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 1c7j_1_A DATA FIRST_RESID 2 DATA SEQUENCE THQIVTTQYG KVKGTTENGV HKWKGIPYAK PPVGQWRFKA PEPPEVWEDV DATA SEQUENCE LDATAYGPVC PQPSDLLSLS YTELPRQSED CLYVNVFAPD TPSQNLPVMV DATA SEQUENCE WIHGGAFYLG AGSEPLYDGS KLAAQGEVIV VTLNYRLGPF GFMHLSSFDE DATA SEQUENCE AYSDNLGLLD QAAALKWVRE NISAFGGDPD NVTVFGESAG GMSIAALLAM DATA SEQUENCE PAAKGLFQKA IMESGASRTM TKEQAASTAA AFLQVLGINE SQLDRLHTVA DATA SEQUENCE AEDLLKAADQ LRIAEKENIF QLFFQPALDP KTLPEEPEKS IAEGAASGIP DATA SEQUENCE LLIGTTRDEG YLFFTSDSDV RSQETLDAAL EYSLGKPLAE KAADLYPRSL DATA SEQUENCE ESQIHMVTDL LFWRPAVAFA SAQSHYAPVW MYRFDWHPEK PPYNKAFHAL DATA SEQUENCE ELPFVFGNLD GLERMAKAEI TDEVKQLSHT IQSAWITFAK TGNPSTEAVN DATA SEQUENCE WPAYHEETRE TVILDSEITI ENDPESEKRQ KLFPS 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.777 174.700 0.128 0.000 1.109 2 T CA 0.000 62.163 62.100 0.105 0.000 1.349 2 T CB 0.000 68.932 68.868 0.107 0.000 0.612 3 H N 1.904 120.973 119.070 -0.000 0.000 2.547 3 H HA 0.261 4.816 4.556 -0.002 0.000 0.266 3 H C 0.353 175.686 175.328 0.010 0.000 0.988 3 H CA 0.728 56.777 56.048 0.003 0.000 1.147 3 H CB -0.099 29.670 29.762 0.013 0.000 1.365 3 H HN 0.353 nan 8.280 nan 0.000 0.589 4 Q N 0.096 119.808 119.800 -0.147 0.000 2.475 4 Q HA -0.168 4.171 4.340 -0.002 0.000 0.280 4 Q C -0.277 175.744 176.000 0.035 0.000 1.234 4 Q CA 0.677 56.447 55.803 -0.055 0.000 0.873 4 Q CB -2.585 26.063 28.738 -0.150 0.000 1.256 4 Q HN 0.650 nan 8.270 nan 0.000 0.475 5 I N 0.487 120.886 120.570 -0.286 0.000 2.342 5 I HA 0.300 4.469 4.170 -0.002 0.000 0.291 5 I C 0.471 176.520 176.117 -0.113 0.000 1.010 5 I CA -0.664 60.543 61.300 -0.156 0.000 1.308 5 I CB 1.329 39.162 38.000 -0.278 0.000 1.400 5 I HN -0.173 nan 8.210 nan 0.000 0.488 6 V N 4.897 124.749 119.914 -0.103 0.000 2.588 6 V HA 0.290 4.409 4.120 -0.002 0.000 0.304 6 V C -0.008 175.941 176.094 -0.240 0.000 1.042 6 V CA -0.628 61.458 62.300 -0.356 0.000 0.877 6 V CB 2.095 33.334 31.823 -0.973 0.000 0.996 6 V HN 0.672 nan 8.190 nan 0.000 0.425 7 T N 3.703 118.113 114.554 -0.240 0.000 2.727 7 T HA 0.404 4.753 4.350 -0.002 0.000 0.298 7 T C 0.443 175.036 174.700 -0.178 0.000 0.942 7 T CA -0.161 61.849 62.100 -0.150 0.000 0.997 7 T CB 0.621 69.406 68.868 -0.137 0.000 0.917 7 T HN 0.968 nan 8.240 nan 0.000 0.487 8 T N 0.693 115.204 114.554 -0.070 0.000 2.881 8 T HA 0.223 4.572 4.350 -0.002 0.000 0.278 8 T C 1.589 176.155 174.700 -0.223 0.000 0.982 8 T CA -0.892 61.176 62.100 -0.054 0.000 0.989 8 T CB 1.012 70.061 68.868 0.302 0.000 1.058 8 T HN 0.628 nan 8.240 nan 0.000 0.529 9 Q N -0.210 119.365 119.800 -0.376 0.000 2.368 9 Q HA -0.152 4.187 4.340 -0.002 0.000 0.210 9 Q C 0.562 176.189 176.000 -0.622 0.000 0.982 9 Q CA 1.570 57.047 55.803 -0.543 0.000 0.884 9 Q CB -0.612 27.692 28.738 -0.724 0.000 0.933 9 Q HN 0.845 nan 8.270 nan 0.000 0.460 10 Y N 0.029 120.163 120.300 -0.276 0.000 2.467 10 Y HA 0.513 5.062 4.550 -0.001 0.000 0.250 10 Y C 0.946 176.065 175.900 -1.302 0.000 1.155 10 Y CA 0.046 57.788 58.100 -0.597 0.000 1.249 10 Y CB 1.366 39.541 38.460 -0.475 0.000 1.146 10 Y HN 0.273 nan 8.280 nan 0.000 0.524 11 G N 0.017 108.309 108.800 -0.846 0.000 2.359 11 G HA2 0.063 4.022 3.960 -0.002 0.000 0.314 11 G HA3 0.063 4.022 3.960 -0.002 0.000 0.314 11 G C -1.420 173.412 174.900 -0.113 0.000 1.364 11 G CA -1.398 43.161 45.100 -0.902 0.000 0.978 11 G HN -0.075 nan 8.290 nan 0.000 0.615 12 K N -0.502 119.997 120.400 0.166 0.000 2.237 12 K HA 0.568 4.887 4.320 -0.002 0.000 0.270 12 K C 0.401 177.301 176.600 0.499 0.000 1.015 12 K CA -0.314 56.139 56.287 0.277 0.000 0.949 12 K CB 1.675 34.280 32.500 0.174 0.000 0.976 12 K HN 1.072 nan 8.250 nan 0.000 0.472 13 V N -1.065 119.054 119.914 0.341 0.000 2.962 13 V HA 0.577 4.696 4.120 -0.002 0.000 0.313 13 V C -1.002 175.278 176.094 0.310 0.000 1.099 13 V CA -1.036 61.478 62.300 0.357 0.000 0.971 13 V CB 1.835 33.922 31.823 0.441 0.000 1.028 13 V HN 0.760 nan 8.190 nan 0.000 0.430 14 K N 1.883 122.459 120.400 0.294 0.000 2.463 14 K HA 0.771 5.090 4.320 -0.002 0.000 0.255 14 K C 0.074 176.788 176.600 0.189 0.000 0.942 14 K CA 0.025 56.451 56.287 0.232 0.000 0.814 14 K CB 1.817 34.382 32.500 0.108 0.000 1.122 14 K HN 1.167 nan 8.250 nan 0.000 0.425 15 G N 0.792 109.616 108.800 0.039 0.000 2.890 15 G HA2 0.478 4.438 3.960 -0.002 0.000 0.189 15 G HA3 0.478 4.438 3.960 -0.002 0.000 0.189 15 G C -0.786 173.911 174.900 -0.338 0.000 1.342 15 G CA -0.243 44.622 45.100 -0.391 0.000 1.026 15 G HN 0.540 nan 8.290 nan 0.000 0.579 16 T N -2.324 111.965 114.554 -0.441 0.000 2.754 16 T HA 0.634 4.983 4.350 -0.002 0.000 0.296 16 T C -1.481 173.086 174.700 -0.221 0.000 1.205 16 T CA -0.340 61.614 62.100 -0.244 0.000 1.009 16 T CB 1.563 70.332 68.868 -0.164 0.000 1.368 16 T HN 0.504 nan 8.240 nan 0.000 0.509 17 T N 2.432 116.933 114.554 -0.088 0.000 2.879 17 T HA 0.607 4.956 4.350 -0.002 0.000 0.290 17 T C -1.429 173.241 174.700 -0.049 0.000 0.993 17 T CA -0.642 61.441 62.100 -0.029 0.000 0.975 17 T CB 1.242 70.162 68.868 0.088 0.000 0.981 17 T HN 0.572 nan 8.240 nan 0.000 0.439 18 E N 2.062 122.227 120.200 -0.058 0.000 2.263 18 E HA 0.323 4.672 4.350 -0.002 0.000 0.268 18 E C -0.254 176.326 176.600 -0.034 0.000 0.884 18 E CA -0.785 55.592 56.400 -0.039 0.000 0.766 18 E CB 1.555 31.237 29.700 -0.030 0.000 1.196 18 E HN 0.828 nan 8.360 nan 0.000 0.416 19 N N 2.517 121.200 118.700 -0.029 0.000 2.714 19 N HA -0.295 4.444 4.740 -0.002 0.000 0.252 19 N C 0.539 176.026 175.510 -0.038 0.000 1.014 19 N CA 0.460 53.495 53.050 -0.026 0.000 0.735 19 N CB -0.647 37.831 38.487 -0.016 0.000 0.924 19 N HN 0.992 nan 8.380 nan 0.000 0.540 20 G N -1.438 107.324 108.800 -0.064 0.000 2.148 20 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.254 20 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.254 20 G C -0.134 174.675 174.900 -0.152 0.000 0.981 20 G CA 0.341 45.382 45.100 -0.097 0.000 0.670 20 G HN 0.546 nan 8.290 nan 0.000 0.528 21 V N 1.955 121.780 119.914 -0.148 0.000 2.525 21 V HA 0.460 4.579 4.120 -0.002 0.000 0.299 21 V C -0.104 175.895 176.094 -0.159 0.000 1.034 21 V CA -1.440 60.787 62.300 -0.122 0.000 0.863 21 V CB 1.667 33.517 31.823 0.045 0.000 0.999 21 V HN 0.334 nan 8.190 nan 0.000 0.423 22 H N 3.920 122.974 119.070 -0.027 0.000 2.610 22 H HA 0.533 5.088 4.556 -0.001 0.000 0.336 22 H C -0.378 174.723 175.328 -0.379 0.000 1.087 22 H CA -0.138 55.739 56.048 -0.284 0.000 1.405 22 H CB 1.081 30.673 29.762 -0.283 0.000 1.460 22 H HN 0.540 nan 8.280 nan 0.000 0.538 23 K N 2.897 122.977 120.400 -0.533 0.000 2.482 23 K HA 0.295 4.614 4.320 -0.002 0.000 0.251 23 K C -0.916 175.330 176.600 -0.590 0.000 0.936 23 K CA -0.630 55.375 56.287 -0.469 0.000 0.791 23 K CB 2.435 34.730 32.500 -0.342 0.000 1.213 23 K HN 0.466 nan 8.250 nan 0.000 0.428 24 W N 3.029 124.237 121.300 -0.154 0.000 2.619 24 W HA 0.390 5.049 4.660 -0.001 0.000 0.327 24 W C -0.388 176.034 176.519 -0.161 0.000 1.027 24 W CA -0.747 56.564 57.345 -0.057 0.000 1.233 24 W CB 1.984 31.527 29.460 0.138 0.000 1.370 24 W HN 0.347 nan 8.180 nan 0.000 0.453 25 K N 0.670 121.077 120.400 0.012 0.000 2.316 25 K HA 0.577 4.896 4.320 -0.002 0.000 0.251 25 K C 0.445 177.051 176.600 0.010 0.000 0.934 25 K CA -0.774 55.480 56.287 -0.056 0.000 0.802 25 K CB 2.177 34.436 32.500 -0.402 0.000 1.171 25 K HN 0.608 nan 8.250 nan 0.000 0.426 26 G N 2.272 111.125 108.800 0.088 0.000 2.248 26 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.263 26 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.263 26 G C -0.170 174.822 174.900 0.154 0.000 1.082 26 G CA -0.371 44.726 45.100 -0.004 0.000 0.863 26 G HN 0.505 nan 8.290 nan 0.000 0.495 27 I N 1.025 121.728 120.570 0.220 0.000 2.371 27 I HA 0.252 4.421 4.170 -0.002 0.000 0.290 27 I C -1.899 174.344 176.117 0.211 0.000 1.028 27 I CA -2.339 59.083 61.300 0.203 0.000 1.345 27 I CB 1.430 39.491 38.000 0.100 0.000 1.407 27 I HN -0.086 nan 8.210 nan 0.000 0.501 28 P HA 0.047 nan 4.420 nan 0.000 0.276 28 P C -0.600 176.670 177.300 -0.051 0.000 1.235 28 P CA 0.125 63.154 63.100 -0.118 0.000 0.772 28 P CB 0.260 31.903 31.700 -0.096 0.000 0.871 29 Y N 2.174 122.292 120.300 -0.303 0.000 2.500 29 Y HA 0.771 5.320 4.550 -0.002 0.000 0.246 29 Y C -0.041 175.789 175.900 -0.115 0.000 1.146 29 Y CA -0.636 57.337 58.100 -0.211 0.000 1.230 29 Y CB 0.255 38.482 38.460 -0.389 0.000 1.214 29 Y HN 0.349 nan 8.280 nan 0.000 0.526 30 A N 0.885 123.368 122.820 -0.561 0.000 2.610 30 A HA 0.472 4.792 4.320 -0.002 0.000 0.291 30 A C -1.498 175.796 177.584 -0.482 0.000 1.086 30 A CA -1.217 50.522 52.037 -0.496 0.000 0.677 30 A CB 1.097 19.749 19.000 -0.581 0.000 1.278 30 A HN 0.201 nan 8.150 nan 0.000 0.414 31 K N 0.934 121.083 120.400 -0.418 0.000 2.350 31 K HA 0.368 4.687 4.320 -0.002 0.000 0.279 31 K C -2.404 173.992 176.600 -0.339 0.000 1.027 31 K CA -1.273 54.783 56.287 -0.384 0.000 0.969 31 K CB 0.268 32.469 32.500 -0.498 0.000 0.954 31 K HN 0.314 nan 8.250 nan 0.000 0.474 32 P HA -0.028 nan 4.420 nan 0.000 0.260 32 P C -2.389 174.854 177.300 -0.095 0.000 1.185 32 P CA -0.800 62.190 63.100 -0.183 0.000 0.763 32 P CB 0.234 31.873 31.700 -0.102 0.000 0.776 33 P HA 0.016 nan 4.420 nan 0.000 0.232 33 P C -0.296 177.039 177.300 0.059 0.000 1.738 33 P CA 0.459 63.574 63.100 0.024 0.000 0.948 33 P CB 0.206 31.886 31.700 -0.034 0.000 1.943 34 V N 0.502 120.487 119.914 0.119 0.000 3.019 34 V HA 0.760 4.879 4.120 -0.002 0.000 0.317 34 V C 0.995 177.183 176.094 0.157 0.000 1.094 34 V CA 0.775 63.133 62.300 0.097 0.000 1.000 34 V CB 1.247 33.103 31.823 0.054 0.000 1.060 34 V HN 0.638 nan 8.190 nan 0.000 0.443 35 G N 3.863 112.736 108.800 0.121 0.000 2.622 35 G HA2 -0.430 3.530 3.960 -0.002 0.000 0.307 35 G HA3 -0.430 3.530 3.960 -0.002 0.000 0.307 35 G C 0.855 175.826 174.900 0.118 0.000 1.226 35 G CA 1.309 46.477 45.100 0.114 0.000 0.997 35 G HN 1.651 nan 8.290 nan 0.000 0.551 36 Q N -0.352 119.360 119.800 -0.148 0.000 2.291 36 Q HA -0.046 4.293 4.340 -0.002 0.000 0.206 36 Q C 2.134 177.864 176.000 -0.450 0.000 0.976 36 Q CA 2.069 57.573 55.803 -0.499 0.000 0.875 36 Q CB -0.236 28.086 28.738 -0.693 0.000 0.927 36 Q HN 0.756 nan 8.270 nan 0.000 0.450 37 W N 1.371 122.715 121.300 0.073 0.000 3.256 37 W HA 0.238 4.897 4.660 -0.002 0.000 0.269 37 W C 0.827 177.403 176.519 0.095 0.000 1.310 37 W CA -0.876 56.516 57.345 0.078 0.000 1.673 37 W CB 0.454 29.925 29.460 0.018 0.000 1.115 37 W HN -0.011 nan 8.180 nan 0.000 0.686 38 R N 0.822 121.478 120.500 0.260 0.000 2.590 38 R HA 0.020 4.359 4.340 -0.002 0.000 0.274 38 R C 0.016 176.333 176.300 0.028 0.000 1.061 38 R CA 0.294 56.380 56.100 -0.024 0.000 1.081 38 R CB -0.034 30.163 30.300 -0.171 0.000 0.984 38 R HN 0.159 nan 8.270 nan 0.000 0.448 39 F N -0.012 119.976 119.950 0.062 0.000 2.914 39 F HA -0.306 4.220 4.527 -0.002 0.000 0.304 39 F C -0.220 175.669 175.800 0.149 0.000 0.712 39 F CA 1.120 59.088 58.000 -0.053 0.000 1.211 39 F CB -1.524 37.177 39.000 -0.499 0.000 1.515 39 F HN 0.575 nan 8.300 nan 0.000 0.350 40 K N -0.038 120.571 120.400 0.350 0.000 2.281 40 K HA 0.847 5.166 4.320 -0.002 0.000 0.242 40 K C 0.315 177.076 176.600 0.268 0.000 0.971 40 K CA -0.509 56.005 56.287 0.378 0.000 0.834 40 K CB 1.916 34.697 32.500 0.468 0.000 1.181 40 K HN 0.045 nan 8.250 nan 0.000 0.435 41 A N 2.848 125.809 122.820 0.235 0.000 2.555 41 A HA 0.140 4.460 4.320 -0.002 0.000 0.233 41 A C -1.989 175.666 177.584 0.118 0.000 1.060 41 A CA -0.656 51.475 52.037 0.158 0.000 0.759 41 A CB -0.742 18.344 19.000 0.144 0.000 0.995 41 A HN 0.445 nan 8.150 nan 0.000 0.506 42 P HA 0.127 nan 4.420 nan 0.000 0.268 42 P C -0.507 176.755 177.300 -0.065 0.000 1.204 42 P CA 0.253 63.346 63.100 -0.012 0.000 0.768 42 P CB 0.699 32.415 31.700 0.026 0.000 0.842 43 E N 3.423 123.494 120.200 -0.216 0.000 2.222 43 E HA 0.449 4.798 4.350 -0.002 0.000 0.267 43 E C -2.329 174.109 176.600 -0.270 0.000 0.963 43 E CA -2.233 53.984 56.400 -0.304 0.000 0.837 43 E CB 0.561 29.849 29.700 -0.687 0.000 1.183 43 E HN 0.320 nan 8.360 nan 0.000 0.403 44 P HA 0.152 nan 4.420 nan 0.000 0.275 44 P C -2.365 174.688 177.300 -0.412 0.000 1.227 44 P CA -1.007 61.945 63.100 -0.247 0.000 0.781 44 P CB 0.083 31.755 31.700 -0.047 0.000 0.906 45 P HA 0.083 nan 4.420 nan 0.000 0.274 45 P C -0.428 176.695 177.300 -0.294 0.000 1.237 45 P CA -0.072 62.780 63.100 -0.413 0.000 0.793 45 P CB 0.704 32.197 31.700 -0.346 0.000 0.977 46 E N 0.390 120.534 120.200 -0.093 0.000 2.373 46 E HA 0.134 4.483 4.350 -0.002 0.000 0.267 46 E C 0.237 176.917 176.600 0.133 0.000 1.032 46 E CA -0.357 56.050 56.400 0.011 0.000 0.889 46 E CB 0.619 30.346 29.700 0.046 0.000 0.984 46 E HN 0.286 nan 8.360 nan 0.000 0.425 47 V N 0.411 120.377 119.914 0.087 0.000 2.924 47 V HA 0.413 4.532 4.120 -0.002 0.000 0.305 47 V C -0.357 175.834 176.094 0.162 0.000 1.073 47 V CA -0.466 61.843 62.300 0.016 0.000 1.098 47 V CB 0.048 31.844 31.823 -0.046 0.000 1.000 47 V HN 0.682 nan 8.190 nan 0.000 0.484 48 W N 2.318 123.676 121.300 0.096 0.000 2.819 48 W HA 0.761 5.420 4.660 -0.001 0.000 0.337 48 W C 0.445 177.006 176.519 0.069 0.000 1.077 48 W CA -0.409 56.979 57.345 0.073 0.000 1.226 48 W CB 1.306 30.812 29.460 0.075 0.000 1.419 48 W HN 0.764 nan 8.180 nan 0.000 0.502 49 E N 0.399 120.733 120.200 0.223 0.000 2.452 49 E HA -0.032 4.317 4.350 -0.002 0.000 0.197 49 E C 0.218 176.923 176.600 0.175 0.000 1.022 49 E CA 0.126 56.601 56.400 0.125 0.000 0.890 49 E CB 0.105 29.856 29.700 0.085 0.000 0.918 49 E HN 0.529 nan 8.360 nan 0.000 0.496 50 D N 0.892 121.454 120.400 0.271 0.000 2.539 50 D HA 0.156 4.795 4.640 -0.002 0.000 0.280 50 D C -0.033 176.448 176.300 0.303 0.000 1.208 50 D CA -0.839 53.293 54.000 0.220 0.000 1.088 50 D CB 0.960 41.854 40.800 0.157 0.000 1.149 50 D HN -0.105 nan 8.370 nan 0.000 0.596 51 V N 0.713 120.749 119.914 0.203 0.000 2.383 51 V HA 0.165 4.284 4.120 -0.002 0.000 0.275 51 V C 0.033 176.206 176.094 0.132 0.000 1.036 51 V CA -0.860 61.562 62.300 0.204 0.000 0.889 51 V CB 0.723 32.631 31.823 0.141 0.000 0.985 51 V HN 0.372 nan 8.190 nan 0.000 0.459 52 L N 4.747 126.044 121.223 0.123 0.000 2.319 52 L HA 0.434 4.774 4.340 -0.002 0.000 0.280 52 L C 0.182 177.058 176.870 0.009 0.000 1.099 52 L CA 0.147 54.937 54.840 -0.084 0.000 0.828 52 L CB 0.980 42.796 42.059 -0.405 0.000 1.150 52 L HN 0.656 nan 8.230 nan 0.000 0.442 53 D N 4.516 124.900 120.400 -0.027 0.000 2.358 53 D HA 0.274 4.913 4.640 -0.002 0.000 0.258 53 D C -0.319 175.976 176.300 -0.009 0.000 1.223 53 D CA 0.248 54.244 54.000 -0.006 0.000 0.886 53 D CB 1.089 41.870 40.800 -0.031 0.000 1.120 53 D HN 0.664 nan 8.370 nan 0.000 0.482 54 A N 3.222 126.072 122.820 0.049 0.000 3.219 54 A HA 0.297 4.616 4.320 -0.002 0.000 0.314 54 A C 0.887 178.460 177.584 -0.019 0.000 1.081 54 A CA -0.387 51.689 52.037 0.065 0.000 0.995 54 A CB -0.252 18.900 19.000 0.254 0.000 1.067 54 A HN 0.519 nan 8.150 nan 0.000 0.533 55 T N -3.622 110.880 114.554 -0.087 0.000 3.084 55 T HA 0.610 4.959 4.350 -0.002 0.000 0.270 55 T C 0.341 174.916 174.700 -0.208 0.000 1.008 55 T CA 0.531 62.541 62.100 -0.150 0.000 0.900 55 T CB 0.270 69.067 68.868 -0.118 0.000 1.084 55 T HN 1.082 nan 8.240 nan 0.000 0.538 56 A N 0.638 123.333 122.820 -0.209 0.000 2.486 56 A HA 0.688 5.007 4.320 -0.002 0.000 0.300 56 A C -1.325 176.130 177.584 -0.215 0.000 1.048 56 A CA -0.972 50.923 52.037 -0.237 0.000 0.696 56 A CB 0.946 19.860 19.000 -0.145 0.000 1.278 56 A HN 0.252 nan 8.150 nan 0.000 0.405 57 Y N 1.006 121.258 120.300 -0.080 0.000 2.480 57 Y HA 0.367 4.916 4.550 -0.002 0.000 0.338 57 Y C 1.504 177.275 175.900 -0.215 0.000 1.220 57 Y CA 1.177 59.218 58.100 -0.098 0.000 1.430 57 Y CB 0.541 38.990 38.460 -0.019 0.000 1.311 57 Y HN 0.843 nan 8.280 nan 0.000 0.575 58 G N 2.455 111.150 108.800 -0.175 0.000 2.588 58 G HA2 0.451 4.410 3.960 -0.002 0.000 0.281 58 G HA3 0.451 4.410 3.960 -0.002 0.000 0.281 58 G C -2.650 172.117 174.900 -0.222 0.000 1.236 58 G CA -1.500 43.267 45.100 -0.555 0.000 0.969 58 G HN 0.381 nan 8.290 nan 0.000 0.504 59 P HA 0.254 nan 4.420 nan 0.000 0.272 59 P C 0.149 177.427 177.300 -0.036 0.000 1.230 59 P CA -0.392 62.658 63.100 -0.084 0.000 0.788 59 P CB 0.971 32.630 31.700 -0.067 0.000 0.949 60 V N -0.890 118.973 119.914 -0.085 0.000 2.966 60 V HA 0.411 4.530 4.120 -0.002 0.000 0.317 60 V C 0.085 176.107 176.094 -0.120 0.000 1.070 60 V CA -0.975 61.272 62.300 -0.089 0.000 1.008 60 V CB 1.234 32.977 31.823 -0.132 0.000 1.070 60 V HN 0.680 nan 8.190 nan 0.000 0.457 61 C N 4.137 123.359 119.300 -0.129 0.000 2.653 61 C HA 0.417 4.876 4.460 -0.002 0.000 0.421 61 C C -1.989 172.883 174.990 -0.196 0.000 1.334 61 C CA -0.652 58.249 59.018 -0.196 0.000 1.885 61 C CB -0.174 27.474 27.740 -0.153 0.000 2.645 61 C HN 0.915 nan 8.230 nan 0.000 0.601 62 P HA 0.182 nan 4.420 nan 0.000 0.265 62 P C -1.057 176.271 177.300 0.047 0.000 1.193 62 P CA 0.717 63.728 63.100 -0.148 0.000 0.765 62 P CB 0.266 31.825 