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 1ffx_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRECISIHVG QAGVQIGNAC WELYCLEHGI QPDGQMPSDK TIGGGDDXXX DATA SEQUENCE XXXXXXXXXX XXXXAVFVDL EPTVIDEVRT GTYRQLFHPE QLITGKEDAA DATA SEQUENCE NNYARGHYTI GKEIIDLVLD RIRKLADQCT GLQGFSVFHS FGGGTGSGFT DATA SEQUENCE SLLMERLSVD YGKKSKLEFS IYPAPQVSTA VVEPYNSILT THTTLEHSDC DATA SEQUENCE AFMVDNEAIY DICRRNLDIE RPTYTNLNRL IGQIVSSITA SLRFDGALNV DATA SEQUENCE DLTEFQTNLV PYPRAHFPLA TYAPVISAEK AYHEQLSVAE ITNACFEPAN DATA SEQUENCE QMVKCDPRHG KYMACCLLYR GDVVPKDVNA AIATIKTKRT IQFVDWCPTG DATA SEQUENCE FKVGINYEPP TVVPGGDLAK VQRAVCMLSN TTAIAEAWAR LDHKFDLMYA DATA SEQUENCE KRAFVHWYVG EGMEEGEFSE AREDMAALEK DYEEVGVDSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 R N 3.400 123.902 120.500 0.003 0.000 2.413 2 R HA 0.255 4.595 4.340 -0.000 0.000 0.333 2 R C -0.134 176.160 176.300 -0.009 0.000 1.074 2 R CA 0.113 56.208 56.100 -0.008 0.000 0.982 2 R CB -0.634 29.660 30.300 -0.011 0.000 0.981 2 R HN 0.346 nan 8.270 nan 0.000 0.452 3 E N 3.578 123.769 120.200 -0.015 0.000 2.249 3 E HA 0.266 4.615 4.350 -0.000 0.000 0.280 3 E C -0.365 176.202 176.600 -0.056 0.000 1.016 3 E CA -1.180 55.214 56.400 -0.010 0.000 0.830 3 E CB 1.090 30.798 29.700 0.015 0.000 1.081 3 E HN 0.750 nan 8.360 nan 0.000 0.395 4 C N 3.866 123.143 119.300 -0.038 0.000 2.401 4 C HA 0.620 5.080 4.460 -0.000 0.000 0.365 4 C C 0.432 175.384 174.990 -0.063 0.000 1.250 4 C CA -1.069 57.891 59.018 -0.097 0.000 2.131 4 C CB -0.354 27.372 27.740 -0.023 0.000 2.445 4 C HN 0.670 nan 8.230 nan 0.000 0.550 5 I N 3.748 124.188 120.570 -0.216 0.000 2.499 5 I HA 0.437 4.607 4.170 -0.000 0.000 0.296 5 I C 0.658 176.922 176.117 0.246 0.000 0.992 5 I CA 0.437 61.719 61.300 -0.029 0.000 1.297 5 I CB 1.665 39.564 38.000 -0.168 0.000 1.410 5 I HN 1.023 nan 8.210 nan 0.000 0.507 6 S N 6.317 122.251 115.700 0.391 0.000 2.500 6 S HA 0.833 5.303 4.470 -0.000 0.000 0.301 6 S C -0.545 174.340 174.600 0.474 0.000 1.092 6 S CA -0.792 57.729 58.200 0.536 0.000 1.030 6 S CB 2.186 65.862 63.200 0.794 0.000 1.031 6 S HN 0.515 nan 8.310 nan 0.000 0.483 7 I N -0.108 120.732 120.570 0.451 0.000 2.503 7 I HA 0.475 4.645 4.170 -0.000 0.000 0.282 7 I C -1.547 174.777 176.117 0.344 0.000 1.059 7 I CA -0.850 60.592 61.300 0.238 0.000 1.081 7 I CB 1.270 39.328 38.000 0.097 0.000 1.210 7 I HN 0.618 nan 8.210 nan 0.000 0.450 8 H N 6.233 125.251 119.070 -0.087 0.000 2.741 8 H HA 0.437 4.993 4.556 -0.000 0.000 0.282 8 H C 0.103 175.376 175.328 -0.092 0.000 1.122 8 H CA -1.107 54.879 56.048 -0.104 0.000 1.293 8 H CB 1.138 30.682 29.762 -0.364 0.000 1.415 8 H HN 0.598 nan 8.280 nan 0.000 0.472 9 V N 0.402 120.393 119.914 0.129 0.000 2.407 9 V HA 0.847 4.967 4.120 -0.000 0.000 0.278 9 V C 0.683 176.890 176.094 0.188 0.000 1.037 9 V CA -0.085 62.306 62.300 0.152 0.000 0.900 