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 1v7w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYGYFDNDN REYVITRPDV PAPWTNYLGT EKFCTVISHN AGGYSFYNSP DATA SEQUENCE EYNRVTKFRP NATFDRPGHY VYLRDDDSGD YWSISWQPVA KSLDEAQYQI DATA SEQUENCE RHGLSYSKFQ CDYNGIHARK TLFVPKGEDA EIWDVVIKNT SDQVRTISAF DATA SEQUENCE SFVEFSFSHI QSDNQNHQMS LYSAGTAYRP GLIEYDLYYN TDDFEGFYYL DATA SEQUENCE ASTFDPDSYD GQRDRFLGLY RDEANPLAVE QGRCSNSAQT CYNHCGSLHK DATA SEQUENCE QFTLQPGEEI RFAYILGIGK GNGERLREHY QDVANIDAAF AAIKAHWDER DATA SEQUENCE CAKFQVKSPN QGLDTMINAW TLYQAETCVV WSRFASFIEV GGRTGLGYRD DATA SEQUENCE TAQDAISVPH ANPEMTRKRI VDLLRGQVKA GYGLHLFDPD WFDPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXIHGI KDTCSDDHLW LIPTICKYVM ETGETSFFDQ DATA SEQUENCE MIPYADGGEA SVYEHMKAAL DFSAEYVGQT GICKGLRADW NDCLNLGGGE DATA SEQUENCE SSMVSFLHFW ALQEFIDLAK FLGKDQDVNT YTEMAANVRE ACETHLWDDE DATA SEQUENCE GGWYIRGLTK NGDKIGTAQQ QEGRVHLESN TLAVLSGLAS QERGEQAMDA DATA SEQUENCE VDEHLFSPYG LHLNAPSFST PNDDIGFVTR VYQGVKENGA IFSHPNPWAW DATA SEQUENCE VAETKLGRGD RAMKFYDALN PYNQNDIIEK RIAEPYSYVQ FIMGRDHQDH DATA SEQUENCE GRANHPWLTG TSGWAYFAVT NYILGVQSGF TGLSVDPCIP SDWPGFEVTR DATA SEQUENCE QWRGATYHIQ VENPDHVSKG VKSITLNGAP IQGRIPPQAQ GSDNQVVVVL DATA SEQUENCE G 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 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 K N 2.104 122.430 120.400 -0.122 0.000 2.443 2 K HA 0.676 4.997 4.320 0.001 0.000 0.251 2 K C -1.289 175.169 176.600 -0.236 0.000 0.972 2 K CA -0.666 55.622 56.287 0.001 0.000 0.833 2 K CB 1.815 34.346 32.500 0.052 0.000 1.317 2 K HN 0.729 nan 8.250 nan 0.000 0.441 3 Y N -0.310 120.053 120.300 0.104 0.000 2.527 3 Y HA 0.358 4.909 4.550 0.001 0.000 0.247 3 Y C 0.673 176.612 175.900 0.066 0.000 1.138 3 Y CA -0.009 58.085 58.100 -0.009 0.000 1.228 3 Y CB 2.069 40.371 38.460 -0.263 0.000 1.252 3 Y HN 0.972 nan 8.280 nan 0.000 0.531 4 G N -0.516 108.440 108.800 0.260 0.000 2.428 4 G HA2 0.444 4.405 3.960 0.001 0.000 0.305 4 G HA3 0.444 4.405 3.960 0.001 0.000 0.305 4 G C -2.128 172.745 174.900 -0.044 0.000 1.260 4 G CA -0.477 44.637 45.100 0.024 0.000 0.853 4 G HN 0.012 nan 8.290 nan 0.000 0.480 5 Y N -2.283 117.632 120.300 -0.641 0.000 2.656 5 Y HA 0.759 5.310 4.550 0.001 0.000 0.334 5 Y C -1.601 173.884 175.900 -0.693 0.000 1.179 5 Y CA -2.175 55.662 58.100 -0.437 0.000 1.050 5 Y CB 0.824 39.189 38.460 -0.158 0.000 1.308 5 Y HN 0.483 nan 8.280 nan 0.000 0.456 6 F N 2.056 121.976 119.950 -0.049 0.000 2.438 6 F HA 0.270 4.797 4.527 0.001 0.000 0.356 6 F C 0.321 176.251 175.800 0.217 0.000 1.099 6 F CA -0.006 58.034 58.000 0.067 0.000 1.185 6 F CB 0.816 39.998 39.000 0.304 0.000 1.115 6 F HN 0.526 nan 8.300 nan 0.000 0.526 7 D N 3.521 124.095 120.400 0.290 0.000 2.485 7 D HA 0.150 4.790 4.640 0.001 0.000 0.229 7 D C 0.545 177.041 176.300 0.327 0.000 1.101 7 D CA -0.151 54.029 54.000 0.300 0.000 0.906 7 D CB 0.187 41.089 40.800 0.169 0.000 1.019 7 D HN 0.449 nan 8.370 nan 0.000 0.516 8 N N 1.926 120.822 118.700 0.327 0.000 2.120 8 N HA -0.141 4.600 4.740 0.001 0.000 0.188 8 N C 1.007 176.633 175.510 0.193 0.000 1.024 8 N CA 0.949 54.165 53.050 0.276 0.000 0.852 8 N CB 0.173 38.793 38.487 0.222 0.000 1.003 8 N HN 0.441 nan 8.380 nan 0.000 0.424 9 D N 0.205 120.704 120.400 0.166 0.000 2.149 9 D HA -0.105 4.535 4.640 0.001 0.000 0.198 9 D C 0.631 177.006 176.300 0.124 0.000 0.990 9 D CA 1.120 55.196 54.000 0.126 0.000 0.839 9 D CB -0.351 40.515 40.800 0.111 0.000 0.948 9 D HN 0.469 nan 8.370 nan 0.000 0.460 10 N N -0.181 118.607 118.700 0.147 0.000 2.236 10 N HA 0.119 4.860 4.740 0.001 0.000 0.196 10 N C -0.296 175.304 175.510 0.149 0.000 1.114 10 N CA -0.226 52.912 53.050 0.146 0.000 0.859 10 N CB 0.579 39.158 38.487 0.154 0.000 0.982 10 N HN -0.068 nan 8.380 nan 0.000 0.493 11 R N 1.100 121.688 120.500 0.148 0.000 3.264 11 R HA -0.186 4.154 4.340 0.001 0.000 0.251 11 R C -1.286 175.084 176.300 0.116 0.000 0.971 11 R CA 0.791 56.937 56.100 0.078 0.000 0.658 11 R CB -1.498 28.749 30.300 -0.090 0.000 1.095 11 R HN 0.478 nan 8.270 nan 0.000 0.443 12 E N -0.293 120.103 120.200 0.327 0.000 2.367 12 E HA 0.246 4.596 4.350 0.001 0.000 0.273 12 E C -1.538 175.241 176.600 0.299 0.000 0.903 12 E CA -0.901 55.703 56.400 0.341 0.000 0.764 12 E CB 1.645 31.440 29.700 0.157 0.000 1.252 12 E HN 0.187 nan 8.360 nan 0.000 0.446 13 Y N 1.500 121.776 120.300 -0.040 0.000 2.331 13 Y HA 0.368 4.919 4.550 0.001 0.000 0.338 13 Y C -1.053 174.601 175.900 -0.410 0.000 0.976 13 Y CA -0.701 57.092 58.100 -0.510 0.000 1.137 13 Y CB 0.923 38.757 38.460 -1.042 0.000 1.172 13 Y HN 0.232 nan 8.280 nan 0.000 0.478 14 V N 8.446 127.695 119.914 -1.110 0.000 2.364 14 V HA 0.276 4.397 4.120 0.001 0.000 0.272 14 V C 0.060 175.710 176.094 -0.740 0.000 1.036 14 V CA -0.630 61.154 62.300 -0.859 0.000 0.880 14 V CB 0.722 31.860 31.823 -1.143 0.000 0.991 14 V HN 0.647 nan 8.190 nan 0.000 0.460 15 I N 4.955 125.348 120.570 -0.296 0.000 2.304 15 I HA 0.206 4.376 4.170 0.001 0.000 0.291 15 I C 1.486 177.560 176.117 -0.071 0.000 1.018 15 I CA -0.087 61.167 61.300 -0.077 0.000 1.260 15 I CB 1.784 39.786 38.000 0.003 0.000 1.390 15 I HN 0.795 nan 8.210 nan 0.000 0.475 16 T N 2.765 117.300 114.554 -0.031 0.000 3.057 16 T HA 0.101 4.452 4.350 0.001 0.000 0.254 16 T C 0.661 175.363 174.700 0.004 0.000 1.094 16 T CA -0.040 62.065 62.100 0.008 0.000 1.088 16 T CB -0.005 68.892 68.868 0.047 0.000 0.934 16 T HN 0.673 nan 8.240 nan 0.000 0.497 17 R N 0.623 121.119 120.500 -0.006 0.000 2.515 17 R HA 0.434 4.774 4.340 0.001 0.000 0.291 17 R C -2.876 173.389 176.300 -0.058 0.000 1.046 17 R CA -1.909 54.163 56.100 -0.046 0.000 0.914 17 R CB 1.143 31.403 30.300 -0.067 0.000 1.191 17 R HN -0.136 nan 8.270 nan 0.000 0.435 18 P HA -0.085 nan 4.420 nan 0.000 0.241 18 P C -0.400 176.873 177.300 -0.045 0.000 1.191 18 P CA 0.633 63.713 63.100 -0.033 0.000 0.771 18 P CB 0.185 31.867 31.700 -0.029 0.000 0.929 19 D N 0.383 120.609 120.400 -0.290 0.000 2.870 19 D HA 0.046 4.687 4.640 0.001 0.000 0.241 19 D C 0.297 176.499 176.300 -0.163 0.000 1.234 19 D CA -0.655 53.271 54.000 -0.124 0.000 0.844 19 D CB -0.777 39.903 40.800 -0.200 0.000 1.051 19 D HN -0.065 nan 8.370 nan 0.000 0.469 20 V N 2.092 121.742 119.914 -0.440 0.000 2.872 20 V HA 0.018 4.139 4.120 0.001 0.000 0.307 20 V C -0.618 175.109 176.094 -0.612 0.000 1.072 20 V CA -0.866 60.752 62.300 -1.137 0.000 1.148 20 V CB 0.869 31.749 31.823 -1.572 0.000 0.954 20 V HN 0.223 nan 8.190 nan 0.000 0.490 21 P HA 0.081 nan 4.420 nan 0.000 0.239 21 P C 0.028 177.257 177.300 -0.119 0.000 1.184 21 P CA 1.001 63.957 63.100 -0.240 0.000 0.760 21 P CB 0.377 31.976 31.700 -0.168 0.000 0.884 22 A N -0.732 122.003 122.820 -0.142 0.000 2.601 22 A HA 0.633 4.953 4.320 0.001 0.000 0.291 22 A C -3.206 174.464 177.584 0.143 0.000 1.075 22 A CA -1.560 50.508 52.037 0.053 0.000 0.671 22 A CB 0.558 19.638 19.000 0.133 0.000 1.277 22 A HN -0.254 nan 8.150 nan 0.000 0.417 23 P HA 0.293 nan 4.420 nan 0.000 0.276 23 P C -1.300 176.297 177.300 0.496 0.000 1.243 23 P CA 0.250 63.588 63.100 0.396 0.000 0.768 23 P CB 0.245 32.210 31.700 0.442 0.000 0.856 24 W N 3.570 125.095 121.300 0.375 0.000 2.291 24 W HA 0.302 4.963 4.660 0.001 0.000 0.312 24 W C 0.477 177.181 176.519 0.308 0.000 1.061 24 W CA -0.481 56.998 57.345 0.223 0.000 1.296 24 W CB 0.395 29.933 29.460 0.130 0.000 1.223 24 W HN 0.259 nan 8.180 nan 0.000 0.421 25 T N 0.352 115.060 114.554 0.256 0.000 2.936 25 T HA 0.662 5.012 4.350 0.001 0.000 0.282 25 T C -0.484 174.117 174.700 -0.165 0.000 1.003 25 T CA -0.593 61.423 62.100 -0.140 0.000 1.005 25 T CB 2.356 70.810 68.868 -0.690 0.000 1.097 25 T HN 0.217 nan 8.240 nan 0.000 0.532 26 N N -1.290 117.045 118.700 -0.608 0.000 2.494 26 N HA 0.422 5.162 4.740 0.001 0.000 0.270 26 N C -2.348 172.696 175.510 -0.776 0.000 1.285 26 N CA -0.802 51.916 53.050 -0.554 0.000 0.812 26 N CB 1.406 39.533 38.487 -0.601 0.000 1.557 26 N HN 0.689 nan 8.380 nan 0.000 0.487 27 Y N 0.857 120.718 120.300 -0.733 0.000 2.335 27 Y HA 0.509 5.060 4.550 0.001 0.000 0.338 27 Y C -0.263 175.519 175.900 -0.198 0.000 0.977 27 Y CA -0.576 57.176 58.100 -0.581 0.000 1.114 27 Y CB 1.203 39.249 38.460 -0.690 0.000 1.182 27 Y HN 0.257 nan 8.280 nan 0.000 0.463 28 L N 3.205 124.348 121.223 -0.134 0.000 2.322 28 L HA 0.895 5.235 4.340 0.001 0.000 0.279 28 L C 0.369 177.278 176.870 0.064 0.000 1.036 28 L CA -0.902 53.975 54.840 0.062 0.000 0.807 28 L CB 1.527 43.628 42.059 0.070 0.000 1.226 28 L HN 0.832 nan 8.230 nan 0.000 0.433 29 G N 0.917 109.872 108.800 0.260 0.000 2.770 29 G HA2 -0.009 3.951 3.960 0.001 0.000 0.686 29 G HA3 -0.009 3.951 3.960 0.001 0.000 0.686 29 G C -0.076 175.203 174.900 0.631 0.000 1.180 29 G CA -0.172 45.150 45.100 0.371 0.000 0.767 29 G HN 0.870 nan 8.290 nan 0.000 0.646 30 T N -2.381 112.461 114.554 0.481 0.000 3.087 30 T HA 0.471 4.821 4.350 0.001 0.000 0.283 30 T C 0.866 175.604 174.700 0.063 0.000 0.956 30 T CA 1.083 63.333 62.100 0.250 0.000 0.894 30 T CB 0.539 69.313 68.868 -0.157 0.000 1.160 30 T HN 0.629 nan 8.240 nan 0.000 0.532 31 E N 0.812 121.124 120.200 0.186 0.000 2.872 31 E HA 0.386 4.737 4.350 0.001 0.000 0.221 31 E C 1.107 177.739 176.600 0.052 0.000 1.119 31 E CA -0.438 55.992 56.400 0.050 0.000 1.048 31 E CB 0.513 30.286 29.700 0.121 0.000 2.574 31 E HN -0.073 nan 8.360 nan 0.000 0.568 32 K N -0.116 120.458 120.400 0.289 0.000 2.462 32 K HA 0.238 4.559 4.320 0.001 0.000 0.201 32 K C -0.140 176.652 176.600 0.320 0.000 1.268 32 K CA -0.138 56.280 56.287 0.218 0.000 0.933 32 K CB 0.509 32.986 32.500 -0.038 0.000 1.162 32 K HN 0.025 nan 8.250 nan 0.000 0.527 33 F N 1.798 121.906 119.950 0.264 0.000 2.424 33 F HA 0.240 4.768 4.527 0.001 0.000 0.356 33 F C -0.249 175.405 175.800 -0.243 0.000 1.110 33 F CA -0.599 57.440 58.000 0.066 0.000 1.161 33 F CB 0.751 39.849 39.000 0.163 0.000 1.115 33 F HN -0.062 nan 8.300 nan 0.000 0.507 34 C N 5.148 123.821 119.300 -1.045 0.000 2.634 34 C HA 0.819 5.279 4.460 0.001 0.000 0.313 34 C C -0.819 173.531 174.990 -1.068 0.000 1.198 34 C CA -0.064 58.176 59.018 -1.296 0.000 1.605 34 C CB 1.222 27.492 27.740 -2.449 0.000 2.196 34 C HN 0.925 nan 8.230 nan 0.000 0.486 35 T N 4.049 118.181 114.554 -0.703 0.000 2.881 35 T HA 0.485 4.836 4.350 0.001 0.000 0.290 35 T C -0.902 173.312 174.700 -0.808 0.000 1.000 35 T CA -0.326 61.408 62.100 -0.609 0.000 0.978 35 T CB 1.499 70.204 68.868 -0.271 0.000 0.997 35 T HN 0.580 nan 8.240 nan 0.000 0.443 36 V N 4.497 123.801 119.914 -1.017 0.000 2.318 36 V HA 0.523 4.644 4.120 0.001 0.000 0.271 36 V C -0.331 175.275 176.094 -0.813 0.000 1.030 36 V CA -0.645 60.933 62.300 -1.202 0.000 0.844 36 V CB 0.662 31.733 31.823 -1.253 0.000 1.015 36 V HN 0.748 nan 8.190 nan 0.000 0.460 37 I N 4.869 125.040 120.570 -0.665 0.000 2.569 37 I HA 0.661 4.831 4.170 0.001 0.000 0.296 37 I C 0.476 176.468 176.117 -0.209 0.000 1.028 37 I CA 0.344 61.436 61.300 -0.346 0.000 1.082 37 I CB 2.375 40.257 38.000 -0.197 0.000 1.264 37 I HN 0.712 nan 8.210 nan 0.000 0.429 38 S N 5.360 121.068 115.700 0.012 0.000 2.730 38 S HA 0.320 4.791 4.470 0.001 0.000 0.284 38 S C 1.159 176.013 174.600 0.423 0.000 1.153 38 S CA -0.066 58.226 58.200 0.153 0.000 0.995 38 S CB 0.687 63.993 63.200 0.177 0.000 1.058 38 S HN 0.779 nan 8.310 nan 0.000 0.552 39 H N 0.294 119.624 119.070 0.434 0.000 2.559 39 H HA 0.145 4.702 4.556 0.001 0.000 0.273 39 H C 0.140 175.750 175.328 0.470 0.000 1.000 39 H CA 0.617 56.890 56.048 0.374 0.000 1.195 39 H CB -0.465 29.405 29.762 0.180 0.000 1.368 39 H HN 0.503 nan 8.280 nan 0.000 0.592 40 N N 0.596 119.240 118.700 -0.093 0.000 2.273 40 N HA 0.233 4.974 4.740 0.001 0.000 0.231 40 N C 0.629 176.161 175.510 0.036 0.000 1.134 40 N CA 0.665 53.686 53.050 -0.048 0.000 0.856 40 N CB 0.781 39.167 38.487 -0.169 0.000 1.068 40 N HN 0.484 nan 8.380 nan 0.000 0.510 41 A N -0.602 122.244 122.820 0.043 0.000 2.829 41 A HA -0.155 4.165 4.320 0.001 0.000 0.267 41 A C 0.969 178.529 177.584 -0.040 0.000 1.370 41 A CA 1.116 53.047 52.037 -0.178 0.000 0.900 41 A CB -2.027 16.707 19.000 -0.443 0.000 1.044 41 A HN 0.386 nan 8.150 nan 0.000 0.691 42 G N -2.199 106.686 108.800 0.140 0.000 2.507 42 G HA2 0.782 4.742 3.960 0.001 0.000 0.271 42 G HA3 0.782 4.742 3.960 0.001 0.000 0.271 42 G C 0.704 175.705 174.900 0.168 0.000 1.189 42 G CA 0.715 45.940 45.100 0.209 0.000 0.859 42 G HN 2.387 nan 8.290 nan 0.000 0.542 43 G N -0.781 108.067 108.800 0.080 0.000 2.315 43 G HA2 0.523 4.483 3.960 0.001 0.000 0.296 43 G HA3 0.523 4.483 3.960 0.001 0.000 0.296 43 G C -1.068 173.662 174.900 -0.284 0.000 1.289 43 G CA -0.045 44.917 45.100 -0.230 0.000 0.996 43 G HN 1.971 nan 8.290 nan 0.000 0.487 44 Y N -2.374 117.649 120.300 -0.461 0.000 2.670 44 Y HA 0.870 5.421 4.550 0.001 0.000 0.334 44 Y C -0.221 175.521 175.900 -0.264 0.000 1.185 44 Y CA -0.798 57.123 58.100 -0.299 0.000 1.053 44 Y CB 0.968 39.304 38.460 -0.206 0.000 1.298 44 Y HN 0.882 nan 8.280 nan 0.000 0.459 45 S N 1.246 116.942 115.700 -0.006 0.000 2.600 45 S HA 0.850 5.320 4.470 0.001 0.000 0.300 45 S C -1.437 173.079 174.600 -0.139 0.000 1.087 45 S CA -0.684 57.350 58.200 -0.277 0.000 0.965 45 S CB 1.603 64.612 63.200 -0.319 0.000 1.089 45 S HN 0.810 nan 8.310 nan 0.000 0.496 46 F N -0.448 119.203 119.950 -0.498 0.000 2.686 46 F HA 0.717 5.245 4.527 0.001 0.000 0.311 46 F C -1.813 173.791 175.800 -0.327 0.000 1.128 46 F CA -1.395 56.435 58.000 -0.283 0.000 0.946 46 F CB 1.006 39.966 39.000 -0.067 0.000 1.336 46 F HN 0.549 nan 8.300 nan 0.000 0.457 47 Y N 3.335 123.647 120.300 0.020 0.000 2.338 47 Y HA 0.391 4.941 4.550 0.001 0.000 0.328 47 Y C 0.721 176.838 175.900 0.363 0.000 0.965 47 Y CA -0.340 57.814 58.100 0.089 0.000 1.208 47 Y CB 0.849 39.404 38.460 0.158 0.000 1.132 47 Y HN 1.042 nan 8.280 nan 0.000 0.469 48 N N 1.857 120.501 118.700 -0.093 0.000 2.782 48 N HA -0.291 4.450 4.740 0.001 0.000 0.218 48 N C -0.612 175.096 175.510 0.330 0.000 0.208 48 N CA 2.178 55.261 53.050 0.055 0.000 3.966 48 N CB -1.273 37.100 38.487 -0.191 0.000 0.926 48 N HN 0.533 nan 8.380 nan 0.000 0.246 49 S N 0.272 116.155 115.700 0.305 0.000 2.438 49 S HA 0.521 4.992 4.470 0.001 0.000 0.316 49 S C -1.778 172.835 174.600 0.021 0.000 1.084 49 S CA -1.175 57.124 58.200 0.166 0.000 1.107 49 S CB 1.695 65.020 63.200 0.208 0.000 0.981 49 S HN 0.321 nan 8.310 nan 0.000 0.466 50 P HA -0.082 nan 4.420 nan 0.000 0.219 50 P C 1.016 178.115 177.300 -0.335 0.000 1.150 50 P CA 0.874 63.553 63.100 -0.700 0.000 0.814 50 P CB 0.324 31.430 31.700 -0.990 0.000 0.787 51 E N -0.380 119.603 120.200 -0.362 0.000 2.107 51 E HA -0.147 4.204 4.350 0.001 0.000 0.191 51 E C 1.152 177.379 176.600 -0.622 0.000 0.982 51 E CA 1.315 57.383 56.400 -0.554 0.000 0.809 51 E CB -0.588 28.613 29.700 -0.831 0.000 0.756 51 E HN 0.255 nan 8.360 nan 0.000 0.459 52 Y N -0.797 119.464 120.300 -0.066 0.000 2.445 52 Y HA 0.396 4.946 4.550 0.001 0.000 0.247 52 Y C 0.408 176.433 175.900 0.209 0.000 1.129 52 Y CA -0.146 57.904 58.100 -0.083 0.000 1.251 52 Y CB 0.689 39.037 38.460 -0.187 0.000 1.176 52 Y HN -0.012 nan 8.280 nan 0.000 0.522 53 N N 0.742 119.642 118.700 0.334 0.000 2.588 53 N HA 0.099 4.839 4.740 0.001 0.000 0.298 53 N C -0.424 175.300 175.510 0.357 0.000 1.718 53 N CA -0.205 53.096 53.050 0.419 0.000 0.888 53 N CB 0.778 39.560 38.487 0.491 0.000 1.389 53 N HN 0.186 nan 8.380 nan 0.000 0.491 54 R N 0.640 121.304 120.500 0.274 0.000 2.537 54 R HA 0.174 4.515 4.340 0.001 0.000 0.280 54 R C 0.716 177.115 176.300 0.165 0.000 1.058 54 R CA -0.019 56.199 56.100 0.197 0.000 1.057 54 R CB 0.861 31.213 30.300 0.088 0.000 0.973 54 R HN -0.142 nan 8.270 nan 0.000 0.438 55 V N 2.262 122.155 119.914 -0.034 0.000 2.672 55 V HA 0.018 4.138 4.120 0.001 0.000 0.242 55 V C 0.650 176.666 176.094 -0.130 0.000 1.059 55 V CA 1.503 63.578 62.300 -0.375 0.000 1.081 55 V CB 0.445 31.932 31.823 -0.560 0.000 0.752 55 V HN 0.993 nan 8.190 nan 0.000 0.472 56 T N -1.460 113.074 114.554 -0.033 0.000 2.907 56 T HA 0.516 4.866 4.350 0.001 0.000 0.292 56 T C -0.619 174.090 174.700 0.016 0.000 1.043 56 T CA -0.813 61.260 62.100 -0.044 0.000 1.003 56 T CB 2.330 71.187 68.868 -0.018 0.000 1.084 56 T HN 0.116 nan 8.240 nan 0.000 0.483 57 K N 0.584 120.960 120.400 -0.040 0.000 2.180 57 K HA 0.550 4.870 4.320 0.001 0.000 0.251 57 K C -1.212 175.455 176.600 0.111 0.000 1.014 57 K CA -0.519 55.764 56.287 -0.007 0.000 0.913 57 K CB 0.419 32.886 32.500 -0.056 0.000 1.008 57 K HN 0.570 nan 8.250 nan 0.000 0.490 58 F N 0.804 120.660 119.950 -0.156 0.000 2.605 58 F HA 0.260 4.788 4.527 0.001 0.000 0.320 58 F C -1.078 174.626 175.800 -0.160 0.000 1.159 58 F CA -0.726 57.169 58.000 -0.174 0.000 0.999 58 F CB 1.370 40.198 39.000 -0.286 0.000 1.258 58 F HN 0.294 nan 8.300 nan 0.000 0.464 59 R N 6.926 127.014 120.500 -0.687 0.000 2.233 59 R HA 0.365 4.705 4.340 0.001 0.000 0.334 59 R C -2.582 173.172 176.300 -0.910 0.000 1.037 59 R CA -1.597 54.184 56.100 -0.533 0.000 0.920 59 R CB 0.922 31.041 30.300 -0.300 0.000 1.137 59 R HN 0.345 nan 8.270 nan 0.000 0.492 60 P HA 0.051 nan 4.420 nan 0.000 0.278 60 P C -0.368 176.793 177.300 -0.232 0.000 1.266 60 P CA -0.410 62.392 63.100 -0.496 0.000 0.807 60 P CB 0.616 32.243 31.700 -0.122 0.000 1.094 61 N N -2.022 116.619 118.700 -0.100 0.000 2.721 61 N HA -0.196 4.545 4.740 0.001 0.000 0.249 61 N C -0.882 174.596 175.510 -0.054 0.000 1.072 61 N CA 1.034 54.067 53.050 -0.028 0.000 0.710 61 N CB -1.495 36.990 38.487 -0.004 0.000 0.993 61 N HN 0.671 nan 8.380 nan 0.000 0.547 62 A N -1.730 121.035 122.820 -0.091 0.000 2.344 62 A HA 0.693 5.014 4.320 0.001 0.000 0.307 62 A C 1.538 179.071 177.584 -0.085 0.000 1.151 62 A CA 0.153 52.139 52.037 -0.086 0.000 0.842 62 A CB 0.288 19.227 19.000 -0.102 0.000 1.350 62 A HN 0.587 nan 8.150 nan 0.000 0.459 63 T N -1.948 112.516 114.554 -0.151 0.000 2.962 63 T HA 0.104 4.454 4.350 0.001 0.000 0.270 63 T C 0.061 174.536 174.700 -0.374 0.000 1.088 63 T CA 1.105 63.030 62.100 -0.292 0.000 1.127 63 T CB -0.491 68.108 68.868 -0.450 0.000 0.883 63 T HN 0.271 nan 8.240 nan 0.000 0.493 64 F N 2.396 122.313 119.950 -0.054 0.000 2.522 64 F HA 0.445 4.973 4.527 0.001 0.000 0.324 64 F C -0.486 175.276 175.800 -0.062 0.000 1.077 64 F CA -2.489 55.476 58.000 -0.057 0.000 0.944 64 F CB 1.538 40.487 39.000 -0.085 0.000 1.175 64 F HN 0.072 nan 8.300 nan 0.000 0.468 65 D N 2.100 122.636 120.400 0.226 0.000 2.518 65 D HA 0.311 4.952 4.640 0.001 0.000 0.230 65 D C -0.314 176.095 176.300 0.181 0.000 1.138 65 D CA -0.392 53.702 54.000 0.155 0.000 0.964 65 D CB 0.166 41.203 40.800 0.394 0.000 1.011 65 D HN 0.467 nan 8.370 nan 0.000 0.517 66 R N 1.572 122.078 120.500 0.010 0.000 2.854 66 R HA 0.564 4.904 4.340 0.001 0.000 0.271 66 R C -2.447 173.838 176.300 -0.025 0.000 0.994 66 R CA -1.749 54.410 56.100 0.099 0.000 0.945 66 R CB 2.402 32.764 30.300 0.102 0.000 1.194 66 R HN 0.195 nan 8.270 nan 0.000 0.476 67 P HA 0.332 nan 4.420 nan 0.000 0.318 67 P C -0.496 176.835 177.300 0.051 0.000 1.309 67 P CA -0.157 63.064 63.100 0.202 0.000 0.736 67 P CB 0.822 32.665 31.700 0.239 0.000 1.440 68 G N -2.345 106.209 108.800 -0.410 0.000 2.753 68 G HA2 0.327 4.287 3.960 0.001 0.000 0.303 68 G HA3 0.327 4.287 3.960 0.001 0.000 0.303 68 G C -1.632 172.834 174.900 -0.724 0.000 1.242 68 G CA -0.545 44.135 45.100 -0.700 0.000 0.810 68 G HN 0.566 nan 8.290 nan 0.000 0.515 69 H N 0.453 118.986 119.070 -0.894 0.000 2.643 69 H HA 0.408 4.965 4.556 0.001 0.000 0.259 69 H C -1.002 173.829 175.328 -0.828 0.000 1.298 69 H CA -0.386 55.182 56.048 -0.800 0.000 1.301 69 H CB 0.595 29.807 29.762 -0.916 0.000 1.422 69 H HN 0.254 nan 8.280 nan 0.000 0.521 70 Y N 0.966 121.211 120.300 -0.090 0.000 2.387 70 Y HA 0.375 4.926 4.550 0.001 0.000 0.330 70 Y C 0.144 176.069 175.900 0.042 0.000 1.133 70 Y CA -1.190 56.810 58.100 -0.167 0.000 1.152 70 Y CB 1.315 39.614 38.460 -0.267 0.000 1.215 70 Y HN 0.180 nan 8.280 nan 0.000 0.466 71 V N 3.564 123.548 119.914 0.117 0.000 2.443 71 V HA 0.341 4.461 4.120 0.001 0.000 0.293 71 V C -1.203 174.954 176.094 0.105 0.000 1.021 71 V CA -1.211 61.266 62.300 0.295 0.000 0.848 71 V CB 0.617 32.690 31.823 0.417 0.000 0.998 71 V HN 0.596 nan 8.190 nan 0.000 0.424 72 Y N 4.903 125.389 120.300 0.310 0.000 2.342 72 Y HA 0.662 5.213 4.550 0.001 0.000 0.334 72 Y C 0.173 176.163 175.900 0.151 0.000 1.067 72 Y CA -0.634 57.562 58.100 0.158 0.000 1.128 72 Y CB 1.410 39.931 38.460 0.101 0.000 1.200 72 Y HN 0.398 nan 8.280 nan 0.000 0.464 73 L N 4.111 125.276 121.223 -0.097 0.000 2.334 73 L HA 0.671 5.011 4.340 0.001 0.000 0.276 73 L C -0.392 176.202 176.870 -0.459 0.000 1.014 73 L CA -0.961 53.662 54.840 -0.361 0.000 0.815 73 L CB 2.201 43.720 42.059 -0.901 0.000 1.268 73 L HN 0.580 nan 8.230 nan 0.000 0.428 74 R N 1.390 121.847 120.500 -0.072 0.000 2.574 74 R HA 0.228 4.569 4.340 0.001 0.000 0.288 74 R C -1.459 175.007 176.300 0.278 0.000 1.004 74 R CA -0.669 55.534 56.100 0.172 0.000 0.895 74 R CB 1.932 32.414 30.300 0.303 0.000 1.191 74 R HN 0.578 nan 8.270 nan 0.000 0.444 75 D N 2.919 123.581 120.400 0.437 0.000 2.339 75 D HA 0.044 4.684 4.640 0.001 0.000 0.241 75 D C -0.231 176.224 176.300 0.258 0.000 1.183 75 D CA -0.092 54.135 54.000 0.378 0.000 0.859 75 D CB 1.217 42.257 40.800 0.399 0.000 1.067 75 D HN 0.495 nan 8.370 nan 0.000 0.484 76 D N 2.652 123.174 120.400 0.203 0.000 2.378 76 D HA -0.074 4.566 4.640 0.001 0.000 0.227 76 D C 0.698 177.069 176.300 0.118 0.000 1.012 76 D CA 0.407 54.498 54.000 0.152 0.000 0.905 76 D CB 0.479 41.355 40.800 0.127 0.000 0.895 76 D HN 0.486 nan 8.370 nan 0.000 0.532 77 D N -0.784 119.689 120.400 0.122 0.000 2.277 77 D HA -0.031 4.610 4.640 0.001 0.000 0.209 77 D C 1.970 178.323 176.300 0.087 0.000 0.970 77 D CA 0.693 54.747 54.000 0.090 0.000 0.874 77 D CB 0.337 41.186 40.800 0.081 0.000 0.982 77 D HN 0.206 nan 8.370 nan 0.000 0.504 78 S N -1.524 114.243 115.700 0.113 0.000 2.524 78 S HA 0.338 4.808 4.470 0.001 0.000 0.222 78 S C 1.763 176.436 174.600 0.121 0.000 1.040 78 S CA 0.751 59.013 58.200 0.103 0.000 0.915 78 S CB 1.267 64.528 63.200 0.101 0.000 0.831 78 S HN 0.213 nan 8.310 nan 0.000 0.492 79 G N 1.371 110.268 108.800 0.162 0.000 2.175 79 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 79 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 79 G C -0.233 174.822 174.900 0.259 0.000 0.982 79 G CA 0.144 45.351 45.100 0.178 0.000 0.641 79 G HN 0.700 nan 8.290 nan 0.000 0.527 80 D N 0.548 121.110 120.400 0.271 0.000 2.414 80 D HA 0.519 5.159 4.640 0.001 0.000 0.242 80 D C 0.300 176.925 176.300 0.542 0.000 1.129 80 D CA 0.261 54.447 54.000 0.310 0.000 0.885 80 D CB 0.133 41.114 40.800 0.301 0.000 1.198 80 D HN 0.669 nan 8.370 nan 0.000 0.437 81 Y N 0.329 120.896 120.300 0.444 0.000 2.562 81 Y HA 0.729 5.279 4.550 0.001 0.000 0.345 81 Y C -1.367 174.870 175.900 0.560 0.000 1.045 81 Y CA -1.480 56.873 58.100 0.420 0.000 1.028 81 Y CB 0.770 39.289 38.460 0.098 0.000 1.297 81 Y HN 0.524 nan 8.280 nan 0.000 0.463 82 W N 0.463 121.986 121.300 0.372 0.000 3.005 82 W HA 0.812 5.473 4.660 0.001 0.000 0.343 82 W C -1.855 174.829 176.519 0.276 0.000 1.243 82 W CA -1.116 56.360 57.345 0.217 0.000 1.186 82 W CB 0.853 30.352 29.460 0.065 0.000 1.453 82 W HN 0.780 nan 8.180 nan 0.000 0.575 83 S N 0.409 116.246 115.700 0.228 0.000 2.638 83 S HA 0.481 4.951 4.470 0.001 0.000 0.298 83 S C 0.396 175.149 174.600 0.256 0.000 1.111 83 S CA -0.891 57.311 58.200 0.004 0.000 1.027 83 S CB 1.833 64.855 63.200 -0.297 0.000 1.064 83 S HN 0.616 nan 8.310 nan 0.000 0.525 84 I N 1.165 121.837 120.570 0.170 0.000 2.315 84 I HA -0.096 4.074 4.170 0.001 0.000 0.248 84 I C 1.276 177.644 176.117 0.420 0.000 1.117 84 I CA 0.624 62.117 61.300 0.321 0.000 1.404 84 I CB -0.470 37.652 38.000 0.204 0.000 1.071 84 I HN 0.728 nan 8.210 nan 0.000 0.419 85 S N -0.501 115.281 115.700 0.137 0.000 2.610 85 S HA 0.006 4.476 4.470 0.001 0.000 0.273 85 S C 0.344 174.902 174.600 -0.069 0.000 1.274 85 S CA -0.778 57.465 58.200 0.073 0.000 1.023 85 S CB 1.290 64.378 63.200 -0.187 0.000 0.962 85 S HN 0.387 nan 8.310 nan 0.000 0.523 86 W N 2.388 123.323 121.300 -0.610 0.000 2.329 86 W HA -0.052 4.608 4.660 0.001 0.000 0.324 86 W C 0.884 177.125 176.519 -0.463 0.000 1.222 86 W CA 1.364 58.096 57.345 -1.022 0.000 1.270 86 W CB -0.606 28.320 29.460 -0.889 0.000 1.167 86 W HN 0.588 nan 8.180 nan 0.000 0.467 87 Q N 0.833 120.320 119.800 -0.523 0.000 2.368 87 Q HA 0.052 4.392 4.340 0.001 0.000 0.237 87 Q C -1.167 174.449 176.000 -0.640 0.000 0.987 87 Q CA -1.019 54.375 55.803 -0.682 0.000 0.896 87 Q CB 0.238 28.675 28.738 -0.501 0.000 1.241 87 Q HN 0.150 nan 8.270 nan 0.000 0.485 88 P HA -0.003 nan 4.420 nan 0.000 0.239 88 P C 1.018 177.991 177.300 -0.544 0.000 1.188 88 P CA 0.438 63.094 63.100 -0.738 0.000 0.794 88 P CB 0.449 31.677 31.700 -0.788 0.000 0.937 89 V N 0.963 120.652 119.914 -0.375 0.000 2.515 89 V HA -0.033 4.088 4.120 0.001 0.000 0.250 89 V C 1.513 177.421 176.094 -0.310 0.000 1.058 89 V CA 1.237 63.426 62.300 -0.184 0.000 1.064 89 V CB -1.808 30.049 31.823 0.058 0.000 0.675 89 V HN 0.292 nan 8.190 nan 0.000 0.461 90 A N 0.322 122.815 122.820 -0.546 0.000 2.667 90 A HA -0.253 4.067 4.320 0.001 0.000 0.298 90 A C 0.518 178.020 177.584 -0.137 0.000 1.483 90 A CA 0.978 52.542 52.037 -0.788 0.000 0.738 90 A CB -1.621 16.885 19.000 -0.823 0.000 1.067 90 A HN 0.541 nan 8.150 nan 0.000 0.451 91 K N 0.989 121.422 120.400 0.055 0.000 2.436 91 K HA 0.371 4.691 4.320 0.001 0.000 0.275 91 K C 0.793 177.555 176.600 0.270 0.000 0.999 91 K CA 0.850 57.179 56.287 0.069 0.000 0.980 91 K CB 0.578 33.001 32.500 -0.129 0.000 0.919 91 K HN 1.029 nan 8.250 nan 0.000 0.484 92 S N 3.956 119.743 115.700 0.145 0.000 2.593 92 S HA -0.051 4.420 4.470 0.001 0.000 0.300 92 S C 1.120 175.815 174.600 0.159 0.000 1.267 92 S CA -0.125 58.178 58.200 0.171 0.000 1.065 92 S CB -0.075 63.181 63.200 0.094 0.000 0.807 92 S HN 0.582 nan 8.310 nan 0.000 0.499 93 L N 3.639 124.934 121.223 0.120 0.000 2.622 93 L HA 0.025 4.365 4.340 0.001 0.000 0.233 93 L C 1.309 178.191 176.870 0.019 0.000 1.156 93 L CA 0.475 55.324 54.840 0.016 0.000 0.866 93 L CB -0.284 41.694 42.059 -0.136 0.000 0.980 93 L HN 0.633 nan 8.230 nan 0.000 0.448 94 D N -0.236 120.188 120.400 0.040 0.000 2.350 94 D HA -0.037 4.603 4.640 0.001 0.000 0.213 94 D C 1.517 177.844 176.300 0.045 0.000 1.031 94 D CA 0.617 54.635 54.000 0.030 0.000 0.861 94 D CB 0.596 41.414 40.800 0.030 0.000 0.926 94 D HN 0.473 nan 8.370 nan 0.000 0.520 95 E N -0.006 120.238 120.200 0.073 0.000 2.367 95 E HA 0.259 4.610 4.350 0.001 0.000 0.204 95 E C 0.438 177.136 176.600 0.164 0.000 0.840 95 E CA -0.033 56.442 56.400 0.125 0.000 1.051 95 E CB 1.088 30.905 29.700 0.195 0.000 1.051 95 E HN -0.018 nan 8.360 nan 0.000 0.509 96 A N 1.469 124.338 122.820 0.081 0.000 2.350 96 A HA 0.428 4.749 4.320 0.001 0.000 0.324 96 A C -0.923 176.615 177.584 -0.077 0.000 1.118 96 A CA -0.457 51.568 52.037 -0.020 0.000 0.783 96 A CB 1.340 20.220 19.000 -0.200 0.000 1.236 96 A HN 0.035 nan 8.150 nan 0.000 0.457 97 Q N 1.566 121.261 119.800 -0.176 0.000 2.333 97 Q HA 0.556 4.896 4.340 0.001 0.000 0.265 97 Q C -1.946 173.914 176.000 -0.234 0.000 0.989 97 Q CA -0.292 55.443 55.803 -0.113 0.000 0.842 97 Q CB 0.881 