31.700 -0.234 0.000 0.823 63 Q N 1.878 121.709 119.800 0.051 0.000 2.756 63 Q HA 0.554 4.893 4.340 -0.002 0.000 0.295 63 Q C -3.179 172.852 176.000 0.052 0.000 0.903 63 Q CA -2.146 53.708 55.803 0.085 0.000 0.768 63 Q CB 0.197 28.936 28.738 0.001 0.000 1.472 63 Q HN 0.062 nan 8.270 nan 0.000 0.416 64 P HA 0.060 nan 4.420 nan 0.000 0.272 64 P C -0.067 177.228 177.300 -0.009 0.000 1.230 64 P CA -0.237 62.897 63.100 0.058 0.000 0.788 64 P CB 0.735 32.508 31.700 0.123 0.000 0.949 65 S N 0.145 115.837 115.700 -0.014 0.000 2.650 65 S HA -0.038 4.431 4.470 -0.002 0.000 0.219 65 S C 0.837 175.413 174.600 -0.040 0.000 0.960 65 S CA 0.379 58.556 58.200 -0.040 0.000 0.925 65 S CB -1.027 62.151 63.200 -0.037 0.000 0.775 65 S HN 0.310 nan 8.310 nan 0.000 0.525 66 D N 1.396 121.775 120.400 -0.036 0.000 2.133 66 D HA -0.146 4.493 4.640 -0.002 0.000 0.192 66 D C 1.614 177.881 176.300 -0.055 0.000 1.001 66 D CA 1.241 55.219 54.000 -0.038 0.000 0.844 66 D CB -0.095 40.688 40.800 -0.028 0.000 0.944 66 D HN 0.393 nan 8.370 nan 0.000 0.447 67 L N -0.355 120.818 121.223 -0.083 0.000 2.253 67 L HA 0.183 4.522 4.340 -0.002 0.000 0.205 67 L C 1.761 178.614 176.870 -0.027 0.000 1.078 67 L CA 0.918 55.716 54.840 -0.069 0.000 0.805 67 L CB -0.301 41.700 42.059 -0.098 0.000 0.963 67 L HN 0.036 nan 8.230 nan 0.000 0.459 68 L N -0.196 121.014 121.223 -0.021 0.000 2.042 68 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 68 L C 2.650 179.557 176.870 0.061 0.000 1.076 68 L CA 1.659 56.523 54.840 0.041 0.000 0.749 68 L CB -1.005 40.990 42.059 -0.106 0.000 0.893 68 L HN 0.507 nan 8.230 nan 0.000 0.432 69 S N -0.314 115.385 115.700 -0.003 0.000 2.419 69 S HA -0.101 4.368 4.470 -0.002 0.000 0.233 69 S C 1.821 176.422 174.600 0.001 0.000 1.016 69 S CA 0.863 59.061 58.200 -0.003 0.000 0.974 69 S CB -0.397 62.791 63.200 -0.019 0.000 0.786 69 S HN 0.414 nan 8.310 nan 0.000 0.492 70 L N 0.590 121.807 121.223 -0.010 0.000 2.298 70 L HA 0.196 4.535 4.340 -0.002 0.000 0.209 70 L C 2.899 179.731 176.870 -0.062 0.000 1.084 70 L CA 0.874 55.693 54.840 -0.035 0.000 0.816 70 L CB -0.398 41.634 42.059 -0.046 0.000 0.967 70 L HN 0.424 nan 8.230 nan 0.000 0.460 71 S N -1.192 114.475 115.700 -0.055 0.000 2.425 71 S HA 0.032 4.501 4.470 -0.002 0.000 0.225 71 S C 0.464 174.915 174.600 -0.248 0.000 1.024 71 S CA 0.287 58.378 58.200 -0.181 0.000 0.951 71 S CB 0.060 63.127 63.200 -0.220 0.000 0.796 71 S HN 0.171 nan 8.310 nan 0.000 0.498 72 Y N 0.880 121.098 120.300 -0.138 0.000 2.457 72 Y HA 0.377 4.926 4.550 -0.002 0.000 0.333 72 Y C 1.743 177.589 175.900 -0.091 0.000 1.119 72 Y CA -0.245 57.785 58.100 -0.117 0.000 1.143 72 Y CB 1.550 39.946 38.460 -0.107 0.000 1.230 72 Y HN 0.108 nan 8.280 nan 0.000 0.469 73 T N -2.975 111.630 114.554 0.085 0.000 3.044 73 T HA 0.080 4.429 4.350 -0.002 0.000 0.255 73 T C -0.043 174.683 174.700 0.042 0.000 1.073 73 T CA 0.188 62.306 62.100 0.030 0.000 1.125 73 T CB -0.148 68.718 68.868 -0.004 0.000 0.908 73 T HN 0.667 nan 8.240 nan 0.000 0.480 74 E N 1.911 122.162 120.200 0.084 0.000 2.255 74 E HA 0.508 4.857 4.350 -0.002 0.000 0.256 74 E C -0.970 175.630 176.600 -0.000 0.000 0.887 74 E CA -0.874 55.548 56.400 0.036 0.000 0.782 74 E CB 1.261 30.979 29.700 0.030 0.000 1.214 74 E HN 0.241 nan 8.360 nan 0.000 0.417 75 L N 4.356 125.522 121.223 -0.095 0.000 2.559 75 L HA 0.123 4.462 4.340 -0.002 0.000 0.282 75 L C -1.420 175.251 176.870 -0.332 0.000 1.232 75 L CA -1.029 53.648 54.840 -0.272 0.000 0.885 75 L CB -0.283 41.662 42.059 -0.191 0.000 1.131 75 L HN 0.500 nan 8.230 nan 0.000 0.498 76 P HA 0.176 nan 4.420 nan 0.000 0.278 76 P C -0.930 176.213 177.300 -0.262 0.000 1.258 76 P CA -0.840 62.018 63.100 -0.403 0.000 0.811 76 P CB 0.884 32.233 31.700 -0.586 0.000 1.063 77 R N 1.221 121.618 120.500 -0.173 0.000 2.490 77 R HA 0.148 4.487 4.340 -0.002 0.000 0.280 77 R C -0.184 176.031 176.300 -0.141 0.000 1.077 77 R CA -0.085 55.934 56.100 -0.134 0.000 1.065 77 R CB 0.348 30.587 30.300 -0.102 0.000 1.003 77 R HN 0.468 nan 8.270 nan 0.000 0.470 78 Q N 1.596 121.320 119.800 -0.127 0.000 2.282 78 Q HA 0.384 4.723 4.340 -0.002 0.000 0.260 78 Q C -1.243 174.684 176.000 -0.122 0.000 0.964 78 Q CA -0.560 55.165 55.803 -0.131 0.000 0.880 78 Q CB 2.312 30.976 28.738 -0.123 0.000 1.286 78 Q HN 0.596 nan 8.270 nan 0.000 0.445 79 S N 0.835 116.447 115.700 -0.147 0.000 2.558 79 S HA 0.107 4.576 4.470 -0.002 0.000 0.277 79 S C -0.158 174.310 174.600 -0.220 0.000 1.143 79 S CA -0.547 57.563 58.200 -0.150 0.000 0.865 79 S CB 1.304 64.452 63.200 -0.086 0.000 1.102 79 S HN 0.738 nan 8.310 nan 0.000 0.454 80 E N 1.037 121.074 120.200 -0.271 0.000 2.265 80 E HA -0.108 4.241 4.350 -0.002 0.000 0.196 80 E C -0.195 176.290 176.600 -0.191 0.000 0.996 80 E CA 0.633 56.827 56.400 -0.343 0.000 0.832 80 E CB 0.074 29.599 29.700 -0.291 0.000 0.756 80 E HN 0.512 nan 8.360 nan 0.000 0.491 81 D N 0.354 120.689 120.400 -0.108 0.000 2.508 81 D HA -0.012 4.627 4.640 -0.002 0.000 0.224 81 D C 0.100 176.441 176.300 0.068 0.000 1.171 81 D CA -0.233 53.743 54.000 -0.040 0.000 1.006 81 D CB -0.094 40.714 40.800 0.012 0.000 1.073 81 D HN 0.151 nan 8.370 nan 0.000 0.513 82 C N 2.173 121.466 119.300 -0.011 0.000 3.911 82 C HA 0.377 4.836 4.460 -0.002 0.000 0.318 82 C C 0.749 175.762 174.990 0.037 0.000 1.643 82 C CA -0.667 58.419 59.018 0.113 0.000 1.845 82 C CB -1.259 26.474 27.740 -0.012 0.000 2.981 82 C HN 0.406 nan 8.230 nan 0.000 0.656 83 L N 2.536 123.539 121.223 -0.367 0.000 2.415 83 L HA 0.366 4.705 4.340 -0.002 0.000 0.269 83 L C -0.931 175.451 176.870 -0.813 0.000 1.244 83 L CA 0.542 55.030 54.840 -0.586 0.000 1.113 83 L CB -0.790 40.720 42.059 -0.914 0.000 1.352 83 L HN 0.374 nan 8.230 nan 0.000 0.433 84 Y N 0.395 120.740 120.300 0.075 0.000 2.536 84 Y HA 0.601 5.150 4.550 -0.002 0.000 0.347 84 Y C 0.176 176.197 175.900 0.201 0.000 1.000 84 Y CA -1.172 57.005 58.100 0.127 0.000 1.051 84 Y CB 2.132 40.619 38.460 0.046 0.000 1.259 84 Y HN 0.109 nan 8.280 nan 0.000 0.468 85 V N -0.453 119.568 119.914 0.178 0.000 2.919 85 V HA 0.708 4.827 4.120 -0.002 0.000 0.316 85 V C -1.015 175.104 176.094 0.041 0.000 1.077 85 V CA -0.917 61.372 62.300 -0.018 0.000 0.977 85 V CB 2.096 33.658 31.823 -0.435 0.000 1.039 85 V HN 0.804 nan 8.190 nan 0.000 0.441 86 N N 1.161 119.930 118.700 0.116 0.000 2.225 86 N HA 0.700 5.439 4.740 -0.002 0.000 0.298 86 N C -1.439 174.143 175.510 0.120 0.000 1.076 86 N CA -0.377 52.758 53.050 0.141 0.000 0.792 86 N CB 2.479 41.158 38.487 0.321 0.000 1.498 86 N HN 0.619 nan 8.380 nan 0.000 0.474 87 V N 2.000 121.932 119.914 0.030 0.000 2.540 87 V HA 0.544 4.663 4.120 -0.002 0.000 0.302 87 V C -1.094 175.076 176.094 0.126 0.000 1.035 87 V CA -0.636 61.753 62.300 0.147 0.000 0.873 87 V CB 0.939 32.758 31.823 -0.006 0.000 0.992 87 V HN 0.477 nan 8.190 nan 0.000 0.428 88 F N 2.986 123.142 119.950 0.344 0.000 2.477 88 F HA 0.834 5.360 4.527 -0.002 0.000 0.335 88 F C 0.363 176.351 175.800 0.313 0.000 1.130 88 F CA -0.530 57.651 58.000 0.301 0.000 0.948 88 F CB 1.973 41.103 39.000 0.216 0.000 1.154 88 F HN 0.569 nan 8.300 nan 0.000 0.439 89 A N 4.734 127.854 122.820 0.500 0.000 2.414 89 A HA 0.863 5.182 4.320 -0.002 0.000 0.306 89 A C -2.948 174.794 177.584 0.264 0.000 1.054 89 A CA -1.954 50.341 52.037 0.430 0.000 0.724 89 A CB 1.834 21.200 19.000 0.609 0.000 1.267 89 A HN 0.374 nan 8.150 nan 0.000 0.418 90 P HA 0.110 nan 4.420 nan 0.000 0.275 90 P C -0.989 176.312 177.300 0.003 0.000 1.227 90 P CA 0.024 63.158 63.100 0.056 0.000 0.781 90 P CB 0.916 32.657 31.700 0.069 0.000 0.906 91 D N 2.359 122.642 120.400 -0.195 0.000 2.402 91 D HA 0.208 4.847 4.640 -0.002 0.000 0.235 91 D C -0.699 175.615 176.300 0.024 0.000 1.226 91 D CA 0.454 54.337 54.000 -0.196 0.000 0.918 91 D CB -0.402 40.196 40.800 -0.338 0.000 1.043 91 D HN 0.166 nan 8.370 nan 0.000 0.506 92 T N 3.539 118.162 114.554 0.115 0.000 2.894 92 T HA 0.320 4.669 4.350 -0.002 0.000 0.309 92 T C -1.847 172.917 174.700 0.107 0.000 1.208 92 T CA -0.911 61.243 62.100 0.091 0.000 1.016 92 T CB 1.963 70.874 68.868 0.072 0.000 1.192 92 T HN 0.044 nan 8.240 nan 0.000 0.491 93 P HA 0.134 nan 4.420 nan 0.000 0.229 93 P C 0.063 177.402 177.300 0.064 0.000 1.160 93 P CA 0.299 63.442 63.100 0.070 0.000 0.777 93 P CB 0.190 31.921 31.700 0.052 0.000 0.814 94 S N 0.605 116.343 115.700 0.064 0.000 2.549 94 S HA 0.094 4.563 4.470 -0.002 0.000 0.286 94 S C 0.345 174.984 174.600 0.065 0.000 1.314 94 S CA -0.009 58.224 58.200 0.056 0.000 1.062 94 S CB 0.321 63.552 63.200 0.051 0.000 0.865 94 S HN 0.143 nan 8.310 nan 0.000 0.498 95 Q N 1.072 120.902 119.800 0.050 0.000 2.385 95 Q HA 0.403 4.742 4.340 -0.002 0.000 0.262 95 Q C -0.303 175.722 176.000 0.042 0.000 1.050 95 Q CA -1.166 54.667 55.803 0.050 0.000 0.903 95 Q CB 0.540 29.299 28.738 0.035 0.000 1.325 95 Q HN 0.644 nan 8.270 nan 0.000 0.485 96 N N 0.549 119.272 118.700 0.038 0.000 2.705 96 N HA -0.195 4.544 4.740 -0.002 0.000 0.255 96 N C -1.113 174.417 175.510 0.034 0.000 1.008 96 N CA 0.724 53.792 53.050 0.029 0.000 0.742 96 N CB -1.473 37.023 38.487 0.015 0.000 0.906 96 N HN 0.428 nan 8.380 nan 0.000 0.541 97 L N 0.031 121.286 121.223 0.052 0.000 2.417 97 L HA 0.314 4.653 4.340 -0.002 0.000 0.268 97 L C -1.586 175.310 176.870 0.044 0.000 1.158 97 L CA -1.558 53.314 54.840 0.053 0.000 0.819 97 L CB 0.184 42.293 42.059 0.083 0.000 1.112 97 L HN -0.139 nan 8.230 nan 0.000 0.458 98 P HA 0.062 nan 4.420 nan 0.000 0.269 98 P C -1.035 176.286 177.300 0.035 0.000 1.215 98 P CA -0.105 63.000 63.100 0.008 0.000 0.780 98 P CB 0.760 32.444 31.700 -0.026 0.000 0.898 99 V N 3.837 123.776 119.914 0.041 0.000 2.487 99 V HA 0.410 4.529 4.120 -0.002 0.000 0.298 99 V C 0.006 176.146 176.094 0.077 0.000 1.028 99 V CA -0.327 62.021 62.300 0.080 0.000 0.860 99 V CB 1.441 33.324 31.823 0.100 0.000 0.991 99 V HN 0.464 nan 8.190 nan 0.000 0.427 100 M N 4.889 124.549 119.600 0.099 0.000 2.114 100 M HA 0.525 5.004 4.480 -0.002 0.000 0.332 100 M C -1.079 175.462 176.300 0.401 0.000 1.014 100 M CA -0.615 54.744 55.300 0.098 0.000 0.956 100 M CB 1.930 34.400 32.600 -0.216 0.000 1.551 100 M HN 0.365 nan 8.290 nan 0.000 0.427 101 V N 3.535 123.723 119.914 0.456 0.000 2.347 101 V HA 0.293 4.412 4.120 -0.002 0.000 0.280 101 V C -0.632 175.739 176.094 0.462 0.000 1.021 101 V CA -0.635 61.916 62.300 0.419 0.000 0.847 101 V CB 1.241 33.188 31.823 0.206 0.000 0.990 101 V HN 0.846 nan 8.190 nan 0.000 0.444 102 W N 6.694 128.057 121.300 0.105 0.000 2.316 102 W HA 0.486 5.145 4.660 -0.002 0.000 0.311 102 W C -1.319 175.073 176.519 -0.212 0.000 1.217 102 W CA -0.709 56.424 57.345 -0.353 0.000 1.199 102 W CB 1.217 30.462 29.460 -0.359 0.000 1.202 102 W HN 0.344 nan 8.180 nan 0.000 0.528 103 I N 7.778 127.693 120.570 -1.091 0.000 2.390 103 I HA 0.055 4.224 4.170 -0.002 0.000 0.283 103 I C 0.870 176.201 176.117 -1.310 0.000 1.016 103 I CA -0.701 60.077 61.300 -0.869 0.000 1.151 103 I CB 0.381 37.995 38.000 -0.642 0.000 1.293 103 I HN 0.455 nan 8.210 nan 0.000 0.458 104 H N 4.436 123.014 119.070 -0.820 0.000 2.679 104 H HA 0.472 5.027 4.556 -0.002 0.000 0.369 104 H C 0.048 175.231 175.328 -0.242 0.000 1.178 104 H CA -0.339 55.370 56.048 -0.565 0.000 1.419 104 H CB 1.233 30.925 29.762 -0.116 0.000 1.458 104 H HN 0.590 nan 8.280 nan 0.000 0.605 105 G N -1.360 107.444 108.800 0.006 0.000 2.532 105 G HA2 0.458 4.417 3.960 -0.002 0.000 0.291 105 G HA3 0.458 4.417 3.960 -0.002 0.000 0.291 105 G C 0.332 175.317 174.900 0.142 0.000 1.349 105 G CA -0.685 44.406 45.100 -0.015 0.000 1.038 105 G HN 1.168 nan 8.290 nan 0.000 0.518 106 G N -2.808 106.012 108.800 0.033 0.000 2.332 106 G HA2 0.403 4.362 3.960 -0.002 0.000 0.216 106 G HA3 0.403 4.362 3.960 -0.002 0.000 0.216 106 G C 0.646 175.553 174.900 0.010 0.000 1.041 106 G CA 0.918 46.033 45.100 0.024 0.000 0.836 106 G HN 2.274 nan 8.290 nan 0.000 0.530 107 A N -1.061 121.768 122.820 0.016 0.000 2.798 107 A HA -0.022 4.297 4.320 -0.002 0.000 0.282 107 A C 1.338 179.138 177.584 0.360 0.000 1.464 107 A CA 1.462 53.619 52.037 0.200 0.000 0.844 107 A CB -2.267 17.024 19.000 0.484 0.000 1.006 107 A HN 1.922 nan 8.150 nan 0.000 0.577 108 F N -5.193 114.837 119.950 0.133 0.000 2.953 108 F HA -0.344 4.182 4.527 -0.002 0.000 0.292 108 F C 0.770 176.654 175.800 0.139 0.000 0.747 108 F CA 2.450 60.407 58.000 -0.071 0.000 1.222 108 F CB -2.389 36.294 39.000 -0.527 0.000 1.457 108 F HN 1.386 nan 8.300 nan 0.000 0.383 109 Y N -2.108 118.276 120.300 0.141 0.000 2.729 109 Y HA 0.721 5.270 4.550 -0.002 0.000 0.266 109 Y C -0.348 175.602 175.900 0.084 0.000 1.064 109 Y CA -0.904 57.248 58.100 0.086 0.000 1.251 109 Y CB -0.046 38.518 38.460 0.173 0.000 1.379 109 Y HN -0.056 nan 8.280 nan 0.000 0.569 110 L N 0.897 121.952 121.223 -0.280 0.000 2.327 110 L HA 0.926 5.265 4.340 -0.002 0.000 0.258 110 L C 0.248 177.070 176.870 -0.081 0.000 1.024 110 L CA -0.780 53.877 54.840 -0.305 0.000 0.825 110 L CB 2.105 43.855 42.059 -0.516 0.000 1.386 110 L HN 0.349 nan 8.230 nan 0.000 0.417 111 G N 0.670 109.394 108.800 -0.128 0.000 2.592 111 G HA2 0.426 4.385 3.960 -0.002 0.000 0.684 111 G HA3 0.426 4.385 3.960 -0.002 0.000 0.684 111 G C -1.325 173.236 174.900 -0.564 0.000 1.291 111 G CA -0.193 44.755 45.100 -0.253 0.000 0.891 111 G HN 1.305 nan 8.290 nan 0.000 0.544 112 A N -1.544 120.724 122.820 -0.920 0.000 2.594 112 A HA 0.904 5.223 4.320 -0.002 0.000 0.296 112 A C 0.994 178.373 177.584 -0.342 0.000 1.056 112 A CA 0.624 52.297 52.037 -0.606 0.000 0.693 112 A CB 0.883 19.776 19.000 -0.178 0.000 1.278 112 A HN 2.477 nan 8.150 nan 0.000 0.408 113 G N 0.243 109.036 108.800 -0.012 0.000 2.471 113 G HA2 0.056 4.015 3.960 -0.002 0.000 0.219 113 G HA3 0.056 4.015 3.960 -0.002 0.000 0.219 113 G C 1.109 176.081 174.900 0.119 0.000 1.125 113 G CA 1.587 46.823 45.100 0.226 0.000 0.775 113 G HN 1.610 nan 8.290 nan 0.000 0.548 114 S N -0.002 115.627 115.700 -0.119 0.000 2.660 114 S HA 0.263 4.732 4.470 -0.002 0.000 0.227 114 S C 0.313 174.655 174.600 -0.430 0.000 0.948 114 S CA -0.444 57.458 58.200 -0.497 0.000 0.948 114 S CB 0.149 62.715 63.200 -1.056 0.000 0.779 114 S HN 0.480 nan 8.310 nan 0.000 0.487 115 E N 2.382 122.388 120.200 -0.323 0.000 2.413 115 E HA 0.090 4.439 4.350 -0.002 0.000 0.263 115 E C -1.668 174.500 176.600 -0.720 0.000 1.015 115 E CA -1.767 54.217 56.400 -0.694 0.000 0.916 115 E CB 0.380 29.656 29.700 -0.707 0.000 0.947 115 E HN 0.113 nan 8.360 nan 0.000 0.440 116 P HA -0.228 nan 4.420 nan 0.000 0.216 116 P C 1.245 178.217 177.300 -0.547 0.000 1.154 116 P CA 0.858 63.648 63.100 -0.516 0.000 0.865 116 P CB 0.139 31.556 31.700 -0.472 0.000 0.789 117 L N -1.820 118.947 121.223 -0.759 0.000 2.187 117 L HA -0.157 4.182 4.340 -0.002 0.000 0.213 117 L C 1.297 177.536 176.870 -1.050 0.000 1.100 117 L CA 1.861 56.196 54.840 -0.843 0.000 0.765 117 L CB -1.285 40.183 42.059 -0.985 0.000 0.904 117 L HN 0.018 nan 8.230 nan 0.000 0.437 118 Y N -0.932 118.832 120.300 -0.892 0.000 2.532 118 Y HA 0.244 4.793 4.550 -0.002 0.000 0.283 118 Y C 0.695 176.179 175.900 -0.693 0.000 1.181 118 Y CA -1.512 55.786 58.100 -1.335 0.000 1.256 118 Y CB -1.234 36.641 38.460 -0.974 0.000 1.112 118 Y HN 0.146 nan 8.280 nan 0.000 0.521 119 D N 0.917 121.097 120.400 -0.366 0.000 2.434 119 D HA -0.008 4.631 4.640 -0.002 0.000 0.252 119 D C 1.201 177.239 176.300 -0.437 0.000 1.185 119 D CA 0.548 54.373 54.000 -0.291 0.000 0.886 119 D CB 1.396 42.113 40.800 -0.138 0.000 1.148 119 D HN 0.499 nan 8.370 nan 0.000 0.483 120 G N 2.688 110.772 108.800 -1.193 0.000 3.233 120 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.227 120 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.227 120 G C 1.418 176.009 174.900 -0.515 0.000 1.175 120 G CA -0.154 44.470 45.100 -0.793 0.000 0.781 120 G HN 0.444 nan 8.290 nan 0.000 0.542 121 S N 0.854 116.323 115.700 -0.384 0.000 2.359 121 S HA -0.113 4.356 4.470 -0.002 0.000 0.224 121 S C 2.269 176.857 174.600 -0.019 0.000 1.035 121 S CA 1.155 59.345 58.200 -0.016 0.000 1.018 121 S CB -0.101 63.138 63.200 0.066 0.000 0.876 121 S HN 0.453 nan 8.310 nan 0.000 0.448 122 K N 0.509 120.878 120.400 -0.052 0.000 2.057 122 K HA -0.009 4.310 4.320 -0.002 0.000 0.206 122 K C 2.134 178.704 176.600 -0.049 0.000 1.050 122 K CA 0.885 57.147 56.287 -0.042 0.000 0.935 122 K CB -0.359 32.110 32.500 -0.053 0.000 0.715 122 K HN 0.155 nan 8.250 nan 0.000 0.439 123 L N 1.230 122.408 121.223 -0.075 0.000 2.017 123 L HA -0.123 4.216 4.340 -0.002 0.000 0.208 123 L C 2.222 179.067 176.870 -0.041 0.000 1.073 123 L CA 1.781 56.563 54.840 -0.096 0.000 0.745 123 L CB -0.701 41.257 42.059 -0.168 0.000 0.894 123 L HN 0.124 nan 8.230 nan 0.000 0.432 124 A N -0.555 122.267 122.820 0.003 0.000 1.877 124 A HA -0.120 4.199 4.320 -0.002 0.000 0.216 124 A C 2.440 180.052 177.584 0.047 0.000 1.186 124 A CA 2.003 54.079 52.037 0.065 0.000 0.620 124 A CB -1.220 17.875 19.000 0.159 0.000 0.822 124 A HN 0.568 nan 8.150 