9 V CB 0.813 32.713 31.823 0.128 0.000 0.983 9 V HN 1.065 nan 8.190 nan 0.000 0.459 10 G N 3.234 112.135 108.800 0.168 0.000 3.439 10 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 10 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 10 G C 0.127 175.094 174.900 0.111 0.000 1.075 10 G CA 0.354 45.541 45.100 0.146 0.000 0.926 10 G HN 1.497 nan 8.290 nan 0.000 0.485 11 Q N 1.428 121.288 119.800 0.100 0.000 2.204 11 Q HA -0.408 3.932 4.340 -0.000 0.000 0.220 11 Q C 2.806 178.843 176.000 0.061 0.000 1.064 11 Q CA 4.010 59.868 55.803 0.093 0.000 0.946 11 Q CB -0.417 28.376 28.738 0.092 0.000 1.083 11 Q HN 1.948 nan 8.270 nan 0.000 0.443 12 A N -0.363 122.474 122.820 0.029 0.000 1.940 12 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 12 A C 2.149 179.742 177.584 0.015 0.000 1.176 12 A CA 2.013 54.037 52.037 -0.021 0.000 0.631 12 A CB -1.077 17.911 19.000 -0.019 0.000 0.814 12 A HN 0.699 nan 8.150 nan 0.000 0.446 13 G N -0.942 107.898 108.800 0.065 0.000 2.417 13 G HA2 0.040 4.000 3.960 -0.000 0.000 0.212 13 G HA3 0.040 4.000 3.960 -0.000 0.000 0.212 13 G C 1.496 176.402 174.900 0.010 0.000 1.187 13 G CA 0.933 46.078 45.100 0.076 0.000 0.804 13 G HN 0.268 nan 8.290 nan 0.000 0.534 14 V N 0.988 120.933 119.914 0.051 0.000 2.252 14 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 14 V C 2.950 179.127 176.094 0.138 0.000 1.056 14 V CA 2.410 64.757 62.300 0.078 0.000 1.022 14 V CB -0.792 31.132 31.823 0.168 0.000 0.641 14 V HN 0.416 nan 8.190 nan 0.000 0.445 15 Q N -0.749 119.117 119.800 0.109 0.000 2.045 15 Q HA -0.214 4.125 4.340 -0.000 0.000 0.206 15 Q C 2.290 178.301 176.000 0.018 0.000 0.991 15 Q CA 2.154 58.018 55.803 0.102 0.000 0.851 15 Q CB -0.304 28.491 28.738 0.095 0.000 0.911 15 Q HN 0.575 nan 8.270 nan 0.000 0.418 16 I N 0.400 120.932 120.570 -0.065 0.000 2.032 16 I HA -0.302 3.868 4.170 -0.000 0.000 0.228 16 I C 2.412 178.353 176.117 -0.294 0.000 1.030 16 I CA 1.555 62.744 61.300 -0.185 0.000 1.318 16 I CB -1.055 36.824 38.000 -0.203 0.000 1.049 16 I HN 0.375 nan 8.210 nan 0.000 0.387 17 G N 0.483 108.970 108.800 -0.521 0.000 2.663 17 G HA2 -0.456 3.503 3.960 -0.000 0.000 0.222 17 G HA3 -0.456 3.503 3.960 -0.000 0.000 0.222 17 G C 1.320 176.338 174.900 0.197 0.000 1.146 17 G CA 1.810 46.621 45.100 -0.481 0.000 0.764 17 G HN 0.479 nan 8.290 nan 0.000 0.608 18 N N 1.204 120.078 118.700 0.291 0.000 2.192 18 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 18 N C 1.937 177.505 175.510 0.097 0.000 1.013 18 N CA 1.686 54.924 53.050 0.314 0.000 0.863 18 N CB -0.375 38.268 38.487 0.260 0.000 0.990 18 N HN 0.331 nan 8.380 nan 0.000 0.430 19 A N -1.864 120.944 122.820 -0.019 0.000 2.379 19 A HA 0.226 4.546 4.320 -0.000 0.000 0.236 19 A C 1.879 179.343 177.584 -0.200 0.000 1.272 19 A CA -0.175 51.797 52.037 -0.110 0.000 0.886 19 A CB -0.486 18.442 19.000 -0.120 0.000 0.962 19 A HN 0.491 nan 8.150 nan 0.000 0.504 20 C N -2.824 116.330 119.300 -0.245 0.000 2.487 20 C HA 0.068 4.528 4.460 -0.000 0.000 0.311 20 C C 1.756 176.338 174.990 -0.680 0.000 1.367 20 C CA 0.056 58.705 59.018 -0.614 0.000 1.865 20 C CB -1.247 25.944 27.740 -0.916 0.000 2.277 20 C HN 0.886 nan 8.230 nan 0.000 0.521 21 W N 1.647 122.791 121.300 -0.261 0.000 2.848 21 W HA 0.039 4.699 4.660 -0.000 0.000 0.241 21 W C 2.243 178.729 176.519 -0.055 0.000 1.289 21 W CA 0.525 57.867 57.345 -0.005 0.000 1.396 21 W CB -0.621 28.931 29.460 0.153 0.000 1.138 21 W HN 0.461 nan 8.180 nan 0.000 0.677 22 E N -0.046 120.155 120.200 0.001 0.000 2.190 22 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 22 E C 1.955 178.508 176.600 -0.079 0.000 0.978 22 E CA 0.456 56.827 56.400 -0.049 0.000 0.839 22 E CB 0.022 29.660 29.700 -0.103 0.000 0.787 22 E HN 0.131 nan 8.360 nan 0.000 0.473 23 L N 0.624 121.748 121.223 -0.165 0.000 2.209 23 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 23 L C 0.752 177.599 176.870 -0.037 0.000 1.094 23 L CA 1.115 55.864 54.840 -0.152 0.000 0.790 23 L CB -0.720 41.183 42.059 -0.260 0.000 0.932 23 L HN 0.166 nan 8.230 nan 0.000 0.447 24 Y N -0.101 120.103 120.300 -0.159 0.000 2.922 24 Y HA -0.047 4.503 4.550 -0.000 0.000 0.379 24 Y C 1.984 177.838 175.900 -0.075 0.000 1.057 24 Y CA -0.347 57.647 58.100 -0.176 0.000 1.687 24 Y CB -1.373 36.907 38.460 -0.300 0.000 1.707 24 Y HN 0.346 nan 8.280 nan 0.000 0.462 25 C N -1.088 118.259 119.300 0.078 0.000 2.754 25 C HA 0.400 4.860 4.460 -0.000 0.000 0.276 25 C C 0.514 175.518 174.990 0.024 0.000 1.264 25 C CA -0.652 58.392 59.018 0.042 0.000 1.700 25 C CB -1.784 25.961 27.740 0.009 0.000 1.885 25 C HN 0.247 nan 8.230 nan 0.000 0.607 26 L N 3.101 124.339 121.223 0.024 0.000 2.536 26 L HA 0.401 4.741 4.340 -0.000 0.000 0.282 26 L C 0.462 177.347 176.870 0.025 0.000 1.147 26 L CA 1.185 56.031 54.840 0.011 0.000 0.936 26 L CB -1.211 40.834 42.059 -0.024 0.000 1.279 26 L HN 0.453 nan 8.230 nan 0.000 0.461 27 E N 1.476 121.696 120.200 0.033 0.000 8.281 27 E HA -0.283 4.067 4.350 -0.000 0.000 0.174 27 E C -0.384 176.242 176.600 0.043 0.000 1.453 27 E CA 0.525 56.952 56.400 0.045 0.000 2.520 27 E CB -0.289 29.518 29.700 0.179 0.000 1.431 27 E HN 0.654 nan 8.360 nan 0.000 0.461 28 H N -0.074 119.025 119.070 0.050 0.000 3.241 28 H HA 0.307 4.863 4.556 -0.000 0.000 0.236 28 H C 1.028 176.389 175.328 0.055 0.000 0.801 28 H CA 1.963 58.041 56.048 0.049 0.000 1.394 28 H CB -0.350 29.441 29.762 0.049 0.000 1.482 28 H HN 0.700 nan 8.280 nan 0.000 0.500 29 G N 2.523 111.403 108.800 0.133 0.000 4.154 29 G HA2 0.100 4.060 3.960 -0.000 0.000 0.228 29 G HA3 0.100 4.060 3.960 -0.000 0.000 0.228 29 G C -0.039 174.924 174.900 0.106 0.000 2.157 29 G CA 0.284 45.461 45.100 0.129 0.000 1.088 29 G HN 0.567 nan 8.290 nan 0.000 