 0.130 0.000 0.863 496 N CB 0.330 38.880 38.487 0.106 0.000 1.400 496 N HN 0.180 nan 8.380 nan 0.000 0.489 497 M N 0.281 119.902 119.600 0.034 0.000 2.065 497 M HA -0.097 4.384 4.480 0.001 0.000 0.259 497 M C 0.619 176.876 176.300 -0.071 0.000 1.069 497 M CA 1.579 56.848 55.300 -0.053 0.000 1.110 497 M CB -0.863 31.454 32.600 -0.471 0.000 1.328 497 M HN 0.204 nan 8.290 nan 0.000 0.405 498 H N 0.420 119.544 119.070 0.090 0.000 2.794 498 H HA 0.290 4.846 4.556 0.001 0.000 0.256 498 H C 0.693 176.073 175.328 0.085 0.000 1.637 498 H CA 0.290 56.382 56.048 0.074 0.000 1.222 498 H CB -0.174 29.609 29.762 0.034 0.000 1.545 498 H HN 0.356 nan 8.280 nan 0.000 0.518 499 S N -1.212 114.598 115.700 0.182 0.000 4.476 499 S HA -0.068 4.403 4.470 0.001 0.000 0.193 499 S C 0.273 174.919 174.600 0.077 0.000 1.131 499 S CA -0.614 57.658 58.200 0.119 0.000 1.198 499 S CB 0.986 64.240 63.200 0.090 0.000 1.566 499 S HN 0.211 nan 8.310 nan 0.000 0.507 500 E N 3.099 123.305 120.200 0.011 0.000 3.089 500 E HA -0.027 4.324 4.350 0.001 0.000 0.226 500 E C 0.401 176.995 176.600 -0.010 0.000 1.083 500 E CA 0.455 56.758 56.400 -0.162 0.000 0.938 500 E CB -0.153 29.061 29.700 -0.811 0.000 0.942 500 E HN 0.445 nan 8.360 nan 0.000 0.549 501 T N 2.712 117.269 114.554 0.006 0.000 2.652 501 T HA -0.168 4.183 4.350 0.001 0.000 0.267 501 T C 1.105 175.840 174.700 0.058 0.000 1.039 501 T CA 1.862 63.989 62.100 0.045 0.000 1.153 501 T CB 0.056 68.941 68.868 0.027 0.000 0.863 501 T HN 0.608 nan 8.240 nan 0.000 0.428 502 D N 0.154 120.562 120.400 0.014 0.000 2.562 502 D HA 0.437 5.078 4.640 0.001 0.000 0.271 502 D C 0.899 177.220 176.300 0.034 0.000 1.198 502 D CA 0.434 54.453 54.000 0.032 0.000 1.071 502 D CB -0.522 40.285 40.800 0.012 0.000 1.011 502 D HN 0.494 nan 8.370 nan 0.000 0.327 503 G N -0.544 108.253 108.800 -0.005 0.000 2.675 503 G HA2 0.137 4.097 3.960 0.001 0.000 0.686 503 G HA3 0.137 4.097 3.960 0.001 0.000 0.686 503 G C -0.014 174.985 174.900 0.165 0.000 1.215 503 G CA -0.049 45.053 45.100 0.002 0.000 0.777 503 G HN 0.897 nan 8.290 nan 0.000 0.638 504 S N 0.084 115.895 115.700 0.186 0.000 2.626 504 S HA 0.494 4.965 4.470 0.001 0.000 0.257 504 S C 1.252 175.922 174.600 0.117 0.000 1.288 504 S CA 0.541 58.830 58.200 0.149 0.000 0.980 504 S CB 1.262 64.566 63.200 0.174 0.000 0.975 504 S HN 0.733 nan 8.310 nan 0.000 0.577 505 E N -0.151 120.101 120.200 0.086 0.000 2.051 505 E HA -0.105 4.245 4.350 0.001 0.000 0.192 505 E C 1.879 178.448 176.600 -0.051 0.000 0.991 505 E CA 0.816 57.282 56.400 0.112 0.000 0.799 505 E CB -0.639 29.130 29.700 0.114 0.000 0.748 505 E HN 0.599 nan 8.360 nan 0.000 0.449 506 L N 0.647 121.769 121.223 -0.169 0.000 2.079 506 L HA -0.153 4.188 4.340 0.001 0.000 0.210 506 L C 2.219 178.711 176.870 -0.630 0.000 1.081 506 L CA 1.424 56.048 54.840 -0.361 0.000 0.752 506 L CB -0.749 41.102 42.059 -0.347 0.000 0.896 506 L HN 0.066 nan 8.230 nan 0.000 0.433 507 F N 0.486 119.924 119.950 -0.853 0.000 2.075 507 F HA -0.211 4.317 4.527 0.001 0.000 0.297 507 F C 2.319 177.849 175.800 -0.449 0.000 1.113 507 F CA 1.972 59.392 58.000 -0.968 0.000 1.218 507 F CB -0.394 38.173 39.000 -0.721 0.000 0.984 507 F HN 0.017 nan 8.300 nan 0.000 0.472 508 K N -1.052 119.063 120.400 -0.475 0.000 2.097 508 K HA -0.240 4.080 4.320 0.001 0.000 0.206 508 K C 2.042 178.424 176.600 -0.363 0.000 1.049 508 K CA 1.812 57.901 56.287 -0.329 0.000 0.933 508 K CB -0.696 31.904 32.500 0.167 0.000 0.717 508 K HN 0.452 nan 8.250 nan 0.000 0.442 509 Y N 1.610 121.452 120.300 -0.764 0.000 2.163 509 Y HA -0.172 4.379 4.550 0.001 0.000 0.288 509 Y C 1.682 177.168 175.900 -0.690 0.000 1.136 509 Y CA 1.349 58.736 58.100 -1.189 0.000 1.147 509 Y CB -0.251 37.446 38.460 -1.272 0.000 0.987 509 Y HN -0.089 nan 8.280 nan 0.000 0.509 510 L N -0.001 120.798 121.223 -0.706 0.000 2.046 510 L HA -0.220 4.121 4.340 0.001 0.000 0.208 510 L C 2.762 179.290 176.870 -0.570 0.000 1.077 510 L CA 1.776 56.242 54.840 -0.624 0.000 0.747 510 L CB -0.639 41.170 42.059 -0.416 0.000 0.896 510 L HN 0.160 nan 8.230 nan 0.000 0.432 511 R N 0.219 120.310 120.500 -0.682 0.000 2.091 511 R HA -0.189 4.152 4.340 0.001 0.000 0.238 511 R C 2.399 178.488 176.300 -0.353 0.000 1.136 511 R CA 2.155 57.919 56.100 -0.560 0.000 0.959 511 R CB -0.283 29.567 30.300 -0.749 0.000 0.856 511 R HN 0.509 nan 8.270 nan 0.000 0.437 512 T N -1.411 112.945 114.554 -0.331 0.000 2.995 512 T HA -0.057 4.294 4.350 0.001 0.000 0.269 512 T C 1.796 176.373 174.700 -0.204 0.000 1.091 512 T CA 0.534 62.523 62.100 -0.185 0.000 1.128 512 T CB -0.042 68.787 68.868 -0.064 0.000 0.891 512 T HN 0.097 nan 8.240 nan 0.000 0.492 513 L N 2.147 123.146 121.223 -0.373 0.000 2.109 513 L HA 0.154 4.495 4.340 0.001 0.000 0.207 513 L C 2.603 179.376 176.870 -0.162 0.000 1.086 513 L CA 1.415 56.061 54.840 -0.322 0.000 0.760 513 L CB -0.895 40.839 42.059 -0.541 0.000 0.910 513 L HN 0.443 nan 8.230 nan 0.000 0.437 514 N N -0.616 117.965 118.700 -0.199 0.000 2.142 514 N HA -0.161 4.580 4.740 0.001 0.000 0.186 514 N C 1.886 177.350 175.510 -0.076 0.000 1.023 514 N CA 1.112 54.080 53.050 -0.138 0.000 0.852 514 N CB -0.066 38.310 38.487 -0.185 0.000 0.998 514 N HN 0.386 nan 8.380 nan 0.000 0.424 515 G N 0.490 109.252 108.800 -0.064 0.000 2.505 515 G HA2 -0.302 3.659 3.960 0.001 0.000 0.220 515 G HA3 -0.302 3.659 3.960 0.001 0.000 0.220 515 G C 1.259 176.191 174.900 0.053 0.000 1.145 515 G CA 0.779 45.883 45.100 0.007 0.000 0.761 515 G HN 0.437 nan 8.290 nan 0.000 0.571 516 F N 2.044 121.949 119.950 -0.075 0.000 2.187 516 F HA 0.347 4.875 4.527 0.001 0.000 0.295 516 F C 2.732 178.487 175.800 -0.076 0.000 1.091 516 F CA 1.018 58.978 58.000 -0.066 0.000 1.308 516 F CB -0.306 38.645 39.000 -0.082 0.000 1.030 516 F HN 0.207 nan 8.300 nan 0.000 0.487 517 A N -0.087 122.645 122.820 -0.146 0.000 2.019 517 A HA -0.155 4.166 4.320 0.001 0.000 0.219 517 A C 2.279 179.732 177.584 -0.219 0.000 1.164 517 A CA 1.783 53.683 52.037 -0.229 0.000 0.644 517 A CB -1.355 17.593 19.000 -0.087 0.000 0.805 517 A HN 0.506 nan 8.150 nan 0.000 0.449 518 S N -0.175 115.436 115.700 -0.149 0.000 2.474 518 S HA -0.137 4.334 4.470 0.001 0.000 0.235 518 S C 1.742 176.272 174.600 -0.117 0.000 0.997 518 S CA 1.659 59.803 58.200 -0.093 0.000 0.949 518 S CB -1.176 62.006 63.200 -0.029 0.000 0.766 518 S HN 0.785 nan 8.310 nan 0.000 0.517 519 T N -0.165 114.267 114.554 -0.204 0.000 3.088 519 T HA 0.325 4.676 4.350 0.001 0.000 0.259 519 T C 0.735 175.323 174.700 -0.188 0.000 1.122 519 T CA -0.174 61.818 62.100 -0.180 0.000 1.095 519 T CB -0.551 68.200 68.868 -0.195 0.000 0.930 519 T HN 0.322 nan 8.240 nan 0.000 0.508 520 L N 2.140 123.215 121.223 -0.247 0.000 2.479 520 L HA 0.482 4.823 4.340 0.001 0.000 0.249 520 L C 0.913 177.725 176.870 -0.097 0.000 1.178 520 L CA -0.899 53.835 54.840 -0.176 0.000 0.811 520 L CB 0.704 42.635 42.059 -0.213 0.000 1.187 520 L HN 0.309 nan 8.230 nan 0.000 0.480 521 S N -1.225 114.436 115.700 -0.064 0.000 2.681 521 S HA 0.302 4.773 4.470 0.001 0.000 0.299 521 S C 0.437 175.022 174.600 -0.025 0.000 1.113 521 S CA -0.813 57.365 58.200 -0.037 0.000 1.013 521 S CB 1.497 64.680 63.200 -0.028 0.000 1.076 521 S HN 0.535 nan 8.310 nan 0.000 0.534 522 N N 1.322 120.019 118.700 -0.004 0.000 2.069 522 N HA -0.096 4.645 4.740 0.001 0.000 0.191 522 N C 0.897 176.413 175.510 0.009 0.000 1.031 522 N CA 1.903 54.962 53.050 0.015 0.000 0.852 522 N CB -0.644 37.862 38.487 0.031 0.000 1.018 522 N HN 0.713 nan 8.380 nan 0.000 0.423 523 D N -0.584 119.816 120.400 -0.000 0.000 2.182 523 D HA -0.077 4.564 4.640 0.001 0.000 0.201 523 D C 1.863 178.148 176.300 -0.025 0.000 0.986 523 D CA 0.495 54.490 54.000 -0.008 0.000 0.847 523 D CB -0.109 40.684 40.800 -0.012 0.000 0.942 523 D HN 0.049 nan 8.370 nan 0.000 0.467 524 V N 0.310 120.202 119.914 -0.035 0.000 2.323 524 V HA -0.156 3.965 4.120 0.001 0.000 0.244 524 V C 2.495 178.549 176.094 -0.068 0.000 1.041 524 V CA 0.989 63.255 62.300 -0.055 0.000 1.025 524 V CB -0.442 31.349 31.823 -0.054 0.000 0.656 524 V HN 0.212 nan 8.190 nan 0.000 0.451 525 L N -0.302 120.890 121.223 -0.051 0.000 2.042 525 L HA -0.210 4.131 4.340 0.001 0.000 0.210 525 L C 2.827 179.679 176.870 -0.031 0.000 1.076 525 L CA 1.799 56.610 54.840 -0.048 0.000 0.749 525 L CB -0.611 41.436 42.059 -0.020 0.000 0.893 525 L HN 0.270 nan 8.230 nan 0.000 0.432 526 R N -0.122 120.382 120.500 0.006 0.000 2.081 526 R HA -0.149 4.192 4.340 0.001 0.000 0.235 526 R C 2.562 178.839 176.300 -0.040 0.000 1.131 526 R CA 1.685 57.804 56.100 0.032 0.000 0.960 526 R CB -0.593 29.736 30.300 0.049 0.000 0.856 526 R HN 0.485 nan 8.270 nan 0.000 0.436 527 S N 0.683 116.340 115.700 -0.071 0.000 2.423 527 S HA -0.075 4.396 4.470 0.001 0.000 0.231 527 S C 1.994 176.477 174.600 -0.195 0.000 1.014 527 S CA 0.851 58.986 58.200 -0.107 0.000 0.965 527 S CB -0.284 62.860 63.200 -0.093 0.000 0.785 527 S HN 0.232 nan 8.310 nan 0.000 0.495 528 I N 1.238 121.657 120.570 -0.253 0.000 2.333 528 I HA -0.079 4.092 4.170 0.001 0.000 0.246 528 I C 2.958 178.639 176.117 -0.725 0.000 1.106 528 I CA 1.076 62.072 61.300 -0.507 0.000 1.411 528 I CB -0.469 37.272 38.000 -0.431 0.000 1.082 528 I HN 0.395 nan 8.210 nan 0.000 0.420 529 S N 0.980 116.492 115.700 -0.313 0.000 2.356 529 S HA -0.254 4.217 4.470 0.001 0.000 0.223 529 S C 2.079 176.627 174.600 -0.086 0.000 1.032 529 S CA 1.875 60.051 58.200 -0.040 0.000 1.005 529 S CB -0.118 63.229 63.200 0.245 0.000 0.867 529 S HN 0.223 nan 8.310 nan 0.000 0.449 530 K N 1.450 121.752 120.400 -0.164 0.000 2.063 530 K HA -0.051 4.270 4.320 0.001 0.000 0.208 530 K C 2.039 178.574 176.600 -0.108 0.000 1.048 530 K CA 1.478 57.672 56.287 -0.154 0.000 0.928 530 K CB -0.241 32.189 32.500 -0.117 0.000 0.713 530 K HN 0.106 nan 8.250 nan 0.000 0.442 531 K N -0.236 120.044 120.400 -0.200 0.000 2.097 531 K HA -0.082 4.239 4.320 0.001 0.000 0.206 531 K C 2.025 178.622 176.600 -0.005 0.000 1.049 531 K CA 1.182 57.379 56.287 -0.151 0.000 0.933 531 K CB -0.389 31.952 32.500 -0.265 0.000 0.717 531 K HN 0.175 nan 8.250 nan 0.000 0.442 532 F N 1.228 121.160 119.950 -0.029 0.000 2.234 532 F HA -0.061 4.467 4.527 0.001 0.000 0.299 532 F C 2.216 178.087 175.800 0.118 0.000 1.087 532 F CA 0.578 58.558 58.000 -0.032 0.000 1.340 532 F CB -0.980 37.813 39.000 -0.344 0.000 1.031 532 F HN -0.090 nan 8.300 nan 0.000 0.500 533 L N -0.492 120.922 121.223 0.319 0.000 2.141 533 L HA -0.180 4.161 4.340 0.001 0.000 0.209 533 L C 1.987 178.998 176.870 0.235 0.000 1.094 533 L CA 1.056 56.082 54.840 0.311 0.000 0.763 533 L CB -0.605 41.504 42.059 0.084 0.000 0.908 533 L HN 0.025 nan 8.230 nan 0.000 0.437 534 D N 0.310 120.798 120.400 0.146 0.000 2.178 534 D HA -0.126 4.515 4.640 0.001 0.000 0.202 534 D C 2.269 178.639 176.300 0.117 0.000 0.974 534 D CA 1.130 55.196 54.000 0.110 0.000 0.841 534 D CB 0.044 40.885 40.800 0.068 0.000 0.953 534 D HN 0.342 nan 8.370 nan 0.000 0.478 535 I N 0.780 121.442 120.570 0.153 0.000 2.226 535 I HA -0.217 3.954 4.170 0.001 0.000 0.245 535 I C 2.132 178.296 176.117 0.078 0.000 1.100 535 I CA 0.607 61.984 61.300 0.129 0.000 1.374 535 I CB 0.016 38.124 38.000 0.179 0.000 1.057 535 I HN -0.022 nan 8.210 nan 0.000 0.413 536 I N 0.624 121.244 120.570 0.083 0.000 2.500 536 I HA -0.166 4.005 4.170 0.001 0.000 0.252 536 I C 2.699 178.788 176.117 -0.046 0.000 1.142 536 I CA 1.807 63.082 61.300 -0.043 0.000 1.451 536 I CB -1.469 36.411 38.000 -0.201 0.000 1.093 536 I HN 0.367 nan 8.210 nan 0.000 0.430 537 T N -1.961 112.634 114.554 0.067 0.000 3.043 537 T HA 0.197 4.547 4.350 0.001 0.000 0.263 537 T C 1.647 176.380 174.700 0.056 0.000 1.094 537 T CA 0.887 63.039 62.100 0.087 0.000 1.127 537 T CB 0.184 69.144 68.868 0.154 0.000 0.905 537 T HN 0.446 nan 8.240 nan 0.000 0.490 538 G N 1.097 109.927 108.800 0.050 0.000 2.179 538 G HA2 -0.246 3.715 3.960 0.001 0.000 0.220 538 G HA3 -0.246 3.715 3.960 0.001 0.000 0.220 538 G C 0.624 175.549 174.900 0.042 0.000 0.990 538 G CA 0.297 45.419 45.100 0.038 0.000 0.646 538 G HN 0.517 nan 8.290 nan 0.000 0.517 539 E N -0.531 119.700 120.200 0.051 0.000 2.265 539 E HA 0.069 4.420 4.350 0.001 0.000 0.196 539 E C 0.911 177.535 176.600 0.040 0.000 0.996 539 E CA 0.467 56.893 56.400 0.042 0.000 0.832 539 E CB 0.017 29.742 29.700 0.042 0.000 0.756 539 E HN 0.519 nan 8.360 nan 0.000 0.491 540 L N 1.940 123.193 121.223 0.050 0.000 2.297 540 L HA 0.288 4.629 4.340 0.001 0.000 0.277 540 L C -2.356 174.538 176.870 0.041 0.000 1.040 540 L CA -2.335 52.537 54.840 0.052 0.000 0.867 540 L CB 1.045 43.149 42.059 0.076 0.000 1.244 540 L HN -0.233 nan 8.230 nan 0.000 0.433 541 P HA -0.164 nan 4.420 nan 0.000 0.261 541 P C 0.246 177.555 177.300 0.014 0.000 1.158 541 P CA 0.479 63.591 63.100 0.020 0.000 0.758 541 P CB 0.607 32.317 31.700 0.016 0.000 0.763 542 D N 2.329 122.734 120.400 0.008 0.000 2.309 542 D HA -0.150 4.491 4.640 0.001 0.000 0.212 542 D C 1.651 177.947 176.300 -0.007 0.000 0.968 542 D CA 1.596 55.595 54.000 -0.002 0.000 0.882 542 D CB -0.046 40.751 40.800 -0.005 0.000 0.918 542 D HN 0.321 nan 8.370 nan 0.000 0.503 543 S N -0.776 114.923 115.700 -0.003 0.000 2.402 543 S HA -0.116 4.355 4.470 0.001 0.000 0.229 543 S C 1.133 175.728 174.600 -0.008 0.000 1.021 543 S CA 0.177 58.374 58.200 -0.005 0.000 0.974 543 S CB -0.497 62.702 63.200 -0.001 0.000 0.800 543 S HN 0.212 nan 8.310 nan 0.000 0.484 544 M N 2.612 122.209 119.600 -0.005 0.000 2.232 544 M HA 0.181 4.661 4.480 0.001 0.000 0.321 544 M C 0.745 177.029 176.300 -0.028 0.000 1.101 544 M CA 0.016 55.311 55.300 -0.008 0.000 1.181 544 M CB 0.520 33.123 32.600 0.006 0.000 1.432 544 M HN 0.387 nan 8.290 nan 0.000 0.457 545 T N -1.778 112.754 114.554 -0.037 0.000 2.913 545 T HA 0.193 4.544 4.350 0.001 0.000 0.287 545 T C 0.970 175.601 174.700 -0.114 0.000 1.008 545 T CA -0.762 61.298 62.100 -0.066 0.000 1.067 545 T CB 1.132 69.966 68.868 -0.056 0.000 0.996 545 T HN 0.685 nan 8.240 nan 0.000 0.513 546 T N 1.798 116.240 114.554 -0.186 0.000 2.665 546 T HA -0.142 4.209 4.350 0.001 0.000 0.268 546 T C 2.082 176.518 174.700 -0.439 0.000 1.035 546 T CA 1.673 63.548 62.100 -0.375 0.000 1.151 546 T CB -0.521 68.078 68.868 -0.447 0.000 0.862 546 T HN 0.544 nan 8.240 nan 0.000 0.438 547 V N 1.394 121.153 119.914 -0.258 0.000 2.469 547 V HA -0.199 3.921 4.120 0.001 0.000 0.251 547 V C 2.421 178.504 176.094 -0.019 0.000 1.064 547 V CA 1.683 63.909 62.300 -0.123 0.000 1.066 547 V CB -0.651 31.142 31.823 -0.049 0.000 0.667 547 V HN 0.572 nan 8.190 nan 0.000 0.461 548 E N 0.063 120.248 120.200 -0.025 0.000 2.072 548 E HA -0.196 4.155 4.350 0.001 0.000 0.190 548 E C 2.309 178.959 176.600 0.083 0.000 0.982 548 E CA 1.120 57.538 56.400 0.029 0.000 0.803 548 E CB -0.119 29.588 29.700 0.012 0.000 0.755 548 E HN 0.615 nan 8.360 nan 0.000 0.453 549 K N 0.182 120.630 120.400 0.080 0.000 2.057 549 K HA -0.106 4.215 4.320 0.001 0.000 0.207 549 K C 1.924 178.749 176.600 0.375 0.000 1.049 549 K CA 1.069 57.466 56.287 0.183 0.000 0.931 549 K CB -0.147 32.456 32.500 0.171 0.000 0.714 549 K HN 0.036 nan 8.250 nan 0.000 0.440 550 F N 1.704 121.714 119.950 0.099 0.000 2.216 550 F HA -0.130 4.397 4.527 0.001 0.000 0.300 550 F C 2.411 178.287 175.800 0.127 0.000 1.085 550 F CA 0.977 59.055 58.000 0.129 0.000 1.326 550 F CB -1.186 37.879 39.000 0.107 0.000 1.027 550 F HN 0.011 nan 8.300 nan 0.000 0.497 551 T N -0.756 113.973 114.554 0.291 0.000 2.737 551 T HA -0.184 4.167 4.350 0.001 0.000 0.265 551 T C 1.886 176.720 174.700 0.224 0.000 1.038 551 T CA 1.471 63.696 62.100 0.208 0.000 1.144 551 T CB -0.330 68.615 68.868 0.127 0.000 0.866 551 T HN 0.254 nan 8.240 nan 0.000 0.434 552 D N 1.206 121.713 120.400 0.178 0.000 2.092 552 D HA -0.102 4.539 4.640 0.001 0.000 0.193 552 D C 2.160 178.532 176.300 0.120 0.000 0.994 552 D CA 1.091 55.169 54.000 0.130 0.000 0.828 552 D CB -0.253 40.610 40.800 0.104 0.000 0.963 552 D HN 0.341 nan 8.370 nan 0.000 0.450 553 I N 0.092 120.745 120.570 0.138 0.000 2.163 553 I HA -0.271 3.900 4.170 0.001 0.000 0.243 553 I C 2.446 178.607 176.117 0.073 0.000 1.085 553 I CA 0.886 62.221 61.300 0.059 0.000 1.347 553 I CB -0.417 37.604 38.000 0.034 0.000 1.044 553 I HN 0.023 nan 8.210 nan 0.000 0.408 554 F N 2.015 121.975 119.950 0.017 0.000 2.026 554 F HA -0.272 4.255 4.527 0.001 0.000 0.296 554 F C 2.519 178.336 175.800 0.028 0.000 1.133 554 F CA 1.877 59.891 58.000 0.024 0.000 1.188 554 F CB -0.365 38.661 39.000 0.043 0.000 0.968 554 F HN -0.184 nan 8.300 nan 0.000 0.476 555 K N -0.050 