nan 0.000 0.443 125 A N -0.837 122.001 122.820 0.030 0.000 1.873 125 A HA -0.192 4.127 4.320 -0.002 0.000 0.215 125 A C 2.140 179.728 177.584 0.008 0.000 1.186 125 A CA 1.669 53.716 52.037 0.016 0.000 0.616 125 A CB -0.588 18.416 19.000 0.007 0.000 0.823 125 A HN 0.641 nan 8.150 nan 0.000 0.442 126 Q N -1.177 118.621 119.800 -0.003 0.000 2.172 126 Q HA -0.027 4.312 4.340 -0.002 0.000 0.200 126 Q C 1.910 177.903 176.000 -0.011 0.000 0.964 126 Q CA 1.057 56.858 55.803 -0.004 0.000 0.855 126 Q CB -0.192 28.538 28.738 -0.014 0.000 0.918 126 Q HN 0.661 nan 8.270 nan 0.000 0.444 127 G N -0.219 108.569 108.800 -0.019 0.000 2.986 127 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.213 127 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.213 127 G C 0.030 174.930 174.900 0.000 0.000 1.156 127 G CA -0.122 44.965 45.100 -0.021 0.000 0.763 127 G HN 0.376 nan 8.290 nan 0.000 0.547 128 E N -0.575 119.635 120.200 0.017 0.000 2.320 128 E HA -0.179 4.170 4.350 -0.002 0.000 0.234 128 E C -0.154 176.472 176.600 0.043 0.000 1.183 128 E CA 0.151 56.572 56.400 0.036 0.000 0.713 128 E CB -1.477 28.241 29.700 0.030 0.000 1.226 128 E HN 0.547 nan 8.360 nan 0.000 0.382 129 V N -2.023 117.920 119.914 0.049 0.000 3.102 129 V HA 0.739 4.858 4.120 -0.002 0.000 0.312 129 V C 0.317 176.476 176.094 0.107 0.000 1.135 129 V CA -1.101 61.232 62.300 0.055 0.000 1.022 129 V CB 1.990 33.819 31.823 0.010 0.000 1.056 129 V HN 0.173 nan 8.190 nan 0.000 0.436 130 I N 1.838 122.487 120.570 0.132 0.000 2.353 130 I HA 0.514 4.683 4.170 -0.002 0.000 0.293 130 I C -0.619 175.627 176.117 0.215 0.000 0.992 130 I CA -0.741 60.682 61.300 0.204 0.000 1.268 130 I CB 1.830 39.953 38.000 0.205 0.000 1.387 130 I HN 0.437 nan 8.210 nan 0.000 0.478 131 V N 7.243 127.341 119.914 0.305 0.000 2.417 131 V HA 0.391 4.510 4.120 -0.002 0.000 0.291 131 V C -0.130 176.251 176.094 0.478 0.000 1.024 131 V CA -0.645 61.867 62.300 0.354 0.000 0.861 131 V CB 1.928 33.920 31.823 0.282 0.000 0.985 131 V HN 0.380 nan 8.190 nan 0.000 0.436 132 V N 4.220 124.393 119.914 0.433 0.000 2.448 132 V HA 0.667 4.786 4.120 -0.002 0.000 0.295 132 V C 0.251 176.596 176.094 0.418 0.000 1.025 132 V CA -0.382 62.153 62.300 0.390 0.000 0.859 132 V CB 2.091 34.081 31.823 0.277 0.000 0.988 132 V HN 1.028 nan 8.190 nan 0.000 0.431 133 T N 3.131 117.938 114.554 0.421 0.000 2.932 133 T HA 0.948 5.297 4.350 -0.002 0.000 0.289 133 T C -0.771 174.094 174.700 0.275 0.000 1.039 133 T CA -0.758 61.582 62.100 0.399 0.000 1.024 133 T CB 2.013 71.149 68.868 0.447 0.000 1.090 133 T HN 0.814 nan 8.240 nan 0.000 0.496 134 L N -1.159 120.218 121.223 0.258 0.000 2.671 134 L HA 0.796 5.135 4.340 -0.002 0.000 0.259 134 L C -1.587 175.463 176.870 0.301 0.000 1.021 134 L CA -1.184 53.785 54.840 0.214 0.000 0.871 134 L CB 1.565 43.660 42.059 0.060 0.000 1.472 134 L HN 0.516 nan 8.230 nan 0.000 0.410 135 N N 0.217 119.107 118.700 0.317 0.000 2.370 135 N HA 0.687 5.426 4.740 -0.002 0.000 0.303 135 N C -1.575 174.152 175.510 0.362 0.000 1.103 135 N CA -0.290 52.928 53.050 0.279 0.000 0.848 135 N CB 1.693 40.286 38.487 0.177 0.000 1.235 135 N HN 0.794 nan 8.380 nan 0.000 0.496 136 Y N -2.149 118.290 120.300 0.230 0.000 2.553 136 Y HA 0.558 5.107 4.550 -0.002 0.000 0.347 136 Y C 0.015 176.014 175.900 0.165 0.000 1.019 136 Y CA -1.332 56.881 58.100 0.189 0.000 1.032 136 Y CB 0.941 39.492 38.460 0.151 0.000 1.284 136 Y HN 0.176 nan 8.280 nan 0.000 0.466 137 R N 2.286 122.926 120.500 0.234 0.000 2.538 137 R HA 0.339 4.678 4.340 -0.002 0.000 0.282 137 R C -0.875 175.582 176.300 0.262 0.000 1.009 137 R CA 0.186 56.370 56.100 0.141 0.000 1.063 137 R CB 0.194 30.545 30.300 0.085 0.000 0.945 137 R HN 0.687 nan 8.270 nan 0.000 0.414 138 L N 1.559 122.909 121.223 0.213 0.000 2.286 138 L HA 0.490 4.829 4.340 -0.002 0.000 0.265 138 L C 1.384 178.369 176.870 0.192 0.000 1.012 138 L CA -0.585 54.426 54.840 0.284 0.000 0.818 138 L CB 1.481 43.617 42.059 0.128 0.000 1.337 138 L HN 0.887 nan 8.230 nan 0.000 0.438 139 G N 1.330 110.088 108.800 -0.070 0.000 2.672 139 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.324 139 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.324 139 G C -1.401 172.962 174.900 -0.894 0.000 1.286 139 G CA 0.461 45.036 45.100 -0.874 0.000 1.004 139 G HN 0.600 nan 8.290 nan 0.000 0.548 140 P HA 0.008 nan 4.420 nan 0.000 0.222 140 P C 1.563 178.599 177.300 -0.440 0.000 1.147 140 P CA 1.929 64.729 63.100 -0.499 0.000 0.790 140 P CB -0.186 31.238 31.700 -0.460 0.000 0.780 141 F N -0.143 119.745 119.950 -0.104 0.000 2.473 141 F HA 0.254 4.780 4.527 -0.002 0.000 0.294 141 F C 2.551 178.258 175.800 -0.155 0.000 1.103 141 F CA 1.199 59.101 58.000 -0.163 0.000 1.442 141 F CB -0.953 37.955 39.000 -0.154 0.000 1.097 141 F HN -0.037 nan 8.300 nan 0.000 0.547 142 G N -2.001 106.810 108.800 0.019 0.000 2.833 142 G HA2 0.099 4.058 3.960 -0.002 0.000 0.214 142 G HA3 0.099 4.058 3.960 -0.002 0.000 0.214 142 G C 0.465 174.980 174.900 -0.641 0.000 1.075 142 G CA 0.077 45.063 45.100 -0.191 0.000 0.799 142 G HN 0.263 nan 8.290 nan 0.000 0.541 143 F N 0.166 120.006 119.950 -0.184 0.000 2.814 143 F HA 0.533 5.059 4.527 -0.002 0.000 0.326 143 F C 0.171 175.689 175.800 -0.470 0.000 1.159 143 F CA -0.698 57.121 58.000 -0.300 0.000 1.234 143 F CB 1.289 40.253 39.000 -0.061 0.000 1.016 143 F HN -0.053 nan 8.300 nan 0.000 0.510 144 M N 1.677 121.083 119.600 -0.325 0.000 2.047 144 M HA 0.326 4.805 4.480 -0.002 0.000 0.342 144 M C -0.790 175.321 176.300 -0.315 0.000 1.058 144 M CA -0.460 54.670 55.300 -0.284 0.000 0.991 144 M CB -0.104 32.303 32.600 -0.322 0.000 1.474 144 M HN 0.041 nan 8.290 nan 0.000 0.419 145 H N 7.289 126.378 119.070 0.032 0.000 2.911 145 H HA 0.255 4.810 4.556 -0.002 0.000 0.273 145 H C 0.110 175.474 175.328 0.060 0.000 1.157 145 H CA -0.015 56.060 56.048 0.044 0.000 1.402 145 H CB 0.246 30.041 29.762 0.054 0.000 1.463 145 H HN 0.751 nan 8.280 nan 0.000 0.475 146 L N 1.889 123.185 121.223 0.123 0.000 2.700 146 L HA -0.001 4.338 4.340 -0.002 0.000 0.234 146 L C 2.103 179.185 176.870 0.354 0.000 1.156 146 L CA 0.016 54.968 54.840 0.188 0.000 0.946 146 L CB 0.065 42.043 42.059 -0.135 0.000 1.216 146 L HN 0.458 nan 8.230 nan 0.000 0.493 147 S N -0.368 115.496 115.700 0.274 0.000 2.420 147 S HA -0.224 4.245 4.470 -0.002 0.000 0.237 147 S C 2.155 176.848 174.600 0.156 0.000 1.023 147 S CA 1.494 59.827 58.200 0.222 0.000 0.991 147 S CB -0.495 62.795 63.200 0.150 0.000 0.792 147 S HN 0.591 nan 8.310 nan 0.000 0.488 148 S N 0.324 116.099 115.700 0.125 0.000 2.474 148 S HA 0.075 4.544 4.470 -0.002 0.000 0.235 148 S C 1.312 175.820 174.600 -0.154 0.000 0.997 148 S CA 0.550 58.727 58.200 -0.039 0.000 0.949 148 S CB -0.782 62.348 63.200 -0.117 0.000 0.766 148 S HN 0.557 nan 8.310 nan 0.000 0.517 149 F N 1.330 121.332 119.950 0.085 0.000 2.582 149 F HA 0.422 4.948 4.527 -0.002 0.000 0.290 149 F C 0.763 176.584 175.800 0.034 0.000 1.115 149 F CA 0.062 58.109 58.000 0.078 0.000 1.445 149 F CB 0.485 39.558 39.000 0.121 0.000 1.126 149 F HN 0.195 nan 8.300 nan 0.000 0.574 150 D N -0.539 119.963 120.400 0.170 0.000 2.871 150 D HA 0.062 4.701 4.640 -0.002 0.000 0.209 150 D C 0.345 176.595 176.300 -0.083 0.000 1.292 150 D CA -0.016 53.928 54.000 -0.093 0.000 0.869 150 D CB 1.352 41.845 40.800 -0.512 0.000 1.663 150 D HN -0.151 nan 8.370 nan 0.000 0.557 151 E N 1.809 121.973 120.200 -0.060 0.000 2.333 151 E HA -0.075 4.274 4.350 -0.002 0.000 0.198 151 E C 1.553 178.146 176.600 -0.012 0.000 1.007 151 E CA 0.689 57.083 56.400 -0.010 0.000 0.845 151 E CB 0.098 29.793 29.700 -0.009 0.000 0.766 151 E HN 0.538 nan 8.360 nan 0.000 0.507 152 A N 0.392 123.142 122.820 -0.117 0.000 2.067 152 A HA -0.098 4.221 4.320 -0.002 0.000 0.219 152 A C 0.492 178.121 177.584 0.076 0.000 1.158 152 A CA 0.582 52.572 52.037 -0.079 0.000 0.661 152 A CB -0.263 18.618 19.000 -0.197 0.000 0.801 152 A HN 0.045 nan 8.150 nan 0.000 0.452 153 Y N -0.107 120.278 120.300 0.141 0.000 2.307 153 Y HA 0.542 5.091 4.550 -0.002 0.000 0.324 153 Y C 0.699 176.689 175.900 0.150 0.000 1.238 153 Y CA -1.524 56.681 58.100 0.174 0.000 1.280 153 Y CB 0.748 39.307 38.460 0.165 0.000 1.248 153 Y HN -0.015 nan 8.280 nan 0.000 0.508 154 S N 1.603 117.508 115.700 0.341 0.000 2.532 154 S HA 0.393 4.862 4.470 -0.002 0.000 0.301 154 S C -0.967 173.757 174.600 0.206 0.000 1.083 154 S CA -0.971 57.364 58.200 0.225 0.000 1.025 154 S CB 1.118 64.427 63.200 0.181 0.000 1.056 154 S HN 0.455 nan 8.310 nan 0.000 0.494 155 D N 1.556 122.068 120.400 0.187 0.000 2.387 155 D HA 0.301 4.940 4.640 -0.002 0.000 0.251 155 D C 0.142 176.562 176.300 0.200 0.000 1.141 155 D CA -0.200 53.957 54.000 0.262 0.000 0.987 155 D CB 0.278 41.195 40.800 0.195 0.000 1.116 155 D HN 0.498 nan 8.370 nan 0.000 0.491 156 N N 0.195 119.081 118.700 0.310 0.000 2.727 156 N HA -0.192 4.547 4.740 -0.002 0.000 0.249 156 N C 1.150 176.579 175.510 -0.135 0.000 1.048 156 N CA 0.180 53.267 53.050 0.062 0.000 0.714 156 N CB -1.168 37.373 38.487 0.089 0.000 0.959 156 N HN 0.429 nan 8.380 nan 0.000 0.544 157 L N -0.416 120.691 121.223 -0.193 0.000 2.043 157 L HA -0.196 4.143 4.340 -0.002 0.000 0.212 157 L C 2.631 179.396 176.870 -0.175 0.000 1.075 157 L CA 2.169 56.929 54.840 -0.133 0.000 0.752 157 L CB -0.571 41.435 42.059 -0.088 0.000 0.891 157 L HN 0.450 nan 8.230 nan 0.000 0.432 158 G N -0.035 108.478 108.800 -0.479 0.000 2.442 158 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.219 158 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.219 158 G C 1.610 176.529 174.900 0.032 0.000 1.141 158 G CA 0.647 45.674 45.100 -0.121 0.000 0.763 158 G HN 0.263 nan 8.290 nan 0.000 0.554 159 L N -0.177 121.033 121.223 -0.022 0.000 2.109 159 L HA 0.089 4.428 4.340 -0.002 0.000 0.207 159 L C 2.822 179.718 176.870 0.043 0.000 1.086 159 L CA 0.323 55.191 54.840 0.047 0.000 0.760 159 L CB -0.348 41.773 42.059 0.103 0.000 0.910 159 L HN 0.182 nan 8.230 nan 0.000 0.437 160 L N -0.482 120.766 121.223 0.043 0.000 2.141 160 L HA -0.186 4.153 4.340 -0.002 0.000 0.209 160 L C 2.145 179.085 176.870 0.116 0.000 1.094 160 L CA 0.851 55.737 54.840 0.077 0.000 0.763 160 L CB -0.572 41.532 42.059 0.075 0.000 0.908 160 L HN 0.272 nan 8.230 nan 0.000 0.437 161 D N -0.049 120.431 120.400 0.134 0.000 2.117 161 D HA -0.182 4.457 4.640 -0.002 0.000 0.198 161 D C 2.285 178.724 176.300 0.231 0.000 0.982 161 D CA 1.090 55.239 54.000 0.248 0.000 0.828 161 D CB -0.137 40.836 40.800 0.289 0.000 0.967 161 D HN 0.365 nan 8.370 nan 0.000 0.464 162 Q N 0.393 120.253 119.800 0.100 0.000 2.096 162 Q HA -0.104 4.235 4.340 -0.002 0.000 0.204 162 Q C 2.211 178.218 176.000 0.012 0.000 0.982 162 Q CA 1.571 57.364 55.803 -0.016 0.000 0.850 162 Q CB -0.151 28.498 28.738 -0.149 0.000 0.901 162 Q HN 0.229 nan 8.270 nan 0.000 0.422 163 A N 0.950 123.809 122.820 0.066 0.000 1.933 163 A HA -0.104 4.215 4.320 -0.002 0.000 0.218 163 A C 2.280 179.939 177.584 0.124 0.000 1.175 163 A CA 1.510 53.610 52.037 0.104 0.000 0.628 163 A CB -0.741 18.327 19.000 0.113 0.000 0.814 163 A HN 0.403 nan 8.150 nan 0.000 0.444 164 A N -0.194 122.720 122.820 0.157 0.000 1.933 164 A HA 0.188 4.507 4.320 -0.002 0.000 0.218 164 A C 2.448 180.142 177.584 0.183 0.000 1.175 164 A CA 1.923 54.097 52.037 0.229 0.000 0.628 164 A CB -0.847 18.356 19.000 0.338 0.000 0.814 164 A HN 1.000 nan 8.150 nan 0.000 0.444 165 A N -0.424 122.337 122.820 -0.098 0.000 1.930 165 A HA 0.057 4.376 4.320 -0.002 0.000 0.217 165 A C 2.113 179.703 177.584 0.009 0.000 1.175 165 A CA 1.306 53.089 52.037 -0.423 0.000 0.627 165 A CB -0.494 18.047 19.000 -0.766 0.000 0.815 165 A HN 0.453 nan 8.150 nan 0.000 0.443 166 L N -0.712 120.545 121.223 0.057 0.000 2.141 166 L HA -0.137 4.202 4.340 -0.002 0.000 0.209 166 L C 2.571 179.541 176.870 0.167 0.000 1.094 166 L CA 1.669 56.590 54.840 0.135 0.000 0.763 166 L CB -0.286 41.869 42.059 0.161 0.000 0.908 166 L HN 0.439 nan 8.230 nan 0.000 0.437 167 K N -0.410 120.092 120.400 0.170 0.000 2.057 167 K HA -0.250 4.069 4.320 -0.002 0.000 0.206 167 K C 2.121 178.823 176.600 0.169 0.000 1.050 167 K CA 1.486 57.865 56.287 0.153 0.000 0.935 167 K CB -0.266 32.329 32.500 0.159 0.000 0.715 167 K HN 0.281 nan 8.250 nan 0.000 0.439 168 W N 0.971 122.312 121.300 0.068 0.000 2.358 168 W HA -0.232 4.427 4.660 -0.001 0.000 0.303 168 W C 1.546 178.090 176.519 0.042 0.000 1.208 168 W CA 1.376 58.772 57.345 0.085 0.000 1.274 168 W CB -0.268 29.266 29.460 0.124 0.000 1.138 168 W HN -0.174 nan 8.180 nan 0.000 0.515 169 V N 1.208 121.290 119.914 0.280 0.000 2.295 169 V HA -0.327 3.792 4.120 -0.002 0.000 0.246 169 V C 2.533 178.582 176.094 -0.074 0.000 1.049 169 V CA 2.403 64.759 62.300 0.094 0.000 1.024 169 V CB -1.052 30.897 31.823 0.210 0.000 0.648 169 V HN 0.244 nan 8.190 nan 0.000 0.447 170 R N -0.094 120.400 120.500 -0.009 0.000 2.105 170 R HA -0.170 4.169 4.340 -0.002 0.000 0.239 170 R C 2.135 178.370 176.300 -0.107 0.000 1.135 170 R CA 1.603 57.685 56.100 -0.031 0.000 0.967 170 R CB -0.065 30.241 30.300 0.011 0.000 0.861 170 R HN 0.487 nan 8.270 nan 0.000 0.442 171 E N -0.469 119.627 120.200 -0.173 0.000 2.385 171 E HA -0.017 4.332 4.350 -0.002 0.000 0.194 171 E C 0.809 177.201 176.600 -0.346 0.000 1.013 171 E CA 0.534 56.797 56.400 -0.230 0.000 0.866 171 E CB 0.236 29.806 29.700 -0.218 0.000 0.832 171 E HN 0.467 nan 8.360 nan 0.000 0.500 172 N N -0.091 118.296 118.700 -0.521 0.000 2.297 172 N HA 0.030 4.769 4.740 -0.002 0.000 0.208 172 N C 1.618 176.960 175.510 -0.279 0.000 1.176 172 N CA -0.077 52.633 53.050 -0.566 0.000 0.882 172 N CB 0.505 38.286 38.487 -1.176 0.000 1.134 172 N HN 0.019 nan 8.380 nan 0.000 0.489 173 I N 2.459 122.881 120.570 -0.247 0.000 2.423 173 I HA -0.216 3.953 4.170 -0.002 0.000 0.254 173 I C 2.299 178.456 176.117 0.067 0.000 1.151 173 I CA 1.066 62.358 61.300 -0.014 0.000 1.421 173 I CB -0.307 37.681 38.000 -0.020 0.000 1.079 173 I HN 0.093 nan 8.210 nan 0.000 0.431 174 S N 0.359 116.045 115.700 -0.023 0.000 2.419 174 S HA -0.119 4.350 4.470 -0.002 0.000 0.233 174 S C 2.173 176.741 174.600 -0.054 0.000 1.016 174 S CA 0.796 58.980 58.200 -0.027 0.000 0.974 174 S CB -0.874 62.293 63.200 -0.055 0.000 0.786 174 S HN 0.434 nan 8.310 nan 0.000 0.492 175 A N 0.267 123.018 122.820 -0.116 0.000 2.119 175 A HA 0.299 4.618 4.320 -0.002 0.000 0.217 175 A C 1.397 178.721 177.584 -0.434 0.000 1.153 175 A CA 0.586 52.450 52.037 -0.288 0.000 0.692 175 A CB -0.715 18.032 19.000 -0.422 0.000 0.799 175 A HN 0.585 nan 8.150 nan 0.000 0.458 176 F N -1.248 118.574 119.950 -0.213 0.000 2.695 176 F HA 0.387 4.913 4.527 -0.002 0.000 0.303 176 F C 1.705 177.476 175.800 -0.048 0.000 1.091 176 F CA 0.526 58.379 58.000 -0.246 0.000 1.300 176 F CB 0.452 39.245 39.000 -0.345 0.000 1.071 176 F HN 0.310 nan 8.300 nan 0.000 0.578 177 G N 0.206 109.069 108.800 0.104 0.000 2.144 177 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.218 177 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.218 177 G C 0.518 175.483 174.900 0.108 0.000 0.988 177 G CA -0.308 44.858 45.100 0.109 0.000 0.659 177 G HN 0.713 nan 8.290 nan 0.000 0.522 178 G N -0.775 108.088 108.800 0.105 0.000 2.488 178 G HA2 0.523 4.482 3.960 -0.002 0.000 0.318 178 G HA3 0.523 4.482 3.960 -0.002 0.000 0.318 178 G C -1.036 173.891 174.900 0.045 0.000 1.188 178 G CA 0.111 45.261 45.100 0.083 0.000 0.944 178 G HN 0.202 nan 8.290 nan 0.000 0.495 179 D N 0.499 120.920 120.400 0.037 0.000 2.412 179 D HA 0.283 4.922 4.640 -0.002 0.000 0.224 179 D C -1.159 175.151 176.300 0.017 0.000 1.093 179 D CA -2.319 51.691 54.000 0.018 0.000 0.850 179 D CB 1.923 42.730 40.800 0.012 0.000 1.046 179 D HN 0.037 nan 8.370 nan 0.000 0.507 180 P HA -0.046 nan 4.420 nan 0.000 0.228 180 P C 0.090 177.398 177.300 0.012 0.000 1.151 180 P CA 0.591 63.693 63.100 0.004 0.000 0.770 180 P CB 0.592 32.279 31.700 -0.022 0.000 0.786 181 D N -0.715 119.688 120.400 0.005 0.000 2.363 181 D HA 0.054 4.693 4.640 -0.002 0.000 0.214 181 D C 0.367 176.669 176.300 0.004 0.000 1.093 181 D CA 0.245 54.246 54.000 0.002 0.000 0.837 181 D CB -0.161 40.634 40.800 -0.008 0.000 0.948 181 D HN 0.299 nan 8.370 nan 0.000 0.507 182 N N 0.755 119.461 118.700 0.011 0.000 2.703 182 N HA 0.134 4.873 4.740 -0.002 0.000 0.283 182 N C -1.413 174.109 175.510 0.020 0.000 1.851 182 N CA -0.098 52.952 53.050 -0.001 0.000 0.826 182 N CB 0.976 39.452 38.487 -0.019 0.000 1.239 182 N HN -0.279 nan 8.380 nan 0.000 0.495 183 V N 1.513 121.464 119.914 0.062 0.000 2.394 183 V HA 0.377 4.496 4.120 -0.002 0.000 0.282 183 V C 0.264 176.435 176.094 0.129 0.000 1.031 183 V CA -0.197 62.165 62.300 0.104 0.000 0.881 183 V CB 1.447 33.361 31.823 0.152 0.000 0.982 183 V HN 0.276 nan 8.190 nan 0.000 0.451 184 T N 4.627 119.232 114.554 0.085 0.000 2.758 184 T HA 0.417 4.766 4.350 -0.002 0.000 0.285 184 T C -0.413 174.356 174.700 0.116 0.000 0.981 184 T CA -0.201 61.950 62.100 0.085 0.000 0.965 184 T CB 1.588 