0.506 30 I N -1.980 118.631 120.570 0.069 0.000 3.481 30 I HA 0.501 4.671 4.170 -0.000 0.000 0.267 30 I C 0.378 176.512 176.117 0.028 0.000 1.044 30 I CA 0.307 61.632 61.300 0.041 0.000 1.902 30 I CB -0.114 37.892 38.000 0.010 0.000 1.680 30 I HN 0.007 nan 8.210 nan 0.000 0.426 31 Q N 2.725 122.533 119.800 0.015 0.000 2.523 31 Q HA 0.083 4.423 4.340 -0.000 0.000 0.283 31 Q C -2.011 174.004 176.000 0.025 0.000 1.140 31 Q CA -1.065 54.745 55.803 0.013 0.000 0.981 31 Q CB -0.886 27.856 28.738 0.008 0.000 1.310 31 Q HN 0.234 nan 8.270 nan 0.000 0.483 32 P HA -0.214 nan 4.420 nan 0.000 0.020 32 P C -0.180 177.135 177.300 0.025 0.000 0.609 32 P CA 1.312 64.422 63.100 0.016 0.000 1.026 32 P CB -0.505 31.204 31.700 0.016 0.000 1.886 33 D N -2.210 118.208 120.400 0.030 0.000 2.417 33 D HA 0.027 4.667 4.640 -0.000 0.000 0.207 33 D C 0.996 177.313 176.300 0.028 0.000 1.075 33 D CA 0.106 54.131 54.000 0.042 0.000 0.851 33 D CB -0.403 40.436 40.800 0.065 0.000 0.976 33 D HN 0.160 nan 8.370 nan 0.000 0.505 34 G N 1.569 110.374 108.800 0.008 0.000 2.138 34 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.263 34 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.263 34 G C 0.405 175.281 174.900 -0.039 0.000 1.103 34 G CA 0.142 45.228 45.100 -0.022 0.000 1.014 34 G HN 0.116 nan 8.290 nan 0.000 0.418 35 Q N -0.605 119.161 119.800 -0.057 0.000 2.406 35 Q HA -0.253 4.086 4.340 -0.000 0.000 0.236 35 Q C 0.627 176.633 176.000 0.009 0.000 0.799 35 Q CA 1.646 57.418 55.803 -0.051 0.000 1.286 35 Q CB -1.695 26.982 28.738 -0.101 0.000 1.615 35 Q HN 0.733 nan 8.270 nan 0.000 0.621 36 M N 1.908 121.522 119.600 0.023 0.000 2.628 36 M HA 0.252 4.732 4.480 -0.000 0.000 0.327 36 M C -1.640 174.690 176.300 0.051 0.000 1.223 36 M CA -2.000 53.320 55.300 0.034 0.000 1.221 36 M CB 1.006 33.624 32.600 0.031 0.000 1.202 36 M HN -0.213 nan 8.290 nan 0.000 0.473 37 P HA 0.012 nan 4.420 nan 0.000 0.222 37 P C 0.057 177.389 177.300 0.053 0.000 1.153 37 P CA 0.497 63.635 63.100 0.064 0.000 0.798 37 P CB 0.096 31.834 31.700 0.064 0.000 0.796 38 S N 0.189 115.915 115.700 0.044 0.000 2.622 38 S HA -0.011 4.459 4.470 -0.000 0.000 0.251 38 S C 0.535 175.157 174.600 0.037 0.000 1.402 38 S CA 0.854 59.076 58.200 0.036 0.000 0.972 38 S CB -0.654 62.564 63.200 0.030 0.000 0.913 38 S HN 0.442 nan 8.310 nan 0.000 0.573 39 D N -0.554 119.863 120.400 0.028 0.000 4.036 39 D HA -0.162 4.478 4.640 -0.000 0.000 0.184 39 D C -0.573 175.738 176.300 0.019 0.000 1.167 39 D CA 0.613 54.627 54.000 0.023 0.000 1.062 39 D CB -0.545 40.274 40.800 0.031 0.000 0.622 39 D HN 0.392 nan 8.370 nan 0.000 0.716 40 K N -0.258 120.151 120.400 0.014 0.000 2.380 40 K HA 0.207 4.527 4.320 -0.000 0.000 0.267 40 K C 0.042 176.658 176.600 0.028 0.000 0.990 40 K CA 1.011 57.305 56.287 0.010 0.000 0.946 40 K CB 0.150 32.648 32.500 -0.004 0.000 0.937 