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 1gjw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLREINRYC KEKATGKRIY AVPKLWIPGF FKKFDEKSGR CFVDPYELGA DATA SEQUENCE EITDWILNQS REWDYSQPLS FLKGEKTPDW IKRSVVYGSL PRTTAAYNHK DATA SEQUENCE GSGYYEENDV LGFREAGTFF KMMLLLPFVK SLGADAIYLL PVSRMSDLFK DATA SEQUENCE KGDAPSPYSV KNPMELDERY HDPLLEPFKV DEEFKAFVEA CHILGIRVIL DATA SEQUENCE DFIPRTAARD SDLIREHPDW FYWIKVEELA DYTPPRAEEL PFKVPDEDEL DATA SEQUENCE EIIYNKENVK RHLKKFTLPP NLIDPQKWEK IKREEGNILE LIVKEFGIIT DATA SEQUENCE PPGFSDLIND PQPTWDDVTF LRLYLDHPEA SKRFLDPNQP PYVLYDVIKA DATA SEQUENCE SKFPGKEPNR ELWEYLAGVI PHYQKKYGID GARLDMGHAL PKELLDLIIK DATA SEQUENCE NVKEYDPAFV MIAEELDMEK DKASKEAGYD VILGSSWYFA GRVEEIGKLP DATA SEQUENCE DIAEELVLPF LASVETPDTP RIATRKYASK MKKLAPFVTY FLPNSIPYVN DATA SEQUENCE TGQEIGEKQP MNLGLDTDPN LRKVLSPTDE FFGKLAFFDH YVLHWDSPDR DATA SEQUENCE GVLNFIKKLI KVRHEFLDFV LNGKFENLTT KDLVMYSYEK NGQKIVIAAN DATA SEQUENCE VGKEPKEITG GRVWNGKWSD EEKVVLKPLE FALVVQ 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 0.000 176.370 176.300 0.116 0.000 1.140 1 M CA 0.000 55.360 55.300 0.100 0.000 0.988 1 M CB 0.000 32.658 32.600 0.096 0.000 1.302 2 L N 2.958 124.257 121.223 0.127 0.000 2.064 2 L HA -0.281 4.059 4.340 -0.001 0.000 0.216 2 L C 1.929 178.844 176.870 0.076 0.000 1.077 2 L CA 1.646 56.573 54.840 0.145 0.000 0.766 2 L CB -0.650 41.495 42.059 0.143 0.000 0.890 2 L HN 0.760 nan 8.230 nan 0.000 0.435 3 L N -0.064 121.190 121.223 0.053 0.000 2.083 3 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 3 L C 2.673 179.572 176.870 0.048 0.000 1.083 3 L CA 1.725 56.581 54.840 0.026 0.000 0.752 3 L CB -0.569 41.493 42.059 0.005 0.000 0.899 3 L HN 0.112 nan 8.230 nan 0.000 0.433 4 R N -0.728 119.815 120.500 0.073 0.000 2.090 4 R HA -0.101 4.239 4.340 -0.001 0.000 0.228 4 R C 2.215 178.587 176.300 0.120 0.000 1.110 4 R CA 1.232 57.384 56.100 0.086 0.000 0.973 4 R CB -0.144 30.205 30.300 0.082 0.000 0.869 4 R HN 0.481 nan 8.270 nan 0.000 0.440 5 E N 0.319 120.612 120.200 0.155 0.000 2.085 5 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 5 E C 1.957 178.725 176.600 0.280 0.000 0.994 5 E CA 1.542 58.099 56.400 0.261 0.000 0.801 5 E CB -0.088 29.845 29.700 0.388 0.000 0.743 5 E HN 0.423 nan 8.360 nan 0.000 0.453 6 I N 1.557 122.150 120.570 0.038 0.000 2.315 6 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 6 I C 2.516 178.700 176.117 0.111 0.000 1.117 6 I CA 0.669 61.895 61.300 -0.123 0.000 1.404 6 I CB -0.364 37.463 38.000 -0.289 0.000 1.071 6 I HN 0.174 nan 8.210 nan 0.000 0.419 7 N N 1.425 120.195 118.700 0.116 0.000 2.084 7 N HA -0.236 4.503 4.740 -0.001 0.000 0.190 7 N C 2.131 177.727 175.510 0.143 0.000 1.030 7 N CA 1.314 54.444 53.050 0.132 0.000 0.849 7 N CB -0.049 38.501 38.487 0.104 0.000 1.012 7 N HN 0.273 nan 8.380 nan 0.000 0.423 8 R N -0.316 120.279 120.500 0.158 0.000 2.080 8 R HA -0.215 4.125 4.340 -0.001 0.000 0.236 8 R C 2.316 178.724 176.300 0.179 0.000 1.137 8 R CA 1.705 57.897 56.100 0.154 0.000 0.943 8 R CB -0.649 29.750 30.300 0.165 0.000 0.846 8 R HN 0.394 nan 8.270 nan 0.000 0.431 9 Y N 0.426 120.802 120.300 0.126 0.000 2.165 9 Y HA -0.353 4.197 4.550 -0.001 0.000 0.286 9 Y C 2.491 178.406 175.900 0.025 0.000 1.155 9 Y CA 1.823 59.988 58.100 0.109 0.000 1.164 9 Y CB -0.265 38.352 38.460 0.263 0.000 0.978 9 Y HN 0.197 nan 8.280 nan 0.000 0.513 10 C N 0.561 119.871 119.300 0.017 0.000 2.429 10 C HA -0.166 4.294 4.460 -0.001 0.000 0.277 10 C C 2.546 177.506 174.990 -0.050 0.000 1.262 10 C CA 1.502 60.526 59.018 0.011 0.000 1.733 10 C CB -0.980 26.888 27.740 0.215 0.000 2.010 10 C HN 0.527 nan 8.230 nan 0.000 0.483 11 K N 0.693 121.094 120.400 0.001 0.000 2.148 11 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 11 K C 1.902 178.464 176.600 -0.064 0.000 1.050 11 K CA 1.272 57.562 56.287 0.006 0.000 0.942 11 K CB -0.145 32.380 32.500 0.040 0.000 0.724 11 K HN 0.619 nan 8.250 nan 0.000 0.446 12 E N 0.618 120.745 120.200 -0.123 0.000 2.047 12 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 12 E C 1.724 178.162 176.600 -0.271 0.000 0.987 12 E CA 0.876 57.183 56.400 -0.155 0.000 0.799 12 E CB 0.117 29.737 29.700 -0.133 0.000 0.752 12 E HN 0.099 nan 8.360 nan 0.000 0.449 13 K N 0.703 120.778 120.400 -0.541 0.000 2.296 13 K HA 0.121 4.440 4.320 -0.001 0.000 0.200 13 K C 0.779 177.154 176.600 -0.375 0.000 1.048 13 K CA 0.303 56.154 56.287 -0.725 0.000 0.966 13 K CB -0.219 31.214 32.500 -1.778 0.000 0.754 13 K HN 0.044 nan 8.250 nan 0.000 0.466 14 A N 1.848 124.567 122.820 -0.169 0.000 2.603 14 A HA 0.016 4.336 4.320 -0.001 0.000 0.235 14 A C 1.163 178.764 177.584 0.028 0.000 1.035 14 A CA 1.369 53.427 52.037 0.035 0.000 0.755 14 A CB -0.050 18.985 19.000 0.058 0.000 0.954 14 A HN 0.459 nan 8.150 nan 0.000 0.511 15 T N -1.779 112.827 114.554 0.086 0.000 3.092 15 T HA 0.450 4.800 4.350 -0.001 0.000 0.273 15 T C 1.343 176.091 174.700 0.080 0.000 0.898 15 T CA 1.005 63.146 62.100 0.068 0.000 0.868 15 T CB -0.098 68.817 68.868 0.077 0.000 1.228 15 T HN 2.555 nan 8.240 nan 0.000 0.555 16 G N 1.919 110.781 108.800 0.105 0.000 2.179 16 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.260 16 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.260 16 G C -0.053 174.912 174.900 0.108 0.000 0.977 16 G CA 0.343 45.502 45.100 0.099 0.000 0.641 16 G HN 0.811 nan 8.290 nan 0.000 0.533 17 K N 1.060 121.535 120.400 0.124 0.000 2.310 17 K HA 0.374 4.694 4.320 -0.001 0.000 0.290 17 K C 0.521 177.225 176.600 0.173 0.000 1.077 17 K CA -0.606 55.760 56.287 0.131 0.000 0.922 17 K CB 0.111 32.689 32.500 0.131 0.000 1.057 17 K HN 0.294 nan 8.250 nan 0.000 0.479 18 R N 5.604 126.206 120.500 0.171 0.000 2.870 18 R HA 0.153 4.492 4.340 -0.001 0.000 0.254 18 R C 0.682 177.152 176.300 0.284 0.000 1.392 18 R CA 0.013 56.255 56.100 0.238 0.000 1.322 18 R CB -0.292 30.149 30.300 0.235 0.000 1.205 18 R HN 0.647 nan 8.270 nan 0.000 0.597 19 I N -2.902 117.881 120.570 0.354 0.000 4.225 19 I HA 0.254 4.424 4.170 -0.001 0.000 0.327 19 I C -0.471 176.003 176.117 0.595 0.000 1.422 19 I CA -0.589 60.972 61.300 0.435 0.000 1.150 19 I CB 0.412 38.623 38.000 0.352 0.000 1.192 19 I HN 0.192 nan 8.210 nan 0.000 0.440 20 Y N 3.186 123.632 120.300 0.243 0.000 2.385 20 Y HA 0.752 5.302 4.550 -0.000 0.000 0.341 20 Y C 0.304 176.166 175.900 -0.064 0.000 0.965 20 Y CA -1.007 57.023 58.100 -0.117 0.000 1.180 20 Y CB 0.976 39.127 38.460 -0.514 0.000 1.139 20 Y HN 0.215 nan 8.280 nan 0.000 0.502 21 A N 5.846 128.540 122.820 -0.210 0.000 2.363 21 A HA 0.656 4.976 4.320 -0.001 0.000 0.270 21 A C -0.896 176.454 177.584 -0.389 0.000 1.121 21 A CA -0.099 51.652 52.037 -0.476 0.000 0.800 21 A CB 0.114 18.797 19.000 -0.528 0.000 1.052 21 A HN 0.988 nan 8.150 nan 0.000 0.493 22 V N -0.198 119.352 119.914 -0.608 0.000 2.971 22 V HA 0.778 4.898 4.120 -0.001 0.000 0.309 22 V C -2.990 172.340 176.094 -1.274 0.000 1.130 22 V CA -2.438 59.228 62.300 -1.057 0.000 0.964 22 V CB 2.062 33.580 31.823 -0.508 0.000 1.029 22 V HN 0.747 nan 8.190 nan 0.000 0.427 23 P HA 0.211 nan 4.420 nan 0.000 0.275 23 P C 0.323 177.173 177.300 -0.749 0.000 1.228 23 P CA -0.219 62.183 63.100 -1.164 0.000 0.786 23 P CB 1.474 32.433 31.700 -1.234 0.000 0.927 24 K N 2.001 122.130 120.400 -0.451 0.000 2.173 24 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 24 K C 1.803 178.232 176.600 -0.284 0.000 1.046 24 K CA 1.349 57.421 56.287 -0.359 0.000 0.929 24 K CB -0.462 31.905 32.500 -0.222 0.000 0.720 24 K HN 0.413 nan 8.250 nan 0.000 0.453 25 L N -0.548 120.549 121.223 -0.210 0.000 2.353 25 L HA -0.165 4.174 4.340 -0.001 0.000 0.220 25 L C 1.556 178.369 176.870 -0.094 0.000 1.133 25 L CA 0.485 55.285 54.840 -0.066 0.000 0.798 25 L CB -0.269 41.832 42.059 0.070 0.000 0.922 25 L HN 0.350 nan 8.230 nan 0.000 0.445 26 W N -0.379 120.571 121.300 -0.583 0.000 2.770 26 W HA 0.092 4.751 4.660 -0.001 0.000 0.256 26 W C 0.903 177.102 176.519 -0.533 0.000 1.291 26 W CA -0.720 56.240 57.345 -0.642 0.000 1.396 26 W CB -0.055 28.946 29.460 -0.766 0.000 1.114 26 W HN -0.167 nan 8.180 nan 0.000 0.637 27 I N 3.001 123.392 120.570 -0.297 0.000 2.379 27 I HA 0.116 4.285 4.170 -0.001 0.000 0.290 27 I C -1.847 174.048 176.117 -0.371 0.000 1.063 27 I CA -2.240 58.824 61.300 -0.393 0.000 1.351 27 I CB -0.402 37.285 38.000 -0.522 0.000 1.410 27 I HN -0.387 nan 8.210 nan 0.000 0.505 28 P HA 0.184 nan 4.420 nan 0.000 0.274 28 P C 1.161 178.117 177.300 -0.574 0.000 1.237 28 P CA -0.285 62.370 63.100 -0.742 0.000 0.793 28 P CB 0.792 31.567 31.700 -1.543 0.000 0.977 29 G N 1.126 109.682 108.800 -0.407 0.000 2.469 29 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.220 29 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.220 29 G C 1.035 175.910 174.900 -0.042 0.000 1.136 29 G CA 0.793 45.807 45.100 -0.143 0.000 0.759 29 G HN 0.622 nan 8.290 nan 0.000 0.562 30 F N -0.919 119.026 119.950 -0.007 0.000 2.502 30 F HA 0.404 4.931 4.527 -0.000 0.000 0.298 30 F C 0.837 176.698 175.800 0.102 0.000 1.111 30 F CA -1.408 56.615 58.000 0.038 0.000 1.445 30 F CB -0.621 38.386 39.000 0.012 0.000 1.081 30 F HN -0.016 nan 8.300 nan 0.000 0.558 31 F N 2.857 122.734 119.950 -0.122 0.000 2.420 31 F HA 0.373 4.900 4.527 -0.001 0.000 0.352 31 F C 0.865 176.771 175.800 0.177 0.000 1.108 31 F CA -0.771 57.257 58.000 0.046 0.000 1.162 31 F CB 0.717 39.640 39.000 -0.128 0.000 1.118 31 F HN -0.191 nan 8.300 nan 0.000 0.510 32 K N 4.035 124.216 120.400 -0.364 0.000 2.450 32 K HA 0.114 4.433 4.320 -0.001 0.000 0.206 32 K C 0.018 176.384 176.600 -0.391 0.000 1.148 32 K CA 0.126 56.295 56.287 -0.196 0.000 1.014 32 K CB 0.382 32.785 32.500 -0.162 0.000 0.966 32 K HN 0.545 nan 8.250 nan 0.000 0.566 33 K N 1.934 121.878 120.400 -0.759 0.000 2.243 33 K HA 0.128 4.448 4.320 -0.001 0.000 0.232 33 K C -0.605 176.066 176.600 0.118 0.000 1.237 33 K CA -0.068 55.985 56.287 -0.389 0.000 1.161 33 K CB -0.588 31.689 32.500 -0.372 0.000 1.505 33 K HN -0.012 nan 8.250 nan 0.000 0.271 34 F N -2.200 117.789 119.950 0.066 0.000 2.668 34 F HA 0.490 5.017 4.527 -0.001 0.000 0.309 34 F C -1.136 174.744 175.800 0.134 0.000 1.117 34 F CA -1.508 56.606 58.000 0.191 0.000 0.951 34 F CB 1.269 40.426 39.000 0.263 0.000 1.323 34 F HN -0.122 nan 8.300 nan 0.000 0.451 35 D N 1.067 121.685 120.400 0.363 0.000 2.198 35 D HA 0.332 4.971 4.640 -0.001 0.000 0.247 35 D C -1.319 175.261 176.300 0.467 0.000 1.010 35 D CA -0.276 53.872 54.000 0.246 0.000 0.880 35 D CB 2.177 43.099 40.800 0.203 0.000 1.209 35 D HN 0.788 nan 8.370 nan 0.000 0.451 36 E N 1.239 121.640 120.200 0.335 0.000 2.185 36 E HA 0.367 4.717 4.350 -0.001 0.000 0.261 36 E C -1.229 175.527 176.600 0.260 0.000 0.879 36 E CA -0.712 55.902 56.400 0.357 0.000 0.756 36 E CB 0.790 30.703 29.700 0.355 0.000 1.152 36 E HN 0.167 nan 8.360 nan 0.000 0.416 37 K N 2.274 122.868 120.400 0.324 0.000 2.482 37 K HA 0.295 4.614 4.320 -0.001 0.000 0.251 37 K C -0.796 175.948 176.600 0.240 0.000 0.936 37 K CA -0.814 55.623 56.287 0.250 0.000 0.791 37 K CB 1.983 34.611 32.500 0.213 0.000 1.213 37 K HN 0.544 nan 8.250 nan 0.000 0.428 38 S N 1.260 117.046 115.700 0.143 0.000 3.706 38 S HA -0.214 4.256 4.470 -0.001 0.000 0.363 38 S C 1.023 175.670 174.600 0.078 0.000 0.999 38 S CA 0.866 59.127 58.200 0.103 0.000 1.143 38 S CB -1.656 61.612 63.200 0.112 0.000 0.902 38 S HN 1.255 nan 8.310 nan 0.000 0.476 39 G N 0.898 109.740 108.800 0.070 0.000 2.458 39 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.237 39 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.237 39 G C 0.067 174.966 174.900 -0.001 0.000 1.113 39 G CA 0.673 45.795 45.100 0.037 0.000 0.655 39 G HN 1.160 nan 8.290 nan 0.000 0.513 40 R N -0.074 120.418 120.500 -0.012 0.000 2.607 40 R HA 0.752 5.092 4.340 -0.001 0.000 0.261 40 R C -0.370 175.852 176.300 -0.130 0.000 1.051 40 R CA -0.220 55.798 56.100 -0.138 0.000 1.110 40 R CB 0.961 31.143 30.300 -0.197 0.000 1.158 40 R HN 0.239 nan 8.270 nan 0.000 0.543 41 C N 0.572 119.702 119.300 -0.282 0.000 2.454 41 C HA 0.642 5.101 4.460 -0.001 0.000 0.336 41 C C -0.919 173.905 174.990 -0.275 0.000 1.189 41 C CA -0.641 58.314 59.018 -0.106 0.000 1.877 41 C CB 0.462 28.074 27.740 -0.212 0.000 2.348 41 C HN 0.669 nan 8.230 nan 0.000 0.508 42 F N 1.480 121.524 119.950 0.157 0.000 2.495 42 F HA 0.706 5.233 4.527 -0.001 0.000 0.327 42 F C 0.404 176.338 175.800 0.224 0.000 1.103 42 F CA -0.523 57.572 58.000 0.158 0.000 0.949 42 F CB 1.565 40.653 39.000 0.145 0.000 1.142 42 F HN 0.542 nan 8.300 nan 0.000 0.457 43 V N -1.370 118.755 119.914 0.351 0.000 3.167 43 V HA 0.640 4.760 4.120 -0.001 0.000 0.310 43 V C -1.474 174.751 176.094 0.219 0.000 1.207 43 V CA -0.918 61.566 62.300 0.308 0.000 1.059 43 V CB 2.034 33.991 31.823 0.223 0.000 1.079 43 V HN 0.622 nan 8.190 nan 0.000 0.446 44 D N 2.332 122.840 120.400 0.179 0.000 2.347 44 D HA 0.434 5.074 4.640 -0.001 0.000 0.235 44 D C -1.301 174.961 176.300 -0.064 0.000 1.149 44 D CA -2.198 51.864 54.000 0.105 0.000 0.850 44 D CB 1.874 42.776 40.800 0.170 0.000 1.061 44 D HN 0.417 nan 8.370 nan 0.000 0.487 45 P HA -0.220 nan 4.420 nan 0.000 0.217 45 P C 1.021 178.081 177.300 -0.399 0.000 1.148 45 P CA 1.319 63.981 63.100 -0.730 0.000 0.834 45 P CB -0.001 30.843 31.700 -1.427 0.000 0.783 46 Y N 0.637 120.888 120.300 -0.081 0.000 2.314 46 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 46 Y C 2.717 178.645 175.900 0.048 0.000 1.129 46 Y CA 0.879 58.967 58.100 -0.021 0.000 1.201 46 Y CB -0.653 37.763 38.460 -0.073 0.000 0.999 46 Y HN 0.039 nan 8.280 nan 0.000 0.541 47 E N -0.123 120.205 120.200 0.213 0.000 2.072 47 E HA -0.181 4.169 4.350 -0.001 0.000 0.190 47 E C 1.969 178.756 176.600 0.311 0.000 0.982 47 E CA 0.972 57.539 56.400 0.278 0.000 0.803 47 E CB -0.232 29.664 29.700 0.325 0.000 0.755 47 E HN 0.298 nan 8.360 nan 0.000 0.453 48 L N 0.934 122.202 121.223 0.076 0.000 2.017 48 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 48 L C 2.240 179.027 176.870 -0.138 0.000 1.073 48 L CA 2.197 56.825 54.840 -0.354 0.000 0.745 48 L CB -0.888 40.824 42.059 -0.578 0.000 0.894 48 L HN 0.095 nan 8.230 nan 0.000 0.432 49 G N -1.254 107.536 108.800 -0.017 0.000 2.422 49 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 49 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 49 G C 1.576 176.584 174.900 0.180 0.000 1.146 49 G CA 0.812 45.989 45.100 0.127 0.000 0.769 49 G HN 0.636 nan 8.290 nan 0.000 0.547 50 A N 0.955 123.893 122.820 0.196 0.000 1.873 50 A HA 0.013 4.333 4.320 -0.001 0.000 0.215 50 A C 2.172 179.877 177.584 0.201 0.000 1.186 50 A CA 1.794 53.945 52.037 0.189 0.000 0.616 50 A CB -0.364 18.741 19.000 0.175 0.000 0.823 50 A HN 0.430 nan 8.150 nan 0.000 0.442 51 E N -0.397 119.965 120.200 0.270 0.000 2.106 51 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 51 E C 1.884 178.698 176.600 0.356 0.000 0.984 51 E CA 1.078 57.683 56.400 0.341 0.000 0.806 51 E CB -0.241 29.800 29.700 0.569 0.000 0.750 51 E HN 0.690 nan 8.360 nan 0.000 0.458 52 I N 1.335 122.095 120.570 0.317 0.000 2.286 52 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 52 I C 2.754 179.035 176.117 0.273 0.000 1.104 52 I CA 1.409 62.914 61.300 0.341 0.000 1.397 52 I CB -0.461 37.609 38.000 0.117 0.000 1.072 52 I HN 0.200 nan 8.210 nan 0.000 0.417 53 T N -2.172 112.489 114.554 0.178 0.000 2.788 53 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 53 T C 1.536 176.301 174.700 0.108 0.000 1.044 53 T CA 1.248 63.428 62.100 0.132 0.000 1.139 53 T CB -0.391 68.550 68.868 0.121 0.000 0.867 53 T HN 0.173 nan 8.240 nan 0.000 0.454 54 D N 0.447 120.920 120.400 0.121 0.000 2.097 54 D HA -0.072 4.567 4.640 -0.001 0.000 0.195 54 D C 1.460 177.778 176.300 0.029 0.000 0.989 54 D CA 0.996 55.037 54.000 0.068 0.000 0.827 54 D CB -0.640 40.207 40.800 0.078 0.000 0.966 54 D HN 0.620 nan 8.370 nan 0.000 0.456 55 W N 1.452 122.654 121.300 -0.164 0.000 2.342 55 W HA -0.143 4.516 4.660 -0.000 0.000 0.297 55 W C 2.007 178.426 176.519 -0.166 0.000 1.213 55 W CA 1.301 58.467 57.345 -0.298 0.000 1.251 55 W CB -0.291 28.809 29.460 -0.599 0.000 1.136 55 W HN -0.071 nan 8.180 nan 0.000 0.526 56 I N -0.252 120.300 120.570 -0.031 0.000 2.277 56 I HA -0.269 3.900 4.170 -0.001 0.000 0.243 56 I C 2.372 178.341 176.117 -0.246 0.000 1.094 56 I CA 1.016 62.183 61.300 -0.222 0.000 1.393 56 I CB -0.776 37.209 38.000 -0.025 0.000 1.078 56 I HN -0.070 nan 8.210 nan 0.000 0.417 57 L N 0.844 121.992 121.223 -0.126 0.000 2.131 57 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 57 L C 2.030 178.828 176.870 -0.120 0.000 1.092 57 L CA 1.081 55.863 54.840 -0.097 0.000 0.759 57 L CB -0.683 41.360 42.059 -0.027 0.000 0.903 57 L HN 0.328 nan 8.230 nan 0.000 0.435 58 N N 0.024 118.629 118.700 -0.159 0.000 2.519 58 N HA -0.173 4.567 4.740 -0.001 0.000 0.186 58 N C 1.397 176.789 175.510 -0.197 0.000 1.062 58 N CA 0.928 53.882 53.050 -0.160 0.000 0.910 58 N CB -0.088 38.294 38.487 -0.175 0.000 0.958 58 N HN 0.552 nan 8.380 nan 0.000 0.445 59 Q N -0.203 119.433 119.800 -0.273 0.000 2.319 59 Q HA 0.117 4.457 4.340 -0.001 0.000 0.202 59 Q C 0.030 175.942 176.000 -0.147 0.000 0.896 59 Q CA -0.159 55.489 55.803 -0.259 0.000 0.942 59 Q CB 0.427 28.915 28.738 -0.416 0.000 1.083 59 Q HN 0.218 nan 8.270 nan 0.000 0.510 60 S N 0.885 116.526 115.700 -0.098 0.000 2.565 60 S HA 0.417 4.886 4.470 -0.001 0.000 0.274 60 S C 0.273 174.961 174.600 0.147 0.000 1.309 60 S CA -0.983 57.248 58.200 0.052 0.000 1.043 60 S CB 1.308 64.559 63.200 0.085 0.000 0.939 60 S HN 0.158 nan 8.310 nan 0.000 0.504 61 R N 2.056 122.734 120.500 0.296 0.000 1.575 61 R HA 0.555 4.895 4.340 -0.001 0.000 0.094 61 R C 0.289 176.631 176.300 0.070 0.000 0.590 61 R CA -0.212 55.968 56.100 0.133 0.000 1.957 61 R CB -0.910 29.488 30.300 0.163 0.000 0.778 61 R HN 0.618 nan 8.270 nan 0.000 0.730 62 E N -1.163 118.953 120.200 -0.139 0.000 3.157 62 E HA 0.258 4.607 4.350 -0.001 0.000 0.203 62 E C -1.355 175.118 176.600 -0.212 0.000 0.982 62 E CA -0.484 55.830 56.400 -0.142 0.000 1.217 62 E CB -0.206 29.397 29.700 -0.162 0.000 1.123 62 E HN 0.375 nan 8.360 nan 0.000 0.457 63 W N -0.043 121.083 121.300 -0.290 0.000 2.225 63 W HA 0.396 5.056 4.660 -0.000 0.000 0.377 63 W C 0.329 176.544 176.519 -0.506 0.000 1.418 63 W CA -0.742 56.361 57.345 -0.403 0.000 1.562 63 W CB 0.284 29.430 29.460 -0.523 0.000 1.297 63 W HN -0.052 nan 8.180 nan 0.000 0.686 64 D N 0.067 120.416 120.400 -0.086 0.000 2.396 64 D HA 0.112 4.752 4.640 -0.001 0.000 0.225 64 D C -0.509 175.711 176.300 -0.134 0.000 1.121 64 D CA -0.442 53.513 54.000 -0.075 0.000 0.853 64 D CB 0.110 40.928 40.800 0.030 0.000 1.043 64 D HN 0.344 nan 8.370 nan 0.000 0.500 65 Y N 1.496 121.858 120.300 0.104 0.000 2.462 65 Y HA 0.025 4.575 4.550 -0.000 0.000 0.293 65 Y C 2.043 178.016 175.900 0.121 0.000 1.195 65 Y CA -0.054 58.103 58.100 0.095 0.000 1.276 65 Y CB 0.256 38.753 38.460 0.063 0.000 1.082 65 Y HN 0.384 nan 8.280 nan 0.000 0.514 66 S N -0.951 114.862 115.700 0.189 0.000 2.577 66 S HA 0.082 4.552 4.470 -0.001 0.000 0.219 66 S C 0.301 174.976 174.600 0.126 0.000 0.962 66 S CA -0.599 57.677 58.200 0.128 0.000 0.921 66 S CB -0.323 62.930 63.200 0.089 0.000 0.789 66 S HN 0.503 nan 8.310 nan 0.000 0.497 67 Q N 0.673 120.549 119.800 0.127 0.000 2.378 67 Q HA 0.627 4.967 4.340 -0.001 0.000 0.276 67 Q C -3.086 172.839 176.000 -0.125 0.000 1.083 67 Q CA -2.982 52.826 55.803 0.008 0.000 0.856 67 Q CB 0.571 29.338 28.738 0.047 0.000 1.383 67 Q HN 0.009 nan 8.270 nan 0.000 0.458 68 P HA -0.048 nan 4.420 nan 0.000 0.265 68 P C 0.510 177.454 177.300 -0.594 0.000 1.193 68 P CA 0.203 63.007 63.100 -0.494 0.000 0.765 68 P CB 0.834 32.189 31.700 -0.575 0.000 0.823 69 L N 2.393 123.146 121.223 -0.784 0.000 2.189 69 L HA -0.249 4.091 4.340 -0.001 0.000 0.214 69 L C 2.678 179.284 176.870 -0.439 0.000 1.097 69 L CA 2.222 56.669 54.840 -0.655 0.000 0.764 69 L CB -0.837 40.802 42.059 -0.700 0.000 0.900 69 L HN 0.483 nan 8.230 nan 0.000 0.436 70 S N -0.458 115.010 115.700 -0.388 0.000 2.383 70 S HA -0.227 4.243 4.470 -0.001 0.000 0.229 70 S C 1.908 176.530 174.600 0.037 0.000 1.030 70 S CA 1.112 59.210 58.200 -0.170 0.000 1.002 70 S CB -0.937 62.237 63.200 -0.044 0.000 0.829 70 S HN 0.410 nan 8.310 nan 0.000 0.467 71 F N 1.097 120.903 119.950 -0.239 0.000 2.075 71 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 71 F C 2.104 177.723 175.800 -0.301 0.000 1.113 71 F CA 0.541 58.409 58.000 -0.221 0.000 1.218 71 F CB -0.303 38.587 39.000 -0.185 0.000 0.984 71 F HN 0.218 nan 8.300 nan 0.000 0.472 72 L N 0.135 121.219 121.223 -0.231 0.000 2.275 72 L HA -0.166 4.174 4.340 -0.001 0.000 0.215 72 L C 1.704 178.227 176.870 -0.577 0.000 1.119 72 L CA 1.688 56.142 54.840 -0.643 0.000 0.790 72 L CB -0.677 40.850 42.059 -0.886 0.000 0.919 72 L HN 0.007 nan 8.230 nan 0.000 0.443 73 K N -0.883 119.317 120.400 -0.332 0.000 2.361 73 K HA 0.314 4.634 4.320 -0.001 0.000 0.194 73 K C 1.032 177.552 176.600 -0.134 0.000 1.032 73 K CA 0.548 56.696 56.287 -0.231 0.000 1.048 73 K CB 0.349 32.729 32.500 -0.200 0.000 0.842 73 K HN 0.240 nan 8.250 nan 0.000 0.526 74 G N 2.817 111.550 108.800 -0.111 0.000 2.272 74 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.280 74 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.280 74 G C -0.681 174.201 174.900 -0.030 0.000 1.067 74 G CA 0.122 45.180 45.100 -0.069 0.000 0.902 74 G HN 0.359 nan 8.290 nan 0.000 0.500 75 E N -0.521 119.678 120.200 -0.002 0.000 2.277 75 E HA 0.553 4.903 4.350 -0.001 0.000 0.274 75 E C 0.539 177.183 176.600 0.073 0.000 1.022 75 E CA -0.786 55.640 56.400 0.043 0.000 0.853 75 E CB 0.955 30.699 29.700 0.075 0.000 1.086 75 E HN 0.049 nan 8.360 nan 0.000 0.397 76 K N 0.883 121.327 120.400 0.072 0.000 2.447 76 K HA 0.127 4.447 4.320 -0.001 0.000 0.205 76 K C -0.093 176.563 176.600 0.093 0.000 1.059 76 K CA 0.132 56.461 56.287 0.071 0.000 1.065 76 K CB 1.017 33.535 32.500 0.030 0.000 0.885 76 K HN 0.680 nan 8.250 nan 0.000 0.545 77 T N -1.938 112.688 114.554 0.119 0.000 2.896 77 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 77 T C -2.783 172.011 174.700 0.156 0.000 1.108 77 T CA -1.657 60.507 62.100 0.108 0.000 1.004 77 T CB 2.894 71.799 68.868 0.062 0.000 1.159 77 T HN -0.241 nan 8.240 nan 0.000 0.499 78 P HA 0.215 nan 4.420 nan 0.000 0.249 78 P C 0.121 177.257 177.300 -0.273 0.000 1.593 78 P CA 0.039 63.079 63.100 -0.101 0.000 0.896 78 P CB -0.149 31.474 31.700 -0.127 0.000 1.581 79 D N 0.240 120.599 120.400 -0.068 0.000 2.264 79 D HA -0.154 4.486 4.640 -0.001 0.000 0.208 79 D C 1.849 178.105 176.300 -0.074 0.000 0.966 79 D CA 0.659 54.617 54.000 -0.071 0.000 0.864 79 D CB -0.386 40.419 40.800 0.008 0.000 0.933 79 D HN 0.220 nan 8.370 nan 0.000 0.499 80 W N 0.455 121.738 121.300 -0.028 0.000 2.342 80 W HA -0.190 4.470 4.660 -0.001 0.000 0.297 80 W C 1.598 178.095 176.519 -0.037 0.000 1.213 80 W CA 0.009 57.333 57.345 -0.036 0.000 1.251 80 W CB -1.336 28.100 29.460 -0.040 0.000 1.136 80 W HN 0.022 nan 8.180 nan 0.000 0.526 81 I N 2.404 122.539 120.570 -0.726 0.000 2.335 81 I HA -0.258 3.911 4.170 -0.001 0.000 0.251 81 I C 2.375 178.335 176.117 -0.263 0.000 1.129 81 I CA 1.644 62.561 61.300 -0.639 0.000 1.402 81 I CB -0.390 37.095 38.000 -0.858 0.000 1.069 81 I HN -0.122 nan 8.210 nan 0.000 0.424 82 K N -0.205 120.073 120.400 -0.205 0.000 2.362 82 K HA -0.048 4.272 4.320 -0.001 0.000 0.200 82 K C 1.624 178.172 176.600 -0.088 0.000 1.046 82 K CA 0.826 57.036 56.287 -0.128 0.000 0.952 82 K CB -0.019 32.418 32.500 -0.104 0.000 0.753 82 K HN 0.364 nan 8.250 nan 0.000 0.466 83 R N -0.161 120.312 120.500 -0.046 0.000 2.397 83 R HA 0.163 4.503 4.340 -0.001 0.000 0.241 83 R C 0.031 176.363 176.300 0.052 0.000 0.914 83 R CA -0.165 55.910 56.100 -0.043 0.000 1.071 83 R CB 0.936 31.220 30.300 -0.027 0.000 1.116 83 R HN -0.069 nan 8.270 nan 0.000 0.524 84 S N 0.374 116.120 115.700 0.077 0.000 2.652 84 S HA 0.360 4.829 4.470 -0.001 0.000 0.270 84 S C -0.155 174.487 174.600 0.070 0.000 1.243 84 S CA -0.490 57.788 58.200 0.130 0.000 0.999 84 S CB 2.277 65.579 63.200 0.170 0.000 0.973 84 S HN -0.142 nan 8.310 nan 0.000 0.544 85 V N 2.370 122.301 119.914 0.028 0.000 2.443 85 V HA 0.340 4.460 4.120 -0.001 0.000 0.293 85 V C -0.566 175.507 176.094 -0.036 0.000 1.021 85 V CA -0.620 61.623 62.300 -0.095 0.000 0.848 85 V CB 1.659 33.328 31.823 -0.257 0.000 0.998 85 V HN 0.674 nan 8.190 nan 0.000 0.424 86 V N 5.353 125.254 119.914 -0.022 0.000 2.439 86 V HA 0.373 4.493 4.120 -0.001 0.000 0.282 86 V C -0.754 175.328 176.094 -0.020 0.000 1.039 86 V CA -0.662 61.673 62.300 0.057 0.000 0.913 86 V CB 1.484 33.403 31.823 0.159 0.000 0.983 86 V HN 0.765 nan 8.190 nan 0.000 0.460 87 Y N 3.271 123.523 120.300 -0.079 0.000 2.328 87 Y HA 0.696 5.246 4.550 -0.001 0.000 0.337 87 Y C 0.492 176.372 175.900 -0.034 0.000 0.966 87 Y CA -0.719 57.297 58.100 -0.140 0.000 1.136 87 Y CB 1.412 39.846 38.460 -0.044 0.000 1.170 87 Y HN 0.701 nan 8.280 nan 0.000 0.470 88 G N 3.451 111.925 108.800 -0.543 0.000 2.325 88 G HA2 0.458 4.417 3.960 -0.001 0.000 0.298 88 G HA3 0.458 4.417 3.960 -0.001 0.000 0.298 88 G C -1.120 173.614 174.900 -0.278 0.000 1.134 88 G CA -0.409 44.664 45.100 -0.046 0.000 0.876 88 G HN 0.647 nan 8.290 nan 0.000 0.452 89 S N 1.183 116.799 115.700 -0.141 0.000 2.541 89 S HA 0.522 4.992 4.470 -0.001 0.000 0.271 89 S C -1.469 173.050 174.600 -0.135 0.000 1.133 89 S CA -0.673 57.454 58.200 -0.122 0.000 0.876 89 S CB 1.662 64.864 63.200 0.003 0.000 1.105 89 S HN 0.796 nan 8.310 nan 0.000 0.470 90 L N 6.205 127.387 121.223 -0.068 0.000 2.335 90 L HA 0.612 4.952 4.340 -0.001 0.000 0.268 90 L C -2.118 174.742 176.870 -0.018 0.000 1.037 90 L CA -2.057 52.730 54.840 -0.088 0.000 0.895 90 L CB 0.990 43.010 42.059 -0.065 0.000 1.266 90 L HN 0.420 nan 8.230 nan 0.000 0.439 91 P HA -0.250 nan 4.420 nan 0.000 0.218 91 P C 1.420 178.793 177.300 0.121 0.000 1.154 91 P CA 1.502 64.582 63.100 -0.035 0.000 0.872 91 P CB 0.061 31.592 31.700 -0.282 0.000 0.790 92 R N -0.801 119.839 120.500 0.233 0.000 2.117 92 R HA -0.135 4.205 4.340 -0.001 0.000 0.243 92 R C 1.520 177.903 176.300 0.139 0.000 1.143 92 R CA 2.288 58.506 56.100 0.197 0.000 0.968 92 R CB -0.721 29.642 30.300 0.104 0.000 0.863 92 R HN 0.181 nan 8.270 nan 0.000 0.444 93 T N -0.737 113.891 114.554 0.123 0.000 2.925 93 T HA 0.006 4.356 4.350 -0.001 0.000 0.245 93 T C 1.723 176.553 174.700 0.218 0.000 1.025 93 T CA 1.251 63.435 62.100 0.140 0.000 1.149 93 T CB -0.243 68.701 68.868 0.126 0.000 0.866 93 T HN 0.281 nan 8.240 nan 0.000 0.437 94 T N 2.518 117.206 114.554 0.222 0.000 2.653 94 T HA -0.110 4.239 4.350 -0.001 0.000 0.268 94 T C 1.930 176.888 174.700 0.431 0.000 1.035 94 T CA 1.460 63.770 62.100 0.350 0.000 1.154 94 T CB -0.400 68.635 68.868 0.277 0.000 0.862 94 T HN 0.426 nan 8.240 nan 0.000 0.441 95 A N 0.438 123.403 122.820 0.243 0.000 2.379 95 A HA 0.708 5.027 4.320 -0.001 0.000 0.236 95 A C 0.943 178.764 177.584 0.396 0.000 1.272 95 A CA -0.102 52.050 52.037 0.191 0.000 0.886 95 A CB -0.217 18.755 19.000 -0.047 0.000 0.962 95 A HN 0.488 nan 8.150 nan 0.000 0.504 96 A N -0.279 122.757 122.820 0.360 0.000 2.363 96 A HA 0.606 4.925 4.320 -0.001 0.000 0.270 96 A C -0.736 177.008 177.584 0.267 0.000 1.121 96 A CA 0.016 52.228 52.037 0.291 0.000 0.800 96 A CB 0.077 19.157 19.000 0.134 0.000 1.052 96 A HN 0.786 nan 8.150 nan 0.000 0.493 97 Y N 1.638 121.884 120.300 -0.089 0.000 2.521 97 Y HA 0.273 4.822 4.550 -0.001 0.000 0.326 97 Y C -0.587 174.956 175.900 -0.595 0.000 1.176 97 Y CA -1.029 56.819 58.100 -0.420 0.000 1.079 97 Y CB 1.334 39.309 38.460 -0.808 0.000 1.341 97 Y HN 0.691 nan 8.280 nan 0.000 0.456 98 N N 4.167 122.312 118.700 -0.925 0.000 2.466 98 N HA 0.034 4.774 4.740 -0.001 0.000 0.263 98 N C 0.519 175.683 175.510 -0.577 0.000 1.178 98 N CA 0.462 53.153 53.050 -0.598 0.000 0.983 98 N CB -0.010 38.227 38.487 -0.416 0.000 1.331 98 N HN 0.717 nan 8.380 nan 0.000 0.500 99 H N 2.264 121.192 119.070 -0.237 0.000 2.543 99 H HA -0.041 4.515 4.556 -0.000 0.000 0.286 99 H C 0.973 176.270 175.328 -0.052 0.000 1.037 99 H CA 0.728 56.588 56.048 -0.314 0.000 1.250 99 H CB 0.493 29.808 29.762 -0.745 0.000 1.373 99 H HN 0.573 nan 8.280 nan 0.000 0.580 100 K N 0.030 120.494 120.400 0.107 0.000 2.211 100 K HA -0.049 4.271 4.320 -0.001 0.000 0.203 100 K C 1.465 178.194 176.600 0.215 0.000 1.050 100 K CA 0.768 57.169 56.287 0.189 0.000 0.945 100 K CB 0.191 32.751 32.500 0.100 0.000 0.732 100 K HN 0.407 nan 8.250 nan 0.000 0.451 101 G N 1.462 110.302 108.800 0.067 0.000 2.143 101 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.249 101 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.249 101 G C -0.004 174.961 174.900 0.109 0.000 0.981 101 G CA 0.475 45.634 45.100 0.098 0.000 0.665 101 G HN 0.501 nan 8.290 nan 0.000 0.528 102 S N -2.087 113.630 115.700 0.029 0.000 2.611 102 S HA 0.906 5.376 4.470 -0.001 0.000 0.268 102 S C 0.903 175.476 174.600 -0.044 0.000 1.156 102 S CA 0.642 58.842 58.200 -0.000 0.000 0.817 102 S CB 1.576 64.804 63.200 0.047 0.000 1.122 102 S HN 2.406 nan 8.310 nan 0.000 0.466 103 G N 0.657 109.412 108.800 -0.076 0.000 2.575 103 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.267 103 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.267 103 G C -1.001 173.764 174.900 -0.224 0.000 1.264 103 G CA 0.304 45.363 45.100 -0.070 0.000 0.935 103 G HN 1.258 nan 8.290 nan 0.000 0.568 104 Y N -0.709 119.566 120.300 -0.042 0.000 2.387 104 Y HA 0.562 5.111 4.550 -0.001 0.000 0.330 104 Y C 0.707 176.608 175.900 0.002 0.000 1.133 104 Y CA -0.249 57.827 58.100 -0.039 0.000 1.152 104 Y CB 1.052 39.487 38.460 -0.041 0.000 1.215 104 Y HN 0.698 nan 8.280 nan 0.000 0.466 105 Y N 2.071 122.385 120.300 0.023 0.000 2.788 105 Y HA 0.121 4.671 4.550 -0.000 0.000 0.341 105 Y C -0.385 175.551 175.900 0.060 0.000 1.258 105 Y CA 0.108 58.225 58.100 0.029 0.000 1.503 105 Y CB 0.382 38.946 38.460 0.173 0.000 1.325 105 Y HN 0.621 nan 8.280 nan 0.000 0.614 106 E N 3.970 123.750 120.200 -0.701 0.000 2.308 106 E HA 0.068 4.418 4.350 -0.001 0.000 0.275 106 E C 0.047 176.165 176.600 -0.802 0.000 0.890 106 E CA -0.686 55.435 56.400 -0.465 0.000 0.754 106 E CB 1.915 31.491 29.700 -0.207 0.000 1.207 106 E HN 0.738 nan 8.360 nan 0.000 0.426 107 E N 1.963 121.875 120.200 -0.479 0.000 2.086 107 E HA -0.153 4.197 4.350 -0.001 0.000 0.200 107 E C -0.231 176.223 176.600 -0.243 0.000 1.012 107 E CA 1.566 57.738 56.400 -0.381 0.000 0.812 107 E CB 0.226 29.798 29.700 -0.213 0.000 0.743 107 E HN 0.321 nan 8.360 nan 0.000 0.453 108 N N 0.827 119.433 118.700 -0.156 0.000 2.310 108 N HA 0.161 4.900 4.740 -0.001 0.000 0.292 108 N C -1.646 173.827 175.510 -0.062 0.000 1.049 108 N CA -0.452 52.559 53.050 -0.065 0.000 0.849 108 N CB 1.833 40.309 38.487 -0.019 0.000 1.532 108 N HN 0.087 nan 8.380 nan 0.000 0.479 109 D N -0.865 119.517 120.400 -0.030 0.000 2.442 109 D HA 0.167 4.806 4.640 -0.001 0.000 0.254 109 D C 0.897 177.165 176.300 -0.054 0.000 1.069 109 D CA -0.753 53.226 54.000 -0.035 0.000 1.017 109 D CB 0.904 41.701 40.800 -0.004 0.000 1.172 109 D HN 0.065 nan 8.370 nan 0.000 0.561 110 V N -0.012 119.871 119.914 -0.053 0.000 2.867 110 V HA -0.098 4.022 4.120 -0.001 0.000 0.260 110 V C 1.554 177.572 176.094 -0.127 0.000 1.099 110 V CA 1.309 63.570 62.300 -0.065 0.000 1.122 110 V CB -0.760 31.040 31.823 -0.038 0.000 0.708 110 V HN 0.515 nan 8.190 nan 0.000 0.490 111 L N -0.088 121.003 121.223 -0.219 0.000 2.558 111 L HA 0.320 4.660 4.340 -0.001 0.000 0.225 111 L C 1.798 178.282 176.870 -0.643 0.000 1.128 111 L CA 0.891 55.466 54.840 -0.441 0.000 0.868 111 L CB -0.373 41.326 42.059 -0.600 0.000 1.006 111 L HN 0.500 nan 8.230 nan 0.000 0.454 112 G N -0.220 108.349 108.800 -0.384 0.000 2.176 112 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.232 112 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.232 112 G C 0.166 175.031 174.900 -0.058 0.000 0.986 112 G CA -0.537 44.434 45.100 -0.215 0.000 0.643 112 G HN 0.231 nan 8.290 nan 0.000 0.522 113 F N 0.612 120.620 119.950 0.096 0.000 2.384 113 F HA 0.567 5.093 4.527 -0.001 0.000 0.338 113 F C 1.085 176.940 175.800 0.092 0.000 1.103 113 F CA -1.001 57.076 58.000 0.128 0.000 1.157 113 F CB 0.968 40.083 39.000 0.193 0.000 1.167 113 F HN 0.029 nan 8.300 nan 0.000 0.529 114 R N 2.658 123.343 120.500 0.309 0.000 2.205 114 R HA 0.140 4.479 4.340 -0.001 0.000 0.342 114 R C 0.407 176.843 176.300 0.226 0.000 1.058 114 R CA -0.139 56.061 56.100 0.166 0.000 0.904 114 R CB 0.523 30.887 30.300 0.108 0.000 1.089 114 R HN 0.769 nan 8.270 nan 0.000 0.471 115 E N 2.787 123.028 120.200 0.069 0.000 2.285 115 E HA -0.006 4.343 4.350 -0.001 0.000 0.194 115 E C 0.432 177.119 176.600 0.146 0.000 0.997 115 E CA 0.434 56.831 56.400 -0.006 0.000 0.845 115 E CB 0.235 29.668 29.700 -0.445 0.000 0.782 115 E HN 0.696 nan 8.360 nan 0.000 0.491 116 A N 1.500 124.390 122.820 0.117 0.000 2.429 116 A HA 0.360 4.680 4.320 -0.001 0.000 0.242 116 A C 0.772 178.460 177.584 0.173 0.000 1.088 116 A CA 0.272 52.424 52.037 0.192 0.000 0.784 116 A CB 0.167 19.199 19.000 0.054 0.000 1.038 116 A HN 0.184 nan 8.150 nan 0.000 0.501 117 G N 0.172 109.069 108.800 0.163 0.000 2.398 117 G HA2 0.473 4.432 3.960 -0.001 0.000 0.246 117 G HA3 0.473 4.432 3.960 -0.001 0.000 0.246 117 G C 0.239 175.220 174.900 0.134 0.000 1.289 117 G CA 0.645 45.841 45.100 0.161 0.000 0.869 117 G HN 1.305 nan 8.290 nan 0.000 0.543 118 T N -0.751 113.861 114.554 0.097 0.000 2.916 118 T HA 0.470 4.820 4.350 -0.001 0.000 0.292 118 T C 0.754 175.466 174.700 0.020 0.000 1.055 118 T CA -0.762 61.370 62.100 0.053 0.000 1.009 118 T CB 1.285 70.213 68.868 0.100 0.000 1.118 118 T HN 0.133 nan 8.240 nan 0.000 0.497 119 F N -0.069 119.918 119.950 0.062 0.000 2.269 119 F HA 0.111 4.638 4.527 -0.001 0.000 0.301 119 F C 1.862 177.666 175.800 0.006 0.000 1.082 119 F CA 0.241 58.183 58.000 -0.097 0.000 1.360 119 F CB -0.985 38.024 39.000 0.015 0.000 1.041 119 F HN 0.734 nan 8.300 nan 0.000 0.512 120 F N 0.983 121.007 119.950 0.123 0.000 2.146 120 F HA -0.160 4.366 4.527 -0.000 0.000 0.298 120 F C 2.219 177.999 175.800 -0.034 0.000 1.096 120 F CA 1.577 59.599 58.000 0.037 0.000 1.275 120 F CB -0.249 38.746 39.000 -0.008 0.000 1.008 120 F HN -0.197 nan 8.300 nan 0.000 0.480 121 K N -0.344 119.936 120.400 -0.200 0.000 2.155 121 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 121 K C 1.950 178.300 176.600 -0.416 0.000 1.052 121 K CA 1.032 57.071 56.287 -0.413 0.000 0.948 121 K CB -0.087 32.289 32.500 -0.206 0.000 0.728 121 K HN 0.271 nan 8.250 nan 0.000 0.448 122 M N 0.194 119.650 119.600 -0.239 0.000 2.279 122 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 122 M C 2.002 178.289 176.300 -0.021 0.000 1.062 122 M CA 1.537 56.714 55.300 -0.205 0.000 1.099 122 M CB -0.551 31.819 32.600 -0.383 0.000 1.394 122 M HN 0.242 nan 8.290 nan 0.000 0.426 123 M N -0.396 119.208 119.600 0.007 0.000 2.156 123 M HA -0.152 4.328 4.480 -0.001 0.000 0.264 123 M C 2.044 178.252 176.300 -0.154 0.000 1.067 123 M CA 1.278 56.612 55.300 0.057 0.000 1.131 123 M CB -0.314 32.322 32.600 0.060 0.000 1.368 123 M HN 0.185 nan 8.290 nan 0.000 0.416 124 L N -0.141 120.852 121.223 -0.382 0.000 2.191 124 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 124 L C 2.023 178.619 176.870 -0.457 0.000 1.103 124 L CA 0.891 55.456 54.840 -0.457 0.000 0.769 124 L CB -0.625 41.050 42.059 -0.641 0.000 0.908 124 L HN 0.372 nan 8.230 nan 0.000 0.438 125 L N -0.800 120.130 121.223 -0.488 0.000 2.492 125 L HA -0.066 4.274 4.340 -0.001 0.000 0.223 125 L C 2.330 179.082 176.870 -0.197 0.000 1.132 125 L CA 0.069 54.616 54.840 -0.489 0.000 0.850 125 L CB -0.143 41.558 42.059 -0.596 0.000 0.966 125 L HN 0.273 nan 8.230 nan 0.000 0.454 126 L N 0.449 121.606 121.223 -0.111 0.000 2.081 126 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 126 L C -0.192 176.669 176.870 -0.014 0.000 1.080 126 L CA 1.760 56.585 54.840 -0.025 0.000 0.754 126 L CB -1.580 40.487 42.059 0.014 0.000 0.893 126 L HN 0.276 nan 8.230 nan 0.000 0.433 127 P HA -0.201 nan 4.420 nan 0.000 0.217 127 P C 1.508 178.736 177.300 -0.120 0.000 1.150 127 P CA 1.233 64.242 63.100 -0.151 0.000 0.832 127 P CB -0.044 31.400 31.700 -0.427 0.000 0.787 128 F N 0.485 120.283 119.950 -0.253 0.000 2.075 128 F HA -0.204 4.322 4.527 -0.001 0.000 0.297 128 F C 2.004 177.683 175.800 -0.202 0.000 1.113 128 F CA 1.461 59.334 58.000 -0.212 0.000 1.218 128 F CB -0.962 37.894 39.000 -0.240 0.000 0.984 128 F HN -0.320 nan 8.300 nan 0.000 0.472 129 V N 0.522 120.338 119.914 -0.164 0.000 2.332 129 V HA -0.346 3.774 4.120 -0.001 0.000 0.248 129 V C 2.404 178.312 176.094 -0.310 0.000 1.055 129 V CA 2.351 64.434 62.300 -0.362 0.000 1.038 129 V CB -0.835 30.824 31.823 -0.274 0.000 0.651 129 V HN 0.249 nan 8.190 nan 0.000 0.450 130 K N 1.290 121.587 120.400 -0.173 0.000 2.097 130 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 130 K C 2.281 178.796 176.600 -0.143 0.000 1.049 130 K CA 1.685 57.911 56.287 -0.101 0.000 0.933 130 K CB -0.567 31.951 32.500 0.030 0.000 0.717 130 K HN 0.627 nan 8.250 nan 0.000 0.442 131 S N -0.148 115.426 115.700 -0.211 0.000 2.507 131 S HA -0.064 4.405 4.470 -0.001 0.000 0.235 131 S C 1.726 176.163 174.600 -0.271 0.000 0.988 131 S CA 0.752 58.820 58.200 -0.219 0.000 0.944 131 S CB -0.393 62.653 63.200 -0.256 0.000 0.762 131 S HN 0.323 nan 8.310 nan 0.000 0.526 132 L N 0.414 121.426 121.223 -0.352 0.000 2.341 132 L HA 0.267 4.607 4.340 -0.001 0.000 0.214 132 L C 2.090 178.832 176.870 -0.213 0.000 1.115 132 L CA 0.634 55.296 54.840 -0.298 0.000 0.820 132 L CB -0.713 41.141 42.059 -0.342 0.000 0.944 132 L HN 0.630 nan 8.230 nan 0.000 0.452 133 G N -0.180 108.499 108.800 -0.202 0.000 2.179 133 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.220 133 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.220 133 G C 0.333 175.101 174.900 -0.220 0.000 0.990 133 G CA -0.089 44.887 45.100 -0.207 0.000 0.646 133 G HN 0.455 nan 8.290 nan 0.000 0.517 134 A N 0.660 123.374 122.820 -0.176 0.000 2.388 134 A HA 0.591 4.911 4.320 -0.001 0.000 0.257 134 A C 0.799 178.342 177.584 -0.068 0.000 1.095 134 A CA 0.782 52.750 52.037 -0.116 0.000 0.791 134 A CB 0.384 19.346 19.000 -0.063 0.000 1.029 134 A HN 0.867 nan 8.150 nan 0.000 0.489 135 D N -0.439 119.950 120.400 -0.019 0.000 2.599 135 D HA 0.481 5.121 4.640 -0.001 0.000 0.249 135 D C -0.305 176.033 176.300 0.062 0.000 1.313 135 D CA 0.552 54.559 54.000 0.011 0.000 0.815 135 D CB 0.212 41.026 40.800 0.022 0.000 1.077 135 D HN 0.704 nan 8.370 nan 0.000 0.492 136 A N 0.334 123.211 122.820 0.095 0.000 2.513 136 A HA 0.607 4.926 4.320 -0.001 0.000 0.296 136 A C -1.458 176.236 177.584 0.182 0.000 1.052 136 A CA -0.737 51.396 52.037 0.161 0.000 0.714 136 A CB 1.014 20.167 19.000 0.256 0.000 1.279 136 A HN 0.177 nan 8.150 nan 0.000 0.397 137 I N 2.729 123.417 120.570 0.196 0.000 2.362 137 I HA 0.314 4.484 4.170 -0.001 0.000 0.289 137 I C -0.875 175.399 176.117 0.261 0.000 0.994 137 I CA -0.661 60.789 61.300 0.251 0.000 1.158 137 I CB 1.542 39.702 38.000 0.267 0.000 1.315 137 I HN 0.770 nan 8.210 nan 0.000 0.451 138 Y N 7.945 128.340 120.300 0.157 0.000 2.330 138 Y HA 0.675 5.224 4.550 -0.001 0.000 0.336 138 Y C -1.416 174.537 175.900 0.088 0.000 1.036 138 Y CA -0.745 57.432 58.100 0.128 0.000 1.125 138 Y CB 0.960 39.517 38.460 0.162 0.000 1.194 138 Y HN 0.370 nan 8.280 nan 0.000 0.469 139 L N 6.821 127.620 121.223 -0.707 0.000 2.346 139 L HA 0.417 4.756 4.340 -0.001 0.000 0.274 139 L C -0.712 175.602 176.870 -0.927 0.000 1.007 139 L CA -1.193 53.238 54.840 -0.682 0.000 0.818 139 L CB 1.509 43.371 42.059 -0.327 0.000 1.284 139 L HN 0.573 nan 8.230 nan 0.000 0.424 140 L N 3.175 123.991 121.223 -0.678 0.000 2.476 140 L HA 0.293 4.632 4.340 -0.001 0.000 0.255 140 L C -1.982 174.578 176.870 -0.516 0.000 1.218 140 L CA -1.059 53.478 54.840 -0.506 0.000 0.819 140 L CB -0.357 41.471 42.059 -0.384 0.000 1.119 140 L HN 0.339 nan 8.230 nan 0.000 0.485 141 P HA -0.088 nan 4.420 nan 0.000 0.261 141 P C 0.037 177.117 177.300 -0.366 0.000 1.165 141 P CA 0.489 63.278 63.100 -0.518 0.000 0.759 141 P CB 0.200 31.553 31.700 -0.578 0.000 0.772 142 V N 0.315 120.039 119.914 -0.317 0.000 3.276 142 V HA 0.151 4.271 4.120 -0.001 0.000 0.319 142 V C 0.485 176.571 176.094 -0.014 0.000 1.427 142 V CA -0.186 62.021 62.300 -0.156 0.000 1.102 142 V CB -0.491 31.133 31.823 -0.332 0.000 1.020 142 V HN 0.445 nan 8.190 nan 0.000 0.456 143 S N 0.706 116.376 115.700 -0.050 0.000 2.608 143 S HA 0.369 4.839 4.470 -0.001 0.000 0.261 143 S C 0.316 174.974 174.600 0.097 0.000 1.314 143 S CA -0.566 57.679 58.200 0.075 0.000 0.992 143 S CB 0.754 64.019 63.200 0.109 0.000 0.935 143 S HN 0.674 nan 8.310 nan 0.000 0.564 144 R N 0.485 121.065 120.500 0.134 0.000 2.502 144 R HA 0.107 4.446 4.340 -0.001 0.000 0.292 144 R C -0.480 175.873 176.300 0.087 0.000 0.998 144 R CA 0.372 56.538 56.100 0.109 0.000 1.056 144 R CB -0.111 30.265 30.300 0.126 0.000 0.939 144 R HN 0.636 nan 8.270 nan 0.000 0.411 145 M N 2.433 122.066 119.600 0.054 0.000 2.367 145 M HA 0.162 4.642 4.480 -0.001 0.000 0.339 145 M C 0.333 176.675 176.300 0.070 0.000 1.177 145 M CA -0.343 54.986 55.300 0.049 0.000 1.068 145 M CB 1.988 34.594 32.600 0.009 0.000 1.602 145 M HN 0.546 nan 8.290 nan 0.000 0.457 146 S N 0.265 116.022 115.700 0.095 0.000 2.565 146 S HA 0.099 4.569 4.470 -0.001 0.000 0.276 146 S C 0.186 174.844 174.600 0.097 0.000 1.326 146 S CA -0.466 57.798 58.200 0.108 0.000 1.045 146 S CB 0.405 63.693 63.200 0.146 0.000 0.918 146 S HN 0.679 nan 8.310 nan 0.000 0.505 147 D N 2.966 123.413 120.400 0.078 0.000 2.363 147 D HA 0.261 4.900 4.640 -0.001 0.000 0.214 147 D C -0.058 176.268 176.300 0.044 0.000 1.093 147 D CA 0.213 54.250 54.000 0.061 0.000 0.837 147 D CB 0.153 40.978 40.800 0.043 0.000 0.948 147 D HN 0.429 nan 8.370 nan 0.000 0.507 148 L N -0.210 121.051 121.223 0.063 0.000 2.344 148 L HA 0.284 4.623 4.340 -0.001 0.000 0.272 148 L C 0.186 177.136 176.870 0.133 0.000 1.035 148 L CA -0.860 53.967 54.840 -0.022 0.000 0.807 148 L CB 0.798 42.829 42.059 -0.047 0.000 1.237 148 L HN -0.073 nan 8.230 nan 0.000 0.442 149 F N 0.074 120.057 119.950 0.055 0.000 3.067 149 F HA -0.260 4.266 4.527 -0.001 0.000 0.279 149 F C 0.602 176.436 175.800 0.056 0.000 0.945 149 F CA 0.533 58.565 58.000 0.053 0.000 0.948 149 F CB -1.682 37.354 39.000 0.060 0.000 0.898 149 F HN 0.461 nan 8.300 nan 0.000 0.746 150 K N 0.398 120.895 120.400 0.161 0.000 2.126 150 K HA 0.282 4.602 4.320 -0.001 0.000 0.257 150 K C 1.092 177.741 176.600 0.081 0.000 1.007 150 K CA -0.627 55.742 56.287 0.137 0.000 0.928 150 K CB 0.895 33.462 32.500 0.111 0.000 1.013 150 K HN 0.246 nan 8.250 nan 0.000 0.473 151 K N 0.464 120.884 120.400 0.033 0.000 2.367 151 K HA 0.103 4.423 4.320 -0.001 0.000 0.194 151 K C 0.743 177.330 176.600 -0.022 0.000 1.027 151 K CA -0.053 56.174 56.287 -0.100 0.000 1.075 151 K CB 0.835 33.048 32.500 -0.478 0.000 0.845 151 K HN 0.750 nan 8.250 nan 0.000 0.529 152 G N 1.209 110.055 108.800 0.076 0.000 2.846 152 G HA2 0.026 3.985 3.960 -0.001 0.000 0.299 152 G HA3 0.026 3.985 3.960 -0.001 0.000 0.299 152 G C -1.039 173.887 174.900 0.043 0.000 1.242 152 G CA -0.401 44.745 45.100 0.077 0.000 0.800 152 G HN 0.081 nan 8.290 nan 0.000 0.538 153 D N -0.512 119.873 120.400 -0.025 0.000 2.340 153 D HA 0.475 5.115 4.640 -0.001 0.000 0.220 153 D C 0.760 176.988 176.300 -0.119 0.000 1.039 153 D CA 0.634 54.584 54.000 -0.083 0.000 0.866 153 D CB 0.516 41.234 40.800 -0.137 0.000 0.913 153 D HN 0.590 nan 8.370 nan 0.000 0.523 154 A N 0.834 123.616 122.820 -0.063 0.000 2.386 154 A HA 0.639 4.958 4.320 -0.001 0.000 0.311 154 A C -2.793 174.848 177.584 0.095 0.000 1.068 154 A CA -1.675 50.370 52.037 0.013 0.000 0.743 154 A CB 1.643 20.644 19.000 0.002 0.000 1.258 154 A HN -0.041 nan 8.150 nan 0.000 0.429 155 P HA 0.162 nan 4.420 nan 0.000 0.274 155 P C 0.079 177.421 177.300 0.068 0.000 1.231 155 P CA -0.023 63.140 63.100 0.104 0.000 0.790 155 P CB 1.252 32.993 31.700 0.068 0.000 0.951 156 S N 2.261 118.043 115.700 0.137 0.000 2.549 156 S HA 0.181 4.651 4.470 -0.001 0.000 0.279 156 S C -1.225 173.322 174.600 -0.089 0.000 1.321 156 S CA -1.491 56.732 58.200 0.038 0.000 1.054 156 S CB -0.153 63.212 63.200 0.275 0.000 0.899 156 S HN 0.315 nan 8.310 nan 0.000 0.497 157 P HA -0.053 nan 4.420 nan 0.000 0.230 157 P C 0.211 177.243 177.300 -0.448 0.000 1.158 157 P CA 1.003 63.860 63.100 -0.404 0.000 0.769 157 P CB -0.124 31.213 31.700 -0.606 0.000 0.807 158 Y N -0.539 119.693 120.300 -0.113 0.000 2.490 158 Y HA 0.142 4.692 4.550 -0.001 0.000 0.281 158 Y C 1.673 