70.456 68.868 -0.001 0.000 0.927 184 T HN 0.443 nan 8.240 nan 0.000 0.448 185 V N 6.538 126.471 119.914 0.031 0.000 2.439 185 V HA 0.809 4.928 4.120 -0.002 0.000 0.282 185 V C -1.180 175.023 176.094 0.181 0.000 1.039 185 V CA -0.646 61.640 62.300 -0.023 0.000 0.913 185 V CB 0.221 31.713 31.823 -0.552 0.000 0.983 185 V HN 0.734 nan 8.190 nan 0.000 0.460 186 F N 4.408 124.349 119.950 -0.015 0.000 2.588 186 F HA 1.027 5.553 4.527 -0.002 0.000 0.310 186 F C -0.191 175.542 175.800 -0.113 0.000 1.082 186 F CA -1.277 56.761 58.000 0.062 0.000 0.929 186 F CB 1.538 40.696 39.000 0.263 0.000 1.254 186 F HN 0.778 nan 8.300 nan 0.000 0.455 187 G N 1.131 109.763 108.800 -0.280 0.000 2.601 187 G HA2 0.499 4.458 3.960 -0.002 0.000 0.291 187 G HA3 0.499 4.458 3.960 -0.002 0.000 0.291 187 G C -2.536 172.133 174.900 -0.386 0.000 1.456 187 G CA -0.787 43.756 45.100 -0.928 0.000 0.804 187 G HN 0.868 nan 8.290 nan 0.000 0.499 188 E N 0.164 120.117 120.200 -0.411 0.000 2.317 188 E HA 0.642 4.991 4.350 -0.002 0.000 0.270 188 E C 0.607 177.207 176.600 0.001 0.000 0.885 188 E CA 0.261 56.667 56.400 0.011 0.000 0.760 188 E CB 2.260 32.124 29.700 0.273 0.000 1.227 188 E HN 0.905 nan 8.360 nan 0.000 0.434 189 S N 2.508 118.304 115.700 0.160 0.000 4.139 189 S HA -0.394 4.075 4.470 -0.002 0.000 0.603 189 S C 1.475 176.114 174.600 0.065 0.000 1.897 189 S CA 2.255 60.641 58.200 0.310 0.000 4.241 189 S CB -1.635 61.793 63.200 0.379 0.000 0.221 189 S HN 0.993 nan 8.310 nan 0.000 0.488 190 A N 1.054 123.795 122.820 -0.133 0.000 2.024 190 A HA 0.159 4.478 4.320 -0.002 0.000 0.220 190 A C 2.423 179.723 177.584 -0.474 0.000 1.164 190 A CA 2.389 54.063 52.037 -0.606 0.000 0.643 190 A CB -1.489 16.789 19.000 -1.204 0.000 0.806 190 A HN 1.554 nan 8.150 nan 0.000 0.451 191 G N -0.693 107.889 108.800 -0.363 0.000 2.403 191 G HA2 0.093 4.052 3.960 -0.002 0.000 0.216 191 G HA3 0.093 4.052 3.960 -0.002 0.000 0.216 191 G C 1.447 176.162 174.900 -0.307 0.000 1.154 191 G CA 1.107 45.947 45.100 -0.434 0.000 0.784 191 G HN 0.648 nan 8.290 nan 0.000 0.538 192 G N 0.713 109.405 108.800 -0.181 0.000 2.403 192 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.216 192 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.216 192 G C 1.858 176.695 174.900 -0.105 0.000 1.154 192 G CA 0.749 45.784 45.100 -0.108 0.000 0.784 192 G HN 0.412 nan 8.290 nan 0.000 0.538 193 M N 0.917 120.494 119.600 -0.038 0.000 2.229 193 M HA -0.016 4.463 4.480 -0.002 0.000 0.264 193 M C 2.824 179.168 176.300 0.072 0.000 1.063 193 M CA 1.040 56.364 55.300 0.040 0.000 1.114 193 M CB -0.070 32.660 32.600 0.218 0.000 1.387 193 M HN 0.142 nan 8.290 nan 0.000 0.420 194 S N 0.777 116.510 115.700 0.054 0.000 2.368 194 S HA -0.035 4.434 4.470 -0.002 0.000 0.224 194 S C 1.807 176.385 174.600 -0.036 0.000 1.029 194 S CA 1.069 59.295 58.200 0.043 0.000 0.988 194 S CB -0.325 62.815 63.200 -0.101 0.000 0.838 194 S HN 0.389 nan 8.310 nan 0.000 0.462 195 I N 1.665 122.169 120.570 -0.111 0.000 2.394 195 I HA -0.193 3.976 4.170 -0.002 0.000 0.251 195 I C 2.630 178.733 176.117 -0.024 0.000 1.136 195 I CA 0.903 62.139 61.300 -0.107 0.000 1.425 195 I CB -0.453 37.451 38.000 -0.160 0.000 1.079 195 I HN 0.252 nan 8.210 nan 0.000 0.425 196 A N 0.895 123.648 122.820 -0.112 0.000 1.908 196 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 196 A C 2.553 180.202 177.584 0.108 0.000 1.181 196 A CA 2.045 53.995 52.037 -0.145 0.000 0.627 196 A CB -0.820 17.959 19.000 -0.370 0.000 0.818 196 A HN 0.433 nan 8.150 nan 0.000 0.445 197 A N -0.348 122.518 122.820 0.078 0.000 1.873 197 A HA 0.002 4.321 4.320 -0.002 0.000 0.215 197 A C 2.135 179.801 177.584 0.138 0.000 1.186 197 A CA 1.409 53.511 52.037 0.108 0.000 0.616 197 A CB -0.635 18.420 19.000 0.091 0.000 0.823 197 A HN 0.468 nan 8.150 nan 0.000 0.442 198 L N -0.630 120.678 121.223 0.142 0.000 2.187 198 L HA -0.158 4.181 4.340 -0.002 0.000 0.213 198 L C 2.249 179.326 176.870 0.345 0.000 1.100 198 L CA 0.772 55.745 54.840 0.222 0.000 0.765 198 L CB -0.468 41.698 42.059 0.179 0.000 0.904 198 L HN 0.354 nan 8.230 nan 0.000 0.437 199 L N -0.729 120.707 121.223 0.354 0.000 2.465 199 L HA -0.099 4.240 4.340 -0.002 0.000 0.224 199 L C 2.131 179.101 176.870 0.167 0.000 1.145 199 L CA 0.731 55.775 54.840 0.340 0.000 0.834 199 L CB -0.281 42.018 42.059 0.400 0.000 0.944 199 L HN 0.248 nan 8.230 nan 0.000 0.451 200 A N -1.738 121.171 122.820 0.148 0.000 2.390 200 A HA 0.317 4.636 4.320 -0.002 0.000 0.225 200 A C 0.885 178.504 177.584 0.058 0.000 1.232 200 A CA -0.380 51.705 52.037 0.079 0.000 0.964 200 A CB 0.190 19.242 19.000 0.087 0.000 1.064 200 A HN 0.128 nan 8.150 nan 0.000 0.525 201 M N 0.849 120.498 119.600 0.082 0.000 2.228 201 M HA 0.170 4.650 4.480 -0.002 0.000 0.351 201 M C -1.692 174.637 176.300 0.048 0.000 1.233 201 M CA -1.424 53.916 55.300 0.067 0.000 1.129 201 M CB 0.848 33.500 32.600 0.087 0.000 1.604 201 M HN -0.069 nan 8.290 nan 0.000 0.457 202 P HA -0.139 nan 4.420 nan 0.000 0.216 202 P C 0.883 178.205 177.300 0.037 0.000 1.150 202 P CA 1.361 64.477 63.100 0.026 0.000 0.837 202 P CB 0.072 31.787 31.700 0.025 0.000 0.786 203 A N -0.291 122.561 122.820 0.054 0.000 2.070 203 A HA -0.007 4.312 4.320 -0.002 0.000 0.220 203 A C 2.048 179.679 177.584 0.078 0.000 1.159 203 A CA 1.787 53.864 52.037 0.067 0.000 0.656 203 A CB -1.222 17.825 19.000 0.078 0.000 0.800 203 A HN 0.222 nan 8.150 nan 0.000 0.453 204 A N -1.041 121.830 122.820 0.086 0.000 2.387 204 A HA 0.270 4.589 4.320 -0.002 0.000 0.234 204 A C 0.482 178.077 177.584 0.019 0.000 1.253 204 A CA -0.353 51.753 52.037 0.115 0.000 0.894 204 A CB 0.027 19.166 19.000 0.232 0.000 0.963 204 A HN 0.168 nan 8.150 nan 0.000 0.508 205 K N 0.341 120.734 120.400 -0.012 0.000 2.472 205 K HA 0.186 4.505 4.320 -0.002 0.000 0.280 205 K C 1.205 177.754 176.600 -0.085 0.000 1.028 205 K CA 0.975 57.220 56.287 -0.070 0.000 1.045 205 K CB 0.043 32.518 32.500 -0.042 0.000 0.902 205 K HN 0.814 nan 8.250 nan 0.000 0.478 206 G N 2.579 111.285 108.800 -0.156 0.000 2.166 206 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.260 206 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.260 206 G C 0.605 175.445 174.900 -0.099 0.000 0.986 206 G CA 0.405 45.426 45.100 -0.131 0.000 0.683 206 G HN 0.572 nan 8.290 nan 0.000 0.527 207 L N -1.039 120.124 121.223 -0.100 0.000 2.592 207 L HA 0.465 4.804 4.340 -0.002 0.000 0.227 207 L C 0.818 177.825 176.870 0.228 0.000 1.127 207 L CA 0.325 55.210 54.840 0.075 0.000 0.884 207 L CB -0.301 41.866 42.059 0.181 0.000 1.065 207 L HN 0.488 nan 8.230 nan 0.000 0.457 208 F N -4.172 115.799 119.950 0.035 0.000 2.719 208 F HA 0.441 4.967 4.527 -0.001 0.000 0.309 208 F C -0.077 175.741 175.800 0.030 0.000 1.138 208 F CA -0.987 57.037 58.000 0.039 0.000 0.943 208 F CB 1.042 40.078 39.000 0.059 0.000 1.304 208 F HN -0.370 nan 8.300 nan 0.000 0.445 209 Q N 0.444 120.370 119.800 0.211 0.000 2.214 209 Q HA 0.425 4.764 4.340 -0.002 0.000 0.229 209 Q C -0.893 175.188 176.000 0.135 0.000 0.835 209 Q CA 0.284 56.139 55.803 0.086 0.000 0.953 209 Q CB 1.013 29.767 28.738 0.027 0.000 1.131 209 Q HN 0.607 nan 8.270 nan 0.000 0.501 210 K N -0.658 119.897 120.400 0.257 0.000 2.536 210 K HA 0.856 5.175 4.320 -0.002 0.000 0.269 210 K C -1.574 175.239 176.600 0.355 0.000 0.965 210 K CA -0.858 55.556 56.287 0.212 0.000 0.860 210 K CB 2.384 34.823 32.500 -0.101 0.000 1.423 210 K HN -0.037 nan 8.250 nan 0.000 0.438 211 A N 1.867 124.935 122.820 0.414 0.000 2.515 211 A HA 0.762 5.081 4.320 -0.002 0.000 0.298 211 A C -1.378 176.340 177.584 0.223 0.000 1.059 211 A CA -0.698 51.508 52.037 0.282 0.000 0.698 211 A CB 0.924 20.081 19.000 0.263 0.000 1.289 211 A HN 0.625 nan 8.150 nan 0.000 0.404 212 I N 1.873 122.511 120.570 0.113 0.000 2.447 212 I HA 0.368 4.537 4.170 -0.002 0.000 0.287 212 I C -0.750 175.402 176.117 0.060 0.000 1.023 212 I CA -0.157 61.123 61.300 -0.032 0.000 1.083 212 I CB 1.918 39.859 38.000 -0.098 0.000 1.245 212 I HN 0.619 nan 8.210 nan 0.000 0.434 213 M N 6.026 125.644 119.600 0.030 0.000 2.043 213 M HA 0.354 4.833 4.480 -0.002 0.000 0.322 213 M C -0.752 175.625 176.300 0.129 0.000 0.962 213 M CA -0.324 54.995 55.300 0.033 0.000 0.927 213 M CB 1.277 33.837 32.600 -0.067 0.000 1.466 213 M HN 0.427 nan 8.290 nan 0.000 0.412 214 E N 1.659 121.993 120.200 0.223 0.000 2.115 214 E HA 0.302 4.651 4.350 -0.002 0.000 0.282 214 E C -0.189 176.569 176.600 0.262 0.000 0.987 214 E CA -0.401 56.209 56.400 0.351 0.000 0.797 214 E CB 1.009 30.991 29.700 0.469 0.000 1.086 214 E HN 0.692 nan 8.360 nan 0.000 0.397 215 S N 1.864 117.721 115.700 0.261 0.000 3.550 215 S HA -0.170 4.299 4.470 -0.002 0.000 0.372 215 S C 0.016 174.899 174.600 0.472 0.000 0.966 215 S CA 0.609 58.999 58.200 0.318 0.000 1.229 215 S CB -0.989 62.340 63.200 0.214 0.000 0.917 215 S HN 0.859 nan 8.310 nan 0.000 0.496 216 G N -1.103 107.874 108.800 0.294 0.000 2.658 216 G HA2 0.781 4.740 3.960 -0.002 0.000 0.301 216 G HA3 0.781 4.740 3.960 -0.002 0.000 0.301 216 G C -0.754 174.132 174.900 -0.023 0.000 1.481 216 G CA 0.274 45.484 45.100 0.183 0.000 0.931 216 G HN 0.996 nan 8.290 nan 0.000 0.573 217 A N 0.586 123.349 122.820 -0.094 0.000 3.613 217 A HA 0.906 5.225 4.320 -0.002 0.000 0.276 217 A C 0.463 177.914 177.584 -0.221 0.000 1.115 217 A CA 0.237 52.094 52.037 -0.300 0.000 0.652 217 A CB 0.492 19.356 19.000 -0.226 0.000 1.498 217 A HN 1.961 nan 8.150 nan 0.000 0.710 218 S N -0.214 115.383 115.700 -0.171 0.000 2.546 218 S HA 0.409 4.878 4.470 -0.002 0.000 0.290 218 S C -0.106 174.492 174.600 -0.002 0.000 1.262 218 S CA 0.383 58.582 58.200 -0.001 0.000 1.083 218 S CB -0.425 62.874 63.200 0.166 0.000 0.859 218 S HN 0.757 nan 8.310 nan 0.000 0.495 219 R N 2.894 123.399 120.500 0.009 0.000 2.518 219 R HA 0.500 4.839 4.340 -0.002 0.000 0.287 219 R C -1.050 175.247 176.300 -0.006 0.000 1.135 219 R CA -0.195 55.908 56.100 0.004 0.000 0.967 219 R CB 1.345 31.659 30.300 0.023 0.000 1.212 219 R HN 0.768 nan 8.270 nan 0.000 0.422 220 T N 1.256 115.806 114.554 -0.005 0.000 2.821 220 T HA 0.629 4.978 4.350 -0.002 0.000 0.306 220 T C -0.325 174.368 174.700 -0.012 0.000 1.313 220 T CA -1.065 61.017 62.100 -0.030 0.000 1.012 220 T CB 1.206 70.055 68.868 -0.031 0.000 1.298 220 T HN 0.599 nan 8.240 nan 0.000 0.502 221 M N 0.628 120.204 119.600 -0.040 0.000 2.644 221 M HA 0.722 5.201 4.480 -0.002 0.000 0.316 221 M C 0.248 176.510 176.300 -0.063 0.000 1.200 221 M CA -0.790 54.494 55.300 -0.027 0.000 0.944 221 M CB 1.846 34.425 32.600 -0.034 0.000 1.691 221 M HN 0.825 nan 8.290 nan 0.000 0.471 222 T N -1.597 112.922 114.554 -0.059 0.000 2.813 222 T HA 0.210 4.559 4.350 -0.002 0.000 0.297 222 T C 0.772 175.428 174.700 -0.073 0.000 1.036 222 T CA -0.423 61.635 62.100 -0.069 0.000 1.044 222 T CB 1.156 69.984 68.868 -0.066 0.000 0.993 222 T HN 0.979 nan 8.240 nan 0.000 0.535 223 K N 0.350 120.708 120.400 -0.070 0.000 2.097 223 K HA -0.197 4.122 4.320 -0.002 0.000 0.206 223 K C 2.194 178.768 176.600 -0.044 0.000 1.049 223 K CA 1.761 58.009 56.287 -0.064 0.000 0.933 223 K CB -0.173 32.296 32.500 -0.051 0.000 0.717 223 K HN 0.857 nan 8.250 nan 0.000 0.442 224 E N 0.398 120.573 120.200 -0.041 0.000 2.077 224 E HA -0.226 4.123 4.350 -0.002 0.000 0.193 224 E C 2.033 178.618 176.600 -0.025 0.000 0.989 224 E CA 1.282 57.663 56.400 -0.032 0.000 0.800 224 E CB 0.098 29.777 29.700 -0.034 0.000 0.746 224 E HN 0.410 nan 8.360 nan 0.000 0.452 225 Q N -0.156 119.625 119.800 -0.031 0.000 2.084 225 Q HA -0.142 4.197 4.340 -0.002 0.000 0.202 225 Q C 2.208 178.196 176.000 -0.019 0.000 0.978 225 Q CA 1.279 57.063 55.803 -0.031 0.000 0.844 225 Q CB -0.133 28.582 28.738 -0.039 0.000 0.898 225 Q HN 0.334 nan 8.270 nan 0.000 0.426 226 A N 1.108 123.923 122.820 -0.008 0.000 1.902 226 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 226 A C 2.281 179.916 177.584 0.085 0.000 1.181 226 A CA 1.648 53.721 52.037 0.059 0.000 0.623 226 A CB -0.742 18.261 19.000 0.005 0.000 0.818 226 A HN 0.401 nan 8.150 nan 0.000 0.443 227 A N 0.277 123.127 122.820 0.050 0.000 1.898 227 A HA -0.059 4.260 4.320 -0.002 0.000 0.216 227 A C 2.512 180.141 177.584 0.075 0.000 1.181 227 A CA 2.233 54.306 52.037 0.060 0.000 0.620 227 A CB -0.947 18.052 19.000 -0.001 0.000 0.819 227 A HN 0.946 nan 8.150 nan 0.000 0.442 228 S N -0.903 114.821 115.700 0.039 0.000 2.368 228 S HA -0.145 4.324 4.470 -0.002 0.000 0.224 228 S C 1.839 176.476 174.600 0.062 0.000 1.029 228 S CA 1.908 60.133 58.200 0.041 0.000 0.988 228 S CB -1.153 62.053 63.200 0.010 0.000 0.838 228 S HN 0.454 nan 8.310 nan 0.000 0.462 229 T N 2.486 117.061 114.554 0.036 0.000 2.821 229 T HA 0.171 4.520 4.350 -0.002 0.000 0.267 229 T C 2.209 176.972 174.700 0.105 0.000 1.046 229 T CA 1.194 63.306 62.100 0.019 0.000 1.139 229 T CB -0.724 68.091 68.868 -0.088 0.000 0.871 229 T HN 0.616 nan 8.240 nan 0.000 0.454 230 A N 1.507 124.416 122.820 0.148 0.000 1.902 230 A HA 0.141 4.460 4.320 -0.002 0.000 0.217 230 A C 2.633 180.402 177.584 0.308 0.000 1.181 230 A CA 1.818 53.990 52.037 0.224 0.000 0.623 230 A CB -1.084 18.093 19.000 0.296 0.000 0.818 230 A HN 0.498 nan 8.150 nan 0.000 0.443 231 A N -0.214 122.827 122.820 0.367 0.000 1.902 231 A HA 0.175 4.494 4.320 -0.002 0.000 0.217 231 A C 2.478 180.180 177.584 0.196 0.000 1.181 231 A CA 2.026 54.294 52.037 0.384 0.000 0.623 231 A CB -0.942 18.227 19.000 0.282 0.000 0.818 231 A HN 1.056 nan 8.150 nan 0.000 0.443 232 A N -1.354 121.562 122.820 0.160 0.000 1.930 232 A HA 0.011 4.330 4.320 -0.002 0.000 0.217 232 A C 1.989 179.659 177.584 0.143 0.000 1.175 232 A CA 1.509 53.618 52.037 0.121 0.000 0.627 232 A CB -0.647 18.416 19.000 0.104 0.000 0.815 232 A HN 0.615 nan 8.150 nan 0.000 0.443 233 F N 0.343 120.292 119.950 -0.001 0.000 2.102 233 F HA -0.119 4.407 4.527 -0.002 0.000 0.298 233 F C 1.757 177.507 175.800 -0.085 0.000 1.105 233 F CA 1.540 59.523 58.000 -0.030 0.000 1.239 233 F CB -0.435 38.543 39.000 -0.037 0.000 0.991 233 F HN 0.135 nan 8.300 nan 0.000 0.474 234 L N 0.402 121.529 121.223 -0.159 0.000 2.131 234 L HA -0.208 4.131 4.340 -0.002 0.000 0.210 234 L C 2.454 179.195 176.870 -0.215 0.000 1.092 234 L CA 1.614 56.256 54.840 -0.330 0.000 0.759 234 L CB -1.140 40.666 42.059 -0.421 0.000 0.903 234 L HN 0.230 nan 8.230 nan 0.000 0.435 235 Q N -1.169 118.574 119.800 -0.096 0.000 2.050 235 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 235 Q C 2.304 178.254 176.000 -0.083 0.000 0.980 235 Q CA 1.648 57.418 55.803 -0.054 0.000 0.840 235 Q CB -0.309 28.430 28.738 0.002 0.000 0.898 235 Q HN 0.357 nan 8.270 nan 0.000 0.424 236 V N 1.153 121.009 119.914 -0.098 0.000 2.407 236 V HA -0.233 3.886 4.120 -0.002 0.000 0.248 236 V C 2.030 178.027 176.094 -0.162 0.000 1.055 236 V CA 1.465 63.704 62.300 -0.102 0.000 1.049 236 V CB -0.386 31.393 31.823 -0.074 0.000 0.662 236 V HN 0.351 nan 8.190 nan 0.000 0.455 237 L N 0.203 121.264 121.223 -0.270 0.000 2.492 237 L HA 0.235 4.574 4.340 -0.002 0.000 0.223 237 L C 1.679 178.444 176.870 -0.175 0.000 1.132 237 L CA 0.813 55.489 54.840 -0.273 0.000 0.850 237 L CB -0.616 41.183 42.059 -0.433 0.000 0.966 237 L HN 0.550 nan 8.230 nan 0.000 0.454 238 G N 1.379 110.095 108.800 -0.140 0.000 2.221 238 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.265 238 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.265 238 G C 0.007 174.851 174.900 -0.093 0.000 1.041 238 G CA -0.062 44.983 45.100 -0.092 0.000 0.807 238 G HN 0.318 nan 8.290 nan 0.000 0.502 239 I N 0.590 121.083 120.570 -0.128 0.000 2.354 239 I HA 0.268 4.437 4.170 -0.002 0.000 0.292 239 I C 0.604 176.665 176.117 -0.092 0.000 0.989 239 I CA -0.772 60.455 61.300 -0.121 0.000 1.188 239 I CB 1.166 39.056 38.000 -0.185 0.000 1.342 239 I HN 0.176 nan 8.210 nan 0.000 0.457 240 N N 4.502 123.180 118.700 -0.037 0.000 2.413 240 N HA 0.160 4.900 4.740 -0.002 0.000 0.266 240 N C 0.395 175.936 175.510 0.051 0.000 1.238 240 N CA -0.750 52.309 53.050 0.016 0.000 0.972 240 N CB 1.037 39.538 38.487 0.024 0.000 1.210 240 N HN 0.556 nan 8.380 nan 0.000 0.547 241 E N -0.188 120.090 120.200 0.131 0.000 2.338 241 E HA -0.122 4.227 4.350 -0.002 0.000 0.197 241 E C 0.886 177.558 176.600 0.120 0.000 1.007 241 E CA 0.840 57.362 56.400 0.203 0.000 0.849 241 E CB 0.034 29.851 29.700 0.195 0.000 0.774 241 E HN 0.510 nan 8.360 nan 0.000 0.506 242 S N -0.415 115.328 115.700 0.073 0.000 2.568 242 S HA 0.129 4.598 4.470 -0.002 0.000 0.232 242 S C 0.889 175.512 174.600 0.039 0.000 0.975 242 S CA -0.391 57.839 58.200 0.051 0.000 0.949 242 S CB 0.354 63.575 63.200 0.036 0.000 0.829 242 S HN 0.108 nan 8.310 nan 0.000 0.479 243 Q N 0.534 120.355 119.800 0.035 0.000 2.115 243 Q HA 0.424 4.763 4.340 -0.002 0.000 0.249 243 Q C 0.804 176.820 176.000 0.026 0.000 0.830 243 Q CA -0.141 55.675 55.803 0.022 0.000 1.104 243 Q CB 0.248 28.986 28.738 0.000 0.000 1.207 243 Q HN 0.416 nan 8.270 nan 0.000 0.464 244 L N 0.501 121.758 121.223 0.057 0.000 