120.417 120.400 0.112 0.000 2.063 555 K HA -0.201 4.120 4.320 0.001 0.000 0.208 555 K C 1.723 178.257 176.600 -0.109 0.000 1.048 555 K CA 1.668 57.936 56.287 -0.033 0.000 0.928 555 K CB -0.336 32.229 32.500 0.108 0.000 0.713 555 K HN 0.332 nan 8.250 nan 0.000 0.442 556 N N -0.350 118.315 118.700 -0.059 0.000 2.416 556 N HA -0.041 4.700 4.740 0.001 0.000 0.177 556 N C 1.424 176.873 175.510 -0.102 0.000 1.036 556 N CA 0.888 53.897 53.050 -0.068 0.000 0.901 556 N CB 0.155 38.620 38.487 -0.037 0.000 0.976 556 N HN 0.236 nan 8.380 nan 0.000 0.444 557 C N -0.789 118.432 119.300 -0.132 0.000 2.426 557 C HA 0.348 4.809 4.460 0.001 0.000 0.436 557 C C 2.491 177.389 174.990 -0.152 0.000 1.380 557 C CA -0.293 58.644 59.018 -0.136 0.000 2.446 557 C CB -0.483 27.172 27.740 -0.140 0.000 2.794 557 C HN 0.240 nan 8.230 nan 0.000 0.559 558 L N 0.700 121.792 121.223 -0.218 0.000 2.298 558 L HA 0.124 4.465 4.340 0.001 0.000 0.209 558 L C 1.054 177.739 176.870 -0.309 0.000 1.084 558 L CA 0.530 55.275 54.840 -0.159 0.000 0.816 558 L CB -0.277 41.773 42.059 -0.016 0.000 0.967 558 L HN 0.385 nan 8.230 nan 0.000 0.460 559 E N 1.442 121.178 120.200 -0.772 0.000 2.558 559 E HA -0.161 4.189 4.350 0.001 0.000 0.255 559 E C 0.082 176.465 176.600 -0.362 0.000 0.968 559 E CA 0.207 56.199 56.400 -0.681 0.000 0.939 559 E CB 0.183 29.518 29.700 -0.608 0.000 0.921 559 E HN 0.223 nan 8.360 nan 0.000 0.477 560 N N 3.192 121.668 118.700 -0.374 0.000 2.828 560 N HA -0.186 4.554 4.740 0.001 0.000 0.248 560 N C -0.290 175.075 175.510 -0.241 0.000 1.044 560 N CA 0.861 53.738 53.050 -0.288 0.000 0.851 560 N CB -0.665 37.712 38.487 -0.183 0.000 1.136 560 N HN 0.588 nan 8.380 nan 0.000 0.572 561 Q N -0.643 119.018 119.800 -0.231 0.000 2.179 561 Q HA 0.287 4.627 4.340 0.001 0.000 0.213 561 Q C 0.118 176.155 176.000 0.062 0.000 0.833 561 Q CA 0.209 55.970 55.803 -0.070 0.000 0.990 561 Q CB 0.231 28.955 28.738 -0.024 0.000 1.132 561 Q HN 0.571 nan 8.270 nan 0.000 0.493 562 F N -2.185 117.745 119.950 -0.033 0.000 2.686 562 F HA 0.554 5.081 4.527 0.001 0.000 0.311 562 F C -0.686 175.143 175.800 0.047 0.000 1.128 562 F CA -1.371 56.625 58.000 -0.006 0.000 0.946 562 F CB 0.849 39.879 39.000 0.050 0.000 1.336 562 F HN -0.366 nan 8.300 nan 0.000 0.457 563 E N 2.142 122.517 120.200 0.292 0.000 2.223 563 E HA 0.137 4.488 4.350 0.001 0.000 0.282 563 E C 0.866 177.685 176.600 0.364 0.000 1.046 563 E CA -0.162 56.354 56.400 0.193 0.000 0.857 563 E CB 1.820 31.612 29.700 0.154 0.000 1.055 563 E HN 0.828 nan 8.360 nan 0.000 0.409 564 I N 3.641 124.321 120.570 0.182 0.000 2.423 564 I HA -0.273 3.898 4.170 0.001 0.000 0.254 564 I C 2.111 178.370 176.117 0.237 0.000 1.151 564 I CA 1.721 63.171 61.300 0.250 0.000 1.421 564 I CB -0.408 37.648 38.000 0.094 0.000 1.079 564 I HN 0.548 nan 8.210 nan 0.000 0.431 565 T N 0.423 115.086 114.554 0.181 0.000 2.684 565 T HA -0.199 4.152 4.350 0.001 0.000 0.267 565 T C 1.874 176.689 174.700 0.191 0.000 1.036 565 T CA 2.071 64.260 62.100 0.149 0.000 1.148 565 T CB -0.354 68.579 68.868 0.108 0.000 0.863 565 T HN 0.456 nan 8.240 nan 0.000 0.436 566 N N 1.089 119.946 118.700 0.262 0.000 2.289 566 N HA -0.049 4.692 4.740 0.001 0.000 0.184 566 N C 1.784 177.490 175.510 0.327 0.000 1.016 566 N CA 0.832 54.077 53.050 0.324 0.000 0.872 566 N CB -0.505 38.221 38.487 0.400 0.000 0.973 566 N HN 0.363 nan 8.380 nan 0.000 0.433 567 L N 1.587 122.989 121.223 0.298 0.000 2.093 567 L HA -0.104 4.237 4.340 0.001 0.000 0.208 567 L C 2.193 179.143 176.870 0.134 0.000 1.085 567 L CA 1.661 56.521 54.840 0.033 0.000 0.755 567 L CB -0.419 41.729 42.059 0.148 0.000 0.904 567 L HN -0.086 nan 8.230 nan 0.000 0.435 568 K N 0.360 120.861 120.400 0.167 0.000 2.026 568 K HA -0.122 4.198 4.320 0.001 0.000 0.208 568 K C 1.901 178.591 176.600 0.151 0.000 1.048 568 K CA 2.106 58.493 56.287 0.167 0.000 0.929 568 K CB -0.586 31.990 32.500 0.127 0.000 0.713 568 K HN 0.442 nan 8.250 nan 0.000 0.439 569 I N 0.642 121.284 120.570 0.120 0.000 2.163 569 I HA -0.276 3.895 4.170 0.001 0.000 0.243 569 I C 2.243 178.390 176.117 0.051 0.000 1.085 569 I CA 1.066 62.415 61.300 0.082 0.000 1.347 569 I CB -0.476 37.582 38.000 0.098 0.000 1.044 569 I HN 0.214 nan 8.210 nan 0.000 0.408 570 L N 0.793 122.048 121.223 0.054 0.000 1.994 570 L HA -0.242 4.099 4.340 0.001 0.000 0.208 570 L C 2.375 179.197 176.870 -0.081 0.000 1.071 570 L CA 1.834 56.664 54.840 -0.016 0.000 0.745 570 L CB -1.052 40.924 42.059 -0.138 0.000 0.892 570 L HN 0.167 nan 8.230 nan 0.000 0.431 571 F N 0.826 120.653 119.950 -0.206 0.000 2.120 571 F HA -0.272 4.256 4.527 0.001 0.000 0.300 571 F C 2.156 177.788 175.800 -0.279 0.000 1.095 571 F CA 2.154 59.903 58.000 -0.420 0.000 1.249 571 F CB -0.537 38.309 39.000 -0.257 0.000 0.995 571 F HN 0.262 nan 8.300 nan 0.000 0.480 572 D N 0.405 120.692 120.400 -0.187 0.000 2.077 572 D HA -0.190 4.451 4.640 0.001 0.000 0.193 572 D C 2.184 178.317 176.300 -0.277 0.000 0.989 572 D CA 1.872 55.727 54.000 -0.242 0.000 0.831 572 D CB -0.676 40.082 40.800 -0.070 0.000 0.979 572 D HN 0.467 nan 8.370 nan 0.000 0.449 573 E N 0.231 120.330 120.200 -0.168 0.000 2.130 573 E HA -0.191 4.159 4.350 0.001 0.000 0.196 573 E C 2.164 178.690 176.600 -0.123 0.000 0.998 573 E CA 0.409 56.727 56.400 -0.137 0.000 0.806 573 E CB -0.118 29.573 29.700 -0.015 0.000 0.738 573 E HN 0.087 nan 8.360 nan 0.000 0.459 574 L N 1.548 122.705 121.223 -0.110 0.000 2.079 574 L HA -0.199 4.142 4.340 0.001 0.000 0.210 574 L C 1.524 178.316 176.870 -0.130 0.000 1.081 574 L CA 1.733 56.569 54.840 -0.007 0.000 0.752 574 L CB -0.653 41.228 42.059 -0.296 0.000 0.896 574 L HN 0.062 nan 8.230 nan 0.000 0.433 575 N N -1.270 117.196 118.700 -0.389 0.000 2.443 575 N HA -0.137 4.604 4.740 0.001 0.000 0.184 575 N C 1.500 176.826 175.510 -0.307 0.000 1.037 575 N CA 1.027 53.852 53.050 -0.376 0.000 0.896 575 N CB -0.156 38.047 38.487 -0.474 0.000 0.959 575 N HN 0.430 nan 8.380 nan 0.000 0.442 576 S N -0.830 114.610 115.700 -0.433 0.000 2.671 576 S HA 0.175 4.646 4.470 0.001 0.000 0.220 576 S C -0.118 174.101 174.600 -0.635 0.000 0.951 576 S CA -0.338 57.541 58.200 -0.536 0.000 0.932 576 S CB -0.307 62.504 63.200 -0.648 0.000 0.777 576 S HN 0.005 nan 8.310 nan 0.000 0.508 577 F N 1.429 121.302 119.950 -0.128 0.000 2.508 577 F HA 0.448 4.976 4.527 0.001 0.000 0.325 577 F C 0.343 176.064 175.800 -0.132 0.000 1.090 577 F CA -1.751 56.173 58.000 -0.126 0.000 0.945 577 F CB 1.257 40.179 39.000 -0.131 0.000 1.156 577 F HN -0.030 nan 8.300 nan 0.000 0.463 578 D N 3.270 123.724 120.400 0.090 0.000 2.994 578 D HA 0.161 4.802 4.640 0.001 0.000 0.240 578 D C 1.671 177.968 176.300 -0.006 0.000 1.195 578 D CA 0.338 54.353 54.000 0.025 0.000 0.957 578 D CB -0.414 40.394 40.800 0.013 0.000 1.105 578 D HN 0.542 nan 8.370 nan 0.000 0.477 579 I N 0.992 121.542 120.570 -0.032 0.000 2.404 579 I HA -0.393 3.778 4.170 0.001 0.000 0.236 579 I C -0.624 175.493 176.117 -0.000 0.000 0.953 579 I CA 1.706 62.927 61.300 -0.132 0.000 1.253 579 I CB -1.422 36.532 38.000 -0.077 0.000 0.960 579 I HN 0.314 nan 8.210 nan 0.000 0.402 580 P HA -0.140 nan 4.420 nan 0.000 0.215 580 P C 1.944 179.299 177.300 0.091 0.000 1.157 580 P CA 1.402 64.637 63.100 0.224 0.000 0.874 580 P CB 0.019 31.785 31.700 0.111 0.000 0.790 581 V N -0.516 119.412 119.914 0.024 0.000 2.295 581 V HA -0.212 3.909 4.120 0.001 0.000 0.246 581 V C 2.460 178.522 176.094 -0.053 0.000 1.049 581 V CA 1.836 64.135 62.300 -0.002 0.000 1.024 581 V CB -1.206 30.614 31.823 -0.004 0.000 0.648 581 V HN -0.044 nan 8.190 nan 0.000 0.447 582 V N -0.301 119.527 119.914 -0.143 0.000 2.261 582 V HA -0.274 3.846 4.120 0.001 0.000 0.246 582 V C 2.311 178.248 176.094 -0.260 0.000 1.047 582 V CA 2.098 64.241 62.300 -0.262 0.000 1.015 582 V CB -0.575 30.913 31.823 -0.558 0.000 0.642 582 V HN 0.439 nan 8.190 nan 0.000 0.446 583 L N 0.305 121.351 121.223 -0.296 0.000 2.131 583 L HA -0.183 4.158 4.340 0.001 0.000 0.210 583 L C 2.538 179.250 176.870 -0.263 0.000 1.092 583 L CA 1.528 56.196 54.840 -0.286 0.000 0.759 583 L CB -0.695 41.180 42.059 -0.307 0.000 0.903 583 L HN 0.468 nan 8.230 nan 0.000 0.435 584 N N 0.253 118.881 118.700 -0.121 0.000 2.142 584 N HA -0.229 4.511 4.740 0.001 0.000 0.186 584 N C 1.527 