177.583 175.900 0.016 0.000 1.174 158 Y CA 0.245 58.319 58.100 -0.043 0.000 1.295 158 Y CB -0.191 38.242 38.460 -0.044 0.000 1.062 158 Y HN -0.107 nan 8.280 nan 0.000 0.522 159 S N 1.248 117.020 115.700 0.119 0.000 3.363 159 S HA 0.271 4.741 4.470 -0.001 0.000 0.267 159 S C -0.373 174.293 174.600 0.111 0.000 1.288 159 S CA -0.494 57.786 58.200 0.133 0.000 0.948 159 S CB -0.809 62.478 63.200 0.146 0.000 1.397 159 S HN 0.005 nan 8.310 nan 0.000 0.493 160 V N 6.427 126.415 119.914 0.125 0.000 2.387 160 V HA 0.186 4.306 4.120 -0.001 0.000 0.260 160 V C 1.416 177.613 176.094 0.171 0.000 1.054 160 V CA -0.026 62.354 62.300 0.133 0.000 0.967 160 V CB 0.834 32.749 31.823 0.153 0.000 1.036 160 V HN 0.753 nan 8.190 nan 0.000 0.481 161 K N 3.653 124.147 120.400 0.157 0.000 2.186 161 K HA 0.043 4.363 4.320 -0.001 0.000 0.202 161 K C 0.691 177.408 176.600 0.194 0.000 1.052 161 K CA 0.576 56.965 56.287 0.169 0.000 0.965 161 K CB 0.261 32.842 32.500 0.134 0.000 0.746 161 K HN 0.648 nan 8.250 nan 0.000 0.457 162 N N -0.416 118.405 118.700 0.201 0.000 2.599 162 N HA 0.162 4.902 4.740 -0.001 0.000 0.283 162 N C -2.638 173.034 175.510 0.271 0.000 1.160 162 N CA -1.483 51.709 53.050 0.237 0.000 0.869 162 N CB 1.988 40.594 38.487 0.198 0.000 1.448 162 N HN -0.223 nan 8.380 nan 0.000 0.535 163 P HA 0.005 nan 4.420 nan 0.000 0.220 163 P C 1.299 178.832 177.300 0.387 0.000 1.148 163 P CA 1.021 64.334 63.100 0.356 0.000 0.803 163 P CB 0.319 32.243 31.700 0.372 0.000 0.782 164 M N -1.303 118.456 119.600 0.265 0.000 2.561 164 M HA 0.098 4.578 4.480 -0.001 0.000 0.238 164 M C 0.126 176.520 176.300 0.158 0.000 1.131 164 M CA 0.912 56.263 55.300 0.085 0.000 1.046 164 M CB -0.464 32.049 32.600 -0.145 0.000 1.532 164 M HN -0.053 nan 8.290 nan 0.000 0.497 165 E N 0.830 121.186 120.200 0.259 0.000 2.256 165 E HA 0.549 4.899 4.350 -0.001 0.000 0.267 165 E C -0.716 176.053 176.600 0.281 0.000 0.892 165 E CA -0.563 55.989 56.400 0.252 0.000 0.775 165 E CB 2.491 32.303 29.700 0.187 0.000 1.207 165 E HN 0.193 nan 8.360 nan 0.000 0.420 166 L N 1.132 122.519 121.223 0.274 0.000 2.399 166 L HA 0.219 4.559 4.340 -0.001 0.000 0.266 166 L C 0.824 177.825 176.870 0.219 0.000 1.114 166 L CA -0.540 54.443 54.840 0.238 0.000 0.804 166 L CB 0.531 42.732 42.059 0.237 0.000 1.146 166 L HN 0.373 nan 8.230 nan 0.000 0.451 167 D N 1.485 122.014 120.400 0.215 0.000 2.383 167 D HA -0.068 4.572 4.640 -0.001 0.000 0.252 167 D C 0.822 177.178 176.300 0.092 0.000 1.166 167 D CA -0.032 54.037 54.000 0.115 0.000 0.879 167 D CB 1.518 42.327 40.800 0.014 0.000 1.164 167 D HN 0.583 nan 8.370 nan 0.000 0.462 168 E N 3.892 124.135 120.200 0.072 0.000 2.273 168 E HA -0.219 4.130 4.350 -0.001 0.000 0.198 168 E C 1.549 178.172 176.600 0.038 0.000 1.002 168 E CA 1.333 57.783 56.400 0.083 0.000 0.828 168 E CB 0.050 29.787 29.700 0.063 0.000 0.747 168 E HN 0.452 nan 8.360 nan 0.000 0.491 169 R N -1.150 119.285 120.500 -0.107 0.000 2.241 169 R HA -0.091 4.248 4.340 -0.001 0.000 0.224 169 R C 1.297 177.397 176.300 -0.334 0.000 1.101 169 R CA 1.105 57.077 56.100 -0.213 0.000 0.995 169 R CB -0.226 29.893 30.300 -0.302 0.000 0.870 169 R HN 0.386 nan 8.270 nan 0.000 0.463 170 Y N -1.213 118.960 120.300 -0.212 0.000 2.529 170 Y HA -0.039 4.511 4.550 -0.001 0.000 0.290 170 Y C 0.805 176.547 175.900 -0.264 0.000 1.177 170 Y CA -0.323 57.460 58.100 -0.528 0.000 1.305 170 Y CB -0.082 37.538 38.460 -1.400 0.000 1.047 170 Y HN 0.120 nan 8.280 nan 0.000 0.522 171 H N 0.684 119.766 119.070 0.021 0.000 2.652 171 H HA 0.099 4.655 4.556 -0.001 0.000 0.349 171 H C -0.697 174.688 175.328 0.096 0.000 1.099 171 H CA -0.423 55.693 56.048 0.113 0.000 1.417 171 H CB 0.598 30.428 29.762 0.113 0.000 1.457 171 H HN -0.020 nan 8.280 nan 0.000 0.568 172 D N 5.475 125.481 120.400 -0.657 0.000 2.381 172 D HA 0.136 4.776 4.640 -0.001 0.000 0.235 172 D C -1.753 174.175 176.300 -0.621 0.000 1.068 172 D CA -2.188 51.560 54.000 -0.421 0.000 0.832 172 D CB 1.923 42.676 40.800 -0.079 0.000 1.101 172 D HN 0.465 nan 8.370 nan 0.000 0.515 173 P HA -0.131 nan 4.420 nan 0.000 0.222 173 P C 1.745 179.104 177.300 0.098 0.000 1.142 173 P CA 0.551 63.666 63.100 0.025 0.000 0.788 173 P CB 0.543 32.309 31.700 0.110 0.000 0.767 174 L N -1.177 120.065 121.223 0.030 0.000 2.201 174 L HA -0.055 4.284 4.340 -0.001 0.000 0.212 174 L C 1.809 178.837 176.870 0.264 0.000 1.105 174 L CA 0.962 55.855 54.840 0.088 0.000 0.775 174 L CB -0.478 41.441 42.059 -0.233 0.000 0.913 174 L HN -0.057 nan 8.230 nan 0.000 0.440 175 L N -0.342 120.929 121.223 0.080 0.000 3.029 175 L HA 0.109 4.448 4.340 -0.001 0.000 0.231 175 L C 1.478 178.529 176.870 0.302 0.000 1.327 175 L CA -0.341 54.611 54.840 0.187 0.000 1.166 175 L CB 0.106 42.136 42.059 -0.047 0.000 1.532 175 L HN 0.108 nan 8.230 nan 0.000 0.473 176 E N 1.924 122.289 120.200 0.276 0.000 2.086 176 E HA -0.195 4.155 4.350 -0.001 0.000 0.200 176 E C -0.562 176.094 176.600 0.093 0.000 1.012 176 E CA 1.755 58.300 56.400 0.241 0.000 0.812 176 E CB -0.745 29.065 29.700 0.183 0.000 0.743 176 E HN 0.417 nan 8.360 nan 0.000 0.453 177 P HA -0.048 nan 4.420 nan 0.000 0.236 177 P C -0.392 176.626 177.300 -0.470 0.000 1.172 177 P CA 0.731 63.617 63.100 -0.357 0.000 0.759 177 P CB -0.186 31.113 31.700 -0.669 0.000 0.843 178 F N -0.922 118.989 119.950 -0.065 0.000 2.579 178 F HA 0.524 5.051 4.527 -0.000 0.000 0.324 178 F C 0.857 176.691 175.800 0.057 0.000 1.058 178 F CA -1.314 56.691 58.000 0.009 0.000 0.944 178 F CB 1.231 40.252 39.000 0.035 0.000 1.245 178 F HN -0.545 nan 8.300 nan 0.000 0.477 179 K N 0.213 120.771 120.400 0.263 0.000 2.098 179 K HA 0.440 4.759 4.320 -0.001 0.000 0.258 179 K C 0.546 177.328 176.600 0.303 0.000 0.973 179 K CA -0.457 55.934 56.287 0.173 0.000 0.898 179 K CB 1.625 34.204 32.500 0.131 0.000 1.057 179 K HN 0.449 nan 8.250 nan 0.000 0.447 180 V N 2.247 122.332 119.914 0.285 0.000 2.392 180 V HA -0.247 3.873 4.120 -0.001 0.000 0.249 180 V C 0.643 176.994 176.094 0.429 0.000 1.059 180 V CA 2.496 65.044 62.300 0.414 0.000 1.051 180 V CB -0.385 31.659 31.823 0.369 0.000 0.658 180 V HN 0.891 nan 8.190 nan 0.000 0.455 181 D N -0.331 120.288 120.400 0.364 0.000 2.178 181 D HA -0.133 4.506 4.640 -0.001 0.000 0.201 181 D C 2.214 178.775 176.300 0.435 0.000 0.980 181 D CA 1.467 55.726 54.000 0.430 0.000 0.842 181 D CB -0.080 40.970 40.800 0.418 0.000 0.948 181 D HN 0.669 nan 8.370 nan 0.000 0.472 182 E N 0.298 120.708 120.200 0.351 0.000 2.112 182 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 182 E C 1.849 178.604 176.600 0.257 0.000 0.979 182 E CA 0.565 57.152 56.400 0.312 0.000 0.814 182 E CB -0.014 29.898 29.700 0.354 0.000 0.762 182 E HN 0.370 nan 8.360 nan 0.000 0.460 183 E N 0.349 120.726 120.200 0.294 0.000 2.106 183 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 183 E C 1.748 178.463 176.600 0.192 0.000 0.984 183 E CA 0.777 57.332 56.400 0.259 0.000 0.806 183 E CB -0.108 29.827 29.700 0.392 0.000 0.750 183 E HN 0.145 nan 8.360 nan 0.000 0.458 184 F N 2.016 121.925 119.950 -0.069 0.000 2.113 184 F HA -0.109 4.417 4.527 -0.001 0.000 0.297 184 F C 2.173 177.836 175.800 -0.228 0.000 1.103 184 F CA 1.441 59.129 58.000 -0.519 0.000 1.248 184 F CB -0.041 38.425 39.000 -0.890 0.000 0.999 184 F HN -0.237 nan 8.300 nan 0.000 0.475 185 K N 0.146 120.494 120.400 -0.088 0.000 2.063 185 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 185 K C 2.222 178.755 176.600 -0.112 0.000 1.048 185 K CA 1.280 57.569 56.287 0.004 0.000 0.928 185 K CB -0.437 32.228 32.500 0.275 0.000 0.713 185 K HN 0.309 nan 8.250 nan 0.000 0.442 186 A N 0.675 123.474 122.820 -0.034 0.000 1.933 186 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 186 A C 1.953 179.466 177.584 -0.118 0.000 1.175 186 A CA 1.345 53.357 52.037 -0.042 0.000 0.628 186 A CB -0.762 18.243 19.000 0.009 0.000 0.814 186 A HN 0.543 nan 8.150 nan 0.000 0.444 187 F N 0.896 120.675 119.950 -0.286 0.000 2.102 187 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 187 F C 2.067 177.605 175.800 -0.436 0.000 1.105 187 F CA 2.028 59.829 58.000 -0.332 0.000 1.239 187 F CB -0.403 38.358 39.000 -0.398 0.000 0.991 187 F HN 0.010 nan 8.300 nan 0.000 0.474 188 V N 0.460 119.867 119.914 -0.845 0.000 2.626 188 V HA -0.230 3.890 4.120 -0.001 0.000 0.252 188 V C 2.215 177.825 176.094 -0.806 0.000 1.067 188 V CA 2.040 63.758 62.300 -0.969 0.000 1.081 188 V CB -0.722 30.602 31.823 -0.831 0.000 0.686 188 V HN 0.359 nan 8.190 nan 0.000 0.468 189 E N 0.510 120.429 120.200 -0.469 0.000 2.047 189 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 189 E C 2.394 178.796 176.600 -0.330 0.000 0.987 189 E CA 1.278 57.526 56.400 -0.253 0.000 0.799 189 E CB -0.360 29.291 29.700 -0.082 0.000 0.752 189 E HN 0.579 nan 8.360 nan 0.000 0.449 190 A N 0.749 123.359 122.820 -0.350 0.000 1.908 190 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 190 A C 2.434 179.789 177.584 -0.382 0.000 1.181 190 A CA 1.429 53.274 52.037 -0.321 0.000 0.627 190 A CB -0.998 17.863 19.000 -0.232 0.000 0.818 190 A HN 0.389 nan 8.150 nan 0.000 0.445 191 C N -1.370 117.601 119.300 -0.547 0.000 2.413 191 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 191 C C 2.541 177.385 174.990 -0.243 0.000 1.228 191 C CA 1.147 59.894 59.018 -0.453 0.000 1.731 191 C CB -1.824 25.541 27.740 -0.626 0.000 2.042 191 C HN 0.731 nan 8.230 nan 0.000 0.468 192 H N 0.028 118.888 119.070 -0.350 0.000 2.352 192 H HA -0.109 4.446 4.556 -0.001 0.000 0.299 192 H C 2.172 177.270 175.328 -0.383 0.000 1.097 192 H CA 1.455 57.337 56.048 -0.276 0.000 1.311 192 H CB -0.139 29.542 29.762 -0.135 0.000 1.377 192 H HN 0.447 nan 8.280 nan 0.000 0.504 193 I N 0.826 121.076 120.570 -0.533 0.000 2.264 193 I HA -0.271 3.899 4.170 -0.001 0.000 0.248 193 I C 1.723 177.613 176.117 -0.379 0.000 1.111 193 I CA 1.149 61.992 61.300 -0.762 0.000 1.382 193 I CB -0.075 37.472 38.000 -0.755 0.000 1.060 193 I HN 0.249 nan 8.210 nan 0.000 0.418 194 L N 0.286 121.338 121.223 -0.285 0.000 2.599 194 L HA 0.139 4.479 4.340 -0.001 0.000 0.230 194 L C 1.579 178.365 176.870 -0.140 0.000 1.141 194 L CA 0.574 55.295 54.840 -0.198 0.000 0.877 194 L CB -0.389 41.588 42.059 -0.136 0.000 1.009 194 L HN 0.521 nan 8.230 nan 0.000 0.447 195 G N 0.716 109.429 108.800 -0.145 0.000 2.179 195 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 195 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 195 G C 0.249 175.085 174.900 -0.107 0.000 0.977 195 G CA -0.207 44.820 45.100 -0.121 0.000 0.641 195 G HN 0.303 nan 8.290 nan 0.000 0.533 196 I N 2.422 122.935 120.570 -0.095 0.000 2.352 196 I HA 0.326 4.496 4.170 -0.001 0.000 0.290 196 I C 1.059 177.154 176.117 -0.036 0.000 1.036 196 I CA -0.799 60.461 61.300 -0.067 0.000 1.336 196 I CB 0.613 38.561 38.000 -0.086 0.000 1.407 196 I HN 0.004 nan 8.210 nan 0.000 0.497 197 R N 5.168 125.644 120.500 -0.040 0.000 2.582 197 R HA 0.534 4.874 4.340 -0.001 0.000 0.271 197 R C -0.730 175.611 176.300 0.069 0.000 1.078 197 R CA -0.649 55.422 56.100 -0.047 0.000 1.127 197 R CB 1.258 31.440 30.300 -0.197 0.000 1.038 197 R HN 0.318 nan 8.270 nan 0.000 0.500 198 V N 3.984 123.962 119.914 0.106 0.000 2.487 198 V HA 0.451 4.571 4.120 -0.001 0.000 0.298 198 V C 0.076 176.293 176.094 0.206 0.000 1.028 198 V CA -0.639 61.741 62.300 0.133 0.000 0.860 198 V CB 1.727 33.574 31.823 0.040 0.000 0.991 198 V HN 0.557 nan 8.190 nan 0.000 0.427 199 I N 5.836 126.542 120.570 0.226 0.000 2.436 199 I HA 0.497 4.667 4.170 -0.001 0.000 0.289 199 I C -0.418 175.814 176.117 0.192 0.000 1.010 199 I CA -0.302 61.142 61.300 0.241 0.000 1.098 199 I CB 1.722 39.899 38.000 0.295 0.000 1.266 199 I HN 0.371 nan 8.210 nan 0.000 0.434 200 L N 4.263 125.575 121.223 0.148 0.000 2.347 200 L HA 0.614 4.954 4.340 -0.001 0.000 0.268 200 L C -0.494 176.232 176.870 -0.239 0.000 1.019 200 L CA -0.798 53.959 54.840 -0.138 0.000 0.806 200 L CB 1.419 43.299 42.059 -0.298 0.000 1.339 200 L HN 0.518 nan 8.230 nan 0.000 0.463 201 D N -0.095 119.918 120.400 -0.644 0.000 2.649 201 D HA 0.504 5.144 4.640 -0.001 0.000 0.249 201 D C -1.669 174.145 176.300 -0.809 0.000 1.112 201 D CA -0.183 53.558 54.000 -0.432 0.000 0.850 201 D CB 1.817 42.538 40.800 -0.132 0.000 1.399 201 D HN 0.138 nan 8.370 nan 0.000 0.503 202 F N 2.028 122.041 119.950 0.104 0.000 2.588 202 F HA 0.499 5.026 4.527 -0.000 0.000 0.310 202 F C -0.143 175.740 175.800 0.139 0.000 1.082 202 F CA -0.991 57.064 58.000 0.092 0.000 0.929 202 F CB 1.597 40.651 39.000 0.089 0.000 1.254 202 F HN 0.080 nan 8.300 nan 0.000 0.455 203 I N 2.849 123.609 120.570 0.318 0.000 2.595 203 I HA 0.353 4.523 4.170 -0.001 0.000 0.275 203 I C -2.184 174.065 176.117 0.220 0.000 1.092 203 I CA -1.556 59.897 61.300 0.254 0.000 1.145 203 I CB 0.949 39.098 38.000 0.249 0.000 1.276 203 I HN 0.288 nan 8.210 nan 0.000 0.497 204 P HA -0.153 nan 4.420 nan 0.000 0.215 204 P C 1.813 179.180 177.300 0.113 0.000 1.153 204 P CA 0.991 64.167 63.100 0.126 0.000 0.853 204 P CB 0.261 31.994 31.700 0.055 0.000 0.788 205 R N 0.137 120.717 120.500 0.133 0.000 2.159 205 R HA -0.061 4.279 4.340 -0.001 0.000 0.237 205 R C 0.882 177.325 176.300 0.238 0.000 1.131 205 R CA 1.597 57.802 56.100 0.175 0.000 0.982 205 R CB -1.009 29.431 30.300 0.233 0.000 0.868 205 R HN 0.345 nan 8.270 nan 0.000 0.453 206 T N -3.772 110.905 114.554 0.206 0.000 2.919 206 T HA 0.840 5.190 4.350 -0.001 0.000 0.282 206 T C -0.550 174.225 174.700 0.124 0.000 1.020 206 T CA -0.475 61.719 62.100 0.156 0.000 0.994 206 T CB 1.952 70.890 68.868 0.116 0.000 1.180 206 T HN 0.143 nan 8.240 nan 0.000 0.566 207 A N -0.141 122.742 122.820 0.105 0.000 2.608 207 A HA 0.845 5.164 4.320 -0.001 0.000 0.292 207 A C -0.146 177.547 177.584 0.183 0.000 1.066 207 A CA -0.682 51.458 52.037 0.172 0.000 0.676 207 A CB 0.622 19.746 19.000 0.206 0.000 1.277 207 A HN 1.618 nan 8.150 nan 0.000 0.413 208 A N 0.558 123.507 122.820 0.214 0.000 2.448 208 A HA 0.444 4.764 4.320 -0.001 0.000 0.239 208 A C 1.138 178.848 177.584 0.210 0.000 1.080 208 A CA -0.121 52.032 52.037 0.194 0.000 0.779 208 A CB 0.041 19.154 19.000 0.189 0.000 1.026 208 A HN 0.790 nan 8.150 nan 0.000 0.499 209 R N 0.609 121.219 120.500 0.183 0.000 2.120 209 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 209 R C -0.142 176.250 176.300 0.152 0.000 1.123 209 R CA 1.601 57.793 56.100 0.154 0.000 0.975 209 R CB -0.339 30.098 30.300 0.228 0.000 0.866 209 R HN 0.885 nan 8.270 nan 0.000 0.446 210 D N -0.819 119.682 120.400 0.168 0.000 2.892 210 D HA 0.024 4.664 4.640 -0.001 0.000 0.291 210 D C -0.329 176.032 176.300 0.101 0.000 1.341 210 D CA -0.375 53.691 54.000 0.112 0.000 0.844 210 D CB 0.040 40.913 40.800 0.122 0.000 1.093 210 D HN -0.238 nan 8.370 nan 0.000 0.480 211 S N 0.209 115.994 115.700 0.140 0.000 2.573 211 S HA -0.094 4.375 4.470 -0.001 0.000 0.297 211 S C 1.028 175.699 174.600 0.118 0.000 1.280 211 S CA -0.073 58.253 58.200 0.211 0.000 1.061 211 S CB 0.535 64.030 63.200 0.490 0.000 0.812 211 S HN 0.114 nan 8.310 nan 0.000 0.500 212 D N 3.663 124.151 120.400 0.147 0.000 2.265 212 D HA -0.093 4.547 4.640 -0.001 0.000 0.208 212 D C 1.631 177.993 176.300 0.103 0.000 0.977 212 D CA 1.011 55.078 54.000 0.111 0.000 0.871 212 D CB -0.138 40.737 40.800 0.126 0.000 0.925 212 D HN 0.590 nan 8.370 nan 0.000 0.485 213 L N 0.309 121.634 121.223 0.171 0.000 2.456 213 L HA -0.067 4.273 4.340 -0.001 0.000 0.224 213 L C 2.229 179.158 176.870 0.098 0.000 1.148 213 L CA 0.169 55.117 54.840 0.181 0.000 0.825 213 L CB -0.195 42.079 42.059 0.358 0.000 0.937 213 L HN 0.042 nan 8.230 nan 0.000 0.450 214 I N -0.506 120.002 120.570 -0.103 0.000 2.315 214 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 214 I C 2.705 178.872 176.117 0.083 0.000 1.117 214 I CA 1.112 62.282 61.300 -0.217 0.000 1.404 214 I CB -0.242 37.580 38.000 -0.296 0.000 1.071 214 I HN 0.214 nan 8.210 nan 0.000 0.419 215 R N 0.462 121.021 120.500 0.098 0.000 2.083 215 R HA -0.160 4.180 4.340 -0.001 0.000 0.237 215 R C 2.016 178.383 176.300 0.112 0.000 1.137 215 R CA 1.252 57.426 56.100 0.124 0.000 0.951 215 R CB -0.136 30.151 30.300 -0.022 0.000 0.851 215 R HN 0.327 nan 8.270 nan 0.000 0.434 216 E N -0.621 119.542 120.200 -0.061 0.000 2.340 216 E HA 0.001 4.351 4.350 -0.001 0.000 0.194 216 E C 0.042 176.244 176.600 -0.663 0.000 0.996 216 E CA 0.800 57.013 56.400 -0.313 0.000 0.869 216 E CB 0.435 29.894 29.700 -0.401 0.000 0.835 216 E HN 0.477 nan 8.360 nan 0.000 0.493 217 H N -0.099 118.813 119.070 -0.263 0.000 2.511 217 H HA 0.141 4.697 4.556 -0.001 0.000 0.228 217 H C -1.822 173.417 175.328 -0.149 0.000 1.424 217 H CA -1.194 54.563 56.048 -0.486 0.000 1.321 217 H CB 0.901 29.800 29.762 -1.439 0.000 1.720 217 H HN -0.014 nan 8.280 nan 0.000 0.512 218 P HA -0.176 nan 4.420 nan 0.000 0.221 218 P C 0.640 178.065 177.300 0.208 0.000 1.145 218 P CA 1.213 64.271 63.100 -0.070 0.000 0.795 218 P CB 0.496 31.748 31.700 -0.746 0.000 0.775 219 D N -2.584 117.894 120.400 0.131 0.000 2.340 219 D HA -0.101 4.539 4.640 -0.001 0.000 0.220 219 D C 1.015 177.561 176.300 0.410 0.000 1.039 219 D CA 0.041 54.175 54.000 0.222 0.000 0.866 219 D CB -0.886 39.973 40.800 0.098 0.000 0.913 219 D HN 0.156 nan 8.370 nan 0.000 0.523 220 W N 0.322 121.786 121.300 0.274 0.000 3.256 220 W HA 0.293 4.952 4.660 -0.001 0.000 0.269 220 W C -0.132 176.282 176.519 -0.174 0.000 1.310 220 W CA -0.821 56.557 57.345 0.056 0.000 1.673 220 W CB -0.560 28.918 29.460 0.030 0.000 1.115 220 W HN -0.184 nan 8.180 nan 0.000 0.686 221 F N -1.497 118.533 119.950 0.134 0.000 2.594 221 F HA 0.454 4.981 4.527 -0.001 0.000 0.335 221 F C -0.144 175.454 175.800 -0.336 0.000 1.058 221 F CA -1.852 56.098 58.000 -0.082 0.000 0.981 221 F CB 0.342 39.237 39.000 -0.175 0.000 1.289 221 F HN -0.421 nan 8.300 nan 0.000 0.490 222 Y N -0.923 119.288 120.300 -0.147 0.000 2.453 222 Y HA 0.517 5.067 4.550 -0.000 0.000 0.326 222 Y C -1.078 174.525 175.900 -0.495 0.000 1.186 222 Y CA -0.960 57.092 58.100 -0.080 0.000 1.200 222 Y CB 1.391 39.898 38.460 0.078 0.000 1.247 222 Y HN 0.435 nan 8.280 nan 0.000 0.482 223 W N 3.142 124.688 121.300 0.409 0.000 3.138 223 W HA 0.720 5.380 4.660 -0.000 0.000 0.331 223 W C -1.202 175.434 176.519 0.196 0.000 1.166 223 W CA -0.805 56.675 57.345 0.224 0.000 1.212 223 W CB 1.439 30.960 29.460 0.102 0.000 1.399 223 W HN 0.313 nan 8.180 nan 0.000 0.514 224 I N -0.891 119.792 120.570 0.189 0.000 2.934 224 I HA 0.622 4.791 4.170 -0.001 0.000 0.306 224 I C -0.641 175.513 176.117 0.061 0.000 1.110 224 I CA -1.795 59.483 61.300 -0.038 0.000 1.019 224 I CB 1.939 39.718 38.000 -0.367 0.000 1.227 224 I HN 0.263 nan 8.210 nan 0.000 0.434 225 K N 2.599 123.023 120.400 0.039 0.000 2.412 225 K HA 0.184 4.503 4.320 -0.001 0.000 0.281 225 K C 0.830 177.466 176.600 0.059 0.000 1.027 225 K CA -0.499 55.831 56.287 0.071 0.000 0.989 225 K CB 1.619 34.154 32.500 0.059 0.000 0.935 225 K HN 0.484 nan 8.250 nan 0.000 0.475 226 V N 2.379 122.345 119.914 0.087 0.000 2.317 226 V HA -0.293 3.827 4.120 -0.001 0.000 0.251 226 V C 2.266 178.401 176.094 0.069 0.000 1.065 226 V CA 2.246 64.597 62.300 0.086 0.000 1.049 226 V CB -0.550 31.334 31.823 0.101 0.000 0.651 226 V HN 0.860 nan 8.190 nan 0.000 0.450 227 E N 0.206 120.444 120.200 0.062 0.000 2.273 227 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 227 E C 1.843 178.474 176.600 0.052 0.000 1.002 227 E CA 1.213 57.645 56.400 0.054 0.000 0.828 227 E CB -0.112 29.616 29.700 0.048 0.000 0.747 227 E HN 0.572 nan 8.360 nan 0.000 0.491 228 E N -0.645 119.585 120.200 0.050 0.000 2.476 228 E HA 0.014 4.363 4.350 -0.001 0.000 0.196 228 E C 1.482 178.135 176.600 0.089 0.000 1.029 228 E CA -0.122 56.314 56.400 0.061 0.000 0.896 228 E CB 0.126 29.851 29.700 0.040 0.000 1.012 228 E HN 0.253 nan 8.360 nan 0.000 0.475 229 L N 1.400 122.665 121.223 0.071 0.000 1.994 229 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 229 L C 2.184 179.122 176.870 0.113 0.000 1.071 229 L CA 2.170 57.055 54.840 0.075 0.000 0.745 229 L CB -0.798 41.309 42.059 0.081 0.000 0.892 229 L HN 0.070 nan 8.230 nan 0.000 0.431 230 A N -0.991 121.886 122.820 0.095 0.000 1.917 230 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 230 A C 1.613 179.246 177.584 0.082 0.000 1.182 230 A CA 2.171 54.259 52.037 0.085 0.000 0.633 230 A CB -0.743 18.296 19.000 0.065 0.000 0.819 230 A HN 0.624 nan 8.150 nan 0.000 0.448 231 D N -2.488 117.962 120.400 0.083 0.000 2.463 231 D HA 0.158 4.797 4.640 -0.001 0.000 0.224 231 D C -0.564 175.774 176.300 0.065 0.000 1.174 231 D CA -0.273 53.760 54.000 0.055 0.000 0.829 231 D CB -0.176 40.640 40.800 0.027 0.000 0.993 231 D HN 0.510 nan 8.370 nan 0.000 0.497 232 Y N 2.861 123.166 120.300 0.007 0.000 2.531 232 Y HA 0.247 4.797 4.550 -0.001 0.000 0.347 232 Y C 0.228 176.138 175.900 0.017 0.000 1.024 232 Y CA 0.007 58.125 58.100 0.029 0.000 1.306 232 Y CB 0.222 38.697 38.460 0.025 0.000 1.149 232 Y HN -0.136 nan 8.280 nan 0.000 0.527 233 T N 4.809 119.094 114.554 -0.448 0.000 2.853 233 T HA 0.441 4.791 4.350 -0.001 0.000 0.311 233 T C -3.239 171.018 174.700 -0.739 0.000 1.307 233 T CA -2.212 59.627 62.100 -0.434 0.000 1.019 233 T CB 1.797 70.513 68.868 -0.253 0.000 1.264 233 T HN 0.380 nan 8.240 nan 0.000 0.497 234 P HA 0.238 nan 4.420 nan 0.000 0.265 234 P C -2.433 174.487 177.300 -0.633 0.000 1.222 234 P CA -0.973 61.374 63.100 -1.255 0.000 0.767 234 P CB -0.569 30.297 31.700 -1.389 0.000 0.801 235 P HA 0.048 nan 4.420 nan 0.000 0.261 235 P C 0.124 177.322 177.300 -0.170 0.000 1.203 235 P CA 0.446 63.353 63.100 -0.322 0.000 0.767 235 P CB 0.609 32.120 31.700 -0.314 0.000 0.785 236 R N 2.530 122.925 120.500 -0.175 0.000 2.560 236 R HA 0.613 4.953 4.340 -0.001 0.000 0.270 236 R C 0.262 176.480 176.300 -0.136 0.000 1.074 236 R CA -0.548 55.457 56.100 -0.158 0.000 1.140 236 R CB 0.848 31.052 30.300 -0.160 0.000 1.073 236 R HN 0.475 nan 8.270 nan 0.000 0.527 237 A N 1.850 124.585 122.820 -0.140 0.000 3.156 237 A HA 0.162 4.482 4.320 -0.001 0.000 0.311 237 A C 0.306 177.826 177.584 -0.108 0.000 1.129 237 A CA -0.644 51.322 52.037 -0.119 0.000 0.809 237 A CB 0.507 19.431 19.000 -0.126 0.000 1.257 237 A HN 0.764 nan 8.150 nan 0.000 0.491 238 E N 1.410 121.552 120.200 -0.098 0.000 2.219 238 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 238 E C 1.662 178.222 176.600 -0.066 0.000 0.998 