2.187 244 L HA -0.217 4.122 4.340 -0.002 0.000 0.213 244 L C 1.359 178.327 176.870 0.164 0.000 1.100 244 L CA 0.994 55.890 54.840 0.094 0.000 0.765 244 L CB -0.274 41.883 42.059 0.164 0.000 0.904 244 L HN 0.326 nan 8.230 nan 0.000 0.437 245 D N 0.287 120.780 120.400 0.155 0.000 2.218 245 D HA -0.157 4.482 4.640 -0.002 0.000 0.204 245 D C 2.215 178.620 176.300 0.176 0.000 0.976 245 D CA 0.939 55.064 54.000 0.209 0.000 0.853 245 D CB -0.061 40.804 40.800 0.108 0.000 0.939 245 D HN 0.353 nan 8.370 nan 0.000 0.481 246 R N 0.108 120.657 120.500 0.081 0.000 2.193 246 R HA -0.002 4.337 4.340 -0.002 0.000 0.229 246 R C 2.324 178.629 176.300 0.009 0.000 1.110 246 R CA 0.280 56.400 56.100 0.034 0.000 0.988 246 R CB -0.141 30.153 30.300 -0.010 0.000 0.871 246 R HN 0.226 nan 8.270 nan 0.000 0.458 247 L N -0.111 121.093 121.223 -0.032 0.000 2.362 247 L HA -0.149 4.190 4.340 -0.002 0.000 0.219 247 L C 1.573 178.365 176.870 -0.130 0.000 1.134 247 L CA 0.905 55.678 54.840 -0.110 0.000 0.807 247 L CB -0.245 41.651 42.059 -0.272 0.000 0.927 247 L HN 0.327 nan 8.230 nan 0.000 0.447 248 H N -1.893 117.262 119.070 0.141 0.000 2.586 248 H HA 0.118 4.673 4.556 -0.002 0.000 0.273 248 H C 1.848 177.213 175.328 0.062 0.000 0.997 248 H CA 1.263 57.374 56.048 0.106 0.000 1.177 248 H CB 0.487 30.300 29.762 0.085 0.000 1.471 248 H HN 0.399 nan 8.280 nan 0.000 0.538 249 T N -2.673 111.957 114.554 0.126 0.000 2.964 249 T HA 0.098 4.447 4.350 -0.002 0.000 0.249 249 T C 0.990 175.723 174.700 0.054 0.000 1.000 249 T CA -0.079 62.070 62.100 0.083 0.000 0.992 249 T CB -0.329 68.579 68.868 0.067 0.000 1.087 249 T HN -0.018 nan 8.240 nan 0.000 0.489 250 V N 3.021 122.959 119.914 0.041 0.000 2.788 250 V HA 0.546 4.665 4.120 -0.002 0.000 0.307 250 V C 0.757 176.879 176.094 0.047 0.000 1.069 250 V CA -0.494 61.821 62.300 0.024 0.000 1.173 250 V CB -0.064 31.755 31.823 -0.007 0.000 0.925 250 V HN 0.740 nan 8.190 nan 0.000 0.492 251 A N 5.511 128.356 122.820 0.043 0.000 2.462 251 A HA 0.559 4.878 4.320 -0.002 0.000 0.243 251 A C 1.519 179.165 177.584 0.103 0.000 1.076 251 A CA 0.369 52.443 52.037 0.062 0.000 0.773 251 A CB 0.347 19.374 19.000 0.045 0.000 1.010 251 A HN 1.868 nan 8.150 nan 0.000 0.493 252 A N 1.574 124.484 122.820 0.150 0.000 1.940 252 A HA -0.144 4.175 4.320 -0.002 0.000 0.219 252 A C 1.711 179.445 177.584 0.251 0.000 1.176 252 A CA 2.207 54.420 52.037 0.294 0.000 0.631 252 A CB -0.575 18.585 19.000 0.266 0.000 0.814 252 A HN 0.863 nan 8.150 nan 0.000 0.446 253 E N 0.674 120.963 120.200 0.148 0.000 2.160 253 E HA -0.146 4.203 4.350 -0.002 0.000 0.195 253 E C 1.453 178.107 176.600 0.090 0.000 0.991 253 E CA 1.375 57.843 56.400 0.113 0.000 0.810 253 E CB -0.261 29.480 29.700 0.067 0.000 0.742 253 E HN 0.607 nan 8.360 nan 0.000 0.466 254 D N -0.183 120.258 120.400 0.068 0.000 2.183 254 D HA -0.061 4.578 4.640 -0.002 0.000 0.203 254 D C 1.924 178.242 176.300 0.030 0.000 0.969 254 D CA 0.557 54.575 54.000 0.030 0.000 0.842 254 D CB -0.001 40.800 40.800 0.000 0.000 0.957 254 D HN 0.208 nan 8.370 nan 0.000 0.484 255 L N 0.309 121.569 121.223 0.061 0.000 2.093 255 L HA -0.090 4.249 4.340 -0.002 0.000 0.208 255 L C 2.536 179.484 176.870 0.131 0.000 1.085 255 L CA 0.537 55.434 54.840 0.094 0.000 0.755 255 L CB -0.264 41.778 42.059 -0.029 0.000 0.904 255 L HN 0.007 nan 8.230 nan 0.000 0.435 256 L N -0.174 121.109 121.223 0.100 0.000 2.056 256 L HA -0.212 4.127 4.340 -0.002 0.000 0.207 256 L C 2.684 179.630 176.870 0.126 0.000 1.078 256 L CA 1.041 55.961 54.840 0.132 0.000 0.749 256 L CB -0.401 41.764 42.059 0.176 0.000 0.901 256 L HN 0.184 nan 8.230 nan 0.000 0.433 257 K N 0.784 121.242 120.400 0.096 0.000 2.057 257 K HA -0.140 4.179 4.320 -0.002 0.000 0.207 257 K C 2.012 178.656 176.600 0.075 0.000 1.049 257 K CA 1.690 58.016 56.287 0.066 0.000 0.931 257 K CB -0.395 32.129 32.500 0.039 0.000 0.714 257 K HN 0.206 nan 8.250 nan 0.000 0.440 258 A N 0.519 123.395 122.820 0.093 0.000 1.933 258 A HA -0.047 4.272 4.320 -0.002 0.000 0.218 258 A C 2.382 180.126 177.584 0.266 0.000 1.175 258 A CA 2.061 54.167 52.037 0.114 0.000 0.628 258 A CB -1.069 17.899 19.000 -0.053 0.000 0.814 258 A HN 0.456 nan 8.150 nan 0.000 0.444 259 A N -0.285 122.739 122.820 0.340 0.000 1.873 259 A HA -0.209 4.110 4.320 -0.002 0.000 0.215 259 A C 1.985 179.572 177.584 0.004 0.000 1.186 259 A CA 1.842 54.028 52.037 0.249 0.000 0.616 259 A CB -0.601 18.579 19.000 0.301 0.000 0.823 259 A HN 0.570 nan 8.150 nan 0.000 0.442 260 D N -0.891 119.517 120.400 0.013 0.000 2.178 260 D HA -0.202 4.437 4.640 -0.002 0.000 0.201 260 D C 2.003 178.263 176.300 -0.067 0.000 0.980 260 D CA 1.525 55.486 54.000 -0.066 0.000 0.842 260 D CB -0.139 40.660 40.800 -0.000 0.000 0.948 260 D HN 0.656 nan 8.370 nan 0.000 0.472 261 Q N -0.085 119.714 119.800 -0.001 0.000 2.119 261 Q HA -0.091 4.248 4.340 -0.002 0.000 0.201 261 Q C 2.589 178.601 176.000 0.019 0.000 0.972 261 Q CA 0.688 56.497 55.803 0.010 0.000 0.847 261 Q CB 0.074 28.829 28.738 0.028 0.000 0.903 261 Q HN 0.347 nan 8.270 nan 0.000 0.433 262 L N -0.115 121.138 121.223 0.051 0.000 2.093 262 L HA -0.149 4.190 4.340 -0.002 0.000 0.208 262 L C 2.607 179.540 176.870 0.105 0.000 1.085 262 L CA 0.929 55.843 54.840 0.124 0.000 0.755 262 L CB -0.344 41.878 42.059 0.272 0.000 0.904 262 L HN 0.197 nan 8.230 nan 0.000 0.435 263 R N 0.369 120.772 120.500 -0.162 0.000 2.070 263 R HA -0.119 4.220 4.340 -0.002 0.000 0.232 263 R C 2.275 178.533 176.300 -0.069 0.000 1.138 263 R CA 1.429 57.369 56.100 -0.265 0.000 0.936 263 R CB -0.498 29.418 30.300 -0.640 0.000 0.839 263 R HN 0.296 nan 8.270 nan 0.000 0.429 264 I N 0.994 121.519 120.570 -0.075 0.000 2.264 264 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 264 I C 2.563 178.680 176.117 0.001 0.000 1.111 264 I CA 1.295 62.576 61.300 -0.031 0.000 1.382 264 I CB -0.473 37.511 38.000 -0.027 0.000 1.060 264 I HN 0.212 nan 8.210 nan 0.000 0.418 265 A N 0.081 122.911 122.820 0.017 0.000 2.067 265 A HA -0.088 4.231 4.320 -0.002 0.000 0.219 265 A C 1.013 178.620 177.584 0.039 0.000 1.158 265 A CA 0.899 52.954 52.037 0.030 0.000 0.661 265 A CB -0.392 18.632 19.000 0.041 0.000 0.801 265 A HN 0.425 nan 8.150 nan 0.000 0.452 266 E N 0.302 120.537 120.200 0.058 0.000 2.174 266 E HA 0.263 4.612 4.350 -0.002 0.000 0.282 266 E C -0.537 176.089 176.600 0.043 0.000 0.992 266 E CA -0.586 55.851 56.400 0.062 0.000 0.803 266 E CB 1.167 30.933 29.700 0.111 0.000 1.090 266 E HN 0.294 nan 8.360 nan 0.000 0.396 267 K N 3.178 123.594 120.400 0.027 0.000 2.453 267 K HA -0.072 4.247 4.320 -0.002 0.000 0.280 267 K C 0.025 176.636 176.600 0.018 0.000 1.045 267 K CA 0.161 56.457 56.287 0.016 0.000 1.059 267 K CB 0.425 32.931 32.500 0.009 0.000 0.901 267 K HN 0.480 nan 8.250 nan 0.000 0.475 268 E N 4.058 124.266 120.200 0.013 0.000 2.414 268 E HA -0.088 4.261 4.350 -0.002 0.000 0.263 268 E C -0.280 176.317 176.600 -0.005 0.000 1.000 268 E CA -0.330 56.077 56.400 0.012 0.000 0.914 268 E CB 0.491 30.190 29.700 -0.001 0.000 0.948 268 E HN 0.650 nan 8.360 nan 0.000 0.444 269 N N 4.497 123.192 118.700 -0.008 0.000 2.476 269 N HA 0.058 4.797 4.740 -0.002 0.000 0.275 269 N C 1.369 176.815 175.510 -0.106 0.000 1.190 269 N CA -0.335 52.677 53.050 -0.063 0.000 0.977 269 N CB 0.866 39.320 38.487 -0.055 0.000 1.200 269 N HN 0.642 nan 8.380 nan 0.000 0.515 270 I N -3.342 117.080 120.570 -0.248 0.000 2.567 270 I HA -0.116 4.053 4.170 -0.002 0.000 0.257 270 I C 0.837 176.789 176.117 -0.275 0.000 1.184 270 I CA 1.163 62.316 61.300 -0.246 0.000 1.451 270 I CB -0.492 37.304 38.000 -0.340 0.000 1.089 270 I HN 0.262 nan 8.210 nan 0.000 0.441 271 F N 1.058 120.992 119.950 -0.026 0.000 2.776 271 F HA 0.207 4.733 4.527 -0.001 0.000 0.300 271 F C 1.080 176.961 175.800 0.135 0.000 1.116 271 F CA -0.146 57.825 58.000 -0.050 0.000 1.375 271 F CB -0.172 38.732 39.000 -0.160 0.000 1.109 271 F HN 0.073 nan 8.300 nan 0.000 0.585 272 Q N 0.944 120.881 119.800 0.228 0.000 2.475 272 Q HA -0.207 4.132 4.340 -0.002 0.000 0.280 272 Q C -0.550 175.585 176.000 0.225 0.000 1.234 272 Q CA 0.169 56.089 55.803 0.194 0.000 0.873 272 Q CB -1.912 26.944 28.738 0.197 0.000 1.256 272 Q HN 0.457 nan 8.270 nan 0.000 0.475 273 L N -0.093 121.254 121.223 0.207 0.000 2.312 273 L HA 0.470 4.809 4.340 -0.002 0.000 0.281 273 L C 0.455 177.422 176.870 0.161 0.000 1.070 273 L CA -0.038 54.911 54.840 0.183 0.000 0.805 273 L CB 0.618 42.743 42.059 0.110 0.000 1.174 273 L HN 0.201 nan 8.230 nan 0.000 0.434 274 F N 1.596 121.535 119.950 -0.017 0.000 1.865 274 F HA 0.346 4.872 4.527 -0.002 0.000 0.227 274 F C -0.219 175.479 175.800 -0.169 0.000 1.255 274 F CA -0.415 57.480 58.000 -0.175 0.000 1.288 274 F CB 0.371 39.167 39.000 -0.341 0.000 1.946 274 F HN 0.044 nan 8.300 nan 0.000 0.179 275 F N 3.318 123.471 119.950 0.339 0.000 2.443 275 F HA 0.449 4.975 4.527 -0.002 0.000 0.353 275 F C 0.138 175.920 175.800 -0.030 0.000 1.101 275 F CA 0.174 58.282 58.000 0.180 0.000 1.226 275 F CB 0.520 39.689 39.000 0.282 0.000 1.140 275 F HN 0.265 nan 8.300 nan 0.000 0.557 276 Q N 2.484 122.268 119.800 -0.026 0.000 2.756 276 Q HA 0.479 4.818 4.340 -0.002 0.000 0.295 276 Q C -3.273 172.589 176.000 -0.230 0.000 0.903 276 Q CA -2.333 53.121 55.803 -0.581 0.000 0.768 276 Q CB 1.679 30.266 28.738 -0.252 0.000 1.472 276 Q HN 0.155 nan 8.270 nan 0.000 0.416 277 P HA 0.276 nan 4.420 nan 0.000 0.269 277 P C -1.298 175.951 177.300 -0.085 0.000 1.215 277 P CA 0.188 63.284 63.100 -0.007 0.000 0.780 277 P CB 0.607 32.276 31.700 -0.052 0.000 0.898 278 A N 2.561 125.236 122.820 -0.241 0.000 2.386 278 A HA 0.560 4.879 4.320 -0.002 0.000 0.311 278 A C -0.650 176.804 177.584 -0.217 0.000 1.068 278 A CA -0.839 50.989 52.037 -0.349 0.000 0.743 278 A CB 0.689 19.201 19.000 -0.814 0.000 1.258 278 A HN 0.449 nan 8.150 nan 0.000 0.429 279 L N 1.564 122.703 121.223 -0.141 0.000 2.453 279 L HA 0.334 4.673 4.340 -0.002 0.000 0.272 279 L C -0.294 176.523 176.870 -0.088 0.000 1.182 279 L CA 0.424 55.212 54.840 -0.086 0.000 0.858 279 L CB 0.447 42.467 42.059 -0.065 0.000 1.120 279 L HN 0.846 nan 8.230 nan 0.000 0.474 280 D N 3.423 123.791 120.400 -0.053 0.000 2.871 280 D HA 0.253 4.892 4.640 -0.002 0.000 0.209 280 D C -2.207 174.087 176.300 -0.010 0.000 1.292 280 D CA -1.213 52.768 54.000 -0.032 0.000 0.869 280 D CB 2.211 42.994 40.800 -0.028 0.000 1.663 280 D HN -0.007 nan 8.370 nan 0.000 0.557 281 P HA -0.179 nan 4.420 nan 0.000 0.216 281 P C 0.774 178.081 177.300 0.011 0.000 1.154 281 P CA 1.580 64.681 63.100 0.001 0.000 0.865 281 P CB 0.271 31.972 31.700 0.000 0.000 0.789 282 K N -1.330 119.082 120.400 0.020 0.000 2.062 282 K HA -0.042 4.277 4.320 -0.002 0.000 0.205 282 K C 2.035 178.657 176.600 0.036 0.000 1.051 282 K CA 1.973 58.279 56.287 0.031 0.000 0.941 282 K CB -0.550 31.977 32.500 0.045 0.000 0.719 282 K HN 0.316 nan 8.250 nan 0.000 0.440 283 T N -1.938 112.638 114.554 0.036 0.000 3.018 283 T HA 0.132 4.481 4.350 -0.002 0.000 0.246 283 T C 0.460 175.181 174.700 0.034 0.000 1.026 283 T CA -0.123 62.002 62.100 0.042 0.000 1.081 283 T CB 0.368 69.268 68.868 0.053 0.000 0.970 283 T HN -0.000 nan 8.240 nan 0.000 0.475 284 L N 1.705 122.939 121.223 0.018 0.000 2.440 284 L HA 0.490 4.830 4.340 -0.002 0.000 0.261 284 L C -2.545 174.325 176.870 0.000 0.000 1.382 284 L CA -1.773 53.075 54.840 0.015 0.000 0.871 284 L CB 1.820 43.884 42.059 0.010 0.000 1.052 284 L HN -0.211 nan 8.230 nan 0.000 0.509 285 P HA -0.145 nan 4.420 nan 0.000 0.216 285 P C -0.611 176.684 177.300 -0.009 0.000 1.150 285 P CA 1.303 64.400 63.100 -0.004 0.000 0.843 285 P CB 0.265 31.964 31.700 -0.002 0.000 0.787 286 E N -2.655 117.543 120.200 -0.003 0.000 2.454 286 E HA 0.329 4.678 4.350 -0.002 0.000 0.279 286 E C -1.099 175.507 176.600 0.009 0.000 1.029 286 E CA -1.103 55.294 56.400 -0.004 0.000 0.831 286 E CB 0.628 30.323 29.700 -0.007 0.000 1.405 286 E HN -0.130 nan 8.360 nan 0.000 0.463 287 E N 1.183 121.388 120.200 0.009 0.000 2.558 287 E HA -0.023 4.326 4.350 -0.002 0.000 0.255 287 E C -1.763 174.875 176.600 0.064 0.000 0.968 287 E CA -0.986 55.432 56.400 0.029 0.000 0.939 287 E CB 0.318 30.031 29.700 0.021 0.000 0.921 287 E HN 0.326 nan 8.360 nan 0.000 0.477 288 P HA -0.260 nan 4.420 nan 0.000 0.216 288 P C 1.190 178.626 177.300 0.227 0.000 1.153 288 P CA 1.292 64.504 63.100 0.187 0.000 0.858 288 P CB 0.214 32.055 31.700 0.235 0.000 0.789 289 E N -0.120 120.228 120.200 0.247 0.000 2.085 289 E HA -0.279 4.070 4.350 -0.002 0.000 0.194 289 E C 1.993 178.603 176.600 0.016 0.000 0.994 289 E CA 1.379 57.876 56.400 0.162 0.000 0.801 289 E CB -0.186 29.637 29.700 0.204 0.000 0.743 289 E HN -0.086 nan 8.360 nan 0.000 0.453 290 K N 0.564 120.982 120.400 0.031 0.000 2.057 290 K HA -0.072 4.247 4.320 -0.002 0.000 0.206 290 K C 2.127 178.710 176.600 -0.029 0.000 1.050 290 K CA 1.670 57.958 56.287 0.000 0.000 0.935 290 K CB -0.664 31.838 32.500 0.004 0.000 0.715 290 K HN 0.044 nan 8.250 nan 0.000 0.439 291 S N -0.439 115.247 115.700 -0.022 0.000 2.368 291 S HA -0.083 4.386 4.470 -0.002 0.000 0.225 291 S C 1.785 176.315 174.600 -0.116 0.000 1.030 291 S CA 1.265 59.435 58.200 -0.050 0.000 0.999 291 S CB -0.298 62.895 63.200 -0.013 0.000 0.844 291 S HN 0.300 nan 8.310 nan 0.000 0.459 292 I N 2.092 122.580 120.570 -0.137 0.000 2.315 292 I HA 0.017 4.186 4.170 -0.002 0.000 0.248 292 I C 2.545 178.534 176.117 -0.214 0.000 1.117 292 I CA 1.016 62.169 61.300 -0.244 0.000 1.404 292 I CB -0.903 36.806 38.000 -0.486 0.000 1.071 292 I HN 0.347 nan 8.210 nan 0.000 0.419 293 A N -0.451 122.295 122.820 -0.123 0.000 2.070 293 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 293 A C 1.949 179.557 177.584 0.039 0.000 1.159 293 A CA 1.313 53.356 52.037 0.009 0.000 0.656 293 A CB -0.516 18.488 19.000 0.006 0.000 0.800 293 A HN 0.519 nan 8.150 nan 0.000 0.453 294 E N -1.502 118.625 120.200 -0.122 0.000 2.465 294 E HA 0.302 4.652 4.350 -0.002 0.000 0.195 294 E C 0.838 177.163 176.600 -0.459 0.000 1.028 294 E CA 0.228 56.537 56.400 -0.152 0.000 0.899 294 E CB 0.098 29.741 29.700 -0.095 0.000 1.032 294 E HN 0.691 nan 8.360 nan 0.000 0.468 295 G N 1.390 109.595 108.800 -0.991 0.000 2.131 295 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.223 295 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.223 295 G C 1.027 175.583 174.900 -0.572 0.000 0.990 295 G CA 0.220 44.489 45.100 -1.383 0.000 0.671 295 G HN 0.395 nan 8.290 nan 0.000 0.521 296 A N -0.354 122.252 122.820 -0.356 0.000 2.019 296 A HA 0.468 4.787 4.320 -0.002 0.000 0.219 296 A C 2.168 179.660 177.584 -0.153 0.000 1.164 296 A CA 2.127 54.048 52.037 -0.193 0.000 0.644 296 A CB -0.163 18.766 19.000 -0.118 0.000 0.805 296 A HN 1.935 nan 8.150 nan 0.000 0.449 297 A N -0.468 122.256 122.820 -0.160 0.000 2.827 297 A HA 0.527 4.846 4.320 -0.002 0.000 0.300 297 A C 0.694 178.247 177.584 -0.051 0.000 1.237 297 A CA 0.305 52.296 52.037 -0.076 0.000 0.964 297 A CB -0.600 18.404 19.000 0.008 0.000 1.143 297 A HN 0.325 nan 8.150 nan 0.000 0.554 298 S N 0.025 115.672 115.700 -0.088 0.000 2.563 298 S HA 0.358 4.827 4.470 -0.002 0.000 0.294 298 S C 1.553 176.170 174.600 0.029 0.000 1.279 298 S CA 1.361 59.569 58.200 0.013 0.000 1.069 298 S CB 0.005 63.210 63.200 0.007 0.000 0.828 298 S HN 2.014 nan 8.310 nan 0.000 0.497 299 G N 3.906 112.746 108.800 0.067 0.000 2.162 299 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.260 299 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.260 299 G C 0.125 175.052 174.900 0.044 0.000 0.976 299 G CA 0.360 45.487 45.100 0.045 0.000 0.655 299 G HN 0.771 nan 8.290 nan 0.000 0.533 300 I N 2.010 122.617 120.570 0.062 0.000 2.306 300 I HA 0.257 4.426 4.170 -0.002 0.000 0.288 300 I C -2.056 174.155 176.117 0.157 0.000 1.036 300 I CA -2.250 59.108 61.300 0.096 0.000 1.221 300 I CB 1.457 39.519 38.000 0.104 0.000 1.385 300 I HN -0.148 nan 8.210 nan 0.000 0.472 301 P HA 0.069 nan 4.420 nan 0.000 0.266 301 P C -0.933 176.641 177.300 0.457 0.000 1.195 301 P CA -0.130 63.148 63.100 0.297 0.000 0.768 301 P CB 0.640 32.519 31.700 0.298 0.000 0.838 302 L N 4.218 125.665 121.223 0.374 0.000 2.409 302 L HA 0.594 4.933 4.340 -0.002 0.000 0.272 302 L C -1.698 175.177 176.870 0.009 0.000 0.980 302 L CA -0.833 54.150 54.840 0.237 0.000 0.826 302 L CB 1.743 43.906 42.059 0.174 0.000 1.268 302 L HN 0.108 nan 8.230 nan 0.000 0.407 303 L N 6.700 127.707 121.223 -0.361 0.000 2.305 303 L HA 0.748 5.087 4.340 -0.002 0.000 0.284 303 L C -1.207 175.508 176.870 -0.257 0.000 1.013 303 L CA -0.053 54.438 54.840 -0.582 0.000 0.819 303 L CB 1.223 42.423 42.059 -1.432 0.000 1.227 303 L HN 0.726 nan 8.230 nan 0.000 0.417 304 I N 3.911 124.410 120.570 -0.118 0.000 2.827 304 I HA 0.889 5.058 4.170 -0.002 0.000 0.298 304 I C -0.533 175.364 176.117 -0.367 0.000 1.235 304 I CA -0.079 61.154 61.300 -0.112 0.000 1.021 304 I CB 2.133 40.083 38.000 -0.083 0.000 1.259 304 I HN 0.749 nan 8.210 nan 0.000 0.427 305 G N 3.039 