29.592 28.738 -0.045 0.000 1.262 97 Q HN 0.708 nan 8.270 nan 0.000 0.451 98 Y N 1.510 121.825 120.300 0.025 0.000 2.446 98 Y HA 0.411 4.961 4.550 0.001 0.000 0.338 98 Y C -0.215 175.714 175.900 0.047 0.000 1.055 98 Y CA -0.578 57.563 58.100 0.069 0.000 1.101 98 Y CB 2.185 40.695 38.460 0.083 0.000 1.221 98 Y HN 0.557 nan 8.280 nan 0.000 0.460 99 Q N 2.413 122.348 119.800 0.226 0.000 2.309 99 Q HA 0.626 4.966 4.340 0.001 0.000 0.273 99 Q C -2.202 173.840 176.000 0.070 0.000 1.040 99 Q CA -0.791 55.076 55.803 0.106 0.000 0.834 99 Q CB 2.063 30.840 28.738 0.064 0.000 1.345 99 Q HN 0.713 nan 8.270 nan 0.000 0.414 100 I N 2.507 123.049 120.570 -0.048 0.000 2.498 100 I HA 0.474 4.645 4.170 0.001 0.000 0.290 100 I C -0.687 175.254 176.117 -0.294 0.000 1.032 100 I CA -0.306 60.852 61.300 -0.236 0.000 1.073 100 I CB 2.082 39.904 38.000 -0.296 0.000 1.251 100 I HN 0.439 nan 8.210 nan 0.000 0.426 101 R N 4.487 124.813 120.500 -0.291 0.000 2.320 101 R HA 0.433 4.774 4.340 0.001 0.000 0.319 101 R C -1.041 175.185 176.300 -0.124 0.000 0.969 101 R CA -0.880 55.116 56.100 -0.173 0.000 0.857 101 R CB 0.806 31.086 30.300 -0.032 0.000 1.160 101 R HN 0.484 nan 8.270 nan 0.000 0.491 102 H N 1.203 120.219 119.070 -0.091 0.000 2.668 102 H HA 0.315 4.871 4.556 0.001 0.000 0.303 102 H C 0.541 175.811 175.328 -0.098 0.000 1.074 102 H CA -0.178 55.812 56.048 -0.096 0.000 1.406 102 H CB 1.640 31.349 29.762 -0.088 0.000 1.442 102 H HN 0.807 nan 8.280 nan 0.000 0.482 103 G N 1.635 110.226 108.800 -0.347 0.000 3.016 103 G HA2 0.395 4.356 3.960 0.001 0.000 0.270 103 G HA3 0.395 4.356 3.960 0.001 0.000 0.270 103 G C -0.844 173.502 174.900 -0.923 0.000 1.352 103 G CA -0.827 43.766 45.100 -0.845 0.000 1.060 103 G HN 0.378 nan 8.290 nan 0.000 0.538 104 L N 1.220 121.775 121.223 -1.114 0.000 2.363 104 L HA 0.318 4.658 4.340 0.001 0.000 0.286 104 L C 0.962 177.478 176.870 -0.590 0.000 1.106 104 L CA 0.655 54.644 54.840 -1.420 0.000 0.859 104 L CB 0.342 41.295 42.059 -1.844 0.000 1.223 104 L HN 0.637 nan 8.230 nan 0.000 0.446 105 S N 2.372 117.980 115.700 -0.152 0.000 3.593 105 S HA -0.191 4.279 4.470 0.001 0.000 0.301 105 S C -0.416 174.377 174.600 0.323 0.000 1.209 105 S CA 1.299 59.657 58.200 0.263 0.000 0.878 105 S CB -2.069 61.426 63.200 0.491 0.000 1.000 105 S HN 0.763 nan 8.310 nan 0.000 0.578 106 Y N -2.772 117.635 120.300 0.180 0.000 2.620 106 Y HA 0.754 5.304 4.550 0.001 0.000 0.331 106 Y C -0.900 175.137 175.900 0.229 0.000 1.173 106 Y CA -1.075 57.178 58.100 0.256 0.000 1.076 106 Y CB 0.714 39.339 38.460 0.275 0.000 1.336 106 Y HN -0.016 nan 8.280 nan 0.000 0.459 107 S N 2.019 117.974 115.700 0.424 0.000 2.571 107 S HA 0.562 5.033 4.470 0.001 0.000 0.284 107 S C -1.422 173.274 174.600 0.160 0.000 1.128 107 S CA -1.130 57.203 58.200 0.222 0.000 0.970 107 S CB 1.464 64.777 63.200 0.188 0.000 1.039 107 S HN 0.543 nan 8.310 nan 0.000 0.485 108 K N 2.207 122.595 120.400 -0.020 0.000 2.265 108 K HA 0.510 4.831 4.320 0.001 0.000 0.267 108 K C -1.394 175.059 176.600 -0.245 0.000 0.994 108 K CA -0.251 56.034 56.287 -0.003 0.000 0.860 108 K CB 1.061 33.606 32.500 0.075 0.000 1.099 108 K HN 0.410 nan 8.250 nan 0.000 0.448 109 F N 1.687 121.701 119.950 0.106 0.000 2.443 109 F HA 0.342 4.870 4.527 0.001 0.000 0.335 109 F C 0.321 176.183 175.800 0.104 0.000 1.104 109 F CA -0.591 57.477 58.000 0.115 0.000 1.013 109 F CB 1.878 40.950 39.000 0.121 0.000 1.136 109 F HN 0.367 nan 8.300 nan 0.000 0.470 110 Q N 2.532 122.499 119.800 0.278 0.000 2.359 110 Q HA 0.634 4.974 4.340 0.001 0.000 0.274 110 Q C -1.894 174.202 176.000 0.160 0.000 1.074 110 Q CA -0.666 55.230 55.803 0.155 0.000 0.810 110 Q CB 2.639 31.440 28.738 0.104 0.000 1.342 110 Q HN 0.880 nan 8.270 nan 0.000 0.427 111 C N 3.359 122.682 119.300 0.038 0.000 2.551 111 C HA 0.561 5.022 4.460 0.001 0.000 0.332 111 C C -1.685 173.267 174.990 -0.064 0.000 1.139 111 C CA -0.377 58.560 59.018 -0.134 0.000 1.328 111 C CB 1.145 28.883 27.740 -0.004 0.000 1.903 111 C HN 0.860 nan 8.230 nan 0.000 0.459 112 D N 4.199 124.535 120.400 -0.106 0.000 2.425 112 D HA 0.391 5.032 4.640 0.001 0.000 0.240 112 D C -1.496 174.786 176.300 -0.030 0.000 1.080 112 D CA 0.163 54.174 54.000 0.018 0.000 0.836 112 D CB 1.704 42.544 40.800 0.067 0.000 1.125 112 D HN 0.676 nan 8.370 nan 0.000 0.525 113 Y N 2.556 122.720 120.300 -0.228 0.000 2.358 113 Y HA 0.165 4.715 4.550 0.001 0.000 0.324 113 Y C -0.037 175.634 175.900 -0.381 0.000 1.123 113 Y CA -1.058 56.816 58.100 -0.377 0.000 1.067 113 Y CB 0.887 38.947 38.460 -0.666 0.000 1.230 113 Y HN 0.329 nan 8.280 nan 0.000 0.429 114 N N 4.218 122.450 118.700 -0.780 0.000 2.699 114 N HA -0.178 4.563 4.740 0.001 0.000 0.256 114 N C 0.817 176.078 175.510 -0.414 0.000 0.993 114 N CA 2.438 55.057 53.050 -0.719 0.000 0.759 114 N CB -1.052 36.726 38.487 -1.182 0.000 0.906 114 N HN 1.766 nan 8.380 nan 0.000 0.541 115 G N -1.645 107.021 108.800 -0.224 0.000 2.176 115 G HA2 -0.237 3.724 3.960 0.001 0.000 0.253 115 G HA3 -0.237 3.724 3.960 0.001 0.000 0.253 115 G C -0.099 174.793 174.900 -0.012 0.000 0.979 115 G CA 0.330 45.372 45.100 -0.097 0.000 0.641 115 G HN 0.447 nan 8.290 nan 0.000 0.530 116 I N 0.959 121.526 120.570 -0.005 0.000 2.436 116 I HA 0.415 4.585 4.170 0.001 0.000 0.289 116 I C -0.122 176.123 176.117 0.214 0.000 1.010 116 I CA -1.290 60.109 61.300 0.166 0.000 1.098 116 I CB 1.398 39.613 38.000 0.357 0.000 1.266 116 I HN 0.258 nan 8.210 nan 0.000 0.434 117 H N 5.641 124.790 119.070 0.132 0.000 2.488 117 H HA 0.778 5.334 4.556 0.001 0.000 0.322 117 H C -0.988 174.437 175.328 0.162 0.000 1.078 117 H CA -0.395 55.723 56.048 0.116 0.000 1.260 117 H CB 1.376 31.177 29.762 0.066 0.000 1.425 117 H HN 0.740 nan 8.280 nan 0.000 0.471 118 A N 5.763 128.406 122.820 -0.296 0.000 2.393 118 A HA 0.716 5.036 4.320 0.001 0.000 0.306 118 A C -0.856 176.589 177.584 -0.233 0.000 1.050 118 A CA -0.945 51.004 52.037 -0.146 0.000 0.724 118 A CB 1.330 20.420 19.000 0.150 0.000 1.248 118 A HN 0.808 nan 8.150 nan 0.000 0.424 119 R N 1.044 121.463 120.500 -0.135 0.000 2.686 119 R HA 0.628 4.969 4.340 0.001 0.000 0.283 119 R C -1.109 175.216 176.300 0.043 0.000 0.978 119 R CA -0.780 55.300 56.100 -0.034 0.000 0.897 119 R CB 2.732 33.011 30.300 -0.036 0.000 1.192 119 R HN 0.693 nan 8.270 nan 0.000 0.457 120 K N 1.810 122.297 120.400 0.145 0.000 2.601 120 K HA 0.286 4.606 4.320 0.001 0.000 0.249 120 K C -1.458 175.310 176.600 0.281 0.000 0.966 120 K CA -0.312 56.087 56.287 0.187 0.000 0.827 120 K CB 2.068 34.686 32.500 0.196 0.000 1.178 120 K HN 0.505 nan 8.250 nan 0.000 0.437 121 T N 5.069 119.757 114.554 0.223 0.000 2.758 121 T HA 0.392 4.743 4.350 0.001 0.000 0.285 121 T C -0.327 174.613 174.700 0.399 0.000 0.981 121 T CA -0.544 61.728 62.100 0.285 0.000 0.965 121 T CB 0.485 69.424 68.868 0.119 0.000 0.927 121 T HN 0.389 nan 8.240 nan 0.000 0.448 122 L N 5.588 127.076 121.223 0.441 0.000 2.296 122 L HA 0.772 5.113 4.340 0.001 0.000 0.286 122 L C -0.621 176.566 176.870 0.529 0.000 1.023 122 L CA -0.957 54.093 54.840 0.350 0.000 0.812 122 L CB 0.673 42.843 42.059 0.186 0.000 1.223 122 L HN 0.734 nan 8.230 nan 0.000 0.421 123 F N 1.345 121.440 119.950 0.242 0.000 2.703 123 F HA 0.616 5.144 4.527 0.001 0.000 0.308 123 F C -1.526 174.389 175.800 0.191 0.000 1.126 123 F CA -1.139 57.014 58.000 0.255 0.000 0.959 123 F CB 1.229 40.438 39.000 0.349 0.000 1.297 123 F HN -0.056 nan 8.300 nan 0.000 0.441 124 V N 4.221 124.274 119.914 0.231 0.000 2.318 124 V HA 0.404 4.525 4.120 0.001 0.000 0.271 124 V C -1.978 174.223 176.094 0.178 0.000 1.030 124 V CA -1.677 60.677 62.300 0.089 0.000 0.844 124 V CB 1.022 32.965 31.823 0.200 0.000 1.015 124 V HN 0.631 nan 8.190 nan 0.000 0.460 125 P HA 0.184 nan 4.420 nan 0.000 0.271 125 P C -0.480 176.926 177.300 0.177 0.000 1.216 125 P CA -0.441 62.788 63.100 0.216 0.000 0.776 125 P CB 0.943 32.745 31.700 0.171 0.000 0.881 126 K N 1.167 121.671 120.400 0.173 0.000 2.382 126 K HA 0.317 4.638 4.320 0.001 0.000 0.275 126 K C 1.301 177.976 176.600 0.124 0.000 1.009 126 K CA 0.685 57.045 56.287 0.123 0.000 0.970 126 K CB -0.237 32.318 32.500 0.091 0.000 0.934 126 K HN 0.829 nan 8.250 nan 0.000 0.479 127 G N 1.297 110.162 108.800 0.109 0.000 2.195 127 G HA2 -0.193 3.767 3.960 0.001 0.000 0.246 127 G HA3 -0.193 3.767 3.960 0.001 0.000 0.246 127 G C -0.210 174.747 174.900 0.095 0.000 0.984 127 G CA -0.123 45.031 45.100 0.091 0.000 0.633 127 G HN 0.542 nan 8.290 nan 0.000 0.525 128 E N 0.320 120.591 120.200 0.118 0.000 2.343 128 E HA 0.441 4.792 4.350 0.001 0.000 0.270 128 E C -1.384 175.292 176.600 0.128 0.000 0.895 128 E CA -0.754 55.715 56.400 0.114 0.000 0.767 128 E CB 1.356 31.120 29.700 0.106 0.000 1.248 128 E HN 0.175 nan 8.360 nan 0.000 0.440 129 D N 1.186 121.678 120.400 0.154 0.000 2.772 129 D HA 0.492 5.133 4.640 0.001 0.000 0.273 129 D C -0.530 175.582 176.300 -0.313 0.000 1.233 129 D CA -0.005 54.108 54.000 0.189 0.000 0.984 129 D CB 0.660 41.768 40.800 0.513 0.000 1.000 129 D HN 0.408 nan 8.370 nan 0.000 0.514 130 A N 0.832 123.260 122.820 -0.653 0.000 2.599 130 A HA 0.536 4.857 4.320 0.001 0.000 0.290 130 A C -1.245 175.876 177.584 -0.773 0.000 1.101 130 A CA -0.799 50.693 52.037 -0.909 0.000 0.674 130 A CB 2.161 21.001 19.000 -0.267 0.000 1.277 130 A HN 0.141 nan 8.150 nan 0.000 0.419 131 E N 0.886 120.767 120.200 -0.531 0.000 2.176 131 E HA 0.602 4.952 4.350 0.001 0.000 0.267 131 E C -1.364 175.225 176.600 -0.018 0.000 0.893 131 E CA -0.479 55.831 56.400 -0.151 0.000 0.761 131 E CB 0.983 30.777 29.700 0.158 0.000 1.133 131 E HN 0.535 nan 8.360 nan 0.000 0.409 132 I N 4.015 124.466 120.570 -0.199 0.000 2.396 132 I HA 0.198 4.368 4.170 0.001 0.000 0.292 132 I C -0.732 175.507 176.117 0.203 0.000 0.999 132 I CA -0.632 60.542 61.300 -0.210 0.000 1.310 132 I CB 0.677 38.204 38.000 -0.790 0.000 1.404 132 I HN 0.496 nan 8.210 nan 0.000 0.496 133 W N 4.896 126.159 121.300 -0.061 0.000 2.347 133 W HA 0.263 4.924 4.660 0.001 0.000 0.321 133 W C -0.231 176.301 176.519 0.023 0.000 0.971 133 W CA -1.273 56.115 57.345 0.073 0.000 1.508 133 W CB 0.083 29.663 29.460 0.200 0.000 1.299 133 W HN 0.298 nan 8.180 nan 0.000 0.399 134 D N 2.495 123.025 120.400 0.216 0.000 2.352 134 D HA 0.297 4.938 4.640 0.001 0.000 0.245 134 D C -0.637 175.651 176.300 -0.021 0.000 1.224 134 D CA 0.138 54.177 54.000 0.064 0.000 0.879 134 D CB 0.923 41.786 40.800 0.106 0.000 1.057 134 D HN -0.002 nan 8.370 nan 0.000 0.491 135 V N 4.173 123.947 119.914 -0.234 0.000 2.435 135 V HA 0.469 4.589 4.120 0.001 0.000 0.290 135 V C 0.110 175.927 176.094 -0.461 0.000 1.030 135 V CA -0.856 61.214 62.300 -0.383 0.000 0.881 135 V CB 1.900 33.303 31.823 -0.700 0.000 0.983 135 V HN 0.309 nan 8.190 nan 0.000 0.445 136 V N 6.109 125.880 119.914 -0.238 0.000 2.531 136 V HA 0.550 4.670 4.120 0.001 0.000 0.301 136 V C -0.455 175.597 176.094 -0.071 0.000 1.034 136 V CA -0.363 61.849 62.300 -0.148 0.000 0.865 136 V CB 1.922 33.712 31.823 -0.055 0.000 0.995 136 V HN 0.703 nan 8.190 nan 0.000 0.424 137 I N 4.676 125.228 120.570 -0.031 0.000 2.436 137 I HA 0.553 4.723 4.170 0.001 0.000 0.289 137 I C -0.376 175.796 176.117 0.091 0.000 1.010 137 I CA -0.571 60.765 61.300 0.060 0.000 1.098 137 I CB 1.899 39.955 38.000 0.095 0.000 1.266 137 I HN 0.511 nan 8.210 nan 0.000 0.434 138 K N 4.798 125.296 120.400 0.162 0.000 2.397 138 K HA 0.348 4.669 4.320 0.001 0.000 0.253 138 K C -0.859 175.838 176.600 0.162 0.000 0.932 138 K CA -0.729 55.653 56.287 0.159 0.000 0.795 138 K CB 1.578 34.195 32.500 0.196 0.000 1.159 138 K HN 0.477 nan 8.250 nan 0.000 0.424 139 N N 2.475 121.245 118.700 0.117 0.000 2.415 139 N HA 0.023 4.764 4.740 0.001 0.000 0.246 139 N C 0.084 175.637 175.510 0.071 0.000 1.078 139 N CA -0.080 53.032 53.050 0.103 0.000 0.942 139 N CB 1.101 39.642 38.487 0.090 0.000 1.140 139 N HN 0.664 nan 8.380 nan 0.000 0.501 140 T N -0.659 113.933 114.554 0.064 0.000 3.086 140 T HA 0.109 4.459 4.350 0.001 0.000 0.250 140 T C 0.880 175.586 174.700 0.010 0.000 1.074 140 T CA -0.309 61.809 62.100 0.029 0.000 0.988 140 T CB -0.377 68.504 68.868 0.021 0.000 0.988 140 T HN 0.383 nan 8.240 nan 0.000 0.530 141 S N 1.983 117.691 115.700 0.014 0.000 2.681 141 S HA 0.296 4.766 4.470 0.001 0.000 0.270 141 S C 0.523 175.126 174.600 0.005 0.000 1.209 141 S CA -0.192 58.007 58.200 -0.001 0.000 0.988 141 S CB 0.913 64.109 63.200 -0.006 0.000 1.006 141 S HN 0.370 nan 8.310 nan 0.000 0.558 142 D N -1.086 119.313 120.400 -0.000 0.000 2.325 142 D HA 0.111 4.751 4.640 0.001 0.000 0.225 142 D C 0.502 176.807 176.300 0.009 0.000 1.096 142 D CA -0.147 53.855 54.000 0.003 0.000 0.844 142 D CB -0.341 40.458 40.800 -0.002 0.000 0.925 142 D HN 0.749 nan 8.370 nan 0.000 0.513 143 Q N -1.056 118.753 119.800 0.014 0.000 2.484 143 Q HA 0.527 4.868 4.340 0.001 0.000 0.285 143 Q C -0.981 175.038 176.000 0.032 0.000 1.097 143 Q CA -1.280 54.535 55.803 0.020 0.000 0.802 143 Q CB 1.628 30.376 28.738 0.016 0.000 1.444 143 Q HN -0.132 nan 8.270 nan 0.000 0.429 144 V N 2.113 122.049 119.914 0.036 0.000 2.655 144 V HA 0.207 4.327 4.120 0.001 0.000 0.300 144 V C 0.042 176.172 176.094 0.060 0.000 1.044 144 V CA 0.054 62.383 62.300 0.048 0.000 1.095 144 V CB 0.277 32.126 31.823 0.043 0.000 0.952 144 V HN 0.619 nan 8.190 nan 0.000 0.485 145 R N 2.615 123.162 120.500 0.080 0.000 2.740 145 R HA 0.590 4.931 4.340 0.001 0.000 0.282 145 R C -0.684 175.690 176.300 0.123 0.000 0.969 145 R CA -0.611 55.552 56.100 0.104 0.000 0.918 145 R CB 2.050 32.425 30.300 0.124 0.000 1.175 145 R HN 0.649 nan 8.270 nan 0.000 0.464 146 T N 3.359 117.993 114.554 0.134 0.000 2.809 146 T HA 0.495 4.846 4.350 0.001 0.000 0.296 146 T C -0.041 174.766 174.700 0.178 0.000 1.015 146 T CA -0.503 61.678 62.100 0.135 0.000 0.954 146 T CB 0.592 69.518 68.868 0.097 0.000 0.950 146 T HN 0.196 nan 8.240 nan 0.000 0.450 147 I N 2.520 123.218 120.570 0.213 0.000 2.433 147 I HA 0.454 4.624 4.170 0.001 0.000 0.292 147 I C 0.382 176.635 176.117 0.227 0.000 1.001 147 I CA -0.687 60.765 61.300 0.253 0.000 1.119 147 I CB 1.803 39.986 38.000 0.305 0.000 1.289 147 I HN 0.461 nan 8.210 nan 0.000 0.438 148 S N 3.955 119.773 115.700 0.197 0.000 2.509 148 S HA 0.824 5.294 4.470 0.001 0.000 0.297 148 S C -0.076 174.633 174.600 0.181 0.000 1.118 148 S CA -0.547 57.717 58.200 0.107 0.000 1.074 148 S CB 1.937 65.255 63.200 0.198 0.000 1.038 148 S HN 0.739 nan 8.310 nan 0.000 0.498 149 A N 2.601 125.465 122.820 0.073 0.000 2.342 149 A HA 0.866 5.187 4.320 0.001 0.000 0.323 149 A C -1.263 176.455 177.584 0.223 0.000 1.125 149 A CA -0.550 51.684 52.037 0.329 0.000 0.785 149 A CB 0.444 19.782 19.000 0.563 0.000 1.221 149 A HN 0.693 nan 8.150 nan 0.000 0.463 150 F N 1.243 121.507 119.950 0.522 0.000 2.556 150 F HA 0.542 5.069 4.527 0.001 0.000 0.314 150 F C 0.805 176.882 175.800 0.462 0.000 1.106 150 F CA -0.401 57.903 58.000 0.506 0.000 0.911 150 F CB 2.604 41.868 39.000 0.440 0.000 1.190 150 F HN 0.646 nan 8.300 nan 0.000 0.448 151 S N 2.121 118.004 115.700 0.305 0.000 2.690 151 S HA 0.831 5.302 4.470 0.001 0.000 0.291 151 S C -1.239 173.426 174.600 0.108 0.000 1.138 151 S CA -0.560 57.593 58.200 -0.077 0.000 1.013 151 S CB 2.216 64.729 63.200 -1.145 0.000 1.053 151 S HN 0.576 nan 8.310 nan 0.000 0.539 152 F N 0.711 120.672 119.950 0.017 0.000 2.622 152 F HA 0.561 5.089 4.527 0.001 0.000 0.318 152 F C -1.501 174.254 175.800 -0.074 0.000 1.135 152 F CA -0.531 57.403 58.000 -0.111 0.000 1.015 152 F CB 1.584 40.681 39.000 0.161 0.000 1.275 152 F HN 0.822 nan 8.300 nan 0.000 0.457 153 V N 2.035 121.219 119.914 -1.216 0.000 3.048 153 V HA 0.620 4.741 4.120 0.001 0.000 0.303 153 V C -1.468 173.734 176.094 -1.487 0.000 1.214 153 V CA -0.849 60.804 62.300 -1.077 0.000 0.984 153 V CB 1.716 33.036 31.823 -0.839 0.000 1.054 153 V HN 0.900 nan 8.190 nan 0.000 0.430 154 E N 2.631 122.235 120.200 -0.993 0.000 2.113 154 E HA 0.535 4.886 4.350 0.001 0.000 0.273 154 E C -1.350 174.916 176.600 -0.558 0.000 0.924 154 E CA -0.746 55.243 56.400 -0.684 0.000 0.764 154 E CB 1.002 30.539 29.700 -0.272 0.000 1.104 154 E HN 0.613 nan 8.360 nan 0.000 0.406 155 F N 2.402 122.075 119.950 -0.462 0.000 2.529 155 F HA 0.062 4.590 4.527 0.001 0.000 0.365 155 F C 1.185 176.681 175.800 -0.507 0.000 1.102 155 F CA 0.120 57.762 58.000 -0.596 0.000 1.271 155 F CB 1.182 39.425 39.000 -1.261 0.000 1.120 155 F HN 0.280 nan 8.300 nan 0.000 0.579 156 S N 2.203 117.860 115.700 -0.072 0.000 2.617 156 S HA 0.306 4.776 4.470 0.001 0.000 0.269 156 S C 0.611 175.265 174.600 0.090 0.000 1.292 156 S CA -0.611 57.559 58.200 -0.050 0.000 1.010 156 S CB 0.320 63.578 63.200 0.097 0.000 0.944 156 S HN 0.394 nan 8.310 nan 0.000 0.536 157 F N 2.574 122.683 119.950 0.265 0.000 2.804 157 F HA 0.142 4.670 4.527 0.001 0.000 0.303 157 F C 2.085 178.005 175.800 0.199 0.000 1.154 157 F CA 0.590 58.728 58.000 0.231 0.000 1.401 157 F CB -1.168 37.924 39.000 0.153 0.000 1.106 157 F HN 0.896 nan 8.300 nan 0.000 0.568 158 S N -1.696 114.250 115.700 0.410 0.000 1.537 158 S HA -0.304 4.166 4.470 0.001 0.000 0.241 158 S C 0.253 175.137 174.600 0.473 0.000 0.763 158 S CA 0.826 59.288 58.200 0.437 0.000 1.304 158 S CB -2.073 61.368 63.200 0.401 0.000 1.584 158 S HN 0.527 nan 8.310 nan 0.000 0.514 159 H N 1.750 120.966 119.070 0.243 0.000 2.604 159 H HA 0.513 5.069 4.556 0.001 0.000 0.306 159 H C 1.556 176.943 175.328 0.098 0.000 1.075 159 H CA -0.054 56.102 56.048 0.180 0.000 1.357 159 H CB 0.688 30.591 29.762 0.235 0.000 1.426 159 H HN 0.272 nan 8.280 nan 0.000 0.470 160 I N 1.663 122.280 120.570 0.078 0.000 2.194 160 I HA -0.350 3.821 4.170 0.001 0.000 0.246 160 I C 2.017 178.161 176.117 0.045 0.000 1.093 160 I CA 1.128 62.434 61.300 0.009 0.000 1.355 160 I CB -0.152 37.781 38.000 -0.113 0.000 1.046 160 I HN 0.670 nan 8.210 nan 0.000 0.413 161 Q N 0.207 120.036 119.800 0.048 0.000 2.170 161 Q HA -0.143 4.198 4.340 0.001 0.000 0.203 161 Q C 2.354 178.384 176.000 0.049 0.000 0.976 161 Q CA 1.499 57.328 55.803 0.043 0.000 0.858 161 Q CB -0.588 28.182 28.738 0.052 0.000 0.907 161 Q HN 0.445 nan 8.270 nan 0.000 0.433 162 S N 1.179 116.954 115.700 0.125 0.000 2.453 162 S HA -0.078 4.392 4.470 0.001 0.000 0.231 162 S C 1.108 175.833 174.600 0.208 0.000 1.005 162 S CA 0.804 59.063 58.200 0.099 0.000 0.949 162 S CB 0.035 63.327 63.200 0.153 0.000 0.774 162 S HN 0.304 nan 8.310 nan 0.000 0.510 163 D N 1.469 122.029 120.400 0.267 0.000 2.213 163 D HA 0.076 4.717 4.640 0.001 0.000 0.205 163 D C 1.484 177.973 176.300 0.315 0.000 0.961 163 D CA 0.757 54.969 54.000 0.353 0.000 0.853 163 D CB -0.318 40.589 40.800 0.179 0.000 0.967 163 D HN 0.421 nan 8.370 nan 0.000 0.496 164 N N -0.358 118.423 118.700 0.134 0.000 2.395 164 N HA -0.005 4.736 4.740 0.001 0.000 0.175 164 N C 0.703 176.240 175.510 0.045 0.000 1.029 164 N CA 0.296 53.411 53.050 0.108 0.000 0.897 164 N CB 0.488 38.998 38.487 0.039 0.000 0.991 164 N HN 0.286 nan 8.380 nan 0.000 0.441 165 Q N -1.424 118.236 119.800 -0.235 0.000 2.814 165 Q HA 0.238 4.579 4.340 0.001 0.000 0.322 165 Q C -1.155 174.510 176.000 -0.558 0.000 0.861 165 Q CA -0.842 54.737 55.803 -0.374 0.000 0.773 165 Q CB 0.647 29.321 28.738 -0.107 0.000 1.423 165 Q HN -0.096 nan 8.270 nan 0.000 0.495 166 N N -0.406 118.110 118.700 -0.307 0.000 2.735 166 N HA -0.198 4.542 4.740 0.001 0.000 0.248 166 N C -0.030 175.349 175.510 -0.218 0.000 1.083 166 N CA 1.180 54.120 53.050 -0.183 0.000 0.703 166 N CB -1.151 37.272 38.487 -0.107 0.000 1.005 166 N HN 0.723 nan 8.380 nan 0.000 0.550 167 H N -0.476 118.590 119.070 -0.006 0.000 2.521 167 H HA -0.096 4.461 4.556 0.001 0.000 0.286 167 H C 1.816 177.116 175.328 -0.047 0.000 1.034 167 H CA 1.570 57.577 56.048 -0.068 0.000 1.278 167 H CB 0.158 29.909 29.762 -0.019 0.000 1.386 167 H HN 0.754 nan 8.280 nan 0.000 0.567 168 Q N -0.150 119.724 119.800 0.125 0.000 2.291 168 Q HA -0.114 4.226 4.340 0.001 0.000 0.206 168 Q C 2.100 178.237 176.000 0.228 0.000 0.976 168 Q CA 1.366 57.286 55.803 0.195 0.000 0.875 168 Q CB -0.063 28.746 28.738 0.119 0.000 0.927 168 Q HN 0.281 nan 8.270 nan 0.000 0.450 169 M N 0.394 120.050 119.600 0.093 0.000 2.906 169 M HA 0.104 4.585 4.480 0.001 0.000 0.252 169 M C 1.827 178.109 176.300 -0.030 0.000 1.359 169 M CA 1.735 57.093 55.300 0.096 0.000 1.239 169 M CB -0.405 32.216 32.600 0.035 0.000 1.229 169 M HN 0.363 nan 8.290 nan 0.000 0.547 170 S N 1.052 116.612 115.700 -0.232 0.000 2.399 170 S HA -0.097 4.373 4.470 0.001 0.000 0.231 170 S C 1.929 175.898 174.600 -1.052 0.000 1.022 170 S CA 1.048 58.872 58.200 -0.627 0.000 0.983 170 S CB -1.192 61.588 63.200 -0.699 0.000 0.803 170 S HN 0.606 nan 8.310 nan 0.000 0.480 171 L N -0.555 120.171 121.223 -0.828 0.000 2.450 171 L HA -0.006 4.335 4.340 0.001 0.000 0.224 171 L C 0.924 177.054 176.870 -1.233 0.000 1.149 171 L CA 0.946 55.190 54.840 -0.994 0.000 0.816 171 L CB -0.364 41.063 42.059 -1.053 0.000 0.932 171 L HN 0.417 nan 8.230 nan 0.000 0.449 172 Y N -2.899 117.237 120.300 -0.273 0.000 2.706 172 Y HA 0.126 4.676 4.550 0.001 0.000 0.255 172 Y C 1.872 177.613 175.900 -0.265 0.000 1.163 172 Y CA -0.198 57.760 58.100 -0.237 0.000 1.174 172 Y CB -0.137 38.227 38.460 -0.161 0.000 1.200 172 Y HN 0.059 nan 8.280 nan 0.000 0.544 173 S N -0.914 114.594 115.700 -0.320 0.000 2.556 173 S HA 0.707 5.178 4.470 0.001 0.000 0.216 173 S C 0.614 174.936 174.600 -0.463 0.000 0.970 173 S CA 0.210 58.092 58.200 -0.530 0.000 0.912 173 S CB 0.201 63.192 63.200 -0.348 0.000 0.790 173 S HN 0.196 nan 8.310 nan 0.000 0.504 174 A N -0.361 122.294 122.820 -0.275 0.000 2.583 174 A HA 0.912 5.233 4.320 0.001 0.000 0.289 174 A C -0.239 177.081 177.584 -0.440 0.000 1.151 174 A CA -0.454 51.333 52.037 -0.418 0.000 0.695 174 A CB 1.039 19.806 19.000 -0.388 0.000 1.290 174 A HN 0.937 nan 8.150 nan 0.000 0.419 175 G N -0.905 107.425 108.800 -0.784 0.000 2.677 175 G HA2 0.720 4.680 3.960 0.001 0.000 0.291 175 G HA3 0.720 4.680 3.960 0.001 0.000 0.291 175 G C -0.819 173.747 174.900 -0.557 0.000 1.435 175 G CA 0.269 45.016 45.100 -0.588 0.000 0.826 175 G HN 1.497 nan 8.290 nan 0.000 0.491 176 T N -2.099 112.352 114.554 -0.172 0.000 2.908 176 T HA 0.886 5.237 4.350 0.001 0.000 0.290 176 T C -0.196 174.546 174.700 0.071 0.000 1.034 176 T CA -0.272 61.834 62.100 0.009 0.000 1.010 176 T CB 2.061 71.075 68.868 0.243 0.000 1.068 176 T HN 1.887 nan 8.240 nan 0.000 0.481 177 A N 1.336 124.201 122.820 0.075 0.000 2.539 177 A HA 0.753 5.074 4.320 0.001 0.000 0.296 177 A C -1.967 175.662 177.584 0.076 0.000 1.073 177 A CA -0.955 51.130 52.037 0.080 0.000 0.700 177 A CB 1.559 20.582 19.000 0.039 0.000 1.296 177 A HN 0.955 nan 8.150 nan 0.000 0.405 178 Y N 1.036 121.268 120.300 -0.114 0.000 2.409 178 Y HA 0.758 5.309 4.550 0.001 0.000 0.343 178 Y C -0.001 175.778 175.900 -0.202 0.000 0.973 178 Y CA -0.559 57.368 58.100 -0.287 0.000 1.064 178 Y CB 1.495 39.474 38.460 -0.801 0.000 1.207 178 Y HN 0.775 nan 8.280 nan 0.000 0.452 179 R N 4.816 124.675 120.500 -1.069 0.000 2.808 179 R HA 0.384 4.724 4.340 0.001 0.000 0.272 179 R C -2.917 172.677 176.300 -1.178 0.000 0.995 179 R CA -2.402 53.229 56.100 -0.781 0.000 0.917 179 R CB 1.870 31.927 30.300 -0.404 0.000 1.217 179 R HN 0.478 nan 8.270 nan 0.000 0.471 180 P HA -0.122 nan 4.420 nan 0.000 0.252 180 P C 0.414 177.543 177.300 -0.284 0.000 1.147 180 P CA 1.523 64.428 63.100 -0.326 0.000 0.779 180 P CB 0.067 31.688 31.700 -0.131 0.000 0.733 181 G N 2.178 110.916 108.800 -0.102 0.000 2.225 181 G HA2 -0.224 3.736 3.960 0.001 0.000 0.267 181 G HA3 -0.224 3.736 3.960 0.001 0.000 0.267 181 G C -0.336 174.497 174.900 -0.111 0.000 1.024 181 G CA 0.120 45.202 45.100 -0.031 0.000 0.784 181 G HN 0.608 nan 8.290 nan 0.000 0.507 182 L N -0.143 120.928 121.223 -0.253 0.000 2.580 182 L HA 0.684 5.025 4.340 0.001 0.000 0.266 182 L C -0.505 176.288 176.870 -0.129 0.000 0.955 182 L CA -0.855 53.877 54.840 -0.179 0.000 0.886 182 L CB 1.369 43.276 42.059 -0.254 0.000 1.263 182 L HN 0.102 nan 8.230 nan 0.000 0.406 183 I N 3.951 124.586 120.570 0.108 0.000 2.304 183 I HA 0.337 4.508 4.170 0.001 0.000 0.291 183 I C -0.043 176.170 176.117 0.160 0.000 1.018 183 I CA -0.300 61.112 61.300 0.186 0.000 1.260 183 I CB 1.486 39.664 38.000 0.296 0.000 1.390 183 I HN 0.658 nan 8.210 nan 0.000 0.475 184 E N 6.731 126.984 120.200 0.088 0.000 2.134 184 E HA 0.180 4.530 4.350 0.001 0.000 0.278 184 E C -1.570 175.042 176.600 0.021 0.000 0.959 184 E CA -0.625 55.831 56.400 0.094 0.000 0.783 184 E CB 1.067 30.813 29.700 0.077 0.000 1.095 184 E HN 0.454 nan 8.360 nan 0.000 0.399 185 Y N 4.270 124.401 120.300 -0.282 0.000 2.331 185 Y HA 0.290 4.840 4.550 0.001 0.000 0.338 185 Y C -1.071 174.494 175.900 -0.560 0.000 0.976 185 Y CA -1.021 56.731 58.100 -0.579 0.000 1.137 185 Y CB 1.138 38.861 38.460 -1.229 0.000 1.172 185 Y HN 0.473 nan 8.280 nan 0.000 0.478 186 D N 6.318 126.085 120.400 -1.055 0.000 2.349 186 D HA 0.226 4.866 4.640 0.001 0.000 0.232 186 D C -1.089 174.464 176.300 -1.245 0.000 1.071 186 D CA -0.256 52.980 54.000 -1.274 0.000 0.832 186 D CB 0.818 41.141 40.800 -0.795 0.000 1.086 186 D HN 0.693 nan 8.370 nan 0.000 0.504 187 L N 5.552 126.080 121.223 -1.157 0.000 2.401 187 L HA 0.105 4.445 4.340 0.001 0.000 0.283 187 L C 0.941 177.483 176.870 -0.547 0.000 1.151 187 L CA -0.590 53.799 54.840 -0.752 0.000 0.942 187 L CB 0.208 41.928 42.059 -0.564 0.000 1.283 187 L HN 0.539 nan 8.230 nan 0.000 0.442 188 Y N 2.861 122.758 120.300 -0.671 0.000 2.241 188 Y HA -0.300 4.250 4.550 0.001 0.000 0.286 188 Y C 1.509 177.220 175.900 -0.315 0.000 1.166 188 Y CA 1.781 59.559 58.100 -0.538 0.000 1.203 188 Y CB -0.070 38.025 38.460 -0.608 0.000 0.977 188 Y HN 0.492 nan 8.280 nan 0.000 0.529 189 Y N -1.515 118.687 120.300 -0.165 0.000 2.490 189 Y HA 0.119 4.670 4.550 0.001 0.000 0.281 189 Y C 0.784 176.583 175.900 -0.168 0.000 1.174 189 Y CA -0.346 57.644 58.100 -0.182 0.000 1.295 189 Y CB -0.523 37.865 38.460 -0.120 0.000 1.062 189 Y HN -0.009 nan 8.280 nan 0.000 0.522 190 N N 0.838 119.498 118.700 -0.067 0.000 2.485 190 N HA 0.012 4.752 4.740 0.001 0.000 0.243 190 N C 0.961 176.442 175.510 -0.050 0.000 0.987 190 N CA 0.333 53.352 53.050 -0.052 0.000 0.940 190 N CB 1.117 39.551 38.487 -0.088 0.000 1.122 190 N HN 0.263 nan 8.380 nan 0.000 0.509 191 T N -0.472 114.078 114.554 -0.007 0.000 3.072 191 T HA -0.082 4.269 4.350 0.001 0.000 0.266 191 T C 0.543 175.289 174.700 0.075 0.000 1.127 191 T CA 0.170 62.280 62.100 0.016 0.000 1.107 191 T CB -0.087 68.783 68.868 0.003 0.000 0.910 191 T HN 0.356 nan 8.240 nan 0.000 0.513 192 D N 1.682 122.139 120.400 0.094 0.000 2.371 192 D HA 0.113 4.753 4.640 0.001 0.000 0.256 192 D C 0.479 176.901 176.300 0.204 0.000 1.193 192 D CA -0.406 53.678 54.000 0.140 0.000 0.881 192 D CB 0.711 41.607 40.800 0.159 0.000 1.143 192 D HN -0.038 nan 8.370 nan 0.000 0.473 193 D N 2.873 123.376 120.400 0.173 0.000 2.310 193 D HA -0.108 4.533 4.640 0.001 0.000 0.212 193 D C 1.116 177.523 176.300 0.178 0.000 0.965 193 D CA 0.486 54.556 54.000 0.118 0.000 0.879 193 D CB 0.001 40.782 40.800 -0.033 0.000 0.921 193 D HN 0.467 nan 8.370 nan 0.000 0.510 194 F N 1.273 121.273 119.950 0.083 0.000 2.202 194 F HA 0.120 4.647 4.527 0.001 0.000 0.279 194 F C 2.025 177.891 175.800 0.110 0.000 1.077 194 F CA 0.847 58.890 