238 E CA 1.605 57.955 56.400 -0.085 0.000 0.818 238 E CB 0.082 29.735 29.700 -0.078 0.000 0.741 238 E HN 0.935 nan 8.360 nan 0.000 0.477 239 E N 1.130 121.292 120.200 -0.063 0.000 2.274 239 E HA -0.105 4.244 4.350 -0.001 0.000 0.194 239 E C 0.960 177.531 176.600 -0.049 0.000 0.996 239 E CA 0.292 56.661 56.400 -0.051 0.000 0.840 239 E CB -0.233 29.438 29.700 -0.049 0.000 0.772 239 E HN 0.233 nan 8.360 nan 0.000 0.491 240 L N 1.564 122.751 121.223 -0.061 0.000 2.399 240 L HA 0.396 4.736 4.340 -0.001 0.000 0.265 240 L C -2.129 174.715 176.870 -0.042 0.000 1.089 240 L CA -2.451 52.354 54.840 -0.058 0.000 0.802 240 L CB 0.689 42.698 42.059 -0.084 0.000 1.180 240 L HN -0.168 nan 8.230 nan 0.000 0.454 241 P HA -0.036 nan 4.420 nan 0.000 0.272 241 P C -0.795 176.534 177.300 0.049 0.000 1.240 241 P CA -0.274 62.829 63.100 0.004 0.000 0.791 241 P CB 0.322 32.011 31.700 -0.017 0.000 0.978 242 F N 3.449 123.342 119.950 -0.095 0.000 2.423 242 F HA 0.386 4.913 4.527 -0.001 0.000 0.356 242 F C 0.293 176.037 175.800 -0.094 0.000 1.170 242 F CA -0.582 57.355 58.000 -0.105 0.000 1.163 242 F CB -1.053 37.899 39.000 -0.079 0.000 1.318 242 F HN 0.285 nan 8.300 nan 0.000 0.569 243 K N 2.623 122.985 120.400 -0.063 0.000 2.755 243 K HA 0.487 4.807 4.320 -0.001 0.000 0.294 243 K C -2.141 174.388 176.600 -0.118 0.000 1.060 243 K CA -1.126 55.037 56.287 -0.206 0.000 0.845 243 K CB 0.673 33.071 32.500 -0.171 0.000 1.539 243 K HN -0.011 nan 8.250 nan 0.000 0.379 244 V N 2.977 122.844 119.914 -0.078 0.000 2.508 244 V HA 0.252 4.372 4.120 -0.001 0.000 0.281 244 V C -1.834 174.273 176.094 0.021 0.000 1.041 244 V CA -1.105 61.197 62.300 0.004 0.000 1.016 244 V CB 0.412 32.279 31.823 0.073 0.000 0.984 244 V HN 0.671 nan 8.190 nan 0.000 0.478 245 P HA 0.152 nan 4.420 nan 0.000 0.269 245 P C -0.882 176.521 177.300 0.172 0.000 1.209 245 P CA -0.243 62.865 63.100 0.014 0.000 0.776 245 P CB 0.844 32.501 31.700 -0.071 0.000 0.876 246 D N 0.204 120.697 120.400 0.154 0.000 2.539 246 D HA 0.115 4.755 4.640 -0.001 0.000 0.276 246 D C 1.203 177.667 176.300 0.274 0.000 1.206 246 D CA -0.411 53.744 54.000 0.258 0.000 1.081 246 D CB -0.011 40.872 40.800 0.138 0.000 1.142 246 D HN 0.217 nan 8.370 nan 0.000 0.595 247 E N -0.437 119.946 120.200 0.304 0.000 2.038 247 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 247 E C 1.242 177.955 176.600 0.188 0.000 1.000 247 E CA 1.746 58.317 56.400 0.285 0.000 0.803 247 E CB -0.353 29.491 29.700 0.239 0.000 0.750 247 E HN 0.445 nan 8.360 nan 0.000 0.448 248 D N 0.167 120.647 120.400 0.134 0.000 2.117 248 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 248 D C 1.820 178.156 176.300 0.061 0.000 0.987 248 D CA 1.175 55.232 54.000 0.095 0.000 0.829 248 D CB -0.231 40.608 40.800 0.064 0.000 0.961 248 D HN 0.359 nan 8.370 nan 0.000 0.460 249 E N 0.324 120.551 120.200 0.045 0.000 2.153 249 E HA -0.102 4.248 4.350 -0.001 0.000 0.194 249 E C 2.349 178.938 176.600 -0.019 0.000 0.988 249 E CA 0.269 56.668 56.400 -0.002 0.000 0.811 249 E CB -0.025 29.666 29.700 -0.015 0.000 0.746 249 E HN 0.258 nan 8.360 nan 0.000 0.466 250 L N 0.506 121.751 121.223 0.036 0.000 2.046 250 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 250 L C 2.579 179.452 176.870 0.007 0.000 1.077 250 L CA 1.330 56.225 54.840 0.091 0.000 0.747 250 L CB -0.411 41.786 42.059 0.231 0.000 0.896 250 L HN 0.203 nan 8.230 nan 0.000 0.432 251 E N 0.782 120.925 120.200 -0.094 0.000 2.085 251 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 251 E C 2.277 178.661 176.600 -0.360 0.000 0.994 251 E CA 1.347 57.446 56.400 -0.502 0.000 0.801 251 E CB -0.013 29.615 29.700 -0.120 0.000 0.743 251 E HN 0.452 nan 8.360 nan 0.000 0.453 252 I N 0.656 121.122 120.570 -0.172 0.000 2.142 252 I HA -0.291 3.879 4.170 -0.001 0.000 0.240 252 I C 2.450 178.473 176.117 -0.157 0.000 1.078 252 I CA 0.977 62.194 61.300 -0.138 0.000 1.343 252 I CB -0.298 37.647 38.000 -0.090 0.000 1.046 252 I HN 0.195 nan 8.210 nan 0.000 0.405 253 I N -0.053 120.418 120.570 -0.164 0.000 2.118 253 I HA -0.370 3.800 4.170 -0.001 0.000 0.241 253 I C 2.377 178.331 176.117 -0.273 0.000 1.070 253 I CA 1.969 63.140 61.300 -0.214 0.000 1.327 253 I CB -0.535 37.317 38.000 -0.245 0.000 1.034 253 I HN 0.183 nan 8.210 nan 0.000 0.405 254 Y N 0.555 120.710 120.300 -0.241 0.000 2.569 254 Y HA -0.145 4.405 4.550 -0.000 0.000 0.293 254 Y C 2.041 177.810 175.900 -0.218 0.000 1.144 254 Y CA 0.847 58.800 58.100 -0.245 0.000 1.321 254 Y CB -0.294 37.948 38.460 -0.364 0.000 0.982 254 Y HN 0.267 nan 8.280 nan 0.000 0.558 255 N N -0.266 118.367 118.700 -0.112 0.000 2.280 255 N HA -0.011 4.729 4.740 -0.001 0.000 0.192 255 N C -0.172 175.295 175.510 -0.071 0.000 1.109 255 N CA 0.301 53.299 53.050 -0.086 0.000 0.855 255 N CB 0.289 38.712 38.487 -0.107 0.000 0.974 255 N HN 0.095 nan 8.380 nan 0.000 0.482 256 K N 1.173 121.521 120.400 -0.087 0.000 2.270 256 K HA 0.065 4.385 4.320 -0.001 0.000 0.276 256 K C 0.995 177.560 176.600 -0.058 0.000 1.023 256 K CA -0.109 56.132 56.287 -0.077 0.000 0.955 256 K CB 1.479 33.922 32.500 -0.096 0.000 0.975 256 K HN -0.085 nan 8.250 nan 0.000 0.471 257 E N 1.856 122.029 120.200 -0.046 0.000 2.150 257 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 257 E C 1.367 177.949 176.600 -0.030 0.000 0.985 257 E CA 1.324 57.705 56.400 -0.031 0.000 0.814 257 E CB 0.041 29.725 29.700 -0.027 0.000 0.752 257 E HN 0.624 nan 8.360 nan 0.000 0.466 258 N N -0.291 118.381 118.700 -0.046 0.000 2.270 258 N HA -0.108 4.632 4.740 -0.001 0.000 0.181 258 N C 1.697 177.185 175.510 -0.037 0.000 1.016 258 N CA 1.277 54.298 53.050 -0.048 0.000 0.870 258 N CB -0.565 37.877 38.487 -0.075 0.000 0.979 258 N HN 0.097 nan 8.380 nan 0.000 0.431 259 V N 1.230 121.108 119.914 -0.059 0.000 2.427 259 V HA -0.129 3.991 4.120 -0.001 0.000 0.248 259 V C 2.444 178.546 176.094 0.013 0.000 1.051 259 V CA 1.541 63.809 62.300 -0.054 0.000 1.048 259 V CB -0.555 31.174 31.823 -0.156 0.000 0.666 259 V HN 0.292 nan 8.190 nan 0.000 0.456 260 K N -0.185 120.212 120.400 -0.004 0.000 2.097 260 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 260 K C 2.392 179.012 176.600 0.034 0.000 1.049 260 K CA 1.268 57.563 56.287 0.013 0.000 0.933 260 K CB -0.210 32.294 32.500 0.007 0.000 0.717 260 K HN 0.381 nan 8.250 nan 0.000 0.442 261 R N -0.359 120.163 120.500 0.037 0.000 2.092 261 R HA -0.133 4.207 4.340 -0.001 0.000 0.231 261 R C 2.267 178.615 176.300 0.080 0.000 1.119 261 R CA 1.347 57.474 56.100 0.045 0.000 0.970 261 R CB -0.347 29.970 30.300 0.028 0.000 0.864 261 R HN 0.321 nan 8.270 nan 0.000 0.440 262 H N 1.359 120.429 119.070 -0.000 0.000 2.267 262 H HA -0.084 4.472 4.556 -0.000 0.000 0.297 262 H C 1.912 177.359 175.328 0.197 0.000 1.080 262 H CA 1.830 57.903 56.048 0.041 0.000 1.278 262 H CB -0.416 29.338 29.762 -0.014 0.000 1.365 262 H HN 0.031 nan 8.280 nan 0.000 0.489 263 L N -0.172 121.088 121.223 0.061 0.000 2.129 263 L HA -0.192 4.148 4.340 -0.001 0.000 0.212 263 L C 2.264 179.238 176.870 0.174 0.000 1.087 263 L CA 1.729 56.591 54.840 0.037 0.000 0.757 263 L CB -0.414 41.568 42.059 -0.128 0.000 0.896 263 L HN 0.228 nan 8.230 nan 0.000 0.434 264 K N 0.562 121.024 120.400 0.103 0.000 2.486 264 K HA -0.057 4.263 4.320 -0.001 0.000 0.194 264 K C 1.670 178.323 176.600 0.087 0.000 1.033 264 K CA 0.789 57.136 56.287 0.101 0.000 1.004 264 K CB 0.100 32.638 32.500 0.063 0.000 0.798 264 K HN 0.189 nan 8.250 nan 0.000 0.495 265 K N -0.667 119.744 120.400 0.018 0.000 2.365 265 K HA 0.051 4.370 4.320 -0.001 0.000 0.197 265 K C -0.175 176.322 176.600 -0.172 0.000 1.042 265 K CA 0.152 56.371 56.287 -0.115 0.000 0.987 265 K CB 0.084 32.452 32.500 -0.219 0.000 0.779 265 K HN -0.012 nan 8.250 nan 0.000 0.484 266 F N 1.281 121.296 119.950 0.108 0.000 2.380 266 F HA 0.101 4.627 4.527 -0.001 0.000 0.325 266 F C 1.282 177.190 175.800 0.180 0.000 1.136 266 F CA -0.329 57.775 58.000 0.173 0.000 1.171 266 F CB 0.901 40.037 39.000 0.227 0.000 1.230 266 F HN -0.097 nan 8.300 nan 0.000 0.554 267 T N -0.727 114.080 114.554 0.422 0.000 2.838 267 T HA 0.683 5.032 4.350 -0.001 0.000 0.292 267 T C -0.650 174.218 174.700 0.281 0.000 1.113 267 T CA -1.076 61.197 62.100 0.287 0.000 1.008 267 T CB 0.901 69.895 68.868 0.209 0.000 1.259 267 T HN 0.448 nan 8.240 nan 0.000 0.520 268 L N 1.172 122.488 121.223 0.154 0.000 2.456 268 L HA 0.448 4.788 4.340 -0.001 0.000 0.257 268 L C -2.122 174.706 176.870 -0.069 0.000 1.162 268 L CA -2.379 52.510 54.840 0.081 0.000 0.808 268 L CB 0.347 42.425 42.059 0.032 0.000 1.136 268 L HN 0.506 nan 8.230 nan 0.000 0.466 269 P HA 0.020 nan 4.420 nan 0.000 0.269 269 P C -2.020 174.821 177.300 -0.765 0.000 1.217 269 P CA -0.998 61.754 63.100 -0.580 0.000 0.783 269 P CB -0.028 31.474 31.700 -0.331 0.000 0.898 270 P HA -0.198 nan 4.420 nan 0.000 0.220 270 P C 0.769 177.589 177.300 -0.800 0.000 1.148 270 P CA 1.738 64.017 63.100 -1.368 0.000 0.803 270 P CB -0.384 29.984 31.700 -2.220 0.000 0.782 271 N N 0.141 118.252 118.700 -0.981 0.000 2.309 271 N HA -0.097 4.643 4.740 -0.001 0.000 0.182 271 N C 1.820 177.208 175.510 -0.202 0.000 1.018 271 N CA 0.831 53.511 53.050 -0.616 0.000 0.876 271 N CB -1.147 36.905 38.487 -0.726 0.000 0.972 271 N HN 0.153 nan 8.380 nan 0.000 0.434 272 L N -0.335 120.765 121.223 -0.204 0.000 2.529 272 L HA 0.252 4.591 4.340 -0.001 0.000 0.223 272 L C 1.785 178.646 176.870 -0.015 0.000 1.113 272 L CA 0.155 54.947 54.840 -0.079 0.000 0.861 272 L CB -0.040 41.974 42.059 -0.075 0.000 1.012 272 L HN 0.235 nan 8.230 nan 0.000 0.461 273 I N -0.716 119.861 120.570 0.011 0.000 2.400 273 I HA -0.054 4.116 4.170 -0.001 0.000 0.248 273 I C 0.460 176.655 176.117 0.131 0.000 1.109 273 I CA 1.036 62.396 61.300 0.100 0.000 1.425 273 I CB 0.422 38.536 38.000 0.190 0.000 1.094 273 I HN 0.110 nan 8.210 nan 0.000 0.425 274 D N -0.586 119.947 120.400 0.221 0.000 2.527 274 D HA 0.161 4.801 4.640 -0.001 0.000 0.242 274 D C -2.041 174.385 176.300 0.211 0.000 1.285 274 D CA -1.545 52.535 54.000 0.134 0.000 0.886 274 D CB 1.144 41.919 40.800 -0.041 0.000 1.402 274 D HN -0.180 nan 8.370 nan 0.000 0.528 275 P HA -0.215 nan 4.420 nan 0.000 0.218 275 P C 1.359 178.765 177.300 0.176 0.000 1.154 275 P CA 1.397 64.599 63.100 0.170 0.000 0.872 275 P CB 0.403 32.160 31.700 0.094 0.000 0.790 276 Q N -0.370 119.493 119.800 0.104 0.000 2.083 276 Q HA -0.188 4.151 4.340 -0.001 0.000 0.198 276 Q C 2.279 178.320 176.000 0.069 0.000 0.969 276 Q CA 1.435 57.275 55.803 0.061 0.000 0.838 276 Q CB -0.258 28.492 28.738 0.020 0.000 0.900 276 Q HN 0.083 nan 8.270 nan 0.000 0.436 277 K N 0.126 120.573 120.400 0.077 0.000 2.026 277 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 277 K C 1.907 178.662 176.600 0.257 0.000 1.048 277 K CA 1.414 57.732 56.287 0.051 0.000 0.929 277 K CB -0.513 31.863 32.500 -0.207 0.000 0.713 277 K HN 0.475 nan 8.250 nan 0.000 0.439 278 W N 2.028 123.482 121.300 0.257 0.000 2.301 278 W HA -0.298 4.361 4.660 -0.001 0.000 0.325 278 W C 1.608 178.162 176.519 0.060 0.000 1.250 278 W CA 1.505 58.968 57.345 0.197 0.000 1.261 278 W CB -0.099 29.407 29.460 0.078 0.000 1.157 278 W HN 0.167 nan 8.180 nan 0.000 0.473 279 E N 0.515 120.649 120.200 -0.109 0.000 2.130 279 E HA -0.262 4.088 4.350 -0.001 0.000 0.196 279 E C 1.903 178.361 176.600 -0.238 0.000 0.998 279 E CA 1.328 57.580 56.400 -0.248 0.000 0.806 279 E CB -0.640 29.012 29.700 -0.080 0.000 0.738 279 E HN 0.234 nan 8.360 nan 0.000 0.459 280 K N 1.162 121.485 120.400 -0.129 0.000 1.969 280 K HA -0.137 4.182 4.320 -0.001 0.000 0.216 280 K C 2.418 178.925 176.600 -0.154 0.000 1.048 280 K CA 1.494 57.716 56.287 -0.107 0.000 0.948 280 K CB -0.685 31.784 32.500 -0.052 0.000 0.726 280 K HN 0.306 nan 8.250 nan 0.000 0.442 281 I N -0.809 119.680 120.570 -0.135 0.000 2.286 281 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 281 I C 2.397 178.309 176.117 -0.342 0.000 1.115 281 I CA 1.591 62.802 61.300 -0.148 0.000 1.392 281 I CB -0.486 37.523 38.000 0.015 0.000 1.065 281 I HN 0.093 nan 8.210 nan 0.000 0.418 282 K N 1.761 121.731 120.400 -0.717 0.000 2.228 282 K HA -0.195 4.125 4.320 -0.001 0.000 0.205 282 K C 2.015 178.339 176.600 -0.459 0.000 1.045 282 K CA 1.584 57.309 56.287 -0.938 0.000 0.931 282 K CB -0.149 31.467 32.500 -1.472 0.000 0.727 282 K HN 0.408 nan 8.250 nan 0.000 0.458 283 R N 0.874 121.179 120.500 -0.326 0.000 2.696 283 R HA 0.130 4.469 4.340 -0.001 0.000 0.355 283 R C -0.864 175.353 176.300 -0.139 0.000 1.138 283 R CA -0.171 55.809 56.100 -0.200 0.000 1.059 283 R CB 0.416 30.616 30.300 -0.167 0.000 1.380 283 R HN 0.195 nan 8.270 nan 0.000 0.578 284 E N 0.768 120.886 120.200 -0.137 0.000 2.222 284 E HA 0.080 4.429 4.350 -0.001 0.000 0.267 284 E C -0.846 175.718 176.600 -0.061 0.000 0.963 284 E CA -0.866 55.483 56.400 -0.084 0.000 0.837 284 E CB 1.509 31.167 29.700 -0.069 0.000 1.183 284 E HN 0.224 nan 8.360 nan 0.000 0.403 285 E N 0.390 120.566 120.200 -0.040 0.000 2.343 285 E HA 0.569 4.918 4.350 -0.001 0.000 0.269 285 E C 0.230 176.821 176.600 -0.014 0.000 1.047 285 E CA -0.474 55.911 56.400 -0.025 0.000 0.874 285 E CB 1.161 30.850 29.700 -0.019 0.000 1.033 285 E HN 0.689 nan 8.360 nan 0.000 0.409 286 G N 1.562 110.358 108.800 -0.006 0.000 2.440 286 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.684 286 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.684 286 G C -1.058 173.849 174.900 0.012 0.000 1.309 286 G CA -0.643 44.460 45.100 0.005 0.000 0.931 286 G HN 0.823 nan 8.290 nan 0.000 0.612 287 N N -0.112 118.601 118.700 0.021 0.000 2.411 287 N HA 0.036 4.775 4.740 -0.001 0.000 0.261 287 N C 1.647 177.185 175.510 0.046 0.000 1.248 287 N CA 0.104 53.175 53.050 0.034 0.000 0.885 287 N CB 0.735 39.242 38.487 0.033 0.000 1.062 287 N HN 0.678 nan 8.380 nan 0.000 0.471 288 I N 5.030 125.632 120.570 0.052 0.000 2.264 288 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 288 I C 1.970 178.159 176.117 0.119 0.000 1.111 288 I CA 1.084 62.428 61.300 0.072 0.000 1.382 288 I CB -0.246 37.798 38.000 0.073 0.000 1.060 288 I HN 0.679 nan 8.210 nan 0.000 0.418 289 L N 0.336 121.633 121.223 0.124 0.000 2.109 289 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 289 L C 2.322 179.283 176.870 0.151 0.000 1.086 289 L CA 1.652 56.594 54.840 0.170 0.000 0.760 289 L CB -0.727 41.434 42.059 0.169 0.000 0.910 289 L HN 0.286 nan 8.230 nan 0.000 0.437 290 E N -0.629 119.632 120.200 0.102 0.000 2.110 290 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 290 E C 2.213 178.871 176.600 0.096 0.000 0.988 290 E CA 1.395 57.843 56.400 0.081 0.000 0.804 290 E CB -0.201 29.526 29.700 0.045 0.000 0.745 290 E HN 0.500 nan 8.360 nan 0.000 0.458 291 L N 0.563 121.846 121.223 0.099 0.000 2.056 291 L HA -0.163 4.177 4.340 -0.001 0.000 0.207 291 L C 2.422 179.398 176.870 0.176 0.000 1.078 291 L CA 0.918 55.824 54.840 0.110 0.000 0.749 291 L CB -0.312 41.796 42.059 0.081 0.000 0.901 291 L HN 0.148 nan 8.230 nan 0.000 0.433 292 I N -0.972 119.712 120.570 0.190 0.000 2.315 292 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 292 I C 2.462 178.716 176.117 0.227 0.000 1.117 292 I CA 0.910 62.329 61.300 0.198 0.000 1.404 292 I CB -0.235 37.810 38.000 0.074 0.000 1.071 292 I HN 0.028 nan 8.210 nan 0.000 0.419 293 V N 1.186 121.219 119.914 0.199 0.000 2.295 293 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 293 V C 2.566 178.754 176.094 0.157 0.000 1.049 293 V CA 2.033 64.442 62.300 0.182 0.000 1.024 293 V CB -0.630 31.287 31.823 0.156 0.000 0.648 293 V HN 0.431 nan 8.190 nan 0.000 0.447 294 K N -0.347 120.134 120.400 0.135 0.000 2.025 294 K HA -0.182 4.137 4.320 -0.001 0.000 0.207 294 K C 2.133 178.793 176.600 0.101 0.000 1.049 294 K CA 1.507 57.854 56.287 0.100 0.000 0.933 294 K CB -0.067 32.478 32.500 0.075 0.000 0.714 294 K HN 0.357 nan 8.250 nan 0.000 0.438 295 E N -0.387 119.901 120.200 0.147 0.000 2.112 295 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 295 E C 1.605 178.235 176.600 0.049 0.000 0.979 295 E CA 1.048 57.509 56.400 0.101 0.000 0.814 295 E CB 0.031 29.833 29.700 0.169 0.000 0.762 295 E HN 0.341 nan 8.360 nan 0.000 0.460 296 F N -0.713 119.251 119.950 0.024 0.000 2.724 296 F HA 0.308 4.835 4.527 -0.001 0.000 0.306 296 F C 1.401 177.212 175.800 0.018 0.000 1.100 296 F CA 0.404 58.405 58.000 0.002 0.000 1.255 296 F CB 0.611 39.580 39.000 -0.052 0.000 1.072 296 F HN 0.048 nan 8.300 nan 0.000 0.589 297 G N 2.370 111.300 108.800 0.218 0.000 2.249 297 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.273 297 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.273 297 G C 0.128 175.128 174.900 0.167 0.000 1.036 297 G CA 0.708 45.901 45.100 0.156 0.000 0.824 297 G HN 0.524 nan 8.290 nan 0.000 0.504 298 I N -3.071 117.620 120.570 0.202 0.000 3.042 298 I HA 0.948 5.118 4.170 -0.001 0.000 0.310 298 I C -0.317 175.999 176.117 0.332 0.000 1.117 298 I CA -1.911 59.528 61.300 0.232 0.000 1.003 298 I CB 2.564 40.688 38.000 0.206 0.000 1.228 298 I HN 0.092 nan 8.210 nan 0.000 0.443 299 I N 1.524 122.332 120.570 0.397 0.000 3.004 299 I HA 0.406 4.576 4.170 -0.001 0.000 0.305 299 I C -0.401 175.776 176.117 0.100 0.000 1.312 299 I CA -0.361 61.142 61.300 0.339 0.000 0.992 299 I CB 2.777 40.894 38.000 0.194 0.000 1.282 299 I HN 0.950 nan 8.210 nan 0.000 0.449 300 T N 3.153 117.570 114.554 -0.229 0.000 2.918 300 T HA 0.454 4.804 4.350 -0.001 0.000 0.302 300 T C -2.554 171.971 174.700 -0.290 0.000 1.045 300 T CA -1.088 60.728 62.100 -0.473 0.000 1.114 300 T CB 0.724 69.345 68.868 -0.411 0.000 0.965 300 T HN 0.356 nan 8.240 nan 0.000 0.540 301 P HA 0.386 nan 4.420 nan 0.000 0.278 301 P C -2.768 174.303 177.300 -0.382 0.000 1.258 301 P CA -2.260 60.534 63.100 -0.509 0.000 0.811 301 P CB 0.254 31.555 31.700 -0.664 0.000 1.063 302 P HA 0.144 nan 4.420 nan 0.000 0.277 302 P C 0.376 177.579 177.300 -0.161 0.000 1.240 302 P CA 0.167 63.132 63.100 -0.226 0.000 0.798 302 P CB 0.570 32.185 31.700 -0.141 0.000 0.979 303 G N 1.256 109.904 108.800 -0.253 0.000 2.616 303 G HA2 0.572 4.532 3.960 -0.001 0.000 0.268 303 G HA3 0.572 4.532 3.960 -0.001 0.000 0.268 303 G C -0.915 173.649 174.900 -0.559 0.000 1.213 303 G CA -0.389 44.367 45.100 -0.573 0.000 0.926 303 G HN 0.574 nan 8.290 nan 0.000 0.523 304 F N -2.295 117.166 119.950 -0.814 0.000 2.744 304 F HA 0.644 5.171 4.527 -0.001 0.000 0.311 304 F C -0.261 174.950 175.800 -0.982 0.000 1.144 304 F CA -1.729 55.569 58.000 -1.170 0.000 0.938 304 F CB 0.848 39.567 39.000 -0.468 0.000 1.292 304 F HN 0.616 nan 8.300 nan 0.000 0.444 305 S N 0.801 116.292 115.700 -0.348 0.000 2.558 305 S HA 0.080 4.549 4.470 -0.001 0.000 0.287 305 S C 0.858 175.694 174.600 0.393 0.000 1.321 305 S CA 0.465 58.778 58.200 0.188 0.000 1.048 305 S CB 0.157 63.548 63.200 0.317 0.000 0.844 305 S HN 0.866 nan 8.310 nan 0.000 0.512 306 D N 2.989 123.609 120.400 0.368 0.000 2.340 306 D HA 0.049 4.688 4.640 -0.001 0.000 0.220 306 D C -0.070 176.429 176.300 0.332 0.000 1.039 306 D CA 0.041 54.272 54.000 0.384 0.000 0.866 306 D CB -0.290 40.655 40.800 0.242 0.000 0.913 306 D HN 0.289 nan 8.370 nan 0.000 0.523 307 L N 1.332 122.697 121.223 0.236 0.000 2.275 307 L HA 0.339 4.679 4.340 -0.001 0.000 0.288 307 L C 0.393 177.210 176.870 -0.088 0.000 1.046 307 L CA -0.724 54.161 54.840 0.074 0.000 0.805 307 L CB 1.638 43.779 42.059 0.137 0.000 1.193 307 L HN -0.006 nan 8.230 nan 0.000 0.426 308 I N 4.411 124.698 120.570 -0.470 0.000 2.696 308 I HA 0.026 4.196 4.170 -0.001 0.000 0.284 308 I C 0.409 176.405 176.117 -0.202 0.000 1.129 308 I CA 0.346 61.206 61.300 -0.732 0.000 1.410 308 I CB 0.213 37.693 38.000 -0.867 0.000 1.399 308 I HN 0.797 nan 8.210 nan 0.000 0.579 309 N N 3.279 121.836 118.700 -0.237 0.000 2.782 309 N HA -0.212 4.527 4.740 -0.001 0.000 0.251 309 N C -0.509 174.749 175.510 -0.419 0.000 1.101 309 N CA 0.846 53.757 53.050 -0.232 0.000 0.764 309 N CB -1.426 36.962 38.487 -0.165 0.000 1.122 309 N HN 0.671 nan 8.380 nan 0.000 0.561 310 D N 1.585 121.810 120.400 -0.290 0.000 2.371 310 D HA 0.108 4.747 4.640 -0.001 0.000 0.256 310 D C -0.746 175.346 176.300 -0.346 0.000 1.193 310 D CA -1.210 52.550 54.000 -0.399 0.000 0.881 310 D CB 1.012 41.889 40.800 0.129 0.000 1.143 310 D HN 0.145 nan 8.370 nan 0.000 0.473 311 P HA -0.091 nan 4.420 nan 0.000 0.233 311 P C 0.387 177.623 177.300 -0.107 0.000 1.167 311 P CA 0.421 63.376 63.100 -0.242 0.000 0.770 311 P CB 0.138 31.689 31.700 -0.250 0.000 0.837 312 Q N 1.984 121.765 119.800 -0.032 0.000 2.421 312 Q HA 0.311 4.651 4.340 -0.001 0.000 0.255 312 Q C -2.036 173.995 176.000 0.052 0.000 1.013 312 Q CA -1.654 54.186 55.803 0.063 0.000 0.895 312 Q CB -0.487 28.363 28.738 0.187 0.000 1.271 312 Q HN 0.111 nan 8.270 nan 0.000 0.460 313 P HA 0.015 nan 4.420 nan 0.000 0.274 313 P C -0.388 176.972 177.300 0.100 0.000 1.246 313 P CA -0.314 62.823 63.100 0.063 0.000 0.795 313 P CB 0.593 32.332 31.700 0.066 0.000 1.006 314 T N -2.244 112.341 114.554 0.052 0.000 2.856 314 T HA 0.109 4.459 4.350 -0.001 0.000 0.306 314 T C -0.158 174.655 174.700 0.189 0.000 1.062 314 T CA -0.543 61.574 62.100 0.027 0.000 1.083 314 T CB 0.115 69.042 68.868 0.097 0.000 0.984 314 T HN 0.304 nan 8.240 nan 0.000 0.542 315 W N 2.159 123.500 121.300 0.069 0.000 2.226 315 W HA 0.310 4.969 4.660 -0.001 0.000 0.379 315 W C -0.164 176.313 176.519 -0.071 0.000 0.923 315 W CA -1.458 55.888 57.345 0.002 0.000 1.524 315 W CB -0.849 28.598 29.460 -0.022 0.000 1.552 315 W HN 0.758 nan 8.180 nan 0.000 0.337 316 D N 0.741 121.204 120.400 0.106 0.000 2.310 316 D HA -0.158 4.482 4.640 -0.001 0.000 0.212 316 D C 1.449 177.646 176.300 -0.172 0.000 0.965 316 D CA 1.399 55.325 54.000 -0.123 0.000 0.879 316 D CB -0.041 40.707 40.800 -0.086 0.000 0.921 316 D HN 0.345 nan 8.370 nan 0.000 0.510 317 D N 0.016 120.454 120.400 0.064 0.000 2.339 317 D HA -0.025 4.615 4.640 -0.001 0.000 0.217 317 D C 0.742 177.110 176.300 0.113 0.000 1.050 317 D CA -0.076 54.013 54.000 0.148 0.000 0.856 317 D CB -0.107 40.820 40.800 0.212 0.000 0.922 317 D HN 0.146 nan 8.370 nan 0.000 0.518 318 V N -4.336 115.607 119.914 0.049 0.000 3.160 318 V HA 0.856 4.976 4.120 -0.001 0.000 0.310 318 V C -0.569 175.468 176.094 -0.095 0.000 1.181 318 V CA -0.670 61.645 62.300 0.025 0.000 1.047 318 V CB 1.759 33.607 31.823 0.042 0.000 1.068 318 V HN 0.010 nan 8.190 nan 0.000 0.441 319 T N 0.188 114.665 