177.047 175.510 0.016 0.000 1.023 584 N CA 1.796 54.859 53.050 0.021 0.000 0.852 584 N CB 0.092 38.642 38.487 0.104 0.000 0.998 584 N HN 0.317 nan 8.380 nan 0.000 0.424 585 D N 0.205 120.605 120.400 -0.000 0.000 2.123 585 D HA -0.108 4.533 4.640 0.001 0.000 0.200 585 D C 2.128 178.458 176.300 0.050 0.000 0.976 585 D CA 0.426 54.447 54.000 0.035 0.000 0.831 585 D CB -0.110 40.717 40.800 0.044 0.000 0.974 585 D HN 0.188 nan 8.370 nan 0.000 0.469 586 L N 0.300 121.533 121.223 0.016 0.000 2.005 586 L HA -0.005 4.336 4.340 0.001 0.000 0.207 586 L C 2.136 179.014 176.870 0.013 0.000 1.072 586 L CA 1.612 56.478 54.840 0.044 0.000 0.744 586 L CB -0.445 41.623 42.059 0.014 0.000 0.895 586 L HN 0.147 nan 8.230 nan 0.000 0.433 587 I N -0.243 120.308 120.570 -0.032 0.000 2.500 587 I HA -0.157 4.013 4.170 0.001 0.000 0.252 587 I C 1.312 177.449 176.117 0.033 0.000 1.142 587 I CA 0.776 62.066 61.300 -0.016 0.000 1.451 587 I CB -0.401 37.577 38.000 -0.037 0.000 1.093 587 I HN 0.376 nan 8.210 nan 0.000 0.430 588 N N 0.301 119.030 118.700 0.048 0.000 2.254 588 N HA 0.050 4.791 4.740 0.001 0.000 0.190 588 N C 0.929 176.468 175.510 0.048 0.000 1.107 588 N CA 0.345 53.429 53.050 0.056 0.000 0.869 588 N CB 0.273 38.802 38.487 0.069 0.000 0.983 588 N HN 0.406 nan 8.380 nan 0.000 0.487 589 N N 0.097 118.829 118.700 0.053 0.000 2.782 589 N HA 0.038 4.779 4.740 0.001 0.000 0.244 589 N C 1.519 177.067 175.510 0.063 0.000 1.029 589 N CA 0.340 53.422 53.050 0.054 0.000 0.999 589 N CB -0.131 38.394 38.487 0.062 0.000 1.634 589 N HN -0.093 nan 8.380 nan 0.000 0.478 590 Q N 1.191 121.041 119.800 0.083 0.000 1.965 590 Q HA 0.175 4.515 4.340 0.001 0.000 0.200 590 Q C 2.172 178.212 176.000 0.068 0.000 0.981 590 Q CA 1.559 57.414 55.803 0.086 0.000 0.834 590 Q CB -0.244 28.591 28.738 0.163 0.000 0.900 590 Q HN 0.298 nan 8.270 nan 0.000 0.426 591 M N -0.174 119.430 119.600 0.007 0.000 2.098 591 M HA -0.077 4.403 4.480 0.001 0.000 0.262 591 M C 0.378 176.787 176.300 0.183 0.000 1.072 591 M CA 1.066 56.319 55.300 -0.079 0.000 1.133 591 M CB -0.020 32.452 32.600 -0.213 0.000 1.344 591 M HN -0.117 nan 8.290 nan 0.000 0.414 592 K N 2.121 122.612 120.400 0.153 0.000 2.315 592 K HA 0.166 4.487 4.320 0.001 0.000 0.291 592 K C -2.065 174.615 176.600 0.134 0.000 1.074 592 K CA -1.352 55.060 56.287 0.208 0.000 0.936 592 K CB 0.384 32.958 32.500 0.124 0.000 1.049 592 K HN 0.056 nan 8.250 nan 0.000 0.471 593 P HA -0.006 nan 4.420 nan 0.000 0.286 593 P C 0.072 177.344 177.300 -0.046 0.000 1.278 593 P CA -0.295 62.840 63.100 0.058 0.000 0.785 593 P CB 0.502 32.248 31.700 0.077 0.000 1.269 594 G N -1.478 107.227 108.800 -0.159 0.000 2.630 594 G HA2 0.548 4.508 3.960 0.001 0.000 0.296 594 G HA3 0.548 4.508 3.960 0.001 0.000 0.296 594 G C -0.784 173.654 174.900 -0.769 0.000 1.285 594 G CA -0.768 44.143 45.100 -0.315 0.000 0.958 594 G HN 0.266 nan 8.290 nan 0.000 0.479 595 I N -0.001 120.241 120.570 -0.547 0.000 2.813 595 I HA 0.229 4.400 4.170 0.001 0.000 0.287 595 I C -0.521 175.236 176.117 -0.601 0.000 1.196 595 I CA 0.185 61.159 61.300 -0.542 0.000 1.421 595 I CB 0.194 38.086 38.000 -0.180 0.000 1.365 595 I HN 0.126 nan 8.210 nan 0.000 0.591 596 F N 4.489 124.479 119.950 0.066 0.000 2.449 596 F HA 0.307 4.835 4.527 0.001 0.000 0.342 596 F C -0.400 175.595 175.800 0.325 0.000 1.127 596 F CA -0.923 57.153 58.000 0.127 0.000 0.975 596 F CB 0.953 40.093 39.000 0.233 0.000 1.146 596 F HN 0.401 nan 8.300 nan 0.000 0.444 597 W N 3.501 124.990 121.300 0.315 0.000 2.676 597 W HA 0.302 4.962 4.660 0.001 0.000 0.430 597 W C 0.250 176.916 176.519 0.245 0.000 0.690 597 W CA -1.459 56.018 57.345 0.220 0.000 2.297 597 W CB -0.432 29.115 29.460 0.145 0.000 1.361 597 W HN 0.573 nan 8.180 nan 0.000 0.800 598 K N 1.584 122.306 120.400 0.538 0.000 5.728 598 K HA -0.248 4.073 4.320 0.001 0.000 0.427 598 K C 0.035 176.813 176.600 0.297 0.000 1.056 598 K CA 0.644 57.229 56.287 0.497 0.000 1.274 598 K CB -0.491 32.273 32.500 0.441 0.000 1.831 598 K HN 0.222 nan 8.250 nan 0.000 0.384 599 K N 3.464 123.941 120.400 0.129 0.000 2.502 599 K HA 0.027 4.347 4.320 0.001 0.000 0.244 599 K C -0.822 175.340 176.600 -0.731 0.000 1.249 599 K CA -0.286 55.860 56.287 -0.234 0.000 1.193 599 K CB 0.060 32.440 32.500 -0.200 0.000 1.674 599 K HN 0.489 nan 8.250 nan 0.000 0.302 600 D N 1.288 121.489 120.400 -0.332 0.000 4.755 600 D HA -0.224 4.417 4.640 0.001 0.000 0.197 600 D C -1.072 174.927 176.300 -0.502 0.000 1.031 600 D CA 1.321 55.176 54.000 -0.242 0.000 1.058 600 D CB -0.395 40.347 40.800 -0.097 0.000 0.992 600 D HN 0.268 nan 8.370 nan 0.000 0.549 601 F N 3.310 123.246 119.950 -0.022 0.000 2.564 601 F HA 0.283 4.811 4.527 0.001 0.000 0.361 601 F C 0.358 176.123 175.800 -0.059 0.000 1.161 601 F CA -1.323 56.587 58.000 -0.149 0.000 1.198 601 F CB 0.546 39.286 39.000 -0.434 0.000 1.424 601 F HN 0.072 nan 8.300 nan 0.000 0.517 602 I N 1.208 121.859 120.570 0.135 0.000 3.475 602 I HA -0.242 3.929 4.170 0.001 0.000 0.350 602 I C 0.987 177.204 176.117 0.166 0.000 1.223 602 I CA 0.675 62.071 61.300 0.159 0.000 1.517 602 I CB -0.833 37.271 38.000 0.174 0.000 1.308 602 I HN 0.494 nan 8.210 nan 0.000 0.465 603 S N 5.833 121.687 115.700 0.258 0.000 2.465 603 S HA 0.432 4.903 4.470 0.001 0.000 0.280 603 S C 0.548 175.238 174.600 0.149 0.000 1.232 603 S CA -0.624 57.758 58.200 0.302 0.000 1.066 603 S CB 0.200 63.564 63.200 0.273 0.000 0.929 603 S HN 0.733 nan 8.310 nan 0.000 0.494 604 A N 4.696 127.598 122.820 0.137 0.000 2.454 604 A HA 0.331 4.652 4.320 0.001 0.000 0.260 604 A C 1.199 178.806 177.584 0.038 0.000 1.106 604 A CA -0.458 51.630 52.037 0.084 0.000 0.780 604 A CB -0.254 18.803 19.000 0.096 0.000 1.044 604 A HN 1.028 nan 8.150 nan 0.000 0.498 605 I N 0.344 120.894 120.570 -0.034 0.000 2.761 605 I HA 0.209 4.380 4.170 0.001 0.000 0.261 605 I C 0.676 176.684 176.117 -0.182 0.000 1.198 605 I CA 0.984 62.184 61.300 -0.166 0.000 1.482 605 I CB -0.328 37.605 38.000 -0.112 0.000 1.100 605 I HN 0.525 nan 8.210 nan 0.000 0.445 606 K N 0.188 120.609 120.400 0.035 0.000 2.512 606 K HA 0.297 4.618 4.320 0.001 0.000 0.263 606 K C -1.258 175.549 176.600 0.344 0.000 0.966 606 K CA -0.999 55.409 56.287 0.201 0.000 0.851 606 K CB 1.653 34.228 32.500 0.126 0.000 1.395 606 K HN -0.103 nan 8.250 nan 0.000 0.440 607 F N 3.130 123.257 119.950 0.294 0.000 2.557 607 F HA 0.072 4.600 4.527 0.001 0.000 0.384 607 F C 0.013 175.934 175.800 0.203 0.000 1.057 607 F CA 0.092 58.236 58.000 0.240 0.000 1.169 607 F CB 0.357 39.482 39.000 0.207 0.000 1.070 607 F HN 0.388 nan 8.300 nan 0.000 0.554 608 D N 5.292 125.420 120.400 -0.453 0.000 2.467 608 D HA 0.193 4.834 4.640 0.001 0.000 0.220 608 D C 1.185 177.026 176.300 -0.765 0.000 1.103 608 D CA 0.162 53.915 54.000 -0.411 0.000 0.886 608 D CB 1.274 41.967 40.800 -0.178 0.000 1.025 608 D HN 0.813 nan 8.370 nan 0.000 0.514 609 G N 3.049 111.411 108.800 -0.729 0.000 2.442 609 G HA2 -0.313 3.648 3.960 0.001 0.000 0.219 609 G HA3 -0.313 3.648 3.960 0.001 0.000 0.219 609 G C 1.187 176.038 174.900 -0.081 0.000 1.141 609 G CA 0.291 45.139 45.100 -0.420 0.000 0.763 609 G HN 0.517 nan 8.290 nan 0.000 0.554 610 F N 2.737 122.589 119.950 -0.162 0.000 2.051 610 F HA -0.126 4.401 4.527 0.001 0.000 0.296 610 F C 3.042 178.772 175.800 -0.117 0.000 1.122 610 F CA 2.376 60.297 58.000 -0.133 0.000 1.201 610 F CB -0.908 37.992 39.000 -0.167 0.000 0.978 610 F HN 0.207 nan 8.300 nan 0.000 0.472 611 T N -2.500 111.863 114.554 -0.319 0.000 2.915 611 T HA -0.163 4.188 4.350 0.001 0.000 0.269 611 T C 2.312 176.960 174.700 -0.087 0.000 1.071 611 T CA 1.359 63.286 62.100 -0.289 0.000 1.132 611 T CB -1.004 67.717 68.868 -0.245 0.000 0.878 611 T HN 0.339 nan 8.240 nan 0.000 0.479 612 S N 1.279 116.943 115.700 -0.061 0.000 2.365 612 S HA -0.138 4.332 4.470 0.001 0.000 0.221 612 S C 1.962 176.658 174.600 0.161 0.000 1.037 612 S CA 1.484 59.768 58.200 0.141 0.000 1.060 612 S CB -0.699 62.684 63.200 0.305 0.000 0.974 612 S HN 0.552 nan 8.310 nan 0.000 0.427 613 I N 1.343 121.951 120.570 0.063 0.000 2.315 613 I HA -0.066 4.105 4.170 0.001 0.000 0.248 613 I C 1.804 177.858 176.117 -0.105 0.000 1.117 613 I CA 1.263 62.532 61.300 -0.051 0.000 1.404 613 I CB -0.332 37.488 38.000 -0.300 0.000 1.071 