111.488 108.800 -0.584 0.000 2.554 305 G HA2 0.664 4.623 3.960 -0.002 0.000 0.306 305 G HA3 0.664 4.623 3.960 -0.002 0.000 0.306 305 G C -1.308 173.332 174.900 -0.434 0.000 1.320 305 G CA 0.101 44.509 45.100 -1.154 0.000 0.800 305 G HN 0.756 nan 8.290 nan 0.000 0.481 306 T N -2.956 111.482 114.554 -0.194 0.000 2.787 306 T HA 0.763 5.112 4.350 -0.002 0.000 0.297 306 T C -0.040 174.873 174.700 0.354 0.000 1.221 306 T CA 0.132 62.340 62.100 0.180 0.000 1.006 306 T CB 1.329 70.354 68.868 0.261 0.000 1.328 306 T HN 1.518 nan 8.240 nan 0.000 0.509 307 T N -1.492 113.269 114.554 0.345 0.000 2.928 307 T HA 0.459 4.808 4.350 -0.002 0.000 0.284 307 T C 1.131 176.033 174.700 0.336 0.000 1.008 307 T CA -0.932 61.424 62.100 0.428 0.000 1.057 307 T CB 1.777 70.895 68.868 0.417 0.000 1.018 307 T HN 0.847 nan 8.240 nan 0.000 0.493 308 R N 0.321 121.001 120.500 0.300 0.000 2.096 308 R HA -0.065 4.274 4.340 -0.002 0.000 0.235 308 R C 0.011 176.432 176.300 0.202 0.000 1.127 308 R CA 1.474 57.697 56.100 0.205 0.000 0.968 308 R CB -0.049 30.330 30.300 0.131 0.000 0.861 308 R HN 0.699 nan 8.270 nan 0.000 0.440 309 D N 0.512 121.040 120.400 0.212 0.000 2.892 309 D HA 0.036 4.675 4.640 -0.002 0.000 0.291 309 D C 0.490 177.030 176.300 0.400 0.000 1.341 309 D CA -0.147 54.019 54.000 0.276 0.000 0.844 309 D CB 0.752 41.529 40.800 -0.039 0.000 1.093 309 D HN 0.177 nan 8.370 nan 0.000 0.480 310 E N 1.019 121.425 120.200 0.344 0.000 2.068 310 E HA -0.212 4.137 4.350 -0.002 0.000 0.207 310 E C 2.076 178.960 176.600 0.473 0.000 1.032 310 E CA 1.540 58.124 56.400 0.306 0.000 0.839 310 E CB -0.404 29.334 29.700 0.063 0.000 0.758 310 E HN 0.396 nan 8.360 nan 0.000 0.457 311 G N -0.092 108.955 108.800 0.413 0.000 2.501 311 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.220 311 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.220 311 G C 1.139 176.342 174.900 0.505 0.000 1.114 311 G CA 0.586 45.920 45.100 0.389 0.000 0.757 311 G HN 0.260 nan 8.290 nan 0.000 0.559 312 Y N -0.844 119.728 120.300 0.453 0.000 2.639 312 Y HA 0.116 4.665 4.550 -0.002 0.000 0.297 312 Y C 2.278 178.528 175.900 0.583 0.000 1.151 312 Y CA 0.291 58.663 58.100 0.453 0.000 1.335 312 Y CB 0.075 38.684 38.460 0.248 0.000 0.994 312 Y HN 0.235 nan 8.280 nan 0.000 0.548 313 L N -1.882 119.784 121.223 0.738 0.000 2.567 313 L HA 0.102 4.441 4.340 -0.002 0.000 0.225 313 L C 0.848 177.794 176.870 0.127 0.000 1.119 313 L CA 1.089 56.167 54.840 0.396 0.000 0.871 313 L CB -0.357 41.911 42.059 0.348 0.000 1.036 313 L HN 0.020 nan 8.230 nan 0.000 0.459 314 F N -1.442 118.585 119.950 0.128 0.000 2.749 314 F HA 0.310 4.835 4.527 -0.002 0.000 0.300 314 F C 0.195 175.638 175.800 -0.593 0.000 1.103 314 F CA -0.195 57.684 58.000 -0.201 0.000 1.342 314 F CB -0.015 38.842 39.000 -0.238 0.000 1.098 314 F HN -0.161 nan 8.300 nan 0.000 0.586 315 F N -1.904 118.157 119.950 0.184 0.000 2.685 315 F HA 0.530 5.056 4.527 -0.002 0.000 0.315 315 F C 0.105 175.943 175.800 0.063 0.000 1.126 315 F CA -1.181 56.867 58.000 0.081 0.000 0.950 315 F CB 1.219 40.231 39.000 0.021 0.000 1.360 315 F HN -0.534 nan 8.300 nan 0.000 0.469 316 T N -0.555 114.146 114.554 0.245 0.000 2.942 316 T HA 0.252 4.601 4.350 -0.002 0.000 0.289 316 T C 0.764 175.534 174.700 0.118 0.000 1.044 316 T CA -0.322 61.862 62.100 0.140 0.000 1.023 316 T CB 1.643 70.560 68.868 0.081 0.000 1.123 316 T HN 0.689 nan 8.240 nan 0.000 0.512 317 S N 0.329 116.080 115.700 0.084 0.000 2.469 317 S HA -0.096 4.373 4.470 -0.002 0.000 0.238 317 S C 0.732 175.354 174.600 0.037 0.000 0.998 317 S CA 0.985 59.218 58.200 0.055 0.000 0.957 317 S CB -0.151 63.079 63.200 0.049 0.000 0.764 317 S HN 0.671 nan 8.310 nan 0.000 0.514 318 D N 1.226 121.653 120.400 0.046 0.000 2.402 318 D HA 0.253 4.892 4.640 -0.002 0.000 0.216 318 D C -0.273 176.056 176.300 0.048 0.000 1.128 318 D CA 0.028 54.050 54.000 0.036 0.000 0.833 318 D CB 0.592 41.410 40.800 0.030 0.000 0.971 318 D HN 0.300 nan 8.370 nan 0.000 0.503 319 S N 1.323 117.070 115.700 0.078 0.000 2.572 319 S HA 0.038 4.507 4.470 -0.002 0.000 0.279 319 S C 0.289 174.931 174.600 0.069 0.000 1.341 319 S CA -0.279 57.991 58.200 0.117 0.000 1.043 319 S CB 1.225 64.588 63.200 0.273 0.000 0.887 319 S HN 0.099 nan 8.310 nan 0.000 0.516 320 D N 1.506 121.948 120.400 0.071 0.000 2.382 320 D HA 0.145 4.785 4.640 -0.002 0.000 0.245 320 D C -0.244 176.063 176.300 0.012 0.000 1.120 320 D CA -0.080 53.939 54.000 0.033 0.000 0.890 320 D CB 0.824 41.644 40.800 0.032 0.000 1.201 320 D HN 0.130 nan 8.370 nan 0.000 0.433 321 V N 4.413 124.313 119.914 -0.023 0.000 2.427 321 V HA 0.073 4.192 4.120 -0.002 0.000 0.268 321 V C 0.931 177.001 176.094 -0.041 0.000 1.046 321 V CA -0.541 61.725 62.300 -0.058 0.000 0.970 321 V CB 0.380 32.166 31.823 -0.062 0.000 1.001 321 V HN 0.286 nan 8.190 nan 0.000 0.476 322 R N 2.965 123.435 120.500 -0.051 0.000 2.679 322 R HA 0.257 4.596 4.340 -0.002 0.000 0.269 322 R C 0.792 177.067 176.300 -0.042 0.000 1.076 322 R CA -0.118 55.960 56.100 -0.037 0.000 1.160 322 R CB 0.431 30.706 30.300 -0.043 0.000 1.054 322 R HN 0.856 nan 8.270 nan 0.000 0.507 323 S N 0.231 115.913 115.700 -0.030 0.000 2.589 323 S HA -0.045 4.424 4.470 -0.002 0.000 0.265 323 S C 1.106 175.690 174.600 -0.027 0.000 1.342 323 S CA -0.454 57.731 58.200 -0.024 0.000 1.005 323 S CB 0.948 64.138 63.200 -0.016 0.000 0.909 323 S HN 0.561 nan 8.310 nan 0.000 0.555 324 Q N 0.815 120.605 119.800 -0.017 0.000 2.167 324 Q HA -0.119 4.220 4.340 -0.002 0.000 0.202 324 Q C 1.828 177.823 176.000 -0.009 0.000 0.970 324 Q CA 2.085 57.882 55.803 -0.009 0.000 0.855 324 Q CB -0.417 28.321 28.738 0.001 0.000 0.911 324 Q HN 0.900 nan 8.270 nan 0.000 0.438 325 E N -1.021 119.174 120.200 -0.008 0.000 2.110 325 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 325 E C 1.841 178.433 176.600 -0.012 0.000 0.988 325 E CA 1.529 57.926 56.400 -0.005 0.000 0.804 325 E CB -0.136 29.562 29.700 -0.003 0.000 0.745 325 E HN 0.339 nan 8.360 nan 0.000 0.458 326 T N 1.772 116.310 114.554 -0.026 0.000 2.777 326 T HA -0.066 4.283 4.350 -0.002 0.000 0.266 326 T C 1.997 176.656 174.700 -0.068 0.000 1.040 326 T CA 0.743 62.816 62.100 -0.045 0.000 1.141 326 T CB -0.132 68.702 68.868 -0.057 0.000 0.868 326 T HN 0.084 nan 8.240 nan 0.000 0.444 327 L N 0.980 122.161 121.223 -0.071 0.000 2.056 327 L HA -0.093 4.247 4.340 -0.002 0.000 0.207 327 L C 2.414 179.251 176.870 -0.055 0.000 1.078 327 L CA 1.132 55.916 54.840 -0.094 0.000 0.749 327 L CB -0.633 41.383 42.059 -0.073 0.000 0.901 327 L HN 0.192 nan 8.230 nan 0.000 0.433 328 D N 0.441 120.832 120.400 -0.016 0.000 2.178 328 D HA -0.125 4.514 4.640 -0.002 0.000 0.202 328 D C 2.202 178.514 176.300 0.021 0.000 0.974 328 D CA 1.411 55.418 54.000 0.011 0.000 0.841 328 D CB 0.116 40.927 40.800 0.019 0.000 0.953 328 D HN 0.327 nan 8.370 nan 0.000 0.478 329 A N 1.088 123.917 122.820 0.015 0.000 1.929 329 A HA 0.071 4.390 4.320 -0.002 0.000 0.216 329 A C 2.312 179.943 177.584 0.079 0.000 1.176 329 A CA 1.638 53.701 52.037 0.043 0.000 0.628 329 A CB -0.394 18.623 19.000 0.029 0.000 0.816 329 A HN 0.223 nan 8.150 nan 0.000 0.444 330 A N -0.318 122.521 122.820 0.031 0.000 1.929 330 A HA 0.073 4.392 4.320 -0.002 0.000 0.216 330 A C 2.130 179.786 177.584 0.119 0.000 1.176 330 A CA 1.222 53.304 52.037 0.075 0.000 0.628 330 A CB -0.477 18.492 19.000 -0.053 0.000 0.816 330 A HN 0.451 nan 8.150 nan 0.000 0.444 331 L N -0.676 120.574 121.223 0.046 0.000 2.027 331 L HA -0.190 4.149 4.340 -0.002 0.000 0.206 331 L C 2.641 179.558 176.870 0.077 0.000 1.074 331 L CA 1.615 56.479 54.840 0.040 0.000 0.745 331 L CB -0.598 41.475 42.059 0.024 0.000 0.898 331 L HN 0.467 nan 8.230 nan 0.000 0.433 332 E N -0.744 119.505 120.200 0.082 0.000 2.058 332 E HA -0.285 4.064 4.350 -0.002 0.000 0.194 332 E C 2.027 178.687 176.600 0.101 0.000 0.997 332 E CA 1.626 58.069 56.400 0.073 0.000 0.801 332 E CB -0.276 29.460 29.700 0.060 0.000 0.746 332 E HN 0.390 nan 8.360 nan 0.000 0.450 333 Y N 1.991 122.296 120.300 0.008 0.000 2.070 333 Y HA -0.289 4.260 4.550 -0.002 0.000 0.280 333 Y C 2.482 178.369 175.900 -0.021 0.000 1.148 333 Y CA 1.895 59.997 58.100 0.003 0.000 1.125 333 Y CB -0.529 37.951 38.460 0.033 0.000 0.975 333 Y HN -0.102 nan 8.280 nan 0.000 0.492 334 S N 0.766 116.691 115.700 0.376 0.000 2.344 334 S HA -0.142 4.327 4.470 -0.002 0.000 0.217 334 S C 1.915 176.543 174.600 0.047 0.000 1.033 334 S CA 1.513 59.824 58.200 0.184 0.000 1.017 334 S CB -0.773 62.466 63.200 0.064 0.000 0.941 334 S HN 0.370 nan 8.310 nan 0.000 0.430 335 L N 0.144 121.382 121.223 0.027 0.000 1.883 335 L HA 0.285 4.624 4.340 -0.002 0.000 0.221 335 L C 1.654 178.518 176.870 -0.012 0.000 1.122 335 L CA 0.930 55.760 54.840 -0.016 0.000 1.006 335 L CB -0.915 41.142 42.059 -0.003 0.000 0.960 335 L HN 0.558 nan 8.230 nan 0.000 0.533 336 G N -1.859 106.942 108.800 0.002 0.000 2.565 336 G HA2 0.144 4.103 3.960 -0.002 0.000 0.142 336 G HA3 0.144 4.103 3.960 -0.002 0.000 0.142 336 G C -0.134 174.770 174.900 0.007 0.000 1.181 336 G CA -0.113 44.985 45.100 -0.003 0.000 1.066 336 G HN 0.135 nan 8.290 nan 0.000 0.530 337 K N 0.956 121.360 120.400 0.006 0.000 1.992 337 K HA 0.132 4.452 4.320 -0.002 0.000 0.210 337 K C -0.582 176.029 176.600 0.018 0.000 1.036 337 K CA 1.512 57.805 56.287 0.010 0.000 0.946 337 K CB -0.453 32.051 32.500 0.007 0.000 0.742 337 K HN 0.289 nan 8.250 nan 0.000 0.442 338 P HA -0.051 nan 4.420 nan 0.000 0.219 338 P C 1.535 178.855 177.300 0.033 0.000 1.154 338 P CA 1.140 64.256 63.100 0.027 0.000 0.826 338 P CB 0.079 31.795 31.700 0.027 0.000 0.795 339 L N -0.361 120.881 121.223 0.031 0.000 2.129 339 L HA -0.189 4.150 4.340 -0.002 0.000 0.212 339 L C 2.693 179.590 176.870 0.045 0.000 1.087 339 L CA 1.674 56.535 54.840 0.035 0.000 0.757 339 L CB -0.951 41.115 42.059 0.012 0.000 0.896 339 L HN -0.006 nan 8.230 nan 0.000 0.434 340 A N -0.392 122.452 122.820 0.040 0.000 1.874 340 A HA -0.187 4.132 4.320 -0.002 0.000 0.214 340 A C 2.122 179.739 177.584 0.054 0.000 1.189 340 A CA 1.302 53.370 52.037 0.050 0.000 0.615 340 A CB -0.344 18.681 19.000 0.042 0.000 0.830 340 A HN 0.346 nan 8.150 nan 0.000 0.443 341 E N 0.676 120.902 120.200 0.043 0.000 2.013 341 E HA -0.171 4.178 4.350 -0.002 0.000 0.202 341 E C 1.129 177.756 176.600 0.046 0.000 1.018 341 E CA 1.328 57.751 56.400 0.039 0.000 0.834 341 E CB -0.109 29.610 29.700 0.031 0.000 0.770 341 E HN 0.266 nan 8.360 nan 0.000 0.459 342 K N -0.917 119.510 120.400 0.046 0.000 2.126 342 K HA 0.286 4.605 4.320 -0.002 0.000 0.257 342 K C 0.293 176.932 176.600 0.064 0.000 1.007 342 K CA 0.588 56.903 56.287 0.048 0.000 0.928 342 K CB 0.941 33.468 32.500 0.044 0.000 1.013 342 K HN 0.377 nan 8.250 nan 0.000 0.473 343 A N 1.331 124.188 122.820 0.060 0.000 3.601 343 A HA -0.269 4.050 4.320 -0.002 0.000 0.266 343 A C 1.475 179.134 177.584 0.125 0.000 1.077 343 A CA 1.715 53.798 52.037 0.077 0.000 1.228 343 A CB -2.298 16.765 19.000 0.106 0.000 1.099 343 A HN 0.854 nan 8.150 nan 0.000 0.916 344 A N 0.642 123.533 122.820 0.117 0.000 1.969 344 A HA 0.083 4.402 4.320 -0.002 0.000 0.218 344 A C 1.381 179.041 177.584 0.126 0.000 1.169 344 A CA 1.953 54.082 52.037 0.152 0.000 0.635 344 A CB -0.746 18.311 19.000 0.095 0.000 0.810 344 A HN 1.289 nan 8.150 nan 0.000 0.445 345 D N -0.562 119.872 120.400 0.056 0.000 2.392 345 D HA -0.068 4.571 4.640 -0.002 0.000 0.228 345 D C 1.257 177.533 176.300 -0.040 0.000 1.003 345 D CA 0.495 54.505 54.000 0.016 0.000 0.917 345 D CB -0.263 40.539 40.800 0.004 0.000 0.890 345 D HN 0.330 nan 8.370 nan 0.000 0.532 346 L N -0.865 120.299 121.223 -0.098 0.000 2.492 346 L HA 0.163 4.502 4.340 -0.002 0.000 0.223 346 L C -0.233 176.296 176.870 -0.568 0.000 1.132 346 L CA 0.729 55.351 54.840 -0.363 0.000 0.850 346 L CB -0.265 41.480 42.059 -0.523 0.000 0.966 346 L HN 0.039 nan 8.230 nan 0.000 0.454 347 Y N 1.062 121.370 120.300 0.013 0.000 2.562 347 Y HA 0.424 4.973 4.550 -0.002 0.000 0.363 347 Y C -2.212 173.679 175.900 -0.015 0.000 0.991 347 Y CA -2.738 55.365 58.100 0.005 0.000 1.121 347 Y CB -0.140 38.323 38.460 0.004 0.000 1.159 347 Y HN 0.079 nan 8.280 nan 0.000 0.651 348 P HA 0.081 nan 4.420 nan 0.000 0.271 348 P C -0.152 177.158 177.300 0.017 0.000 1.216 348 P CA -0.316 62.804 63.100 0.033 0.000 0.771 348 P CB 0.930 32.633 31.700 0.005 0.000 0.864 349 R N 2.077 122.580 120.500 0.004 0.000 2.560 349 R HA 0.121 4.460 4.340 -0.002 0.000 0.296 349 R C 0.493 176.767 176.300 -0.044 0.000 0.873 349 R CA 1.278 57.364 56.100 -0.023 0.000 1.140 349 R CB -0.468 29.819 30.300 -0.022 0.000 0.875 349 R HN 0.815 nan 8.270 nan 0.000 0.419 350 S N 1.224 116.877 115.700 -0.078 0.000 2.727 350 S HA -0.012 4.457 4.470 -0.002 0.000 0.275 350 S C -0.094 174.395 174.600 -0.185 0.000 0.995 350 S CA -0.977 57.160 58.200 -0.106 0.000 0.893 350 S CB 0.296 63.444 63.200 -0.087 0.000 1.135 350 S HN 0.363 nan 8.310 nan 0.000 0.460 351 L N 1.578 122.680 121.223 -0.202 0.000 2.046 351 L HA 0.128 4.467 4.340 -0.002 0.000 0.208 351 L C 2.458 179.083 176.870 -0.408 0.000 1.077 351 L CA 2.686 57.342 54.840 -0.307 0.000 0.747 351 L CB -0.938 40.993 42.059 -0.213 0.000 0.896 351 L HN 1.000 nan 8.230 nan 0.000 0.432 352 E N -0.981 119.022 120.200 -0.330 0.000 2.058 352 E HA -0.221 4.128 4.350 -0.002 0.000 0.194 352 E C 2.081 178.337 176.600 -0.573 0.000 0.997 352 E CA 1.535 57.651 56.400 -0.473 0.000 0.801 352 E CB -0.097 29.423 29.700 -0.300 0.000 0.746 352 E HN 0.587 nan 8.360 nan 0.000 0.450 353 S N 0.774 116.313 115.700 -0.269 0.000 2.382 353 S HA -0.220 4.249 4.470 -0.002 0.000 0.228 353 S C 1.968 176.525 174.600 -0.072 0.000 1.027 353 S CA 1.545 59.720 58.200 -0.043 0.000 0.991 353 S CB -0.263 62.969 63.200 0.053 0.000 0.823 353 S HN 0.483 nan 8.310 nan 0.000 0.469 354 Q N 0.552 120.174 119.800 -0.296 0.000 2.172 354 Q HA 0.024 4.363 4.340 -0.002 0.000 0.200 354 Q C 1.983 177.719 176.000 -0.440 0.000 0.964 354 Q CA 1.078 56.640 55.803 -0.402 0.000 0.855 354 Q CB -0.475 27.907 28.738 -0.594 0.000 0.918 354 Q HN 0.469 nan 8.270 nan 0.000 0.444 355 I N 1.005 121.237 120.570 -0.563 0.000 2.202 355 I HA -0.240 3.929 4.170 -0.002 0.000 0.242 355 I C 2.230 178.317 176.117 -0.049 0.000 1.091 355 I CA 1.100 62.184 61.300 -0.361 0.000 1.368 355 I CB -0.421 37.196 38.000 -0.639 0.000 1.058 355 I HN 0.274 nan 8.210 nan 0.000 0.410 356 H N -0.109 118.940 119.070 -0.034 0.000 2.387 356 H HA -0.162 4.394 4.556 -0.002 0.000 0.299 356 H C 2.084 177.533 175.328 0.202 0.000 1.090 356 H CA 1.395 57.513 56.048 0.117 0.000 1.332 356 H CB -0.422 29.432 29.762 0.153 0.000 1.386 356 H HN 0.342 nan 8.280 nan 0.000 0.516 357 M N 0.114 119.841 119.600 0.212 0.000 2.159 357 M HA -0.130 4.349 4.480 -0.002 0.000 0.263 357 M C 1.942 178.315 176.300 0.122 0.000 1.063 357 M CA 1.058 56.324 55.300 -0.057 0.000 1.110 357 M CB 0.048 32.440 32.600 -0.346 0.000 1.374 357 M HN 0.016 nan 8.290 nan 0.000 0.411 358 V N 0.096 120.097 119.914 0.146 0.000 2.307 358 V HA -0.253 3.866 4.120 -0.002 0.000 0.245 358 V C 2.261 178.474 176.094 0.198 0.000 1.045 358 V CA 2.327 64.736 62.300 0.182 0.000 1.024 358 V CB -1.094 30.730 31.823 0.003 0.000 0.651 358 V HN 0.548 nan 8.190 nan 0.000 0.449 359 T N -0.130 114.588 114.554 0.274 0.000 2.652 359 T HA -0.205 4.144 4.350 -0.002 0.000 0.267 359 T C 1.642 176.577 174.700 0.391 0.000 1.039 359 T CA 1.869 64.204 62.100 0.392 0.000 1.153 359 T CB -0.387 68.682 68.868 0.335 0.000 0.863 359 T HN 0.491 nan 8.240 nan 0.000 0.428 360 D N 0.995 121.584 120.400 0.314 0.000 2.097 360 D HA 0.025 4.664 4.640 -0.002 0.000 0.197 360 D C 2.128 178.601 176.300 0.288 0.000 0.984 360 D CA 0.868 55.075 54.000 0.345 0.000 0.826 360 D CB -0.302 40.697 40.800 0.331 0.000 0.973 360 D HN 0.321 nan 8.370 nan 0.000 0.460 361 L N -0.232 121.075 121.223 0.139 0.000 2.249 361 L HA 0.053 4.392 4.340 -0.002 0.000 0.207 361 L C 2.068 178.776 176.870 -0.269 0.000 1.090 361 L CA 0.196 55.023 54.840 -0.021 0.000 0.802 361 L CB 0.024 42.079 42.059 -0.007 0.000 0.947 361 L HN 0.022 nan 8.230 nan 0.000 0.453 362 L N -1.456 119.537 121.223 -0.384 0.000 2.375 362 L HA 0.115 4.454 4.340 -0.002 0.000 0.215 362 L C 1.465 177.822 176.870 -0.855 0.000 1.108 362 L CA 1.638 55.987 54.840 -0.819 0.000 0.830 362 L CB 0.071 41.490 42.059 -1.067 0.000 0.959 362 L HN 0.021 nan 8.230 nan 0.000 0.457 363 F N -4.154 115.808 119.950 0.020 0.000 2.347 363 F HA 0.083 4.609 4.527 -0.002 0.000 0.266 363 F C 1.808 177.700 175.800 0.153 0.000 0.884 363 F CA 0.167 58.222 58.000 0.093 0.000 1.123 363 F CB -0.855 38.235 39.000 0.150 0.000 1.098 363 F HN -0.035 nan 8.300 nan 0.000 0.803 364 W N 2.343 123.801 121.300 0.263 0.000 2.353 364 W HA -0.104 4.556 4.660 -0.001 0.000 0.319 364 W C 2.760 179.386 176.519 0.178 0.000 1.207 364 W CA 2.174 59.637 57.345 0.198 0.000 1.291 364 W CB -0.295 29.281 29.460 0.193 0.000 1.159 364 W HN -0.154 nan 8.180 nan 0.000 0.478 365 R N -0.139 120.550 120.500 0.315 