114.554 -0.127 0.000 2.816 319 T HA 0.740 5.089 4.350 -0.001 0.000 0.299 319 T C -1.568 172.985 174.700 -0.245 0.000 1.230 319 T CA -0.407 61.559 62.100 -0.223 0.000 1.007 319 T CB 1.514 70.349 68.868 -0.056 0.000 1.289 319 T HN 0.581 nan 8.240 nan 0.000 0.508 320 F N 1.437 121.393 119.950 0.011 0.000 2.399 320 F HA 0.605 5.131 4.527 -0.001 0.000 0.328 320 F C 0.409 176.221 175.800 0.020 0.000 1.084 320 F CA -0.994 57.014 58.000 0.013 0.000 1.053 320 F CB 1.040 39.997 39.000 -0.072 0.000 1.209 320 F HN 0.243 nan 8.300 nan 0.000 0.502 321 L N 2.143 123.474 121.223 0.180 0.000 2.375 321 L HA 0.397 4.737 4.340 -0.001 0.000 0.271 321 L C 0.434 177.378 176.870 0.123 0.000 1.107 321 L CA -0.722 54.083 54.840 -0.058 0.000 0.806 321 L CB 1.136 43.119 42.059 -0.127 0.000 1.146 321 L HN 0.550 nan 8.230 nan 0.000 0.447 322 R N 2.671 123.147 120.500 -0.039 0.000 2.429 322 R HA 0.160 4.500 4.340 -0.001 0.000 0.302 322 R C 0.762 177.047 176.300 -0.026 0.000 1.268 322 R CA -0.157 55.916 56.100 -0.046 0.000 1.090 322 R CB 0.110 30.203 30.300 -0.347 0.000 1.102 322 R HN 0.715 nan 8.270 nan 0.000 0.522 323 L N 3.364 124.654 121.223 0.111 0.000 2.201 323 L HA -0.046 4.293 4.340 -0.001 0.000 0.212 323 L C -0.023 176.850 176.870 0.005 0.000 1.105 323 L CA 0.932 55.849 54.840 0.128 0.000 0.775 323 L CB -0.086 42.083 42.059 0.184 0.000 0.913 323 L HN 0.541 nan 8.230 nan 0.000 0.440 324 Y N -1.773 118.568 120.300 0.069 0.000 2.499 324 Y HA 0.272 4.822 4.550 -0.001 0.000 0.347 324 Y C 0.786 176.634 175.900 -0.087 0.000 0.987 324 Y CA -0.774 57.315 58.100 -0.018 0.000 1.044 324 Y CB 1.564 40.034 38.460 0.016 0.000 1.245 324 Y HN -0.227 nan 8.280 nan 0.000 0.461 325 L N 0.946 122.182 121.223 0.021 0.000 2.156 325 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 325 L C 0.329 177.153 176.870 -0.076 0.000 1.095 325 L CA 0.819 55.633 54.840 -0.043 0.000 0.770 325 L CB -0.309 41.713 42.059 -0.061 0.000 0.914 325 L HN 0.677 nan 8.230 nan 0.000 0.439 326 D N -1.921 118.456 120.400 -0.039 0.000 2.385 326 D HA 0.171 4.810 4.640 -0.001 0.000 0.254 326 D C -0.227 175.993 176.300 -0.133 0.000 1.053 326 D CA -0.565 53.354 54.000 -0.135 0.000 0.992 326 D CB 0.429 41.193 40.800 -0.060 0.000 1.145 326 D HN 0.050 nan 8.370 nan 0.000 0.523 327 H N -1.031 118.028 119.070 -0.018 0.000 2.603 327 H HA 0.273 4.829 4.556 -0.001 0.000 0.370 327 H C -1.673 173.607 175.328 -0.079 0.000 1.225 327 H CA -1.359 54.653 56.048 -0.061 0.000 1.410 327 H CB 0.216 29.989 29.762 0.019 0.000 1.495 327 H HN 0.232 nan 8.280 nan 0.000 0.602 328 P HA -0.116 nan 4.420 nan 0.000 0.262 328 P C 0.385 177.684 177.300 -0.001 0.000 1.182 328 P CA 0.242 63.337 63.100 -0.010 0.000 0.761 328 P CB 1.019 32.763 31.700 0.074 0.000 0.795 329 E N 4.731 124.906 120.200 -0.042 0.000 2.048 329 E HA -0.234 4.115 4.350 -0.001 0.000 0.202 329 E C 1.975 178.548 176.600 -0.046 0.000 1.021 329 E CA 2.405 58.782 56.400 -0.039 0.000 0.825 329 E CB -1.074 28.600 29.700 -0.042 0.000 0.756 329 E HN 0.534 nan 8.360 nan 0.000 0.454 330 A N -0.770 122.055 122.820 0.009 0.000 2.259 330 A HA -0.052 4.268 4.320 -0.001 0.000 0.212 330 A C 1.986 179.496 177.584 -0.124 0.000 1.178 330 A CA 1.551 53.585 52.037 -0.006 0.000 0.734 330 A CB -0.156 18.939 19.000 0.158 0.000 0.774 330 A HN 0.214 nan 8.150 nan 0.000 0.481 331 S N -1.277 114.341 115.700 -0.137 0.000 2.526 331 S HA 0.083 4.553 4.470 -0.001 0.000 0.220 331 S C 1.511 175.872 174.600 -0.398 0.000 1.017 331 S CA 0.024 58.059 58.200 -0.274 0.000 0.930 331 S CB 0.198 63.326 63.200 -0.120 0.000 0.856 331 S HN 0.602 nan 8.310 nan 0.000 0.497 332 K N 2.287 122.542 120.400 -0.242 0.000 2.074 332 K HA -0.164 4.156 4.320 -0.001 0.000 0.209 332 K C 1.901 178.344 176.600 -0.262 0.000 1.048 332 K CA 1.402 57.589 56.287 -0.168 0.000 0.926 332 K CB -0.215 32.240 32.500 -0.075 0.000 0.713 332 K HN 0.394 nan 8.250 nan 0.000 0.444 333 R N 0.167 120.398 120.500 -0.448 0.000 2.366 333 R HA -0.059 4.280 4.340 -0.001 0.000 0.201 333 R C 0.485 176.547 176.300 -0.395 0.000 1.057 333 R CA 0.926 56.762 56.100 -0.440 0.000 1.086 333 R CB -0.259 29.740 30.300 -0.501 0.000 0.914 333 R HN 0.238 nan 8.270 nan 0.000 0.476 334 F N 0.088 119.909 119.950 -0.215 0.000 2.798 334 F HA 0.330 4.857 4.527 -0.000 0.000 0.328 334 F C 0.227 175.896 175.800 -0.218 0.000 1.098 334 F CA -1.007 56.850 58.000 -0.238 0.000 1.172 334 F CB 0.709 39.442 39.000 -0.446 0.000 1.072 334 F HN -0.135 nan 8.300 nan 0.000 0.555 335 L N 0.927 122.112 121.223 -0.062 0.000 2.334 335 L HA 0.384 4.723 4.340 -0.001 0.000 0.275 335 L C -0.402 176.458 176.870 -0.017 0.000 1.036 335 L CA -1.020 53.775 54.840 -0.074 0.000 0.807 335 L CB 0.758 42.727 42.059 -0.149 0.000 1.231 335 L HN -0.109 nan 8.230 nan 0.000 0.438 336 D N 2.226 122.624 120.400 -0.004 0.000 2.382 336 D HA 0.215 4.855 4.640 -0.001 0.000 0.245 336 D C -2.164 174.160 176.300 0.040 0.000 1.120 336 D CA -0.998 53.015 54.000 0.022 0.000 0.890 336 D CB 0.833 41.650 40.800 0.029 0.000 1.201 336 D HN 0.201 nan 8.370 nan 0.000 0.433 337 P HA 0.023 nan 4.420 nan 0.000 0.268 337 P C 0.200 177.547 177.300 0.078 0.000 1.208 337 P CA 0.077 63.214 63.100 0.061 0.000 0.777 337 P CB 0.430 32.157 31.700 0.046 0.000 0.875 338 N N -1.802 116.960 118.700 0.102 0.000 2.878 338 N HA -0.183 4.556 4.740 -0.001 0.000 0.247 338 N C 0.008 175.608 175.510 0.150 0.000 1.021 338 N CA 0.692 53.809 53.050 0.112 0.000 0.873 338 N CB -1.501 37.035 38.487 0.082 0.000 1.128 338 N HN 0.551 nan 8.380 nan 0.000 0.571 339 Q N 2.418 122.327 119.800 0.182 0.000 2.244 339 Q HA 0.271 4.611 4.340 -0.001 0.000 0.278 339 Q C -2.336 173.877 176.000 0.356 0.000 1.093 339 Q CA -0.694 55.231 55.803 0.204 0.000 0.916 339 Q CB 0.707 29.492 28.738 0.079 0.000 1.159 339 Q HN 0.186 nan 8.270 nan 0.000 0.384 340 P HA 0.180 nan 4.420 nan 0.000 0.273 340 P C -2.576 175.002 177.300 0.463 0.000 1.250 340 P CA -1.241 62.058 63.100 0.331 0.000 0.793 340 P CB -0.023 31.862 31.700 0.307 0.000 1.011 341 P HA 0.088 nan 4.420 nan 0.000 0.267 341 P C -1.137 176.290 177.300 0.212 0.000 1.205 341 P CA 0.513 63.764 63.100 0.252 0.000 0.765 341 P CB -0.113 31.591 31.700 0.007 0.000 0.828 342 Y N 0.382 120.655 120.300 -0.044 0.000 2.605 342 Y HA 0.750 5.300 4.550 -0.001 0.000 0.343 342 Y C -1.278 174.149 175.900 -0.789 0.000 1.036 342 Y CA -1.692 55.775 58.100 -1.055 0.000 1.065 342 Y CB 0.730 38.524 38.460 -1.110 0.000 1.288 342 Y HN -0.011 nan 8.280 nan 0.000 0.481 343 V N 3.451 122.899 119.914 -0.777 0.000 2.398 343 V HA 0.627 4.746 4.120 -0.001 0.000 0.286 343 V C -0.793 175.374 176.094 0.122 0.000 1.026 343 V CA -0.394 61.653 62.300 -0.421 0.000 0.868 343 V CB 0.921 32.586 31.823 -0.263 0.000 0.982 343 V HN 0.769 nan 8.190 nan 0.000 0.443 344 L N 3.585 124.789 121.223 -0.031 0.000 2.600 344 L HA 0.482 4.821 4.340 -0.001 0.000 0.257 344 L C 0.461 177.216 176.870 -0.191 0.000 1.048 344 L CA -0.312 54.499 54.840 -0.049 0.000 0.869 344 L CB 1.657 43.780 42.059 0.106 0.000 1.482 344 L HN 0.538 nan 8.230 nan 0.000 0.408 345 Y N -0.401 119.959 120.300 0.099 0.000 2.132 345 Y HA -0.314 4.236 4.550 -0.001 0.000 0.280 345 Y C 1.890 177.793 175.900 0.004 0.000 1.193 345 Y CA 1.800 59.927 58.100 0.045 0.000 1.157 345 Y CB -0.607 37.855 38.460 0.003 0.000 0.966 345 Y HN 0.789 nan 8.280 nan 0.000 0.511 346 D N -0.283 120.147 120.400 0.050 0.000 2.103 346 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 346 D C 2.086 178.456 176.300 0.117 0.000 0.978 346 D CA 1.350 55.337 54.000 -0.021 0.000 0.829 346 D CB -1.134 39.418 40.800 -0.415 0.000 0.981 346 D HN 0.254 nan 8.370 nan 0.000 0.464 347 V N 1.104 121.011 119.914 -0.011 0.000 2.392 347 V HA -0.234 3.886 4.120 -0.001 0.000 0.249 347 V C 2.684 178.688 176.094 -0.150 0.000 1.059 347 V CA 1.342 63.584 62.300 -0.097 0.000 1.051 347 V CB -0.544 31.106 31.823 -0.288 0.000 0.658 347 V HN 0.214 nan 8.190 nan 0.000 0.455 348 I N -0.521 119.888 120.570 -0.269 0.000 2.179 348 I HA -0.191 3.979 4.170 -0.001 0.000 0.242 348 I C 1.752 177.796 176.117 -0.121 0.000 1.088 348 I CA 1.413 62.451 61.300 -0.438 0.000 1.357 348 I CB -0.200 37.456 38.000 -0.573 0.000 1.051 348 I HN 0.133 nan 8.210 nan 0.000 0.409 349 K N 1.945 122.378 120.400 0.056 0.000 2.502 349 K HA 0.267 4.586 4.320 -0.001 0.000 0.244 349 K C 1.141 177.830 176.600 0.148 0.000 1.249 349 K CA -0.093 56.273 56.287 0.132 0.000 1.193 349 K CB 0.362 32.981 32.500 0.199 0.000 1.674 349 K HN 0.191 nan 8.250 nan 0.000 0.302 350 A N 1.058 123.953 122.820 0.125 0.000 2.076 350 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 350 A C 1.980 179.649 177.584 0.141 0.000 1.160 350 A CA 2.067 54.214 52.037 0.183 0.000 0.653 350 A CB -0.435 18.748 19.000 0.305 0.000 0.801 350 A HN 0.716 nan 8.150 nan 0.000 0.455 351 S N -0.859 114.892 115.700 0.086 0.000 2.423 351 S HA -0.088 4.381 4.470 -0.001 0.000 0.231 351 S C 1.668 176.235 174.600 -0.056 0.000 1.014 351 S CA 1.294 59.517 58.200 0.038 0.000 0.965 351 S CB -0.043 63.183 63.200 0.043 0.000 0.785 351 S HN 0.506 nan 8.310 nan 0.000 0.495 352 K N 0.160 120.469 120.400 -0.152 0.000 2.350 352 K HA 0.327 4.646 4.320 -0.001 0.000 0.196 352 K C -0.512 175.600 176.600 -0.813 0.000 1.084 352 K CA 0.348 56.331 56.287 -0.506 0.000 0.967 352 K CB 0.156 32.251 32.500 -0.674 0.000 0.950 352 K HN 0.518 nan 8.250 nan 0.000 0.512 353 F N 3.227 123.185 119.950 0.013 0.000 2.660 353 F HA 0.295 4.822 4.527 -0.001 0.000 0.352 353 F C -2.339 173.388 175.800 -0.121 0.000 1.257 353 F CA -2.089 55.899 58.000 -0.020 0.000 1.200 353 F CB 1.512 40.529 39.000 0.028 0.000 1.473 353 F HN -0.153 nan 8.300 nan 0.000 0.561 354 P HA 0.381 nan 4.420 nan 0.000 0.281 354 P C 0.122 177.059 177.300 -0.604 0.000 1.264 354 P CA -0.131 62.671 63.100 -0.498 0.000 0.824 354 P CB 1.963 33.540 31.700 -0.205 0.000 1.092 355 G N 1.096 109.139 108.800 -1.262 0.000 2.568 355 G HA2 0.262 4.222 3.960 -0.001 0.000 0.293 355 G HA3 0.262 4.222 3.960 -0.001 0.000 0.293 355 G C 0.523 175.305 174.900 -0.196 0.000 1.347 355 G CA -0.447 44.338 45.100 -0.526 0.000 1.039 355 G HN 0.321 nan 8.290 nan 0.000 0.523 356 K N -0.428 119.961 120.400 -0.019 0.000 2.367 356 K HA 0.113 4.433 4.320 -0.001 0.000 0.194 356 K C 0.185 176.832 176.600 0.077 0.000 1.027 356 K CA 0.402 56.712 56.287 0.039 0.000 1.075 356 K CB 0.739 33.241 32.500 0.003 0.000 0.845 356 K HN 0.575 nan 8.250 nan 0.000 0.529 357 E N 1.784 122.063 120.200 0.131 0.000 2.376 357 E HA 0.228 4.577 4.350 -0.001 0.000 0.236 357 E C -2.671 173.886 176.600 -0.070 0.000 0.962 357 E CA -2.053 54.361 56.400 0.023 0.000 0.768 357 E CB 1.247 30.936 29.700 -0.018 0.000 1.236 357 E HN -0.094 nan 8.360 nan 0.000 0.431 358 P HA -0.081 nan 4.420 nan 0.000 0.267 358 P C -0.417 176.307 177.300 -0.960 0.000 1.200 358 P CA 0.053 62.466 63.100 -1.144 0.000 0.772 358 P CB 0.436 31.073 31.700 -1.771 0.000 0.855 359 N N 2.705 120.804 118.700 -1.002 0.000 2.968 359 N HA -0.006 4.734 4.740 -0.001 0.000 0.271 359 N C 1.157 176.242 175.510 -0.710 0.000 1.174 359 N CA -0.475 52.207 53.050 -0.612 0.000 1.096 359 N CB 0.002 38.232 38.487 -0.429 0.000 1.403 359 N HN 0.133 nan 8.380 nan 0.000 0.522 360 R N 1.175 121.302 120.500 -0.621 0.000 2.113 360 R HA -0.248 4.092 4.340 -0.001 0.000 0.244 360 R C 1.547 177.772 176.300 -0.126 0.000 1.142 360 R CA 1.387 57.260 56.100 -0.378 0.000 0.953 360 R CB -0.588 29.568 30.300 -0.239 0.000 0.860 360 R HN 0.688 nan 8.270 nan 0.000 0.438 361 E N 0.498 120.659 120.200 -0.064 0.000 2.153 361 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 361 E C 1.926 178.510 176.600 -0.027 0.000 0.988 361 E CA 0.810 57.270 56.400 0.101 0.000 0.811 361 E CB 0.002 29.891 29.700 0.316 0.000 0.746 361 E HN 0.116 nan 8.360 nan 0.000 0.466 362 L N -0.216 120.706 121.223 -0.501 0.000 2.072 362 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 362 L C 1.694 178.455 176.870 -0.183 0.000 1.079 362 L CA 1.497 55.735 54.840 -1.003 0.000 0.752 362 L CB -0.694 40.562 42.059 -1.340 0.000 0.906 362 L HN 0.207 nan 8.230 nan 0.000 0.436 363 W N 0.707 121.801 121.300 -0.343 0.000 2.321 363 W HA -0.160 4.500 4.660 -0.000 0.000 0.306 363 W C 2.550 179.005 176.519 -0.107 0.000 1.217 363 W CA 1.307 58.531 57.345 -0.203 0.000 1.257 363 W CB -0.758 28.586 29.460 -0.193 0.000 1.145 363 W HN 0.221 nan 8.180 nan 0.000 0.509 364 E N -1.128 119.170 120.200 0.164 0.000 2.072 364 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 364 E C 1.899 178.562 176.600 0.105 0.000 0.985 364 E CA 1.363 57.831 56.400 0.114 0.000 0.801 364 E CB -1.330 28.438 29.700 0.113 0.000 0.750 364 E HN 0.472 nan 8.360 nan 0.000 0.452 365 Y N 1.780 122.097 120.300 0.028 0.000 2.097 365 Y HA -0.195 4.355 4.550 -0.001 0.000 0.282 365 Y C 2.240 178.145 175.900 0.010 0.000 1.152 365 Y CA 1.532 59.666 58.100 0.057 0.000 1.136 365 Y CB -0.416 38.135 38.460 0.151 0.000 0.975 365 Y HN -0.081 nan 8.280 nan 0.000 0.498 366 L N 0.021 121.316 121.223 0.121 0.000 2.042 366 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 366 L C 2.572 179.372 176.870 -0.116 0.000 1.076 366 L CA 1.316 56.155 54.840 -0.002 0.000 0.749 366 L CB -0.991 41.053 42.059 -0.024 0.000 0.893 366 L HN 0.380 nan 8.230 nan 0.000 0.432 367 A N -0.410 122.355 122.820 -0.092 0.000 2.235 367 A HA 0.119 4.439 4.320 -0.001 0.000 0.208 367 A C 1.908 179.418 177.584 -0.124 0.000 1.172 367 A CA 1.042 53.017 52.037 -0.104 0.000 0.786 367 A CB -0.596 18.367 19.000 -0.062 0.000 0.804 367 A HN 0.457 nan 8.150 nan 0.000 0.479 368 G N -1.703 106.999 108.800 -0.163 0.000 3.192 368 G HA2 0.273 4.232 3.960 -0.001 0.000 0.239 368 G HA3 0.273 4.232 3.960 -0.001 0.000 0.239 368 G C 1.054 175.826 174.900 -0.214 0.000 1.084 368 G CA 0.755 45.752 45.100 -0.172 0.000 0.784 368 G HN 0.181 nan 8.290 nan 0.000 0.540 369 V N 1.382 121.136 119.914 -0.267 0.000 2.270 369 V HA -0.122 3.998 4.120 -0.001 0.000 0.245 369 V C 2.689 178.715 176.094 -0.114 0.000 1.043 369 V CA 1.527 63.703 62.300 -0.208 0.000 1.014 369 V CB -0.460 31.236 31.823 -0.211 0.000 0.645 369 V HN 0.369 nan 8.190 nan 0.000 0.447 370 I N 0.092 120.460 120.570 -0.338 0.000 2.179 370 I HA -0.145 4.025 4.170 -0.001 0.000 0.242 370 I C -0.241 175.806 176.117 -0.116 0.000 1.088 370 I CA 1.600 62.707 61.300 -0.321 0.000 1.357 370 I CB -1.496 36.259 38.000 -0.408 0.000 1.051 370 I HN 0.341 nan 8.210 nan 0.000 0.409 371 P HA -0.209 nan 4.420 nan 0.000 0.218 371 P C 1.431 178.590 177.300 -0.235 0.000 1.148 371 P CA 1.498 64.444 63.100 -0.255 0.000 0.822 371 P CB -0.123 31.445 31.700 -0.219 0.000 0.784 372 H N -1.749 117.179 119.070 -0.236 0.000 2.387 372 H HA -0.166 4.390 4.556 -0.001 0.000 0.299 372 H C 1.481 176.608 175.328 -0.335 0.000 1.090 372 H CA 1.761 57.628 56.048 -0.301 0.000 1.332 372 H CB -0.700 28.863 29.762 -0.332 0.000 1.386 372 H HN 0.143 nan 8.280 nan 0.000 0.516 373 Y N 0.355 120.617 120.300 -0.062 0.000 2.286 373 Y HA -0.074 4.475 4.550 -0.000 0.000 0.293 373 Y C 2.706 178.644 175.900 0.063 0.000 1.124 373 Y CA 1.116 59.292 58.100 0.128 0.000 1.178 373 Y CB -0.104 38.596 38.460 0.401 0.000 1.010 373 Y HN 0.309 nan 8.280 nan 0.000 0.536 374 Q N 0.483 120.320 119.800 0.062 0.000 1.993 374 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 374 Q C 2.045 177.921 176.000 -0.206 0.000 0.984 374 Q CA 1.841 57.627 55.803 -0.029 0.000 0.837 374 Q CB -0.244 28.372 28.738 -0.204 0.000 0.902 374 Q HN 0.423 nan 8.270 nan 0.000 0.423 375 K N 0.744 120.843 120.400 -0.502 0.000 2.057 375 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 375 K C 2.081 178.482 176.600 -0.332 0.000 1.049 375 K CA 1.082 57.088 56.287 -0.468 0.000 0.931 375 K CB -0.056 32.134 32.500 -0.517 0.000 0.714 375 K HN 0.023 nan 8.250 nan 0.000 0.440 376 K N -0.257 119.836 120.400 -0.511 0.000 2.116 376 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 376 K C 0.985 177.201 176.600 -0.641 0.000 1.052 376 K CA 1.263 57.114 56.287 -0.726 0.000 0.952 376 K CB 0.256 31.979 32.500 -1.294 0.000 0.729 376 K HN 0.197 nan 8.250 nan 0.000 0.446 377 Y N -1.822 118.467 120.300 -0.019 0.000 2.432 377 Y HA 0.276 4.826 4.550 -0.000 0.000 0.252 377 Y C 0.826 176.730 175.900 0.006 0.000 1.097 377 Y CA -0.131 57.980 58.100 0.019 0.000 1.250 377 Y CB 1.606 40.151 38.460 0.143 0.000 1.245 377 Y HN 0.154 nan 8.280 nan 0.000 0.522 378 G N 2.484 111.384 108.800 0.168 0.000 2.212 378 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.255 378 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.255 378 G C 0.203 175.248 174.900 0.242 0.000 1.062 378 G CA 0.209 45.405 45.100 0.159 0.000 0.815 378 G HN 0.526 nan 8.290 nan 0.000 0.497 379 I N -3.149 117.610 120.570 0.315 0.000 2.938 379 I HA 0.495 4.665 4.170 -0.001 0.000 0.285 379 I C 0.862 177.224 176.117 0.408 0.000 1.182 379 I CA 0.270 61.788 61.300 0.364 0.000 1.388 379 I CB 0.527 38.816 38.000 0.481 0.000 1.390 379 I HN -0.007 nan 8.210 nan 0.000 0.600 380 D N 2.146 122.731 120.400 0.308 0.000 2.392 380 D HA 0.352 4.992 4.640 -0.001 0.000 0.206 380 D C 0.599 176.907 176.300 0.013 0.000 1.046 380 D CA 0.428 54.545 54.000 0.196 0.000 0.865 380 D CB 0.790 41.552 40.800 -0.063 0.000 0.969 380 D HN 0.877 nan 8.370 nan 0.000 0.509 381 G N -0.508 108.170 108.800 -0.203 0.000 2.548 381 G HA2 0.696 4.655 3.960 -0.001 0.000 0.301 381 G HA3 0.696 4.655 3.960 -0.001 0.000 0.301 381 G C -1.887 172.861 174.900 -0.254 0.000 1.349 381 G CA -0.287 44.283 45.100 -0.883 0.000 0.792 381 G HN 0.228 nan 8.290 nan 0.000 0.481 382 A N -0.509 122.238 122.820 -0.122 0.000 2.605 382 A HA 0.850 5.170 4.320 -0.001 0.000 0.294 382 A C -0.891 176.849 177.584 0.260 0.000 1.062 382 A CA -0.560 51.656 52.037 0.298 0.000 0.682 382 A CB 1.787 21.231 19.000 0.739 0.000 1.278 382 A HN 1.052 nan 8.150 nan 0.000 0.410 383 R N 1.300 121.971 120.500 0.286 0.000 2.393 383 R HA 0.710 5.050 4.340 -0.001 0.000 0.310 383 R C -1.632 174.848 176.300 0.301 0.000 0.968 383 R CA -0.551 55.683 56.100 0.223 0.000 0.867 383 R CB 1.086 31.482 30.300 0.160 0.000 1.124 383 R HN 0.765 nan 8.270 nan 0.000 0.450 384 L N 4.444 125.840 121.223 0.288 0.000 2.287 384 L HA 0.409 4.748 4.340 -0.001 0.000 0.287 384 L C -1.196 175.792 176.870 0.197 0.000 1.022 384 L CA -0.695 54.325 54.840 0.299 0.000 0.814 384 L CB 1.458 43.722 42.059 0.341 0.000 1.217 384 L HN 0.703 nan 8.230 nan 0.000 0.420 385 D N 5.799 126.317 120.400 0.197 0.000 2.175 385 D HA 0.278 4.918 4.640 -0.001 0.000 0.248 385 D C 0.549 176.924 176.300 0.125 0.000 1.047 385 D CA -0.044 54.039 54.000 0.139 0.000 0.883 385 D CB 2.045 42.950 40.800 0.175 0.000 1.180 385 D HN 0.682 nan 8.370 nan 0.000 0.438 386 M N 0.730 120.386 119.600 0.093 0.000 2.732 386 M HA -0.205 4.274 4.480 -0.001 0.000 0.207 386 M C 0.879 177.246 176.300 0.112 0.000 0.513 386 M CA 0.634 56.013 55.300 0.131 0.000 0.652 386 M CB -0.900 31.803 32.600 0.171 0.000 2.410 386 M HN 0.610 nan 8.290 nan 0.000 0.660 387 G N -1.157 107.669 108.800 0.044 0.000 2.498 387 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.219 387 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.219 387 G C 0.555 175.464 174.900 0.015 0.000 1.119 387 G CA 1.265 46.393 45.100 0.047 0.000 0.766 387 G HN 0.817 nan 8.290 nan 0.000 0.552 388 H N 0.240 119.357 119.070 0.078 0.000 2.421 388 H HA 0.088 4.643 4.556 -0.001 0.000 0.298 388 H C 2.727 178.092 175.328 0.062 0.000 1.087 388 H CA 1.065 57.150 56.048 0.061 0.000 1.330 388 H CB 0.228 30.022 29.762 0.054 0.000 1.388 388 H HN 0.433 nan 8.280 nan 0.000 0.526 389 A N 0.539 123.472 122.820 0.188 0.000 2.169 389 A HA 0.117 4.437 4.320 -0.001 0.000 0.212 389 A C 0.674 178.304 177.584 0.077 0.000 1.153 389 A CA 0.011 52.126 52.037 0.131 0.000 0.756 389 A CB -0.042 19.040 19.000 0.136 0.000 0.813 389 A HN 0.165 nan 8.150 nan 0.000 0.471 390 L N 1.018 122.266 121.223 0.042 0.000 2.349 390 L HA 0.282 4.621 4.340 -0.001 0.000 0.275 390 L C -2.425 174.414 176.870 -0.052 0.000 1.115 390 L CA -2.075 52.739 54.840 -0.044 0.000 0.820 390 L CB 0.693 42.698 42.059 -0.091 0.000 1.135 390 L HN -0.002 nan 8.230 nan 0.000 0.445 391 P HA -0.006 nan 4.420 nan 0.000 0.268 391 P C 0.327 177.577 177.300 -0.085 0.000 1.205 391 P CA -0.187 62.900 63.100 -0.022 0.000 0.771 391 P CB 0.648 32.377 31.700 0.048 0.000 0.858 392 K N 2.775 123.170 120.400 -0.009 0.000 2.113 392 K HA -0.269 4.050 4.320 -0.001 0.000 0.208 392 K C 1.681 178.257 176.600 -0.040 0.000 1.047 392 K CA 1.809 58.085 56.287 -0.018 0.000 0.928 392 K CB -0.041 32.468 32.500 0.015 0.000 0.716 392 K HN 0.481 nan 8.250 nan 0.000 0.446 393 E N 0.204 120.402 120.200 -0.002 0.000 2.106 393 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 393 E C 2.016 178.563 176.600 -0.088 0.000 0.984 393 E CA 0.846 57.271 56.400 0.041 0.000 0.806 393 E CB -0.015 29.832 29.700 0.246 0.000 0.750 393 E HN 0.260 nan 8.360 nan 0.000 0.458 394 L N 1.010 121.987 121.223 -0.410 0.000 2.109 394 L HA -0.090 4.250 4.340 -0.001 0.000 0.207 394 L C 2.053 178.721 176.870 -0.336 0.000 1.086 394 L CA 1.314 55.770 54.840 -0.640 0.000 0.760 394 L CB -0.498 40.776 42.059 -1.308 0.000 0.910 394 L HN 0.256 nan 8.230 nan 0.000 0.437 395 L N -0.764 120.310 121.223 -0.249 0.000 2.056 395 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 395 L C 1.945 178.726 176.870 -0.149 0.000 1.078 395 L CA 1.870 56.606 54.840 -0.173 0.000 0.749 395 L CB -0.800 41.184 42.059 -0.125 0.000 0.901 395 L HN 0.305 nan 8.230 nan 0.000 0.433 396 D N 0.031 120.362 120.400 -0.115 0.000 2.117 396 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 396 D C 2.075 178.335 176.300 -0.067 0.000 0.987 396 D CA 1.082 55.034 54.000 -0.080 0.000 0.829 396 D CB -0.156 40.620 40.800 -0.041 0.000 0.961 396 D HN 0.248 nan 8.370 nan 0.000 0.460 397 L N 0.640 121.826 121.223 -0.062 0.000 2.017 397 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 397 L C 2.123 178.953 176.870 -0.066 0.000 1.073 397 L CA 1.339 56.154 54.840 -0.041 0.000 0.745 397 L CB -0.399 41.652 42.059 -0.012 0.000 0.894 397 L HN 0.017 nan 8.230 nan 0.000 0.432 398 I N -0.748 119.761 120.570 -0.101 0.000 2.208 398 I HA -0.348 3.822 4.170 -0.001 0.000 0.245 398 I C 2.326 178.387 176.117 -0.093 0.000 1.097 398 I CA 1.687 62.923 61.300 -0.107 0.000 1.363 398 I CB -0.234 37.694 38.000 -0.120 0.000 1.051 398 I HN 0.275 nan 8.210 nan 0.000 0.413 399 I N 0.223 120.737 120.570 -0.094 0.000 2.406 399 I HA -0.241 3.929 4.170 -0.001 0.000 0.249 399 I C 2.574 178.666 176.117 -0.041 0.000 1.122 399 I CA 0.924 62.181 61.300 -0.072 0.000 1.431 399 I CB -0.324 37.603 38.000 -0.122 0.000 1.087 399 I HN 0.177 nan 8.210 nan 0.000 0.424 400 K N 1.310 121.685 120.400 -0.041 0.000 2.032 400 K HA -0.223 4.097 4.320 -0.001 0.000 0.209 400 K C 1.885 178.476 176.600 -0.016 0.000 1.048 400 K CA 1.879 58.155 56.287 -0.019 0.000 0.927 400 K CB -0.032 32.460 32.500 -0.014 0.000 0.712 400 K HN 0.208 nan 8.250 nan 0.000 0.441 401 N N 0.652 119.331 118.700 -0.035 0.000 2.149 401 N HA -0.158 4.582 4.740 -0.001 0.000 0.188 401 N C 1.807 177.283 175.510 -0.057 0.000 1.019 401 N CA 1.663 54.689 53.050 -0.040 0.000 0.857 401 N CB -0.417 38.032 38.487 -0.064 0.000 0.997 401 N HN 0.308 nan 8.380 nan 0.000 0.426 402 V N -1.230 118.615 119.914 -0.116 0.000 2.379 402 V HA 0.015 4.134 4.120 -0.001 0.000 0.245 402 V C 1.929 177.974 176.094 -0.082 0.000 1.044 402 V CA 1.191 63.345 62.300 -0.243 0.000 1.036 402 V CB -0.399 31.124 31.823 -0.500 0.000 0.664 402 V HN 0.010 nan 8.190 nan 0.000 0.453 403 K N 0.569 120.977 120.400 0.014 0.000 2.211 403 K HA -0.132 4.187 4.320 -0.001 0.000 0.203 403 K C 2.146 178.794 176.600 0.080 0.000 1.050 403 K CA 1.746 58.086 56.287 0.088 0.000 0.945 403 K CB -0.295 32.251 32.500 0.076 0.000 0.732 403 K HN 0.751 nan 8.250 nan 0.000 0.451 404 E N -0.260 119.977 120.200 0.062 0.000 2.077 404 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 404 E C 1.834 178.497 176.600 0.105 0.000 0.989 404 E CA 0.991 57.431 56.400 0.066 0.000 0.800 404 E CB -0.090 29.644 29.700 0.055 0.000 0.746 404 E HN 0.295 nan 8.360 nan 0.000 0.452 405 Y N 0.345 120.656 120.300 0.018 0.000 2.286 405 Y HA -0.011 4.538 4.550 -0.001 0.000 0.293 405 Y C 0.059 176.082 175.900 0.206 0.000 1.124 405 Y CA 1.273 59.417 58.100 0.073 0.000 1.178 405 Y CB 0.675 39.144 38.460 0.015 0.000 1.010 405 Y HN -0.101 nan 8.280 nan 0.000 0.536 406 D N -0.085 120.416 120.400 0.168 0.000 2.323 406 D HA 0.191 4.830 4.640 -0.001 0.000 0.242 406 D C -2.401 174.050 176.300 0.252 0.000 1.347 406 D CA -2.206 51.941 54.000 0.245 0.000 0.988 406 D CB 1.497 42.464 40.800 0.278 0.000 1.314 406 D HN -0.004 nan 8.370 nan 0.000 0.564 407 P HA 0.000 nan 4.420 nan 0.000 0.234 407 P C 0.785 178.213 177.300 0.214 0.000 1.167 407 P CA 0.330 63.530 63.100 0.166 0.000 0.763 407 P CB 0.383 32.141 31.700 0.096 0.000 0.835 408 A N -0.969 122.019 122.820 0.280 0.000 2.238 408 A HA 0.124 4.443 4.320 -0.001 0.000 0.210 408 A C 0.702 178.576 177.584 0.483 0.000 1.179 408 A CA -0.541 51.703 52.037 0.346 0.000 0.827 408 A CB -1.149 18.049 19.000 0.329 0.000 0.856 408 A HN 0.138 nan 8.150 nan 0.000 0.488 409 F N 0.925 121.038 119.950 0.273 0.000 2.608 409 F HA 0.235 4.762 4.527 -0.000 0.000 0.380 409 F C 0.133 176.060 175.800 0.213 0.000 1.083 409 F CA 0.524 58.691 58.000 0.279 0.000 1.266 409 F CB 0.685 39.809 39.000 0.208 0.000 1.076 409 F HN -0.087 nan 8.300 nan 0.000 0.574 410 V N 8.169 127.926 119.914 -0.262 0.000 2.364 410 V HA 0.196 4.315 4.120 -0.001 0.000 0.272 410 V C 0.180 176.120 176.094 -0.257 0.000 1.036 410 V CA -0.750 61.388 62.300 -0.271 0.000 0.880 410 V CB 1.141 32.691 31.823 -0.455 0.000 0.991 410 V HN 0.579 nan 8.190 nan 0.000 0.460 411 M N 6.284 125.874 119.600 -0.016 0.000 2.113 411 M HA 0.521 5.000 4.480 -0.001 0.000 0.352 411 M C -0.531 175.872 176.300 0.172 0.000 1.170 411 M CA -0.227 55.151 55.300 0.130 0.000 1.053 411 M CB 1.162 33.857 32.600 0.159 0.000 1.601 411 M HN 0.405 nan 8.290 nan 0.000 0.459 412 I N 2.692 123.359 120.570 0.160 0.000 2.339 412 I HA 0.434 4.604 4.170 -0.001 0.000 0.290 412 I C 0.416 176.573 176.117 0.068 0.000 0.994 412 I CA -0.776 60.568 61.300 0.074 0.000 1.191 412 I CB 1.629 39.607 38.000 -0.036 0.000 1.343 412 I HN 0.689 nan 8.210 nan 0.000 0.458 413 A N 5.516 128.224 122.820 -0.187 0.000 2.363 413 A HA 0.204 4.524 4.320 -0.001 0.000 0.270 413 A C 0.345 177.738 177.584 -0.318 0.000 1.121 413 A CA -0.383 51.273 52.037 -0.635 0.000 0.800 413 A CB 0.334 18.542 19.000 -1.320 0.000 1.052 413 A HN 0.793 nan 8.150 nan 0.000 0.493 414 E N 1.632 121.687 120.200 -0.242 0.000 1.972 414 E HA 0.137 4.486 4.350 -0.001 0.000 0.292 414 E C -0.741 175.777 176.600 -0.137 0.000 1.193 414 E CA -0.038 56.287 56.400 -0.126 0.000 1.228 414 E CB 0.070 29.741 29.700 -0.048 0.000 1.167 414 E HN 0.514 nan 8.360 nan 0.000 0.479 415 E N 3.468 123.584 120.200 -0.140 0.000 2.182 415 E HA 0.153 4.503 4.350 -0.001 0.000 0.258 415 E C 0.048 176.643 176.600 -0.008 0.000 0.879 415 E CA -0.365 55.992 56.400 -0.072 0.000 0.754 415 E CB 0.944 30.551 29.700 -0.156 0.000 1.162 415 E HN 0.472 nan 8.360 nan 0.000 0.419 416 L N 2.075 123.324 121.223 0.045 0.000 2.375 416 L HA 0.206 4.546 4.340 -0.001 0.000 0.215 416 L C 0.701 177.581 176.870 0.017 0.000 1.108 416 L CA 0.188 55.061 54.840 0.056 0.000 0.830 416 L CB 0.153 42.266 42.059 0.090 0.000 0.959 416 L HN 0.448 nan 8.230 nan 0.000 0.457 417 D N 0.657 121.059 120.400 0.003 0.000 2.365 417 D HA 0.096 4.736 4.640 -0.001 0.000 0.237 417 D C 1.054 177.323 176.300 -0.051 0.000 1.190 417 D CA 0.063 54.047 54.000 -0.027 0.000 0.867 417 D CB 1.062 41.846 40.800 -0.027 0.000 1.050 417 D HN 0.050 nan 8.370 nan 0.000 0.491 418 M N 2.088 121.637 119.600 -0.085 0.000 2.632 418 M HA -0.072 4.407 4.480 -0.001 0.000 0.256 418 M C 1.121 177.344 176.300 -0.129 0.000 1.080 418 M CA 0.866 56.081 55.300 -0.141 0.000 1.084 418 M CB 0.145 32.599 32.600 -0.243 0.000 1.439 418 M HN 0.445 nan 8.290 nan 0.000 0.509 419 E N 0.277 120.422 120.200 -0.093 0.000 2.385 419 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 419 E C 0.922 177.489 176.600 -0.054 0.000 1.013 419 E CA 0.391 56.744 56.400 -0.078 0.000 0.866 419 E CB 0.285 29.946 29.700 -0.066 0.000 0.832 419 E HN 0.432 nan 8.360 nan 0.000 0.500 420 K N 1.697 122.072 120.400 -0.042 0.000 2.520 420 K HA -0.028 4.291 4.320 -0.001 0.000 0.205 420 K C 0.838 177.422 176.600 -0.028 0.000 1.035 420 K CA 0.134 56.410 56.287 -0.019 0.000 1.188 420 K CB 0.292 32.803 32.500 0.018 0.000 0.894 420 K HN 0.188 nan 8.250 nan 0.000 0.497 421 D N 1.343 121.716 120.400 -0.045 0.000 2.097 421 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 421 D C 1.238 177.528 176.300 -0.017 0.000 0.984 421 D CA 1.252 55.228 54.000 -0.041 0.000 0.826 421 D CB -0.032 40.733 40.800 -0.058 0.000 0.973 421 D HN 0.070 nan 8.370 nan 0.000 0.460 422 K N 0.829 121.218 120.400 -0.018 0.000 2.032 422 K HA -0.066 4.254 4.320 -0.001 0.000 0.209 422 K C 2.423 179.031 176.600 0.013 0.000 1.048 422 K CA 1.603 57.888 56.287 -0.005 0.000 0.927 422 K CB -0.272 32.221 32.500 -0.011 0.000 0.712 422 K HN 0.211 nan 8.250 nan 0.000 0.441 423 A N 1.039 123.868 122.820 0.015 0.000 1.930 423 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 423 A C 2.190 179.811 177.584 0.062 0.000 1.175 423 A CA 1.722 53.779 52.037 0.034 0.000 0.627 423 A CB -0.417 18.605 19.000 0.036 0.000 0.815 423 A HN 0.185 nan 8.150 nan 0.000 0.443 424 S N -0.452 115.276 115.700 0.047 0.000 2.383 424 S HA -0.135 4.335 4.470 -0.001 0.000 0.227 424 S C 1.968 176.682 174.600 0.191 0.000 1.026 424 S CA 1.509 59.767 58.200 0.097 0.000 0.981 424 S CB -0.200 62.964 63.200 -0.060 0.000 0.818 424 S HN 0.696 nan 8.310 nan 0.000 0.472 425 K N 1.388 121.845 120.400 0.095 0.000 2.057 425 K HA -0.100 4.220 4.320 -0.001 0.000 0.206 425 K C 1.811 178.451 176.600 0.066 0.000 1.050 425 K CA 1.328 57.662 56.287 0.078 0.000 0.935 425 K CB -0.094 32.428 32.500 0.037 0.000 0.715 425 K HN 0.357 nan 8.250 nan 0.000 0.439 426 E N -0.277 119.956 120.200 0.056 0.000 2.268 426 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 426 E C 1.638 178.263 176.600 0.042 0.000 0.995 426 E CA 0.773 57.197 56.400 0.039 0.000 0.836 426 E CB 0.035 29.754 29.700 0.032 0.000 0.763 426 E HN 0.414 nan 8.360 nan 0.000 0.491 427 A N 0.127 122.997 122.820 0.084 0.000 2.169 427 A HA 0.215 4.535 4.320 -0.001 0.000 0.212 427 A C 1.789 179.333 177.584 -0.067 0.000 1.153 427 A CA 0.971 53.045 52.037 0.061 0.000 0.756 427 A CB -0.008 19.121 19.000 0.214 0.000 0.813 427 A HN 0.341 nan 8.150 nan 0.000 0.471 428 G N -2.896 105.881 108.800 -0.039 0.000 2.192 428 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.193 428 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.193 428 G C -0.024 174.791 174.900 -0.142 0.000 0.999 428 G CA -0.041 44.991 45.100 -0.113 0.000 0.659 428 G HN 0.369 nan 8.290 nan 0.000 0.503 429 Y N 0.896 121.196 120.300 -0.000 0.000 2.300 429 Y HA 0.483 5.033 4.550 -0.000 0.000 0.328 429 Y C 1.336 177.225 175.900 -0.018 0.000 1.270 429 Y CA 0.193 58.291 58.100 -0.004 0.000 1.352 429 Y CB 0.777 39.226 38.460 -0.019 0.000 1.286 429 Y HN 0.017 nan 8.280 nan 0.000 0.536 430 D N -0.019 120.467 120.400 0.143 0.000 2.454 430 D HA 0.174 4.814 4.640 -0.001 0.000 0.214 430 D C -0.642 175.651 176.300 -0.011 0.000 1.088 430 D CA 0.701 54.717 54.000 0.027 0.000 0.855 430 D CB 1.004 41.779 40.800 -0.041 0.000 1.025 430 D HN 0.152 nan 8.370 nan 0.000 0.502 431 V N 1.525 121.445 119.914 0.010 0.000 3.087 431 V HA 0.421 4.541 4.120 -0.001 0.000 0.306 431 V C -0.662 175.408 176.094 -0.040 0.000 1.187 431 V CA -1.138 61.142 62.300 -0.034 0.000 0.999 431 V CB 3.108 34.877 31.823 -0.091 0.000 1.049 431 V HN 0.010 nan 8.190 nan 0.000 0.431 432 I N 0.666 121.219 120.570 -0.028 0.000 2.646 432 I HA 0.559 4.729 4.170 -0.001 0.000 0.299 432 I C 0.619 176.724 176.117 -0.020 0.000 1.036 432 I CA -0.557 60.708 61.300 -0.060 0.000 1.074 432 I CB 1.980 39.948 38.000 -0.054 0.000 1.258 432 I HN 0.499 nan 8.210 nan 0.000 0.430 433 L N 4.567 125.755 121.223 -0.059 0.000 2.017 433 L HA 0.291 4.630 4.340 -0.001 0.000 0.208 433 L C 1.270 178.182 176.870 0.070 0.000 1.073 433 L CA 2.411 57.225 54.840 -0.044 0.000 0.745 433 L CB -1.032 40.986 42.059 -0.069 0.000 0.894 433 L HN 1.185 nan 8.230 nan 0.000 0.432 434 G N -1.561 107.278 108.800 0.064 0.000 2.752 434 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.234 434 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.234 434 G C 0.178 175.153 174.900 0.124 0.000 1.367 434 G CA -0.108 45.035 45.100 0.071 0.000 0.879 434 G HN 0.332 nan 8.290 nan 0.000 0.563 435 S N -0.122 115.610 115.700 0.054 0.000 2.977 435 S HA 0.350 4.820 4.470 -0.001 0.000 0.250 435 S C 1.794 176.249 174.600 -0.242 0.000 1.005 435 S CA 0.889 59.033 58.200 -0.093 0.000 1.081 435 S CB 0.358 63.461 63.200 -0.162 0.000 1.018 435 S HN 1.701 nan 8.310 nan 0.000 0.539 436 S N 1.799 117.525 115.700 0.044 0.000 2.402 436 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 436 S C 1.940 176.612 174.600 0.121 0.000 1.030 436 S CA 1.097 59.392 58.200 0.158 0.000 1.003 436 S CB -0.909 62.479 63.200 0.312 0.000 0.813 436 S HN 0.894 nan 8.310 nan 0.000 0.477 437 W N 0.652 122.112 121.300 0.265 0.000 2.387 437 W HA -0.137 4.522 4.660 -0.001 0.000 0.272 437 W C 1.919 178.525 176.519 0.145 0.000 1.224 437 W CA 0.610 58.064 57.345 0.182 0.000 1.210 437 W CB -1.194 28.343 29.460 0.129 0.000 1.125 437 W HN 0.401 nan 8.180 nan 0.000 0.572 438 Y N 1.327 120.980 120.300 -1.079 0.000 2.220 438 Y HA -0.139 4.410 4.550 -0.000 0.000 0.291 438 Y C 2.204 177.780 175.900 -0.540 0.000 1.129 438 Y CA 2.109 59.602 58.100 -1.012 0.000 1.161 438 Y CB -0.999 36.563 38.460 -1.496 0.000 0.997 438 Y HN -0.206 nan 8.280 nan 0.000 0.522 439 F N -0.250 119.552 119.950 -0.246 0.000 2.234 439 F HA 0.082 4.609 4.527 -0.000 0.000 0.296 439 F C 2.577 178.304 175.800 -0.121 0.000 1.089 439 F CA 0.838 58.733 58.000 -0.175 0.000 1.343 439 F CB -1.285 37.672 39.000 -0.071 0.000 1.040 439 F HN 0.072 nan 8.300 nan 0.000 0.498 440 A N 0.446 123.360 122.820 0.156 0.000 2.024 440 A HA -0.044 4.276 4.320 -0.001 0.000 0.220 440 A C 2.416 180.042 177.584 0.070 0.000 1.164 440 A CA 1.702 53.810 52.037 0.119 0.000 0.643 440 A CB -1.498 17.590 19.000 0.147 0.000 0.806 440 A HN 0.406 nan 8.150 nan 0.000 0.451 441 G N -1.218 107.598 108.800 0.025 0.000 2.985 441 G HA2 0.221 4.180 3.960 -0.001 0.000 0.209 441 G HA3 0.221 4.180 3.960 -0.001 0.000 0.209 441 G C 0.650 175.524 174.900 -0.044 0.000 1.165 441 G CA -0.378 44.729 45.100 0.011 0.000 0.776 441 G HN 0.456 nan 8.290 nan 0.000 0.541 442 R N 0.548 120.998 120.500 -0.084 0.000 2.388 442 R HA 0.277 4.617 4.340 -0.001 0.000 0.314 442 R C 1.344 177.649 176.300 0.009 0.000 0.959 442 R CA -0.430 55.623 56.100 -0.079 0.000 0.851 442 R CB 1.971 32.139 30.300 -0.220 0.000 1.168 442 R HN 0.046 nan 8.270 nan 0.000 0.472 443 V N 0.451 120.406 119.914 0.070 0.000 2.453 443 V HA -0.261 3.858 4.120 -0.001 0.000 0.252 443 V C 1.790 177.919 176.094 0.058 0.000 1.068 443 V CA 2.018 64.366 62.300 0.079 0.000 1.070 443 V CB -0.392 31.493 31.823 0.103 0.000 0.664 443 V HN 0.827 nan 8.190 nan 0.000 0.461 444 E N 0.061 120.288 120.200 0.046 0.000 2.482 444 E HA -0.120 4.230 4.350 -0.001 0.000 0.196 444 E C 1.456 178.083 176.600 0.045 0.000 1.047 444 E CA 1.126 57.549 56.400 0.039 0.000 0.869 444 E CB -0.050 29.668 29.700 0.030 0.000 0.836 444 E HN 0.774 nan 8.360 nan 0.000 0.520 445 E N 0.327 120.554 120.200 0.045 0.000 2.474 445 E HA 0.173 4.523 4.350 -0.001 0.000 0.215 445 E C 2.019 178.729 176.600 0.184 0.000 0.867 445 E CA -0.192 56.276 56.400 0.112 0.000 1.135 445 E CB -0.003 29.709 29.700 0.021 0.000 1.147 445 E HN 0.204 nan 8.360 nan 0.000 0.534 446 I N 1.610 122.254 120.570 0.122 0.000 2.315 446 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 446 I C 2.046 178.214 176.117 0.085 0.000 1.125 446 I CA 1.566 62.939 61.300 0.122 0.000 1.392 446 I CB -0.041 38.018 38.000 0.097 0.000 1.065 446 I HN 0.088 nan 8.210 nan 0.000 0.424 447 G N 0.196 109.041 108.800 0.075 0.000 2.535 447 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 447 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 447 G C 1.592 176.501 174.900 0.014 0.000 1.122 447 G CA 0.408 45.541 45.100 0.054 0.000 0.769 447 G HN 0.400 nan 8.290 nan 0.000 0.549 448 K N -0.217 120.184 120.400 0.001 0.000 2.366 448 K HA 0.233 4.553 4.320 -0.001 0.000 0.198 448 K C 2.228 178.686 176.600 -0.236 0.000 1.044 448 K CA -0.068 56.168 56.287 -0.084 0.000 0.973 448 K CB -0.080 32.396 32.500 -0.039 0.000 0.767 448 K HN 0.260 nan 8.250 nan 0.000 0.475 449 L N 1.007 122.083 121.223 -0.245 0.000 2.042 449 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 449 L C -0.777 175.916 176.870 -0.295 0.000 1.076 449 L CA 1.617 56.260 54.840 -0.329 0.000 0.749 449 L CB -1.369 40.578 42.059 -0.186 0.000 0.893 449 L HN 0.078 nan 8.230 nan 0.000 0.432 450 P HA -0.183 nan 4.420 nan 0.000 0.214 450 P C 0.995 178.149 177.300 -0.244 0.000 1.163 450 P CA 1.533 64.479 63.100 -0.257 0.000 0.889 450 P CB -0.008 31.643 31.700 -0.081 0.000 0.790 451 D N -0.970 119.342 120.400 -0.147 0.000 2.144 451 D HA -0.088 4.552 4.640 -0.001 0.000 0.200 451 D C 2.049 178.202 176.300 -0.246 0.000 0.978 451 D CA 0.959 54.871 54.000 -0.146 0.000 0.833 451 D CB -0.500 40.249 40.800 -0.084 0.000 0.961 451 D HN 0.202 nan 8.370 nan 0.000 0.470 452 I N 1.453 121.839 120.570 -0.307 0.000 2.163 452 I HA -0.270 3.899 4.170 -0.001 0.000 0.243 452 I C 2.580 178.445 176.117 -0.420 0.000 1.085 452 I CA 1.130 62.206 61.300 -0.374 0.000 1.347 452 I CB -0.199 37.493 38.000 -0.514 0.000 1.044 452 I HN -0.079 nan 8.210 nan 0.000 0.408 453 A N 0.258 122.798 122.820 -0.467 0.000 1.898 453 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 453 A C 2.201 179.558 177.584 -0.379 0.000 1.181 453 A CA 1.888 53.647 52.037 -0.464 0.000 0.620 453 A CB -0.558 18.241 19.000 -0.336 0.000 0.819 453 A HN 0.394 nan 8.150 nan 0.000 0.442 454 E N 0.259 120.167 120.200 -0.487 0.000 2.118 454 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 454 E C 1.894 178.332 176.600 -0.271 0.000 0.992 454 E CA 1.529 57.625 56.400 -0.507 0.000 0.804 454 E CB -0.207 29.078 29.700 -0.692 0.000 0.741 454 E HN 0.599 nan 8.360 nan 0.000 0.458 455 E N -0.042 120.020 120.200 -0.230 0.000 2.427 455 E HA -0.041 4.308 4.350 -0.001 0.000 0.196 455 E C 0.100 176.618 176.600 -0.137 0.000 1.028 455 E CA -0.079 56.228 56.400 -0.155 0.000 0.864 455 E CB -0.023 29.591 29.700 -0.144 0.000 0.813 455 E HN 0.303 nan 8.360 nan 0.000 0.514 456 L N 0.941 122.067 121.223 -0.162 0.000 2.483 456 L HA -0.058 4.282 4.340 -0.001 0.000 0.275 456 L C 1.557 178.386 176.870 -0.069 0.000 1.220 456 L CA -0.108 54.660 54.840 -0.121 0.000 0.833 456 L CB 0.805 42.791 42.059 -0.122 0.000 1.102 456 L HN -0.054 nan 8.230 nan 0.000 0.490 457 V N 0.397 120.283 119.914 -0.048 0.000 3.528 457 V HA 0.393 4.513 4.120 -0.001 0.000 0.294 457 V C 0.261 176.346 176.094 -0.014 0.000 1.404 457 V CA -0.064 62.220 62.300 -0.027 0.000 1.065 457 V CB -0.008 31.801 31.823 -0.022 0.000 0.904 457 V HN 0.512 nan 8.190 nan 0.000 0.435 458 L N 1.466 122.684 121.223 -0.009 0.000 2.424 458 L HA 0.607 4.947 4.340 -0.001 0.000 0.258 458 L C -2.710 174.182 176.870 0.036 0.000 0.995 458 L CA -1.886 52.957 54.840 0.004 0.000 0.821 458 L CB 3.315 45.378 42.059 0.007 0.000 1.383 458 L HN -0.080 nan 8.230 nan 0.000 0.410 459 P HA 0.242 nan 4.420 nan 0.000 0.274 459 P C -1.341 176.038 177.300 0.131 0.000 1.237 459 P CA -0.098 63.042 63.100 0.067 0.000 0.793 459 P CB 0.772 32.447 31.700 -0.042 0.000 0.977 460 F N -0.785 119.121 119.950 -0.073 0.000 2.603 460 F HA 0.566 5.093 4.527 -0.001 0.000 0.317 460 F C -1.043 174.728 175.800 -0.049 0.000 1.066 460 F CA -1.890 56.068 58.000 -0.070 0.000 0.941 460 F CB 0.540 39.500 39.000 -0.066 0.000 1.291 460 F HN -0.001 nan 8.300 nan 0.000 0.472 461 L N 3.064 124.199 121.223 -0.147 0.000 2.342 461 L HA 0.465 4.805 4.340 -0.001 0.000 0.285 461 L C 0.444 177.180 176.870 -0.224 0.000 1.095 461 L CA -0.767 53.937 54.840 -0.227 0.000 0.843 461 L CB 0.514 42.452 42.059 -0.202 0.000 1.201 461 L HN 0.910 nan 8.230 nan 0.000 0.445 462 A N 3.466 126.008 122.820 -0.464 0.000 2.655 462 A HA 0.380 4.700 4.320 -0.001 0.000 0.297 462 A C 0.562 178.318 177.584 0.287 0.000 1.461 462 A CA -0.238 51.711 52.037 -0.147 0.000 1.146 462 A CB -0.362 18.517 19.000 -0.201 0.000 1.108 462 A HN 0.703 nan 8.150 nan 0.000 0.550 463 S N 0.890 116.802 115.700 0.353 0.000 2.621 463 S HA 0.577 5.047 4.470 -0.001 0.000 0.302 463 S C 0.510 175.367 174.600 0.429 0.000 1.093 463 S CA -0.016 58.458 58.200 0.457 0.000 1.017 463 S CB 1.659 65.055 63.200 0.326 0.000 1.077 463 S HN 1.383 nan 8.310 nan 0.000 0.517 464 V N -2.246 117.900 119.914 0.386 0.000 3.528 464 V HA 0.475 4.594 4.120 -0.001 0.000 0.294 464 V C -0.107 176.187 176.094 0.334 0.000 1.404 464 V CA 0.392 62.879 62.300 0.311 0.000 1.065 464 V CB -1.617 30.304 31.823 0.162 0.000 0.904 464 V HN 1.073 nan 8.190 nan 0.000 0.435 465 E N -0.160 120.228 120.200 0.313 0.000 2.389 465 E HA 0.556 4.906 4.350 -0.001 0.000 0.281 465 E C -0.798 175.844 176.600 0.071 0.000 1.072 465 E CA -0.186 56.287 56.400 0.122 0.000 0.845 465 E CB 1.292 31.039 29.700 0.078 0.000 1.239 465 E HN 0.341 nan 8.360 nan 0.000 0.434 466 T N -2.055 112.393 114.554 -0.176 0.000 2.804 466 T HA 0.529 4.879 4.350 -0.001 0.000 0.290 466 T C -2.314 172.307 174.700 -0.131 0.000 1.099 466 T CA -1.908 60.127 62.100 -0.108 0.000 1.011 466 T CB 1.479 70.181 68.868 -0.277 0.000 1.291 466 T HN 0.210 nan 8.240 nan 0.000 0.523 467 P HA 0.028 nan 4.420 nan 0.000 0.221 467 P C 0.574 177.690 177.300 -0.307 0.000 1.145 467 P CA 0.919 63.993 63.100 -0.042 0.000 0.795 467 P CB 0.034 31.884 31.700 0.249 0.000 0.775 468 D N -1.857 118.351 120.400 -0.320 0.000 2.339 468 D HA 0.025 4.665 4.640 -0.001 0.000 0.217 468 D C 1.076 177.107 176.300 -0.448 0.000 1.050 468 D CA 0.726 54.481 54.000 -0.408 0.000 0.856 468 D CB 0.104 40.720 40.800 -0.305 0.000 0.922 468 D HN 0.280 nan 8.370 nan 0.000 0.518 469 T N -2.129 112.112 114.554 -0.522 0.000 2.905 469 T HA 0.554 4.904 4.350 -0.001 0.000 0.283 469 T C -2.830 171.669 174.700 -0.335 0.000 1.031 469 T CA -1.899 59.853 62.100 -0.580 0.000 1.002 469 T CB 2.308 70.503 68.868 -1.122 0.000 1.200 469 T HN -0.305 nan 8.240 nan 0.000 0.560 470 P HA 0.284 nan 4.420 nan 0.000 0.274 470 P C -0.372 176.874 177.300 -0.090 0.000 1.237 470 P CA -0.612 62.415 63.100 -0.120 0.000 0.793 470 P CB 0.470 32.141 31.700 -0.049 0.000 0.977 471 R N 1.400 121.860 120.500 -0.067 0.000 2.643 471 R HA 0.074 4.414 4.340 -0.001 0.000 0.270 471 R C 1.350 177.655 176.300 0.009 0.000 1.061 471 R CA -0.428 55.653 56.100 -0.031 0.000 1.107 471 R CB -0.231 30.048 30.300 -0.034 0.000 0.999 471 R HN 0.504 nan 8.270 nan 0.000 0.460 472 I N 2.534 123.129 120.570 0.042 0.000 2.454 472 I HA -0.185 3.985 4.170 -0.001 0.000 0.254 472 I C 1.653 177.792 176.117 0.037 0.000 1.156 472 I CA 1.610 62.946 61.300 0.061 0.000 1.433 472 I CB -0.177 37.875 38.000 0.086 0.000 1.082 472 I HN 0.734 nan 8.210 nan 0.000 0.432 473 A N -0.789 122.046 122.820 0.025 0.000 2.248 473 A HA -0.054 4.266 4.320 -0.001 0.000 0.210 473 A C 1.898 179.481 177.584 -0.001 0.000 1.174 473 A CA 1.485 53.530 52.037 0.013 0.000 0.750 473 A CB -1.240 17.764 19.000 0.007 0.000 0.780 473 A HN 0.585 nan 8.150 nan 0.000 0.478 474 T N -4.117 110.434 114.554 -0.006 0.000 3.040 474 T HA 0.280 4.629 4.350 -0.001 0.000 0.266 474 T C 0.755 175.440 174.700 -0.024 0.000 1.005 474 T CA -0.586 61.503 62.100 -0.018 0.000 0.906 474 T CB 0.250 69.103 68.868 -0.025 0.000 1.082 474 T HN 0.202 nan 8.240 nan 0.000 0.531 475 R N 1.802 122.295 120.500 -0.013 0.000 2.652 475 R HA 0.401 4.740 4.340 -0.001 0.000 0.271 475 R C 0.336 176.597 176.300 -0.065 0.000 1.129 475 R CA -0.557 55.527 56.100 -0.026 0.000 1.200 475 R CB 0.482 30.785 30.300 0.005 0.000 1.146 475 R HN 0.314 nan 8.270 nan 0.000 0.581 476 K N 0.788 121.113 120.400 -0.126 0.000 2.448 476 K HA -0.084 4.236 4.320 -0.001 0.000 0.278 476 K C -0.528 175.936 176.600 -0.226 0.000 1.009 476 K CA 0.415 56.517 56.287 -0.309 0.000 0.995 476 K CB 0.071 32.298 32.500 -0.455 0.000 0.917 476 K HN 0.508 nan 8.250 nan 0.000 0.481 477 Y N 0.448 120.744 120.300 -0.006 0.000 3.825 477 Y HA -0.339 4.210 4.550 -0.002 0.000 0.221 477 Y C 1.219 177.116 175.900 -0.006 0.000 1.195 477 Y CA 0.053 58.149 58.100 -0.006 0.000 1.699 477 Y CB -2.265 36.194 38.460 -0.003 0.000 1.531 477 Y HN 0.761 nan 8.280 nan 0.000 0.640 478 A N 0.492 123.355 122.820 0.071 0.000 1.903 478 A HA -0.339 3.981 4.320 -0.001 0.000 0.219 478 A C 2.261 179.872 177.584 0.046 