58.000 0.072 0.000 1.193 194 F CB -0.198 38.821 39.000 0.033 0.000 1.090 194 F HN -0.236 nan 8.300 nan 0.000 0.516 195 E N -0.145 119.976 120.200 -0.132 0.000 2.268 195 E HA -0.061 4.289 4.350 0.001 0.000 0.195 195 E C 1.926 178.464 176.600 -0.102 0.000 0.995 195 E CA 0.755 57.032 56.400 -0.205 0.000 0.836 195 E CB -0.463 29.291 29.700 0.089 0.000 0.763 195 E HN 0.561 nan 8.360 nan 0.000 0.491 196 G N -0.084 108.703 108.800 -0.021 0.000 3.088 196 G HA2 0.069 4.030 3.960 0.001 0.000 0.212 196 G HA3 0.069 4.030 3.960 0.001 0.000 0.212 196 G C -0.144 174.490 174.900 -0.444 0.000 1.173 196 G CA -0.104 44.892 45.100 -0.174 0.000 0.779 196 G HN -0.034 nan 8.290 nan 0.000 0.540 197 F N -0.692 119.068 119.950 -0.316 0.000 2.569 197 F HA 0.614 5.141 4.527 0.001 0.000 0.312 197 F C -0.872 174.878 175.800 -0.083 0.000 1.109 197 F CA -1.344 56.498 58.000 -0.264 0.000 0.919 197 F CB 1.852 40.782 39.000 -0.116 0.000 1.211 197 F HN -0.116 nan 8.300 nan 0.000 0.446 198 Y N 1.551 121.900 120.300 0.082 0.000 2.659 198 Y HA 0.711 5.262 4.550 0.001 0.000 0.333 198 Y C -0.586 175.327 175.900 0.023 0.000 1.064 198 Y CA -2.119 55.977 58.100 -0.008 0.000 1.141 198 Y CB 1.515 39.933 38.460 -0.069 0.000 1.316 198 Y HN 0.539 nan 8.280 nan 0.000 0.509 199 Y N -0.923 119.498 120.300 0.203 0.000 2.677 199 Y HA 0.697 5.248 4.550 0.001 0.000 0.334 199 Y C -2.517 173.515 175.900 0.220 0.000 1.196 199 Y CA -1.609 56.578 58.100 0.144 0.000 1.059 199 Y CB 1.296 39.797 38.460 0.068 0.000 1.315 199 Y HN 0.518 nan 8.280 nan 0.000 0.455 200 L N 2.951 124.415 121.223 0.402 0.000 2.441 200 L HA 0.913 5.253 4.340 0.001 0.000 0.270 200 L C -1.252 175.719 176.870 0.169 0.000 0.973 200 L CA -0.378 54.542 54.840 0.133 0.000 0.842 200 L CB 0.984 43.021 42.059 -0.036 0.000 1.239 200 L HN 1.156 nan 8.230 nan 0.000 0.406 201 A N 3.504 126.411 122.820 0.145 0.000 2.350 201 A HA 0.928 5.248 4.320 0.001 0.000 0.318 201 A C -0.566 176.994 177.584 -0.040 0.000 1.132 201 A CA -0.291 51.774 52.037 0.047 0.000 0.811 201 A CB 1.783 20.792 19.000 0.015 0.000 1.313 201 A HN 0.809 nan 8.150 nan 0.000 0.454 202 S N -1.098 114.492 115.700 -0.183 0.000 2.536 202 S HA 0.507 4.977 4.470 0.001 0.000 0.287 202 S C 0.559 174.896 174.600 -0.438 0.000 1.101 202 S CA 0.195 58.083 58.200 -0.519 0.000 0.950 202 S CB 1.203 63.677 63.200 -1.210 0.000 1.056 202 S HN 1.337 nan 8.310 nan 0.000 0.481 203 T N -0.438 113.904 114.554 -0.355 0.000 2.995 203 T HA 0.113 4.464 4.350 0.001 0.000 0.269 203 T C 0.588 175.253 174.700 -0.057 0.000 1.091 203 T CA 0.306 62.341 62.100 -0.108 0.000 1.128 203 T CB -0.909 67.985 68.868 0.043 0.000 0.891 203 T HN 0.695 nan 8.240 nan 0.000 0.492 204 F N 1.281 121.228 119.950 -0.004 0.000 2.370 204 F HA 0.685 5.213 4.527 0.001 0.000 0.319 204 F C -0.417 175.359 175.800 -0.041 0.000 1.129 204 F CA -2.538 55.442 58.000 -0.035 0.000 1.109 204 F CB 0.159 39.091 39.000 -0.114 0.000 1.262 204 F HN -0.217 nan 8.300 nan 0.000 0.534 205 D N 2.701 123.293 120.400 0.318 0.000 2.347 205 D HA 0.284 4.925 4.640 0.001 0.000 0.235 205 D C -2.414 174.050 176.300 0.273 0.000 1.149 205 D CA -1.211 52.919 54.000 0.217 0.000 0.850 205 D CB 0.938 41.799 40.800 0.102 0.000 1.061 205 D HN 0.276 nan 8.370 nan 0.000 0.487 206 P HA 0.005 nan 4.420 nan 0.000 0.267 206 P C 0.391 177.701 177.300 0.017 0.000 1.201 206 P CA -0.049 63.212 63.100 0.268 0.000 0.775 206 P CB 1.020 32.963 31.700 0.405 0.000 0.854 207 D N -0.830 119.455 120.400 -0.192 0.000 2.338 207 D HA 0.035 4.675 4.640 0.001 0.000 0.208 207 D C 0.567 176.854 176.300 -0.022 0.000 0.997 207 D CA 0.984 54.869 54.000 -0.192 0.000 0.880 207 D CB 0.266 40.808 40.800 -0.430 0.000 0.980 207 D HN 0.464 nan 8.370 nan 0.000 0.509 208 S N -0.856 114.884 115.700 0.066 0.000 2.611 208 S HA 0.591 5.061 4.470 0.001 0.000 0.268 208 S C -1.370 173.327 174.600 0.162 0.000 1.156 208 S CA -1.020 57.233 58.200 0.088 0.000 0.817 208 S CB 1.656 64.940 63.200 0.140 0.000 1.122 208 S HN 0.164 nan 8.310 nan 0.000 0.466 209 Y N -1.081 119.199 120.300 -0.034 0.000 2.670 209 Y HA 0.891 5.442 4.550 0.001 0.000 0.334 209 Y C -1.965 173.954 175.900 0.032 0.000 1.185 209 Y CA -0.930 57.152 58.100 -0.031 0.000 1.053 209 Y CB 1.209 39.477 38.460 -0.320 0.000 1.298 209 Y HN 0.645 nan 8.280 nan 0.000 0.459 210 D N -0.014 120.567 120.400 0.302 0.000 2.970 210 D HA 0.395 5.036 4.640 0.001 0.000 0.230 210 D C -0.111 176.367 176.300 0.295 0.000 1.276 210 D CA -0.219 53.930 54.000 0.249 0.000 0.910 210 D CB 2.153 43.123 40.800 0.284 0.000 1.590 210 D HN 1.000 nan 8.370 nan 0.000 0.551 211 G N 1.265 110.266 108.800 0.335 0.000 2.944 211 G HA2 -0.026 3.934 3.960 0.001 0.000 0.220 211 G HA3 -0.026 3.934 3.960 0.001 0.000 0.220 211 G C 0.402 175.500 174.900 0.329 0.000 1.100 211 G CA 0.026 45.338 45.100 0.353 0.000 0.780 211 G HN 0.183 nan 8.290 nan 0.000 0.539 212 Q N 0.675 120.623 119.800 0.247 0.000 2.340 212 Q HA 0.299 4.640 4.340 0.001 0.000 0.259 212 Q C 0.813 176.914 176.000 0.169 0.000 0.964 212 Q CA -0.495 55.408 55.803 0.167 0.000 0.900 212 Q CB 2.230 31.039 28.738 0.120 0.000 1.228 212 Q HN 0.316 nan 8.270 nan 0.000 0.449 213 R N 2.694 123.282 120.500 0.147 0.000 2.096 213 R HA -0.188 4.153 4.340 0.001 0.000 0.240 213 R C 0.337 176.727 176.300 0.151 0.000 1.139 213 R CA 1.903 58.131 56.100 0.214 0.000 0.952 213 R CB 0.356 30.752 30.300 0.161 0.000 0.854 213 R HN 0.573 nan 8.270 nan 0.000 0.436 214 D N -0.223 120.206 120.400 0.049 0.000 2.218 214 D HA -0.132 4.508 4.640 0.001 0.000 0.204 214 D C 1.931 178.212 176.300 -0.030 0.000 0.976 214 D CA 0.785 54.770 54.000 -0.025 0.000 0.853 214 D CB -0.056 40.693 40.800 -0.085 0.000 0.939 214 D HN 0.168 nan 8.370 nan 0.000 0.481 215 R N -0.284 120.229 120.500 0.021 0.000 2.080 215 R HA 0.021 4.361 4.340 0.001 0.000 0.222 215 R C 2.132 178.436 176.300 0.007 0.000 1.107 215 R CA 0.130 56.231 56.100 0.001 0.000 0.980 215 R CB -0.923 29.393 30.300 0.026 0.000 0.879 215 R HN 0.248 nan 8.270 nan 0.000 0.439 216 F N 1.497 121.419 119.950 -0.046 0.000 2.113 216 F HA -0.083 4.444 4.527 0.001 0.000 0.297 216 F C 2.016 177.694 175.800 -0.204 0.000 1.103 216 F CA 1.370 59.321 58.000 -0.083 0.000 1.248 216 F CB -0.231 38.799 39.000 0.051 0.000 0.999 216 F HN -0.141 nan 8.300 nan 0.000 0.475 217 L N -0.226 120.909 121.223 -0.147 0.000 2.095 217 L HA 0.185 4.526 4.340 0.001 0.000 0.204 217 L C 1.266 177.950 176.870 -0.310 0.000 1.080 217 L CA 0.578 55.221 54.840 -0.329 0.000 0.759 217 L CB -1.327 40.627 42.059 -0.175 0.000 0.914 217 L HN 0.396 nan 8.230 nan 0.000 0.439 218 G N 0.260 108.935 108.800 -0.207 0.000 2.699 218 G HA2 -0.191 3.770 3.960 0.001 0.000 0.686 218 G HA3 -0.191 3.770 3.960 0.001 0.000 0.686 218 G C -1.072 173.727 174.900 -0.168 0.000 1.301 218 G CA -0.734 44.255 45.100 -0.186 0.000 0.816 218 G HN 0.012 nan 8.290 nan 0.000 0.595 219 L N 0.810 121.944 121.223 -0.148 0.000 2.455 219 L HA 0.573 4.914 4.340 0.001 0.000 0.272 219 L C 0.954 177.764 176.870 -0.101 0.000 1.174 219 L CA 0.474 55.196 54.840 -0.197 0.000 0.869 219 L CB -0.480 41.505 42.059 -0.123 0.000 1.130 219 L HN 1.177 nan 8.230 nan 0.000 0.474 220 Y N 2.929 123.183 120.300 -0.078 0.000 3.589 220 Y HA -0.287 4.263 4.550 0.001 0.000 0.218 220 Y C 0.487 176.334 175.900 -0.088 0.000 1.234 220 Y CA 0.873 58.929 58.100 -0.072 0.000 1.576 220 Y CB -1.638 36.786 38.460 -0.060 0.000 1.487 220 Y HN 0.601 nan 8.280 nan 0.000 0.616 221 R N -0.101 120.371 120.500 -0.046 0.000 2.836 221 R HA 0.630 4.971 4.340 0.001 0.000 0.269 221 R C -0.578 175.644 176.300 -0.130 0.000 1.010 221 R CA -0.531 55.513 56.100 -0.094 0.000 0.930 221 R CB 1.942 32.148 30.300 -0.158 0.000 1.218 221 R HN 0.137 nan 8.270 nan 0.000 0.473 222 D N -0.822 119.485 120.400 -0.155 0.000 2.904 222 D HA 0.128 4.768 4.640 0.001 0.000 0.290 222 D C 0.145 176.304 176.300 -0.235 0.000 1.180 222 D CA -0.682 53.218 54.000 -0.167 0.000 1.065 222 D CB 0.012 40.739 40.800 -0.123 0.000 1.386 222 D HN 0.355 nan 8.370 nan 0.000 0.599 223 E N -0.482 119.586 120.200 -0.219 0.000 2.267 223 E HA -0.004 4.346 4.350 0.001 0.000 0.197 223 E C 1.750 178.230 176.600 -0.200 0.000 0.998 223 E CA 1.560 57.827 56.400 -0.221 0.000 0.830 223 E CB -0.416 29.226 29.700 -0.096 0.000 0.751 223 E HN 0.480 nan 8.360 nan 0.000 0.491 224 A N 1.632 124.301 122.820 -0.253 0.000 2.014 224 A HA -0.082 4.238 4.320 0.001 0.000 0.218 224 A C 0.904 178.438 177.584 -0.083 0.000 1.163 224 A CA 1.149 53.053 52.037 -0.221 0.000 0.652 224 A CB -0.111 18.712 19.000 -0.295 0.000 0.808 224 A HN 0.332 nan 8.150 nan 0.000 0.449 225 N N -1.540 117.064 118.700 -0.160 0.000 2.673 225 N HA 0.243 4.983 4.740 0.001 0.000 0.265 225 N C -3.572 171.694 175.510 -0.406 0.000 1.709 225 N CA -1.586 51.372 53.050 -0.153 0.000 0.792 225 N CB -0.241 38.224 38.487 -0.037 0.000 1.286 225 N HN -0.089 nan 8.380 nan 0.000 0.506 226 P HA 0.001 nan 4.420 nan 0.000 0.264 226 P C 1.345 178.118 177.300 -0.877 0.000 1.193 226 P CA -0.492 62.058 63.100 -0.916 0.000 0.763 226 P CB 0.980 31.793 31.700 -1.478 0.000 0.810 227 L N 5.128 125.948 121.223 -0.673 0.000 2.042 227 L HA -0.227 4.114 4.340 0.001 0.000 0.210 227 L C 2.124 178.622 176.870 -0.619 0.000 1.076 227 L CA 2.466 56.996 54.840 -0.517 0.000 0.749 227 L CB -1.461 40.384 42.059 -0.357 0.000 0.893 227 L HN 0.424 nan 8.230 nan 0.000 0.432 228 A N -1.165 121.167 122.820 -0.813 0.000 1.908 228 A HA -0.171 4.149 4.320 0.001 0.000 0.218 228 A C 2.251 179.253 177.584 -0.969 0.000 1.181 228 A CA 2.224 53.816 52.037 -0.741 0.000 0.627 228 A CB -1.145 17.422 19.000 -0.723 0.000 0.818 228 A HN 0.334 nan 8.150 nan 0.000 0.445 229 V N -0.074 118.995 119.914 -1.409 0.000 2.358 229 V HA -0.243 3.877 4.120 0.001 0.000 0.246 229 V C 2.511 177.968 176.094 -1.062 0.000 1.047 229 V CA 2.191 63.521 62.300 -1.617 0.000 1.035 229 V CB -0.745 30.052 31.823 -1.709 0.000 0.658 229 V HN 0.782 nan 8.190 nan 0.000 0.452 230 E N 0.820 120.464 120.200 -0.926 0.000 2.077 230 E HA -0.306 4.045 4.350 0.001 0.000 0.193 230 E C 2.258 178.700 176.600 -0.263 0.000 0.989 230 E CA 1.740 57.847 56.400 -0.489 0.000 0.800 230 E CB -0.090 29.426 29.700 -0.307 0.000 0.746 230 E HN 0.853 nan 8.360 nan 0.000 0.452 231 Q N -1.036 118.586 119.800 -0.297 0.000 2.435 231 Q HA 0.074 4.415 4.340 0.001 0.000 0.207 231 Q C 1.234 177.159 176.000 -0.125 0.000 0.956 231 Q CA 0.799 56.497 55.803 -0.174 0.000 0.917 231 Q CB 0.402 29.038 28.738 -0.170 0.000 0.997 231 Q HN 0.316 nan 8.270 nan 0.000 0.497 232 G N 1.012 109.713 108.800 -0.166 0.000 2.132 232 G HA2 -0.300 3.661 3.960 0.001 0.000 0.234 232 G HA3 -0.300 3.661 3.960 0.001 0.000 0.234 232 G C -0.122 174.781 174.900 0.005 0.000 0.989 232 G CA 0.198 45.302 45.100 0.006 0.000 0.676 232 G HN 0.444 nan 8.290 nan 0.000 0.522 233 R N -1.342 119.118 120.500 -0.065 0.000 2.664 233 R HA 0.465 4.806 4.340 0.001 0.000 0.260 233 R C -0.186 176.101 176.300 -0.022 0.000 1.062 233 R CA -0.254 55.800 56.100 -0.077 0.000 0.902 233 R CB 0.308 30.591 30.300 -0.029 0.000 1.258 233 R HN 0.249 nan 8.270 nan 0.000 0.465 234 C N 0.742 120.078 119.300 0.060 0.000 2.480 234 C HA 0.309 4.769 4.460 0.001 0.000 0.358 234 C C 1.560 176.514 174.990 -0.059 0.000 1.309 234 C CA -0.400 58.657 59.018 0.065 0.000 2.465 234 C CB 1.500 29.339 27.740 0.166 0.000 2.379 234 C HN 0.866 nan 8.230 nan 0.000 0.642 235 S N 1.197 116.847 115.700 -0.083 0.000 2.556 235 S HA 0.029 4.500 4.470 0.001 0.000 0.216 235 S C 0.366 174.823 174.600 -0.239 0.000 0.970 235 S CA 0.068 58.191 58.200 -0.127 0.000 0.912 235 S CB -0.488 62.664 63.200 -0.081 0.000 0.790 235 S HN 0.791 nan 8.310 nan 0.000 0.504 236 N N 2.405 120.826 118.700 -0.465 0.000 2.740 236 N HA -0.131 4.609 4.740 0.001 0.000 0.248 236 N C -0.238 174.954 175.510 -0.531 0.000 1.062 236 N CA 0.987 53.397 53.050 -1.066 0.000 0.704 236 N CB -1.721 36.263 38.487 -0.839 0.000 0.968 236 N HN 0.664 nan 8.380 nan 0.000 0.547 237 S N -0.787 114.803 115.700 -0.183 0.000 2.586 237 S HA 0.795 5.266 4.470 0.001 0.000 0.274 237 S C 0.297 175.063 174.600 0.278 0.000 1.281 237 S CA -0.015 58.226 58.200 0.068 0.000 1.035 237 S CB 2.699 65.947 63.200 0.081 0.000 0.962 237 S HN 0.731 nan 8.310 nan 0.000 0.512 238 A N 2.356 125.337 122.820 0.268 0.000 2.547 238 A HA 0.630 4.951 4.320 0.001 0.000 0.300 238 A C -0.790 176.927 177.584 0.222 0.000 1.061 238 A CA -0.770 51.447 52.037 0.301 0.000 0.808 238 A CB 0.795 20.009 19.000 0.356 0.000 1.304 238 A HN 1.273 nan 8.150 nan 0.000 0.393 239 Q N -0.107 119.830 119.800 0.230 0.000 2.841 239 Q HA 0.727 5.068 4.340 0.001 0.000 0.309 239 Q C -0.650 175.471 176.000 0.201 0.000 0.868 239 Q CA -0.481 55.428 55.803 0.178 0.000 0.760 239 Q CB 0.839 29.682 28.738 0.175 0.000 1.454 239 Q HN 1.247 nan 8.270 nan 0.000 0.449 240 T N -1.280 113.340 114.554 0.111 0.000 2.909 240 T HA 0.713 5.063 4.350 0.001 0.000 0.286 240 T C 0.120 174.892 174.700 0.121 0.000 1.002 240 T CA 0.288 62.417 62.100 0.049 0.000 1.074 240 T CB 0.659 69.444 68.868 -0.138 0.000 0.984 240 T HN 1.103 nan 8.240 nan 0.000 0.495 241 C N 0.639 120.009 119.300 0.117 0.000 0.168 241 C HA 0.024 4.485 4.460 0.001 0.000 0.017 241 C C 0.129 175.037 174.990 -0.136 0.000 0.171 241 C CA -0.557 58.398 59.018 -0.106 0.000 0.499 241 C CB -2.500 25.053 27.740 -0.312 0.000 3.212 241 C HN 1.357 nan 8.230 nan 0.000 1.118 242 Y N -1.511 118.737 120.300 -0.087 0.000 2.675 242 Y HA -0.218 4.332 4.550 0.001 0.000 0.443 242 Y C 0.630 176.427 175.900 -0.172 0.000 1.485 242 Y CA 0.705 58.723 58.100 -0.136 0.000 1.848 242 Y CB -0.607 37.789 38.460 -0.107 0.000 1.869 242 Y HN 0.870 nan 8.280 nan 0.000 0.452 243 N N 1.492 120.215 118.700 0.038 0.000 2.472 243 N HA 0.271 5.011 4.740 0.001 0.000 0.277 243 N C -1.156 174.232 175.510 -0.203 0.000 1.081 243 N CA -0.376 52.661 53.050 -0.021 0.000 0.973 243 N CB 0.784 39.300 38.487 0.048 0.000 1.105 243 N HN 0.382 nan 8.380 nan 0.000 0.470 244 H N -0.475 118.699 119.070 0.174 0.000 2.533 244 H HA 0.572 5.129 4.556 0.001 0.000 0.343 244 H C 0.151 175.533 175.328 0.090 0.000 1.160 244 H CA -0.674 55.506 56.048 0.220 0.000 1.218 244 H CB 1.225 31.229 29.762 0.403 0.000 1.566 244 H HN 0.668 nan 8.280 nan 0.000 0.522 245 C N -0.199 119.223 119.300 0.204 0.000 3.213 245 C HA 0.907 5.368 4.460 0.001 0.000 0.319 245 C C 0.560 175.447 174.990 -0.171 0.000 1.386 245 C CA -0.917 57.953 59.018 -0.246 0.000 1.494 245 C CB 1.030 28.629 27.740 -0.234 0.000 1.905 245 C HN 1.005 nan 8.230 nan 0.000 0.456 246 G N 1.364 109.809 108.800 -0.592 0.000 3.302 246 G HA2 0.561 4.522 3.960 0.001 0.000 0.338 246 G HA3 0.561 4.522 3.960 0.001 0.000 0.338 246 G C -0.657 174.044 174.900 -0.331 0.000 1.405 246 G CA -0.078 44.838 45.100 -0.307 0.000 1.090 246 G HN 0.857 nan 8.290 nan 0.000 0.482 247 S N 1.596 117.191 115.700 -0.174 0.000 2.530 247 S HA 0.593 5.063 4.470 0.001 0.000 0.322 247 S C -0.313 174.358 174.600 0.118 0.000 1.085 247 S CA -0.447 57.650 58.200 -0.171 0.000 1.096 247 S CB 1.234 64.122 63.200 -0.521 0.000 0.988 247 S HN 0.434 nan 8.310 nan 0.000 0.466 248 L N 4.130 125.465 121.223 0.188 0.000 2.362 248 L HA 0.547 4.888 4.340 0.001 0.000 0.275 248 L C -0.141 177.055 176.870 0.544 0.000 0.998 248 L CA -0.661 54.418 54.840 0.399 0.000 0.820 248 L CB 1.663 43.968 42.059 0.410 0.000 1.270 248 L HN 0.689 nan 8.230 nan 0.000 0.415 249 H N 3.544 122.761 119.070 0.246 0.000 2.572 249 H HA 0.611 5.168 4.556 0.001 0.000 0.359 249 H C -1.599 173.469 175.328 -0.434 0.000 1.134 249 H CA -0.892 55.042 56.048 -0.190 0.000 1.187 249 H CB 2.577 32.051 29.762 -0.480 0.000 1.597 249 H HN 0.468 nan 8.280 nan 0.000 0.524 250 K N 2.856 122.439 120.400 -1.362 0.000 2.525 250 K HA 0.170 4.490 4.320 0.001 0.000 0.254 250 K C -1.542 174.143 176.600 -1.525 0.000 0.934 250 K CA -0.630 54.627 56.287 -1.716 0.000 0.802 250 K CB 2.215 33.222 32.500 -2.489 0.000 1.295 250 K HN 0.729 nan 8.250 nan 0.000 0.433 251 Q N 3.400 122.449 119.800 -1.252 0.000 2.245 251 Q HA 0.529 4.869 4.340 0.001 0.000 0.256 251 Q C -1.242 174.224 176.000 -0.890 0.000 0.942 251 Q CA -0.584 54.772 55.803 -0.747 0.000 0.896 251 Q CB 0.707 29.224 28.738 -0.368 0.000 1.272 251 Q HN 0.509 nan 8.270 nan 0.000 0.442 252 F N 0.468 120.327 119.950 -0.151 0.000 2.576 252 F HA 0.399 4.927 4.527 0.001 0.000 0.313 252 F C -0.214 175.575 175.800 -0.018 0.000 1.078 252 F CA -0.705 57.239 58.000 -0.092 0.000 0.921 252 F CB 2.533 41.498 39.000 -0.060 0.000 1.232 252 F HN 0.300 nan 8.300 nan 0.000 0.459 253 T N 4.277 118.941 114.554 0.183 0.000 2.770 253 T HA 0.658 5.009 4.350 0.001 0.000 0.283 253 T C -0.607 174.170 174.700 0.128 0.000 0.988 253 T CA -0.489 61.685 62.100 0.123 0.000 0.957 253 T CB 0.480 69.391 68.868 0.072 0.000 0.930 253 T HN 0.313 nan 8.240 nan 0.000 0.443 254 L N 3.575 124.869 121.223 0.119 0.000 2.333 254 L HA 0.454 4.795 4.340 0.001 0.000 0.280 254 L C 0.306 177.222 176.870 0.076 0.000 1.004 254 L CA -1.193 53.706 54.840 0.098 0.000 0.820 254 L CB 1.595 43.719 42.059 0.109 0.000 1.247 254 L HN 0.371 nan 8.230 nan 0.000 0.416 255 Q N 2.552 122.389 119.800 0.060 0.000 2.382 255 Q HA 0.300 4.640 4.340 0.001 0.000 0.229 255 Q C -2.273 173.754 176.000 0.045 0.000 1.006 255 Q CA -1.894 53.937 55.803 0.047 0.000 0.916 255 Q CB 0.308 29.069 28.738 0.039 0.000 1.235 255 Q HN 0.269 nan 8.270 nan 0.000 0.512 256 P HA -0.017 nan 4.420 nan 0.000 0.264 256 P C 0.513 177.830 177.300 0.028 0.000 1.193 256 P CA 1.336 64.455 63.100 0.031 0.000 0.763 256 P CB 0.241 31.954 31.700 0.022 0.000 0.810 257 G N 1.904 110.722 108.800 0.030 0.000 2.205 257 G HA2 -0.293 3.667 3.960 0.001 0.000 0.261 257 G HA3 -0.293 3.667 3.960 0.001 0.000 0.261 257 G C 0.265 175.184 174.900 0.031 0.000 0.980 257 G CA 0.125 45.240 45.100 0.024 0.000 0.632 257 G HN 0.626 nan 8.290 nan 0.000 0.533 258 E N 1.355 121.578 120.200 0.039 0.000 2.354 258 E HA 0.501 4.852 4.350 0.001 0.000 0.269 258 E C 0.388 177.017 176.600 0.047 0.000 1.036 258 E CA -0.034 56.391 56.400 0.041 0.000 0.876 258 E CB 0.271 29.998 29.700 0.044 0.000 1.009 258 E HN 0.635 nan 8.360 nan 0.000 0.416 259 E N 4.272 124.495 120.200 0.037 0.000 2.317 259 E HA 0.533 4.883 4.350 0.001 0.000 0.270 259 E C -0.485 176.120 176.600 0.007 0.000 0.885 259 E CA -0.929 55.491 56.400 0.034 0.000 0.760 259 E CB 1.456 31.183 29.700 0.046 0.000 1.227 259 E HN 0.527 nan 8.360 nan 0.000 0.434 260 I N -1.437 119.117 120.570 -0.027 0.000 2.892 260 I HA 0.701 4.872 4.170 0.001 0.000 0.306 260 I C -0.769 175.312 176.117 -0.060 0.000 1.078 260 I CA -1.268 59.995 61.300 -0.062 0.000 1.032 260 I CB 2.366 40.243 38.000 -0.205 0.000 1.229 260 I HN 0.563 nan 8.210 nan 0.000 0.435 261 R N 3.601 124.091 120.500 -0.016 0.000 2.621 261 R HA 0.733 5.073 4.340 0.001 0.000 0.284 261 R C -1.946 174.400 176.300 0.075 0.000 0.998 261 R CA -0.431 55.632 56.100 -0.061 0.000 0.895 261 R CB 2.053 32.327 30.300 -0.044 0.000 1.195 261 R HN 0.805 nan 8.270 nan 0.000 0.450 262 F N 0.589 120.521 119.950 -0.031 0.000 2.779 262 F HA 0.884 5.412 4.527 0.001 0.000 0.316 262 F C -1.888 173.888 175.800 -0.040 0.000 1.164 262 F CA -1.022 56.979 58.000 0.002 0.000 0.924 262 F CB 1.184 40.254 39.000 0.117 0.000 1.348 262 F HN 0.576 nan 8.300 nan 0.000 0.467 263 A N 0.340 123.232 122.820 0.120 0.000 2.539 263 A HA 0.800 5.120 4.320 0.001 0.000 0.296 263 A C -2.452 175.050 177.584 -0.135 0.000 1.073 263 A CA -0.719 51.299 52.037 -0.031 0.000 0.700 263 A CB 1.163 20.148 19.000 -0.025 0.000 1.296 263 A HN 0.740 nan 8.150 nan 0.000 0.405 264 Y N -0.261 120.029 120.300 -0.017 0.000 2.487 264 Y HA 0.724 5.275 4.550 0.001 0.000 0.337 264 Y C -0.290 175.358 175.900 -0.421 0.000 1.076 264 Y CA -0.725 57.178 58.100 -0.330 0.000 1.115 264 Y CB 1.912 39.958 38.460 -0.690 0.000 1.235 264 Y HN 0.473 nan 8.280 nan 0.000 0.468 265 I N 3.228 123.669 120.570 -0.214 0.000 2.512 265 I HA 0.288 4.459 4.170 0.001 0.000 0.287 265 I C -1.407 174.595 176.117 -0.191 0.000 1.069 265 I CA -0.515 60.709 61.300 -0.125 0.000 1.056 265 I CB 1.787 39.877 38.000 0.149 0.000 1.229 265 I HN 0.328 nan 8.210 nan 0.000 0.429 266 L N 6.464 127.513 121.223 -0.290 0.000 2.282 266 L HA 1.004 5.345 4.340 0.001 0.000 0.288 266 L C 0.031 176.578 176.870 -0.538 0.000 1.033 266 L CA 0.500 55.127 54.840 -0.355 0.000 0.807 266 L CB 0.902 42.855 42.059 -0.177 0.000 1.209 266 L HN 0.712 nan 8.230 nan 0.000 0.423 267 G N 4.736 112.905 108.800 -1.051 0.000 2.682 267 G HA2 0.588 4.549 3.960 0.001 0.000 0.303 267 G HA3 0.588 4.549 3.960 0.001 0.000 0.303 267 G C -1.629 172.847 174.900 -0.706 0.000 1.341 267 G CA -0.720 43.790 45.100 -0.983 0.000 0.784 267 G HN 0.594 nan 8.290 nan 0.000 0.497 268 I N 0.076 120.540 120.570 -0.176 0.000 2.646 268 I HA 0.694 4.864 4.170 0.001 0.000 0.299 268 I C 0.434 176.612 176.117 0.103 0.000 1.036 268 I CA -0.308 60.988 61.300 -0.006 0.000 1.074 268 I CB 2.095 39.956 38.000 -0.231 0.000 1.258 268 I HN 1.291 nan 8.210 nan 0.000 0.430 269 G N 3.753 112.591 108.800 0.063 0.000 3.039 269 G HA2 -0.130 3.831 3.960 0.001 0.000 0.686 269 G HA3 -0.130 3.831 3.960 0.001 0.000 0.686 269 G C -0.882 174.130 174.900 0.186 0.000 1.066 269 G CA -0.960 44.245 45.100 0.176 0.000 0.774 269 G HN 0.603 nan 8.290 nan 0.000 0.591 270 K N 0.762 121.167 120.400 0.008 0.000 2.414 270 K HA 0.443 4.763 4.320 0.001 0.000 0.272 270 K C 1.659 178.196 176.600 -0.106 0.000 0.993 270 K CA 1.003 57.183 56.287 -0.178 0.000 0.964 270 K CB 0.813 33.048 32.500 -0.441 0.000 0.925 270 K HN 2.124 nan 8.250 nan 0.000 0.487 271 G N 1.962 110.663 108.800 -0.165 0.000 2.396 271 G HA2 -0.326 3.634 3.960 0.001 0.000 0.242 271 G HA3 -0.326 3.634 3.960 0.001 0.000 0.242 271 G C 0.882 175.680 174.900 -0.170 0.000 1.069 271 G CA 0.357 45.365 45.100 -0.153 0.000 0.633 271 G HN 0.666 nan 8.290 nan 0.000 0.517 272 N N 1.397 120.013 118.700 -0.141 0.000 2.216 272 N HA -0.031 4.709 4.740 0.001 0.000 0.183 272 N C 2.327 177.591 175.510 -0.411 0.000 1.017 272 N CA 1.837 54.799 53.050 -0.146 0.000 0.861 272 N CB -0.859 37.687 38.487 0.099 0.000 0.986 272 N HN 0.599 nan 8.380 nan 0.000 0.428 273 G N 1.391 109.617 108.800 -0.956 0.000 2.421 273 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 273 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 273 G C 1.456 176.045 174.900 -0.518 0.000 1.171 273 G CA 0.770 45.114 45.100 -1.260 0.000 0.775 273 G HN 0.298 nan 8.290 nan 0.000 0.543 274 E N -0.205 119.764 120.200 -0.386 0.000 2.110 274 E HA -0.045 4.305 4.350 0.001 0.000 0.193 274 E C 2.381 178.865 176.600 -0.193 0.000 0.988 274 E CA 0.939 57.191 56.400 -0.247 0.000 0.804 274 E CB -0.152 29.424 29.700 -0.208 0.000 0.745 274 E HN 0.486 nan 8.360 nan 0.000 0.458 275 R N 0.497 120.878 120.500 -0.199 0.000 2.057 275 R HA -0.043 4.297 4.340 0.001 0.000 0.229 275 R C 2.087 178.288 176.300 -0.165 0.000 1.136 275 R CA 1.048 57.050 56.100 -0.163 0.000 0.952 275 R CB -0.220 29.983 30.300 -0.162 0.000 0.848 275 R HN 0.180 nan 8.270 nan 0.000 0.430 276 L N 1.155 122.270 121.223 -0.180 0.000 2.141 276 L HA -0.104 4.237 4.340 0.001 0.000 0.209 276 L C 2.729 179.544 176.870 -0.092 0.000 1.094 276 L CA 1.376 56.103 54.840 -0.188 0.000 0.763 276 L CB -0.469 41.576 42.059 -0.023 0.000 0.908 276 L HN 0.329 nan 8.230 nan 0.000 0.437 277 R N 0.426 120.890 120.500 -0.061 0.000 2.115 277 R HA -0.202 4.138 4.340 0.001 0.000 0.230 277 R C 1.912 178.198 176.300 -0.023 0.000 1.111 277 R CA 1.643 57.731 56.100 -0.020 0.000 0.976 277 R CB -0.414 29.836 30.300 -0.083 0.000 0.870 277 R HN 0.410 nan 8.270 nan 0.000 0.445 278 E N 0.246 120.412 120.200 -0.056 0.000 2.076 278 E HA -0.218 4.133 4.350 0.001 0.000 0.190 278 E C 1.801 178.383 176.600 -0.030 0.000 0.979 278 E CA 0.785 57.162 56.400 -0.038 0.000 0.807 278 E CB -0.091 29.580 29.700 -0.048 0.000 0.761 278 E HN 0.507 nan 8.360 nan 0.000 0.454 279 H N -0.626 118.321 119.070 -0.205 0.000 2.319 279 H HA -0.172 4.384 4.556 0.001 0.000 0.299 279 H C 1.032 176.234 175.328 -0.210 0.000 1.092 279 H CA 2.102 57.981 56.048 -0.280 0.000 1.302 279 H CB -0.170 29.288 29.762 -0.507 0.000 1.373 279 H HN 0.243 nan 8.280 nan 0.000 0.497 280 Y N 0.628 120.927 120.300 -0.003 0.000 2.529 280 Y HA 0.044 4.594 4.550 0.001 0.000 0.290 280 Y C 2.116 177.996 175.900 -0.033 0.000 1.177 280 Y CA 0.254 58.327 58.100 -0.045 0.000 1.305 280 Y CB -0.295 38.176 38.460 0.018 0.000 1.047 280 Y HN 0.393 nan 8.280 nan 0.000 0.522 281 Q N -0.307 119.539 119.800 0.076 0.000 2.291 281 Q HA -0.126 4.215 4.340 0.001 0.000 0.205 281 Q C 0.289 176.317 176.000 0.047 0.000 0.970 281 Q CA 0.896 56.738 55.803 0.065 0.000 0.876 281 Q CB 0.094 28.854 28.738 0.037 0.000 0.935 281 Q HN 0.245 nan 8.270 nan 0.000 0.455 282 D N 0.431 120.835 120.400 0.006 0.000 2.411 282 D HA 0.030 4.670 4.640 0.001 0.000 0.225 282 D C 1.103 177.416 176.300 0.021 0.000 1.156 282 D CA -0.265 53.731 54.000 -0.007 0.000 0.874 282 D CB 1.467 42.232 40.800 -0.060 0.000 1.034 282 D HN -0.021 nan 8.370 nan 0.000 0.502 283 V N 2.925 122.865 119.914 0.043 0.000 2.688 283 V HA -0.178 3.942 4.120 0.001 0.000 0.256 283 V C 2.052 178.178 176.094 0.054 0.000 1.084 283 V CA 1.711 64.044 62.300 0.055 0.000 1.103 283 V CB -1.101 30.744 31.823 0.036 0.000 0.688 283 V HN 0.479 nan 8.190 nan 0.000 0.480 284 A N 1.025 123.866 122.820 0.035 0.000 2.019 284 A HA -0.170 4.151 4.320 0.001 0.000 0.219 284 A C 2.060 179.682 177.584 0.063 0.000 1.164 284 A CA 1.925 53.986 52.037 0.039 0.000 0.644 284 A CB -0.770 18.244 19.000 0.024 0.000 0.805 284 A HN 0.626 nan 8.150 nan 0.000 0.449 285 N N -0.074 118.651 118.700 0.042 0.000 2.331 285 N HA -0.008 4.733 4.740 0.001 0.000 0.180 285 N C 1.557 177.239 175.510 0.287 0.000 1.019 285 N CA 1.086 54.182 53.050 0.077 0.000 0.881 285 N CB -0.265 38.040 38.487 -0.304 0.000 0.972 285 N HN 0.586 nan 8.380 nan 0.000 0.435 286 I N 1.007 121.724 120.570 0.244 0.000 2.233 286 I HA -0.176 3.995 4.170 0.001 0.000 0.243 286 I C 1.473 177.736 176.117 0.243 0.000 1.093 286 I CA 0.940 62.361 61.300 0.202 0.000 1.380 286 I CB -0.147 37.901 38.000 0.081 0.000 1.067 286 I HN -0.059 nan 8.210 nan 0.000 0.413 287 D N 1.349 121.837 120.400 0.147 0.000 2.144 287 D HA -0.145 4.495 4.640 0.001 0.000 0.199 287 D C 2.234 178.633 176.300 0.165 0.000 0.984 287 D CA 1.535 55.606 54.000 0.118 0.000 0.834 287 D CB -0.043 40.793 40.800 0.060 0.000 0.955 287 D HN 0.346 nan 8.370 nan 0.000 0.465 288 A N 1.195 124.116 122.820 0.168 0.000 1.898 288 A HA -0.003 4.318 4.320 0.001 0.000 0.216 288 A C 2.347 180.052 177.584 0.202 0.000 1.181 288 A CA 1.952 54.086 52.037 0.162 0.000 0.620 288 A CB -0.568 18.525 19.000 0.155 0.000 0.819 288 A HN 0.232 nan 8.150 nan 0.000 0.442 289 A N -1.290 121.709 122.820 0.299 0.000 1.902 289 A HA -0.040 4.281 4.320 0.001 0.000 0.217 289 A C 2.040 179.814 177.584 0.316 0.000 1.181 289 A CA 1.574 53.838 52.037 0.377 0.000 0.623 289 A CB -0.695 18.622 19.000 0.528 0.000 0.818 289 A HN 0.614 nan 8.150 nan 0.000 0.443 290 F N 0.914 120.870 119.950 0.011 0.000 2.146 290 F HA -0.031 4.497 4.527 0.001 0.000 0.298 290 F C 2.512 178.184 175.800 -0.214 0.000 1.096 290 F CA 1.036 58.767 58.000 -0.447 0.000 1.275 290 F CB -0.353 38.282 39.000 -0.608 0.000 1.008 290 F HN 0.242 nan 8.300 nan 0.000 0.480 291 A N 0.167 122.992 122.820 0.007 0.000 1.972 291 A HA -0.069 4.251 4.320 0.001 0.000 0.219 291 A C 2.367 179.918 177.584 -0.055 0.000 1.169 291 A CA 1.635 53.655 52.037 -0.028 0.000 0.635 291 A CB -1.451 17.582 19.000 0.054 0.000 0.810 291 A HN 0.461 nan 8.150 nan 0.000 0.446 292 A N -0.338 122.481 122.820 -0.002 0.000 1.969 292 A HA 0.008 4.329 4.320 0.001 0.000 0.218 292 A C 1.967 179.553 177.584 0.005 0.000 1.169 292 A CA 1.392 53.447 52.037 0.030 0.000 0.635 292 A CB -0.365 18.688 19.000 0.089 0.000 0.810 292 A HN 0.397 nan 8.150 nan 0.000 0.445 293 I N -0.249 120.272 120.570 -0.081 0.000 2.353 293 I HA -0.131 4.039 4.170 0.001 0.000 0.248 293 I C 2.052 178.143 176.117 -0.043 0.000 1.119 293 I CA 1.234 62.491 61.300 -0.071 0.000 1.417 293 I CB -0.775 37.130 38.000 -0.159 0.000 1.078 293 I HN 0.244 nan 8.210 nan 0.000 0.421 294 K N 0.952 121.218 120.400 -0.222 0.000 2.057 294 K HA -0.018 4.303 4.320 0.001 0.000 0.206 294 K C 2.160 178.774 176.600 0.024 0.000 1.050 294 K CA 1.338 57.560 56.287 -0.109 0.000 0.935 294 K CB -0.409 31.975 32.500 -0.193 0.000 0.715 294 K HN 0.246 nan 8.250 nan 0.000 0.439 295 A N 1.502 124.324 122.820 0.003 0.000 1.902 295 A HA -0.225 4.095 4.320 0.001 0.000 0.217 295 A C 2.160 179.750 177.584 0.010 0.000 1.181 295 A CA 1.624 53.670 52.037 0.016 0.000 0.623 295 A CB -0.855 18.151 19.000 0.010 0.000 0.818 295 A HN 0.404 nan 8.150 nan 0.000 0.443 296 H N -1.730 117.276 119.070 -0.106 0.000 2.321 296 H HA -0.239 4.318 4.556 0.001 0.000 0.295 296 H C 1.902 177.015 175.328 -0.358 0.000 1.102 296 H CA 2.445 58.339 56.048 -0.257 0.000 1.266 296 H CB -0.255 29.313 29.762 -0.323 0.000 1.363 296 H HN 0.720 nan 8.280 nan 0.000 0.492 297 W N 0.899 122.248 121.300 0.081 0.000 2.576 297 W HA -0.009 4.652 4.660 0.001 0.000 0.270 297 W C 2.327 178.818 176.519 -0.047 0.000 1.255 297 W CA 0.076 57.416 57.345 -0.009 0.000 1.314 297 W CB 0.210 29.641 29.460 -0.048 0.000 1.101 297 W HN 0.175 nan 8.180 nan 0.000 0.595 298 D N 0.669 121.155 120.400 0.144 0.000 2.117 298 D HA -0.172 4.469 4.640 0.001 0.000 0.197 298 D C 1.662 177.992 176.300 0.050 0.000 0.987 298 D CA 1.485 55.539 54.000 0.089 0.000 0.829 298 D CB -0.374 40.461 40.800 0.058 0.000 0.961 298 D HN 0.337 nan 8.370 nan 0.000 0.460 299 E N 0.460 120.652 120.200 -0.013 0.000 2.077 299 E HA -0.133 4.217 4.350 0.001 0.000 0.193 299 E C 2.263 178.834 176.600 -0.048 0.000 0.989 299 E CA 0.715 57.086 56.400 -0.049 0.000 0.800 299 E CB 0.033 29.663 29.700 -0.118 0.000 0.746 299 E HN 0.214 nan 8.360 nan 0.000 0.452 300 R N 0.162 120.610 120.500 -0.086 0.000 2.062 300 R HA -0.046 4.295 4.340 0.001 0.000 0.229 300 R C 2.542 178.907 176.300 0.109 0.000 1.128 300 R CA 1.310 57.375 56.100 -0.059 0.000 0.960 300 R CB -0.444 29.773 30.300 -0.139 0.000 0.855 300 R HN 0.216 nan 8.270 nan 0.000 0.432 301 C N 0.364 119.770 119.300 0.176 0.000 2.425 301 C HA -0.064 4.397 4.460 0.001 0.000 0.277 301 C C 2.849 177.965 174.990 0.210 0.000 1.280 301 C CA 0.757 59.903 59.018 0.212 0.000 1.744 301 C CB -0.951 26.887 27.740 0.164 0.000 1.989 301 C HN 0.592 nan 8.230 nan 0.000 0.491 302 A N 0.284 123.193 122.820 0.149 0.000 2.125 302 A HA -0.177 4.144 4.320 0.001 0.000 0.219 302 A C 2.044 179.724 177.584 0.159 0.000 1.156 302 A CA 1.334 53.450 52.037 0.132 0.000 0.671 302 A CB -0.428 18.624 19.000 0.087 0.000 0.794 302 A HN 0.741 nan 8.150 nan 0.000 0.459 303 K N -2.445 118.083 120.400 0.213 0.000 2.432 303 K HA 0.141 4.462 4.320 0.001 0.000 0.196 303 K C -0.558 176.287 176.600 0.408 0.000 1.038 303 K CA 0.442 56.900 56.287 0.284 0.000 0.986 303 K CB 0.068 32.741 32.500 0.287 0.000 0.782 303 K HN 0.471 nan 8.250 nan 0.000 0.485 304 F N 1.371 121.480 119.950 0.265 0.000 3.152 304 F HA 0.176 4.703 4.527 0.001 0.000 0.367 304 F C -1.544 174.360 175.800 0.172 0.000 1.272 304 F CA -0.919 57.197 58.000 0.194 0.000 1.172 304 F CB 1.317 40.415 39.000 0.163 0.000 1.552 304 F HN -0.266 nan 8.300 nan 0.000 0.616 305 Q N 4.464 124.339 119.800 0.124 0.000 2.356 305 Q HA 0.604 4.944 4.340 0.001 0.000 0.270 305 Q C -1.463 174.585 176.000 0.080 0.000 1.058 305 Q CA -0.751 55.160 55.803 0.180 0.000 0.802 305 Q CB 3.217 32.028 28.738 0.122 0.000 1.303 305 Q HN 0.541 nan 8.270 nan 0.000 0.444 306 V N 1.877 121.889 119.914 0.163 0.000 2.823 306 V HA 0.634 4.754 4.120 0.001 0.000 0.312 306 V C -1.316 174.825 176.094 0.078 0.000 1.072 306 V CA -0.611 61.766 62.300 0.128 0.000 0.937 306 V CB 2.126 34.056 31.823 0.178 0.000 1.013 306 V HN 0.703 nan 8.190 nan 0.000 0.430 307 K N 4.163 124.606 120.400 0.071 0.000 2.535 307 K HA 0.700 5.021 4.320 0.001 0.000 0.253 307 K C -0.690 175.901 176.600 -0.015 0.000 0.953 307 K CA -0.164 56.133 56.287 0.016 0.000 0.863 307 K CB 1.481 33.992 32.500 0.018 0.000 1.111 307 K HN 0.987 nan 8.250 nan 0.000 0.431 308 S N 2.377 117.991 115.700 -0.143 0.000 2.732 308 S HA 0.550 5.020 4.470 0.001 0.000 0.293 308 S C -2.320 171.986 174.600 -0.489 0.000 1.159 308 S CA -1.155 56.815 58.200 -0.383 0.000 0.847 308 S CB 1.534 64.393 63.200 -0.568 0.000 1.169 308 S HN 0.368 nan 8.310 nan 0.000 0.501 309 P HA 0.163 nan 4.420 nan 0.000 0.229 309 P C -0.289 176.785 177.300 -0.377 0.000 1.160 309 P CA 0.541 63.273 63.100 -0.613 0.000 0.777 309 P CB -0.052 31.114 31.700 -0.889 0.000 0.814 310 N N 0.531 119.017 118.700 -0.357 0.000 2.500 310 N HA 0.018 4.759 4.740 0.001 0.000 0.236 310 N C 0.944 176.378 175.510 -0.127 0.000 1.022 310 N CA 0.029 53.019 53.050 -0.101 0.000 0.935 310 N CB 0.942 39.486 38.487 0.095 0.000 1.147 310 N HN -0.189 nan 8.380 nan 0.000 0.512 311 Q N 3.334 123.061 119.800 -0.122 0.000 2.124 311 Q HA -0.004 4.337 4.340 0.001 0.000 0.202 311 Q C 1.644 177.388 176.000 -0.427 0.000 0.977 311 Q CA 2.136 57.830 55.803 -0.182 0.000 0.850 311 Q CB -0.575 28.114 28.738 -0.083 0.000 0.901 311 Q HN 0.768 nan 8.270 nan 0.000 0.429 312 G N 0.747 109.256 108.800 -0.486 0.000 2.418 312 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 312 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 312 G C 1.441 176.112 174.900 -0.380 0.000 1.158 312 G CA 0.843 45.415 45.100 -0.879 0.000 0.771 312 G HN 0.426 nan 8.290 nan 0.000 0.545 313 L N 0.224 121.408 121.223 -0.065 0.000 2.017 313 L HA -0.054 4.286 4.340 0.001 0.000 0.208 313 L C 2.427 179.275 176.870 -0.038 0.000 1.073 313 L CA 2.017 56.876 54.840 0.032 0.000 0.745 313 L CB -0.312 41.689 42.059 -0.097 0.000 0.894 313 L HN 0.080 nan 8.230 nan 0.000 0.432 314 D N -0.568 119.777 120.400 -0.092 0.000 2.092 314 D HA -0.193 4.447 4.640 0.001 0.000 0.193 314 D C 2.130 178.419 176.300 -0.018 0.000 0.994 314 D CA 1.979 55.952 54.000 -0.045 0.000 0.828 314 D CB -0.494 40.267 40.800 -0.065 0.000 0.963 314 D HN 0.338 nan 8.370 nan 0.000 0.450 315 T N 0.824 115.300 114.554 -0.129 0.000 2.720 315 T HA -0.149 4.202 4.350 0.001 0.000 0.268 315 T C 1.886 176.667 174.700 0.136 0.000 1.037 315 T CA 1.136 63.203 62.100 -0.054 0.000 1.144 315 T CB -0.061 68.597 68.868 -0.352 0.000 0.864 315 T HN 0.087 nan 8.240 nan 0.000 0.444 316 M N 0.369 120.017 119.600 0.081 0.000 2.160 316 M HA 0.099 4.579 4.480 0.001 0.000 0.264 316 M C 2.282 178.763 176.300 0.301 0.000 1.073 316 M CA 1.055 56.515 55.300 0.267 0.000 1.142 316 M CB -1.007 31.730 32.600 0.228 0.000 1.358 316 M HN 0.182 nan 8.290 nan 0.000 0.422 317 I N 0.980 121.694 120.570 0.239 0.000 2.315 317 I HA -0.232 3.938 4.170 0.001 0.000 0.248 317 I C 1.657 177.960 176.117 0.310 0.000 1.117 317 I CA 1.153 62.613 61.300 0.268 0.000 1.404 317 I CB -1.492 36.564 38.000 0.093 0.000 1.071 317 I HN 0.310 nan 8.210 nan 0.000 0.419 318 N N 0.552 119.385 118.700 0.222 0.000 2.550 318 N HA 0.025 4.766 4.740 0.001 0.000 0.186 318 N C 1.219 176.804 175.510 0.125 0.000 1.110 318 N CA 1.051 54.223 53.050 0.203 0.000 0.912 318 N CB 0.668 39.244 38.487 0.149 0.000 0.968 318 N HN 0.445 nan 8.380 nan 0.000 0.448 319 A N -1.067 121.795 122.820 0.069 0.000 1.703 319 A HA 0.153 4.473 4.320 0.001 0.000 0.152 319 A C 1.008 178.451 177.584 -0.236 0.000 1.447 319 A CA -0.193 51.729 52.037 -0.191 0.000 1.675 319 A CB -0.893 17.833 19.000 -0.456 0.000 1.582 319 A HN 0.159 nan 8.150 nan 0.000 0.983 320 W N 1.688 123.077 121.300 0.149 0.000 2.321 320 W HA -0.110 4.551 4.660 0.001 0.000 0.306 320 W C 2.320 178.921 176.519 0.137 0.000 1.217 320 W CA 2.332 59.777 57.345 0.167 0.000 1.257 320 W CB -0.589 28.999 29.460 0.213 0.000 1.145 320 W HN 0.348 nan 8.180 nan 0.000 0.509 321 T N 0.644 115.420 114.554 0.369 0.000 2.942 321 T HA -0.122 4.229 4.350 0.001 0.000 0.265 321 T C 1.725 176.537 174.700 0.187 0.000 1.062 321 T CA 1.135 63.446 62.100 0.352 0.000 1.139 321 T CB -0.494 68.691 68.868 0.528 0.000 0.883 321 T HN 0.016 nan 8.240 nan 0.000 0.468 322 L N 0.538 121.818 121.223 0.095 0.000 2.017 322 L HA -0.005 4.336 4.340 0.001 0.000 0.208 322 L C 2.087 178.968 176.870 0.018 0.000 1.073 322 L CA 1.649 56.365 54.840 -0.206 0.000 0.745 322 L CB -0.815 41.213 42.059 -0.052 0.000 0.894 322 L HN 0.371 nan 8.230 nan 0.000 0.432 323 Y N -0.228 119.983 120.300 -0.149 0.000 2.128 323 Y HA -0.363 4.188 4.550 0.001 0.000 0.284 323 Y C 2.819 178.706 175.900 -0.021 0.000 1.154 323 Y CA 1.894 59.825 58.100 -0.281 0.000 1.149 323 Y CB -0.012 38.137 38.460 -0.517 0.000 0.976 323 Y HN 0.428 nan 8.280 nan 0.000 0.505 324 Q N 0.193 119.955 119.800 -0.064 0.000 2.084 324 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 324 Q C 2.354 178.350 176.000 -0.007 0.000 0.978 324 Q CA 1.450 57.167 55.803 -0.144 0.000 0.844 324 Q CB -0.289 28.349 28.738 -0.166 0.000 0.898 324 Q HN 0.608 nan 8.270 nan 0.000 0.426 325 A N 0.822 123.656 122.820 0.023 0.000 1.877 325 A HA -0.253 4.067 4.320 0.001 0.000 0.216 325 A C 1.873 179.476 177.584 0.032 0.000 1.186 325 A CA 1.753 53.799 52.037 0.015 0.000 0.620 325 A CB -0.721 18.257 19.000 -0.036 0.000 0.822 325 A HN 0.594 nan 8.150 nan 0.000 0.443 326 E N -0.952 119.301 120.200 0.090 0.000 2.150 326 E HA -0.128 4.222 4.350 0.001 0.000 0.193 326 E C 1.855 178.555 176.600 0.168 0.000 0.985 326 E CA 1.398 57.889 56.400 0.152 0.000 0.814 326 E CB -0.113 29.786 29.700 0.333 0.000 0.752 326 E HN 0.561 nan 8.360 nan 0.000 0.466 327 T N -0.217 114.450 114.554 0.188 0.000 2.788 327 T HA -0.169 4.181 4.350 0.001 0.000 0.268 327 T C 1.871 176.631 174.700 0.100 0.000 1.044 327 T CA 1.172 63.383 62.100 0.185 0.000 1.139 327 T CB -0.337 68.554 68.868 0.040 0.000 0.867 327 T HN 0.350 nan 8.240 nan 0.000 0.454 328 C N 0.797 120.120 119.300 0.039 0.000 2.446 328 C HA 0.017 4.477 4.460 0.001 0.000 0.277 328 C C 2.839 177.819 174.990 -0.017 0.000 1.275 328 C CA 0.100 59.121 59.018 0.005 0.000 1.727 328 C CB -1.089 26.651 27.740 0.000 0.000 2.010 328 C HN 0.355 nan 8.230 nan 0.000 0.486 329 V N 0.572 120.471 119.914 -0.026 0.000 2.343 329 V HA -0.169 3.952 4.120 0.001 0.000 0.247 329 V C 2.357 178.380 176.094 -0.118 0.000 1.051 329 V CA 2.019 64.280 62.300 -0.065 0.000 1.036 329 V CB -0.587 31.200 31.823 -0.059 0.000 0.654 329 V HN 0.462 nan 8.190 nan 0.000 0.451 330 V N -1.759 118.053 119.914 -0.169 0.000 2.346 330 V HA -0.162 3.959 4.120 0.001 0.000 0.244 330 V C 1.821 177.620 176.094 -0.490 0.000 1.037 330 V CA 1.765 63.817 62.300 -0.413 0.000 1.029 330 V CB -0.529 30.925 31.823 -0.614 0.000 0.663 330 V HN 0.679 nan 8.190 nan 0.000 0.454 331 W N -0.640 120.675 121.300 0.025 0.000 3.278 331 W HA 0.521 5.181 4.660 0.001 0.000 0.308 331 W C 1.417 177.947 176.519 0.019 0.000 1.253 331 W CA 0.675 58.059 57.345 0.066 0.000 1.759 331 W CB 0.197 29.720 29.460 0.104 0.000 1.093 331 W HN 0.247 nan 8.180 nan 0.000 0.648 332 S N 0.453 116.212 115.700 0.098 0.000 3.486 332 S HA -0.252 4.218 4.470 0.001 0.000 0.632 332 S C 0.903 175.417 174.600 -0.143 0.000 2.553 332 S CA 1.040 59.222 58.200 -0.029 0.000 2.974 332 S CB -0.686 62.522 63.200 0.014 0.000 0.320 332 S HN 0.302 nan 8.310 nan 0.000 1.613 333 R N -0.007 120.206 120.500 -0.478 0.000 2.565 333 R HA 0.299 4.639 4.340 0.001 0.000 0.347 333 R C 0.001 175.810 176.300 -0.818 0.000 1.010 333 R CA 0.275 55.970 56.100 -0.675 0.000 1.126 333 R CB -0.396 29.396 30.300 -0.847 0.000 1.331 333 R HN 0.479 nan 8.270 nan 0.000 0.552 334 F N 0.511 120.461 119.950 -0.000 0.000 2.772 334 F HA 0.492 5.019 4.527 0.001 0.000 0.302 334 F C 0.456 176.214 175.800 -0.069 0.000 1.136 334 F CA -0.859 57.114 58.000 -0.044 0.000 1.322 334 F CB 0.859 39.801 39.000 -0.098 0.000 0.967 334 F HN -0.151 nan 8.300 nan 0.000 0.513 335 A N 0.510 123.381 122.820 0.084 0.000 2.745 335 A HA 0.692 5.013 4.320 0.001 0.000 0.301 335 A C -0.090 177.618 177.584 0.207 0.000 1.188 335 A CA -0.096 52.001 52.037 0.101 0.000 0.746 335 A CB 0.255 19.225 19.000 -0.050 0.000 1.207 335 A HN 0.211 nan 8.150 nan 0.000 0.432 336 S N 0.172 116.004 115.700 0.219 0.000 3.121 336 S HA 0.742 5.212 4.470 0.001 0.000 0.324 336 S C -0.238 174.580 174.600 0.363 0.000 1.192 336 S CA -0.326 57.997 58.200 0.206 0.000 0.937 336 S CB 0.273 63.599 63.200 0.209 0.000 1.336 336 S HN 0.330 nan 8.310 nan 0.000 0.664 337 F N 0.495 120.460 119.950 0.025 0.000 2.776 337 F HA 0.487 5.014 4.527 0.001 0.000 0.300 337 F C 1.452 177.346 175.800 0.157 0.000 1.116 337 F CA -0.671 57.397 58.000 0.113 0.000 1.375 337 F CB -0.197 38.883 39.000 0.133 0.000 1.109 337 F HN 0.327 nan 8.300 nan 0.000 0.585 338 I N -1.147 119.569 120.570 0.242 0.000 3.039 338 I HA 0.048 4.219 4.170 0.001 0.000 0.270 338 I C 0.498 176.648 176.117 0.054 0.000 1.150 338 I CA 0.684 62.026 61.300 0.069 0.000 1.448 338 I CB -0.458 37.457 38.000 -0.142 0.000 1.197 338 I HN -0.225 nan 8.210 nan 0.000 0.450 339 E N 2.575 122.828 120.200 0.088 0.000 2.001 339 E HA 0.220 4.570 4.350 0.001 0.000 0.279 339 E C 0.332 176.987 176.600 0.091 0.000 1.045 339 E CA -0.023 56.436 56.400 0.098 0.000 0.833 339 E CB 1.411 31.190 29.700 0.132 0.000 1.077 339 E HN 0.117 nan 8.360 nan 0.000 0.397 340 V N 0.274 120.212 119.914 0.040 0.000 3.111 340 V HA 0.680 4.801 4.120 0.001 0.000 0.343 340 V C 0.397 176.436 176.094 -0.091 0.000 1.417 340 V CA 0.019 62.299 62.300 -0.033 0.000 1.142 340 V CB 0.475 32.313 31.823 0.025 0.000 1.114 340 V HN 0.515 nan 8.190 nan 0.000 0.520 341 G N -1.908 106.845 108.800 -0.079 0.000 2.343 341 G HA2 0.561 4.522 3.960 0.001 0.000 0.298 341 G HA3 0.561 4.522 3.960 0.001 0.000 0.298 341 G C 0.058 174.898 174.900 -0.100 0.000 1.644 341 G CA 0.370 45.402 45.100 -0.114 0.000 0.958 341 G HN 1.760 nan 8.290 nan 0.000 0.702 342 G N 0.810 109.524 108.800 -0.144 0.000 3.597 342 G HA2 -0.129 3.832 3.960 0.001 0.000 0.256 342 G HA3 -0.129 3.832 3.960 0.001 0.000 0.256 342 G C 0.502 175.285 174.900 -0.195 0.000 1.792 342 G CA 0.315 45.338 45.100 -0.128 0.000 1.219 342 G HN 1.106 nan 8.290 nan 0.000 0.577 343 R N 1.473 121.837 120.500 -0.225 0.000 2.570 343 R HA 0.522 4.862 4.340 0.001 0.000 0.277 343 R C -0.021 175.874 176.300 -0.674 0.000 1.039 343 R CA 1.191 57.008 56.100 -0.472 0.000 1.065 343 R CB 0.830 30.805 30.300 -0.543 0.000 0.964 343 R HN 0.608 nan 8.270 nan 0.000 0.428 344 T N 0.148 114.228 114.554 -0.791 0.000 2.802 344 T HA 0.575 4.925 4.350 0.001 0.000 0.311 344 T C -0.111 174.281 174.700 -0.514 0.000 1.405 344 T CA 0.493 62.255 62.100 -0.564 0.000 1.016 344 T CB 1.635 70.310 68.868 -0.321 0.000 1.352 344 T HN 0.850 nan 8.240 nan 0.000 0.498 345 G N 1.379 110.046 108.800 -0.221 0.000 2.601 345 G HA2 -0.048 3.912 3.960 0.001 0.000 0.224 345 G HA3 -0.048 3.912 3.960 0.001 0.000 0.224 345 G C -1.491 173.350 174.900 -0.098 0.000 1.171 345 G CA -0.180 44.760 45.100 -0.267 0.000 1.009 345 G HN 0.958 nan 8.290 nan 0.000 0.589 346 L N 1.229 122.239 121.223 -0.355 0.000 2.386 346 L HA 0.683 5.023 4.340 0.001 0.000 0.271 346 L C 0.802 177.597 176.870 -0.125 0.000 0.993 346 L CA -0.460 54.228 54.840 -0.253 0.000 0.819 346 L CB 2.189 43.893 42.059 -0.593 0.000 1.294 346 L HN 1.010 nan 8.230 nan 0.000 0.414 347 G N 0.148 109.017 108.800 0.116 0.000 2.325 347 G HA2 0.207 4.167 3.960 0.001 0.000 0.298 347 G HA3 0.207 4.167 3.960 0.001 0.000 0.298 347 G C 0.028 174.993 174.900 0.108 0.000 1.134 347 G CA -0.134 45.035 45.100 0.115 0.000 0.876 347 G HN 0.655 nan 8.290 nan 0.000 0.452 348 Y N 2.700 123.085 120.300 0.142 0.000 2.030 348 Y HA -0.304 4.247 4.550 0.001 0.000 0.274 348 Y C 3.087 179.126 175.900 0.232 0.000 1.153 348 Y CA 2.683 60.953 58.100 0.284 0.000 1.115 348 Y CB 0.158 38.835 38.460 0.362 0.000 0.969 348 Y HN 0.667 nan 8.280 nan 0.000 0.488 349 R N 0.133 120.903 120.500 0.451 0.000 2.120 349 R HA -0.135 4.206 4.340 0.001 0.000 0.234 349 R C 1.520 177.878 176.300 0.097 0.000 1.123 349 R CA 1.809 58.119 56.100 0.351 0.000 0.975 349 R CB -0.708 29.816 30.300 0.374 0.000 0.866 349 R HN 0.356 nan 8.270 nan 0.000 0.446 350 D N 0.765 121.208 120.400 0.072 0.000 2.084 350 D HA -0.117 4.524 4.640 0.001 0.000 0.194 350 D C 1.640 177.948 176.300 0.013 0.000 0.990 350 D CA 1.988 56.006 54.000 0.031 0.000 0.826 350 D CB -0.327 40.464 40.800 -0.014 0.000 0.971 350 D HN 0.275 nan 8.370 nan 0.000 0.453 351 T N 1.022 115.564 114.554 -0.020 0.000 2.904 351 T HA 0.011 4.362 4.350 0.001 0.000 0.267 351 T C 2.047 176.723 174.700 -0.040 0.000 1.059 351 T CA 0.950 63.019 62.100 -0.051 0.000 1.137 351 T CB -0.091 68.723 68.868 -0.090 0.000 0.879 351 T HN 0.174 nan 8.240 nan 0.000 0.467 352 A N 1.502 124.316 122.820 -0.010 0.000 1.902 352 A HA -0.177 4.143 4.320 0.001 0.000 0.217 352 A C 2.263 179.897 177.584 0.083 0.000 1.181 352 A CA 1.493 53.568 52.037 0.063 0.000 0.623 352 A CB -0.519 18.621 19.000 0.234 0.000 0.818 352 A HN 0.527 nan 8.150 nan 0.000 0.443 353 Q N -0.697 119.135 119.800 0.054 0.000 2.096 353 Q HA -0.125 4.215 4.340 0.001 0.000 0.197 353 Q C 1.542 177.476 176.000 -0.110 0.000 0.964 353 Q CA 1.160 56.966 55.803 0.005 0.000 0.838 353 Q CB -0.189 28.588 28.738 0.067 0.000 0.906 353 Q HN 0.557 nan 8.270 nan 0.000 0.444 354 D N 1.107 121.478 120.400 -0.048 0.000 2.133 354 D HA -0.172 4.468 4.640 0.001 0.000 0.195 354 D C 1.655 177.896 176.300 -0.099 0.000 0.997 354 D CA 1.477 55.437 54.000 -0.068 0.000 0.840 354 D CB -0.243 40.536 40.800 -0.034 0.000 0.947 354 D HN 0.268 nan 8.370 nan 0.000 0.452 355 A N 0.367 123.136 122.820 -0.086 0.000 2.225 355 A HA -0.084 4.237 4.320 0.001 0.000 0.215 355 A C 2.148 179.674 177.584 -0.098 0.000 1.164 355 A CA 0.406 52.395 52.037 -0.081 0.000 0.710 355 A CB -0.655 18.301 19.000 -0.073 0.000 0.780 355 A HN 0.310 nan 8.150 nan 0.000 0.473 356 I N -0.188 120.264 120.570 -0.197 0.000 3.226 356 I HA -0.119 4.052 4.170 0.001 0.000 0.277 356 I C 2.405 178.325 176.117 -0.329 0.000 1.243 356 I CA 1.187 62.292 61.300 -0.324 0.000 1.459 356 I CB 0.083 37.713 38.000 -0.618 0.000 1.093 356 I HN 0.469 nan 8.210 nan 0.000 0.453 357 S N 0.370 115.951 115.700 -0.198 0.000 2.395 357 S HA -0.054 4.416 4.470 0.001 0.000 0.225 357 S C 1.231 175.949 174.600 0.196 0.000 1.027 357 S CA 0.828 59.037 58.200 0.015 0.000 0.965 357 S CB -0.203 63.009 63.200 0.021 0.000 0.812 357 S HN 0.301 nan 8.310 nan 0.000 0.482 358 V N -1.908 118.080 119.914 0.123 0.000 2.838 358 V HA 0.502 4.622 4.120 0.001 0.000 0.363 358 V C -1.967 174.210 176.094 0.138 0.000 1.324 358 V CA -1.087 61.324 62.300 0.186 0.000 1.220 358 V CB 0.574 32.393 31.823 -0.007 0.000 1.328 358 V HN 0.177 nan 8.190 nan 0.000 0.595 359 P HA -0.167 nan 4.420 nan 0.000 0.226 359 P C 1.412 178.798 177.300 0.143 0.000 1.153 359 P CA 1.835 65.031 63.100 0.159 0.000 0.777 359 P CB -0.113 31.698 31.700 0.185 0.000 0.794 360 H N -0.358 118.781 119.070 0.116 0.000 2.470 360 H HA 0.221 4.777 4.556 0.001 0.000 0.289 360 H C 1.476 176.868 175.328 0.107 0.000 1.033 360 H CA 1.363 57.497 56.048 0.144 0.000 1.331 360 H CB -0.713 29.179 29.762 0.217 0.000 1.414 360 H HN 0.084 nan 8.280 nan 0.000 0.545 361 A N 0.366 122.739 122.820 -0.745 0.000 1.993 361 A HA 0.053 4.373 4.320 0.001 0.000 0.207 361 A C 1.115 178.525 177.584 -0.290 0.000 1.224 361 A CA 0.460 52.170 52.037 -0.545 0.000 0.749 361 A CB 0.277 18.900 19.000 -0.628 0.000 0.884 361 A HN 0.345 nan 8.150 nan 0.000 0.467 362 N N -0.248 118.327 118.700 -0.208 0.000 2.752 362 N HA 0.204 4.944 4.740 0.001 0.000 0.260 362 N C -2.421 173.048 175.510 -0.068 0.000 1.562 362 N CA -1.574 51.386 53.050 -0.150 0.000 0.788 362 N CB 1.322 39.717 38.487 -0.154 0.000 1.192 362 N HN 0.051 nan 8.380 nan 0.000 0.503 363 P HA -0.094 nan 4.420 nan 0.000 0.218 363 P C 0.583 177.919 177.300 0.061 0.000 1.149 363 P CA 1.156 64.307 63.100 0.084 0.000 0.817 363 P CB 0.791 32.529 31.700 0.063 0.000 0.785 364 E N -0.306 119.883 120.200 -0.018 0.000 2.051 364 E HA -0.163 4.188 4.350 0.001 0.000 0.192 364 E C 2.127 178.672 176.600 -0.090 0.000 0.991 364 E CA 1.316 57.687 56.400 -0.049 0.000 0.799 364 E CB -0.850 28.816 29.700 -0.056 0.000 0.748 364 E HN 0.110 nan 8.360 nan 0.000 0.449 365 M N 0.251 119.792 119.600 -0.098 0.000 2.254 365 M HA -0.059 4.421 4.480 0.001 0.000 0.265 365 M C 1.802 178.022 176.300 -0.134 0.000 1.066 365 M CA 1.538 56.766 55.300 -0.120 0.000 1.123 365 M CB -0.316 32.205 32.600 -0.131 0.000 1.388 365 M HN 0.015 nan 8.290 nan 0.000 0.425 366 T N -0.019 114.463 114.554 -0.119 0.000 2.746 366 T HA -0.154 4.196 4.350 0.001 0.000 0.267 366 T C 1.919 176.425 174.700 -0.322 0.000 1.039 366 T CA 1.660 63.673 62.100 -0.144 0.000 1.142 366 T CB -0.291 68.562 68.868 -0.025 0.000 0.866 366 T HN 0.440 nan 8.240 nan 0.000 0.444 367 R N 0.944 121.173 120.500 -0.452 0.000 2.081 367 R HA -0.084 4.257 4.340 0.001 0.000 0.235 367 R C 2.524 178.607 176.300 -0.362 0.000 1.131 367 R CA 1.220 56.886 56.100 -0.724 0.000 0.960 367 R CB -0.122 29.809 30.300 -0.616 0.000 0.856 367 R HN 0.080 nan 8.270 nan 0.000 0.436 368 K N 0.625 120.897 120.400 -0.214 0.000 2.032 368 K HA -0.156 4.164 4.320 0.001 0.000 0.209 368 K C 1.939 178.481 176.600 -0.097 0.000 1.048 368 K CA 1.417 57.633 56.287 -0.119 0.000 0.927 368 K CB -0.084 32.358 32.500 -0.096 0.000 0.712 368 K HN 0.100 nan 8.250 nan 0.000 0.441 369 R N 0.608 121.035 120.500 -0.122 0.000 2.092 369 R HA 0.010 4.351 4.340 0.001 0.000 0.231 369 R C 2.457 178.710 176.300 -0.078 0.000 1.119 369 R CA 0.830 56.876 56.100 -0.091 0.000 0.970 369 R CB -0.705 29.532 30.300 -0.105 0.000 0.864 369 R HN 0.350 nan 8.270 nan 0.000 0.440 370 I N 0.244 120.738 120.570 -0.127 0.000 2.252 370 I HA -0.229 3.942 4.170 0.001 0.000 0.245 370 I C 2.196 178.313 176.117 -0.001 0.000 1.102 370 I CA 0.993 62.246 61.300 -0.078 0.000 1.385 370 I CB -0.233 37.667 38.000 -0.167 0.000 1.064 370 I HN -0.124 nan 8.210 nan 0.000 0.414 371 V N 0.672 120.588 119.914 0.003 0.000 2.407 371 V HA -0.278 3.842 4.120 0.001 0.000 0.248 371 V C 2.059 178.170 176.094 0.029 0.000 1.055 371 V CA 1.837 64.157 62.300 0.034 0.000 1.049 371 V CB -0.674 31.177 31.823 0.047 0.000 0.662 371 V HN 0.393 nan 8.190 nan 0.000 0.455 372 D N 0.270 120.706 120.400 0.060 0.000 2.104 372 D HA -0.155 4.486 4.640 0.001 0.000 0.194 372 D C 2.133 178.558 176.300 0.209 0.000 0.994 372 D CA 1.349 55.452 54.000 0.171 0.000 0.830 372 D CB -0.262 40.638 40.800 0.166 0.000 0.959 372 D HN 0.344 nan 8.370 nan 0.000 0.452 373 L N 0.167 121.451 121.223 0.101 0.000 2.093 373 L HA -0.118 4.223 4.340 0.001 0.000 0.208 373 L C 2.553 179.448 176.870 0.041 0.000 1.085 373 L CA 0.522 55.352 54.840 -0.016 0.000 0.755 373 L CB -0.270 41.657 42.059 -0.221 0.000 0.904 373 L HN 0.033 nan 8.230 nan 0.000 0.435 374 L N -0.728 120.488 121.223 -0.012 0.000 2.093 374 L HA -0.157 4.184 4.340 0.001 0.000 0.208 374 L C 2.692 179.476 176.870 -0.144 0.000 1.085 374 L CA 1.110 55.881 54.840 -0.116 0.000 0.755 374 L CB -0.364 41.478 42.059 -0.361 0.000 0.904 374 L HN 0.175 nan 8.230 nan 0.000 0.435 375 R N -0.295 120.115 120.500 -0.150 0.000 2.189 375 R HA -0.035 4.306 4.340 0.001 0.000 0.218 375 R C 1.901 177.865 176.300 -0.561 0.000 1.074 375 R CA 0.914 56.880 56.100 -0.224 0.000 0.991 375 R CB -0.314 29.956 30.300 -0.050 0.000 0.883 375 R HN 0.337 nan 8.270 nan 0.000 0.457 376 G N 0.156 108.645 108.800 -0.518 0.000 3.233 376 G HA2 -0.080 3.880 3.960 0.001 0.000 0.227 376 G HA3 -0.080 3.880 3.960 0.001 0.000 0.227 376 G C 0.018 174.677 174.900 -0.402 0.000 1.175 376 G CA -0.319 44.239 45.100 -0.905 0.000 0.781 376 G HN 0.183 nan 8.290 nan 0.000 0.542 377 Q N 0.852 120.549 119.800 -0.172 0.000 2.245 377 Q HA 0.512 4.852 4.340 0.001 0.000 0.256 377 Q C -0.099 175.818 176.000 -0.139 0.000 0.942 377 Q CA -0.727 55.016 55.803 -0.101 0.000 0.896 377 Q CB 2.131 30.963 28.738 0.158 0.000 1.272 377 Q HN 0.102 nan 8.270 nan 0.000 0.442 378 V N 1.115 120.771 119.914 -0.431 0.000 2.997 378 V HA 0.320 4.441 4.120 0.001 0.000 0.311 378 V C 0.853 176.506 176.094 -0.736 0.000 1.066 378 V CA -0.445 61.533 62.300 -0.536 0.000 1.039 378 V CB 1.361 32.696 31.823 -0.814 0.000 1.081 378 V HN 0.933 nan 8.190 nan 0.000 0.467 379 K N 1.695 121.551 120.400 -0.906 0.000 2.160 379 K HA -0.127 4.194 4.320 0.001 0.000 0.206 379 K C 2.181 178.344 176.600 -0.727 0.000 1.047 379 K CA 1.731 57.283 56.287 -1.225 0.000 0.930 379 K CB -0.556 31.488 32.500 -0.761 0.000 0.720 379 K HN 0.909 nan 8.250 nan 0.000 0.450 380 A N 0.253 122.753 122.820 -0.534 0.000 2.076 380 A HA -0.066 4.254 4.320 0.001 0.000 0.220 380 A C 1.775 179.217 177.584 -0.237 0.000 1.160 380 A CA 1.897 53.775 52.037 -0.265 0.000 0.653 380 A CB -0.459 18.466 19.000 -0.124 0.000 0.801 380 A HN 0.510 nan 8.150 nan 0.000 0.455 381 G N -2.767 105.732 108.800 -0.502 0.000 2.278 381 G HA2 -0.222 3.739 3.960 0.001 0.000 0.210 381 G HA3 -0.222 3.739 3.960 0.001 0.000 0.210 381 G C 0.258 174.735 174.900 -0.705 0.000 1.000 381 G CA 0.221 45.065 45.100 -0.427 0.000 0.635 381 G HN 1.221 nan 8.290 nan 0.000 0.495 382 Y N 0.892 120.592 120.300 -1.000 0.000 2.295 382 Y HA 0.723 5.274 4.550 0.001 0.000 0.331 382 Y C 0.799 176.321 175.900 -0.629 0.000 1.311 382 Y CA -1.217 56.216 58.100 -1.110 0.000 1.430 382 Y CB 0.482 38.156 38.460 -1.311 0.000 1.339 382 Y HN 0.444 nan 8.280 nan 0.000 0.552 383 G N 0.838 109.420 108.800 -0.363 0.000 2.441 383 G HA2 0.529 4.490 3.960 0.001 0.000 0.334 383 G HA3 0.529 4.490 3.960 0.001 0.000 0.334 383 G C -1.412 173.394 174.900 -0.156 0.000 1.161 383 G CA -1.305 43.381 45.100 -0.691 0.000 0.935 383 G HN 0.798 nan 8.290 nan 0.000 0.488 384 L N 1.516 122.713 121.223 -0.044 0.000 2.369 384 L HA 0.099 4.440 4.340 0.001 0.000 0.279 384 L C 1.658 178.922 176.870 0.657 0.000 1.108 384 L CA -0.565 54.457 54.840 0.304 0.000 0.852 384 L CB 0.793 42.976 42.059 0.207 0.000 1.169 384 L HN 0.807 nan 8.230 nan 0.000 0.452 385 H N 3.442 122.908 119.070 0.659 0.000 2.353 385 H HA -0.086 4.470 4.556 0.001 0.000 0.298 385 H C -0.138 175.468 175.328 0.463 0.000 1.103 385 H CA 1.614 57.925 56.048 0.438 0.000 1.293 385 H CB 0.248 30.120 29.762 0.184 0.000 1.372 385 H HN 0.383 nan 8.280 nan 0.000 0.501 386 L N 0.694 122.185 121.223 0.445 0.000 2.438 386 L HA 0.388 4.729 4.340 0.001 0.000 0.270 386 L C -1.651 175.468 176.870 0.414 0.000 0.972 386 L CA -0.828 54.164 54.840 0.254 0.000 0.831 386 L CB 1.211 43.323 42.059 0.089 0.000 1.273 386 L HN 0.193 nan 8.230 nan 0.000 0.405 387 F N 1.297 121.280 119.950 0.055 0.000 2.711 387 F HA 0.619 5.146 4.527 0.001 0.000 0.313 387 F C -1.477 174.004 175.800 -0.532 0.000 1.141 387 F CA -0.938 56.986 58.000 -0.126 0.000 0.941 387 F CB 1.228 40.421 39.000 0.323 0.000 1.349 387 F HN 0.419 nan 8.300 nan 0.000 0.464 388 D N 3.056 122.664 120.400 -1.319 0.000 2.329 388 D HA 0.340 4.981 4.640 0.001 0.000 0.232 