0.000 2.083 365 R HA -0.169 4.170 4.340 -0.002 0.000 0.237 365 R C -0.514 175.804 176.300 0.030 0.000 1.137 365 R CA 2.192 58.361 56.100 0.114 0.000 0.951 365 R CB -1.553 28.817 30.300 0.118 0.000 0.851 365 R HN 0.112 nan 8.270 nan 0.000 0.434 366 P HA -0.083 nan 4.420 nan 0.000 0.217 366 P C 0.707 178.031 177.300 0.041 0.000 1.150 366 P CA 1.872 64.991 63.100 0.032 0.000 0.832 366 P CB -0.023 31.662 31.700 -0.026 0.000 0.787 367 A N -0.683 122.118 122.820 -0.032 0.000 1.873 367 A HA -0.138 4.181 4.320 -0.002 0.000 0.215 367 A C 2.313 179.803 177.584 -0.156 0.000 1.186 367 A CA 1.701 53.688 52.037 -0.082 0.000 0.616 367 A CB -1.656 17.270 19.000 -0.123 0.000 0.823 367 A HN 0.013 nan 8.150 nan 0.000 0.442 368 V N -0.106 119.614 119.914 -0.325 0.000 2.427 368 V HA -0.224 3.895 4.120 -0.002 0.000 0.248 368 V C 3.033 179.074 176.094 -0.089 0.000 1.051 368 V CA 1.857 63.944 62.300 -0.354 0.000 1.048 368 V CB -1.166 30.262 31.823 -0.658 0.000 0.666 368 V HN 0.612 nan 8.190 nan 0.000 0.456 369 A N -0.730 122.156 122.820 0.110 0.000 1.902 369 A HA -0.212 4.108 4.320 -0.002 0.000 0.217 369 A C 2.106 179.780 177.584 0.150 0.000 1.181 369 A CA 1.866 54.031 52.037 0.213 0.000 0.623 369 A CB -0.674 18.514 19.000 0.313 0.000 0.818 369 A HN 0.478 nan 8.150 nan 0.000 0.443 370 F N 0.544 120.500 119.950 0.010 0.000 2.113 370 F HA -0.013 4.513 4.527 -0.002 0.000 0.297 370 F C 2.639 178.436 175.800 -0.004 0.000 1.103 370 F CA 1.117 59.124 58.000 0.012 0.000 1.248 370 F CB -0.326 38.672 39.000 -0.003 0.000 0.999 370 F HN 0.253 nan 8.300 nan 0.000 0.475 371 A N -0.788 122.096 122.820 0.106 0.000 1.908 371 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 371 A C 2.352 179.958 177.584 0.038 0.000 1.181 371 A CA 2.149 54.172 52.037 -0.024 0.000 0.627 371 A CB -1.222 17.582 19.000 -0.327 0.000 0.818 371 A HN 0.395 nan 8.150 nan 0.000 0.445 372 S N -0.113 115.632 115.700 0.075 0.000 2.368 372 S HA -0.043 4.426 4.470 -0.002 0.000 0.225 372 S C 2.328 176.977 174.600 0.082 0.000 1.030 372 S CA 1.217 59.478 58.200 0.102 0.000 0.999 372 S CB -0.521 62.705 63.200 0.044 0.000 0.844 372 S HN 0.810 nan 8.310 nan 0.000 0.459 373 A N 1.240 124.093 122.820 0.055 0.000 1.877 373 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 373 A C 2.118 179.767 177.584 0.107 0.000 1.186 373 A CA 1.945 54.031 52.037 0.080 0.000 0.620 373 A CB -0.783 18.169 19.000 -0.082 0.000 0.822 373 A HN 0.444 nan 8.150 nan 0.000 0.443 374 Q N 0.692 120.466 119.800 -0.043 0.000 2.224 374 Q HA -0.103 4.236 4.340 -0.002 0.000 0.203 374 Q C 1.998 178.016 176.000 0.030 0.000 0.970 374 Q CA 1.859 57.670 55.803 0.013 0.000 0.865 374 Q CB -0.541 28.162 28.738 -0.058 0.000 0.922 374 Q HN 0.744 nan 8.270 nan 0.000 0.445 375 S N -1.076 114.588 115.700 -0.060 0.000 2.500 375 S HA -0.168 4.301 4.470 -0.002 0.000 0.239 375 S C 1.229 175.619 174.600 -0.350 0.000 0.989 375 S CA 1.005 59.091 58.200 -0.190 0.000 0.951 375 S CB -0.502 62.576 63.200 -0.203 0.000 0.759 375 S HN 0.530 nan 8.310 nan 0.000 0.523 376 H N -0.967 118.006 119.070 -0.162 0.000 2.553 376 H HA 0.218 4.773 4.556 -0.002 0.000 0.265 376 H C 0.252 175.178 175.328 -0.671 0.000 0.964 376 H CA 0.638 56.437 56.048 -0.416 0.000 1.156 376 H CB 0.098 29.544 29.762 -0.527 0.000 1.411 376 H HN 0.630 nan 8.280 nan 0.000 0.558 377 Y N -0.790 119.518 120.300 0.013 0.000 2.499 377 Y HA 0.528 5.077 4.550 -0.002 0.000 0.253 377 Y C 0.780 176.666 175.900 -0.023 0.000 1.105 377 Y CA 0.093 58.190 58.100 -0.005 0.000 1.240 377 Y CB 1.366 39.821 38.460 -0.009 0.000 1.289 377 Y HN 0.093 nan 8.280 nan 0.000 0.534 378 A N -0.422 122.436 122.820 0.063 0.000 2.566 378 A HA 0.631 4.950 4.320 -0.002 0.000 0.290 378 A C -3.136 174.414 177.584 -0.055 0.000 1.071 378 A CA -1.512 50.542 52.037 0.028 0.000 0.658 378 A CB 0.443 19.488 19.000 0.075 0.000 1.285 378 A HN -0.197 nan 8.150 nan 0.000 0.427 379 P HA 0.434 nan 4.420 nan 0.000 0.271 379 P C -0.889 176.188 177.300 -0.371 0.000 1.216 379 P CA 0.035 62.971 63.100 -0.272 0.000 0.771 379 P CB 0.862 32.490 31.700 -0.121 0.000 0.864 380 V N 3.592 123.132 119.914 -0.623 0.000 2.789 380 V HA 0.531 4.650 4.120 -0.002 0.000 0.311 380 V C -1.138 174.553 176.094 -0.671 0.000 1.073 380 V CA -0.430 61.602 62.300 -0.447 0.000 0.921 380 V CB 1.944 33.688 31.823 -0.131 0.000 1.009 380 V HN 0.559 nan 8.190 nan 0.000 0.426 381 W N 3.871 125.117 121.300 -0.090 0.000 2.781 381 W HA 0.780 5.439 4.660 -0.002 0.000 0.333 381 W C -0.394 176.110 176.519 -0.025 0.000 1.047 381 W CA -0.487 56.777 57.345 -0.136 0.000 1.236 381 W CB 1.516 30.523 29.460 -0.754 0.000 1.394 381 W HN 0.217 nan 8.180 nan 0.000 0.466 382 M N 3.616 123.483 119.600 0.446 0.000 2.508 382 M HA 0.509 4.988 4.480 -0.002 0.000 0.327 382 M C -0.953 175.693 176.300 0.576 0.000 1.160 382 M CA -1.077 54.363 55.300 0.234 0.000 0.980 382 M CB 2.089 34.552 32.600 -0.228 0.000 1.693 382 M HN 0.563 nan 8.290 nan 0.000 0.452 383 Y N -0.408 120.138 120.300 0.410 0.000 2.609 383 Y HA 0.803 5.352 4.550 -0.002 0.000 0.342 383 Y C -1.470 174.611 175.900 0.301 0.000 1.058 383 Y CA -1.420 56.912 58.100 0.387 0.000 1.055 383 Y CB 1.472 40.270 38.460 0.563 0.000 1.292 383 Y HN 0.694 nan 8.280 nan 0.000 0.476 384 R N 2.634 123.423 120.500 0.481 0.000 2.538 384 R HA 0.466 4.805 4.340 -0.002 0.000 0.292 384 R C -2.316 174.294 176.300 0.515 0.000 1.008 384 R CA -0.778 55.574 56.100 0.419 0.000 0.896 384 R CB 1.321 31.792 30.300 0.284 0.000 1.187 384 R HN 0.828 nan 8.270 nan 0.000 0.440 385 F N 4.371 124.570 119.950 0.416 0.000 2.404 385 F HA 0.267 4.793 4.527 -0.002 0.000 0.358 385 F C 0.004 175.918 175.800 0.191 0.000 1.120 385 F CA -0.082 58.080 58.000 0.270 0.000 1.144 385 F CB 1.238 40.404 39.000 0.277 0.000 1.133 385 F HN 0.639 nan 8.300 nan 0.000 0.495 386 D N 4.248 124.484 120.400 -0.273 0.000 2.423 386 D HA -0.021 4.618 4.640 -0.002 0.000 0.208 386 D C -0.214 175.884 176.300 -0.336 0.000 1.068 386 D CA 0.246 54.132 54.000 -0.190 0.000 0.860 386 D CB -0.133 40.592 40.800 -0.125 0.000 0.992 386 D HN 0.583 nan 8.370 nan 0.000 0.504 387 W N 2.640 123.394 121.300 -0.910 0.000 2.148 387 W HA 0.252 4.911 4.660 -0.001 0.000 0.347 387 W C 0.183 176.547 176.519 -0.258 0.000 1.288 387 W CA 0.857 57.785 57.345 -0.697 0.000 1.252 387 W CB 0.271 29.218 29.460 -0.855 0.000 1.156 387 W HN 0.152 nan 8.180 nan 0.000 0.580 388 H N 1.363 119.517 119.070 -1.527 0.000 2.938 388 H HA 0.382 4.937 4.556 -0.002 0.000 0.273 388 H C -2.984 171.509 175.328 -1.393 0.000 1.380 388 H CA -2.006 53.184 56.048 -1.429 0.000 1.314 388 H CB 0.109 29.549 29.762 -0.538 0.000 1.880 388 H HN 0.115 nan 8.280 nan 0.000 0.489 389 P HA 0.117 nan 4.420 nan 0.000 0.269 389 P C 0.328 177.624 177.300 -0.006 0.000 1.215 389 P CA -0.131 62.826 63.100 -0.238 0.000 0.780 389 P CB 0.929 32.623 31.700 -0.010 0.000 0.898 390 E N 0.617 120.798 120.200 -0.033 0.000 2.158 390 E HA -0.069 4.280 4.350 -0.002 0.000 0.191 390 E C -0.004 176.617 176.600 0.035 0.000 0.982 390 E CA 0.810 57.218 56.400 0.013 0.000 0.823 390 E CB 0.080 29.768 29.700 -0.021 0.000 0.766 390 E HN 0.422 nan 8.360 nan 0.000 0.468 391 K N 1.891 122.315 120.400 0.040 0.000 2.322 391 K HA 0.176 4.495 4.320 -0.002 0.000 0.283 391 K C -2.454 174.192 176.600 0.077 0.000 1.042 391 K CA -1.670 54.647 56.287 0.050 0.000 0.958 391 K CB 0.865 33.397 32.500 0.053 0.000 0.984 391 K HN -0.117 nan 8.250 nan 0.000 0.473 392 P HA 0.017 nan 4.420 nan 0.000 0.273 392 P C -1.905 175.491 177.300 0.160 0.000 1.250 392 P CA -0.899 62.246 63.100 0.076 0.000 0.793 392 P CB 0.216 31.937 31.700 0.035 0.000 1.011 393 P HA 0.098 nan 4.420 nan 0.000 0.262 393 P C -0.284 177.047 177.300 0.051 0.000 1.304 393 P CA 0.596 63.730 63.100 0.056 0.000 0.859 393 P CB 0.210 31.892 31.700 -0.030 0.000 1.310 394 Y N 1.656 122.061 120.300 0.175 0.000 2.645 394 Y HA 0.114 4.663 4.550 -0.002 0.000 0.307 394 Y C 1.323 177.316 175.900 0.154 0.000 1.151 394 Y CA -0.642 57.676 58.100 0.364 0.000 1.291 394 Y CB -0.747 37.869 38.460 0.259 0.000 1.135 394 Y HN 0.063 nan 8.280 nan 0.000 0.523 395 N N 0.674 119.353 118.700 -0.034 0.000 3.052 395 N HA 0.059 4.798 4.740 -0.002 0.000 0.302 395 N C -0.668 174.107 175.510 -1.226 0.000 1.332 395 N CA 0.011 52.807 53.050 -0.423 0.000 1.129 395 N CB 0.048 38.400 38.487 -0.225 0.000 1.436 395 N HN 0.034 nan 8.380 nan 0.000 0.536 396 K N -0.104 119.553 120.400 -1.238 0.000 2.502 396 K HA 0.407 4.726 4.320 -0.002 0.000 0.257 396 K C -0.995 175.069 176.600 -0.893 0.000 0.938 396 K CA -0.701 54.751 56.287 -1.393 0.000 0.819 396 K CB 2.285 33.759 32.500 -1.709 0.000 1.333 396 K HN 0.148 nan 8.250 nan 0.000 0.434 397 A N 3.278 125.892 122.820 -0.343 0.000 3.037 397 A HA 0.356 4.675 4.320 -0.002 0.000 0.272 397 A C -0.288 177.396 177.584 0.167 0.000 1.723 397 A CA -0.281 51.834 52.037 0.130 0.000 1.413 397 A CB -1.253 17.906 19.000 0.266 0.000 1.112 397 A HN 0.493 nan 8.150 nan 0.000 0.606 398 F N 0.203 120.321 119.950 0.279 0.000 2.586 398 F HA 0.108 4.634 4.527 -0.002 0.000 0.344 398 F C 1.418 177.400 175.800 0.302 0.000 1.188 398 F CA 0.350 58.528 58.000 0.297 0.000 1.359 398 F CB 0.296 39.452 39.000 0.261 0.000 1.129 398 F HN 0.633 nan 8.300 nan 0.000 0.609 399 H N 1.599 120.922 119.070 0.421 0.000 3.001 399 H HA 0.297 4.852 4.556 -0.002 0.000 0.334 399 H C 0.624 176.082 175.328 0.216 0.000 1.034 399 H CA 0.202 56.379 56.048 0.215 0.000 1.420 399 H CB 0.354 30.263 29.762 0.246 0.000 1.405 399 H HN 0.763 nan 8.280 nan 0.000 0.593 400 A N 3.527 126.195 122.820 -0.253 0.000 3.383 400 A HA -0.274 4.045 4.320 -0.002 0.000 0.264 400 A C 1.588 179.189 177.584 0.028 0.000 1.154 400 A CA 1.034 52.974 52.037 -0.161 0.000 1.179 400 A CB -2.293 16.600 19.000 -0.178 0.000 1.133 400 A HN 0.647 nan 8.150 nan 0.000 0.933 401 L N 0.955 122.262 121.223 0.141 0.000 2.362 401 L HA -0.052 4.287 4.340 -0.002 0.000 0.219 401 L C 2.406 179.344 176.870 0.113 0.000 1.134 401 L CA 2.674 57.681 54.840 0.279 0.000 0.807 401 L CB -0.391 42.014 42.059 0.576 0.000 0.927 401 L HN 0.662 nan 8.230 nan 0.000 0.447 402 E N -0.742 119.248 120.200 -0.351 0.000 2.371 402 E HA -0.154 4.195 4.350 -0.002 0.000 0.194 402 E C 2.014 178.562 176.600 -0.087 0.000 1.012 402 E CA 0.616 56.639 56.400 -0.628 0.000 0.860 402 E CB -0.522 28.527 29.700 -1.085 0.000 0.811 402 E HN 0.550 nan 8.360 nan 0.000 0.502 403 L N 0.743 121.973 121.223 0.011 0.000 2.013 403 L HA -0.146 4.193 4.340 -0.002 0.000 0.212 403 L C -0.304 176.600 176.870 0.056 0.000 1.073 403 L CA 1.944 56.840 54.840 0.093 0.000 0.753 403 L CB -1.776 40.359 42.059 0.127 0.000 0.890 403 L HN 0.179 nan 8.230 nan 0.000 0.432 404 P HA -0.162 nan 4.420 nan 0.000 0.218 404 P C 1.421 178.553 177.300 -0.280 0.000 1.148 404 P CA 1.457 64.434 63.100 -0.204 0.000 0.822 404 P CB -0.014 31.488 31.700 -0.331 0.000 0.784 405 F N -1.236 118.606 119.950 -0.181 0.000 2.163 405 F HA -0.129 4.397 4.527 -0.002 0.000 0.297 405 F C 2.329 177.944 175.800 -0.309 0.000 1.094 405 F CA 0.975 58.832 58.000 -0.239 0.000 1.290 405 F CB -1.514 37.337 39.000 -0.249 0.000 1.017 405 F HN -0.280 nan 8.300 nan 0.000 0.483 406 V N -0.709 119.091 119.914 -0.190 0.000 2.295 406 V HA -0.290 3.829 4.120 -0.002 0.000 0.246 406 V C 2.027 177.891 176.094 -0.383 0.000 1.049 406 V CA 1.828 63.851 62.300 -0.462 0.000 1.024 406 V CB -0.698 30.834 31.823 -0.486 0.000 0.648 406 V HN 0.204 nan 8.190 nan 0.000 0.447 407 F N 0.328 120.132 119.950 -0.242 0.000 2.512 407 F HA 0.334 4.860 4.527 -0.002 0.000 0.296 407 F C 2.007 177.682 175.800 -0.208 0.000 1.110 407 F CA 0.979 58.846 58.000 -0.222 0.000 1.446 407 F CB -0.294 38.549 39.000 -0.262 0.000 1.092 407 F HN 0.299 nan 8.300 nan 0.000 0.554 408 G N 0.035 108.791 108.800 -0.072 0.000 2.159 408 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.256 408 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.256 408 G C 0.014 174.836 174.900 -0.130 0.000 0.977 408 G CA -0.055 44.974 45.100 -0.119 0.000 0.652 408 G HN 0.290 nan 8.290 nan 0.000 0.531 409 N N 0.949 119.573 118.700 -0.127 0.000 2.767 409 N HA 0.379 5.118 4.740 -0.002 0.000 0.238 409 N C 1.587 176.966 175.510 -0.218 0.000 1.083 409 N CA -0.223 52.728 53.050 -0.165 0.000 0.964 409 N CB 0.685 39.058 38.487 -0.190 0.000 1.252 409 N HN 0.321 nan 8.380 nan 0.000 0.512 410 L N -0.133 120.952 121.223 -0.229 0.000 2.551 410 L HA -0.031 4.308 4.340 -0.002 0.000 0.228 410 L C 1.199 177.943 176.870 -0.210 0.000 1.153 410 L CA 0.572 55.247 54.840 -0.275 0.000 0.851 410 L CB -0.024 41.869 42.059 -0.277 0.000 0.959 410 L HN 0.201 nan 8.230 nan 0.000 0.451 411 D N 0.754 121.047 120.400 -0.177 0.000 2.264 411 D HA -0.110 4.529 4.640 -0.002 0.000 0.208 411 D C 2.130 178.336 176.300 -0.157 0.000 0.966 411 D CA 1.307 55.218 54.000 -0.149 0.000 0.864 411 D CB 0.066 40.782 40.800 -0.139 0.000 0.933 411 D HN 0.387 nan 8.370 nan 0.000 0.499 412 G N 0.670 109.357 108.800 -0.189 0.000 2.471 412 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.219 412 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.219 412 G C 1.728 176.554 174.900 -0.123 0.000 1.125 412 G CA 0.037 45.028 45.100 -0.182 0.000 0.775 412 G HN 0.260 nan 8.290 nan 0.000 0.548 413 L N -0.081 121.069 121.223 -0.121 0.000 2.217 413 L HA 0.027 4.366 4.340 -0.002 0.000 0.211 413 L C 2.723 179.579 176.870 -0.024 0.000 1.107 413 L CA 0.728 55.548 54.840 -0.033 0.000 0.783 413 L CB -0.225 41.798 42.059 -0.060 0.000 0.919 413 L HN 0.312 nan 8.230 nan 0.000 0.442 414 E N 0.028 120.184 120.200 -0.072 0.000 2.107 414 E HA -0.154 4.195 4.350 -0.002 0.000 0.191 414 E C 2.155 178.687 176.600 -0.114 0.000 0.982 414 E CA 0.760 57.108 56.400 -0.087 0.000 0.809 414 E CB 0.057 29.706 29.700 -0.086 0.000 0.756 414 E HN 0.444 nan 8.360 nan 0.000 0.459 415 R N -0.241 120.198 120.500 -0.101 0.000 2.210 415 R HA 0.156 4.495 4.340 -0.002 0.000 0.203 415 R C 2.140 178.396 176.300 -0.074 0.000 1.010 415 R CA 0.522 56.564 56.100 -0.096 0.000 1.008 415 R CB 0.114 30.357 30.300 -0.096 0.000 0.923 415 R HN 0.182 nan 8.270 nan 0.000 0.469 416 M N -0.928 118.645 119.600 -0.045 0.000 2.325 416 M HA 0.098 4.577 4.480 -0.002 0.000 0.265 416 M C 1.344 177.687 176.300 0.072 0.000 1.094 416 M CA 1.148 56.464 55.300 0.026 0.000 1.161 416 M CB 0.549 33.199 32.600 0.084 0.000 1.358 416 M HN 0.102 nan 8.290 nan 0.000 0.446 417 A N -0.686 122.124 122.820 -0.018 0.000 2.622 417 A HA 0.264 4.583 4.320 -0.002 0.000 0.283 417 A C 0.419 177.770 177.584 -0.388 0.000 0.998 417 A CA -0.322 51.644 52.037 -0.119 0.000 0.985 417 A CB 0.099 19.288 19.000 0.316 0.000 1.236 417 A HN 0.378 nan 8.150 nan 0.000 0.559 418 K N -0.650 119.532 120.400 -0.363 0.000 2.960 418 K HA -0.237 4.082 4.320 -0.002 0.000 0.259 418 K C 0.473 177.012 176.600 -0.103 0.000 1.025 418 K CA 0.541 56.672 56.287 -0.261 0.000 0.756 418 K CB -1.990 30.284 32.500 -0.377 0.000 1.221 418 K HN 0.954 nan 8.250 nan 0.000 0.483 419 A N 1.676 124.496 122.820 0.001 0.000 2.388 419 A HA 0.221 4.540 4.320 -0.002 0.000 0.257 419 A C 0.307 177.939 177.584 0.080 0.000 1.095 419 A CA -0.358 51.748 52.037 0.116 0.000 0.791 419 A CB 0.478 19.677 19.000 0.332 0.000 1.029 419 A HN 0.342 nan 8.150 nan 0.000 0.489 420 E N 1.712 121.965 120.200 0.089 0.000 2.331 420 E HA 0.316 4.665 4.350 -0.002 0.000 0.272 420 E C -0.789 175.844 176.600 0.054 0.000 1.036 420 E CA -0.446 55.984 56.400 0.050 0.000 0.864 420 E CB 0.480 30.207 29.700 0.045 0.000 1.035 420 E HN 0.558 nan 8.360 nan 0.000 0.408 421 I N 5.446 126.018 120.570 0.002 0.000 2.270 421 I HA 0.022 4.191 4.170 -0.002 0.000 0.300 421 I C 0.724 176.836 176.117 -0.008 0.000 1.186 421 I CA -0.222 61.061 61.300 -0.028 0.000 1.431 421 I CB -0.601 37.360 38.000 -0.066 0.000 1.485 421 I HN 0.509 nan 8.210 nan 0.000 0.650 422 T N -0.717 113.853 114.554 0.027 0.000 2.810 422 T HA 0.159 4.508 4.350 -0.002 0.000 0.277 422 T C 0.995 175.702 174.700 0.012 0.000 0.973 422 T CA -0.693 61.427 62.100 0.033 0.000 0.949 422 T CB 1.411 70.324 68.868 0.074 0.000 1.075 422 T HN 0.335 nan 8.240 nan 0.000 0.537 423 D N 0.073 120.480 120.400 0.012 0.000 2.178 423 D HA -0.068 4.571 4.640 -0.002 0.000 0.202 423 D C 1.927 178.230 176.300 0.005 0.000 0.974 423 D CA 1.069 55.068 54.000 -0.002 0.000 0.841 423 D CB 0.034 40.831 40.800 -0.004 0.000 0.953 423 D HN 0.713 nan 8.370 nan 0.000 0.478 424 E N 0.382 120.601 120.200 0.032 0.000 2.106 424 E HA -0.093 4.256 4.350 -0.002 0.000 0.192 424 E C 2.308 178.919 176.600 0.017 0.000 0.984 424 E CA 0.449 56.875 56.400 0.043 0.000 0.806 424 E CB 0.209 29.971 29.700 0.102 0.000 0.750 424 E HN 0.067 nan 8.360 nan 0.000 0.458 425 V N 1.677 121.601 119.914 0.018 0.000 2.307 425 V HA -0.256 3.863 4.120 -0.002 0.000 0.245 425 V C 2.071 178.137 176.094 -0.048 0.000 1.045 425 V CA 1.758 64.030 62.300 -0.047 0.000 1.024 425 V CB -0.346 31.422 31.823 -0.092 0.000 0.651 425 V HN 0.185 nan 8.190 nan 0.000 0.449 426 K N -0.261 120.108 120.400 -0.052 0.000 2.097 426 K HA -0.260 4.059 