613 I HN 0.322 nan 8.210 nan 0.000 0.419 614 I N 0.210 120.635 120.570 -0.243 0.000 2.286 614 I HA -0.234 3.937 4.170 0.001 0.000 0.248 614 I C 2.511 178.541 176.117 -0.145 0.000 1.115 614 I CA 1.270 62.402 61.300 -0.281 0.000 1.392 614 I CB -1.534 36.153 38.000 -0.520 0.000 1.065 614 I HN 0.253 nan 8.210 nan 0.000 0.418 615 S N 0.675 116.353 115.700 -0.037 0.000 2.357 615 S HA -0.098 4.372 4.470 0.001 0.000 0.221 615 S C 1.941 176.520 174.600 -0.036 0.000 1.031 615 S CA 0.735 58.938 58.200 0.004 0.000 0.982 615 S CB -0.346 62.976 63.200 0.203 0.000 0.853 615 S HN 0.311 nan 8.310 nan 0.000 0.458 616 L N 2.457 123.702 121.223 0.037 0.000 2.012 616 L HA -0.105 4.235 4.340 0.001 0.000 0.210 616 L C 2.202 179.101 176.870 0.048 0.000 1.073 616 L CA 1.855 56.737 54.840 0.070 0.000 0.748 616 L CB -0.701 41.475 42.059 0.195 0.000 0.891 616 L HN 0.120 nan 8.230 nan 0.000 0.431 617 E N -0.384 119.836 120.200 0.033 0.000 2.085 617 E HA -0.172 4.178 4.350 0.001 0.000 0.194 617 E C 2.248 178.806 176.600 -0.071 0.000 0.994 617 E CA 1.518 57.917 56.400 -0.002 0.000 0.801 617 E CB -0.458 29.223 29.700 -0.031 0.000 0.743 617 E HN 0.547 nan 8.360 nan 0.000 0.453 618 S N 1.241 116.877 115.700 -0.107 0.000 2.368 618 S HA -0.144 4.326 4.470 0.001 0.000 0.225 618 S C 1.975 176.462 174.600 -0.188 0.000 1.030 618 S CA 0.851 58.962 58.200 -0.148 0.000 0.999 618 S CB -0.278 62.820 63.200 -0.171 0.000 0.844 618 S HN 0.149 nan 8.310 nan 0.000 0.459 619 L N 1.720 122.831 121.223 -0.188 0.000 2.083 619 L HA -0.115 4.225 4.340 0.001 0.000 0.209 619 L C 2.207 178.912 176.870 -0.276 0.000 1.083 619 L CA 1.872 56.568 54.840 -0.240 0.000 0.752 619 L CB -0.717 41.215 42.059 -0.212 0.000 0.899 619 L HN 0.428 nan 8.230 nan 0.000 0.433 620 H N -0.679 118.175 119.070 -0.360 0.000 2.423 620 H HA -0.179 4.378 4.556 0.001 0.000 0.297 620 H C 2.053 177.120 175.328 -0.435 0.000 1.075 620 H CA 1.792 57.526 56.048 -0.523 0.000 1.342 620 H CB 0.230 29.427 29.762 -0.941 0.000 1.395 620 H HN 0.648 nan 8.280 nan 0.000 0.530 621 Q N 0.247 119.838 119.800 -0.348 0.000 2.016 621 Q HA -0.133 4.208 4.340 0.001 0.000 0.200 621 Q C 2.483 178.224 176.000 -0.431 0.000 0.978 621 Q CA 1.444 57.040 55.803 -0.345 0.000 0.833 621 Q CB -0.118 28.513 28.738 -0.178 0.000 0.895 621 Q HN 0.388 nan 8.270 nan 0.000 0.427 622 L N 0.722 121.711 121.223 -0.390 0.000 2.042 622 L HA -0.167 4.173 4.340 0.001 0.000 0.210 622 L C 2.152 178.681 176.870 -0.569 0.000 1.076 622 L CA 1.656 56.222 54.840 -0.458 0.000 0.749 622 L CB -0.433 41.354 42.059 -0.454 0.000 0.893 622 L HN 0.357 nan 8.230 nan 0.000 0.432 623 L N -1.671 119.247 121.223 -0.510 0.000 2.156 623 L HA -0.144 4.197 4.340 0.001 0.000 0.208 623 L C 2.435 179.155 176.870 -0.251 0.000 1.095 623 L CA 1.029 55.647 54.840 -0.372 0.000 0.770 623 L CB -0.467 41.396 42.059 -0.326 0.000 0.914 623 L HN 0.248 nan 8.230 nan 0.000 0.439 624 S N 0.248 115.690 115.700 -0.430 0.000 2.356 624 S HA -0.131 4.340 4.470 0.001 0.000 0.223 624 S C 1.945 176.417 174.600 -0.214 0.000 1.032 624 S CA 1.174 59.170 58.200 -0.340 0.000 1.005 624 S CB -0.170 62.716 63.200 -0.523 0.000 0.867 624 S HN 0.266 nan 8.310 nan 0.000 0.449 625 I N 0.988 121.310 120.570 -0.414 0.000 2.163 625 I HA -0.258 3.913 4.170 0.001 0.000 0.243 625 I C 2.334 178.447 176.117 -0.006 0.000 1.085 625 I CA 1.487 62.514 61.300 -0.455 0.000 1.347 625 I CB -0.514 37.100 38.000 -0.643 0.000 1.044 625 I HN 0.423 nan 8.210 nan 0.000 0.408 626 H N -1.076 117.954 119.070 -0.067 0.000 2.353 626 H HA -0.280 4.276 4.556 0.001 0.000 0.298 626 H C 2.189 177.601 175.328 0.140 0.000 1.103 626 H CA 1.840 57.931 56.048 0.072 0.000 1.293 626 H CB -0.115 29.733 29.762 0.144 0.000 1.372 626 H HN 0.344 nan 8.280 nan 0.000 0.501 627 Y N 1.788 122.170 120.300 0.136 0.000 2.224 627 Y HA -0.213 4.338 4.550 0.001 0.000 0.289 627 Y C 2.690 178.672 175.900 0.137 0.000 1.146 627 Y CA 1.376 59.550 58.100 0.123 0.000 1.182 627 Y CB -0.252 38.235 38.460 0.047 0.000 0.983 627 Y HN -0.051 nan 8.280 nan 0.000 0.524 628 R N 0.212 120.711 120.500 -0.002 0.000 2.062 628 R HA -0.114 4.227 4.340 0.001 0.000 0.229 628 R C 2.309 178.586 176.300 -0.040 0.000 1.128 628 R CA 1.732 57.785 56.100 -0.079 0.000 0.960 628 R CB -0.498 29.853 30.300 0.084 0.000 0.855 628 R HN 0.458 nan 8.270 nan 0.000 0.432 629 I N 0.433 121.026 120.570 0.038 0.000 2.091 629 I HA -0.320 3.850 4.170 0.001 0.000 0.239 629 I C 2.195 178.307 176.117 -0.007 0.000 1.061 629 I CA 1.917 63.232 61.300 0.024 0.000 1.317 629 I CB -0.505 37.538 38.000 0.072 0.000 1.031 629 I HN 0.257 nan 8.210 nan 0.000 0.401 630 T N 1.213 115.780 114.554 0.021 0.000 2.665 630 T HA -0.246 4.105 4.350 0.001 0.000 0.268 630 T C 1.839 176.527 174.700 -0.020 0.000 1.035 630 T CA 1.717 63.831 62.100 0.024 0.000 1.151 630 T CB -0.474 68.461 68.868 0.112 0.000 0.862 630 T HN 0.190 nan 8.240 nan 0.000 0.438 631 L N 0.945 122.141 121.223 -0.045 0.000 2.017 631 L HA -0.117 4.224 4.340 0.001 0.000 0.208 631 L C 2.602 179.459 176.870 -0.022 0.000 1.073 631 L CA 1.785 56.601 54.840 -0.040 0.000 0.745 631 L CB -0.674 41.291 42.059 -0.156 0.000 0.894 631 L HN 0.270 nan 8.230 nan 0.000 0.432 632 Q N -1.265 118.502 119.800 -0.055 0.000 2.096 632 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 632 Q C 2.157 178.115 176.000 -0.069 0.000 0.982 632 Q CA 2.118 57.885 55.803 -0.059 0.000 0.850 632 Q CB -0.328 28.353 28.738 -0.094 0.000 0.901 632 Q HN 0.479 nan 8.270 nan 0.000 0.422 633 V N 1.044 120.921 119.914 -0.061 0.000 2.295 633 V HA -0.265 3.856 4.120 0.001 0.000 0.246 633 V C 2.237 178.367 176.094 0.059 0.000 1.049 633 V CA 1.540 63.830 62.300 -0.016 0.000 1.024 633 V CB -0.563 31.304 31.823 0.072 0.000 0.648 633 V HN 0.358 nan 8.190 nan 0.000 0.447 634 L N -0.635 120.583 121.223 -0.007 0.000 2.081 634 L HA -0.230 4.110 4.340 0.001 0.000 0.212 634 L C 2.495 179.307 176.870 -0.096 0.000 1.080 634 L CA 1.383 56.130 54.840 -0.155 0.000 0.754 634 L CB -0.608 41.005 42.059 -0.744 0.000 0.893 634 L HN 0.368 nan 8.230 nan 0.000 0.433 635 L N 0.058 121.282 121.223 0.002 0.000 2.012 635 L HA -0.234 4.107 4.340 0.001 0.000 0.210 635 L C 2.747 179.561 176.870 -0.094 0.000 1.073 635 L CA 2.652 57.509 54.840 0.029 0.000 0.748 635 L CB -1.000 41.085 42.059 0.043 0.000 0.891 635 L HN 0.474 nan 8.230 nan 0.000 0.431 636 T N -3.535 110.944 114.554 -0.126 0.000 2.833 636 T HA -0.213 4.138 4.350 0.001 0.000 0.269 636 T C 1.798 176.365 174.700 -0.223 0.000 1.054 636 T CA 1.546 63.535 62.100 -0.185 0.000 1.135 636 T CB -1.083 67.685 68.868 -0.166 0.000 0.869 636 T HN 0.336 nan 8.240 nan 0.000 0.466 637 F N 1.592 121.470 119.950 -0.121 0.000 2.407 637 F HA 0.117 4.645 4.527 0.001 0.000 0.299 637 F C 2.516 178.259 175.800 -0.095 0.000 1.097 637 F CA 0.786 58.755 58.000 -0.052 0.000 1.422 637 F CB -0.056 38.958 39.000 0.024 0.000 1.067 637 F HN 0.205 nan 8.300 nan 0.000 0.539 638 V N -2.316 117.460 119.914 -0.229 0.000 3.506 638 V HA 0.081 4.202 4.120 0.001 0.000 0.263 638 V C 1.423 177.442 176.094 -0.126 0.000 1.203 638 V CA 0.896 63.041 62.300 -0.258 0.000 1.133 638 V CB -0.178 31.393 31.823 -0.420 0.000 0.802 638 V HN 0.364 nan 8.190 nan 0.000 0.459 639 L N -1.217 119.830 121.223 -0.293 0.000 2.286 639 L HA 0.395 4.736 4.340 0.001 0.000 0.203 639 L C 0.784 177.252 176.870 -0.669 0.000 1.068 639 L CA 0.527 55.015 54.840 -0.586 0.000 0.811 639 L CB 0.156 41.604 42.059 -1.018 0.000 0.989 639 L HN 0.291 nan 8.230 nan 0.000 0.467 640 F N -0.995 118.900 119.950 -0.091 0.000 2.497 640 F HA 0.224 4.751 4.527 0.001 0.000 0.331 640 F C 0.574 176.377 175.800 0.004 0.000 1.060 640 F CA -1.419 56.547 58.000 -0.057 0.000 0.989 640 F CB 0.373 39.340 39.000 -0.054 0.000 1.245 640 F HN -0.242 nan 8.300 nan 0.000 0.486 641 D N 2.498 123.041 120.400 0.239 0.000 2.551 641 D HA 0.185 4.826 4.640 0.001 0.000 0.223 641 D C -0.703 175.713 176.300 0.193 0.000 1.144 641 D CA 0.200 54.304 54.000 0.173 0.000 1.025 641 D CB -0.362 40.512 40.800 0.123 0.000 1.085 641 D HN 0.323 nan 8.370 nan 0.000 0.506 642 L N 1.914 123.273 121.223 0.228 0.000 2.289 642 L HA 0.175 4.516 4.340 0.001 0.000 0.285 642 L C 0.696 177.786 176.870 0.366 0.000 1.049 642 L CA -0.994 54.004 54.840 0.263 0.000 0.804 642 L CB 1.291 43.420 42.059 