388 D C -1.779 174.199 176.300 -0.537 0.000 1.088 388 D CA -2.509 50.798 54.000 -1.154 0.000 0.835 388 D CB 2.265 42.073 40.800 -1.652 0.000 1.078 388 D HN 0.339 nan 8.370 nan 0.000 0.495 389 P HA -0.127 nan 4.420 nan 0.000 0.219 389 P C 0.525 177.901 177.300 0.127 0.000 1.146 389 P CA 0.726 63.934 63.100 0.179 0.000 0.808 389 P CB 0.604 32.348 31.700 0.072 0.000 0.779 390 D N -1.170 119.212 120.400 -0.030 0.000 2.263 390 D HA -0.137 4.504 4.640 0.001 0.000 0.208 390 D C 1.818 178.190 176.300 0.121 0.000 0.971 390 D CA 0.713 54.741 54.000 0.047 0.000 0.867 390 D CB -0.634 40.188 40.800 0.037 0.000 0.929 390 D HN 0.224 nan 8.370 nan 0.000 0.492 391 W N 0.218 121.441 121.300 -0.128 0.000 2.358 391 W HA -0.076 4.584 4.660 0.001 0.000 0.303 391 W C 1.500 177.754 176.519 -0.441 0.000 1.208 391 W CA 0.427 57.536 57.345 -0.394 0.000 1.274 391 W CB -1.149 27.842 29.460 -0.780 0.000 1.138 391 W HN 0.019 nan 8.180 nan 0.000 0.515 392 F N -0.389 119.774 119.950 0.355 0.000 2.664 392 F HA 0.138 4.665 4.527 0.001 0.000 0.303 392 F C 0.671 176.561 175.800 0.151 0.000 1.092 392 F CA -0.549 57.582 58.000 0.219 0.000 1.305 392 F CB -0.581 38.535 39.000 0.193 0.000 1.054 392 F HN -0.348 nan 8.300 nan 0.000 0.565 393 D N 2.701 123.250 120.400 0.248 0.000 2.338 393 D HA 0.134 4.774 4.640 0.001 0.000 0.255 393 D C -1.757 174.625 176.300 0.137 0.000 1.237 393 D CA -1.032 53.071 54.000 0.173 0.000 0.883 393 D CB 0.896 41.776 40.800 0.132 0.000 1.087 393 D HN 0.072 nan 8.370 nan 0.000 0.485 418 H N 3.373 122.547 119.070 0.174 0.000 2.544 418 H HA 0.833 5.390 4.556 0.001 0.000 0.342 418 H C -0.003 175.408 175.328 0.138 0.000 1.185 418 H CA -0.648 55.480 56.048 0.134 0.000 1.264 418 H CB 2.150 31.988 29.762 0.127 0.000 1.607 418 H HN 0.583 nan 8.280 nan 0.000 0.550 419 G N 0.102 109.071 108.800 0.281 0.000 2.543 419 G HA2 0.213 4.173 3.960 0.001 0.000 0.290 419 G HA3 0.213 4.173 3.960 0.001 0.000 0.290 419 G C 0.617 175.580 174.900 0.105 0.000 1.310 419 G CA -0.523 44.684 45.100 0.179 0.000 1.025 419 G HN 0.628 nan 8.290 nan 0.000 0.502 420 I N -0.288 120.270 120.570 -0.019 0.000 2.567 420 I HA -0.109 4.061 4.170 0.001 0.000 0.257 420 I C 2.696 178.736 176.117 -0.128 0.000 1.184 420 I CA 1.508 62.695 61.300 -0.188 0.000 1.451 420 I CB -0.179 37.792 38.000 -0.049 0.000 1.089 420 I HN 0.687 nan 8.210 nan 0.000 0.441 421 K N -0.808 119.561 120.400 -0.051 0.000 2.211 421 K HA -0.089 4.232 4.320 0.001 0.000 0.203 421 K C 1.094 177.624 176.600 -0.116 0.000 1.050 421 K CA 1.746 57.997 56.287 -0.060 0.000 0.945 421 K CB -0.314 32.169 32.500 -0.028 0.000 0.732 421 K HN 0.256 nan 8.250 nan 0.000 0.451 422 D N 0.769 121.076 120.400 -0.155 0.000 2.363 422 D HA 0.032 4.673 4.640 0.001 0.000 0.214 422 D C -0.363 175.650 176.300 -0.478 0.000 1.093 422 D CA 0.235 54.035 54.000 -0.333 0.000 0.837 422 D CB 0.556 41.093 40.800 -0.439 0.000 0.948 422 D HN 0.141 nan 8.370 nan 0.000 0.507 423 T N 1.142 115.516 114.554 -0.300 0.000 2.832 423 T HA 0.179 4.530 4.350 0.001 0.000 0.296 423 T C 0.354 174.931 174.700 -0.205 0.000 0.968 423 T CA -0.155 61.786 62.100 -0.265 0.000 1.107 423 T CB 1.138 69.646 68.868 -0.600 0.000 0.916 423 T HN 0.060 nan 8.240 nan 0.000 0.517 424 C N 3.259 122.483 119.300 -0.126 0.000 2.388 424 C HA 0.282 4.742 4.460 0.001 0.000 0.362 424 C C 2.209 177.233 174.990 0.058 0.000 1.266 424 C CA -0.622 58.359 59.018 -0.060 0.000 2.028 424 C CB 0.593 28.297 27.740 -0.059 0.000 2.440 424 C HN 1.104 nan 8.230 nan 0.000 0.547 425 S N 1.135 116.884 115.700 0.081 0.000 2.474 425 S HA -0.155 4.315 4.470 0.001 0.000 0.235 425 S C 1.162 175.824 174.600 0.102 0.000 0.997 425 S CA 1.676 59.968 58.200 0.152 0.000 0.949 425 S CB -0.190 63.080 63.200 0.116 0.000 0.766 425 S HN 0.925 nan 8.310 nan 0.000 0.517 426 D N 0.732 121.193 120.400 0.102 0.000 2.380 426 D HA -0.024 4.616 4.640 0.001 0.000 0.212 426 D C 0.839 177.164 176.300 0.042 0.000 1.021 426 D CA 0.353 54.362 54.000 0.015 0.000 0.884 426 D CB -0.662 40.305 40.800 0.278 0.000 1.001 426 D HN 0.091 nan 8.370 nan 0.000 0.506 427 D N 1.742 122.317 120.400 0.291 0.000 2.303 427 D HA -0.278 4.362 4.640 0.001 0.000 0.190 427 D C 2.007 178.545 176.300 0.396 0.000 1.011 427 D CA 2.373 56.649 54.000 0.460 0.000 0.860 427 D CB -0.952 40.047 40.800 0.332 0.000 0.961 427 D HN 0.682 nan 8.370 nan 0.000 0.453 428 H N -0.378 118.742 119.070 0.083 0.000 2.421 428 H HA 0.057 4.614 4.556 0.001 0.000 0.298 428 H C 2.318 177.751 175.328 0.175 0.000 1.087 428 H CA 0.731 56.824 56.048 0.075 0.000 1.330 428 H CB -0.734 28.942 29.762 -0.144 0.000 1.388 428 H HN 0.163 nan 8.280 nan 0.000 0.526 429 L N -0.654 120.328 121.223 -0.402 0.000 2.141 429 L HA -0.122 4.218 4.340 0.001 0.000 0.209 429 L C 1.824 178.662 176.870 -0.053 0.000 1.094 429 L CA 1.082 55.777 54.840 -0.241 0.000 0.763 429 L CB -0.496 41.312 42.059 -0.419 0.000 0.908 429 L HN 0.376 nan 8.230 nan 0.000 0.437 430 W N -0.508 120.882 121.300 0.149 0.000 2.392 430 W HA -0.203 4.458 4.660 0.001 0.000 0.279 430 W C 2.260 178.861 176.519 0.137 0.000 1.225 430 W CA -0.023 57.448 57.345 0.209 0.000 1.233 430 W CB -0.242 29.413 29.460 0.323 0.000 1.122 430 W HN 0.094 nan 8.180 nan 0.000 0.561 431 L N 0.290 121.741 121.223 0.381 0.000 2.201 431 L HA -0.179 4.161 4.340 0.001 0.000 0.212 431 L C 2.011 178.990 176.870 0.183 0.000 1.105 431 L CA 1.505 56.509 54.840 0.273 0.000 0.775 431 L CB -0.805 41.444 42.059 0.317 0.000 0.913 431 L HN -0.090 nan 8.230 nan 0.000 0.440 432 I N 0.488 121.132 120.570 0.123 0.000 2.113 432 I HA -0.184 3.987 4.170 0.001 0.000 0.238 432 I C -0.003 176.131 176.117 0.028 0.000 1.070 432 I CA 1.553 62.903 61.300 0.083 0.000 1.332 432 I CB -2.800 35.202 38.000 0.004 0.000 1.044 432 I HN 0.203 nan 8.210 nan 0.000 0.402 433 P HA -0.089 nan 4.420 nan 0.000 0.218 433 P C 1.788 179.050 177.300 -0.064 0.000 1.148 433 P CA 1.562 64.495 63.100 -0.279 0.000 0.822 433 P CB -0.105 31.078 31.700 -0.862 0.000 0.784 434 T N -0.691 113.862 114.554 -0.003 0.000 2.777 434 T HA -0.078 4.273 4.350 0.001 0.000 0.266 434 T C 1.732 176.503 174.700 0.119 0.000 1.040 434 T CA 1.045 63.160 62.100 0.026 0.000 1.141 434 T CB -0.790 68.103 68.868 0.042 0.000 0.868 434 T HN 0.071 nan 8.240 nan 0.000 0.444 435 I N 0.615 121.302 120.570 0.195 0.000 2.252 435 I HA -0.169 4.002 4.170 0.001 0.000 0.245 435 I C 2.636 178.995 176.117 0.403 0.000 1.102 435 I CA 0.751 62.242 61.300 0.318 0.000 1.385 435 I CB -0.428 37.817 38.000 0.407 0.000 1.064 435 I HN 0.325 nan 8.210 nan 0.000 0.414 436 C N 0.714 120.245 119.300 0.386 0.000 2.413 436 C HA -0.193 4.267 4.460 0.001 0.000 0.276 436 C C 2.861 177.973 174.990 0.203 0.000 1.248 436 C CA 1.094 60.384 59.018 0.452 0.000 1.742 436 C CB -0.854 27.090 27.740 0.341 0.000 2.017 436 C HN 0.427 nan 8.230 nan 0.000 0.481 437 K N 0.199 120.661 120.400 0.104 0.000 2.057 437 K HA -0.183 4.137 4.320 0.001 0.000 0.207 437 K C 1.930 178.562 176.600 0.053 0.000 1.049 437 K CA 1.515 57.819 56.287 0.027 0.000 0.931 437 K CB -0.722 31.791 32.500 0.022 0.000 0.714 437 K HN 0.589 nan 8.250 nan 0.000 0.440 438 Y N 0.229 120.536 120.300 0.011 0.000 2.128 438 Y HA -0.206 4.345 4.550 0.001 0.000 0.284 438 Y C 1.684 177.577 175.900 -0.010 0.000 1.154 438 Y CA 1.805 59.886 58.100 -0.032 0.000 1.149 438 Y CB -0.341 38.049 38.460 -0.117 0.000 0.976 438 Y HN -0.095 nan 8.280 nan 0.000 0.505 439 V N 0.442 120.320 119.914 -0.061 0.000 2.453 439 V HA -0.326 3.794 4.120 0.001 0.000 0.247 439 V C 2.393 178.506 176.094 0.033 0.000 1.048 439 V CA 2.096 64.369 62.300 -0.044 0.000 1.049 439 V CB -0.640 31.346 31.823 0.272 0.000 0.672 439 V HN 0.464 nan 8.190 nan 0.000 0.457 440 M N -0.293 119.293 119.600 -0.023 0.000 2.117 440 M HA -0.205 4.275 4.480 0.001 0.000 0.262 440 M C 2.299 178.681 176.300 0.137 0.000 1.065 440 M CA 2.032 57.258 55.300 -0.125 0.000 1.114 440 M CB -0.378 31.980 32.600 -0.404 0.000 1.361 440 M HN 0.299 nan 8.290 nan 0.000 0.408 441 E N 0.240 120.479 120.200 0.064 0.000 2.047 441 E HA -0.141 4.210 4.350 0.001 0.000 0.191 441 E C 1.927 178.599 176.600 0.120 0.000 0.987 441 E CA 2.234 58.758 56.400 0.208 0.000 0.799 441 E CB -0.143 29.605 29.700 0.080 0.000 0.752 441 E HN 0.544 nan 8.360 nan 0.000 0.449 442 T N -4.082 110.357 114.554 -0.192 0.000 3.044 442 T HA 0.230 4.581 4.350 0.001 0.000 0.255 442 T C 1.619 176.205 174.700 -0.190 0.000 1.073 442 T CA 0.701 62.643 62.100 -0.264 0.000 1.125 442 T CB 0.044 68.590 68.868 -0.538 0.000 0.908 442 T HN 0.358 nan 8.240 nan 0.000 0.480 443 G N 1.527 110.257 108.800 -0.117 0.000 2.143 443 G HA2 -0.266 3.694 3.960 0.001 0.000 0.249 443 G HA3 -0.266 3.694 3.960 0.001 0.000 0.249 443 G C -0.003 174.899 174.900 0.003 0.000 0.981 443 G CA 0.247 45.333 45.100 -0.022 0.000 0.665 443 G HN 0.712 nan 8.290 nan 0.000 0.528 444 E N 1.597 121.755 120.200 -0.070 0.000 2.148 444 E HA 0.284 4.635 4.350 0.001 0.000 0.308 444 E C 2.036 178.677 176.600 0.068 0.000 1.278 444 E CA 0.482 56.876 56.400 -0.009 0.000 1.368 444 E CB -0.454 29.218 29.700 -0.047 0.000 1.229 444 E HN 0.508 nan 8.360 nan 0.000 0.494 445 T N -1.834 112.811 114.554 0.152 0.000 2.929 445 T HA -0.202 4.148 4.350 0.001 0.000 0.271 445 T C 1.844 176.677 174.700 0.221 0.000 1.085 445 T CA 1.298 63.559 62.100 0.268 0.000 1.125 445 T CB -0.203 68.876 68.868 0.351 0.000 0.874 445 T HN 0.278 nan 8.240 nan 0.000 0.494 446 S N 0.538 116.328 115.700 0.151 0.000 2.507 446 S HA -0.007 4.463 4.470 0.001 0.000 0.235 446 S C 1.579 176.261 174.600 0.137 0.000 0.988 446 S CA 0.126 58.405 58.200 0.131 0.000 0.944 446 S CB -1.037 62.222 63.200 0.098 0.000 0.762 446 S HN 0.448 nan 8.310 nan 0.000 0.526 447 F N 2.318 122.226 119.950 -0.070 0.000 2.161 447 F HA 0.031 4.559 4.527 0.001 0.000 0.300 447 F C 1.410 177.154 175.800 -0.093 0.000 1.089 447 F CA 0.468 58.398 58.000 -0.117 0.000 1.282 447 F CB -0.634 38.261 39.000 -0.174 0.000 1.010 447 F HN 0.177 nan 8.300 nan 0.000 0.485 448 F N 0.600 120.611 119.950 0.100 0.000 2.333 448 F HA -0.178 4.350 4.527 0.001 0.000 0.300 448 F C 2.182 177.964 175.800 -0.030 0.000 1.083 448 F CA 1.346 59.364 58.000 0.030 0.000 1.395 448 F CB -0.818 38.252 39.000 0.116 0.000 1.056 448 F HN 0.034 nan 8.300 nan 0.000 0.529 449 D N -0.576 119.888 120.400 0.106 0.000 2.350 449 D HA -0.052 4.588 4.640 0.001 0.000 0.213 449 D C 0.942 177.234 176.300 -0.013 0.000 1.031 449 D CA 0.139 54.169 54.000 0.050 0.000 0.861 449 D CB -0.196 40.630 40.800 0.044 0.000 0.926 449 D HN 0.328 nan 8.370 nan 0.000 0.520 450 Q N 0.910 120.649 119.800 -0.101 0.000 2.311 450 Q HA 0.039 4.380 4.340 0.001 0.000 0.272 450 Q C -0.278 175.646 176.000 -0.127 0.000 1.012 450 Q CA -0.058 55.670 55.803 -0.126 0.000 0.891 450 Q CB 0.566 29.180 28.738 -0.207 0.000 1.201 450 Q HN -0.144 nan 8.270 nan 0.000 0.391 451 M N 5.277 124.836 119.600 -0.068 0.000 2.120 451 M HA 0.347 4.828 4.480 0.001 0.000 0.354 451 M C -0.589 175.662 176.300 -0.081 0.000 1.287 451 M CA 0.111 55.380 55.300 -0.051 0.000 1.103 451 M CB 0.080 32.671 32.600 -0.015 0.000 1.623 451 M HN 0.535 nan 8.290 nan 0.000 0.471 452 I N 6.385 126.888 120.570 -0.113 0.000 2.498 452 I HA 0.385 4.555 4.170 0.001 0.000 0.290 452 I C -2.096 173.973 176.117 -0.081 0.000 1.032 452 I CA -1.951 59.257 61.300 -0.153 0.000 1.073 452 I CB 2.748 40.522 38.000 -0.376 0.000 1.251 452 I HN 0.375 nan 8.210 nan 0.000 0.426 453 P HA 0.081 nan 4.420 nan 0.000 0.275 453 P C -1.262 175.988 177.300 -0.084 0.000 1.228 453 P CA 0.022 63.094 63.100 -0.047 0.000 0.786 453 P CB 0.569 32.278 31.700 0.015 0.000 0.927 454 Y N 0.691 120.983 120.300 -0.012 0.000 2.301 454 Y HA 0.248 4.799 4.550 0.001 0.000 0.328 454 Y C 2.063 177.848 175.900 -0.193 0.000 1.242 454 Y CA 0.100 58.134 58.100 -0.110 0.000 1.323 454 Y CB 0.258 38.601 38.460 -0.194 0.000 1.266 454 Y HN 0.466 nan 8.280 nan 0.000 0.527 455 A N 0.984 123.700 122.820 -0.175 0.000 2.019 455 A HA -0.173 4.147 4.320 0.001 0.000 0.219 455 A C 1.267 178.805 177.584 -0.076 0.000 1.164 455 A CA 1.873 53.668 52.037 -0.403 0.000 0.644 455 A CB -0.590 18.008 19.000 -0.669 0.000 0.805 455 A HN 0.796 nan 8.150 nan 0.000 0.449 456 D N -1.769 118.589 120.400 -0.069 0.000 2.525 456 D HA 0.401 5.042 4.640 0.001 0.000 0.229 456 D C 0.600 176.895 176.300 -0.008 0.000 1.202 456 D CA 0.473 54.450 54.000 -0.037 0.000 0.828 456 D CB -0.599 40.137 40.800 -0.107 0.000 1.008 456 D HN 0.906 nan 8.370 nan 0.000 0.493 457 G N -0.947 107.875 108.800 0.038 0.000 2.697 457 G HA2 0.451 4.412 3.960 0.001 0.000 0.686 457 G HA3 0.451 4.412 3.960 0.001 0.000 0.686 457 G C 0.207 175.154 174.900 0.079 0.000 1.179 457 G CA -0.222 44.908 45.100 0.049 0.000 0.765 457 G HN 1.197 nan 8.290 nan 0.000 0.649 458 G N 0.255 109.105 108.800 0.084 0.000 2.757 458 G HA2 0.554 4.514 3.960 0.001 0.000 0.638 458 G HA3 0.554 4.514 3.960 0.001 0.000 0.638 458 G C -0.227 174.762 174.900 0.147 0.000 1.344 458 G CA 0.764 45.931 45.100 0.111 0.000 0.855 458 G HN 2.605 nan 8.290 nan 0.000 0.537 459 E N -1.218 119.057 120.200 0.125 0.000 2.458 459 E HA 0.870 5.221 4.350 0.001 0.000 0.278 459 E C -0.328 176.267 176.600 -0.008 0.000 1.004 459 E CA -0.750 55.652 56.400 0.002 0.000 0.823 459 E CB 1.778 31.480 29.700 0.003 0.000 1.396 459 E HN 2.385 nan 8.360 nan 0.000 0.463 460 A N 0.525 123.282 122.820 -0.105 0.000 2.597 460 A HA 0.575 4.896 4.320 0.001 0.000 0.292 460 A C -0.677 176.957 177.584 0.083 0.000 1.057 460 A CA -0.367 51.663 52.037 -0.013 0.000 0.674 460 A CB 1.097 20.065 19.000 -0.054 0.000 1.278 460 A HN 0.936 nan 8.150 nan 0.000 0.416 461 S N 0.014 115.783 115.700 0.115 0.000 2.600 461 S HA 0.365 4.836 4.470 0.001 0.000 0.265 461 S C 1.231 175.923 174.600 0.154 0.000 1.325 461 S CA 0.094 58.355 58.200 0.103 0.000 1.002 461 S CB 0.808 64.091 63.200 0.139 0.000 0.921 461 S HN 1.402 nan 8.310 nan 0.000 0.554 462 V N 1.249 121.158 119.914 -0.009 0.000 2.324 462 V HA -0.195 3.926 4.120 0.001 0.000 0.250 462 V C 2.015 178.253 176.094 0.239 0.000 1.060 462 V CA 2.370 64.631 62.300 -0.065 0.000 1.042 462 V CB -1.455 30.137 31.823 -0.384 0.000 0.650 462 V HN 0.930 nan 8.190 nan 0.000 0.450 463 Y N 1.186 121.613 120.300 0.213 0.000 2.128 463 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 463 Y C 2.637 178.675 175.900 0.229 0.000 1.154 463 Y CA 2.051 60.307 58.100 0.260 0.000 1.149 463 Y CB -0.107 38.458 38.460 0.175 0.000 0.976 463 Y HN 0.246 nan 8.280 nan 0.000 0.505 464 E N -0.928 119.423 120.200 0.251 0.000 2.150 464 E HA -0.195 4.155 4.350 0.001 0.000 0.193 464 E C 2.193 178.853 176.600 0.100 0.000 0.985 464 E CA 1.099 57.579 56.400 0.133 0.000 0.814 464 E CB -0.512 29.289 29.700 0.169 0.000 0.752 464 E HN 0.688 nan 8.360 nan 0.000 0.466 465 H N 0.121 119.218 119.070 0.046 0.000 2.353 465 H HA -0.032 4.525 4.556 0.001 0.000 0.300 465 H C 2.224 177.567 175.328 0.026 0.000 1.090 465 H CA 1.406 57.492 56.048 0.064 0.000 1.327 465 H CB 0.064 29.807 29.762 -0.032 0.000 1.383 465 H HN 0.164 nan 8.280 nan 0.000 0.508 466 M N 0.464 120.129 119.600 0.108 0.000 2.117 466 M HA -0.173 4.307 4.480 0.001 0.000 0.262 466 M C 2.294 178.396 176.300 -0.330 0.000 1.065 466 M CA 1.580 56.847 55.300 -0.054 0.000 1.114 466 M CB -0.153 32.454 32.600 0.011 0.000 1.361 466 M HN 0.090 nan 8.290 nan 0.000 0.408 467 K N 0.419 120.564 120.400 -0.424 0.000 2.097 467 K HA -0.057 4.263 4.320 0.001 0.000 0.206 467 K C 2.127 178.627 176.600 -0.167 0.000 1.049 467 K CA 1.330 57.332 56.287 -0.475 0.000 0.933 467 K CB -0.287 32.043 32.500 -0.282 0.000 0.717 467 K HN 0.305 nan 8.250 nan 0.000 0.442 468 A N 1.504 124.279 122.820 -0.074 0.000 1.933 468 A HA -0.121 4.200 4.320 0.001 0.000 0.218 468 A C 2.343 179.915 177.584 -0.020 0.000 1.175 468 A CA 1.824 53.839 52.037 -0.037 0.000 0.628 468 A CB -0.593 18.370 19.000 -0.061 0.000 0.814 468 A HN 0.331 nan 8.150 nan 0.000 0.444 469 A N -0.207 122.604 122.820 -0.015 0.000 1.873 469 A HA 0.024 4.345 4.320 0.001 0.000 0.215 469 A C 2.147 179.824 177.584 0.154 0.000 1.186 469 A CA 1.370 53.452 52.037 0.076 0.000 0.616 469 A CB -0.589 18.517 19.000 0.175 0.000 0.823 469 A HN 0.454 nan 8.150 nan 0.000 0.442 470 L N -0.377 120.857 121.223 0.018 0.000 2.083 470 L HA -0.191 4.149 4.340 0.001 0.000 0.209 470 L C 1.950 178.957 176.870 0.230 0.000 1.083 470 L CA 1.420 56.317 54.840 0.096 0.000 0.752 470 L CB -0.675 41.249 42.059 -0.226 0.000 0.899 470 L HN 0.296 nan 8.230 nan 0.000 0.433 471 D N -0.388 120.112 120.400 0.167 0.000 2.178 471 D HA -0.191 4.450 4.640 0.001 0.000 0.202 471 D C 1.877 178.266 176.300 0.149 0.000 0.974 471 D CA 0.974 55.079 54.000 0.175 0.000 0.841 471 D CB -0.190 40.685 40.800 0.125 0.000 0.953 471 D HN 0.203 nan 8.370 nan 0.000 0.478 472 F N 1.752 121.704 119.950 0.003 0.000 2.095 472 F HA -0.212 4.316 4.527 0.001 0.000 0.298 472 F C 2.275 178.116 175.800 0.068 0.000 1.104 472 F CA 1.330 59.334 58.000 0.006 0.000 1.232 472 F CB -0.110 38.752 39.000 -0.231 0.000 0.987 472 F HN -0.180 nan 8.300 nan 0.000 0.475 473 S N 0.058 115.830 115.700 0.121 0.000 2.474 473 S HA -0.028 4.442 4.470 0.001 0.000 0.235 473 S C 2.064 176.567 174.600 -0.162 0.000 0.997 473 S CA 0.694 58.806 58.200 -0.147 0.000 0.949 473 S CB -0.499 62.338 63.200 -0.604 0.000 0.766 473 S HN 0.527 nan 8.310 nan 0.000 0.517 474 A N 1.122 123.954 122.820 0.020 0.000 1.975 474 A HA 0.056 4.376 4.320 0.001 0.000 0.215 474 A C 1.985 179.574 177.584 0.009 0.000 1.170 474 A CA 0.851 52.975 52.037 0.145 0.000 0.656 474 A CB -0.266 18.861 19.000 0.212 0.000 0.821 474 A HN 0.516 nan 8.150 nan 0.000 0.449 475 E N -1.067 119.097 120.200 -0.061 0.000 2.046 475 E HA -0.121 4.229 4.350 0.001 0.000 0.190 475 E C -0.272 176.144 176.600 -0.308 0.000 0.982 475 E CA 0.536 56.829 56.400 -0.178 0.000 0.800 475 E CB -0.110 29.474 29.700 -0.193 0.000 0.756 475 E HN 0.604 nan 8.360 nan 0.000 0.449 476 Y N 1.676 121.736 120.300 -0.401 0.000 2.623 476 Y HA 0.157 4.707 4.550 0.001 0.000 0.341 476 Y C 0.004 175.789 175.900 -0.191 0.000 1.292 476 Y CA -0.527 57.364 58.100 -0.348 0.000 1.840 476 Y CB 0.164 38.295 38.460 -0.548 0.000 1.865 476 Y HN -0.066 nan 8.280 nan 0.000 0.440 477 V N -1.561 118.305 119.914 -0.080 0.000 3.126 477 V HA 1.016 5.136 4.120 0.001 0.000 0.314 477 V C 0.401 176.456 176.094 -0.065 0.000 1.138 477 V CA -1.021 61.254 62.300 -0.043 0.000 1.034 477 V CB 1.424 33.234 31.823 -0.021 0.000 1.075 477 V HN 0.439 nan 8.190 nan 0.000 0.442 478 G N 0.297 109.063 108.800 -0.057 0.000 2.543 478 G HA2 0.407 4.368 3.960 0.001 0.000 0.290 478 G HA3 0.407 4.368 3.960 0.001 0.000 0.290 478 G C 0.445 175.299 174.900 -0.077 0.000 1.310 478 G CA 0.045 45.104 45.100 -0.069 0.000 1.025 478 G HN 1.132 nan 8.290 nan 0.000 0.502 479 Q N -1.813 117.939 119.800 -0.080 0.000 2.364 479 Q HA -0.092 4.249 4.340 0.001 0.000 0.209 479 Q C 1.546 177.493 176.000 -0.089 0.000 0.977 479 Q CA 1.771 57.530 55.803 -0.073 0.000 0.885 479 Q CB -0.363 28.338 28.738 -0.062 0.000 0.941 479 Q HN 0.489 nan 8.270 nan 0.000 0.464 480 T N -4.408 110.055 114.554 -0.151 0.000 3.069 480 T HA 0.455 4.806 4.350 0.001 0.000 0.252 480 T C 1.181 175.811 174.700 -0.117 0.000 1.053 480 T CA 0.121 62.078 62.100 -0.238 0.000 0.964 480 T CB 0.782 69.223 68.868 -0.711 0.000 1.005 480 T HN 0.546 nan 8.240 nan 0.000 0.532 481 G N 1.568 110.330 108.800 -0.063 0.000 2.131 481 G HA2 -0.145 3.816 3.960 0.001 0.000 0.223 481 G HA3 -0.145 3.816 3.960 0.001 0.000 0.223 481 G C -0.174 174.731 174.900 0.007 0.000 0.990 481 G CA -0.204 44.894 45.100 -0.003 0.000 0.671 481 G HN 0.519 nan 8.290 nan 0.000 0.521 482 I N 0.875 121.425 120.570 -0.033 0.000 2.392 482 I HA 0.357 4.528 4.170 0.001 0.000 0.295 482 I C 1.348 177.453 176.117 -0.020 0.000 0.985 482 I CA -1.308 59.974 61.300 -0.030 0.000 1.221 482 I CB 0.940 38.904 38.000 -0.060 0.000 1.366 482 I HN 0.115 nan 8.210 nan 0.000 0.467 483 C N 5.565 124.862 119.300 -0.006 0.000 2.642 483 C HA 0.055 4.516 4.460 0.001 0.000 0.420 483 C C 1.187 176.181 174.990 0.006 0.000 1.349 483 C CA -0.555 58.468 59.018 0.008 0.000 1.821 483 C CB -0.838 26.910 27.740 0.013 0.000 2.637 483 C HN 0.631 nan 8.230 nan 0.000 0.605 484 K N 2.011 122.428 120.400 0.028 0.000 2.355 484 K HA 0.220 4.540 4.320 0.001 0.000 0.270 484 K C 1.318 177.943 176.600 0.042 0.000 1.003 484 K CA 0.307 56.615 56.287 0.035 0.000 0.957 484 K CB 0.569 33.110 32.500 0.069 0.000 0.939 484 K HN 0.934 nan 8.250 nan 0.000 0.482 485 G N 2.739 111.555 108.800 0.027 0.000 2.551 485 G HA2 -0.029 3.931 3.960 0.001 0.000 0.216 485 G HA3 -0.029 3.931 3.960 0.001 0.000 0.216 485 G C 0.651 175.564 174.900 0.022 0.000 1.137 485 G CA 0.097 45.214 45.100 0.028 0.000 0.798 485 G HN 0.662 nan 8.290 nan 0.000 0.536 486 L N -1.906 119.327 121.223 0.017 0.000 7.187 486 L HA -0.361 3.979 4.340 0.001 0.000 0.053 486 L C 2.120 178.967 176.870 -0.039 0.000 1.569 486 L CA 1.150 55.986 54.840 -0.007 0.000 1.592 486 L CB -0.892 41.158 42.059 -0.015 0.000 2.792 486 L HN 0.299 nan 8.230 nan 0.000 1.114 487 R N 1.058 121.510 120.500 -0.080 0.000 2.091 487 R HA 0.151 4.492 4.340 0.001 0.000 0.238 487 R C 0.146 176.386 176.300 -0.099 0.000 1.136 487 R CA 2.059 58.091 56.100 -0.113 0.000 0.959 487 R CB -0.179 30.008 30.300 -0.190 0.000 0.856 487 R HN 0.790 nan 8.270 nan 0.000 0.437 488 A N -0.715 122.056 122.820 -0.082 0.000 2.569 488 A HA 0.398 4.718 4.320 0.001 0.000 0.292 488 A C -1.523 176.067 177.584 0.009 0.000 1.032 488 A CA -0.439 51.569 52.037 -0.049 0.000 0.669 488 A CB 0.503 19.447 19.000 -0.093 0.000 1.290 488 A HN 0.326 nan 8.150 nan 0.000 0.422 489 D N -0.685 119.755 120.400 0.067 0.000 2.509 489 D HA 0.293 4.933 4.640 0.001 0.000 0.275 489 D C 1.148 177.591 176.300 0.238 0.000 1.189 489 D CA 0.057 54.156 54.000 0.164 0.000 1.098 489 D CB -0.521 40.388 40.800 0.181 0.000 1.177 489 D HN 0.669 nan 8.370 nan 0.000 0.599 490 W N 0.525 121.970 121.300 0.242 0.000 2.308 490 W HA -0.124 4.536 4.660 0.001 0.000 0.301 490 W C 0.528 177.124 176.519 0.128 0.000 1.220 490 W CA 1.428 58.957 57.345 0.306 0.000 1.240 490 W CB -0.142 29.617 29.460 0.498 0.000 1.142 490 W HN 0.220 nan 8.180 nan 0.000 0.521 491 N N 1.736 120.514 118.700 0.130 0.000 2.402 491 N HA -0.051 4.689 4.740 0.001 0.000 0.252 491 N C 0.308 175.707 175.510 -0.185 0.000 1.118 491 N CA 0.434 53.376 53.050 -0.181 0.000 0.945 491 N CB 0.431 39.009 38.487 0.152 0.000 1.147 491 N HN 0.102 nan 8.380 nan 0.000 0.495 492 D N 2.099 122.317 120.400 -0.303 0.000 2.351 492 D HA -0.078 4.563 4.640 0.001 0.000 0.216 492 D C 0.736 176.979 176.300 -0.096 0.000 0.968 492 D CA 0.862 54.764 54.000 -0.165 0.000 0.899 492 D CB 0.200 40.915 40.800 -0.142 0.000 0.907 492 D HN 0.511 nan 8.370 nan 0.000 0.514 493 C N 0.252 119.508 119.300 -0.074 0.000 2.884 493 C HA 0.316 4.776 4.460 0.001 0.000 0.287 493 C C 0.529 175.519 174.990 0.001 0.000 1.310 493 C CA -0.723 58.303 59.018 0.013 0.000 1.725 493 C CB -0.739 27.038 27.740 0.061 0.000 2.060 493 C HN 0.098 nan 8.230 nan 0.000 0.618 494 L N 2.810 124.025 121.223 -0.012 0.000 2.301 494 L HA 0.441 4.781 4.340 0.001 0.000 0.278 494 L C -0.956 175.905 176.870 -0.014 0.000 1.022 494 L CA 0.121 54.955 54.840 -0.010 0.000 0.854 494 L CB -0.230 41.850 42.059 0.035 0.000 1.226 494 L HN 0.190 nan 8.230 nan 0.000 0.429 495 N N 5.188 123.873 118.700 -0.025 0.000 2.706 495 N HA 0.322 5.062 4.740 0.001 0.000 0.240 495 N C 0.490 175.984 175.510 -0.026 0.000 1.039 495 N CA -0.386 52.648 53.050 -0.027 0.000 0.888 495 N CB 1.160 39.631 38.487 -0.026 0.000 1.128 495 N HN 0.535 nan 8.380 nan 0.000 0.512 496 L N 0.730 121.941 121.223 -0.020 0.000 2.416 496 L HA 0.269 4.610 4.340 0.001 0.000 0.216 496 L C 1.784 178.646 176.870 -0.013 0.000 1.098 496 L CA 0.312 55.141 54.840 -0.017 0.000 0.840 496 L CB -0.540 41.512 42.059 -0.011 0.000 0.981 496 L HN 0.719 nan 8.230 nan 0.000 0.462 497 G N 1.054 109.846 108.800 -0.012 0.000 2.620 497 G HA2 -0.405 3.555 3.960 0.001 0.000 0.315 497 G HA3 -0.405 3.555 3.960 0.001 0.000 0.315 497 G C 1.008 175.911 174.900 0.006 0.000 1.179 497 G CA 0.287 45.383 45.100 -0.007 0.000 0.971 497 G HN 0.387 nan 8.290 nan 0.000 0.544 498 G N 1.728 110.529 108.800 0.001 0.000 2.598 498 G HA2 0.456 4.416 3.960 0.001 0.000 0.215 498 G HA3 0.456 4.416 3.960 0.001 0.000 0.215 498 G C 1.167 176.062 174.900 -0.008 0.000 1.131 498 G CA 1.233 46.333 45.100 -0.001 0.000 0.785 498 G HN 1.553 nan 8.290 nan 0.000 0.539 499 G N -0.267 108.528 108.800 -0.009 0.000 2.716 499 G HA2 0.440 4.401 3.960 0.001 0.000 0.251 499 G HA3 0.440 4.401 3.960 0.001 0.000 0.251 499 G C -0.496 174.397 174.900 -0.011 0.000 1.224 499 G CA -0.474 44.619 45.100 -0.013 0.000 0.891 499 G HN 0.389 nan 8.290 nan 0.000 0.561 500 E N -0.939 119.251 120.200 -0.017 0.000 2.212 500 E HA 0.454 4.804 4.350 0.001 0.000 0.268 500 E C -0.854 175.732 176.600 -0.024 0.000 0.902 500 E CA -0.619 55.768 56.400 -0.022 0.000 0.779 500 E CB 2.038 31.716 29.700 -0.037 0.000 1.172 500 E HN 0.328 nan 8.360 nan 0.000 0.409 501 S N 1.209 116.892 115.700 -0.027 0.000 2.456 501 S HA 0.192 4.662 4.470 0.001 0.000 0.316 501 S C 0.573 175.110 174.600 -0.105 0.000 1.089 501 S CA -0.547 57.634 58.200 -0.032 0.000 1.101 501 S CB 1.179 64.386 63.200 0.011 0.000 0.995 501 S HN 0.488 nan 8.310 nan 0.000 0.468 502 S N 5.615 121.231 115.700 -0.140 0.000 2.383 502 S HA -0.115 4.356 4.470 0.001 0.000 0.227 502 S C 2.022 176.348 174.600 -0.456 0.000 1.026 502 S CA 0.962 58.930 58.200 -0.386 0.000 0.981 502 S CB -0.348 62.732 63.200 -0.201 0.000 0.818 502 S HN 0.849 nan 8.310 nan 0.000 0.472 503 M N 1.900 121.454 119.600 -0.077 0.000 2.080 503 M HA -0.108 4.373 4.480 0.001 0.000 0.260 503 M C 1.934 178.238 176.300 0.006 0.000 1.068 503 M CA 1.758 57.101 55.300 0.071 0.000 1.109 503 M CB -0.908 31.801 32.600 0.181 0.000 1.342 503 M HN 0.209 nan 8.290 nan 0.000 0.405 504 V N -0.139 119.764 119.914 -0.018 0.000 2.358 504 V HA -0.202 3.919 4.120 0.001 0.000 0.246 504 V C 2.478 178.562 176.094 -0.016 0.000 1.047 504 V CA 1.881 64.168 62.300 -0.022 0.000 1.035 504 V CB -0.901 30.924 31.823 0.004 0.000 0.658 504 V HN 0.496 nan 8.190 nan 0.000 0.452 505 S N -0.203 115.441 115.700 -0.092 0.000 2.382 505 S HA -0.112 4.359 4.470 0.001 0.000 0.228 505 S C 1.769 176.410 174.600 0.069 0.000 1.027 505 S CA 1.460 59.638 58.200 -0.038 0.000 0.991 505 S CB -0.349 62.735 63.200 -0.193 0.000 0.823 505 S HN 0.521 nan 8.310 nan 0.000 0.469 506 F N 1.166 121.142 119.950 0.043 0.000 2.146 506 F HA 0.047 4.574 4.527 0.001 0.000 0.298 506 F C 2.006 177.858 175.800 0.085 0.000 1.096 506 F CA 0.034 58.044 58.000 0.018 0.000 1.275 506 F CB -1.107 37.830 39.000 -0.106 0.000 1.008 506 F HN 0.178 nan 8.300 nan 0.000 0.480 507 L N -0.359 120.962 121.223 0.164 0.000 2.083 507 L HA -0.202 4.139 4.340 0.001 0.000 0.209 507 L C 2.474 179.442 176.870 0.163 0.000 1.083 507 L CA 1.936 56.796 54.840 0.034 0.000 0.752 507 L CB -1.163 40.701 42.059 -0.325 0.000 0.899 507 L HN 0.300 nan 8.230 nan 0.000 0.433 508 H N -1.924 117.181 119.070 0.058 0.000 2.353 508 H HA -0.258 4.299 4.556 0.001 0.000 0.300 508 H C 2.104 177.530 175.328 0.162 0.000 1.090 508 H CA 1.740 57.835 56.048 0.078 0.000 1.327 508 H CB -0.083 29.737 29.762 0.097 0.000 1.383 508 H HN 0.440 nan 8.280 nan 0.000 0.508 509 F N 0.281 120.307 119.950 0.127 0.000 2.134 509 F HA -0.235 4.292 4.527 0.001 0.000 0.299 