0.000 1.191 478 A CA 2.680 54.745 52.037 0.047 0.000 0.638 478 A CB -1.059 17.949 19.000 0.013 0.000 0.823 478 A HN 0.959 nan 8.150 nan 0.000 0.451 479 S N -0.887 114.840 115.700 0.044 0.000 2.420 479 S HA -0.190 4.279 4.470 -0.001 0.000 0.237 479 S C 1.748 176.356 174.600 0.014 0.000 1.023 479 S CA 1.598 59.812 58.200 0.023 0.000 0.991 479 S CB -0.163 63.050 63.200 0.021 0.000 0.792 479 S HN 0.547 nan 8.310 nan 0.000 0.488 480 K N 0.158 120.584 120.400 0.043 0.000 2.262 480 K HA 0.340 4.659 4.320 -0.001 0.000 0.200 480 K C 2.034 178.656 176.600 0.036 0.000 1.058 480 K CA 0.415 56.721 56.287 0.031 0.000 0.974 480 K CB -0.424 32.099 32.500 0.038 0.000 0.910 480 K HN 0.349 nan 8.250 nan 0.000 0.484 481 M N 2.051 121.692 119.600 0.067 0.000 2.374 481 M HA -0.102 4.377 4.480 -0.001 0.000 0.264 481 M C 1.825 178.138 176.300 0.023 0.000 1.067 481 M CA 1.318 56.653 55.300 0.058 0.000 1.103 481 M CB -0.797 31.860 32.600 0.095 0.000 1.402 481 M HN 0.158 nan 8.290 nan 0.000 0.444 482 K N -0.043 120.365 120.400 0.014 0.000 2.362 482 K HA -0.122 4.197 4.320 -0.001 0.000 0.200 482 K C 1.389 177.984 176.600 -0.008 0.000 1.046 482 K CA 1.003 57.301 56.287 0.018 0.000 0.952 482 K CB 0.009 32.524 32.500 0.025 0.000 0.753 482 K HN 0.331 nan 8.250 nan 0.000 0.466 483 K N 0.438 120.767 120.400 -0.119 0.000 2.344 483 K HA 0.151 4.470 4.320 -0.001 0.000 0.200 483 K C 2.057 178.453 176.600 -0.339 0.000 1.132 483 K CA 0.040 56.114 56.287 -0.355 0.000 0.935 483 K CB -0.009 31.987 32.500 -0.841 0.000 1.089 483 K HN 0.009 nan 8.250 nan 0.000 0.496 484 L N 1.488 122.560 121.223 -0.251 0.000 2.046 484 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 484 L C 2.403 179.213 176.870 -0.098 0.000 1.077 484 L CA 1.388 56.059 54.840 -0.283 0.000 0.747 484 L CB -0.267 41.809 42.059 0.029 0.000 0.896 484 L HN 0.165 nan 8.230 nan 0.000 0.432 485 A N 0.773 123.574 122.820 -0.032 0.000 1.877 485 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 485 A C -0.148 177.393 177.584 -0.072 0.000 1.186 485 A CA 1.794 53.830 52.037 -0.003 0.000 0.620 485 A CB -1.996 17.023 19.000 0.032 0.000 0.822 485 A HN 0.451 nan 8.150 nan 0.000 0.443 486 P HA -0.128 nan 4.420 nan 0.000 0.219 486 P C 1.533 178.591 177.300 -0.403 0.000 1.150 486 P CA 0.927 63.696 63.100 -0.552 0.000 0.814 486 P CB -0.220 31.172 31.700 -0.514 0.000 0.787 487 F N 1.647 121.502 119.950 -0.158 0.000 2.069 487 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 487 F C 2.060 177.963 175.800 0.172 0.000 1.113 487 F CA 1.449 59.473 58.000 0.041 0.000 1.214 487 F CB -1.178 37.664 39.000 -0.263 0.000 0.978 487 F HN -0.319 nan 8.300 nan 0.000 0.474 488 V N -0.007 119.821 119.914 -0.143 0.000 2.343 488 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 488 V C 2.321 178.478 176.094 0.105 0.000 1.051 488 V CA 2.405 64.653 62.300 -0.086 0.000 1.036 488 V CB -1.143 30.719 31.823 0.065 0.000 0.654 488 V HN 0.466 nan 8.190 nan 0.000 0.451 489 T N -1.159 113.436 114.554 0.069 0.000 2.770 489 T HA -0.148 4.202 4.350 -0.001 0.000 0.263 489 T C 1.751 176.619 174.700 0.280 0.000 1.039 489 T CA 1.473 63.669 62.100 0.159 0.000 1.142 489 T CB -0.416 68.518 68.868 0.109 0.000 0.868 489 T HN 0.516 nan 8.240 nan 0.000 0.435 490 Y N -0.414 119.946 120.300 0.100 0.000 2.483 490 Y HA -0.008 4.542 4.550 0.000 0.000 0.291 490 Y C 1.586 177.438 175.900 -0.080 0.000 1.143 490 Y CA 0.157 58.245 58.100 -0.021 0.000 1.289 490 Y CB -0.304 38.106 38.460 -0.083 0.000 0.983 490 Y HN 0.191 nan 8.280 nan 0.000 0.556 491 F N -0.291 119.796 119.950 0.229 0.000 2.727 491 F HA 0.148 4.675 4.527 -0.001 0.000 0.302 491 F C 0.724 176.803 175.800 0.465 0.000 1.097 491 F CA -0.249 57.914 58.000 0.271 0.000 1.330 491 F CB 0.119 39.199 39.000 0.133 0.000 1.084 491 F HN -0.156 nan 8.300 nan 0.000 0.578 492 L N 1.292 122.802 121.223 0.477 0.000 2.473 492 L HA 0.124 4.464 4.340 -0.001 0.000 0.268 492 L C -2.063 174.998 176.870 0.319 0.000 1.215 492 L CA -1.891 53.135 54.840 0.309 0.000 0.823 492 L CB -0.097 42.105 42.059 0.238 0.000 1.099 492 L HN -0.203 nan 8.230 nan 0.000 0.483 493 P HA 0.111 nan 4.420 nan 0.000 0.275 493 P C -0.455 176.936 177.300 0.151 0.000 1.227 493 P CA -0.043 63.149 63.100 0.155 0.000 0.781 493 P CB 0.444 32.042 31.700 -0.169 0.000 0.906 494 N N -1.597 117.174 118.700 0.117 0.000 2.800 494 N HA -0.129 4.610 4.740 -0.001 0.000 0.250 494 N C -0.333 175.242 175.510 0.109 0.000 1.078 494 N CA 1.162 54.288 53.050 0.127 0.000 0.804 494 N CB -1.785 36.799 38.487 0.163 0.000 1.135 494 N HN 0.605 nan 8.380 nan 0.000 0.565 495 S N 0.140 115.830 115.700 -0.016 0.000 2.586 495 S HA 0.701 5.171 4.470 -0.001 0.000 0.274 495 S C 0.314 174.725 174.600 -0.315 0.000 1.281 495 S CA -0.605 57.365 58.200 -0.383 0.000 1.035 495 S CB 1.791 64.869 63.200 -0.203 0.000 0.962 495 S HN 0.231 nan 8.310 nan 0.000 0.512 496 I N 2.472 122.783 120.570 -0.432 0.000 2.495 496 I HA 0.329 4.498 4.170 -0.001 0.000 0.277 496 I C -2.635 173.332 176.117 -0.251 0.000 1.045 496 I CA -2.427 58.717 61.300 -0.260 0.000 1.135 496 I CB 1.751 39.619 38.000 -0.219 0.000 1.241 496 I HN 0.410 nan 8.210 nan 0.000 0.469 497 P HA -0.125 nan 4.420 nan 0.000 0.261 497 P C -1.347 175.780 177.300 -0.289 0.000 1.173 497 P CA 0.551 63.361 63.100 -0.483 0.000 0.760 497 P CB 0.123 31.367 31.700 -0.761 0.000 0.783 498 Y N 3.982 124.117 120.300 -0.275 0.000 2.350 498 Y HA 0.493 5.042 4.550 -0.001 0.000 0.338 498 Y C -1.144 174.782 175.900 0.044 0.000 0.961 498 Y CA -0.860 57.194 58.100 -0.075 0.000 1.100 498 Y CB 1.374 39.834 38.460 -0.000 0.000 1.179 498 Y HN 0.046 nan 8.280 nan 0.000 0.454 499 V N 7.134 126.736 119.914 -0.521 0.000 2.357 499 V HA 0.243 4.363 4.120 -0.001 0.000 0.284 499 V C -0.216 175.488 176.094 -0.651 0.000 1.018 499 V CA -0.957 61.183 62.300 -0.267 0.000 0.841 499 V CB 1.268 33.101 31.823 0.017 0.000 0.991 499 V HN 0.855 nan 8.190 nan 0.000 0.437 500 N N 2.425 120.917 118.700 -0.346 0.000 2.514 500 N HA 0.093 4.832 4.740 -0.001 0.000 0.277 500 N C 0.126 175.478 175.510 -0.262 0.000 1.126 500 N CA -0.234 52.666 53.050 -0.251 0.000 0.978 500 N CB 1.113 39.660 38.487 0.101 0.000 1.106 500 N HN 0.676 nan 8.380 nan 0.000 0.461 501 T N 2.191 116.504 114.554 -0.401 0.000 2.831 501 T HA 0.209 4.558 4.350 -0.001 0.000 0.291 501 T C 1.195 175.874 174.700 -0.035 0.000 0.981 501 T CA 1.392 63.337 62.100 -0.258 0.000 1.174 501 T CB -0.396 68.373 68.868 -0.165 0.000 0.929 501 T HN 0.793 nan 8.240 nan 0.000 0.532 502 G N 3.761 112.580 108.800 0.031 0.000 2.279 502 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.223 502 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.223 502 G C 0.932 175.832 174.900 0.000 0.000 1.015 502 G CA 0.850 45.914 45.100 -0.061 0.000 0.621 502 G HN 0.748 nan 8.290 nan 0.000 0.506 503 Q N 0.803 120.630 119.800 0.045 0.000 2.096 503 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 503 Q C 2.479 178.549 176.000 0.117 0.000 0.982 503 Q CA 2.199 58.049 55.803 0.079 0.000 0.850 503 Q CB -0.261 28.537 28.738 0.101 0.000 0.901 503 Q HN 0.748 nan 8.270 nan 0.000 0.422 504 E N 0.959 121.259 120.200 0.166 0.000 2.267 504 E HA -0.196 4.154 4.350 -0.001 0.000 0.197 504 E C 1.511 178.214 176.600 0.172 0.000 0.998 504 E CA 1.431 57.950 56.400 0.199 0.000 0.830 504 E CB -0.454 29.403 29.700 0.262 0.000 0.751 504 E HN 0.748 nan 8.360 nan 0.000 0.491 505 I N -3.432 117.198 120.570 0.099 0.000 3.877 505 I HA 0.522 4.692 4.170 -0.001 0.000 0.332 505 I C 0.904 177.039 176.117 0.029 0.000 1.525 505 I CA -0.117 61.219 61.300 0.060 0.000 1.146 505 I CB 0.466 38.442 38.000 -0.039 0.000 1.137 505 I HN 0.003 nan 8.210 nan 0.000 0.424 506 G N 1.921 110.749 108.800 0.046 0.000 2.273 506 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.280 506 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.280 506 G C -0.006 174.889 174.900 -0.008 0.000 1.047 506 G CA 0.550 45.667 45.100 0.028 0.000 0.869 506 G HN 0.675 nan 8.290 nan 0.000 0.502 507 E N -0.272 119.918 120.200 -0.016 0.000 2.414 507 E HA 0.381 4.730 4.350 -0.001 0.000 0.263 507 E C 1.500 178.083 176.600 -0.029 0.000 1.000 507 E CA 0.371 56.756 56.400 -0.024 0.000 0.914 507 E CB 0.411 30.106 29.700 -0.008 0.000 0.948 507 E HN 0.448 nan 8.360 nan 0.000 0.444 508 K N 2.551 122.922 120.400 -0.048 0.000 2.240 508 K HA 0.004 4.324 4.320 -0.001 0.000 0.202 508 K C 0.230 176.803 176.600 -0.045 0.000 1.053 508 K CA -0.026 56.234 56.287 -0.045 0.000 0.973 508 K CB 0.154 32.621 32.500 -0.055 0.000 0.924 508 K HN 0.429 nan 8.250 nan 0.000 0.477 509 Q N 3.127 122.911 119.800 -0.027 0.000 2.274 509 Q HA 0.021 4.360 4.340 -0.001 0.000 0.280 509 Q C -2.404 173.502 176.000 -0.157 0.000 1.047 509 Q CA -1.465 54.301 55.803 -0.060 0.000 0.907 509 Q CB 0.587 29.340 28.738 0.025 0.000 1.171 509 Q HN -0.013 nan 8.270 nan 0.000 0.381 510 P HA 0.007 nan 4.420 nan 0.000 0.274 510 P C -0.316 176.801 177.300 -0.306 0.000 1.237 510 P CA 0.013 62.985 63.100 -0.213 0.000 0.793 510 P CB 0.838 32.427 31.700 -0.185 0.000 0.977 511 M N -0.014 119.393 119.600 -0.321 0.000 2.435 511 M HA 0.055 4.535 4.480 -0.001 0.000 0.265 511 M C 0.675 176.683 176.300 -0.486 0.000 1.104 511 M CA 1.147 56.237 55.300 -0.351 0.000 1.140 511 M CB -0.187 32.285 32.600 -0.213 0.000 1.372 511 M HN 0.437 nan 8.290 nan 0.000 0.456 512 N N -0.588 117.779 118.700 -0.556 0.000 2.504 512 N HA 0.285 5.025 4.740 -0.001 0.000 0.268 512 N C -1.280 174.034 175.510 -0.326 0.000 1.184 512 N CA -0.428 52.273 53.050 -0.581 0.000 0.875 512 N CB 1.378 39.077 38.487 -1.314 0.000 1.630 512 N HN 0.013 nan 8.380 nan 0.000 0.486 513 L N 2.015 123.146 121.223 -0.153 0.000 2.928 513 L HA 0.380 4.719 4.340 -0.001 0.000 0.236 513 L C 1.727 178.537 176.870 -0.100 0.000 1.290 513 L CA -0.173 54.601 54.840 -0.110 0.000 1.099 513 L CB -0.384 41.647 42.059 -0.048 0.000 1.437 513 L HN 0.760 nan 8.230 nan 0.000 0.493 514 G N 0.752 109.453 108.800 -0.166 0.000 2.616 514 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.215 514 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.215 514 G C 0.686 175.535 174.900 -0.085 0.000 1.284 514 G CA 0.105 45.130 45.100 -0.126 0.000 0.823 514 G HN 0.168 nan 8.290 nan 0.000 0.569 515 L N 0.269 121.414 121.223 -0.130 0.000 2.312 515 L HA 0.303 4.642 4.340 -0.001 0.000 0.281 515 L C 0.416 177.273 176.870 -0.023 0.000 1.070 515 L CA -0.291 54.518 54.840 -0.052 0.000 0.805 515 L CB 1.522 43.544 42.059 -0.061 0.000 1.174 515 L HN 0.374 nan 8.230 nan 0.000 0.434 516 D N 0.976 121.452 120.400 0.127 0.000 2.733 516 D HA -0.178 4.462 4.640 -0.001 0.000 0.232 516 D C -0.307 176.047 176.300 0.090 0.000 1.161 516 D CA 0.995 55.115 54.000 0.200 0.000 0.653 516 D CB -0.354 40.767 40.800 0.535 0.000 1.052 516 D HN 0.638 nan 8.370 nan 0.000 0.424 517 T N 0.324 114.888 114.554 0.016 0.000 2.918 517 T HA 0.461 4.810 4.350 -0.001 0.000 0.286 517 T C -0.442 174.254 174.700 -0.007 0.000 1.026 517 T CA -0.764 61.325 62.100 -0.018 0.000 1.031 517 T CB 1.821 70.645 68.868 -0.074 0.000 1.046 517 T HN 0.180 nan 8.240 nan 0.000 0.479 518 D N 1.396 121.788 120.400 -0.014 0.000 2.308 518 D HA 0.418 5.057 4.640 -0.001 0.000 0.242 518 D C -1.760 174.526 176.300 -0.022 0.000 1.059 518 D CA -2.440 51.554 54.000 -0.011 0.000 0.830 518 D CB 1.752 42.548 40.800 -0.006 0.000 1.161 518 D HN 0.022 nan 8.370 nan 0.000 0.494 519 P HA -0.142 nan 4.420 nan 0.000 0.218 519 P C 0.722 178.006 177.300 -0.026 0.000 1.146 519 P CA 0.770 63.855 63.100 -0.025 0.000 0.820 519 P CB 0.196 31.886 31.700 -0.017 0.000 0.778 520 N N -0.911 117.779 118.700 -0.016 0.000 2.453 520 N HA -0.042 4.697 4.740 -0.001 0.000 0.183 520 N C 1.571 177.071 175.510 -0.017 0.000 1.041 520 N CA 0.687 53.732 53.050 -0.009 0.000 0.900 520 N CB -0.493 37.993 38.487 -0.000 0.000 0.961 520 N HN 0.264 nan 8.380 nan 0.000 0.443 521 L N 0.481 121.685 121.223 -0.032 0.000 2.191 521 L HA -0.056 4.283 4.340 -0.001 0.000 0.212 521 L C 2.415 179.247 176.870 -0.064 0.000 1.103 521 L CA 0.591 55.405 54.840 -0.043 0.000 0.769 521 L CB -0.219 41.807 42.059 -0.056 0.000 0.908 521 L HN 0.086 nan 8.230 nan 0.000 0.438 522 R N 1.382 121.834 120.500 -0.081 0.000 2.249 522 R HA -0.162 4.178 4.340 -0.001 0.000 0.230 522 R C 1.107 177.278 176.300 -0.216 0.000 1.121 522 R CA 1.165 57.182 56.100 -0.138 0.000 0.997 522 R CB 0.104 30.331 30.300 -0.122 0.000 0.867 522 R HN 0.427 nan 8.270 nan 0.000 0.465 523 K N -0.353 119.990 120.400 -0.094 0.000 2.618 523 K HA 0.091 4.411 4.320 -0.001 0.000 0.207 523 K C 1.108 177.801 176.600 0.157 0.000 1.058 523 K CA 0.165 56.462 56.287 0.018 0.000 1.086 523 K CB 1.075 33.689 32.500 0.189 0.000 0.827 523 K HN 0.029 nan 8.250 nan 0.000 0.481 524 V N -1.705 118.250 119.914 0.068 0.000 2.809 524 V HA 0.058 4.177 4.120 -0.001 0.000 0.256 524 V C 0.922 177.094 176.094 0.129 0.000 1.080 524 V CA 0.414 62.760 62.300 0.076 0.000 1.102 524 V CB -0.679 31.155 31.823 0.019 0.000 0.705 524 V HN 0.235 nan 8.190 nan 0.000 0.475 525 L N 1.032 122.384 121.223 0.215 0.000 2.468 525 L HA 0.386 4.725 4.340 -0.001 0.000 0.254 525 L C 0.886 177.965 176.870 0.349 0.000 1.171 525 L CA 0.119 55.123 54.840 0.273 0.000 0.809 525 L CB 0.969 43.243 42.059 0.358 0.000 1.155 525 L HN 0.235 nan 8.230 nan 0.000 0.473 526 S N 1.471 117.287 115.700 0.193 0.000 2.562 526 S HA 0.153 4.623 4.470 -0.001 0.000 0.281 526 S C -1.330 173.195 174.600 -0.124 0.000 1.333 526 S CA -1.172 57.052 58.200 0.041 0.000 1.052 526 S CB 0.740 63.952 63.200 0.020 0.000 0.884 526 S HN 0.448 nan 8.310 nan 0.000 0.506 527 P HA -0.068 nan 4.420 nan 0.000 0.225 527 P C 1.038 178.122 177.300 -0.360 0.000 1.148 527 P CA 1.132 63.690 63.100 -0.904 0.000 0.779 527 P CB -0.474 30.814 31.700 -0.687 0.000 0.780 528 T N -5.155 109.301 114.554 -0.162 0.000 3.081 528 T HA 0.030 4.379 4.350 -0.001 0.000 0.250 528 T C 0.734 175.436 174.700 0.004 0.000 1.100 528 T CA -0.239 61.824 62.100 -0.061 0.000 1.038 528 T CB -0.494 68.349 68.868 -0.042 0.000 0.962 528 T HN -0.029 nan 8.240 nan 0.000 0.516 529 D N 2.284 122.720 120.400 0.061 0.000 2.383 529 D HA 0.010 4.650 4.640 -0.001 0.000 0.252 529 D C 1.150 177.508 176.300 0.097 0.000 1.166 529 D CA 0.016 54.095 54.000 0.132 0.000 0.879 529 D CB 1.185 42.150 40.800 0.274 0.000 1.164 529 D HN 0.472 nan 8.370 nan 0.000 0.462 530 E N 3.008 123.177 120.200 -0.052 0.000 2.147 530 E HA -0.249 4.101 4.350 -0.001 0.000 0.199 530 E C 0.610 176.956 176.600 -0.423 0.000 1.005 530 E CA 1.303 57.553 56.400 -0.250 0.000 0.810 530 E CB -0.054 29.321 29.700 -0.542 0.000 0.736 530 E HN 0.515 nan 8.360 nan 0.000 0.460 531 F N 0.109 120.105 119.950 0.078 0.000 2.660 531 F HA 0.187 4.714 4.527 -0.001 0.000 0.297 531 F C 0.269 176.213 175.800 0.240 0.000 1.132 531 F CA -0.719 57.345 58.000 0.106 0.000 1.372 531 F CB -0.006 38.917 39.000 -0.127 0.000 1.003 531 F HN -0.048 nan 8.300 nan 0.000 0.524 532 F N 1.337 121.390 119.950 0.172 0.000 2.623 532 F HA 0.331 4.857 4.527 -0.001 0.000 0.383 532 F C 1.324 177.214 175.800 0.149 0.000 1.077 532 F CA 0.767 58.861 58.000 0.157 0.000 1.268 532 F CB 0.369 39.422 39.000 0.089 0.000 1.053 532 F HN 0.312 nan 8.300 nan 0.000 0.571 533 G N 3.741 112.073 108.800 -0.780 0.000 2.245 533 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.264 533 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.264 533 G C 0.305 175.107 174.900 -0.163 0.000 0.985 533 G CA 0.259 45.000 45.100 -0.599 0.000 0.625 533 G HN 0.604 nan 8.290 nan 0.000 0.536 534 K N 0.350 120.770 120.400 0.033 0.000 2.218 534 K HA 0.583 4.903 4.320 -0.001 0.000 0.276 534 K C 0.377 176.988 176.600 0.019 0.000 1.022 534 K CA -0.278 56.090 56.287 0.135 0.000 0.946 534 K CB 1.225 33.951 32.500 0.376 0.000 1.000 534 K HN 0.318 nan 8.250 nan 0.000 0.468 535 L N 2.272 123.509 121.223 0.024 0.000 2.294 535 L HA 0.239 4.579 4.340 -0.001 0.000 0.283 535 L C 1.379 178.205 176.870 -0.073 0.000 1.015 535 L CA -0.608 54.186 54.840 -0.077 0.000 0.831 535 L CB 1.622 43.722 42.059 0.068 0.000 1.217 535 L HN 0.731 nan 8.230 nan 0.000 0.420 536 A N 3.154 125.849 122.820 -0.209 0.000 2.009 536 A HA -0.241 4.079 4.320 -0.001 0.000 0.222 536 A C 1.807 179.388 177.584 -0.006 0.000 1.175 536 A CA 1.876 53.879 52.037 -0.057 0.000 0.651 536 A CB -0.500 18.456 19.000 -0.073 0.000 0.815 536 A HN 0.670 nan 8.150 nan 0.000 0.459 537 F N -1.585 118.078 119.950 -0.478 0.000 2.269 537 F HA -0.023 4.504 4.527 0.000 0.000 0.301 537 F C 1.400 176.707 175.800 -0.822 0.000 1.082 537 F CA 0.968 58.497 58.000 -0.784 0.000 1.360 537 F CB -0.425 37.750 39.000 -1.374 0.000 1.041 537 F HN 0.324 nan 8.300 nan 0.000 0.512 538 F N -2.272 117.784 119.950 0.176 0.000 2.746 538 F HA 0.274 4.800 4.527 -0.001 0.000 0.320 538 F C -0.034 175.775 175.800 0.015 0.000 1.097 538 F CA -0.460 57.591 58.000 0.085 0.000 1.195 538 F CB 0.447 39.498 39.000 0.084 0.000 1.056 538 F HN -0.333 nan 8.300 nan 0.000 0.562 539 D N -1.232 119.239 120.400 0.117 0.000 2.602 539 D HA 0.172 4.812 4.640 -0.001 0.000 0.236 539 D C -0.927 175.404 176.300 0.053 0.000 1.209 539 D CA -0.600 53.415 54.000 0.025 0.000 0.831 539 D CB 1.413 42.279 40.800 0.110 0.000 1.478 539 D HN 0.109 nan 8.370 nan 0.000 0.438 540 H N 0.427 119.579 119.070 0.138 0.000 2.886 540 H HA 0.196 4.751 4.556 -0.001 0.000 0.329 540 H C -0.861 174.479 175.328 0.020 0.000 1.044 540 H CA 0.370 56.430 56.048 0.020 0.000 1.456 540 H CB 0.521 30.307 29.762 0.039 0.000 1.464 540 H HN 0.244 nan 8.280 nan 0.000 0.573 541 Y N 2.544 122.683 120.300 -0.269 0.000 2.441 541 Y HA 0.346 4.896 4.550 -0.001 0.000 0.334 541 Y C -1.653 173.733 175.900 -0.858 0.000 1.061 541 Y CA -0.849 56.870 58.100 -0.636 0.000 1.032 541 Y CB 1.242 39.535 38.460 -0.278 0.000 1.266 541 Y HN 0.393 nan 8.280 nan 0.000 0.441 542 V N 7.127 125.804 119.914 -2.062 0.000 2.384 542 V HA 0.375 4.495 4.120 -0.001 0.000 0.287 542 V C 0.016 175.466 176.094 -1.074 0.000 1.020 542 V CA -0.920 60.690 62.300 -1.149 0.000 0.850 542 V CB 1.317 32.573 31.823 -0.946 0.000 0.987 542 V HN 0.704 nan 8.190 nan 0.000 0.436 543 L N 3.726 124.709 121.223 -0.399 0.000 2.482 543 L HA 0.169 4.509 4.340 -0.001 0.000 0.273 543 L C 0.420 177.035 176.870 -0.424 0.000 1.228 543 L CA -0.242 54.414 54.840 -0.306 0.000 0.827 543 L CB -0.028 41.761 42.059 -0.449 0.000 1.099 543 L HN 0.673 nan 8.230 nan 0.000 0.494 544 H N 0.340 119.235 119.070 -0.291 0.000 2.966 544 H HA 0.031 4.587 4.556 -0.000 0.000 0.217 544 H C 0.207 175.462 175.328 -0.122 0.000 1.906 544 H CA -0.079 55.876 56.048 -0.155 0.000 1.351 544 H CB -0.499 29.219 29.762 -0.073 0.000 1.722 544 H HN 0.505 nan 8.280 nan 0.000 0.562 545 W N 0.266 121.552 121.300 -0.024 0.000 2.392 545 W HA -0.125 4.535 4.660 0.000 0.000 0.279 545 W C 1.176 177.639 176.519 -0.094 0.000 1.225 545 W CA 0.517 57.805 57.345 -0.094 0.000 1.233 545 W CB 0.255 29.545 29.460 -0.285 0.000 1.122 545 W HN 0.388 nan 8.180 nan 0.000 0.561 546 D N -0.699 119.799 120.400 0.164 0.000 2.347 546 D HA -0.041 4.599 4.640 -0.001 0.000 0.215 546 D C 0.867 177.214 176.300 0.078 0.000 0.976 546 D CA 1.199 55.249 54.000 0.083 0.000 0.884 546 D CB -0.127 40.712 40.800 0.064 0.000 0.915 546 D HN 0.139 nan 8.370 nan 0.000 0.526 547 S N 0.318 116.080 115.700 0.103 0.000 2.407 547 S HA 0.303 4.773 4.470 -0.001 0.000 0.166 547 S C -2.556 172.090 174.600 0.077 0.000 1.445 547 S CA -1.075 57.177 58.200 0.086 0.000 1.260 547 S CB 1.534 64.791 63.200 0.095 0.000 1.401 547 S HN -0.122 nan 8.310 nan 0.000 0.379 548 P HA 0.309 nan 4.420 nan 0.000 0.276 548 P C -0.978 176.358 177.300 0.060 0.000 1.252 548 P CA -0.086 63.052 63.100 0.064 0.000 0.802 548 P CB 0.752 32.512 31.700 0.099 0.000 1.035 549 D N 1.342 121.775 120.400 0.055 0.000 2.453 549 D HA 0.075 4.715 4.640 -0.001 0.000 0.223 549 D C 1.175 177.527 176.300 0.085 0.000 1.183 549 D CA -0.171 53.862 54.000 0.056 0.000 0.933 549 D CB 0.204 41.032 40.800 0.046 0.000 1.038 549 D HN 0.200 nan 8.370 nan 0.000 0.513 550 R N 1.770 122.321 120.500 0.085 0.000 2.152 550 R HA -0.043 4.297 4.340 -0.001 0.000 0.232 550 R C 2.084 178.450 176.300 0.109 0.000 1.117 550 R CA 1.059 57.221 56.100 0.102 0.000 0.981 550 R CB -0.003 30.350 30.300 0.089 0.000 0.870 550 R HN 0.382 nan 8.270 nan 0.000 0.451 551 G N 0.539 109.393 108.800 0.090 0.000 2.422 551 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.218 551 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.218 551 G C 1.432 176.419 174.900 0.145 0.000 1.146 551 G CA 0.576 45.733 45.100 0.096 0.000 0.769 551 G HN 0.127 nan 8.290 nan 0.000 0.547 552 V N 0.556 120.553 119.914 0.138 0.000 2.379 552 V HA -0.064 4.055 4.120 -0.001 0.000 0.245 552 V C 2.623 178.856 176.094 0.231 0.000 1.044 552 V CA 1.375 63.789 62.300 0.190 0.000 1.036 552 V CB -0.319 31.589 31.823 0.141 0.000 0.664 552 V HN 0.347 nan 8.190 nan 0.000 0.453 553 L N 1.141 122.473 121.223 0.183 0.000 2.013 553 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 553 L C 2.125 179.091 176.870 0.160 0.000 1.073 553 L CA 2.583 57.529 54.840 0.176 0.000 0.753 553 L CB -1.038 41.132 42.059 0.184 0.000 0.890 553 L HN 0.422 nan 8.230 nan 0.000 0.432 554 N N -1.300 117.503 118.700 0.171 0.000 2.142 554 N HA -0.262 4.477 4.740 -0.001 0.000 0.186 554 N C 1.829 177.466 175.510 0.212 0.000 1.023 554 N CA 1.637 54.785 53.050 0.162 0.000 0.852 554 N CB -0.448 38.130 38.487 0.152 0.000 0.998 554 N HN 0.431 nan 8.380 nan 0.000 0.424 555 F N 0.941 120.972 119.950 0.135 0.000 2.134 555 F HA -0.100 4.427 4.527 0.000 0.000 0.299 555 F C 1.894 177.834 175.800 0.234 0.000 1.097 555 F CA 1.109 59.224 58.000 0.192 0.000 1.264 555 F CB -0.209 38.891 39.000 0.167 0.000 1.001 555 F HN 0.036 nan 8.300 nan 0.000 0.479 556 I N 0.816 121.504 120.570 0.195 0.000 2.163 556 I HA -0.300 3.870 4.170 -0.001 0.000 0.243 556 I C 2.267 178.379 176.117 -0.009 0.000 1.085 556 I CA 1.538 62.900 61.300 0.103 0.000 1.347 556 I CB -1.392 36.719 38.000 0.186 0.000 1.044 556 I HN 0.232 nan 8.210 nan 0.000 0.408 557 K N 0.841 121.243 120.400 0.002 0.000 2.032 557 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 557 K C 2.099 178.672 176.600 -0.044 0.000 1.048 557 K CA 1.451 57.713 56.287 -0.040 0.000 0.927 557 K CB -0.158 32.329 32.500 -0.022 0.000 0.712 557 K HN 0.329 nan 8.250 nan 0.000 0.441 558 K N 0.624 121.023 120.400 -0.002 0.000 2.097 558 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 