0.117 0.000 1.195 642 L HN 0.101 nan 8.230 nan 0.000 0.428 643 D N 1.834 122.476 120.400 0.402 0.000 2.455 643 D HA -0.103 4.538 4.640 0.001 0.000 0.265 643 D C 1.178 177.657 176.300 0.299 0.000 1.284 643 D CA 0.503 54.672 54.000 0.283 0.000 0.944 643 D CB 0.931 41.846 40.800 0.193 0.000 1.121 643 D HN 0.498 nan 8.370 nan 0.000 0.525 644 T N 2.897 117.551 114.554 0.167 0.000 2.996 644 T HA -0.171 4.180 4.350 0.001 0.000 0.271 644 T C 1.415 176.130 174.700 0.025 0.000 1.126 644 T CA 1.218 63.360 62.100 0.069 0.000 1.103 644 T CB 0.080 68.916 68.868 -0.053 0.000 0.870 644 T HN 0.550 nan 8.240 nan 0.000 0.528 645 E N -0.173 120.046 120.200 0.031 0.000 2.099 645 E HA 0.044 4.395 4.350 0.001 0.000 0.191 645 E C 2.089 178.658 176.600 -0.050 0.000 0.962 645 E CA 0.276 56.664 56.400 -0.020 0.000 0.826 645 E CB 0.035 29.721 29.700 -0.023 0.000 0.788 645 E HN 0.460 nan 8.360 nan 0.000 0.461 646 I N 0.381 120.917 120.570 -0.056 0.000 2.113 646 I HA -0.251 3.920 4.170 0.001 0.000 0.238 646 I C 1.470 177.397 176.117 -0.317 0.000 1.070 646 I CA 1.228 62.391 61.300 -0.230 0.000 1.332 646 I CB -0.191 37.589 38.000 -0.367 0.000 1.044 646 I HN 0.098 nan 8.210 nan 0.000 0.402 647 F N 1.057 121.022 119.950 0.024 0.000 2.769 647 F HA 0.156 4.684 4.527 0.001 0.000 0.304 647 F C 2.140 177.866 175.800 -0.123 0.000 1.158 647 F CA 0.229 58.236 58.000 0.011 0.000 1.398 647 F CB -0.894 38.210 39.000 0.173 0.000 1.094 647 F HN -0.033 nan 8.300 nan 0.000 0.553 648 G N -0.141 108.651 108.800 -0.014 0.000 2.469 648 G HA2 -0.343 3.618 3.960 0.001 0.000 0.219 648 G HA3 -0.343 3.618 3.960 0.001 0.000 0.219 648 G C 1.618 176.460 174.900 -0.097 0.000 1.150 648 G CA 0.879 45.935 45.100 -0.072 0.000 0.763 648 G HN 0.280 nan 8.290 nan 0.000 0.561 649 Q N 0.101 119.820 119.800 -0.135 0.000 1.993 649 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 649 Q C 2.421 178.369 176.000 -0.086 0.000 0.984 649 Q CA 1.586 57.298 55.803 -0.151 0.000 0.837 649 Q CB -0.632 27.956 28.738 -0.250 0.000 0.902 649 Q HN 0.582 nan 8.270 nan 0.000 0.423 650 H N -0.015 119.033 119.070 -0.037 0.000 2.319 650 H HA -0.122 4.435 4.556 0.001 0.000 0.297 650 H C 2.167 177.394 175.328 -0.169 0.000 1.097 650 H CA 1.710 57.733 56.048 -0.041 0.000 1.285 650 H CB -0.463 29.360 29.762 0.102 0.000 1.368 650 H HN 0.315 nan 8.280 nan 0.000 0.495 651 I N 0.601 121.076 120.570 -0.159 0.000 2.208 651 I HA -0.272 3.899 4.170 0.001 0.000 0.245 651 I C 2.561 178.587 176.117 -0.151 0.000 1.097 651 I CA 1.727 62.846 61.300 -0.302 0.000 1.363 651 I CB -0.337 37.476 38.000 -0.311 0.000 1.051 651 I HN 0.268 nan 8.210 nan 0.000 0.413 652 S N -0.728 114.910 115.700 -0.102 0.000 2.436 652 S HA -0.091 4.380 4.470 0.001 0.000 0.228 652 S C 1.875 176.440 174.600 -0.058 0.000 1.014 652 S CA 1.241 59.397 58.200 -0.074 0.000 0.950 652 S CB -0.529 62.630 63.200 -0.069 0.000 0.784 652 S HN 0.334 nan 8.310 nan 0.000 0.504 653 T N 2.699 117.226 114.554 -0.044 0.000 2.857 653 T HA 0.223 4.574 4.350 0.001 0.000 0.266 653 T C 1.642 176.308 174.700 -0.057 0.000 1.048 653 T CA 1.072 63.150 62.100 -0.036 0.000 1.139 653 T CB -0.375 68.499 68.868 0.010 0.000 0.874 653 T HN 0.299 nan 8.240 nan 0.000 0.455 654 L N 0.424 121.611 121.223 -0.062 0.000 2.044 654 L HA 0.047 4.387 4.340 0.001 0.000 0.205 654 L C 2.381 179.223 176.870 -0.047 0.000 1.075 654 L CA 1.020 55.817 54.840 -0.072 0.000 0.747 654 L CB -0.529 41.466 42.059 -0.107 0.000 0.903 654 L HN 0.217 nan 8.230 nan 0.000 0.435 655 L N -0.301 120.877 121.223 -0.075 0.000 2.191 655 L HA -0.246 4.094 4.340 0.001 0.000 0.212 655 L C 2.051 178.983 176.870 0.102 0.000 1.103 655 L CA 1.371 56.204 54.840 -0.012 0.000 0.769 655 L CB -0.452 41.587 42.059 -0.033 0.000 0.908 655 L HN 0.340 nan 8.230 nan 0.000 0.438 656 D N -0.196 120.221 120.400 0.029 0.000 2.162 656 D HA -0.122 4.518 4.640 0.001 0.000 0.203 656 D C 2.323 178.653 176.300 0.050 0.000 0.967 656 D CA 0.673 54.689 54.000 0.026 0.000 0.840 656 D CB 0.179 40.959 40.800 -0.033 0.000 0.972 656 D HN 0.171 nan 8.370 nan 0.000 0.482 657 L N -0.091 121.107 121.223 -0.042 0.000 2.109 657 L HA -0.117 4.224 4.340 0.001 0.000 0.207 657 L C 2.539 179.458 176.870 0.081 0.000 1.086 657 L CA 0.988 55.718 54.840 -0.182 0.000 0.760 657 L CB -0.718 41.131 42.059 -0.351 0.000 0.910 657 L HN 0.367 nan 8.230 nan 0.000 0.437 658 H N -0.397 118.737 119.070 0.106 0.000 2.321 658 H HA -0.281 4.275 4.556 0.001 0.000 0.300 658 H C 2.262 177.796 175.328 0.343 0.000 1.087 658 H CA 2.231 58.433 56.048 0.257 0.000 1.319 658 H CB -0.250 29.632 29.762 0.200 0.000 1.379 658 H HN 0.318 nan 8.280 nan 0.000 0.501 659 Y N 1.855 122.241 120.300 0.142 0.000 2.097 659 Y HA -0.222 4.329 4.550 0.001 0.000 0.282 659 Y C 2.704 178.665 175.900 0.101 0.000 1.152 659 Y CA 2.264 60.429 58.100 0.108 0.000 1.136 659 Y CB -0.066 38.480 38.460 0.142 0.000 0.975 659 Y HN 0.130 nan 8.280 nan 0.000 0.498 660 K N -0.209 120.391 120.400 0.333 0.000 2.057 660 K HA -0.243 4.078 4.320 0.001 0.000 0.207 660 K C 2.135 178.813 176.600 0.131 0.000 1.049 660 K CA 1.903 58.333 56.287 0.239 0.000 0.931 660 K CB -0.270 32.401 32.500 0.283 0.000 0.714 660 K HN 0.465 nan 8.250 nan 0.000 0.440 661 Q N 0.041 119.935 119.800 0.156 0.000 2.030 661 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 661 Q C 1.957 177.845 176.000 -0.186 0.000 0.986 661 Q CA 1.888 57.733 55.803 0.071 0.000 0.843 661 Q CB -0.267 28.596 28.738 0.208 0.000 0.904 661 Q HN 0.225 nan 8.270 nan 0.000 0.420 662 F N 0.796 120.509 119.950 -0.394 0.000 2.025 662 F HA -0.295 4.232 4.527 0.001 0.000 0.297 662 F C 1.856 177.447 175.800 -0.348 0.000 1.132 662 F CA 1.325 59.013 58.000 -0.521 0.000 1.191 662 F CB -0.565 38.147 39.000 -0.479 0.000 0.963 662 F HN 0.016 nan 8.300 nan 0.000 0.481 663 L N -0.034 121.061 121.223 -0.213 0.000 1.991 663 L HA -0.283 4.058 4.340 0.001 0.000 0.221 663 L C 2.443 179.181 176.870 -0.219 0.000 1.079 663 L CA 2.029 56.733 54.840 -0.227 0.000 0.778 663 L CB -1.371 40.590 42.059 -0.164 0.000 0.893 663 L HN 0.373 nan 8.230 nan 0.000 0.437 664 L N -1.230 119.900 121.223 -0.156 0.000 2.012 664 L HA -0.231 4.110 4.340 0.001 0.000 0.210 664 L C 2.332 179.118 176.870 -0.140 0.000 1.073 664 L CA 1.698 56.468 54.840 -0.116 0.000 0.748 664 L CB -0.399 41.608 42.059 -0.087 0.000 0.891 664 L HN 0.207 nan 8.230 nan 0.000 0.431 665 L N -0.568 120.499 121.223 -0.261 0.000 2.131 665 L HA -0.229 4.112 4.340 0.001 0.000 0.210 665 L C 2.245 178.985 176.870 -0.216 0.000 1.092 665 L CA 1.573 56.266 54.840 -0.244 0.000 0.759 665 L CB -0.679 41.107 42.059 -0.455 0.000 0.903 665 L HN 0.442 nan 8.230 nan 0.000 0.435 666 N N 0.052 118.510 118.700 -0.402 0.000 2.171 666 N HA -0.115 4.626 4.740 0.001 0.000 0.184 666 N C 1.856 177.259 175.510 -0.179 0.000 1.021 666 N CA 0.844 53.671 53.050 -0.371 0.000 0.854 666 N CB 0.033 38.218 38.487 -0.503 0.000 0.994 666 N HN 0.174 nan 8.380 nan 0.000 0.426 667 L N -0.672 120.472 121.223 -0.131 0.000 2.156 667 L HA -0.123 4.218 4.340 0.001 0.000 0.208 667 L C 1.944 178.780 176.870 -0.057 0.000 1.095 667 L CA 0.794 55.582 54.840 -0.087 0.000 0.770 667 L CB -0.666 41.350 42.059 -0.071 0.000 0.914 667 L HN 0.318 nan 8.230 nan 0.000 0.439 668 Y N 2.217 122.431 120.300 -0.144 0.000 2.145 668 Y HA -0.257 4.294 4.550 0.001 0.000 0.286 668 Y C 2.783 178.578 175.900 -0.175 0.000 1.145 668 Y CA 1.747 59.764 58.100 -0.139 0.000 1.148 668 Y CB -0.093 38.317 38.460 -0.084 0.000 0.981 668 Y HN 0.121 nan 8.280 nan 0.000 0.507 669 R N -0.168 120.271 120.500 -0.102 0.000 2.297 669 R HA -0.002 4.338 4.340 0.001 0.000 0.197 669 R C 1.760 177.936 176.300 -0.206 0.000 0.943 669 R CA 0.965 56.932 56.100 -0.221 0.000 1.038 669 R CB -0.310 29.943 30.300 -0.078 0.000 0.957 669 R HN 0.371 nan 8.270 nan 0.000 0.484 670 Q N 1.265 120.963 119.800 -0.170 0.000 2.250 670 Q HA -0.020 4.321 4.340 0.001 0.000 0.200 670 Q C -0.429 175.475 176.000 -0.160 0.000 0.941 670 Q CA 1.086 56.804 55.803 -0.141 0.000 0.872 670 Q CB 0.692 29.366 28.738 -0.107 0.000 0.965 670 Q HN 0.229 nan 8.270 nan 0.000 0.480 671 D N -1.070 119.212 120.400 -0.196 0.000 2.684 671 D HA 0.048 4.688 4.640 0.001 0.000 0.233 671 D C -0.279 175.883 176.300 -0.231 0.000 1.374 671 D CA 0.006 53.886 54.000 -0.200 0.000 0.906 671 