509 F C 2.306 178.215 175.800 0.183 0.000 1.097 509 F CA 1.650 59.704 58.000 0.090 0.000 1.264 509 F CB -0.512 38.578 39.000 0.150 0.000 1.001 509 F HN 0.290 nan 8.300 nan 0.000 0.479 510 W N 1.189 122.569 121.300 0.134 0.000 2.355 510 W HA -0.149 4.512 4.660 0.001 0.000 0.309 510 W C 2.375 178.900 176.519 0.010 0.000 1.206 510 W CA 2.430 59.810 57.345 0.060 0.000 1.284 510 W CB -1.149 28.356 29.460 0.075 0.000 1.145 510 W HN 0.073 nan 8.180 nan 0.000 0.502 511 A N 0.224 123.015 122.820 -0.047 0.000 1.933 511 A HA -0.182 4.138 4.320 0.001 0.000 0.218 511 A C 2.223 179.742 177.584 -0.109 0.000 1.175 511 A CA 1.913 53.843 52.037 -0.179 0.000 0.628 511 A CB -1.071 17.889 19.000 -0.066 0.000 0.814 511 A HN 0.374 nan 8.150 nan 0.000 0.444 512 L N -0.862 120.291 121.223 -0.117 0.000 2.046 512 L HA -0.216 4.125 4.340 0.001 0.000 0.208 512 L C 2.909 179.713 176.870 -0.109 0.000 1.077 512 L CA 1.148 55.911 54.840 -0.128 0.000 0.747 512 L CB -0.497 41.417 42.059 -0.242 0.000 0.896 512 L HN 0.369 nan 8.230 nan 0.000 0.432 513 Q N -0.099 119.568 119.800 -0.222 0.000 2.084 513 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 513 Q C 2.159 178.153 176.000 -0.010 0.000 0.978 513 Q CA 1.313 57.033 55.803 -0.139 0.000 0.844 513 Q CB -0.253 28.421 28.738 -0.107 0.000 0.898 513 Q HN 0.476 nan 8.270 nan 0.000 0.426 514 E N -0.134 120.046 120.200 -0.034 0.000 2.077 514 E HA -0.130 4.221 4.350 0.001 0.000 0.193 514 E C 1.809 178.463 176.600 0.091 0.000 0.989 514 E CA 0.573 56.979 56.400 0.010 0.000 0.800 514 E CB -0.353 29.267 29.700 -0.133 0.000 0.746 514 E HN 0.279 nan 8.360 nan 0.000 0.452 515 F N 1.243 121.144 119.950 -0.081 0.000 2.186 515 F HA -0.090 4.437 4.527 0.001 0.000 0.299 515 F C 2.199 177.973 175.800 -0.044 0.000 1.090 515 F CA 0.830 58.770 58.000 -0.099 0.000 1.307 515 F CB -0.133 38.714 39.000 -0.254 0.000 1.019 515 F HN -0.091 nan 8.300 nan 0.000 0.489 516 I N 0.019 120.624 120.570 0.059 0.000 2.226 516 I HA -0.318 3.852 4.170 0.001 0.000 0.245 516 I C 1.971 178.078 176.117 -0.016 0.000 1.100 516 I CA 1.516 62.837 61.300 0.035 0.000 1.374 516 I CB -0.566 37.476 38.000 0.070 0.000 1.057 516 I HN 0.062 nan 8.210 nan 0.000 0.413 517 D N 0.638 121.058 120.400 0.034 0.000 2.144 517 D HA -0.170 4.470 4.640 0.001 0.000 0.199 517 D C 2.020 178.351 176.300 0.051 0.000 0.984 517 D CA 1.121 55.179 54.000 0.097 0.000 0.834 517 D CB -0.242 40.670 40.800 0.187 0.000 0.955 517 D HN 0.210 nan 8.370 nan 0.000 0.465 518 L N 1.051 122.235 121.223 -0.064 0.000 2.027 518 L HA -0.032 4.308 4.340 0.001 0.000 0.206 518 L C 2.157 178.802 176.870 -0.375 0.000 1.074 518 L CA 1.829 56.470 54.840 -0.333 0.000 0.745 518 L CB -0.844 40.976 42.059 -0.399 0.000 0.898 518 L HN -0.038 nan 8.230 nan 0.000 0.433 519 A N -0.444 122.128 122.820 -0.412 0.000 1.908 519 A HA -0.248 4.073 4.320 0.001 0.000 0.218 519 A C 2.326 179.815 177.584 -0.157 0.000 1.181 519 A CA 2.091 53.958 52.037 -0.283 0.000 0.627 519 A CB -0.553 18.330 19.000 -0.196 0.000 0.818 519 A HN 0.547 nan 8.150 nan 0.000 0.445 520 K N -1.578 118.772 120.400 -0.084 0.000 2.026 520 K HA -0.128 4.192 4.320 0.001 0.000 0.208 520 K C 1.817 178.399 176.600 -0.030 0.000 1.048 520 K CA 1.578 57.850 56.287 -0.026 0.000 0.929 520 K CB -0.396 32.123 32.500 0.032 0.000 0.713 520 K HN 0.493 nan 8.250 nan 0.000 0.439 521 F N 1.894 121.727 119.950 -0.194 0.000 2.161 521 F HA -0.147 4.381 4.527 0.001 0.000 0.300 521 F C 1.583 177.239 175.800 -0.240 0.000 1.089 521 F CA 1.372 59.237 58.000 -0.225 0.000 1.282 521 F CB -0.134 38.608 39.000 -0.429 0.000 1.010 521 F HN -0.092 nan 8.300 nan 0.000 0.485 522 L N -0.290 120.656 121.223 -0.462 0.000 2.554 522 L HA 0.191 4.531 4.340 0.001 0.000 0.226 522 L C 1.728 178.381 176.870 -0.363 0.000 1.137 522 L CA 0.660 55.183 54.840 -0.528 0.000 0.863 522 L CB -1.015 40.745 42.059 -0.498 0.000 0.985 522 L HN 0.422 nan 8.230 nan 0.000 0.451 523 G N 0.529 109.174 108.800 -0.257 0.000 2.147 523 G HA2 -0.273 3.688 3.960 0.001 0.000 0.244 523 G HA3 -0.273 3.688 3.960 0.001 0.000 0.244 523 G C 0.105 174.929 174.900 -0.127 0.000 1.005 523 G CA -0.097 44.902 45.100 -0.168 0.000 0.713 523 G HN 0.186 nan 8.290 nan 0.000 0.515 524 K N 1.571 121.894 120.400 -0.127 0.000 2.307 524 K HA 0.327 4.647 4.320 0.001 0.000 0.240 524 K C 1.302 177.905 176.600 0.005 0.000 1.214 524 K CA -0.231 56.021 56.287 -0.058 0.000 1.149 524 K CB 0.277 32.755 32.500 -0.036 0.000 1.668 524 K HN 0.294 nan 8.250 nan 0.000 0.314 525 D N 0.657 121.055 120.400 -0.004 0.000 2.133 525 D HA -0.242 4.399 4.640 0.001 0.000 0.195 525 D C 1.538 177.861 176.300 0.039 0.000 0.997 525 D CA 1.296 55.304 54.000 0.014 0.000 0.840 525 D CB 0.334 41.135 40.800 0.002 0.000 0.947 525 D HN 0.374 nan 8.370 nan 0.000 0.452 526 Q N 0.996 120.823 119.800 0.046 0.000 2.061 526 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 526 Q C 1.476 177.527 176.000 0.086 0.000 0.984 526 Q CA 1.593 57.428 55.803 0.053 0.000 0.846 526 Q CB -0.160 28.610 28.738 0.054 0.000 0.902 526 Q HN 0.146 nan 8.270 nan 0.000 0.421 527 D N -0.971 119.530 120.400 0.169 0.000 2.178 527 D HA -0.106 4.534 4.640 0.001 0.000 0.202 527 D C 1.877 178.367 176.300 0.316 0.000 0.974 527 D CA 1.021 55.215 54.000 0.324 0.000 0.841 527 D CB -0.042 41.074 40.800 0.527 0.000 0.953 527 D HN 0.157 nan 8.370 nan 0.000 0.478 528 V N 1.923 121.946 119.914 0.181 0.000 2.287 528 V HA -0.242 3.878 4.120 0.001 0.000 0.248 528 V C 2.113 178.274 176.094 0.111 0.000 1.053 528 V CA 1.507 63.890 62.300 0.138 0.000 1.027 528 V CB -0.414 31.449 31.823 0.067 0.000 0.646 528 V HN 0.187 nan 8.190 nan 0.000 0.447 529 N N -0.077 118.662 118.700 0.064 0.000 2.142 529 N HA -0.131 4.610 4.740 0.001 0.000 0.186 529 N C 1.921 177.424 175.510 -0.011 0.000 1.023 529 N CA 1.946 55.013 53.050 0.028 0.000 0.852 529 N CB -0.663 37.832 38.487 0.013 0.000 0.998 529 N HN 0.446 nan 8.380 nan 0.000 0.424 530 T N 0.713 115.226 114.554 -0.069 0.000 2.652 530 T HA -0.129 4.222 4.350 0.001 0.000 0.267 530 T C 1.601 176.102 174.700 -0.331 0.000 1.039 530 T CA 1.260 63.209 62.100 -0.251 0.000 1.153 530 T CB -0.395 68.206 68.868 -0.446 0.000 0.863 530 T HN 0.273 nan 8.240 nan 0.000 0.428 531 Y N 1.101 121.450 120.300 0.082 0.000 2.516 531 Y HA 0.066 4.617 4.550 0.001 0.000 0.291 531 Y C 2.833 178.753 175.900 0.033 0.000 1.131 531 Y CA 0.343 58.484 58.100 0.068 0.000 1.281 531 Y CB -0.802 37.752 38.460 0.158 0.000 1.013 531 Y HN 0.159 nan 8.280 nan 0.000 0.554 532 T N -0.481 114.150 114.554 0.128 0.000 2.857 532 T HA -0.172 4.178 4.350 0.001 0.000 0.266 532 T C 1.810 176.549 174.700 0.064 0.000 1.048 532 T CA 1.438 63.589 62.100 0.085 0.000 1.139 532 T CB -0.066 68.845 68.868 0.072 0.000 0.874 532 T HN 0.447 nan 8.240 nan 0.000 0.455 533 E N 0.692 120.913 120.200 0.035 0.000 2.072 533 E HA -0.113 4.237 4.350 0.001 0.000 0.191 533 E C 2.232 178.853 176.600 0.035 0.000 0.985 533 E CA 0.851 57.267 56.400 0.025 0.000 0.801 533 E CB -0.180 29.515 29.700 -0.008 0.000 0.750 533 E HN 0.429 nan 8.360 nan 0.000 0.452 534 M N 0.282 119.894 119.600 0.020 0.000 2.117 534 M HA -0.156 4.325 4.480 0.001 0.000 0.262 534 M C 2.237 178.573 176.300 0.060 0.000 1.065 534 M CA 1.827 57.150 55.300 0.038 0.000 1.114 534 M CB -0.098 32.534 32.600 0.054 0.000 1.361 534 M HN 0.233 nan 8.290 nan 0.000 0.408 535 A N 0.215 123.071 122.820 0.060 0.000 1.902 535 A HA -0.062 4.258 4.320 0.001 0.000 0.217 535 A C 2.293 180.048 177.584 0.284 0.000 1.181 535 A CA 1.861 53.962 52.037 0.107 0.000 0.623 535 A CB -1.171 17.782 19.000 -0.078 0.000 0.818 535 A HN 0.655 nan 8.150 nan 0.000 0.443 536 A N 0.354 123.287 122.820 0.189 0.000 1.908 536 A HA -0.218 4.102 4.320 0.001 0.000 0.218 536 A C 1.930 179.600 177.584 0.143 0.000 1.181 536 A CA 1.831 53.972 52.037 0.174 0.000 0.627 536 A CB -0.629 18.438 19.000 0.111 0.000 0.818 536 A HN 0.562 nan 8.150 nan 0.000 0.445 537 N N 0.052 118.822 118.700 0.118 0.000 2.188 537 N HA -0.098 4.642 4.740 0.001 0.000 0.184 537 N C 1.712 177.294 175.510 0.120 0.000 1.018 537 N CA 1.514 54.624 53.050 0.100 0.000 0.858 537 N CB -0.467 38.067 38.487 0.079 0.000 0.989 537 N HN 0.283 nan 8.380 nan 0.000 0.426 538 V N 1.419 121.426 119.914 0.156 0.000 2.358 538 V HA -0.169 3.951 4.120 0.001 0.000 0.246 538 V C 2.562 178.730 176.094 0.123 0.000 1.047 538 V CA 1.417 63.819 62.300 0.170 0.000 1.035 538 V CB -0.422 31.547 31.823 0.244 0.000 0.658 538 V HN 0.269 nan 8.190 nan 0.000 0.452 539 R N 0.070 120.635 120.500 0.109 0.000 2.073 539 R HA -0.221 4.120 4.340 0.001 0.000 0.234 539 R C 2.401 178.712 176.300 0.019 0.000 1.134 539 R CA 2.088 58.153 56.100 -0.059 0.000 0.952 539 R CB -0.268 29.982 30.300 -0.084 0.000 0.850 539 R HN 0.668 nan 8.270 nan 0.000 0.433 540 E N -0.263 119.974 120.200 0.060 0.000 2.077 540 E HA -0.204 4.146 4.350 0.001 0.000 0.193 540 E C 1.766 178.417 176.600 0.085 0.000 0.989 540 E CA 1.277 57.712 56.400 0.059 0.000 0.800 540 E CB -0.120 29.617 29.700 0.062 0.000 0.746 540 E HN 0.480 nan 8.360 nan 0.000 0.452 541 A N 0.374 123.266 122.820 0.120 0.000 1.902 541 A HA -0.189 4.132 4.320 0.001 0.000 0.217 541 A C 2.477 180.191 177.584 0.218 0.000 1.181 541 A CA 1.433 53.590 52.037 0.200 0.000 0.623 541 A CB -0.882 18.214 19.000 0.160 0.000 0.818 541 A HN 0.526 nan 8.150 nan 0.000 0.443 542 C N -0.663 118.726 119.300 0.147 0.000 2.446 542 C HA -0.037 4.423 4.460 0.001 0.000 0.277 542 C C 2.640 177.792 174.990 0.270 0.000 1.275 542 C CA 1.002 60.127 59.018 0.178 0.000 1.727 542 C CB -0.998 26.834 27.740 0.154 0.000 2.010 542 C HN 0.584 nan 8.230 nan 0.000 0.486 543 E N 0.374 120.689 120.200 0.191 0.000 2.204 543 E HA -0.123 4.227 4.350 0.001 0.000 0.194 543 E C 2.134 178.803 176.600 0.115 0.000 0.989 543 E CA 1.287 57.793 56.400 0.177 0.000 0.824 543 E CB -0.449 29.286 29.700 0.058 0.000 0.756 543 E HN 0.615 nan 8.360 nan 0.000 0.477 544 T N -0.141 114.438 114.554 0.041 0.000 2.937 544 T HA -0.018 4.332 4.350 0.001 0.000 0.260 544 T C 1.448 176.020 174.700 -0.213 0.000 1.051 544 T CA 0.678 62.700 62.100 -0.130 0.000 1.141 544 T CB 0.038 68.738 68.868 -0.280 0.000 0.879 544 T HN 0.249 nan 8.240 nan 0.000 0.459 545 H N -0.065 119.081 119.070 0.127 0.000 2.639 545 H HA 0.349 4.905 4.556 0.001 0.000 0.267 545 H C 1.640 177.059 175.328 0.152 0.000 0.958 545 H CA 0.450 56.566 56.048 0.113 0.000 1.221 545 H CB 0.465 30.271 29.762 0.073 0.000 1.446 545 H HN 0.272 nan 8.280 nan 0.000 0.512 546 L N -0.422 121.006 121.223 0.341 0.000 2.607 546 L HA 0.113 4.453 4.340 0.001 0.000 0.228 546 L C 0.673 177.819 176.870 0.460 0.000 1.123 546 L CA -0.093 54.981 54.840 0.391 0.000 0.890 546 L CB 0.458 42.776 42.059 0.432 0.000 1.103 546 L HN 0.215 nan 8.230 nan 0.000 0.468 547 W N 2.630 124.009 121.300 0.132 0.000 2.351 547 W HA 0.157 4.817 4.660 0.001 0.000 0.311 547 W C -0.816 175.624 176.519 -0.131 0.000 1.168 547 W CA -0.146 57.127 57.345 -0.120 0.000 1.200 547 W CB 1.202 30.537 29.460 -0.209 0.000 1.221 547 W HN -0.087 nan 8.180 nan 0.000 0.519 548 D N 5.090 124.907 120.400 -0.972 0.000 2.427 548 D HA -0.021 4.620 4.640 0.001 0.000 0.226 548 D C 0.732 176.295 176.300 -1.228 0.000 1.076 548 D CA -0.123 53.352 54.000 -0.874 0.000 0.849 548 D CB 0.948 41.208 40.800 -0.900 0.000 1.052 548 D HN 0.461 nan 8.370 nan 0.000 0.515 549 D N 2.357 122.372 120.400 -0.642 0.000 2.349 549 D HA -0.085 4.556 4.640 0.001 0.000 0.224 549 D C 0.871 176.989 176.300 -0.303 0.000 1.029 549 D CA 0.534 54.344 54.000 -0.317 0.000 0.879 549 D CB 0.230 41.072 40.800 0.069 0.000 0.906 549 D HN 0.493 nan 8.370 nan 0.000 0.528 550 E N 0.076 120.023 120.200 -0.421 0.000 2.127 550 E HA 0.090 4.440 4.350 0.001 0.000 0.191 550 E C 2.087 178.401 176.600 -0.477 0.000 0.964 550 E CA 0.727 56.925 56.400 -0.336 0.000 0.832 550 E CB -0.013 29.524 29.700 -0.272 0.000 0.790 550 E HN 0.421 nan 8.360 nan 0.000 0.465 551 G N 0.314 108.572 108.800 -0.902 0.000 2.453 551 G HA2 0.098 4.059 3.960 0.001 0.000 0.215 551 G HA3 0.098 4.059 3.960 0.001 0.000 0.215 551 G C 0.985 175.294 174.900 -0.986 0.000 1.147 551 G CA 0.409 44.687 45.100 -1.371 0.000 0.802 551 G HN 0.395 nan 8.290 nan 0.000 0.535 552 G N -1.090 107.082 108.800 -1.047 0.000 2.414 552 G HA2 0.055 4.016 3.960 0.001 0.000 0.256 552 G HA3 0.055 4.016 3.960 0.001 0.000 0.256 552 G C -0.190 174.347 174.900 -0.604 0.000 1.128 552 G CA 0.251 44.971 45.100 -0.634 0.000 0.944 552 G HN 1.456 nan 8.290 nan 0.000 0.500 553 W N -1.993 118.589 121.300 -1.197 0.000 2.937 553 W HA 0.742 5.403 4.660 0.001 0.000 0.360 553 W C -1.290 174.803 176.519 -0.710 0.000 1.215 553 W CA -2.958 53.982 57.345 -0.674 0.000 1.183 553 W CB 0.597 29.950 29.460 -0.178 0.000 1.458 553 W HN 0.147 nan 8.180 nan 0.000 0.574 554 Y N 3.479 124.021 120.300 0.403 0.000 2.320 554 Y HA 0.418 4.968 4.550 0.001 0.000 0.334 554 Y C 1.474 177.645 175.900 0.453 0.000 1.055 554 Y CA -1.069 57.291 58.100 0.432 0.000 1.143 554 Y CB 0.926 39.698 38.460 0.521 0.000 1.193 554 Y HN 0.453 nan 8.280 nan 0.000 0.477 555 I N 0.177 121.036 120.570 0.481 0.000 3.194 555 I HA 0.292 4.462 4.170 0.001 0.000 0.283 555 I C 1.276 177.537 176.117 0.240 0.000 1.199 555 I CA -0.672 60.836 61.300 0.346 0.000 1.328 555 I CB 0.901 39.035 38.000 0.224 0.000 1.404 555 I HN 0.525 nan 8.210 nan 0.000 0.618 556 R N 2.068 122.596 120.500 0.047 0.000 2.161 556 R HA 0.342 4.682 4.340 0.001 0.000 0.213 556 R C 0.431 176.708 176.300 -0.037 0.000 1.055 556 R CA 1.002 57.041 56.100 -0.101 0.000 0.996 556 R CB -0.237 29.695 30.300 -0.613 0.000 0.901 556 R HN 1.093 nan 8.270 nan 0.000 0.456 557 G N -1.832 106.963 108.800 -0.008 0.000 2.344 557 G HA2 0.308 4.269 3.960 0.001 0.000 0.282 557 G HA3 0.308 4.269 3.960 0.001 0.000 0.282 557 G C -2.123 172.783 174.900 0.011 0.000 1.281 557 G CA -0.748 44.348 45.100 -0.006 0.000 0.877 557 G HN 0.032 nan 8.290 nan 0.000 0.494 558 L N 0.693 121.916 121.223 0.001 0.000 2.422 558 L HA 0.672 5.013 4.340 0.001 0.000 0.264 558 L C 0.972 177.840 176.870 -0.003 0.000 0.984 558 L CA -0.484 54.360 54.840 0.006 0.000 0.819 558 L CB 2.078 44.138 42.059 0.001 0.000 1.330 558 L HN 1.040 nan 8.230 nan 0.000 0.410 559 T N -2.188 112.366 114.554 0.000 0.000 2.766 559 T HA 0.188 4.538 4.350 0.001 0.000 0.295 559 T C 1.066 175.760 174.700 -0.010 0.000 1.024 559 T CA -0.112 61.983 62.100 -0.007 0.000 1.018 559 T CB 0.514 69.380 68.868 -0.004 0.000 1.002 559 T HN 0.782 nan 8.240 nan 0.000 0.532 560 K N 0.719 121.112 120.400 -0.013 0.000 2.280 560 K HA -0.099 4.222 4.320 0.001 0.000 0.202 560 K C 1.156 177.748 176.600 -0.014 0.000 1.047 560 K CA 1.165 57.444 56.287 -0.014 0.000 0.942 560 K CB -0.308 32.184 32.500 -0.014 0.000 0.739 560 K HN 0.422 nan 8.250 nan 0.000 0.457 561 N N 0.591 119.285 118.700 -0.009 0.000 2.322 561 N HA 0.040 4.780 4.740 0.001 0.000 0.194 561 N C 0.609 176.117 175.510 -0.004 0.000 1.126 561 N CA 0.883 53.929 53.050 -0.007 0.000 0.845 561 N CB 1.094 39.579 38.487 -0.003 0.000 0.976 561 N HN 0.570 nan 8.380 nan 0.000 0.475 562 G N 1.303 110.100 108.800 -0.006 0.000 2.143 562 G HA2 -0.260 3.701 3.960 0.001 0.000 0.249 562 G HA3 -0.260 3.701 3.960 0.001 0.000 0.249 562 G C -0.283 174.623 174.900 0.011 0.000 0.981 562 G CA 0.127 45.225 45.100 -0.002 0.000 0.665 562 G HN 0.427 nan 8.290 nan 0.000 0.528 563 D N 0.816 121.224 120.400 0.014 0.000 2.277 563 D HA 0.477 5.118 4.640 0.001 0.000 0.249 563 D C 0.806 177.128 176.300 0.036 0.000 1.134 563 D CA -0.312 53.703 54.000 0.026 0.000 0.863 563 D CB 0.437 41.253 40.800 0.026 0.000 1.143 563 D HN 0.275 nan 8.370 nan 0.000 0.458 564 K N 3.064 123.492 120.400 0.047 0.000 2.382 564 K HA 0.262 4.582 4.320 0.001 0.000 0.275 564 K C -0.152 176.497 176.600 0.081 0.000 1.009 564 K CA -0.015 56.309 56.287 0.062 0.000 0.970 564 K CB 0.912 33.454 32.500 0.070 0.000 0.934 564 K HN 0.478 nan 8.250 nan 0.000 0.479 565 I N 1.298 121.917 120.570 0.081 0.000 2.355 565 I HA 0.252 4.422 4.170 0.001 0.000 0.288 565 I C 0.538 176.728 176.117 0.123 0.000 0.999 565 I CA -0.210 61.153 61.300 0.106 0.000 1.163 565 I CB 1.620 39.651 38.000 0.051 0.000 1.316 565 I HN 0.888 nan 8.210 nan 0.000 0.454 566 G N 3.459 112.397 108.800 0.230 0.000 2.526 566 G HA2 -0.154 3.807 3.960 0.001 0.000 0.225 566 G HA3 -0.154 3.807 3.960 0.001 0.000 0.225 566 G C -0.135 175.025 174.900 0.434 0.000 1.120 566 G CA -0.119 45.179 45.100 0.331 0.000 0.904 566 G HN 0.769 nan 8.290 nan 0.000 0.498 567 T N -2.934 111.818 114.554 0.329 0.000 2.950 567 T HA 0.820 5.171 4.350 0.001 0.000 0.288 567 T C 1.578 176.474 174.700 0.326 0.000 1.035 567 T CA 0.239 62.504 62.100 0.275 0.000 1.028 567 T CB 1.980 70.906 68.868 0.096 0.000 1.109 567 T HN 1.463 nan 8.240 nan 0.000 0.514 568 A N 0.226 123.113 122.820 0.111 0.000 2.067 568 A HA -0.009 4.312 4.320 0.001 0.000 0.219 568 A C 2.146 179.768 177.584 0.064 0.000 1.158 568 A CA 0.795 52.886 52.037 0.090 0.000 0.661 568 A CB -0.648 18.183 19.000 -0.281 0.000 0.801 568 A HN 0.737 nan 8.150 nan 0.000 0.452 569 Q N -0.037 119.783 119.800 0.033 0.000 2.408 569 Q HA 0.079 4.419 4.340 0.001 0.000 0.205 569 Q C 0.288 176.310 176.000 0.036 0.000 0.919 569 Q CA 0.321 56.136 55.803 0.020 0.000 0.932 569 Q CB 0.090 28.829 28.738 0.002 0.000 1.058 569 Q HN 0.781 nan 8.270 nan 0.000 0.517 570 Q N 0.264 120.101 119.800 0.061 0.000 2.368 570 Q HA 0.115 4.455 4.340 0.001 0.000 0.237 570 Q C 0.851 176.864 176.000 0.022 0.000 0.987 570 Q CA 0.046 55.881 55.803 0.054 0.000 0.896 570 Q CB 0.666 29.455 28.738 0.086 0.000 1.241 570 Q HN 0.158 nan 8.270 nan 0.000 0.485 571 Q N 0.307 120.114 119.800 0.012 0.000 2.354 571 Q HA 0.008 4.349 4.340 0.001 0.000 0.203 571 Q C -0.415 175.551 176.000 -0.057 0.000 0.933 571 Q CA 0.750 56.543 55.803 -0.017 0.000 0.901 571 Q CB 0.612 29.347 28.738 -0.004 0.000 1.007 571 Q HN 0.529 nan 8.270 nan 0.000 0.495 572 E N -0.490 119.676 120.200 -0.057 0.000 2.293 572 E HA 0.433 4.783 4.350 0.001 0.000 0.270 572 E C -0.518 175.883 176.600 -0.331 0.000 0.879 572 E CA -0.620 55.672 56.400 -0.179 0.000 0.756 572 E CB 1.846 31.515 29.700 -0.052 0.000 1.208 572 E HN 0.187 nan 8.360 nan 0.000 0.428 573 G N 2.372 110.753 108.800 -0.698 0.000 2.372 573 G HA2 -0.335 3.626 3.960 0.001 0.000 0.297 573 G HA3 -0.335 3.626 3.960 0.001 0.000 0.297 573 G C 0.570 175.322 174.900 -0.245 0.000 1.005 573 G CA 0.624 45.246 45.100 -0.797 0.000 1.173 573 G HN 0.555 nan 8.290 nan 0.000 0.511 574 R N -1.166 119.154 120.500 -0.300 0.000 2.057 574 R HA 0.137 4.478 4.340 0.001 0.000 0.224 574 R C 1.052 177.102 176.300 -0.418 0.000 1.136 574 R CA 1.280 57.280 56.100 -0.167 0.000 0.968 574 R CB 0.212 30.410 30.300 -0.170 0.000 0.863 574 R HN 0.361 nan 8.270 nan 0.000 0.433 575 V N 2.519 121.998 119.914 -0.725 0.000 2.398 575 V HA 0.213 4.333 4.120 0.001 0.000 0.286 575 V C -0.335 175.431 176.094 -0.547 0.000 1.026 575 V CA -0.542 61.257 62.300 -0.835 0.000 0.868 575 V CB 1.356 32.677 31.823 -0.836 0.000 0.982 575 V HN 0.273 nan 8.190 nan 0.000 0.443 576 H N 4.062 122.987 119.070 -0.241 0.000 2.524 576 H HA 0.315 4.872 4.556 0.001 0.000 0.353 576 H C 0.440 175.760 175.328 -0.014 0.000 1.136 576 H CA -0.728 55.283 56.048 -0.062 0.000 1.193 576 H CB 2.943 32.728 29.762 0.039 0.000 1.558 576 H HN 0.515 nan 8.280 nan 0.000 0.515 577 L N 2.681 123.956 121.223 0.088 0.000 2.072 577 L HA -0.081 4.259 4.340 0.001 0.000 0.205 577 L C 1.728 178.658 176.870 0.099 0.000 1.079 577 L CA 1.686 56.552 54.840 0.044 0.000 0.752 577 L CB -0.243 41.795 42.059 -0.035 0.000 0.906 577 L HN 0.606 nan 8.230 nan 0.000 0.436 578 E N -0.433 119.856 120.200 0.149 0.000 2.051 578 E HA -0.202 4.149 4.350 0.001 0.000 0.192 578 E C 2.278 179.018 176.600 0.234 0.000 0.991 578 E CA 1.741 58.279 56.400 0.230 0.000 0.799 578 E CB -0.485 29.370 29.700 0.258 0.000 0.748 578 E HN 0.667 nan 8.360 nan 0.000 0.449 579 S N 0.939 116.803 115.700 0.272 0.000 2.356 579 S HA -0.149 4.322 4.470 0.001 0.000 0.223 579 S C 1.813 176.570 174.600 0.261 0.000 1.032 579 S CA 1.121 59.554 58.200 0.389 0.000 1.005 579 S CB -0.420 63.030 63.200 0.415 0.000 0.867 579 S HN 0.141 nan 8.310 nan 0.000 0.449 580 N N 1.848 120.691 118.700 0.238 0.000 2.188 580 N HA -0.078 4.663 4.740 0.001 0.000 0.184 580 N C 2.155 177.693 175.510 0.046 0.000 1.018 580 N CA 2.006 55.182 53.050 0.210 0.000 0.858 580 N CB -0.797 37.834 38.487 0.241 0.000 0.989 580 N HN 0.837 nan 8.380 nan 0.000 0.426 581 T N -0.384 114.187 114.554 0.028 0.000 2.812 581 T HA 0.048 4.398 4.350 0.001 0.000 0.264 581 T C 2.195 176.783 174.700 -0.187 0.000 1.042 581 T CA 0.512 62.593 62.100 -0.032 0.000 1.140 581 T CB -0.572 68.321 68.868 0.042 0.000 0.870 581 T HN 0.055 nan 8.240 nan 0.000 0.445 582 L N 1.021 122.106 121.223 -0.229 0.000 2.201 582 L HA 0.119 4.460 4.340 0.001 0.000 0.212 582 L C 3.289 179.802 176.870 -0.596 0.000 1.105 582 L CA 0.842 55.448 54.840 -0.390 0.000 0.775 582 L CB -0.749 41.154 42.059 -0.260 0.000 0.913 582 L HN 0.391 nan 8.230 nan 0.000 0.440 583 A N -0.208 122.023 122.820 -0.982 0.000 1.933 583 A HA -0.135 4.186 4.320 0.001 0.000 0.218 583 A C 2.268 179.412 177.584 -0.733 0.000 1.175 583 A CA 1.851 52.927 52.037 -1.602 0.000 0.628 583 A CB -0.532 17.394 19.000 -1.791 0.000 0.814 583 A HN 0.224 nan 8.150 nan 0.000 0.444 584 V N -0.631 119.028 119.914 -0.425 0.000 2.426 584 V HA -0.091 4.030 4.120 0.001 0.000 0.242 584 V C 2.392 178.344 176.094 -0.237 0.000 1.036 584 V CA 1.292 63.449 62.300 -0.238 0.000 1.044 584 V CB -0.685 31.067 31.823 -0.119 0.000 0.688 584 V HN 0.612 nan 8.190 nan 0.000 0.462 585 L N 1.111 122.143 121.223 -0.319 0.000 2.042 585 L HA -0.202 4.139 4.340 0.001 0.000 0.210 585 L C 2.641 179.252 176.870 -0.432 0.000 1.076 585 L CA 2.252 56.838 54.840 -0.422 0.000 0.749 585 L CB -0.299 41.403 42.059 -0.595 0.000 0.893 585 L HN 0.559 nan 8.230 nan 0.000 0.432 586 S N -0.927 114.580 115.700 -0.323 0.000 2.447 586 S HA 0.022 4.493 4.470 0.001 0.000 0.233 586 S C 1.600 176.359 174.600 0.265 0.000 1.006 586 S CA 0.682 58.881 58.200 -0.002 0.000 0.957 586 S CB -0.227 63.094 63.200 0.201 0.000 0.773 586 S HN 0.791 nan 8.310 nan 0.000 0.507 587 G N 0.797 109.652 108.800 0.092 0.000 2.175 587 G HA2 -0.253 3.708 3.960 0.001 0.000 0.244 587 G HA3 -0.253 3.708 3.960 0.001 0.000 0.244 587 G C 0.448 175.431 174.900 0.138 0.000 0.982 587 G CA 0.349 45.555 45.100 0.177 0.000 0.641 587 G HN 0.551 nan 8.290 nan 0.000 0.527 588 L N 0.666 121.795 121.223 -0.157 0.000 2.023 588 L HA 0.568 4.908 4.340 0.001 0.000 0.205 588 L C 2.135 178.790 176.870 -0.359 0.000 1.073 588 L CA 1.579 56.019 54.840 -0.667 0.000 0.745 588 L CB -0.383 41.149 42.059 -0.877 0.000 0.900 588 L HN 0.586 nan 8.230 nan 0.000 0.435 589 A N -0.004 122.629 122.820 -0.312 0.000 2.445 589 A HA 0.305 4.625 4.320 0.001 0.000 0.242 589 A C 0.539 178.072 177.584 -0.085 0.000 1.075 589 A CA 0.262 52.208 52.037 -0.153 0.000 0.777 589 A CB 0.004 18.938 19.000 -0.111 0.000 1.013 589 A HN 0.530 nan 8.150 nan 0.000 0.493 590 S N 0.932 116.590 115.700 -0.071 0.000 2.614 590 S HA 0.190 4.661 4.470 0.001 0.000 0.265 590 S C 0.945 175.512 174.600 -0.055 0.000 1.303 590 S CA 0.340 58.498 58.200 -0.070 0.000 1.000 590 S CB 0.851 63.988 63.200 -0.105 0.000 0.935 590 S HN 0.815 nan 8.310 nan 0.000 0.551 591 Q N 0.800 120.576 119.800 -0.039 0.000 2.096 591 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 591 Q C 1.646 177.629 176.000 -0.029 0.000 0.982 591 Q CA 2.330 58.119 55.803 -0.023 0.000 0.850 591 Q CB -0.559 28.169 28.738 -0.016 0.000 0.901 591 Q HN 0.873 nan 8.270 nan 0.000 0.422 592 E N -0.176 119.988 120.200 -0.059 0.000 2.031 592 E HA -0.135 4.215 4.350 0.001 0.000 0.193 592 E C 2.121 178.662 176.600 -0.097 0.000 0.994 592 E CA 1.516 57.873 56.400 -0.071 0.000 0.800 592 E CB -0.162 29.478 29.700 -0.101 0.000 0.752 592 E HN 0.300 nan 8.360 nan 0.000 0.447 593 R N -0.097 120.270 120.500 -0.221 0.000 2.115 593 R HA -0.019 4.322 4.340 0.001 0.000 0.230 593 R C 2.425 178.741 176.300 0.026 0.000 1.111 593 R CA 1.057 56.928 56.100 -0.381 0.000 0.976 593 R CB -0.467 29.340 30.300 -0.822 0.000 0.870 593 R HN 0.280 nan 8.270 nan 0.000 0.445 594 G N 1.136 109.970 108.800 0.057 0.000 2.421 594 G HA2 -0.270 3.690 3.960 0.001 0.000 0.216 594 G HA3 -0.270 3.690 3.960 0.001 0.000 0.216 594 G C 1.128 176.108 174.900 0.133 0.000 1.171 594 G CA 0.571 45.743 45.100 0.121 0.000 0.775 594 G HN 0.320 nan 8.290 nan 0.000 0.543 595 E N -0.210 120.042 120.200 0.088 0.000 2.051 595 E HA -0.192 4.159 4.350 0.001 0.000 0.192 595 E C 2.466 179.150 176.600 0.140 0.000 0.991 595 E CA 1.170 57.623 56.400 0.090 0.000 0.799 595 E CB -0.150 29.581 29.700 0.051 0.000 0.748 595 E HN 0.603 nan 8.360 nan 0.000 0.449 596 Q N 0.437 120.345 119.800 0.179 0.000 2.079 596 Q HA -0.149 4.191 4.340 0.001 0.000 0.200 596 Q C 2.112 178.303 176.000 0.317 0.000 0.974 596 Q CA 1.357 57.309 55.803 0.247 0.000 0.840 596 Q CB -0.086 28.842 28.738 0.317 0.000 0.898 596 Q HN 0.226 nan 8.270 nan 0.000 0.430 597 A N 0.560 123.622 122.820 0.404 0.000 1.877 597 A HA -0.173 4.147 4.320 0.001 0.000 0.216 597 A C 2.001 179.762 177.584 0.296 0.000 1.186 597 A CA 1.510 53.799 52.037 0.419 0.000 0.620 597 A CB -0.441 18.893 19.000 0.556 0.000 0.822 597 A HN 0.414 nan 8.150 nan 0.000 0.443 598 M N -0.092 119.651 119.600 0.239 0.000 2.394 598 M HA -0.068 4.412 4.480 0.001 0.000 0.264 598 M C 0.987 177.402 176.300 0.191 0.000 1.073 598 M CA 1.007 56.427 55.300 0.201 0.000 1.111 598 M CB -1.282 31.427 32.600 0.182 0.000 1.401 598 M HN 0.317 nan 8.290 nan 0.000 0.448 599 D N 0.447 120.949 120.400 0.171 0.000 2.183 599 D HA 0.027 4.667 4.640 0.001 0.000 0.203 599 D C 1.980 178.347 176.300 0.112 0.000 0.969 599 D CA 1.155 55.230 54.000 0.126 0.000 0.842 599 D CB 0.076 40.940 40.800 0.107 0.000 0.957 599 D HN 0.285 nan 8.370 nan 0.000 0.484 600 A N 0.381 123.310 122.820 0.182 0.000 1.898 600 A HA -0.096 4.224 4.320 0.001 0.000 0.216 600 A C 2.465 180.116 177.584 0.112 0.000 1.181 600 A CA 0.883 53.049 52.037 0.214 0.000 0.620 600 A CB -0.641 18.592 19.000 0.388 0.000 0.819 600 A HN 0.121 nan 8.150 nan 0.000 0.442 601 V N 0.621 120.604 119.914 0.115 0.000 2.295 601 V HA -0.281 3.839 4.120 0.001 0.000 0.246 601 V C 2.374 178.530 176.094 0.102 0.000 1.049 601 V CA 2.607 64.951 62.300 0.074 0.000 1.024 601 V CB -0.766 31.099 31.823 0.069 0.000 0.648 601 V HN 0.755 nan 8.190 nan 0.000 0.447 602 D N -0.163 120.341 120.400 0.173 0.000 2.084 602 D HA -0.240 4.401 4.640 0.001 0.000 0.194 602 D C 2.227 178.609 176.300 0.137 0.000 0.990 602 D CA 1.772 55.921 54.000 0.248 0.000 0.826 602 D CB -0.157 40.780 40.800 0.229 0.000 0.971 602 D HN 0.552 nan 8.370 nan 0.000 0.453 603 E N -1.478 118.697 120.200 -0.041 0.000 2.077 603 E HA -0.219 4.132 4.350 0.001 0.000 0.193 603 E C 1.448 177.871 176.600 -0.295 0.000 0.989 603 E CA 1.078 57.339 56.400 -0.231 0.000 0.800 603 E CB 0.021 29.434 29.700 -0.479 0.000 0.746 603 E HN 0.515 nan 8.360 nan 0.000 0.452 604 H N -1.156 117.942 119.070 0.047 0.000 2.654 604 H HA 0.169 4.725 4.556 0.001 0.000 0.264 604 H C 1.673 176.976 175.328 -0.042 0.000 0.954 604 H CA 0.374 56.404 56.048 -0.030 0.000 1.199 604 H CB 0.677 30.365 29.762 -0.123 0.000 1.446 604 H HN 0.216 nan 8.280 nan 0.000 0.516 605 L N -0.618 120.675 121.223 0.116 0.000 2.672 605 L HA 0.156 4.496 4.340 0.001 0.000 0.236 605 