558 K C 2.112 178.641 176.600 -0.119 0.000 1.050 558 K CA 0.735 57.047 56.287 0.042 0.000 0.938 558 K CB -0.139 32.509 32.500 0.247 0.000 0.718 558 K HN 0.021 nan 8.250 nan 0.000 0.442 559 L N 1.415 122.499 121.223 -0.232 0.000 2.017 559 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 559 L C 1.894 178.637 176.870 -0.211 0.000 1.073 559 L CA 1.593 56.243 54.840 -0.317 0.000 0.745 559 L CB -0.321 41.548 42.059 -0.316 0.000 0.894 559 L HN 0.076 nan 8.230 nan 0.000 0.432 560 I N 0.081 120.557 120.570 -0.156 0.000 2.226 560 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 560 I C 2.526 178.518 176.117 -0.208 0.000 1.100 560 I CA 1.421 62.591 61.300 -0.217 0.000 1.374 560 I CB -1.188 36.657 38.000 -0.259 0.000 1.057 560 I HN 0.476 nan 8.210 nan 0.000 0.413 561 K N 0.862 121.171 120.400 -0.151 0.000 2.057 561 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 561 K C 2.112 178.694 176.600 -0.030 0.000 1.049 561 K CA 1.287 57.530 56.287 -0.074 0.000 0.931 561 K CB 0.145 32.624 32.500 -0.034 0.000 0.714 561 K HN 0.111 nan 8.250 nan 0.000 0.440 562 V N 1.744 121.575 119.914 -0.140 0.000 2.427 562 V HA -0.181 3.939 4.120 -0.001 0.000 0.248 562 V C 2.586 178.784 176.094 0.172 0.000 1.051 562 V CA 1.528 63.781 62.300 -0.079 0.000 1.048 562 V CB -0.600 30.788 31.823 -0.725 0.000 0.666 562 V HN 0.377 nan 8.190 nan 0.000 0.456 563 R N -0.328 120.157 120.500 -0.025 0.000 2.096 563 R HA -0.191 4.149 4.340 -0.001 0.000 0.235 563 R C 2.245 178.586 176.300 0.068 0.000 1.127 563 R CA 1.835 57.814 56.100 -0.202 0.000 0.968 563 R CB -0.473 29.486 30.300 -0.569 0.000 0.861 563 R HN 0.546 nan 8.270 nan 0.000 0.440 564 H N 0.198 119.214 119.070 -0.089 0.000 2.428 564 H HA -0.011 4.544 4.556 -0.001 0.000 0.296 564 H C 1.789 177.103 175.328 -0.024 0.000 1.062 564 H CA 1.435 57.447 56.048 -0.060 0.000 1.350 564 H CB -0.023 29.692 29.762 -0.077 0.000 1.403 564 H HN 0.401 nan 8.280 nan 0.000 0.533 565 E N -0.294 119.954 120.200 0.079 0.000 2.209 565 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 565 E C 0.229 176.639 176.600 -0.317 0.000 0.993 565 E CA 0.961 57.289 56.400 -0.120 0.000 0.819 565 E CB -0.013 29.617 29.700 -0.116 0.000 0.745 565 E HN 0.397 nan 8.360 nan 0.000 0.477 566 F N -0.198 119.855 119.950 0.172 0.000 2.668 566 F HA 0.160 4.687 4.527 -0.000 0.000 0.301 566 F C 1.138 177.076 175.800 0.230 0.000 1.106 566 F CA -0.473 57.697 58.000 0.283 0.000 1.289 566 F CB 0.436 39.616 39.000 0.301 0.000 1.006 566 F HN 0.047 nan 8.300 nan 0.000 0.535 567 L N 0.805 122.103 121.223 0.124 0.000 2.081 567 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 567 L C 2.022 178.882 176.870 -0.015 0.000 1.080 567 L CA 2.050 56.870 54.840 -0.034 0.000 0.754 567 L CB -0.631 41.271 42.059 -0.261 0.000 0.893 567 L HN 0.172 nan 8.230 nan 0.000 0.433 568 D N -1.470 118.932 120.400 0.004 0.000 2.178 568 D HA -0.237 4.403 4.640 -0.001 0.000 0.201 568 D C 1.919 178.147 176.300 -0.120 0.000 0.980 568 D CA 1.375 55.324 54.000 -0.085 0.000 0.842 568 D CB -0.160 40.553 40.800 -0.146 0.000 0.948 568 D HN 0.420 nan 8.370 nan 0.000 0.472 569 F N -0.142 119.804 119.950 -0.006 0.000 2.084 569 F HA -0.108 4.419 4.527 -0.000 0.000 0.296 569 F C 2.585 178.138 175.800 -0.412 0.000 1.111 569 F CA 0.724 58.696 58.000 -0.047 0.000 1.224 569 F CB -0.744 38.321 39.000 0.109 0.000 0.991 569 F HN -0.128 nan 8.300 nan 0.000 0.471 570 V N 0.559 120.279 119.914 -0.323 0.000 2.282 570 V HA -0.320 3.800 4.120 -0.001 0.000 0.249 570 V C 2.308 178.231 176.094 -0.285 0.000 1.057 570 V CA 1.907 63.828 62.300 -0.632 0.000 1.032 570 V CB -0.766 30.942 31.823 -0.191 0.000 0.645 570 V HN 0.318 nan 8.190 nan 0.000 0.447 571 L N -0.056 121.082 121.223 -0.142 0.000 2.072 571 L HA -0.034 4.305 4.340 -0.001 0.000 0.205 571 L C 1.866 178.713 176.870 -0.038 0.000 1.079 571 L CA 1.386 56.181 54.840 -0.074 0.000 0.752 571 L CB -0.389 41.624 42.059 -0.077 0.000 0.906 571 L HN 0.421 nan 8.230 nan 0.000 0.436 572 N N -0.736 117.933 118.700 -0.052 0.000 2.166 572 N HA 0.102 4.841 4.740 -0.001 0.000 0.213 572 N C 0.806 176.328 175.510 0.020 0.000 1.222 572 N CA 0.286 53.324 53.050 -0.021 0.000 0.900 572 N CB 0.781 39.233 38.487 -0.058 0.000 1.055 572 N HN 0.144 nan 8.380 nan 0.000 0.515 573 G N 1.542 110.374 108.800 0.052 0.000 2.634 573 G HA2 0.175 4.135 3.960 -0.001 0.000 0.255 573 G HA3 0.175 4.135 3.960 -0.001 0.000 0.255 573 G C 0.061 175.151 174.900 0.317 0.000 1.205 573 G CA -0.369 44.842 45.100 0.185 0.000 0.884 573 G HN 0.197 nan 8.290 nan 0.000 0.549 574 K N -0.494 120.086 120.400 0.300 0.000 2.234 574 K HA 0.440 4.760 4.320 -0.001 0.000 0.282 574 K C -0.971 175.839 176.600 0.350 0.000 1.039 574 K CA -0.681 55.770 56.287 0.273 0.000 0.928 574 K CB 1.447 34.046 32.500 0.165 0.000 1.039 574 K HN 0.264 nan 8.250 nan 0.000 0.470 575 F N 2.091 122.152 119.950 0.185 0.000 2.385 575 F HA 0.259 4.785 4.527 -0.001 0.000 0.336 575 F C -0.435 175.361 175.800 -0.008 0.000 1.100 575 F CA -0.317 57.706 58.000 0.039 0.000 1.116 575 F CB 1.371 40.393 39.000 0.037 0.000 1.166 575 F HN 0.810 nan 8.300 nan 0.000 0.511 576 E N 5.103 124.689 120.200 -1.024 0.000 2.274 576 E HA 0.173 4.522 4.350 -0.001 0.000 0.269 576 E C -1.688 174.297 176.600 -1.024 0.000 0.891 576 E CA -0.743 55.203 56.400 -0.756 0.000 0.784 576 E CB 1.113 30.619 29.700 -0.324 0.000 1.225 576 E HN 0.852 nan 8.360 nan 0.000 0.412 577 N N 4.413 122.687 118.700 -0.710 0.000 2.488 577 N HA 0.202 4.941 4.740 -0.001 0.000 0.274 577 N C 0.114 175.527 175.510 -0.162 0.000 1.111 577 N CA -0.048 52.801 53.050 -0.335 0.000 0.974 577 N CB 0.605 39.089 38.487 -0.005 0.000 1.089 577 N HN 0.495 nan 8.380 nan 0.000 0.465 578 L N 2.184 123.354 121.223 -0.088 0.000 3.229 578 L HA 0.192 4.532 4.340 -0.001 0.000 0.286 578 L C 0.031 176.895 176.870 -0.011 0.000 1.239 578 L CA -0.233 54.573 54.840 -0.057 0.000 1.035 578 L CB 0.750 42.762 42.059 -0.078 0.000 1.408 578 L HN 0.477 nan 8.230 nan 0.000 0.593 579 T N 1.282 115.849 114.554 0.021 0.000 2.916 579 T HA 0.286 4.635 4.350 -0.001 0.000 0.303 579 T C 0.678 175.390 174.700 0.020 0.000 1.025 579 T CA 0.320 62.443 62.100 0.038 0.000 1.142 579 T CB 1.022 69.926 68.868 0.061 0.000 0.947 579 T HN 0.390 nan 8.240 nan 0.000 0.544 580 T N -0.098 114.468 114.554 0.020 0.000 2.773 580 T HA 0.539 4.888 4.350 -0.001 0.000 0.278 580 T C 1.228 175.939 174.700 0.018 0.000 1.011 580 T CA -0.986 61.122 62.100 0.013 0.000 1.014 580 T CB 1.456 70.328 68.868 0.006 0.000 1.293 580 T HN 0.281 nan 8.240 nan 0.000 0.554 581 K N 0.525 120.933 120.400 0.013 0.000 1.991 581 K HA -0.105 4.214 4.320 -0.001 0.000 0.212 581 K C 1.418 178.027 176.600 0.017 0.000 1.049 581 K CA 2.276 58.572 56.287 0.015 0.000 0.932 581 K CB -0.739 31.767 32.500 0.010 0.000 0.717 581 K HN 0.642 nan 8.250 nan 0.000 0.441 582 D N -0.774 119.633 120.400 0.011 0.000 2.349 582 D HA 0.051 4.691 4.640 -0.001 0.000 0.215 582 D C -0.385 175.923 176.300 0.014 0.000 1.016 582 D CA 0.206 54.211 54.000 0.008 0.000 0.870 582 D CB 0.311 41.110 40.800 -0.001 0.000 0.917 582 D HN 0.072 nan 8.370 nan 0.000 0.524 583 L N 0.997 122.233 121.223 0.021 0.000 2.404 583 L HA 0.293 4.633 4.340 -0.001 0.000 0.272 583 L C -1.110 175.788 176.870 0.047 0.000 0.980 583 L CA -0.936 53.922 54.840 0.031 0.000 0.836 583 L CB 2.225 44.294 42.059 0.017 0.000 1.238 583 L HN -0.278 nan 8.230 nan 0.000 0.408 584 V N 7.215 127.172 119.914 0.071 0.000 2.432 584 V HA 0.672 4.792 4.120 -0.001 0.000 0.271 584 V C -0.297 175.863 176.094 0.109 0.000 1.046 584 V CA 0.025 62.387 62.300 0.103 0.000 0.945 584 V CB 1.020 32.917 31.823 0.124 0.000 0.992 584 V HN 0.945 nan 8.190 nan 0.000 0.471 585 M N 7.889 127.565 119.600 0.127 0.000 2.490 585 M HA 0.618 5.098 4.480 -0.001 0.000 0.286 585 M C -2.204 174.162 176.300 0.109 0.000 1.185 585 M CA -0.550 54.778 55.300 0.047 0.000 0.912 585 M CB 2.285 34.877 32.600 -0.013 0.000 1.744 585 M HN 0.832 nan 8.290 nan 0.000 0.494 586 Y N 0.028 120.236 120.300 -0.153 0.000 2.689 586 Y HA 0.874 5.423 4.550 -0.001 0.000 0.333 586 Y C -1.381 174.302 175.900 -0.361 0.000 1.208 586 Y CA -0.769 57.139 58.100 -0.321 0.000 1.055 586 Y CB 0.816 39.092 38.460 -0.307 0.000 1.304 586 Y HN 0.734 nan 8.280 nan 0.000 0.455 587 S N -0.253 115.213 115.700 -0.391 0.000 2.618 587 S HA 0.781 5.251 4.470 -0.001 0.000 0.277 587 S C -2.116 172.289 174.600 -0.325 0.000 1.138 587 S CA -0.905 57.104 58.200 -0.318 0.000 0.844 587 S CB 1.891 64.978 63.200 -0.189 0.000 1.127 587 S HN 0.702 nan 8.310 nan 0.000 0.474 588 Y N 0.156 120.519 120.300 0.106 0.000 2.361 588 Y HA 0.584 5.134 4.550 -0.001 0.000 0.337 588 Y C 0.046 176.136 175.900 0.316 0.000 0.965 588 Y CA -0.564 57.699 58.100 0.271 0.000 1.091 588 Y CB 1.831 40.546 38.460 0.425 0.000 1.182 588 Y HN 0.737 nan 8.280 nan 0.000 0.450 589 E N 4.792 125.243 120.200 0.418 0.000 2.199 589 E HA 0.410 4.760 4.350 -0.001 0.000 0.269 589 E C -1.625 175.145 176.600 0.283 0.000 0.899 589 E CA -0.744 55.858 56.400 0.336 0.000 0.772 589 E CB 1.958 31.767 29.700 0.182 0.000 1.155 589 E HN 0.725 nan 8.360 nan 0.000 0.408 590 K N 3.838 124.388 120.400 0.249 0.000 2.561 590 K HA 0.202 4.522 4.320 -0.001 0.000 0.254 590 K C -0.928 175.682 176.600 0.017 0.000 0.942 590 K CA -0.360 55.938 56.287 0.018 0.000 0.818 590 K CB 0.619 32.934 32.500 -0.309 0.000 1.306 590 K HN 0.743 nan 8.250 nan 0.000 0.435 591 N N 2.760 121.464 118.700 0.007 0.000 2.725 591 N HA -0.264 4.476 4.740 -0.001 0.000 0.251 591 N C 0.486 176.033 175.510 0.061 0.000 1.031 591 N CA 0.661 53.722 53.050 0.018 0.000 0.720 591 N CB -0.790 37.688 38.487 -0.015 0.000 0.930 591 N HN 1.077 nan 8.380 nan 0.000 0.543 592 G N -1.014 107.833 108.800 0.078 0.000 2.220 592 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.269 592 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.269 592 G C 0.050 175.027 174.900 0.128 0.000 0.977 592 G CA 1.003 46.156 45.100 0.088 0.000 0.634 592 G HN 0.553 nan 8.290 nan 0.000 0.539 593 Q N -0.415 119.503 119.800 0.195 0.000 2.193 593 Q HA 0.721 5.061 4.340 -0.001 0.000 0.246 593 Q C -0.088 176.129 176.000 0.360 0.000 0.959 593 Q CA -0.508 55.463 55.803 0.280 0.000 0.904 593 Q CB 1.679 30.662 28.738 0.408 0.000 1.238 593 Q HN 0.303 nan 8.270 nan 0.000 0.469 594 K N 1.465 122.010 120.400 0.241 0.000 2.543 594 K HA 0.480 4.799 4.320 -0.001 0.000 0.255 594 K C -1.620 174.934 176.600 -0.077 0.000 0.934 594 K CA -0.520 55.858 56.287 0.152 0.000 0.810 594 K CB 1.362 33.922 32.500 0.099 0.000 1.315 594 K HN 0.725 nan 8.250 nan 0.000 0.433 595 I N 0.292 120.746 120.570 -0.194 0.000 2.693 595 I HA 0.690 4.860 4.170 -0.001 0.000 0.303 595 I C -1.161 174.834 176.117 -0.203 0.000 1.025 595 I CA -1.105 60.007 61.300 -0.313 0.000 1.086 595 I CB 2.134 39.772 38.000 -0.604 0.000 1.268 595 I HN 0.205 nan 8.210 nan 0.000 0.440 596 V N 5.563 125.336 119.914 -0.234 0.000 2.588 596 V HA 0.448 4.568 4.120 -0.001 0.000 0.304 596 V C -0.392 175.515 176.094 -0.311 0.000 1.042 596 V CA -0.399 61.753 62.300 -0.247 0.000 0.877 596 V CB 1.854 33.582 31.823 -0.159 0.000 0.996 596 V HN 0.522 nan 8.190 nan 0.000 0.425 597 I N 4.253 124.519 120.570 -0.507 0.000 2.336 597 I HA 0.779 4.949 4.170 -0.001 0.000 0.292 597 I C 0.374 176.310 176.117 -0.300 0.000 0.991 597 I CA 0.069 61.040 61.300 -0.548 0.000 1.227 597 I CB 1.584 38.899 38.000 -1.142 0.000 1.366 597 I HN 0.754 nan 8.210 nan 0.000 0.466 598 A N 4.963 127.820 122.820 0.060 0.000 2.486 598 A HA 0.998 5.318 4.320 -0.001 0.000 0.300 598 A C -1.239 176.515 177.584 0.285 0.000 1.048 598 A CA -0.540 51.561 52.037 0.107 0.000 0.696 598 A CB 1.732 20.758 19.000 0.044 0.000 1.278 598 A HN 0.870 nan 8.150 nan 0.000 0.405 599 A N 1.510 124.452 122.820 0.204 0.000 2.437 599 A HA 0.650 4.969 4.320 -0.001 0.000 0.293 599 A C -0.862 176.797 177.584 0.126 0.000 1.038 599 A CA -0.456 51.724 52.037 0.238 0.000 0.708 599 A CB 0.905 20.070 19.000 0.275 0.000 1.251 599 A HN 0.924 nan 8.150 nan 0.000 0.409 600 N N 2.032 120.786 118.700 0.090 0.000 2.420 600 N HA 0.368 5.108 4.740 -0.001 0.000 0.249 600 N C 0.363 175.884 175.510 0.017 0.000 1.033 600 N CA -0.275 52.795 53.050 0.034 0.000 0.944 600 N CB 0.881 39.368 38.487 -0.000 0.000 1.113 600 N HN 0.596 nan 8.380 nan 0.000 0.502 601 V N 1.271 121.193 119.914 0.013 0.000 3.121 601 V HA 0.503 4.623 4.120 -0.001 0.000 0.344 601 V C 0.962 177.037 176.094 -0.032 0.000 1.390 601 V CA -0.453 61.840 62.300 -0.011 0.000 1.177 601 V CB -0.141 31.694 31.823 0.021 0.000 1.163 601 V HN 0.508 nan 8.190 nan 0.000 0.484 602 G N 0.273 109.054 108.800 -0.032 0.000 2.568 602 G HA2 0.445 4.404 3.960 -0.001 0.000 0.293 602 G HA3 0.445 4.404 3.960 -0.001 0.000 0.293 602 G C 0.449 175.316 174.900 -0.056 0.000 1.347 602 G CA -0.540 44.539 45.100 -0.033 0.000 1.039 602 G HN 0.103 nan 8.290 nan 0.000 0.523 603 K N -0.340 120.035 120.400 -0.042 0.000 2.352 603 K HA 0.187 4.507 4.320 -0.001 0.000 0.194 603 K C 0.124 176.699 176.600 -0.042 0.000 1.038 603 K CA 0.513 56.772 56.287 -0.047 0.000 1.023 603 K CB 0.624 33.106 32.500 -0.029 0.000 0.840 603 K HN 0.378 nan 8.250 nan 0.000 0.519 604 E N 0.916 121.094 120.200 -0.036 0.000 2.277 604 E HA 0.344 4.693 4.350 -0.001 0.000 0.266 604 E C -2.526 174.053 176.600 -0.035 0.000 0.901 604 E CA -2.520 53.860 56.400 -0.033 0.000 0.782 604 E CB 1.608 31.293 29.700 -0.024 0.000 1.228 604 E HN -0.123 nan 8.360 nan 0.000 0.424 605 P HA 0.120 nan 4.420 nan 0.000 0.271 605 P C -0.521 176.760 177.300 -0.031 0.000 1.233 605 P CA -0.026 63.050 63.100 -0.039 0.000 0.789 605 P CB 1.023 32.698 31.700 -0.042 0.000 0.951 606 K N 0.538 120.919 120.400 -0.032 0.000 2.502 606 K HA 0.342 4.662 4.320 -0.001 0.000 0.257 606 K C -0.690 175.893 176.600 -0.028 0.000 0.938 606 K CA -0.625 55.647 56.287 -0.025 0.000 0.819 606 K CB 2.752 35.241 32.500 -0.019 0.000 1.333 606 K HN 0.497 nan 8.250 nan 0.000 0.434 607 E N 3.162 123.347 120.200 -0.025 0.000 2.207 607 E HA 0.582 4.931 4.350 -0.001 0.000 0.270 607 E C -0.975 175.611 176.600 -0.023 0.000 0.927 607 E CA -0.734 55.650 56.400 -0.026 0.000 0.799 607 E CB 1.461 31.147 29.700 -0.024 0.000 1.172 607 E HN 0.576 nan 8.360 nan 0.000 0.404 608 I N -1.310 119.245 120.570 -0.025 0.000 3.102 608 I HA 0.431 4.601 4.170 -0.001 0.000 0.310 608 I C -0.317 175.787 176.117 -0.021 0.000 1.246 608 I CA -0.961 60.325 61.300 -0.023 0.000 0.979 608 I CB 1.956 39.941 38.000 -0.025 0.000 1.267 608 I HN 0.246 nan 8.210 nan 0.000 0.451 609 T N 2.439 116.981 114.554 -0.020 0.000 2.946 609 T HA 0.326 4.676 4.350 -0.001 0.000 0.312 609 T C 0.520 175.213 174.700 -0.012 0.000 1.066 609 T CA 0.681 62.772 62.100 -0.015 0.000 1.138 609 T CB 0.693 69.552 68.868 -0.015 0.000 1.014 609 T HN 0.879 nan 8.240 nan 0.000 0.544 610 G N 0.398 109.195 108.800 -0.004 0.000 2.773 610 G HA2 0.764 4.724 3.960 -0.001 0.000 0.186 610 G HA3 0.764 4.724 3.960 -0.001 0.000 0.186 610 G C 0.406 175.316 174.900 0.018 0.000 1.411 610 G CA -0.025 45.078 45.100 0.005 0.000 1.054 610 G HN 1.174 nan 8.290 nan 0.000 0.579 611 G N -1.222 107.598 108.800 0.033 0.000 2.233 611 G HA2 0.058 4.017 3.960 -0.001 0.000 0.162 611 G HA3 0.058 4.017 3.960 -0.001 0.000 0.162 611 G C -0.592 174.355 174.900 0.078 0.000 1.327 611 G CA -0.233 44.893 45.100 0.044 0.000 1.187 611 G HN 0.591 nan 8.290 nan 0.000 0.479 612 R N 0.290 120.856 120.500 0.111 0.000 2.221 612 R HA 0.583 4.923 4.340 -0.001 0.000 0.327 612 R C -0.699 175.821 176.300 0.367 0.000 1.033 612 R CA -0.255 55.965 56.100 0.199 0.000 0.887 612 R CB 0.978 31.336 30.300 0.097 0.000 1.057 612 R HN 0.402 nan 8.270 nan 0.000 0.455 613 V N 5.069 125.210 119.914 0.379 0.000 2.459 613 V HA 0.366 4.486 4.120 -0.001 0.000 0.295 613 V C -0.800 175.401 176.094 0.179 0.000 1.029 613 V CA -0.905 61.542 62.300 0.244 0.000 0.874 613 V CB 1.592 33.454 31.823 0.064 0.000 0.985 613 V HN 0.768 nan 8.190 nan 0.000 0.438 614 W N 6.005 127.117 121.300 -0.313 0.000 2.587 614 W HA 0.629 5.289 4.660 -0.000 0.000 0.324 614 W C 0.221 176.478 176.519 -0.436 0.000 1.040 614 W CA -0.443 56.491 57.345 -0.685 0.000 1.222 614 W CB 1.655 30.338 29.460 -1.294 0.000 1.381 614 W HN 0.682 nan 8.180 nan 0.000 0.483 615 N N 3.774 121.712 118.700 -1.270 0.000 2.381 615 N HA 0.265 5.005 4.740 -0.001 0.000 0.257 615 N C 0.407 175.096 175.510 -1.369 0.000 1.409 615 N CA 0.213 52.550 53.050 -1.189 0.000 0.836 615 N CB 0.728 38.656 38.487 -0.932 0.000 1.384 615 N HN 0.824 nan 8.380 nan 0.000 0.490 616 G N -0.235 107.116 108.800 -2.416 0.000 2.545 616 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.195 616 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.195 616 G C -0.369 174.072 174.900 -0.765 0.000 1.009 616 G CA -0.060 44.357 45.100 -1.138 0.000 0.703 616 G HN 0.537 nan 8.290 nan 0.000 0.479 617 K N -0.576 119.282 120.400 -0.903 0.000 2.482 617 K HA 0.659 4.979 4.320 -0.001 0.000 0.257 617 K C -1.675 174.717 176.600 -0.346 0.000 0.969 617 K CA -0.878 55.185 56.287 -0.373 0.000 0.842 617 K CB 1.197 33.592 32.500 -0.176 0.000 1.359 617 K HN 0.150 nan 8.250 nan 0.000 0.441 618 W N 2.114 123.442 121.300 0.047 0.000 2.365 618 W HA 0.442 5.102 4.660 -0.000 0.000 0.316 618 W C 0.187 176.725 176.519 0.032 0.000 1.164 618 W CA -0.079 57.335 57.345 0.114 0.000 1.204 618 W CB 1.553 31.137 29.460 0.207 0.000 1.213 618 W HN 0.618 nan 8.180 nan 0.000 0.539 619 S N 1.108 117.005 115.700 0.329 0.000 2.685 619 S HA 0.698 5.167 4.470 -0.001 0.000 0.282 619 S C -1.619 173.084 174.600 0.171 0.000 1.159 619 S CA -1.139 57.163 58.200 0.170 0.000 0.833 619 S CB 2.356 65.591 63.200 0.059 0.000 1.151 619 S HN 0.337 nan 8.310 nan 0.000 0.485 620 D N 0.852 121.309 120.400 0.095 0.000 2.686 620 D HA 0.532 5.172 4.640 -0.001 0.000 0.249 620 D C -1.123 175.202 176.300 0.042 0.000 1.260 620 D CA -0.323 53.721 54.000 0.074 0.000 0.910 620 D CB 1.362 42.194 40.800 0.054 0.000 1.323 620 D HN 0.613 nan 8.370 nan 0.000 0.561 621 E N 1.851 122.072 120.200 0.034 0.000 2.372 621 E HA 0.251 4.601 4.350 -0.001 0.000 0.279 621 E C -0.181 176.426 176.600 0.012 0.000 0.946 621 E CA -0.661 55.748 56.400 0.015 0.000 0.769 621 E CB 1.352 31.053 29.700 0.002 0.000 1.230 621 E HN 0.040 nan 8.360 nan 0.000 0.442 622 E N 1.127 121.331 120.200 0.006 0.000 2.208 622 E HA -0.033 4.317 4.350 -0.001 0.000 0.193 622 E C 0.205 176.804 176.600 -0.002 0.000 0.988 622 E CA 1.129 57.532 56.400 0.004 0.000 0.828 622 E CB 0.097 29.798 29.700 0.003 0.000 0.763 622 E HN 0.535 nan 8.360 nan 0.000 0.478 623 K N -0.439 119.957 120.400 -0.007 0.000 2.371 623 K HA 0.580 4.899 4.320 -0.001 0.000 0.251 623 K C -0.781 175.806 176.600 -0.021 0.000 0.934 623 K CA -0.747 55.532 56.287 -0.014 0.000 0.798 623 K CB 2.608 35.099 32.500 -0.015 0.000 1.204 623 K HN -0.294 nan 8.250 nan 0.000 0.427 624 V N 2.472 122.370 119.914 -0.027 0.000 2.444 624 V HA 0.247 4.367 4.120 -0.001 0.000 0.294 624 V C -0.730 175.336 176.094 -0.047 0.000 1.022 624 V CA -0.911 61.364 62.300 -0.042 0.000 0.850 624 V CB 1.761 33.557 31.823 -0.046 0.000 0.992 624 V HN 0.624 nan 8.190 nan 0.000 0.426 625 V N 6.757 126.638 119.914 -0.056 0.000 2.318 625 V HA 0.371 4.490 4.120 -0.001 0.000 0.271 625 V C 0.025 176.076 176.094 -0.073 0.000 1.030 625 V CA -0.353 61.914 62.300 -0.055 0.000 0.844 625 V CB 1.242 33.035 31.823 -0.050 0.000 1.015 625 V HN 0.622 nan 8.190 nan 0.000 0.460 626 L N 6.302 127.486 121.223 -0.065 0.000 2.268 626 L HA 0.396 4.736 4.340 -0.001 0.000 0.289 626 L C 0.717 177.547 176.870 -0.067 0.000 1.064 626 L CA -0.272 54.524 54.840 -0.074 0.000 0.824 626 L CB 0.496 42.526 42.059 -0.050 0.000 1.202 626 L HN 0.596 nan 8.230 nan 0.000 0.433 627 K N 3.768 124.119 120.400 -0.082 0.000 2.143 627 K HA 0.234 4.554 4.320 -0.001 0.000 0.239 627 K C -2.281 174.276 176.600 -0.072 0.000 1.048 627 K CA -1.566 54.676 56.287 -0.074 0.000 0.867 627 K CB -0.028 32.422 32.500 -0.082 0.000 1.088 627 K HN 0.229 nan 8.250 nan 0.000 0.510 628 P HA -0.012 nan 4.420 nan 0.000 0.268 628 P C -0.373 176.870 177.300 -0.095 0.000 1.204 628 P CA 0.573 63.620 63.100 -0.088 0.000 0.768 628 P CB 0.293 31.927 31.700 -0.109 0.000 0.842 629 L N -0.102 121.077 121.223 -0.073 0.000 4.291 629 L HA -0.241 4.099 4.340 -0.001 0.000 0.413 629 L C 0.286 177.164 176.870 0.015 0.000 1.162 629 L CA 0.751 55.570 54.840 -0.035 0.000 0.961 629 L CB -1.605 40.398 42.059 -0.093 0.000 2.095 629 L HN 0.517 nan 8.230 nan 0.000 0.838 630 E N -0.044 120.145 120.200 -0.017 0.000 2.232 630 E HA 0.803 5.153 4.350 -0.001 0.000 0.264 630 E C -0.467 176.140 176.600 0.012 0.000 0.973 630 E CA -0.544 55.791 56.400 -0.110 0.000 0.849 630 E CB 1.701 31.281 29.700 -0.200 0.000 1.198 630 E HN 0.196 nan 8.360 nan 0.000 0.407 631 F N -1.161 118.706 119.950 -0.138 0.000 2.754 631 F HA 0.903 5.430 4.527 -0.001 0.000 0.320 631 F C -1.278 174.372 175.800 -0.250 0.000 1.156 631 F CA -1.089 56.848 58.000 -0.105 0.000 0.950 631 F CB 1.256 40.237 39.000 -0.032 0.000 1.388 631 F HN 0.530 nan 8.300 nan 0.000 0.485 632 A N 1.056 123.900 122.820 0.040 0.000 2.590 632 A HA 0.597 4.916 4.320 -0.001 0.000 0.294 632 A C -2.696 174.991 177.584 0.173 0.000 1.046 632 A CA -0.611 51.362 52.037 -0.107 0.000 0.684 632 A CB 1.358 20.271 19.000 -0.145 0.000 1.279 632 A HN 1.382 nan 8.150 nan 0.000 0.415 633 L N 1.838 123.149 121.223 0.147 0.000 2.287 633 L HA 0.749 5.089 4.340 -0.001 0.000 0.287 633 L C -1.082 175.784 176.870 -0.007 0.000 1.022 633 L CA -0.332 54.571 54.840 0.104 0.000 0.814 633 L CB 1.461 43.552 42.059 0.054 0.000 1.217 633 L HN 0.512 nan 8.230 nan 0.000 0.420 634 V N 6.165 126.042 119.914 -0.062 0.000 2.370 634 V HA 0.437 4.557 4.120 -0.001 0.000 0.283 634 V C -0.307 175.745 176.094 -0.069 0.000 1.023 634 V CA -0.651 61.634 62.300 -0.025 0.000 0.857 634 V CB 1.734 33.541 31.823 -0.028 0.000 0.985 634 V HN 0.517 nan 8.190 nan 0.000 0.443 635 V N 6.147 126.069 119.914 0.012 0.000 2.350 635 V HA 0.422 4.542 4.120 -0.001 0.000 0.276 635 V C 0.043 176.149 176.094 0.019 0.000 1.028 635 V CA -0.385 61.902 62.300 -0.021 0.000 0.860 635 V CB 1.165 33.029 31.823 0.068 0.000 0.990 635 V HN 0.953 nan 8.190 nan 0.000 0.453 636 Q N 0.000 119.801 119.800 0.001 0.000 2.315 636 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 636 Q CA 0.000 55.818 55.803 0.025 0.000 1.022 636 Q CB 0.000 28.746 28.738 0.014 0.000 1.108 636 Q HN 0.000 nan 8.270 nan 0.000 0.481