D CB 0.063 40.768 40.800 -0.158 0.000 1.526 671 D HN 0.031 nan 8.370 nan 0.000 0.518 672 K N 0.187 120.416 120.400 -0.284 0.000 2.052 672 K HA -0.213 4.107 4.320 0.001 0.000 0.215 672 K C 2.009 178.471 176.600 -0.230 0.000 1.053 672 K CA 2.169 58.312 56.287 -0.241 0.000 0.934 672 K CB -0.279 32.102 32.500 -0.198 0.000 0.717 672 K HN 0.546 nan 8.250 nan 0.000 0.450 673 C N 1.173 120.303 119.300 -0.284 0.000 2.413 673 C HA -0.135 4.326 4.460 0.001 0.000 0.278 673 C C 2.529 177.236 174.990 -0.472 0.000 1.224 673 C CA 0.930 59.581 59.018 -0.611 0.000 1.732 673 C CB -1.013 26.448 27.740 -0.464 0.000 2.050 673 C HN 0.526 nan 8.230 nan 0.000 0.463 674 L N 0.972 122.010 121.223 -0.309 0.000 2.013 674 L HA -0.093 4.247 4.340 0.001 0.000 0.212 674 L C 2.278 179.015 176.870 -0.221 0.000 1.073 674 L CA 2.392 57.086 54.840 -0.243 0.000 0.753 674 L CB -1.239 40.709 42.059 -0.186 0.000 0.890 674 L HN 0.512 nan 8.230 nan 0.000 0.432 675 L N 0.003 121.106 121.223 -0.200 0.000 1.989 675 L HA -0.131 4.210 4.340 0.001 0.000 0.211 675 L C 2.566 179.345 176.870 -0.152 0.000 1.071 675 L CA 2.308 57.063 54.840 -0.142 0.000 0.749 675 L CB -1.342 40.664 42.059 -0.089 0.000 0.890 675 L HN 0.308 nan 8.230 nan 0.000 0.431 676 A N -0.875 121.816 122.820 -0.215 0.000 1.917 676 A HA -0.316 4.005 4.320 0.001 0.000 0.219 676 A C 2.335 179.802 177.584 -0.194 0.000 1.182 676 A CA 2.084 54.000 52.037 -0.201 0.000 0.633 676 A CB -0.870 17.893 19.000 -0.394 0.000 0.819 676 A HN 0.674 nan 8.150 nan 0.000 0.448 677 E N -0.050 119.987 120.200 -0.272 0.000 2.038 677 E HA -0.174 4.177 4.350 0.001 0.000 0.195 677 E C 2.051 178.557 176.600 -0.157 0.000 1.000 677 E CA 2.227 58.486 56.400 -0.236 0.000 0.803 677 E CB -0.240 29.300 29.700 -0.266 0.000 0.750 677 E HN 0.587 nan 8.360 nan 0.000 0.448 678 V N -0.604 119.227 119.914 -0.138 0.000 2.667 678 V HA -0.142 3.978 4.120 0.001 0.000 0.252 678 V C 2.250 178.302 176.094 -0.070 0.000 1.065 678 V CA 1.046 63.287 62.300 -0.098 0.000 1.083 678 V CB -0.365 31.404 31.823 -0.091 0.000 0.692 678 V HN 0.167 nan 8.190 nan 0.000 0.468 679 L N -0.785 120.395 121.223 -0.072 0.000 2.240 679 L HA 0.271 4.612 4.340 0.001 0.000 0.211 679 L C 2.041 178.897 176.870 -0.023 0.000 1.106 679 L CA 1.557 56.367 54.840 -0.050 0.000 0.793 679 L CB -0.416 41.607 42.059 -0.060 0.000 0.927 679 L HN 0.301 nan 8.230 nan 0.000 0.446 680 L N -1.307 119.908 121.223 -0.014 0.000 2.554 680 L HA 0.080 4.421 4.340 0.001 0.000 0.225 680 L C 1.919 178.806 176.870 0.027 0.000 1.104 680 L CA 0.757 55.625 54.840 0.046 0.000 0.866 680 L CB -0.409 41.701 42.059 0.085 0.000 1.047 680 L HN 0.121 nan 8.230 nan 0.000 0.468 681 K N -0.814 119.569 120.400 -0.028 0.000 2.387 681 K HA -0.023 4.298 4.320 0.001 0.000 0.198 681 K C 1.139 177.733 176.600 -0.010 0.000 1.022 681 K CA 0.129 56.391 56.287 -0.042 0.000 1.128 681 K CB 0.324 32.772 32.500 -0.088 0.000 0.853 681 K HN 0.047 nan 8.250 nan 0.000 0.523 682 D N 0.245 120.652 120.400 0.011 0.000 2.197 682 D HA -0.055 4.586 4.640 0.001 0.000 0.212 682 D C -0.040 176.297 176.300 0.061 0.000 0.963 682 D CA 0.540 54.555 54.000 0.025 0.000 0.864 682 D CB 0.161 40.970 40.800 0.016 0.000 1.009 682 D HN 0.175 nan 8.370 nan 0.000 0.479 683 S N -0.054 115.706 115.700 0.101 0.000 2.474 683 S HA 0.265 4.736 4.470 0.001 0.000 0.276 683 S C 1.367 176.052 174.600 0.141 0.000 1.227 683 S CA -0.065 58.242 58.200 0.179 0.000 1.050 683 S CB 1.485 64.875 63.200 0.318 0.000 0.939 683 S HN 0.201 nan 8.310 nan 0.000 0.490 684 S N 3.031 118.780 115.700 0.082 0.000 2.361 684 S HA -0.169 4.301 4.470 0.001 0.000 0.214 684 S C 1.342 175.907 174.600 -0.059 0.000 1.034 684 S CA 0.890 59.099 58.200 0.015 0.000 1.025 684 S CB -1.028 62.173 63.200 0.002 0.000 0.996 684 S HN 0.813 nan 8.310 nan 0.000 0.422 685 E N 0.541 120.583 120.200 -0.263 0.000 2.463 685 E HA -0.018 4.333 4.350 0.001 0.000 0.201 685 E C -0.227 176.015 176.600 -0.597 0.000 1.045 685 E CA 0.626 56.729 56.400 -0.496 0.000 0.872 685 E CB -0.205 29.044 29.700 -0.752 0.000 0.797 685 E HN 0.655 nan 8.360 nan 0.000 0.538 686 F N -0.524 119.505 119.950 0.131 0.000 2.881 686 F HA 0.131 4.659 4.527 0.001 0.000 0.343 686 F C 1.292 177.196 175.800 0.172 0.000 1.233 686 F CA -0.411 57.676 58.000 0.145 0.000 1.262 686 F CB 0.339 39.401 39.000 0.103 0.000 0.980 686 F HN -0.133 nan 8.300 nan 0.000 0.506 687 S N -1.722 114.148 115.700 0.284 0.000 2.660 687 S HA -0.002 4.468 4.470 0.001 0.000 0.228 687 S C 1.073 175.698 174.600 0.041 0.000 0.966 687 S CA 0.707 59.001 58.200 0.156 0.000 0.940 687 S CB -0.737 62.514 63.200 0.086 0.000 0.773 687 S HN 0.419 nan 8.310 nan 0.000 0.535 688 F N 0.861 120.903 119.950 0.155 0.000 2.778 688 F HA 0.512 5.039 4.527 0.001 0.000 0.314 688 F C 1.471 177.436 175.800 0.276 0.000 1.073 688 F CA 0.279 58.396 58.000 0.196 0.000 1.218 688 F CB 1.136 40.229 39.000 0.155 0.000 1.037 688 F HN 0.509 nan 8.300 nan 0.000 0.594 689 G N 0.295 109.320 108.800 0.375 0.000 2.302 689 G HA2 0.278 4.239 3.960 0.001 0.000 0.276 689 G HA3 0.278 4.239 3.960 0.001 0.000 0.276 689 G C -1.885 173.072 174.900 0.095 0.000 1.316 689 G CA -0.562 44.683 45.100 0.241 0.000 0.988 689 G HN -0.055 nan 8.290 nan 0.000 0.479 690 V N 0.114 119.963 119.914 -0.109 0.000 3.182 690 V HA 0.842 4.963 4.120 0.001 0.000 0.308 690 V C -1.152 174.773 176.094 -0.283 0.000 1.240 690 V CA -1.065 61.077 62.300 -0.264 0.000 1.063 690 V CB 2.347 33.681 31.823 -0.815 0.000 1.076 690 V HN 0.759 nan 8.190 nan 0.000 0.446 691 K N 2.589 122.812 120.400 -0.295 0.000 2.640 691 K HA 0.457 4.778 4.320 0.001 0.000 0.245 691 K C -1.326 174.934 176.600 -0.567 0.000 0.962 691 K CA -0.028 55.958 56.287 -0.502 0.000 0.896 691 K CB 1.655 33.987 32.500 -0.279 0.000 1.147 691 K HN 0.600 nan 8.250 nan 0.000 0.445 692 F N -0.571 119.104 119.950 -0.458 0.000 2.443 692 F HA 0.560 5.088 4.527 0.001 0.000 0.335 692 F C 0.315 175.808 175.800 -0.512 0.000 1.104 692 F CA -1.002 56.794 58.000 -0.339 0.000 1.013 692 F CB 0.620 39.527 39.000 -0.155 0.000 1.136 692 F HN 0.199 nan 8.300 nan 0.000 0.470 693 F N 0.608 120.694 119.950 0.227 0.000 2.680 693 F HA 0.206 4.734 4.527 0.001 0.000 0.290 693 F C 0.381 176.246 175.800 0.108 0.000 1.114 693 F CA -0.355 57.724 58.000 0.133 0.000 1.333 693 F CB -0.098 38.916 39.000 0.024 0.000 1.091 693 F HN 0.557 nan 8.300 nan 0.000 0.606 694 N N -2.414 116.416 118.700 0.217 0.000 2.653 694 N HA 0.146 4.886 4.740 0.001 0.000 0.294 694 N C 0.051 175.552 175.510 -0.014 0.000 1.305 694 N CA -0.740 52.347 53.050 0.061 0.000 0.827 694 N CB -0.089 38.456 38.487 0.097 0.000 1.415 694 N HN -0.191 nan 8.380 nan 0.000 0.546 695 Y N -0.616 119.728 120.300 0.073 0.000 2.314 695 Y HA 0.154 4.705 4.550 0.001 0.000 0.293 695 Y C 2.352 178.242 175.900 -0.016 0.000 1.129 695 Y CA 1.688 59.790 58.100 0.004 0.000 1.201 695 Y CB -0.656 37.802 38.460 -0.003 0.000 0.999 695 Y HN 0.798 nan 8.280 nan 0.000 0.541 696 G N -0.581 108.308 108.800 0.148 0.000 2.421 696 G HA2 -0.264 3.697 3.960 0.001 0.000 0.216 696 G HA3 -0.264 3.697 3.960 0.001 0.000 0.216 696 G C 1.473 176.404 174.900 0.052 0.000 1.171 696 G CA 0.843 45.990 45.100 0.080 0.000 0.775 696 G HN 0.367 nan 8.290 nan 0.000 0.543 697 Q N -0.592 119.244 119.800 0.060 0.000 2.096 697 Q HA -0.073 4.268 4.340 0.001 0.000 0.204 697 Q C 2.479 178.531 176.000 0.088 0.000 0.982 697 Q CA 1.244 57.085 55.803 0.062 0.000 0.850 697 Q CB -0.288 28.523 28.738 0.121 0.000 0.901 697 Q HN 0.430 nan 8.270 nan 0.000 0.422 698 L N 0.657 121.867 121.223 -0.022 0.000 1.994 698 L HA -0.178 4.163 4.340 0.001 0.000 0.208 698 L C 2.015 178.826 176.870 -0.099 0.000 1.071 698 L CA 1.661 56.341 54.840 -0.266 0.000 0.745 698 L CB -0.393 41.348 42.059 -0.531 0.000 0.892 698 L HN 0.218 nan 8.230 nan 0.000 0.431 699 I N -0.312 120.236 120.570 -0.038 0.000 2.163 699 I HA -0.355 3.815 4.170 0.001 0.000 0.243 699 I C 2.622 178.745 176.117 0.010 0.000 1.085 699 I CA 1.293 62.576 61.300 -0.028 0.000 1.347 699 I CB -0.730 37.266 38.000 -0.006 0.000 1.044 699 I HN 0.432 nan 8.210 nan 0.000 0.408 700 A N 0.312 123.175 122.820 0.072 0.000 1.883 700 A HA -0.313 4.007 4.320 0.001 0.000 0.217 700 A C 2.312 180.037 177.584 0.234 0.000 1.186 700 A CA 1.920 54.049 52.037 0.153 0.000 0.624 700 A CB -1.183 17.889 19.000 0.120 0.000 0.822 700 A HN 0.527 nan 8.150 nan 0.000 0.444 701 Y N 0.670 121.053 120.300 0.137 0.000 2.181 701 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 701 Y C 2.031 177.799 175.900 -0.220 0.000 1.146 701 Y CA 1.320 59.363 58.100 -0.095 0.000 1.164 701 Y CB -0.168 38.286 38.460 -0.009 0.000 0.982 701 Y HN 0.251 nan 8.280 nan 0.000 0.515 702 I N 0.300 120.725 120.570 -0.241 0.000 2.142 702 I HA -0.290 3.881 4.170 0.001 0.000 0.240 702 I C 2.196 178.140 176.117 -0.287 0.000 1.078 702 I CA 1.553 62.651 61.300 -0.336 0.000 1.343 702 I CB -1.443 36.419 38.000 -0.229 0.000 1.046 702 I HN 0.240 nan 8.210 nan 0.000 0.405 703 D N 0.351 120.659 120.400 -0.152 0.000 2.182 703 D HA -0.173 4.468 4.640 0.001 0.000 0.201 703 D C 2.342 178.640 176.300 -0.004 0.000 0.986 703 D CA 1.502 55.469 54.000 -0.055 0.000 0.847 703 D CB 0.219 41.056 40.800 0.063 0.000 0.942 703 D HN 0.244 nan 8.370 nan 0.000 0.467 704 S N -0.020 115.565 115.700 -0.191 0.000 2.348 704 S HA -0.098 4.373 4.470 0.001 0.000 0.221 704 S C 2.231 176.676 174.600 -0.258 0.000 1.033 704 S CA 0.641 58.607 58.200 -0.390 0.000 1.010 704 S CB -0.215 62.362 63.200 -1.039 0.000 0.891 704 S HN 0.205 nan 8.310 nan 0.000 0.442 705 L N 1.642 122.593 121.223 -0.453 0.000 2.191 705 L HA -0.092 4.249 4.340 0.001 0.000 0.212 705 L C 2.495 179.212 176.870 -0.255 0.000 1.103 705 L CA 1.455 56.068 54.840 -0.379 0.000 0.769 705 L CB -0.750 41.010 42.059 -0.497 0.000 0.908 705 L HN 0.522 nan 8.230 nan 0.000 0.438 706 N N -0.460 118.081 118.700 -0.264 0.000 2.120 706 N HA -0.186 4.555 4.740 0.001 0.000 0.188 706 N C 1.903 177.242 175.510 -0.285 0.000 1.024 706 N CA 1.327 54.170 53.050 -0.345 0.000 0.852 706 N CB 0.160 38.430 38.487 -0.361 0.000 1.003 706 N HN 0.211 nan 8.380 nan 0.000 0.424 707 S N 0.954 116.611 115.700 -0.072 0.000 2.356 707 S HA -0.091 4.380 4.470 0.001 0.000 0.223 707 S C 1.504 176.133 174.600 0.048 0.000 1.032 707 S CA 0.979 59.199 58.200 0.034 0.000 1.005 707 S CB -0.497 62.788 63.200 0.140 0.000 0.867 707 S HN 0.446 nan 8.310 nan 0.000 0.449 708 N N 1.345 120.063 118.700 0.030 0.000 2.192 708 N HA -0.079 4.662 4.740 0.001 0.000 0.188 708 N C 1.617 177.144 175.510 0.029 0.000 1.013 708 N CA 0.951 54.019 53.050 0.030 0.000 0.863 708 N CB -0.666 37.815 38.487 -0.010 0.000 0.990 708 N HN 0.270 nan 8.380 nan 0.000 0.430 709 V N 0.002 119.903 119.914 -0.022 0.000 2.407 709 V HA -0.128 3.992 4.120 0.001 0.000 0.245 709 V C 1.655 177.878 176.094 0.216 0.000 1.041 709 V CA 1.050 63.367 62.300 0.028 0.000 1.040 709 V CB -0.598 31.178 31.823 -0.079 0.000 0.671 709 V HN 0.195 nan 8.190 nan 0.000 0.455 710 Y N 0.558 120.887 120.300 0.048 0.000 2.457 710 Y HA 0.060 4.611 4.550 0.001 0.000 0.292 710 Y C 2.248 178.181 175.900 0.054 0.000 1.125 710 Y CA 0.221 58.358 58.100 0.062 0.000 1.254 710 Y CB -0.624 37.876 38.460 0.067 0.000 1.012 710 Y HN 0.351 nan 8.280 nan 0.000 0.555 711 N N 0.011 118.832 118.700 0.201 0.000 2.353 711 N HA 0.114 4.854 4.740 0.001 0.000 0.185 711 N C 0.664 176.238 175.510 0.107 0.000 1.098 711 N CA 0.387 53.513 53.050 0.127 0.000 0.872 711 N CB 0.025 38.570 38.487 0.096 0.000 0.970 711 N HN 0.071 nan 8.380 nan 0.000 0.467 712 A N 0.637 123.527 122.820 0.117 0.000 2.520 712 A HA 0.182 4.503 4.320 0.001 0.000 0.235 712 A C 0.711 178.354 177.584 0.098 0.000 1.065 712 A CA 0.034 52.130 52.037 0.099 0.000 0.764 712 A CB 0.195 19.255 19.000 0.100 0.000 1.002 712 A HN 0.141 nan 8.150 nan 0.000 0.502 713 S N 0.077 115.827 115.700 0.083 0.000 2.562 713 S HA 0.469 4.939 4.470 0.001 0.000 0.275 713 S C 0.557 175.215 174.600 0.096 0.000 1.281 713 S CA -0.058 58.187 58.200 0.075 0.000 1.045 713 S CB 0.039 63.276 63.200 0.061 0.000 0.962 713 S HN 0.989 nan 8.310 nan 0.000 0.503 714 I N 1.654 122.276 120.570 0.087 0.000 3.833 714 I HA 0.331 4.502 4.170 0.001 0.000 0.328 714 I C 0.289 176.450 176.117 0.074 0.000 1.554 714 I CA -0.681 60.692 61.300 0.122 0.000 1.116 714 I CB 0.129 38.219 38.000 0.150 0.000 1.182 714 I HN 0.518 nan 8.210 nan 0.000 0.459 715 T N -1.353 113.233 114.554 0.054 0.000 2.817 715 T HA 0.432 4.782 4.350 0.001 0.000 0.293 715 T C -0.160 174.581 174.700 0.068 0.000 0.964 715 T CA -0.309 61.816 62.100 0.041 0.000 1.085 715 T CB 1.582 70.466 68.868 0.026 0.000 0.921 715 T HN 0.283 nan 8.240 nan 0.000 0.502 716 E N 2.776 123.019 120.200 0.071 0.000 2.105 716 E HA 0.159 4.509 4.350 0.001 0.000 0.285 716 E C 0.842 177.476 176.600 0.058 0.000 1.055 716 E CA -0.601 55.848 56.400 0.081 0.000 0.843 716 E CB 0.472 30.227 29.700 0.092 0.000 1.067 716 E HN 0.722 nan 8.360 nan 0.000 0.398 717 N N 1.907 120.640 118.700 0.055 0.000 2.434 717 N HA -0.071 4.670 4.740 0.001 0.000 0.196 717 N C -0.671 174.859 175.510 0.034 0.000 1.183 717 N CA 0.010 53.086 53.050 0.044 0.000 0.849 717 N CB 0.151 38.665 38.487 0.046 0.000 0.992 717 N HN 0.292 nan 8.380 nan 0.000 0.460 718 S N -1.591 114.117 115.700 0.014 0.000 2.688 718 S HA 0.184 4.655 4.470 0.001 0.000 0.269 718 S C 0.310 174.850 174.600 -0.101 0.000 1.060 718 S CA -0.752 57.430 58.200 -0.030 0.000 0.844 718 S CB -0.702 62.453 63.200 -0.075 0.000 1.095 718 S HN 0.042 nan 8.310 nan 0.000 0.466 719 F N 0.492 120.352 119.950 -0.149 0.000 2.250 719 F HA 0.167 4.695 4.527 0.001 0.000 0.301 719 F C 1.471 177.140 175.800 -0.218 0.000 1.077 719 F CA 0.752 58.639 58.000 -0.188 0.000 1.348 719 F CB -0.815 38.021 39.000 -0.272 0.000 1.040 719 F HN 0.440 nan 8.300 nan 0.000 0.509 720 F N 0.951 120.199 119.950 -1.169 0.000 2.095 720 F HA -0.201 4.326 4.527 0.001 0.000 0.298 720 F C 2.444 177.684 175.800 -0.933 0.000 1.104 720 F CA 1.516 58.856 58.000 -1.099 0.000 1.232 720 F CB -0.849 37.539 39.000 -1.021 0.000 0.987 720 F HN 0.003 nan 8.300 nan 0.000 0.475 721 M N -0.927 118.509 119.600 -0.274 0.000 2.229 721 M HA -0.102 4.379 4.480 0.001 0.000 0.264 721 M C 2.066 178.413 176.300 0.079 0.000 1.063 721 M CA 1.400 56.688 55.300 -0.020 0.000 1.114 721 M CB -2.081 30.578 32.600 0.098 0.000 1.387 721 M HN 0.061 nan 8.290 nan 0.000 0.420 722 T N 0.890 115.473 114.554 0.049 0.000 2.777 722 T HA -0.114 4.237 4.350 0.001 0.000 0.266 722 T C 1.597 176.391 174.700 0.157 0.000 1.040 722 T CA 1.168 63.337 62.100 0.115 0.000 1.141 722 T CB -0.432 68.500 68.868 0.106 0.000 0.868 722 T HN 0.314 nan 8.240 nan 0.000 0.444 723 F N 1.235 121.174 119.950 -0.019 0.000 2.051 723 F HA -0.123 4.405 4.527 0.001 0.000 0.296 723 F C 1.799 177.698 175.800 0.166 0.000 1.122 723 F CA 1.331 59.355 58.000 0.040 0.000 1.201 723 F CB -0.358 38.612 39.000 -0.049 0.000 0.978 723 F HN 0.030 nan 8.300 nan 0.000 0.472 724 F N 1.034 121.260 119.950 0.461 0.000 2.032 724 F HA -0.288 4.240 4.527 0.001 0.000 0.297 724 F C 2.770 178.693 175.800 0.206 0.000 1.125 724 F CA 2.003 60.192 58.000 0.315 0.000 1.202 724 F CB -1.646 37.472 39.000 0.197 0.000 0.958 724 F HN -0.001 nan 8.300 nan 0.000 0.491 725 R N 0.374 121.101 120.500 0.378 0.000 2.083 725 R HA -0.163 4.177 4.340 0.001 0.000 0.237 725 R C 2.296 178.698 176.300 0.169 0.000 1.137 725 R CA 1.961 58.207 56.100 0.243 0.000 0.951 725 R CB -0.529 29.909 30.300 0.230 0.000 0.851 725 R HN 0.269 nan 8.270 nan 0.000 0.434 726 S N -0.154 115.619 115.700 0.122 0.000 2.368 726 S HA -0.176 4.294 4.470 0.001 0.000 0.225 726 S C 1.540 176.148 174.600 0.013 0.000 1.030 726 S CA 1.323 59.548 58.200 0.042 0.000 0.999 726 S CB -0.455 62.730 63.200 -0.025 0.000 0.844 726 S HN 0.477 nan 8.310 nan 0.000 0.459 727 Y N 1.403 121.613 120.300 -0.150 0.000 2.242 727 Y HA -0.033 4.518 4.550 0.001 0.000 0.291 727 Y C 1.875 177.765 175.900 -0.016 0.000 1.137 727 Y CA 1.333 59.347 58.100 -0.143 0.000 1.181 727 Y CB -0.069 38.295 38.460 -0.160 0.000 0.989 727 Y HN 0.191 nan 8.280 nan 0.000 0.527 728 I N -0.835 119.843 120.570 0.179 0.000 2.429 728 I HA -0.092 4.078 4.170 0.001 0.000 0.247 728 I C 1.392 177.531 176.117 0.038 0.000 1.099 728 I CA 0.130 61.487 61.300 0.095 0.000 1.422 728 I CB 0.055 38.132 38.000 0.129 0.000 1.112 728 I HN 0.064 nan 8.210 nan 0.000 0.430 729 I N 0.000 120.610 120.570 0.067 0.000 2.984 729 I HA 0.000 4.171 4.170 0.001 0.000 0.288 729 I CA 0.000 61.357 61.300 0.095 0.000 1.566 729 I CB 0.000 38.056 38.000 0.093 0.000 1.214 729 I HN 0.000 nan 8.210 nan 0.000 0.494