L C 0.435 177.464 176.870 0.265 0.000 1.092 605 L CA -0.169 54.752 54.840 0.136 0.000 0.887 605 L CB 0.344 42.445 42.059 0.070 0.000 1.168 605 L HN -0.054 nan 8.230 nan 0.000 0.502 606 F N 2.215 122.232 119.950 0.111 0.000 2.471 606 F HA 0.312 4.839 4.527 0.001 0.000 0.353 606 F C 0.674 176.601 175.800 0.211 0.000 1.113 606 F CA -0.479 57.609 58.000 0.148 0.000 1.262 606 F CB 0.803 39.927 39.000 0.207 0.000 1.146 606 F HN -0.013 nan 8.300 nan 0.000 0.578 607 S N 4.500 119.705 115.700 -0.826 0.000 2.607 607 S HA 0.516 4.986 4.470 0.001 0.000 0.273 607 S C -2.571 171.490 174.600 -0.899 0.000 1.148 607 S CA -1.268 56.637 58.200 -0.493 0.000 0.833 607 S CB 1.883 65.149 63.200 0.109 0.000 1.130 607 S HN 0.310 nan 8.310 nan 0.000 0.470 608 P HA 0.025 nan 4.420 nan 0.000 0.223 608 P C 0.037 177.027 177.300 -0.517 0.000 1.144 608 P CA 1.088 63.899 63.100 -0.481 0.000 0.783 608 P CB -0.219 31.204 31.700 -0.461 0.000 0.771 609 Y N -1.687 118.467 120.300 -0.243 0.000 2.458 609 Y HA 0.448 4.999 4.550 0.001 0.000 0.256 609 Y C 1.586 177.388 175.900 -0.165 0.000 1.159 609 Y CA 0.488 58.472 58.100 -0.194 0.000 1.261 609 Y CB 0.225 38.541 38.460 -0.240 0.000 1.119 609 Y HN -0.085 nan 8.280 nan 0.000 0.524 610 G N -0.256 108.476 108.800 -0.113 0.000 2.331 610 G HA2 -0.020 3.941 3.960 0.001 0.000 0.402 610 G HA3 -0.020 3.941 3.960 0.001 0.000 0.402 610 G C -1.687 173.137 174.900 -0.127 0.000 1.275 610 G CA -1.266 43.811 45.100 -0.038 0.000 1.003 610 G HN -0.027 nan 8.290 nan 0.000 0.500 611 L N 1.101 122.290 121.223 -0.057 0.000 2.276 611 L HA 0.464 4.804 4.340 0.001 0.000 0.286 611 L C 0.662 177.492 176.870 -0.068 0.000 1.061 611 L CA -0.871 53.932 54.840 -0.060 0.000 0.807 611 L CB 0.970 42.938 42.059 -0.151 0.000 1.177 611 L HN 0.574 nan 8.230 nan 0.000 0.429 612 H N 1.646 120.710 119.070 -0.010 0.000 2.771 612 H HA -0.008 4.549 4.556 0.001 0.000 0.364 612 H C 0.604 175.926 175.328 -0.011 0.000 1.133 612 H CA -0.186 55.867 56.048 0.008 0.000 1.423 612 H CB 1.072 30.824 29.762 -0.017 0.000 1.425 612 H HN 0.457 nan 8.280 nan 0.000 0.606 613 L N 1.422 122.731 121.223 0.144 0.000 2.156 613 L HA 0.020 4.361 4.340 0.001 0.000 0.208 613 L C -0.070 176.806 176.870 0.010 0.000 1.095 613 L CA 1.311 56.206 54.840 0.091 0.000 0.770 613 L CB -0.423 41.728 42.059 0.154 0.000 0.914 613 L HN 0.954 nan 8.230 nan 0.000 0.439 614 N N -1.876 116.789 118.700 -0.059 0.000 2.961 614 N HA 0.653 5.393 4.740 0.001 0.000 0.245 614 N C -1.319 174.001 175.510 -0.317 0.000 1.404 614 N CA -0.226 52.633 53.050 -0.317 0.000 0.880 614 N CB 1.356 39.570 38.487 -0.455 0.000 1.461 614 N HN 0.044 nan 8.380 nan 0.000 0.510 615 A N 0.073 122.621 122.820 -0.453 0.000 2.555 615 A HA 0.729 5.049 4.320 0.001 0.000 0.297 615 A C -3.169 174.159 177.584 -0.426 0.000 1.060 615 A CA -1.110 50.697 52.037 -0.383 0.000 0.710 615 A CB 1.193 20.015 19.000 -0.296 0.000 1.282 615 A HN 0.538 nan 8.150 nan 0.000 0.399 616 P HA 0.368 nan 4.420 nan 0.000 0.274 616 P C 0.125 177.197 177.300 -0.379 0.000 1.256 616 P CA -0.121 62.797 63.100 -0.303 0.000 0.795 616 P CB 0.672 32.237 31.700 -0.224 0.000 1.038 617 S N -0.189 115.354 115.700 -0.263 0.000 2.584 617 S HA 0.250 4.721 4.470 0.001 0.000 0.270 617 S C 0.005 174.463 174.600 -0.236 0.000 1.346 617 S CA -0.082 57.986 58.200 -0.220 0.000 1.018 617 S CB -0.345 62.819 63.200 -0.059 0.000 0.899 617 S HN 0.172 nan 8.310 nan 0.000 0.542 618 F N 1.281 121.217 119.950 -0.024 0.000 2.389 618 F HA 0.291 4.819 4.527 0.001 0.000 0.337 618 F C 1.644 177.430 175.800 -0.023 0.000 1.112 618 F CA -0.038 57.951 58.000 -0.019 0.000 1.192 618 F CB 1.079 40.069 39.000 -0.016 0.000 1.185 618 F HN 0.688 nan 8.300 nan 0.000 0.552 619 S N -1.765 114.041 115.700 0.176 0.000 2.648 619 S HA 0.131 4.602 4.470 0.001 0.000 0.270 619 S C 0.251 174.885 174.600 0.055 0.000 1.082 619 S CA -0.205 58.047 58.200 0.085 0.000 1.116 619 S CB -0.001 63.229 63.200 0.050 0.000 1.040 619 S HN 0.431 nan 8.310 nan 0.000 0.572 620 T N 5.105 119.704 114.554 0.076 0.000 2.733 620 T HA 0.524 4.874 4.350 0.001 0.000 0.294 620 T C -2.939 171.759 174.700 -0.004 0.000 0.956 620 T CA -1.202 60.919 62.100 0.034 0.000 0.987 620 T CB 1.149 70.045 68.868 0.046 0.000 0.920 620 T HN 0.090 nan 8.240 nan 0.000 0.470 621 P HA 0.135 nan 4.420 nan 0.000 0.263 621 P C -0.273 176.984 177.300 -0.071 0.000 1.195 621 P CA -0.026 63.020 63.100 -0.089 0.000 0.762 621 P CB 0.306 31.952 31.700 -0.089 0.000 0.799 622 N N 2.781 121.419 118.700 -0.104 0.000 2.621 622 N HA 0.065 4.805 4.740 0.001 0.000 0.271 622 N C -0.268 175.184 175.510 -0.097 0.000 1.181 622 N CA -0.210 52.791 53.050 -0.082 0.000 0.805 622 N CB 0.564 39.007 38.487 -0.073 0.000 1.351 622 N HN 0.109 nan 8.380 nan 0.000 0.539 623 D N 1.195 121.558 120.400 -0.062 0.000 2.378 623 D HA -0.050 4.590 4.640 0.001 0.000 0.227 623 D C 0.152 176.427 176.300 -0.042 0.000 1.012 623 D CA 0.591 54.564 54.000 -0.045 0.000 0.905 623 D CB 0.490 41.279 40.800 -0.019 0.000 0.895 623 D HN 0.544 nan 8.370 nan 0.000 0.532 624 D N -0.282 120.090 120.400 -0.046 0.000 2.323 624 D HA 0.066 4.707 4.640 0.001 0.000 0.209 624 D C 2.016 178.285 176.300 -0.051 0.000 0.973 624 D CA 0.310 54.288 54.000 -0.036 0.000 0.874 624 D CB 0.429 41.214 40.800 -0.024 0.000 0.930 624 D HN 0.272 nan 8.370 nan 0.000 0.521 625 I N -0.988 119.529 120.570 -0.089 0.000 2.899 625 I HA 0.300 4.470 4.170 0.001 0.000 0.257 625 I C 1.210 177.246 176.117 -0.135 0.000 1.115 625 I CA 0.372 61.593 61.300 -0.132 0.000 1.451 625 I CB 0.383 38.236 38.000 -0.246 0.000 1.251 625 I HN 0.047 nan 8.210 nan 0.000 0.456 626 G N -0.392 108.322 108.800 -0.142 0.000 2.368 626 G HA2 -0.089 3.872 3.960 0.001 0.000 0.302 626 G HA3 -0.089 3.872 3.960 0.001 0.000 0.302 626 G C -0.483 174.378 174.900 -0.065 0.000 1.329 626 G CA -0.556 44.498 45.100 -0.076 0.000 0.935 626 G HN -0.045 nan 8.290 nan 0.000 0.590 627 F N 0.090 119.964 119.950 -0.128 0.000 2.408 627 F HA 0.057 4.585 4.527 0.001 0.000 0.300 627 F C 2.594 178.320 175.800 -0.122 0.000 1.090 627 F CA 2.049 59.982 58.000 -0.112 0.000 1.427 627 F CB 0.179 39.127 39.000 -0.087 0.000 1.070 627 F HN 0.364 nan 8.300 nan 0.000 0.549 628 V N 0.224 120.086 119.914 -0.087 0.000 2.568 628 V HA -0.278 3.842 4.120 0.001 0.000 0.253 628 V C 2.242 178.203 176.094 -0.221 0.000 1.072 628 V CA 2.562 64.790 62.300 -0.120 0.000 1.084 628 V CB -0.848 30.924 31.823 -0.084 0.000 0.676 628 V HN 0.601 nan 8.190 nan 0.000 0.469 629 T N -2.906 111.427 114.554 -0.370 0.000 3.160 629 T HA 0.010 4.361 4.350 0.001 0.000 0.257 629 T C 1.510 176.058 174.700 -0.252 0.000 1.147 629 T CA 0.650 62.569 62.100 -0.301 0.000 1.064 629 T CB -0.334 68.329 68.868 -0.342 0.000 0.949 629 T HN 0.576 nan 8.240 nan 0.000 0.526 630 R N 0.133 120.374 120.500 -0.432 0.000 2.508 630 R HA 0.401 4.741 4.340 0.001 0.000 0.300 630 R C -0.574 175.404 176.300 -0.537 0.000 0.970 630 R CA -0.205 55.571 56.100 -0.541 0.000 1.102 630 R CB 1.016 30.794 30.300 -0.870 0.000 1.246 630 R HN 0.263 nan 8.270 nan 0.000 0.539 631 V N 1.029 120.731 119.914 -0.353 0.000 2.617 631 V HA 0.208 4.329 4.120 0.001 0.000 0.298 631 V C 0.133 176.179 176.094 -0.080 0.000 1.048 631 V CA -0.868 61.303 62.300 -0.215 0.000 0.964 631 V CB 1.179 32.962 31.823 -0.067 0.000 1.004 631 V HN 0.113 nan 8.190 nan 0.000 0.466 632 Y N 1.974 122.284 120.300 0.016 0.000 2.702 632 Y HA -0.015 4.535 4.550 0.001 0.000 0.336 632 Y C 1.211 177.153 175.900 0.071 0.000 1.235 632 Y CA 0.149 58.284 58.100 0.057 0.000 1.492 632 Y CB 0.291 38.815 38.460 0.106 0.000 1.308 632 Y HN 0.564 nan 8.280 nan 0.000 0.589 633 Q N 1.499 121.459 119.800 0.267 0.000 2.311 633 Q HA 0.168 4.509 4.340 0.001 0.000 0.272 633 Q C 0.958 177.068 176.000 0.183 0.000 1.012 633 Q CA 0.735 56.637 55.803 0.166 0.000 0.891 633 Q CB 0.709 29.510 28.738 0.105 0.000 1.201 633 Q HN 1.042 nan 8.270 nan 0.000 0.391 634 G N 1.372 110.261 108.800 0.148 0.000 2.148 634 G HA2 -0.238 3.722 3.960 0.001 0.000 0.254 634 G HA3 -0.238 3.722 3.960 0.001 0.000 0.254 634 G C -0.111 174.888 174.900 0.166 0.000 0.981 634 G CA 0.080 45.286 45.100 0.177 0.000 0.670 634 G HN 0.453 nan 8.290 nan 0.000 0.528 635 V N 0.364 120.345 119.914 0.111 0.000 2.604 635 V HA 0.718 4.839 4.120 0.001 0.000 0.305 635 V C 1.106 177.065 176.094 -0.225 0.000 1.043 635 V CA -0.547 61.738 62.300 -0.025 0.000 0.888 635 V CB 1.799 33.675 31.823 0.089 0.000 0.995 635 V HN 0.444 nan 8.190 nan 0.000 0.429 636 K N 2.578 122.464 120.400 -0.857 0.000 1.931 636 K HA -0.308 4.012 4.320 0.001 0.000 0.126 636 K C 1.261 177.870 176.600 0.015 0.000 1.372 636 K CA 1.963 57.856 56.287 -0.657 0.000 0.483 636 K CB -0.714 31.604 32.500 -0.303 0.000 0.562 636 K HN 0.881 nan 8.250 nan 0.000 0.923 637 E N 1.204 121.444 120.200 0.066 0.000 2.409 637 E HA -0.065 4.286 4.350 0.001 0.000 0.198 637 E C 0.552 177.207 176.600 0.092 0.000 1.024 637 E CA 0.566 56.965 56.400 -0.001 0.000 0.861 637 E CB -0.187 29.447 29.700 -0.109 0.000 0.788 637 E HN 0.288 nan 8.360 nan 0.000 0.521 638 N N 0.107 118.868 118.700 0.102 0.000 2.949 638 N HA 0.196 4.937 4.740 0.001 0.000 0.243 638 N C 0.073 175.659 175.510 0.127 0.000 1.113 638 N CA 0.411 53.555 53.050 0.158 0.000 0.980 638 N CB 0.292 38.874 38.487 0.159 0.000 1.256 638 N HN 0.117 nan 8.380 nan 0.000 0.508 639 G N 1.061 109.931 108.800 0.116 0.000 2.143 639 G HA2 -0.177 3.783 3.960 0.001 0.000 0.249 639 G HA3 -0.177 3.783 3.960 0.001 0.000 0.249 639 G C 0.305 175.343 174.900 0.230 0.000 0.981 639 G CA 0.249 45.415 45.100 0.110 0.000 0.665 639 G HN 0.857 nan 8.290 nan 0.000 0.528 640 A N -0.659 122.286 122.820 0.209 0.000 2.239 640 A HA 0.826 5.146 4.320 0.001 0.000 0.303 640 A C 0.500 178.185 177.584 0.168 0.000 1.114 640 A CA -0.537 51.632 52.037 0.219 0.000 0.871 640 A CB 0.619 19.730 19.000 0.186 0.000 1.201 640 A HN 0.711 nan 8.150 nan 0.000 0.506 641 I N 0.923 121.527 120.570 0.056 0.000 2.256 641 I HA 0.122 4.293 4.170 0.001 0.000 0.294 641 I C -0.940 175.237 176.117 0.100 0.000 1.127 641 I CA 0.304 61.578 61.300 -0.043 0.000 1.247 641 I CB -0.321 37.581 38.000 -0.164 0.000 1.460 641 I HN 0.469 nan 8.210 nan 0.000 0.511 642 F N 4.714 124.691 119.950 0.045 0.000 2.438 642 F HA 0.115 4.643 4.527 0.001 0.000 0.360 642 F C 1.680 177.485 175.800 0.008 0.000 1.118 642 F CA 0.351 58.413 58.000 0.103 0.000 1.164 642 F CB 1.033 40.129 39.000 0.160 0.000 1.131 642 F HN 0.443 nan 8.300 nan 0.000 0.527 643 S N 2.746 118.451 115.700 0.008 0.000 2.359 643 S HA -0.291 4.179 4.470 0.001 0.000 0.224 643 S C 1.933 176.446 174.600 -0.145 0.000 1.035 643 S CA 1.626 59.794 58.200 -0.053 0.000 1.018 643 S CB -0.594 62.576 63.200 -0.051 0.000 0.876 643 S HN 0.888 nan 8.310 nan 0.000 0.448 644 H N 2.404 121.415 119.070 -0.099 0.000 2.292 644 H HA -0.117 4.439 4.556 0.001 0.000 0.292 644 H C -1.095 173.648 175.328 -0.975 0.000 1.100 644 H CA 2.280 58.158 56.048 -0.283 0.000 1.238 644 H CB -0.858 28.997 29.762 0.154 0.000 1.355 644 H HN 0.324 nan 8.280 nan 0.000 0.484 645 P HA -0.039 nan 4.420 nan 0.000 0.233 645 P C 0.778 177.449 177.300 -1.048 0.000 1.167 645 P CA 0.914 62.975 63.100 -1.732 0.000 0.770 645 P CB 0.089 31.007 31.700 -1.305 0.000 0.837 646 N N 0.068 118.319 118.700 -0.748 0.000 2.069 646 N HA -0.109 4.632 4.740 0.001 0.000 0.191 646 N C -0.878 173.954 175.510 -1.130 0.000 1.031 646 N CA 1.655 54.326 53.050 -0.632 0.000 0.852 646 N CB -1.390 36.894 38.487 -0.339 0.000 1.018 646 N HN 0.226 nan 8.380 nan 0.000 0.423 647 P HA -0.106 nan 4.420 nan 0.000 0.219 647 P C 0.826 177.720 177.300 -0.678 0.000 1.146 647 P CA 0.899 63.026 63.100 -1.622 0.000 0.808 647 P CB -0.157 30.973 31.700 -0.950 0.000 0.779 648 W N -0.007 120.813 121.300 -0.801 0.000 2.374 648 W HA 0.045 4.706 4.660 0.001 0.000 0.288 648 W C 2.419 178.705 176.519 -0.389 0.000 1.218 648 W CA 0.713 57.660 57.345 -0.663 0.000 1.245 648 W CB -1.909 27.134 29.460 -0.696 0.000 1.126 648 W HN -0.026 nan 8.180 nan 0.000 0.545 649 A N -0.470 122.278 122.820 -0.120 0.000 1.930 649 A HA -0.139 4.181 4.320 0.001 0.000 0.217 649 A C 1.790 179.561 177.584 0.312 0.000 1.175 649 A CA 1.422 53.493 52.037 0.056 0.000 0.627 649 A CB -1.231 17.737 19.000 -0.053 0.000 0.815 649 A HN 0.240 nan 8.150 nan 0.000 0.443 650 W N -0.013 121.368 121.300 0.135 0.000 2.355 650 W HA -0.079 4.581 4.660 0.001 0.000 0.309 650 W C 2.255 178.787 176.519 0.022 0.000 1.206 650 W CA 0.777 58.206 57.345 0.140 0.000 1.284 650 W CB -1.623 27.923 29.460 0.143 0.000 1.145 650 W HN 0.152 nan 8.180 nan 0.000 0.502 651 V N 1.191 121.189 119.914 0.140 0.000 2.295 651 V HA -0.287 3.834 4.120 0.001 0.000 0.246 651 V C 2.612 178.631 176.094 -0.125 0.000 1.049 651 V CA 2.424 64.634 62.300 -0.150 0.000 1.024 651 V CB -1.647 29.907 31.823 -0.447 0.000 0.648 651 V HN 0.148 nan 8.190 nan 0.000 0.447 652 A N -0.396 122.381 122.820 -0.071 0.000 1.883 652 A HA -0.244 4.077 4.320 0.001 0.000 0.217 652 A C 2.199 179.793 177.584 0.017 0.000 1.186 652 A CA 1.880 53.888 52.037 -0.048 0.000 0.624 652 A CB -0.489 18.502 19.000 -0.014 0.000 0.822 652 A HN 0.516 nan 8.150 nan 0.000 0.444 653 E N -0.348 119.904 120.200 0.087 0.000 2.110 653 E HA -0.146 4.204 4.350 0.001 0.000 0.193 653 E C 2.348 178.956 176.600 0.014 0.000 0.988 653 E CA 1.817 58.254 56.400 0.061 0.000 0.804 653 E CB -0.836 28.908 29.700 0.073 0.000 0.745 653 E HN 0.859 nan 8.360 nan 0.000 0.458 654 T N -0.942 113.628 114.554 0.026 0.000 2.867 654 T HA -0.059 4.291 4.350 0.001 0.000 0.268 654 T C 1.764 176.482 174.700 0.029 0.000 1.057 654 T CA 0.877 62.990 62.100 0.023 0.000 1.136 654 T CB -0.044 68.872 68.868 0.080 0.000 0.874 654 T HN 0.051 nan 8.240 nan 0.000 0.466 655 K N 0.751 121.163 120.400 0.019 0.000 2.211 655 K HA 0.183 4.504 4.320 0.001 0.000 0.203 655 K C 1.983 178.590 176.600 0.011 0.000 1.050 655 K CA 0.765 57.065 56.287 0.021 0.000 0.945 655 K CB -0.239 32.255 32.500 -0.009 0.000 0.732 655 K HN 0.398 nan 8.250 nan 0.000 0.451 656 L N -0.265 120.960 121.223 0.004 0.000 2.558 656 L HA 0.093 4.434 4.340 0.001 0.000 0.225 656 L C 1.013 177.880 176.870 -0.007 0.000 1.128 656 L CA 0.286 55.128 54.840 0.002 0.000 0.868 656 L CB -0.013 42.051 42.059 0.009 0.000 1.006 656 L HN 0.369 nan 8.230 nan 0.000 0.454 657 G N 1.204 109.997 108.800 -0.011 0.000 2.147 657 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 657 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 657 G C 0.265 175.137 174.900 -0.047 0.000 1.005 657 G CA -0.233 44.853 45.100 -0.023 0.000 0.713 657 G HN 0.429 nan 8.290 nan 0.000 0.515 658 R N 0.336 120.801 120.500 -0.059 0.000 2.790 658 R HA 0.433 4.773 4.340 0.001 0.000 0.274 658 R C 1.750 177.965 176.300 -0.142 0.000 1.334 658 R CA 0.025 56.068 56.100 -0.095 0.000 1.543 658 R CB 0.703 30.950 30.300 -0.090 0.000 1.154 658 R HN 0.231 nan 8.270 nan 0.000 0.601 659 G N 1.362 110.065 108.800 -0.163 0.000 2.432 659 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 659 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 659 G C 0.915 175.637 174.900 -0.296 0.000 1.135 659 G CA 0.517 45.474 45.100 -0.238 0.000 0.767 659 G HN 0.431 nan 8.290 nan 0.000 0.550 660 D N 0.223 120.469 120.400 -0.258 0.000 2.144 660 D HA -0.079 4.562 4.640 0.001 0.000 0.200 660 D C 2.584 178.688 176.300 -0.327 0.000 0.978 660 D CA 0.768 54.609 54.000 -0.264 0.000 0.833 660 D CB 0.048 40.729 40.800 -0.198 0.000 0.961 660 D HN 0.138 nan 8.370 nan 0.000 0.470 661 R N 1.381 121.667 120.500 -0.357 0.000 2.075 661 R HA -0.046 4.294 4.340 0.001 0.000 0.232 661 R C 2.077 177.942 176.300 -0.725 0.000 1.126 661 R CA 1.575 57.331 56.100 -0.574 0.000 0.963 661 R CB -0.717 29.310 30.300 -0.456 0.000 0.858 661 R HN 0.056 nan 8.270 nan 0.000 0.435 662 A N 0.008 122.591 122.820 -0.396 0.000 1.902 662 A HA -0.183 4.137 4.320 0.001 0.000 0.217 662 A C 2.130 179.535 177.584 -0.298 0.000 1.181 662 A CA 1.857 53.759 52.037 -0.225 0.000 0.623 662 A CB -0.550 18.378 19.000 -0.120 0.000 0.818 662 A HN 0.411 nan 8.150 nan 0.000 0.443 663 M N -0.207 119.197 119.600 -0.327 0.000 2.229 663 M HA -0.036 4.445 4.480 0.001 0.000 0.264 663 M C 1.886 178.089 176.300 -0.162 0.000 1.063 663 M CA 1.841 56.986 55.300 -0.258 0.000 1.114 663 M CB -0.418 32.020 32.600 -0.269 0.000 1.387 663 M HN 0.461 nan 8.290 nan 0.000 0.420 664 K N -0.839 119.403 120.400 -0.263 0.000 2.057 664 K HA -0.160 4.160 4.320 0.001 0.000 0.207 664 K C 1.630 178.252 176.600 0.037 0.000 1.049 664 K CA 1.537 57.704 56.287 -0.201 0.000 0.931 664 K CB -0.188 32.042 32.500 -0.449 0.000 0.714 664 K HN 0.243 nan 8.250 nan 0.000 0.440 665 F N 0.081 120.014 119.950 -0.030 0.000 2.146 665 F HA -0.140 4.387 4.527 0.001 0.000 0.298 665 F C 2.361 178.197 175.800 0.060 0.000 1.096 665 F CA 0.688 58.798 58.000 0.185 0.000 1.275 665 F CB -1.347 37.845 39.000 0.320 0.000 1.008 665 F HN 0.119 nan 8.300 nan 0.000 0.480 666 Y N 1.403 121.490 120.300 -0.354 0.000 2.145 666 Y HA -0.250 4.301 4.550 0.001 0.000 0.286 666 Y C 2.176 177.971 175.900 -0.176 0.000 1.145 666 Y CA 1.963 59.632 58.100 -0.718 0.000 1.148 666 Y CB -0.574 37.308 38.460 -0.964 0.000 0.981 666 Y HN -0.036 nan 8.280 nan 0.000 0.507 667 D N 0.049 120.424 120.400 -0.040 0.000 2.144 667 D HA -0.165 4.475 4.640 0.001 0.000 0.199 667 D C 2.244 178.541 176.300 -0.006 0.000 0.984 667 D CA 1.399 55.387 54.000 -0.019 0.000 0.834 667 D CB -0.547 40.298 40.800 0.075 0.000 0.955 667 D HN 0.499 nan 8.370 nan 0.000 0.465 668 A N 0.248 123.136 122.820 0.113 0.000 1.969 668 A HA -0.093 4.227 4.320 0.001 0.000 0.218 668 A C 2.110 179.734 177.584 0.067 0.000 1.169 668 A CA 0.848 52.961 52.037 0.126 0.000 0.635 668 A CB -0.389 18.796 19.000 0.308 0.000 0.810 668 A HN 0.242 nan 8.150 nan 0.000 0.445 669 L N -0.546 120.740 121.223 0.105 0.000 2.416 669 L HA 0.209 4.550 4.340 0.001 0.000 0.216 669 L C 0.617 177.517 176.870 0.050 0.000 1.098 669 L CA 0.190 55.117 54.840 0.144 0.000 0.840 669 L CB -0.311 41.957 42.059 0.348 0.000 0.981 669 L HN 0.316 nan 8.230 nan 0.000 0.462 670 N N 0.702 119.311 118.700 -0.151 0.000 2.417 670 N HA -0.029 4.711 4.740 0.001 0.000 0.272 670 N C -1.774 173.611 175.510 -0.208 0.000 1.304 670 N CA -1.155 51.722 53.050 -0.289 0.000 0.906 670 N CB 1.070 39.297 38.487 -0.434 0.000 1.135 670 N HN 0.053 nan 8.380 nan 0.000 0.483 671 P HA -0.171 nan 4.420 nan 0.000 0.216 671 P C 0.966 178.191 177.300 -0.125 0.000 1.150 671 P CA 1.121 64.047 63.100 -0.290 0.000 0.843 671 P CB -0.096 31.316 31.700 -0.481 0.000 0.787 672 Y N 0.990 121.164 120.300 -0.211 0.000 2.151 672 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 672 Y C 1.708 177.566 175.900 -0.070 0.000 1.166 672 Y CA 1.685 59.684 58.100 -0.169 0.000 1.163 672 Y CB -0.805 37.425 38.460 -0.384 0.000 0.974 672 Y HN -0.070 nan 8.280 nan 0.000 0.511 673 N N 0.380 119.138 118.700 0.097 0.000 2.550 673 N HA -0.107 4.634 4.740 0.001 0.000 0.186 673 N C 0.585 176.077 175.510 -0.031 0.000 1.110 673 N CA 1.065 54.140 53.050 0.042 0.000 0.912 673 N CB -0.130 38.397 38.487 0.066 0.000 0.968 673 N HN 0.649 nan 8.380 nan 0.000 0.448 674 Q N -0.266 119.504 119.800 -0.050 0.000 2.188 674 Q HA 0.185 4.526 4.340 0.001 0.000 0.212 674 Q C 1.040 177.025 176.000 -0.025 0.000 0.846 674 Q CA -0.295 55.486 55.803 -0.036 0.000 0.989 674 Q CB 0.236 28.951 28.738 -0.040 0.000 1.114 674 Q HN 0.301 nan 8.270 nan 0.000 0.488 675 N N 1.290 119.970 118.700 -0.033 0.000 2.272 675 N HA -0.181 4.560 4.740 0.001 0.000 0.185 675 N C 0.438 176.000 175.510 0.086 0.000 1.014 675 N CA 1.183 54.255 53.050 0.037 0.000 0.870 675 N CB 0.277 38.792 38.487 0.048 0.000 0.975 675 N HN 0.157 nan 8.380 nan 0.000 0.433 676 D N -0.068 120.358 120.400 0.044 0.000 2.559 676 D HA 0.116 4.756 4.640 0.001 0.000 0.234 676 D C 0.448 176.779 176.300 0.051 0.000 1.226 676 D CA -0.215 53.814 54.000 0.049 0.000 0.830 676 D CB -0.092 40.718 40.800 0.017 0.000 1.028 676 D HN 0.497 nan 8.370 nan 0.000 0.492 677 I N -2.819 117.793 120.570 0.069 0.000 3.241 677 I HA 0.238 4.408 4.170 0.001 0.000 0.333 677 I C 0.496 176.676 176.117 0.104 0.000 1.534 677 I CA -0.443 60.902 61.300 0.075 0.000 0.979 677 I CB 0.362 38.402 38.000 0.066 0.000 1.497 677 I HN -0.254 nan 8.210 nan 0.000 0.530 678 I N 2.579 123.247 120.570 0.163 0.000 2.423 678 I HA -0.214 3.956 4.170 0.001 0.000 0.254 678 I C 2.820 179.036 176.117 0.164 0.000 1.151 678 I CA 1.425 62.858 61.300 0.221 0.000 1.421 678 I CB -1.087 37.175 38.000 0.436 0.000 1.079 678 I HN 0.624 nan 8.210 nan 0.000 0.431 679 E N 1.859 122.150 120.200 0.151 0.000 2.267 679 E HA -0.234 4.117 4.350 0.001 0.000 0.197 679 E C 1.616 178.249 176.600 0.056 0.000 0.998 679 E CA 1.278 57.740 56.400 0.105 0.000 0.830 679 E CB -0.206 29.546 29.700 0.086 0.000 0.751 679 E HN 0.523 nan 8.360 nan 0.000 0.491 680 K N 0.064 120.493 120.400 0.049 0.000 2.240 680 K HA 0.140 4.460 4.320 0.001 0.000 0.202 680 K C 2.451 179.015 176.600 -0.060 0.000 1.053 680 K CA 0.196 56.483 56.287 0.001 0.000 0.973 680 K CB 0.199 32.724 32.500 0.042 0.000 0.924 680 K HN -0.050 nan 8.250 nan 0.000 0.477 681 R N 1.086 121.570 120.500 -0.025 0.000 2.075 681 R HA -0.105 4.235 4.340 0.001 0.000 0.232 681 R C 0.997 177.254 176.300 -0.072 0.000 1.126 681 R CA 1.640 57.692 56.100 -0.080 0.000 0.963 681 R CB 0.053 30.323 30.300 -0.049 0.000 0.858 681 R HN 0.136 nan 8.270 nan 0.000 0.435 682 I N -1.882 118.697 120.570 0.016 0.000 4.519 682 I HA -0.365 3.805 4.170 0.001 0.000 0.056 682 I C 0.816 177.038 176.117 0.175 0.000 0.610 682 I CA 1.648 62.984 61.300 0.061 0.000 0.951 682 I CB -2.401 35.596 38.000 -0.004 0.000 0.858 682 I HN 0.354 nan 8.210 nan 0.000 0.164 683 A N 1.549 124.368 122.820 -0.003 0.000 2.346 683 A HA 0.336 4.657 4.320 0.001 0.000 0.252 683 A C 0.510 177.754 177.584 -0.568 0.000 1.089 683 A CA 0.023 51.978 52.037 -0.137 0.000 0.797 683 A CB -0.063 18.797 19.000 -0.234 0.000 1.047 683 A HN 0.380 nan 8.150 nan 0.000 0.494 684 E N 1.404 120.901 120.200 -1.171 0.000 2.652 684 E HA 0.037 4.388 4.350 0.001 0.000 0.255 684 E C -1.696 174.001 176.600 -1.505 0.000 0.952 684 E CA -0.321 54.836 56.400 -2.071 0.000 0.947 684 E CB 0.273 28.685 29.700 -2.147 0.000 0.912 684 E HN 0.405 nan 8.360 nan 0.000 0.489 685 P HA -0.091 nan 4.420 nan 0.000 0.245 685 P C -0.255 176.702 177.300 -0.572 0.000 1.212 685 P CA 0.737 63.370 63.100 -0.778 0.000 0.774 685 P CB 0.018 31.414 31.700 -0.507 0.000 0.999 686 Y N -2.989 116.829 120.300 -0.803 0.000 2.481 686 Y HA 0.609 5.159 4.550 0.001 0.000 0.247 686 Y C 0.472 176.039 175.900 -0.556 0.000 1.151 686 Y CA -1.130 56.599 58.100 -0.618 0.000 1.238 686 Y CB -0.262 37.488 38.460 -1.184 0.000 1.179 686 Y HN -0.215 nan 8.280 nan 0.000 0.524 687 S N 0.013 115.224 115.700 -0.815 0.000 2.538 687 S HA 0.496 4.966 4.470 0.001 0.000 0.288 687 S C -1.356 172.908 174.600 -0.560 0.000 1.108 687 S CA -0.583 57.186 58.200 -0.718 0.000 0.971 687 S CB 0.543 63.127 63.200 -1.026 0.000 1.041 687 S HN 0.193 nan 8.310 nan 0.000 0.483 688 Y N 2.285 122.413 120.300 -0.288 0.000 2.379 688 Y HA 0.401 4.952 4.550 0.001 0.000 0.337 688 Y C 0.843 176.616 175.900 -0.212 0.000 1.238 688 Y CA 0.020 58.005 58.100 -0.191 0.000 1.405 688 Y CB 0.818 39.223 38.460 -0.091 0.000 1.310 688 Y HN 0.512 nan 8.280 nan 0.000 0.569 689 V N 0.161 120.063 119.914 -0.020 0.000 3.113 689 V HA 0.378 4.499 4.120 0.001 0.000 0.316 689 V C 0.671 176.704 176.094 -0.102 0.000 1.125 689 V CA -0.912 61.327 62.300 -0.101 0.000 1.026 689 V CB 1.784 33.475 31.823 -0.220 0.000 1.080 689 V HN 0.861 nan 8.190 nan 0.000 0.444 690 Q N 0.831 120.554 119.800 -0.129 0.000 2.020 690 Q HA 0.046 4.387 4.340 0.001 0.000 0.202 690 Q C 0.217 175.979 176.000 -0.396 0.000 0.982 690 Q CA 2.250 57.933 55.803 -0.200 0.000 0.838 690 Q CB 0.084 28.780 28.738 -0.069 0.000 0.899 690 Q HN 0.884 nan 8.270 nan 0.000 0.423 691 F N -1.928 117.698 119.950 -0.540 0.000 2.678 691 F HA 0.585 5.112 4.527 0.001 0.000 0.308 691 F C -1.731 173.873 175.800 -0.326 0.000 1.118 691 F CA -1.528 56.178 58.000 -0.490 0.000 0.959 691 F CB 0.977 39.616 39.000 -0.603 0.000 1.305 691 F HN -0.202 nan 8.300 nan 0.000 0.443 692 I N 3.939 124.397 120.570 -0.186 0.000 2.474 692 I HA 0.337 4.507 4.170 0.001 0.000 0.294 692 I C -0.166 175.932 176.117 -0.030 0.000 1.005 692 I CA -0.901 60.237 61.300 -0.269 0.000 1.113 692 I CB 1.734 39.594 38.000 -0.234 0.000 1.289 692 I HN 0.546 nan 8.210 nan 0.000 0.436 693 M N 3.996 123.545 119.600 -0.085 0.000 2.261 693 M HA 0.094 4.574 4.480 0.001 0.000 0.350 693 M C 0.788 177.222 176.300 0.224 0.000 1.343 693 M CA 0.421 55.779 55.300 0.097 0.000 1.003 693 M CB -0.440 32.154 32.600 -0.009 0.000 1.848 693 M HN 0.816 nan 8.290 nan 0.000 0.456 694 G N 2.422 111.380 108.800 0.263 0.000 2.616 694 G HA2 0.247 4.207 3.960 0.001 0.000 0.268 694 G HA3 0.247 4.207 3.960 0.001 0.000 0.268 694 G C 0.794 175.759 174.900 0.108 0.000 1.213 694 G CA -0.447 44.844 45.100 0.319 0.000 0.926 694 G HN 0.819 nan 8.290 nan 0.000 0.523 695 R N -0.563 119.847 120.500 -0.150 0.000 2.170 695 R HA -0.089 4.251 4.340 0.001 0.000 0.242 695 R C 1.533 177.713 176.300 -0.201 0.000 1.145 695 R CA 1.869 57.620 56.100 -0.581 0.000 0.984 695 R CB -0.222 29.814 30.300 -0.439 0.000 0.869 695 R HN 0.544 nan 8.270 nan 0.000 0.455 696 D N -0.853 119.506 120.400 -0.068 0.000 2.363 696 D HA -0.089 4.551 4.640 0.001 0.000 0.220 696 D C -0.092 176.233 176.300 0.041 0.000 0.994 696 D CA 0.628 54.617 54.000 -0.018 0.000 0.890 696 D CB -0.067 40.732 40.800 -0.003 0.000 0.906 696 D HN 0.327 nan 8.370 nan 0.000 0.530 697 H N 1.184 120.258 119.070 0.008 0.000 2.472 697 H HA 0.087 4.643 4.556 0.001 0.000 0.338 697 H C 1.134 176.480 175.328 0.030 0.000 1.133 697 H CA -0.185 55.875 56.048 0.020 0.000 1.216 697 H CB 1.564 31.357 29.762 0.051 0.000 1.497 697 H HN -0.056 nan 8.280 nan 0.000 0.500 698 Q N 2.190 121.814 119.800 -0.295 0.000 2.297 698 Q HA -0.113 4.228 4.340 0.001 0.000 0.208 698 Q C -0.204 175.862 176.000 0.111 0.000 0.981 698 Q CA 1.502 57.255 55.803 -0.083 0.000 0.876 698 Q CB 0.222 28.858 28.738 -0.171 0.000 0.921 698 Q HN 0.443 nan 8.270 nan 0.000 0.446 699 D N 0.678 121.298 120.400 0.366 0.000 2.336 699 D HA 0.006 4.646 4.640 0.001 0.000 0.228 699 D C -0.477 175.892 176.300 0.116 0.000 1.120 699 D CA -0.097 54.036 54.000 0.221 0.000 0.839 699 D CB -0.357 40.557 40.800 0.190 0.000 0.932 699 D HN 0.328 nan 8.370 nan 0.000 0.509 700 H N 0.535 119.633 119.070 0.046 0.000 3.214 700 H HA 0.127 4.684 4.556 0.001 0.000 0.291 700 H C 1.535 176.670 175.328 -0.322 0.000 0.926 700 H CA 1.508 57.514 56.048 -0.069 0.000 1.409 700 H CB 0.035 29.814 29.762 0.028 0.000 1.406 700 H HN 0.301 nan 8.280 nan 0.000 0.561 701 G N 3.781 112.050 108.800 -0.885 0.000 2.278 701 G HA2 -0.248 3.712 3.960 0.001 0.000 0.210 701 G HA3 -0.248 3.712 3.960 0.001 0.000 0.210 701 G C 0.587 175.047 174.900 -0.733 0.000 1.000 701 G CA -0.034 44.146 45.100 -1.533 0.000 0.635 701 G HN 0.852 nan 8.290 nan 0.000 0.495 702 R N 1.468 121.717 120.500 -0.419 0.000 2.401 702 R HA 0.605 4.946 4.340 0.001 0.000 0.299 702 R C 0.557 176.636 176.300 -0.368 0.000 1.064 702 R CA 0.510 56.430 56.100 -0.299 0.000 1.000 702 R CB 0.351 30.530 30.300 -0.202 0.000 0.973 702 R HN 0.585 nan 8.270 nan 0.000 0.438 703 A N 4.652 127.270 122.820 -0.336 0.000 2.331 703 A HA 0.347 4.667 4.320 0.001 0.000 0.283 703 A C -0.994 