4.320 -0.002 0.000 0.206 426 K C 2.258 178.859 176.600 0.003 0.000 1.049 426 K CA 1.659 57.918 56.287 -0.047 0.000 0.933 426 K CB -0.202 32.270 32.500 -0.047 0.000 0.717 426 K HN 0.329 nan 8.250 nan 0.000 0.442 427 Q N 1.256 121.057 119.800 0.002 0.000 2.079 427 Q HA -0.131 4.208 4.340 -0.002 0.000 0.200 427 Q C 1.937 177.969 176.000 0.054 0.000 0.974 427 Q CA 1.194 57.008 55.803 0.018 0.000 0.840 427 Q CB -0.225 28.510 28.738 -0.005 0.000 0.898 427 Q HN 0.212 nan 8.270 nan 0.000 0.430 428 L N -0.138 121.097 121.223 0.020 0.000 2.093 428 L HA -0.069 4.270 4.340 -0.002 0.000 0.208 428 L C 2.269 179.189 176.870 0.083 0.000 1.085 428 L CA 2.221 57.051 54.840 -0.017 0.000 0.755 428 L CB -1.135 40.802 42.059 -0.202 0.000 0.904 428 L HN 0.301 nan 8.230 nan 0.000 0.435 429 S N -1.556 114.261 115.700 0.195 0.000 2.368 429 S HA -0.267 4.202 4.470 -0.002 0.000 0.225 429 S C 2.250 176.866 174.600 0.027 0.000 1.030 429 S CA 1.198 59.481 58.200 0.139 0.000 0.999 429 S CB -0.633 62.553 63.200 -0.023 0.000 0.844 429 S HN 0.756 nan 8.310 nan 0.000 0.459 430 H N 0.449 119.500 119.070 -0.031 0.000 2.353 430 H HA -0.064 4.491 4.556 -0.002 0.000 0.300 430 H C 1.921 177.235 175.328 -0.024 0.000 1.090 430 H CA 2.005 58.031 56.048 -0.035 0.000 1.327 430 H CB -0.615 29.130 29.762 -0.029 0.000 1.383 430 H HN 0.420 nan 8.280 nan 0.000 0.508 431 T N 1.421 116.001 114.554 0.043 0.000 2.737 431 T HA -0.071 4.278 4.350 -0.002 0.000 0.265 431 T C 2.389 177.065 174.700 -0.040 0.000 1.038 431 T CA 1.366 63.470 62.100 0.008 0.000 1.144 431 T CB -0.170 68.725 68.868 0.046 0.000 0.866 431 T HN 0.271 nan 8.240 nan 0.000 0.434 432 I N 0.811 121.329 120.570 -0.086 0.000 2.202 432 I HA -0.200 3.970 4.170 -0.002 0.000 0.242 432 I C 2.878 178.845 176.117 -0.250 0.000 1.091 432 I CA 1.351 62.531 61.300 -0.199 0.000 1.368 432 I CB -0.387 37.384 38.000 -0.382 0.000 1.058 432 I HN 0.290 nan 8.210 nan 0.000 0.410 433 Q N 0.505 120.151 119.800 -0.256 0.000 2.084 433 Q HA -0.191 4.148 4.340 -0.002 0.000 0.202 433 Q C 2.315 178.246 176.000 -0.115 0.000 0.978 433 Q CA 1.934 57.599 55.803 -0.230 0.000 0.844 433 Q CB 0.099 28.706 28.738 -0.218 0.000 0.898 433 Q HN 0.386 nan 8.270 nan 0.000 0.426 434 S N 0.158 115.750 115.700 -0.179 0.000 2.382 434 S HA -0.162 4.307 4.470 -0.002 0.000 0.228 434 S C 1.878 176.486 174.600 0.014 0.000 1.027 434 S CA 0.983 59.094 58.200 -0.148 0.000 0.991 434 S CB -0.270 62.768 63.200 -0.270 0.000 0.823 434 S HN 0.567 nan 8.310 nan 0.000 0.469 435 A N 0.669 123.566 122.820 0.128 0.000 1.898 435 A HA -0.052 4.267 4.320 -0.002 0.000 0.216 435 A C 1.936 179.684 177.584 0.273 0.000 1.181 435 A CA 0.756 52.941 52.037 0.247 0.000 0.620 435 A CB -0.851 18.433 19.000 0.473 0.000 0.819 435 A HN 0.695 nan 8.150 nan 0.000 0.442 436 W N -0.210 121.035 121.300 -0.092 0.000 2.358 436 W HA -0.139 4.520 4.660 -0.002 0.000 0.303 436 W C 2.001 178.464 176.519 -0.093 0.000 1.208 436 W CA 0.938 58.218 57.345 -0.109 0.000 1.274 436 W CB -0.184 29.172 29.460 -0.173 0.000 1.138 436 W HN 0.300 nan 8.180 nan 0.000 0.515 437 I N 0.003 120.641 120.570 0.114 0.000 2.202 437 I HA -0.286 3.883 4.170 -0.002 0.000 0.242 437 I C 2.257 178.365 176.117 -0.014 0.000 1.091 437 I CA 1.471 62.773 61.300 0.004 0.000 1.368 437 I CB -0.887 37.097 38.000 -0.028 0.000 1.058 437 I HN -0.184 nan 8.210 nan 0.000 0.410 438 T N 0.815 115.369 114.554 -0.001 0.000 2.833 438 T HA -0.190 4.159 4.350 -0.002 0.000 0.269 438 T C 1.642 176.302 174.700 -0.068 0.000 1.054 438 T CA 1.255 63.334 62.100 -0.034 0.000 1.135 438 T CB -0.379 68.472 68.868 -0.028 0.000 0.869 438 T HN 0.276 nan 8.240 nan 0.000 0.466 439 F N 2.343 122.165 119.950 -0.213 0.000 2.146 439 F HA 0.081 4.607 4.527 -0.001 0.000 0.298 439 F C 2.420 178.110 175.800 -0.183 0.000 1.096 439 F CA 0.829 58.660 58.000 -0.283 0.000 1.275 439 F CB -0.701 38.051 39.000 -0.413 0.000 1.008 439 F HN 0.137 nan 8.300 nan 0.000 0.480 440 A N 0.250 122.940 122.820 -0.217 0.000 1.933 440 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 440 A C 2.243 179.688 177.584 -0.232 0.000 1.175 440 A CA 1.911 53.793 52.037 -0.258 0.000 0.628 440 A CB -0.635 18.282 19.000 -0.139 0.000 0.814 440 A HN 0.488 nan 8.150 nan 0.000 0.444 441 K N -1.297 119.002 120.400 -0.168 0.000 2.116 441 K HA -0.051 4.268 4.320 -0.002 0.000 0.203 441 K C 1.849 178.367 176.600 -0.137 0.000 1.052 441 K CA 1.665 57.879 56.287 -0.121 0.000 0.952 441 K CB -0.040 32.415 32.500 -0.075 0.000 0.729 441 K HN 0.687 nan 8.250 nan 0.000 0.446 442 T N -4.865 109.584 114.554 -0.176 0.000 2.975 442 T HA 0.245 4.594 4.350 -0.002 0.000 0.261 442 T C 1.255 175.850 174.700 -0.176 0.000 0.984 442 T CA 0.409 62.423 62.100 -0.142 0.000 0.911 442 T CB 1.103 69.917 68.868 -0.091 0.000 1.127 442 T HN 0.268 nan 8.240 nan 0.000 0.514 443 G N 1.629 110.210 108.800 -0.364 0.000 2.176 443 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.253 443 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.253 443 G C -0.142 174.770 174.900 0.018 0.000 0.979 443 G CA 0.070 44.957 45.100 -0.355 0.000 0.641 443 G HN 0.828 nan 8.290 nan 0.000 0.530 444 N N 0.204 118.807 118.700 -0.161 0.000 2.399 444 N HA 0.458 5.197 4.740 -0.002 0.000 0.284 444 N C -1.996 173.209 175.510 -0.508 0.000 1.025 444 N CA -1.686 51.055 53.050 -0.515 0.000 0.885 444 N CB 2.582 40.906 38.487 -0.272 0.000 1.339 444 N HN 0.005 nan 8.380 nan 0.000 0.487 445 P HA 0.056 nan 4.420 nan 0.000 0.249 445 P C -0.171 177.041 177.300 -0.146 0.000 1.241 445 P CA 0.016 62.826 63.100 -0.482 0.000 0.781 445 P CB 0.174 31.284 31.700 -0.983 0.000 1.088 446 S N 0.473 116.079 115.700 -0.156 0.000 2.560 446 S HA 0.287 4.756 4.470 -0.002 0.000 0.284 446 S C 0.952 175.583 174.600 0.051 0.000 1.327 446 S CA 0.346 58.575 58.200 0.048 0.000 1.055 446 S CB 0.182 63.397 63.200 0.024 0.000 0.868 446 S HN 0.403 nan 8.310 nan 0.000 0.506 447 T N -0.596 114.012 114.554 0.090 0.000 2.716 447 T HA 0.438 4.787 4.350 -0.002 0.000 0.286 447 T C 0.430 175.169 174.700 0.065 0.000 1.052 447 T CA -0.849 61.291 62.100 0.066 0.000 1.024 447 T CB 0.873 69.783 68.868 0.071 0.000 1.349 447 T HN 0.306 nan 8.240 nan 0.000 0.525 448 E N -0.072 120.165 120.200 0.061 0.000 2.409 448 E HA 0.065 4.414 4.350 -0.002 0.000 0.198 448 E C 1.809 178.441 176.600 0.054 0.000 1.024 448 E CA 1.040 57.473 56.400 0.055 0.000 0.861 448 E CB -0.322 29.412 29.700 0.056 0.000 0.788 448 E HN 0.721 nan 8.360 nan 0.000 0.521 449 A N 0.053 122.910 122.820 0.062 0.000 2.220 449 A HA 0.198 4.517 4.320 -0.002 0.000 0.211 449 A C 0.604 178.208 177.584 0.033 0.000 1.176 449 A CA 0.050 52.117 52.037 0.048 0.000 0.834 449 A CB 0.849 19.886 19.000 0.061 0.000 0.868 449 A HN -0.004 nan 8.150 nan 0.000 0.488 450 V N 0.872 120.817 119.914 0.052 0.000 2.697 450 V HA 0.256 4.375 4.120 -0.002 0.000 0.300 450 V C -1.356 174.794 176.094 0.093 0.000 1.115 450 V CA -1.022 61.302 62.300 0.040 0.000 0.912 450 V CB 1.688 33.518 31.823 0.012 0.000 1.024 450 V HN 0.331 nan 8.190 nan 0.000 0.431 451 N N 4.235 122.983 118.700 0.080 0.000 2.558 451 N HA 0.149 4.888 4.740 -0.002 0.000 0.233 451 N C -0.608 175.016 175.510 0.189 0.000 1.038 451 N CA -0.416 52.708 53.050 0.124 0.000 0.934 451 N CB 0.556 39.100 38.487 0.096 0.000 1.175 451 N HN 0.742 nan 8.380 nan 0.000 0.512 452 W N 6.479 127.809 121.300 0.050 0.000 2.368 452 W HA 0.254 4.913 4.660 -0.001 0.000 0.316 452 W C -2.170 174.533 176.519 0.308 0.000 1.375 452 W CA -1.601 55.820 57.345 0.128 0.000 1.261 452 W CB 0.544 30.002 29.460 -0.003 0.000 1.298 452 W HN 0.411 nan 8.180 nan 0.000 0.539 453 P HA 0.240 nan 4.420 nan 0.000 0.285 453 P C -0.676 177.012 177.300 0.647 0.000 1.259 453 P CA -0.266 63.146 63.100 0.520 0.000 0.794 453 P CB 1.161 33.022 31.700 0.268 0.000 0.940 454 A N 3.860 126.902 122.820 0.369 0.000 2.462 454 A HA 0.090 4.409 4.320 -0.002 0.000 0.243 454 A C -0.495 177.080 177.584 -0.014 0.000 1.076 454 A CA -0.093 51.878 52.037 -0.110 0.000 0.773 454 A CB -0.449 18.372 19.000 -0.298 0.000 1.010 454 A HN 0.620 nan 8.150 nan 0.000 0.493 455 Y N 4.800 124.991 120.300 -0.182 0.000 2.350 455 Y HA 0.469 5.018 4.550 -0.002 0.000 0.340 455 Y C 0.593 176.388 175.900 -0.175 0.000 1.006 455 Y CA 0.155 58.162 58.100 -0.154 0.000 1.166 455 Y CB 0.417 38.836 38.460 -0.068 0.000 1.168 455 Y HN 0.814 nan 8.280 nan 0.000 0.502 456 H N 2.671 121.377 119.070 -0.607 0.000 3.008 456 H HA 0.317 4.872 4.556 -0.002 0.000 0.354 456 H C -0.373 174.597 175.328 -0.596 0.000 1.252 456 H CA -0.889 54.865 56.048 -0.490 0.000 1.117 456 H CB 1.328 30.894 29.762 -0.327 0.000 1.857 456 H HN 0.671 nan 8.280 nan 0.000 0.547 457 E N 0.169 120.244 120.200 -0.207 0.000 2.409 457 E HA -0.108 4.241 4.350 -0.002 0.000 0.198 457 E C 0.860 177.409 176.600 -0.085 0.000 1.024 457 E CA 0.832 57.126 56.400 -0.176 0.000 0.861 457 E CB 0.245 29.905 29.700 -0.066 0.000 0.788 457 E HN 0.600 nan 8.360 nan 0.000 0.521 458 E N -0.311 119.953 120.200 0.107 0.000 2.170 458 E HA -0.075 4.274 4.350 -0.002 0.000 0.191 458 E C 1.831 178.421 176.600 -0.016 0.000 0.981 458 E CA 1.506 57.957 56.400 0.085 0.000 0.830 458 E CB 0.303 30.087 29.700 0.141 0.000 0.775 458 E HN 0.268 nan 8.360 nan 0.000 0.470 459 T N -3.062 111.370 114.554 -0.204 0.000 2.954 459 T HA 0.168 4.517 4.350 -0.002 0.000 0.252 459 T C 0.650 175.158 174.700 -0.321 0.000 0.983 459 T CA -0.457 61.495 62.100 -0.246 0.000 0.941 459 T CB 0.221 68.949 68.868 -0.233 0.000 1.141 459 T HN -0.040 nan 8.240 nan 0.000 0.500 460 R N 2.175 122.317 120.500 -0.596 0.000 3.322 460 R HA -0.130 4.209 4.340 -0.002 0.000 0.253 460 R C -1.102 175.105 176.300 -0.155 0.000 0.987 460 R CA 0.465 56.182 56.100 -0.638 0.000 0.666 460 R CB -1.947 28.203 30.300 -0.249 0.000 1.072 460 R HN 0.678 nan 8.270 nan 0.000 0.447 461 E N 0.561 120.661 120.200 -0.166 0.000 2.324 461 E HA 0.101 4.450 4.350 -0.002 0.000 0.271 461 E C -0.038 176.709 176.600 0.245 0.000 1.028 461 E CA 0.382 56.807 56.400 0.040 0.000 0.890 461 E CB 0.899 30.602 29.700 0.006 0.000 1.004 461 E HN 0.086 nan 8.360 nan 0.000 0.431 462 T N 1.957 116.633 114.554 0.203 0.000 2.848 462 T HA 0.277 4.626 4.350 -0.002 0.000 0.285 462 T C -0.375 174.368 174.700 0.072 0.000 0.995 462 T CA -0.707 61.529 62.100 0.227 0.000 0.970 462 T CB 1.450 70.463 68.868 0.242 0.000 0.976 462 T HN 0.107 nan 8.240 nan 0.000 0.441 463 V N 4.423 124.317 119.914 -0.033 0.000 2.498 463 V HA 0.321 4.440 4.120 -0.002 0.000 0.279 463 V C -0.079 175.972 176.094 -0.071 0.000 1.048 463 V CA -0.706 61.413 62.300 -0.302 0.000 0.967 463 V CB 0.787 31.929 31.823 -1.135 0.000 0.988 463 V HN 0.687 nan 8.190 nan 0.000 0.473 464 I N 6.435 126.963 120.570 -0.070 0.000 2.307 464 I HA 0.336 4.505 4.170 -0.002 0.000 0.289 464 I C 0.006 176.098 176.117 -0.042 0.000 1.021 464 I CA -0.371 60.932 61.300 0.006 0.000 1.224 464 I CB 1.073 39.070 38.000 -0.005 0.000 1.376 464 I HN 0.394 nan 8.210 nan 0.000 0.470 465 L N 6.363 127.594 121.223 0.013 0.000 2.281 465 L HA 0.407 4.746 4.340 -0.002 0.000 0.285 465 L C -0.064 176.669 176.870 -0.230 0.000 1.074 465 L CA 0.304 55.107 54.840 -0.061 0.000 0.817 465 L CB 0.625 42.733 42.059 0.083 0.000 1.168 465 L HN 0.561 nan 8.230 nan 0.000 0.434 466 D N 0.241 120.516 120.400 -0.207 0.000 2.738 466 D HA 0.144 4.783 4.640 -0.002 0.000 0.308 466 D C 0.582 176.813 176.300 -0.115 0.000 1.311 466 D CA -0.461 53.419 54.000 -0.201 0.000 0.799 466 D CB 1.289 41.996 40.800 -0.155 0.000 1.332 466 D HN 0.201 nan 8.370 nan 0.000 0.441 467 S N -0.370 115.317 115.700 -0.023 0.000 2.392 467 S HA -0.139 4.330 4.470 -0.002 0.000 0.232 467 S C 0.412 174.996 174.600 -0.026 0.000 1.041 467 S CA 1.255 59.453 58.200 -0.004 0.000 1.026 467 S CB -0.184 63.054 63.200 0.064 0.000 0.845 467 S HN 0.295 nan 8.310 nan 0.000 0.465 468 E N 0.687 120.865 120.200 -0.036 0.000 2.165 468 E HA 0.299 4.648 4.350 -0.002 0.000 0.266 468 E C -0.936 175.631 176.600 -0.054 0.000 0.889 468 E CA -0.488 55.889 56.400 -0.037 0.000 0.756 468 E CB 0.987 30.669 29.700 -0.031 0.000 1.131 468 E HN 0.092 nan 8.360 nan 0.000 0.411 469 I N 3.393 123.930 120.570 -0.055 0.000 2.496 469 I HA 0.127 4.296 4.170 -0.002 0.000 0.285 469 I C 0.837 176.912 176.117 -0.069 0.000 1.080 469 I CA 0.174 61.429 61.300 -0.075 0.000 1.404 469 I CB 0.258 38.210 38.000 -0.080 0.000 1.403 469 I HN 0.540 nan 8.210 nan 0.000 0.539 470 T N 4.375 118.883 114.554 -0.078 0.000 2.838 470 T HA 0.806 5.155 4.350 -0.002 0.000 0.292 470 T C -0.482 174.174 174.700 -0.074 0.000 1.113 470 T CA -0.798 61.266 62.100 -0.061 0.000 1.008 470 T CB 2.236 71.080 68.868 -0.041 0.000 1.259 470 T HN 0.304 nan 8.240 nan 0.000 0.520 471 I N 0.698 121.239 120.570 -0.048 0.000 2.498 471 I HA 0.446 4.615 4.170 -0.002 0.000 0.290 471 I C -0.535 175.581 176.117 -0.002 0.000 1.032 471 I CA -0.771 60.506 61.300 -0.039 0.000 1.073 471 I CB 2.289 40.267 38.000 -0.035 0.000 1.251 471 I HN 0.697 nan 8.210 nan 0.000 0.426 472 E N 5.170 125.384 120.200 0.024 0.000 2.187 472 E HA 0.361 4.710 4.350 -0.002 0.000 0.268 472 E C -1.186 175.449 176.600 0.058 0.000 0.896 472 E CA -0.956 55.469 56.400 0.042 0.000 0.766 472 E CB 1.768 31.502 29.700 0.058 0.000 1.142 472 E HN 0.399 nan 8.360 nan 0.000 0.408 473 N N 2.936 121.661 118.700 0.042 0.000 2.414 473 N HA 0.068 4.807 4.740 -0.002 0.000 0.256 473 N C -0.695 174.843 175.510 0.046 0.000 1.029 473 N CA -0.133 52.935 53.050 0.031 0.000 0.948 473 N CB 0.849 39.341 38.487 0.009 0.000 1.102 473 N HN 0.610 nan 8.380 nan 0.000 0.496 474 D N 0.870 121.308 120.400 0.063 0.000 2.828 474 D HA -0.110 4.529 4.640 -0.002 0.000 0.241 474 D C -2.250 174.132 176.300 0.136 0.000 1.142 474 D CA -0.133 53.925 54.000 0.096 0.000 0.755 474 D CB -0.330 40.499 40.800 0.048 0.000 1.014 474 D HN 0.370 nan 8.370 nan 0.000 0.420 475 P HA 0.048 nan 4.420 nan 0.000 0.268 475 P C -0.103 177.300 177.300 0.172 0.000 1.205 475 P CA 0.452 63.650 63.100 0.163 0.000 0.771 475 P CB 0.407 32.227 31.700 0.199 0.000 0.858 476 E N 0.326 120.558 120.200 0.053 0.000 2.360 476 E HA -0.230 4.119 4.350 -0.002 0.000 0.238 476 E C 1.158 177.785 176.600 0.044 0.000 1.186 476 E CA 0.624 57.001 56.400 -0.038 0.000 0.719 476 E CB -1.817 27.732 29.700 -0.251 0.000 1.236 476 E HN 0.651 nan 8.360 nan 0.000 0.386 477 S N -0.401 115.348 115.700 0.083 0.000 2.387 477 S HA -0.275 4.194 4.470 -0.002 0.000 0.230 477 S C 1.562 176.218 174.600 0.094 0.000 1.035 477 S CA 1.466 59.732 58.200 0.111 0.000 1.014 477 S CB -0.031 63.214 63.200 0.076 0.000 0.836 477 S HN 0.469 nan 8.310 nan 0.000 0.466 478 E N 1.328 121.552 120.200 0.041 0.000 2.077 478 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 478 E C 2.205 178.826 176.600 0.036 0.000 0.989 478 E CA 1.166 57.583 56.400 0.028 0.000 0.800 478 E CB -0.184 29.510 29.700 -0.009 0.000 0.746 478 E HN 0.649 nan 8.360 nan 0.000 0.452 479 K N 1.181 121.576 120.400 -0.008 0.000 2.057 479 K HA -0.166 4.153 4.320 -0.002 0.000 0.206 479 K C 2.291 178.996 176.600 0.174 0.000 1.050 479 K CA 0.938 57.209 56.287 -0.027 0.000 0.935 479 K CB 0.013 32.364 32.500 -0.248 0.000 0.715 479 K HN -0.084 nan 8.250 nan 0.000 0.439 480 R N 0.808 121.499 120.500 0.318 0.000 2.083 480 R HA -0.173 4.166 4.340 -0.002 0.000 0.237 480 R C 2.144 178.733 176.300 0.482 0.000 1.137 480 R CA 1.952 58.426 56.100 0.624 0.000 0.951 480 R CB -0.094 30.536 30.300 0.550 0.000 0.851 480 R HN 0.320 nan 8.270 nan 0.000 0.434 481 Q N -0.142 119.825 119.800 0.279 0.000 2.226 481 Q HA -0.149 4.190 4.340 -0.002 0.000 0.204 481 Q C 1.840 177.960 176.000 0.199 0.000 0.975 481 Q CA 1.544 57.476 55.803 0.214 0.000 0.866 481 Q CB 0.135 28.952 28.738 0.131 0.000 0.915 481 Q HN 0.368 nan 8.270 nan 0.000 0.440 482 K N 0.083 120.590 120.400 0.178 0.000 2.186 482 K HA 0.017 4.336 4.320 -0.002 0.000 0.202 482 K C 1.689 178.376 176.600 0.144 0.000 1.052 482 K CA 0.632 56.997 56.287 0.130 0.000 0.965 482 K CB 0.248 32.795 32.500 0.079 0.000 0.746 482 K HN 0.167 nan 8.250 nan 0.000 0.457 483 L N 0.038 121.378 121.223 0.195 0.000 2.558 483 L HA 0.163 4.502 4.340 -0.002 0.000 0.225 483 L C 0.079 176.835 176.870 -0.190 0.000 1.128 483 L CA 0.086 54.957 54.840 0.052 0.000 0.868 483 L CB 0.150 42.271 42.059 0.104 0.000 1.006 483 L HN -0.022 nan 8.230 nan 0.000 0.454 484 F N -0.728 119.308 119.950 0.143 0.000 2.579 484 F HA 0.469 4.995 4.527 -0.002 0.000 0.324 484 F C -2.017 173.833 175.800 0.083 0.000 1.058 484 F CA -2.731 55.334 58.000 0.108 0.000 0.944 484 F CB 0.568 39.632 39.000 0.108 0.000 1.245 484 F HN -0.349 nan 8.300 nan 0.000 0.477 485 P HA 0.039 nan 4.420 nan 0.000 0.263 485 P C -0.564 176.819 177.300 0.138 0.000 1.175 485 P CA -0.035 63.157 63.100 0.154 0.000 0.761 485 P CB 0.440 32.220 31.700 0.133 0.000 0.794 486 S N 0.000 115.759 115.700 0.099 0.000 2.498 486 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 486 S CA 0.000 58.248 58.200 0.080 0.000 1.107 486 S CB 0.000 63.238 63.200 0.064 0.000 0.593 486 S HN 0.000 nan 8.310 nan 0.000 0.517