176.322 177.584 -0.447 0.000 1.142 703 A CA -0.715 51.085 52.037 -0.395 0.000 0.812 703 A CB 0.633 19.453 19.000 -0.301 0.000 1.074 703 A HN 0.923 nan 8.150 nan 0.000 0.497 704 N N 0.524 118.816 118.700 -0.679 0.000 2.295 704 N HA 0.574 5.314 4.740 0.001 0.000 0.293 704 N C -1.520 173.690 175.510 -0.500 0.000 1.040 704 N CA -0.661 51.982 53.050 -0.679 0.000 0.840 704 N CB 1.074 38.816 38.487 -1.242 0.000 1.468 704 N HN 0.816 nan 8.380 nan 0.000 0.478 705 H N -1.425 117.554 119.070 -0.152 0.000 3.190 705 H HA -0.118 4.439 4.556 0.001 0.000 0.360 705 H C -2.617 172.689 175.328 -0.036 0.000 1.196 705 H CA -0.685 55.341 56.048 -0.037 0.000 1.178 705 H CB -1.139 28.625 29.762 0.003 0.000 1.579 705 H HN 0.436 nan 8.280 nan 0.000 0.416 706 P HA -0.068 nan 4.420 nan 0.000 0.279 706 P C 0.673 178.081 177.300 0.180 0.000 1.282 706 P CA 0.083 63.185 63.100 0.002 0.000 0.788 706 P CB 1.059 32.700 31.700 -0.099 0.000 1.139 707 W N -2.229 119.030 121.300 -0.069 0.000 1.673 707 W HA -0.288 4.373 4.660 0.001 0.000 0.287 707 W C 1.077 177.533 176.519 -0.105 0.000 1.857 707 W CA 0.848 58.138 57.345 -0.093 0.000 2.204 707 W CB -2.202 27.220 29.460 -0.064 0.000 0.958 707 W HN 0.148 nan 8.180 nan 0.000 0.446 708 L N 1.836 123.182 121.223 0.205 0.000 2.533 708 L HA 0.320 4.661 4.340 0.001 0.000 0.239 708 L C 0.561 177.461 176.870 0.049 0.000 1.376 708 L CA 0.715 55.593 54.840 0.064 0.000 1.240 708 L CB -0.967 41.093 42.059 0.002 0.000 1.487 708 L HN 0.045 nan 8.230 nan 0.000 0.419 709 T N -1.405 113.193 114.554 0.073 0.000 2.876 709 T HA 0.434 4.785 4.350 0.001 0.000 0.289 709 T C 1.194 175.974 174.700 0.132 0.000 1.014 709 T CA -0.182 61.983 62.100 0.108 0.000 0.986 709 T CB 1.939 70.868 68.868 0.101 0.000 1.021 709 T HN 0.394 nan 8.240 nan 0.000 0.458 710 G N 2.161 111.114 108.800 0.255 0.000 2.708 710 G HA2 -0.054 3.907 3.960 0.001 0.000 0.210 710 G HA3 -0.054 3.907 3.960 0.001 0.000 0.210 710 G C 1.239 176.180 174.900 0.068 0.000 1.141 710 G CA 1.034 46.303 45.100 0.281 0.000 0.788 710 G HN 0.799 nan 8.290 nan 0.000 0.531 711 T N 1.415 115.976 114.554 0.012 0.000 2.788 711 T HA -0.190 4.161 4.350 0.001 0.000 0.268 711 T C 2.887 177.429 174.700 -0.263 0.000 1.044 711 T CA 1.747 63.704 62.100 -0.237 0.000 1.139 711 T CB -0.268 68.467 68.868 -0.222 0.000 0.867 711 T HN 0.576 nan 8.240 nan 0.000 0.454 712 S N 1.535 117.186 115.700 -0.082 0.000 2.348 712 S HA -0.051 4.419 4.470 0.001 0.000 0.221 712 S C 2.441 177.092 174.600 0.084 0.000 1.033 712 S CA 1.282 59.501 58.200 0.032 0.000 1.010 712 S CB -1.281 61.986 63.200 0.111 0.000 0.891 712 S HN 0.509 nan 8.310 nan 0.000 0.442 713 G N -0.061 108.774 108.800 0.058 0.000 2.418 713 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 713 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 713 G C 1.147 176.094 174.900 0.077 0.000 1.158 713 G CA 0.584 45.715 45.100 0.052 0.000 0.771 713 G HN 0.614 nan 8.290 nan 0.000 0.545 714 W N 0.955 122.241 121.300 -0.024 0.000 2.388 714 W HA 0.158 4.819 4.660 0.001 0.000 0.294 714 W C 2.986 179.516 176.519 0.019 0.000 1.212 714 W CA 1.056 58.403 57.345 0.002 0.000 1.271 714 W CB 0.126 29.426 29.460 -0.266 0.000 1.126 714 W HN 0.270 nan 8.180 nan 0.000 0.535 715 A N -1.001 121.901 122.820 0.137 0.000 1.898 715 A HA -0.264 4.056 4.320 0.001 0.000 0.216 715 A C 1.649 179.492 177.584 0.430 0.000 1.181 715 A CA 1.607 53.786 52.037 0.236 0.000 0.620 715 A CB -1.384 17.622 19.000 0.010 0.000 0.819 715 A HN 0.445 nan 8.150 nan 0.000 0.442 716 Y N -1.013 119.425 120.300 0.230 0.000 2.145 716 Y HA -0.206 4.344 4.550 0.001 0.000 0.286 716 Y C 2.043 178.025 175.900 0.136 0.000 1.145 716 Y CA 2.047 60.245 58.100 0.164 0.000 1.148 716 Y CB -0.505 38.030 38.460 0.124 0.000 0.981 716 Y HN 0.347 nan 8.280 nan 0.000 0.507 717 F N 0.385 120.404 119.950 0.114 0.000 2.102 717 F HA -0.154 4.373 4.527 0.001 0.000 0.298 717 F C 2.312 178.203 175.800 0.151 0.000 1.105 717 F CA 1.494 59.512 58.000 0.029 0.000 1.239 717 F CB -1.038 37.912 39.000 -0.083 0.000 0.991 717 F HN 0.072 nan 8.300 nan 0.000 0.474 718 A N -0.235 122.753 122.820 0.279 0.000 1.877 718 A HA -0.120 4.201 4.320 0.001 0.000 0.216 718 A C 2.339 180.047 177.584 0.206 0.000 1.186 718 A CA 2.125 54.361 52.037 0.333 0.000 0.620 718 A CB -1.353 17.951 19.000 0.507 0.000 0.822 718 A HN 0.262 nan 8.150 nan 0.000 0.443 719 V N 0.501 120.484 119.914 0.115 0.000 2.270 719 V HA -0.222 3.899 4.120 0.001 0.000 0.245 719 V C 3.032 178.967 176.094 -0.265 0.000 1.043 719 V CA 2.461 64.693 62.300 -0.114 0.000 1.014 719 V CB -1.476 30.228 31.823 -0.198 0.000 0.645 719 V HN 0.834 nan 8.190 nan 0.000 0.447 720 T N -1.835 112.441 114.554 -0.463 0.000 2.777 720 T HA -0.181 4.169 4.350 0.001 0.000 0.266 720 T C 1.597 176.087 174.700 -0.350 0.000 1.040 720 T CA 1.829 63.572 62.100 -0.595 0.000 1.141 720 T CB -0.470 67.627 68.868 -1.285 0.000 0.868 720 T HN 0.513 nan 8.240 nan 0.000 0.444 721 N N -0.530 117.894 118.700 -0.459 0.000 2.405 721 N HA 0.110 4.850 4.740 0.001 0.000 0.175 721 N C 0.923 175.911 175.510 -0.871 0.000 1.051 721 N CA 0.696 53.333 53.050 -0.687 0.000 0.899 721 N CB 0.239 38.072 38.487 -1.089 0.000 1.000 721 N HN 0.471 nan 8.380 nan 0.000 0.451 722 Y N 0.162 120.321 120.300 -0.235 0.000 2.664 722 Y HA 0.312 4.863 4.550 0.001 0.000 0.278 722 Y C 2.023 177.848 175.900 -0.126 0.000 1.130 722 Y CA -0.284 57.727 58.100 -0.148 0.000 1.260 722 Y CB 0.128 38.520 38.460 -0.114 0.000 1.369 722 Y HN -0.143 nan 8.280 nan 0.000 0.499 723 I N 0.039 120.594 120.570 -0.026 0.000 2.193 723 I HA -0.229 3.942 4.170 0.001 0.000 0.240 723 I C 1.705 177.694 176.117 -0.213 0.000 1.084 723 I CA 1.495 62.698 61.300 -0.161 0.000 1.365 723 I CB -0.282 37.555 38.000 -0.272 0.000 1.064 723 I HN 0.165 nan 8.210 nan 0.000 0.410 724 L N 0.414 121.504 121.223 -0.222 0.000 2.395 724 L HA 0.097 4.438 4.340 0.001 0.000 0.218 724 L C 1.542 178.443 176.870 0.053 0.000 1.130 724 L CA 0.649 55.374 54.840 -0.193 0.000 0.826 724 L CB -0.754 41.228 42.059 -0.130 0.000 0.941 724 L HN 0.527 nan 8.230 nan 0.000 0.451 725 G N 0.882 109.641 108.800 -0.069 0.000 2.225 725 G HA2 -0.253 3.707 3.960 0.001 0.000 0.267 725 G HA3 -0.253 3.707 3.960 0.001 0.000 0.267 725 G C 0.110 174.930 174.900 -0.132 0.000 1.024 725 G CA 0.202 45.233 45.100 -0.116 0.000 0.784 725 G HN 0.160 nan 8.290 nan 0.000 0.507 726 V N 0.580 120.427 119.914 -0.111 0.000 2.348 726 V HA 0.497 4.618 4.120 0.001 0.000 0.270 726 V C 0.347 176.300 176.094 -0.234 0.000 1.037 726 V CA -0.022 62.206 62.300 -0.120 0.000 0.872 726 V CB 1.367 33.205 31.823 0.026 0.000 1.002 726 V HN 0.470 nan 8.190 nan 0.000 0.464 727 Q N 2.890 122.502 119.800 -0.313 0.000 2.304 727 Q HA 0.468 4.808 4.340 0.001 0.000 0.270 727 Q C -0.305 175.402 176.000 -0.490 0.000 1.035 727 Q CA -0.493 55.095 55.803 -0.359 0.000 0.781 727 Q CB 2.507 31.042 28.738 -0.338 0.000 1.261 727 Q HN 0.852 nan 8.270 nan 0.000 0.444 728 S N 0.681 116.050 115.700 -0.552 0.000 2.592 728 S HA 0.786 5.256 4.470 0.001 0.000 0.271 728 S C 0.267 174.544 174.600 -0.538 0.000 1.326 728 S CA -0.250 57.427 58.200 -0.871 0.000 1.024 728 S CB 1.390 64.126 63.200 -0.774 0.000 0.921 728 S HN 0.699 nan 8.310 nan 0.000 0.527 729 G N -0.194 108.317 108.800 -0.482 0.000 2.766 729 G HA2 0.585 4.545 3.960 0.001 0.000 0.288 729 G HA3 0.585 4.545 3.960 0.001 0.000 0.288 729 G C -0.406 174.365 174.900 -0.215 0.000 1.408 729 G CA -0.937 43.943 45.100 -0.366 0.000 0.852 729 G HN 0.495 nan 8.290 nan 0.000 0.487 730 F N 0.037 119.871 119.950 -0.194 0.000 2.234 730 F HA 0.045 4.572 4.527 0.001 0.000 0.299 730 F C 2.878 178.515 175.800 -0.271 0.000 1.087 730 F CA 1.886 59.602 58.000 -0.474 0.000 1.340 730 F CB -0.071 38.160 39.000 -1.283 0.000 1.031 730 F HN 0.474 nan 8.300 nan 0.000 0.500 731 T N -4.005 110.598 114.554 0.081 0.000 2.975 731 T HA 0.613 4.964 4.350 0.001 0.000 0.257 731 T C 0.736 175.567 174.700 0.219 0.000 1.003 731 T CA 0.337 62.543 62.100 0.176 0.000 0.932 731 T CB 0.320 69.298 68.868 0.183 0.000 1.087 731 T HN 0.239 nan 8.240 nan 0.000 0.512 732 G N 0.764 109.685 108.800 0.202 0.000 2.506 732 G HA2 0.515 4.476 3.960 0.001 0.000 0.292 732 G HA3 0.515 4.476 3.960 0.001 0.000 0.292 732 G C -2.385 172.371 174.900 -0.240 0.000 1.425 732 G CA -0.954 44.251 45.100 0.176 0.000 0.788 732 G HN 0.328 nan 8.290 nan 0.000 0.490 733 L N 1.122 122.098 121.223 -0.411 0.000 2.275 733 L HA 0.774 5.115 4.340 0.001 0.000 0.288 733 L C 0.503 177.135 176.870 -0.397 0.000 1.046 733 L CA -0.419 53.981 54.840 -0.733 0.000 0.805 733 L CB 1.597 43.110 42.059 -0.910 0.000 1.193 733 L HN 0.594 nan 8.230 nan 0.000 0.426 734 S N 3.907 119.388 115.700 -0.366 0.000 2.525 734 S HA 0.787 5.258 4.470 0.001 0.000 0.290 734 S C -1.004 173.471 174.600 -0.208 0.000 1.152 734 S CA -0.575 57.486 58.200 -0.231 0.000 1.072 734 S CB 1.203 64.288 63.200 -0.192 0.000 1.027 734 S HN 0.441 nan 8.310 nan 0.000 0.500 735 V N 4.473 124.303 119.914 -0.140 0.000 2.398 735 V HA 0.461 4.581 4.120 0.001 0.000 0.282 735 V C -1.046 175.011 176.094 -0.062 0.000 1.014 735 V CA -0.613 61.628 62.300 -0.097 0.000 0.838 735 V CB 1.386 33.157 31.823 -0.086 0.000 1.018 735 V HN 0.930 nan 8.190 nan 0.000 0.432 736 D N 5.761 126.131 120.400 -0.051 0.000 2.517 736 D HA 0.411 5.052 4.640 0.001 0.000 0.263 736 D C -2.810 173.488 176.300 -0.003 0.000 1.233 736 D CA -1.273 52.711 54.000 -0.027 0.000 0.849 736 D CB 1.963 42.740 40.800 -0.038 0.000 1.261 736 D HN 0.272 nan 8.370 nan 0.000 0.516 737 P HA 0.228 nan 4.420 nan 0.000 0.274 737 P C -0.572 176.744 177.300 0.026 0.000 1.231 737 P CA -0.607 62.545 63.100 0.087 0.000 0.790 737 P CB 1.065 32.947 31.700 0.303 0.000 0.951 738 C N 4.929 124.209 119.300 -0.035 0.000 2.654 738 C HA 0.678 5.139 4.460 0.001 0.000 0.315 738 C C -0.285 174.577 174.990 -0.213 0.000 1.054 738 C CA -0.404 58.563 59.018 -0.085 0.000 1.419 738 C CB -1.909 25.797 27.740 -0.056 0.000 1.889 738 C HN 0.565 nan 8.230 nan 0.000 0.447 739 I N 2.345 122.757 120.570 -0.264 0.000 3.170 739 I HA 0.760 4.931 4.170 0.001 0.000 0.312 739 I C -2.782 173.010 176.117 -0.542 0.000 1.085 739 I CA -3.042 57.910 61.300 -0.580 0.000 0.999 739 I CB 1.436 39.066 38.000 -0.617 0.000 1.233 739 I HN 0.173 nan 8.210 nan 0.000 0.467 740 P HA 0.059 nan 4.420 nan 0.000 0.268 740 P C 0.609 177.776 177.300 -0.222 0.000 1.204 740 P CA 0.005 62.808 63.100 -0.495 0.000 0.768 740 P CB 0.888 32.249 31.700 -0.565 0.000 0.842 741 S N 1.707 117.354 115.700 -0.089 0.000 2.419 741 S HA -0.204 4.267 4.470 0.001 0.000 0.235 741 S C 1.239 175.933 174.600 0.156 0.000 1.019 741 S CA 1.551 59.772 58.200 0.035 0.000 0.982 741 S CB -0.922 62.284 63.200 0.010 0.000 0.789 741 S HN 0.549 nan 8.310 nan 0.000 0.490 742 D N -0.870 119.594 120.400 0.107 0.000 2.349 742 D HA -0.025 4.616 4.640 0.001 0.000 0.224 742 D C -0.218 176.287 176.300 0.342 0.000 1.029 742 D CA -0.286 53.766 54.000 0.085 0.000 0.879 742 D CB -0.724 40.090 40.800 0.023 0.000 0.906 742 D HN 0.453 nan 8.370 nan 0.000 0.528 743 W N 2.190 123.570 121.300 0.134 0.000 2.303 743 W HA 0.235 4.895 4.660 0.001 0.000 0.318 743 W C -1.349 175.287 176.519 0.194 0.000 1.362 743 W CA -2.325 55.103 57.345 0.137 0.000 1.234 743 W CB 0.611 30.137 29.460 0.111 0.000 1.248 743 W HN -0.033 nan 8.180 nan 0.000 0.546 744 P HA 0.065 nan 4.420 nan 0.000 0.229 744 P C 0.511 177.863 177.300 0.087 0.000 1.160 744 P CA 1.362 64.561 63.100 0.165 0.000 0.777 744 P CB 0.992 32.757 31.700 0.109 0.000 0.814 745 G N -0.318 108.582 108.800 0.168 0.000 2.356 745 G HA2 0.371 4.332 3.960 0.001 0.000 0.288 745 G HA3 0.371 4.332 3.960 0.001 0.000 0.288 745 G C -1.836 173.186 174.900 0.203 0.000 1.302 745 G CA -0.605 44.575 45.100 0.134 0.000 0.887 745 G HN 0.228 nan 8.290 nan 0.000 0.521 746 F N -1.896 118.071 119.950 0.028 0.000 2.773 746 F HA 0.875 5.403 4.527 0.001 0.000 0.314 746 F C -1.236 174.557 175.800 -0.012 0.000 1.160 746 F CA -1.245 56.740 58.000 -0.025 0.000 0.920 746 F CB 1.219 40.240 39.000 0.034 0.000 1.323 746 F HN 0.641 nan 8.300 nan 0.000 0.457 747 E N 0.992 121.313 120.200 0.202 0.000 2.288 747 E HA 0.744 5.094 4.350 0.001 0.000 0.268 747 E C -1.727 174.978 176.600 0.174 0.000 0.885 747 E CA -1.271 55.173 56.400 0.072 0.000 0.767 747 E CB 3.208 32.921 29.700 0.022 0.000 1.220 747 E HN 0.537 nan 8.360 nan 0.000 0.427 748 V N 1.687 121.637 119.914 0.060 0.000 2.760 748 V HA 0.345 4.466 4.120 0.001 0.000 0.309 748 V C -0.711 175.301 176.094 -0.137 0.000 1.077 748 V CA -0.709 61.550 62.300 -0.068 0.000 0.910 748 V CB 2.431 34.170 31.823 -0.139 0.000 1.008 748 V HN 0.710 nan 8.190 nan 0.000 0.424 749 T N 4.617 119.060 114.554 -0.185 0.000 2.756 749 T HA 0.585 4.935 4.350 0.001 0.000 0.290 749 T C -0.369 174.179 174.700 -0.252 0.000 0.985 749 T CA -0.413 61.608 62.100 -0.131 0.000 0.955 749 T CB 0.867 69.735 68.868 0.001 0.000 0.930 749 T HN 0.548 nan 8.240 nan 0.000 0.451 750 R N 2.751 123.137 120.500 -0.190 0.000 2.513 750 R HA 0.466 4.807 4.340 0.001 0.000 0.301 750 R C -1.024 175.350 176.300 0.124 0.000 0.968 750 R CA -0.736 55.308 56.100 -0.094 0.000 0.872 750 R CB 1.153 31.371 30.300 -0.136 0.000 1.177 750 R HN 0.432 nan 8.270 nan 0.000 0.444 751 Q N 3.648 123.561 119.800 0.189 0.000 2.303 751 Q HA 0.447 4.788 4.340 0.001 0.000 0.257 751 Q C -1.848 174.387 176.000 0.392 0.000 0.941 751 Q CA -0.280 55.665 55.803 0.236 0.000 0.931 751 Q CB 0.856 29.695 28.738 0.169 0.000 1.215 751 Q HN 0.632 nan 8.270 nan 0.000 0.437 752 W N 5.354 126.782 121.300 0.214 0.000 2.968 752 W HA 0.435 5.096 4.660 0.001 0.000 0.337 752 W C -0.668 175.943 176.519 0.154 0.000 1.060 752 W CA -0.887 56.556 57.345 0.163 0.000 1.240 752 W CB 0.996 30.505 29.460 0.082 0.000 1.370 752 W HN 0.821 nan 8.180 nan 0.000 0.459 753 R N 4.426 124.782 120.500 -0.239 0.000 3.322 753 R HA -0.186 4.154 4.340 0.001 0.000 0.253 753 R C 1.111 177.301 176.300 -0.182 0.000 0.987 753 R CA 1.444 57.324 56.100 -0.366 0.000 0.666 753 R CB -1.613 28.219 30.300 -0.780 0.000 1.072 753 R HN 1.510 nan 8.270 nan 0.000 0.447 754 G N -2.166 106.592 108.800 -0.069 0.000 2.184 754 G HA2 -0.296 3.665 3.960 0.001 0.000 0.264 754 G HA3 -0.296 3.665 3.960 0.001 0.000 0.264 754 G C 0.128 174.997 174.900 -0.051 0.000 0.975 754 G CA 0.343 45.411 45.100 -0.053 0.000 0.642 754 G HN 0.953 nan 8.290 nan 0.000 0.536 755 A N -0.692 122.107 122.820 -0.035 0.000 2.380 755 A HA 0.901 5.221 4.320 0.001 0.000 0.315 755 A C 0.064 177.539 177.584 -0.181 0.000 1.101 755 A CA 0.412 52.370 52.037 -0.133 0.000 0.771 755 A CB 1.438 20.324 19.000 -0.190 0.000 1.287 755 A HN 0.700 nan 8.150 nan 0.000 0.436 756 T N 1.183 115.520 114.554 -0.363 0.000 2.824 756 T HA 0.565 4.916 4.350 0.001 0.000 0.280 756 T C -1.396 172.863 174.700 -0.734 0.000 0.995 756 T CA 0.253 62.120 62.100 -0.389 0.000 1.009 756 T CB 0.406 69.083 68.868 -0.318 0.000 0.955 756 T HN 0.369 nan 8.240 nan 0.000 0.452 757 Y N 2.015 122.144 120.300 -0.285 0.000 2.338 757 Y HA 0.285 4.836 4.550 0.001 0.000 0.328 757 Y C 0.552 176.243 175.900 -0.348 0.000 0.965 757 Y CA -1.012 56.952 58.100 -0.227 0.000 1.208 757 Y CB 0.840 39.251 38.460 -0.083 0.000 1.132 757 Y HN 0.629 nan 8.280 nan 0.000 0.469 758 H N 5.462 124.557 119.070 0.042 0.000 2.872 758 H HA 0.334 4.890 4.556 0.001 0.000 0.273 758 H C -0.318 175.007 175.328 -0.004 0.000 1.205 758 H CA -0.181 55.867 56.048 -0.001 0.000 1.342 758 H CB 0.389 30.137 29.762 -0.023 0.000 1.469 758 H HN 0.614 nan 8.280 nan 0.000 0.487 759 I N 2.638 123.230 120.570 0.036 0.000 2.342 759 I HA 0.120 4.290 4.170 0.001 0.000 0.291 759 I C 0.494 176.564 176.117 -0.078 0.000 1.010 759 I CA -0.135 61.151 61.300 -0.024 0.000 1.308 759 I CB 1.105 39.069 38.000 -0.060 0.000 1.400 759 I HN 0.354 nan 8.210 nan 0.000 0.488 760 Q N 5.970 125.702 119.800 -0.113 0.000 2.327 760 Q HA 0.509 4.850 4.340 0.001 0.000 0.270 760 Q C -1.740 174.105 176.000 -0.258 0.000 1.022 760 Q CA -0.619 55.083 55.803 -0.168 0.000 0.773 760 Q CB 2.067 30.747 28.738 -0.097 0.000 1.251 760 Q HN 0.528 nan 8.270 nan 0.000 0.457 761 V N 4.163 123.802 119.914 -0.458 0.000 2.398 761 V HA 0.374 4.494 4.120 0.001 0.000 0.286 761 V C -0.513 175.400 176.094 -0.303 0.000 1.026 761 V CA -0.498 61.507 62.300 -0.490 0.000 0.868 761 V CB 1.603 32.824 31.823 -1.003 0.000 0.982 761 V HN 0.811 nan 8.190 nan 0.000 0.443 762 E N 3.367 123.459 120.200 -0.180 0.000 2.183 762 E HA 0.402 4.752 4.350 0.001 0.000 0.271 762 E C -0.518 176.028 176.600 -0.090 0.000 0.919 762 E CA -0.517 55.814 56.400 -0.115 0.000 0.781 762 E CB 1.584 31.226 29.700 -0.097 0.000 1.140 762 E HN 0.575 nan 8.360 nan 0.000 0.402 763 N N 3.330 121.978 118.700 -0.087 0.000 2.723 763 N HA 0.173 4.914 4.740 0.001 0.000 0.290 763 N C -2.043 173.301 175.510 -0.277 0.000 1.882 763 N CA -2.004 50.981 53.050 -0.109 0.000 0.851 763 N CB 0.722 39.205 38.487 -0.005 0.000 1.234 763 N HN 0.270 nan 8.380 nan 0.000 0.491 764 P HA -0.052 nan 4.420 nan 0.000 0.218 764 P C -0.085 177.063 177.300 -0.254 0.000 1.149 764 P CA 1.171 64.128 63.100 -0.239 0.000 0.817 764 P CB 0.504 32.133 31.700 -0.118 0.000 0.785 765 D N -1.866 118.436 120.400 -0.164 0.000 2.339 765 D HA -0.016 4.624 4.640 0.001 0.000 0.217 765 D C 0.054 176.364 176.300 0.017 0.000 1.050 765 D CA 0.068 54.034 54.000 -0.058 0.000 0.856 765 D CB -0.549 40.237 40.800 -0.023 0.000 0.922 765 D HN 0.268 nan 8.370 nan 0.000 0.518 766 H N -0.154 118.930 119.070 0.022 0.000 2.672 766 H HA -0.137 4.419 4.556 0.001 0.000 0.325 766 H C 0.426 175.762 175.328 0.013 0.000 1.158 766 H CA 0.462 56.527 56.048 0.029 0.000 1.134 766 H CB -2.049 27.730 29.762 0.029 0.000 1.553 766 H HN 0.109 nan 8.280 nan 0.000 0.419 767 V N -2.997 116.964 119.914 0.077 0.000 3.406 767 V HA 0.624 4.744 4.120 0.001 0.000 0.305 767 V C 1.179 177.288 176.094 0.024 0.000 1.136 767 V CA 0.110 62.433 62.300 0.039 0.000 1.011 767 V CB 1.998 33.829 31.823 0.014 0.000 1.221 767 V HN 0.248 nan 8.190 nan 0.000 0.454 768 S N -0.696 114.998 115.700 -0.010 0.000 2.545 768 S HA 0.323 4.794 4.470 0.001 0.000 0.232 768 S C 0.534 175.111 174.600 -0.040 0.000 1.070 768 S CA 0.447 58.619 58.200 -0.048 0.000 0.923 768 S CB -0.153 63.001 63.200 -0.077 0.000 0.806 768 S HN 0.853 nan 8.310 nan 0.000 0.506 769 K N -0.692 119.695 120.400 -0.022 0.000 2.532 769 K HA 0.529 4.849 4.320 0.001 0.000 0.265 769 K C -1.600 174.997 176.600 -0.006 0.000 0.948 769 K CA -0.081 56.198 56.287 -0.012 0.000 0.842 769 K CB 1.677 34.168 32.500 -0.016 0.000 1.392 769 K HN 0.338 nan 8.250 nan 0.000 0.436 770 G N 1.274 110.072 108.800 -0.003 0.000 3.313 770 G HA2 0.010 3.970 3.960 0.001 0.000 0.659 770 G HA3 0.010 3.970 3.960 0.001 0.000 0.659 770 G C -1.586 173.309 174.900 -0.009 0.000 1.286 770 G CA -0.777 44.321 45.100 -0.005 0.000 1.077 770 G HN 0.364 nan 8.290 nan 0.000 0.551 771 V N 3.773 123.681 119.914 -0.011 0.000 2.406 771 V HA 0.382 4.503 4.120 0.001 0.000 0.272 771 V C 1.590 177.674 176.094 -0.017 0.000 1.043 771 V CA 0.295 62.585 62.300 -0.018 0.000 0.915 771 V CB 1.506 33.316 31.823 -0.022 0.000 0.988 771 V HN 0.906 nan 8.190 nan 0.000 0.466 772 K N 3.333 123.720 120.400 -0.020 0.000 2.098 772 K HA 0.075 4.396 4.320 0.001 0.000 0.203 772 K C 0.666 177.256 176.600 -0.018 0.000 1.051 772 K CA 1.083 57.359 56.287 -0.018 0.000 0.957 772 K CB 0.368 32.855 32.500 -0.021 0.000 0.738 772 K HN 0.819 nan 8.250 nan 0.000 0.447 773 S N -0.662 115.024 115.700 -0.023 0.000 2.565 773 S HA 0.532 5.003 4.470 0.001 0.000 0.269 773 S C -0.880 173.704 174.600 -0.026 0.000 1.153 773 S CA -1.105 57.083 58.200 -0.021 0.000 0.835 773 S CB 1.511 64.700 63.200 -0.019 0.000 1.122 773 S HN 0.097 nan 8.310 nan 0.000 0.462 774 I N 1.875 122.433 120.570 -0.020 0.000 2.571 774 I HA 0.478 4.648 4.170 0.001 0.000 0.289 774 I C -0.691 175.420 176.117 -0.009 0.000 1.115 774 I CA -0.506 60.781 61.300 -0.021 0.000 1.045 774 I CB 2.664 40.651 38.000 -0.022 0.000 1.238 774 I HN 0.954 nan 8.210 nan 0.000 0.424 775 T N 3.776 118.325 114.554 -0.007 0.000 2.829 775 T HA 0.673 5.024 4.350 0.001 0.000 0.280 775 T C -0.920 173.792 174.700 0.018 0.000 0.999 775 T CA -0.719 61.384 62.100 0.004 0.000 0.983 775 T CB 2.050 70.917 68.868 -0.002 0.000 0.968 775 T HN 0.325 nan 8.240 nan 0.000 0.446 776 L N 3.917 125.159 121.223 0.031 0.000 2.294 776 L HA 0.520 4.860 4.340 0.001 0.000 0.283 776 L C 0.042 176.936 176.870 0.041 0.000 1.015 776 L CA 0.259 55.130 54.840 0.052 0.000 0.831 776 L CB 0.085 42.186 42.059 0.071 0.000 1.217 776 L HN 0.857 nan 8.230 nan 0.000 0.420 777 N N 4.417 123.140 118.700 0.038 0.000 2.727 777 N HA -0.220 4.521 4.740 0.001 0.000 0.249 777 N C 0.977 176.496 175.510 0.015 0.000 1.048 777 N CA 1.231 54.296 53.050 0.025 0.000 0.714 777 N CB -1.207 37.295 38.487 0.024 0.000 0.959 777 N HN 1.223 nan 8.380 nan 0.000 0.544 778 G N -2.110 106.697 108.800 0.012 0.000 2.241 778 G HA2 -0.169 3.792 3.960 0.001 0.000 0.244 778 G HA3 -0.169 3.792 3.960 0.001 0.000 0.244 778 G C 0.155 175.059 174.900 0.006 0.000 0.998 778 G CA 0.707 45.810 45.100 0.005 0.000 0.621 778 G HN 1.230 nan 8.290 nan 0.000 0.519 779 A N 1.911 124.738 122.820 0.012 0.000 2.292 779 A HA 0.783 5.103 4.320 0.001 0.000 0.319 779 A C -1.755 175.836 177.584 0.012 0.000 1.206 779 A CA -1.195 50.849 52.037 0.012 0.000 0.835 779 A CB 1.234 20.244 19.000 0.016 0.000 1.164 779 A HN 0.231 nan 8.150 nan 0.000 0.505 780 P HA 0.358 nan 4.420 nan 0.000 0.271 780 P C -0.584 176.723 177.300 0.011 0.000 1.216 780 P CA 0.344 63.448 63.100 0.006 0.000 0.776 780 P CB 0.710 32.411 31.700 0.003 0.000 0.881 781 I N -1.190 119.387 120.570 0.011 0.000 3.074 781 I HA 0.510 4.681 4.170 0.001 0.000 0.310 781 I C -1.012 175.111 176.117 0.010 0.000 1.153 781 I CA -1.427 59.883 61.300 0.015 0.000 0.993 781 I CB 2.509 40.523 38.000 0.024 0.000 1.237 781 I HN 0.188 nan 8.210 nan 0.000 0.443 782 Q N 2.639 122.447 119.800 0.013 0.000 2.333 782 Q HA 0.624 4.964 4.340 0.001 0.000 0.268 782 Q C 0.105 176.111 176.000 0.011 0.000 1.007 782 Q CA -0.211 55.598 55.803 0.010 0.000 0.810 782 Q CB 2.062 30.808 28.738 0.013 0.000 1.264 782 Q HN 1.164 nan 8.270 nan 0.000 0.452 783 G N 2.302 111.104 108.800 0.003 0.000 2.484 783 G HA2 -0.222 3.738 3.960 0.001 0.000 0.225 783 G HA3 -0.222 3.738 3.960 0.001 0.000 0.225 783 G C -0.599 174.294 174.900 -0.012 0.000 1.250 783 G CA -0.875 44.225 45.100 0.000 0.000 0.926 783 G HN 0.531 nan 8.290 nan 0.000 0.581 784 R N -0.298 120.196 120.500 -0.011 0.000 2.679 784 R HA 0.424 4.765 4.340 0.001 0.000 0.269 784 R C 0.307 176.604 176.300 -0.005 0.000 1.076 784 R CA -0.232 55.848 56.100 -0.033 0.000 1.160 784 R CB 0.353 30.633 30.300 -0.033 0.000 1.054 784 R HN 0.455 nan 8.270 nan 0.000 0.507 785 I N 3.921 124.474 120.570 -0.029 0.000 2.337 785 I HA 0.155 4.325 4.170 0.001 0.000 0.291 785 I C -1.955 174.233 176.117 0.118 0.000 1.046 785 I CA -2.166 59.153 61.300 0.032 0.000 1.324 785 I CB 1.135 39.127 38.000 -0.012 0.000 1.409 785 I HN 0.161 nan 8.210 nan 0.000 0.494 786 P HA 0.075 nan 4.420 nan 0.000 0.269 786 P C -2.398 175.052 177.300 0.250 0.000 1.209 786 P CA -1.023 62.186 63.100 0.182 0.000 0.776 786 P CB -0.161 31.615 31.700 0.126 0.000 0.876 787 P HA 0.004 nan 4.420 nan 0.000 0.267 787 P C -0.503 176.851 177.300 0.090 0.000 1.209 787 P CA 0.229 63.366 63.100 0.061 0.000 0.763 787 P CB 0.520 32.033 31.700 -0.311 0.000 0.816 788 Q N 1.789 121.698 119.800 0.181 0.000 2.237 788 Q HA 0.477 4.817 4.340 0.001 0.000 0.219 788 Q C 0.476 176.470 176.000 -0.010 0.000 0.999 788 Q CA -0.660 55.188 55.803 0.076 0.000 0.959 788 Q CB 0.533 29.300 28.738 0.049 0.000 1.173 788 Q HN 0.544 nan 8.270 nan 0.000 0.527 789 A N 1.338 124.143 122.820 -0.026 0.000 2.466 789 A HA 0.029 4.350 4.320 0.001 0.000 0.238 789 A C 0.177 177.724 177.584 -0.061 0.000 1.074 789 A CA -0.264 51.749 52.037 -0.041 0.000 0.774 789 A CB 0.093 19.075 19.000 -0.030 0.000 1.015 789 A HN 0.496 nan 8.150 nan 0.000 0.498 790 Q N 0.106 119.870 119.800 -0.059 0.000 2.286 790 Q HA 0.274 4.614 4.340 0.001 0.000 0.290 790 Q C 1.317 177.283 176.000 -0.056 0.000 1.049 790 Q CA 1.561 57.327 55.803 -0.062 0.000 0.923 790 Q CB 0.479 29.186 28.738 -0.053 0.000 1.183 790 Q HN 1.712 nan 8.270 nan 0.000 0.383 791 G N 2.054 110.818 108.800 -0.060 0.000 2.184 791 G HA2 -0.328 3.633 3.960 0.001 0.000 0.264 791 G HA3 -0.328 3.633 3.960 0.001 0.000 0.264 791 G C 0.329 175.192 174.900 -0.061 0.000 0.975 791 G CA 0.554 45.624 45.100 -0.051 0.000 0.642 791 G HN 0.806 nan 8.290 nan 0.000 0.536 792 S N 0.139 115.788 115.700 -0.085 0.000 2.585 792 S HA 0.536 5.007 4.470 0.001 0.000 0.273 792 S C -0.479 174.039 174.600 -0.137 0.000 1.339 792 S CA -0.154 57.989 58.200 -0.095 0.000 1.028 792 S CB 1.903 65.044 63.200 -0.098 0.000 0.906 792 S HN 0.237 nan 8.310 nan 0.000 0.528 793 D N 1.948 122.297 120.400 -0.086 0.000 2.408 793 D HA 0.358 4.999 4.640 0.001 0.000 0.243 793 D C -0.840 175.440 176.300 -0.035 0.000 1.075 793 D CA -0.439 53.538 54.000 -0.040 0.000 0.832 793 D CB 1.266 42.118 40.800 0.086 0.000 1.162 793 D HN 0.563 nan 8.370 nan 0.000 0.515 794 N N 2.041 120.682 118.700 -0.098 0.000 2.284 794 N HA 0.167 4.907 4.740 0.001 0.000 0.300 794 N C -0.566 174.993 175.510 0.083 0.000 1.047 794 N CA -0.643 52.383 53.050 -0.040 0.000 0.821 794 N CB 2.433 40.839 38.487 -0.136 0.000 1.337 794 N HN 0.254 nan 8.380 nan 0.000 0.482 795 Q N 1.508 121.359 119.800 0.085 0.000 2.296 795 Q HA 0.370 4.711 4.340 0.001 0.000 0.257 795 Q C -0.676 175.368 176.000 0.073 0.000 0.942 795 Q CA -0.418 55.439 55.803 0.089 0.000 0.939 795 Q CB 1.839 30.602 28.738 0.042 0.000 1.198 795 Q HN 0.337 nan 8.270 nan 0.000 0.429 796 V N 3.577 123.536 119.914 0.074 0.000 2.378 796 V HA 0.391 4.511 4.120 0.001 0.000 0.288 796 V C -0.195 175.897 176.094 -0.002 0.000 1.016 796 V CA -0.742 61.586 62.300 0.047 0.000 0.840 796 V CB 1.972 33.835 31.823 0.066 0.000 0.994 796 V HN 0.418 nan 8.190 nan 0.000 0.431 797 V N 5.875 125.778 119.914 -0.017 0.000 2.357 797 V HA 0.475 4.595 4.120 0.001 0.000 0.284 797 V C -0.204 175.855 176.094 -0.058 0.000 1.018 797 V CA -0.559 61.713 62.300 -0.047 0.000 0.841 797 V CB 1.866 33.666 31.823 -0.038 0.000 0.991 797 V HN 0.598 nan 8.190 nan 0.000 0.437 798 V N 5.963 125.821 119.914 -0.093 0.000 2.384 798 V HA 0.444 4.564 4.120 0.001 0.000 0.287 798 V C -0.148 175.887 176.094 -0.098 0.000 1.020 798 V CA -0.573 61.672 62.300 -0.092 0.000 0.850 798 V CB 1.924 33.679 31.823 -0.112 0.000 0.987 798 V HN 0.603 nan 8.190 nan 0.000 0.436 799 V N 6.636 126.509 119.914 -0.070 0.000 2.370 799 V HA 0.441 4.561 4.120 0.001 0.000 0.283 799 V C 0.112 176.175 176.094 -0.052 0.000 1.023 799 V CA -0.479 61.783 62.300 -0.065 0.000 0.857 799 V CB 1.521 33.313 31.823 -0.052 0.000 0.985 799 V HN 0.625 nan 8.190 nan 0.000 0.443 800 L N 4.423 125.615 121.223 -0.051 0.000 2.399 800 L HA 0.922 5.263 4.340 0.001 0.000 0.266 800 L C 0.818 177.670 176.870 -0.031 0.000 1.114 800 L CA 0.146 54.966 54.840 -0.032 0.000 0.804 800 L CB 1.282 43.330 42.059 -0.017 0.000 1.146 800 L HN 0.868 nan 8.230 nan 0.000 0.451 801 G N 0.000 108.788 108.800 -0.020 0.000 5.446 801 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 801 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 801 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 801 G HN 0.000 nan 8.290 nan 0.000 0.925