40 K HN 0.498 nan 8.250 nan 0.000 0.491 41 T N 0.721 115.290 114.554 0.025 0.000 3.273 41 T HA 0.479 4.829 4.350 -0.000 0.000 0.242 41 T C 0.103 174.827 174.700 0.041 0.000 1.228 41 T CA -0.682 61.438 62.100 0.032 0.000 1.173 41 T CB -0.597 68.284 68.868 0.022 0.000 1.134 41 T HN 0.322 nan 8.240 nan 0.000 0.635 42 I N -0.418 120.184 120.570 0.054 0.000 2.714 42 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 42 I C 0.388 176.541 176.117 0.059 0.000 1.663 42 I CA 0.339 61.673 61.300 0.057 0.000 1.011 42 I CB 1.466 39.501 38.000 0.059 0.000 1.462 42 I HN 0.434 nan 8.210 nan 0.000 0.476 43 G N 3.832 112.653 108.800 0.036 0.000 2.229 43 G HA2 0.484 4.444 3.960 -0.000 0.000 0.189 43 G HA3 0.484 4.444 3.960 -0.000 0.000 0.189 43 G C 0.676 175.655 174.900 0.130 0.000 1.000 43 G CA 0.221 45.317 45.100 -0.006 0.000 0.663 43 G HN 2.252 nan 8.290 nan 0.000 0.493 44 G N -1.151 107.743 108.800 0.157 0.000 3.393 44 G HA2 0.470 4.429 3.960 -0.000 0.000 0.676 44 G HA3 0.470 4.429 3.960 -0.000 0.000 0.676 44 G C 0.878 175.874 174.900 0.160 0.000 1.224 44 G CA 0.791 46.026 45.100 0.227 0.000 1.109 44 G HN 1.700 nan 8.290 nan 0.000 0.519 45 G N 0.702 109.570 108.800 0.114 0.000 2.843 45 G HA2 0.337 4.297 3.960 -0.000 0.000 0.205 45 G HA3 0.337 4.297 3.960 -0.000 0.000 0.205 45 G C 0.496 175.454 174.900 0.097 0.000 1.160 45 G CA 1.227 46.381 45.100 0.089 0.000 0.819 45 G HN 1.393 nan 8.290 nan 0.000 0.516 46 D N -1.010 119.465 120.400 0.125 0.000 4.301 46 D HA 0.039 4.678 4.640 -0.000 0.000 0.244 46 D C -0.297 176.103 176.300 0.166 0.000 1.450 46 D CA -0.869 53.210 54.000 0.131 0.000 0.805 46 D CB -1.178 39.693 40.800 0.119 0.000 1.354 46 D HN 0.057 nan 8.370 nan 0.000 0.861 66 V N 2.116 121.984 119.914 -0.077 0.000 2.488 66 V HA 0.537 4.657 4.120 -0.000 0.000 0.293 66 V C -1.251 174.825 176.094 -0.030 0.000 1.027 66 V CA -0.339 61.931 62.300 -0.050 0.000 0.862 66 V CB 1.353 33.180 31.823 0.008 0.000 1.008 66 V HN 0.657 nan 8.190 nan 0.000 0.428 67 F N 4.124 123.886 119.950 -0.313 0.000 2.308 67 F HA 0.565 5.092 4.527 -0.000 0.000 0.370 67 F C 0.073 175.834 175.800 -0.063 0.000 1.100 67 F CA -0.766 57.106 58.000 -0.215 0.000 1.108 67 F CB 1.838 40.723 39.000 -0.192 0.000 1.293 67 F HN 0.299 nan 8.300 nan 0.000 0.478 68 V N 4.940 124.912 119.914 0.098 0.000 2.349 68 V HA 0.498 4.617 4.120 -0.000 0.000 0.284 68 V C -1.063 175.130 176.094 0.164 0.000 1.014 68 V CA -0.170 62.218 62.300 0.145 0.000 0.826 68 V CB 1.067 33.025 31.823 0.225 0.000 1.009 68 V HN 0.648 nan 8.190 nan 0.000 0.431 69 D N 4.015 124.490 120.400 0.125 0.000 2.392 69 D HA 0.431 5.071 4.640 -0.000 0.000 0.246 69 D C 0.438 176.764 176.300 0.042 0.000 1.013 69 D CA -0.505 53.561 54.000 0.110 0.000 0.993 69 D CB 2.325 43.192 40.800 0.112 0.000 1.219 69 D HN 0.451 nan 8.370 nan 0.000 0.538 70 L N 0.294 121.533 121.223 0.026 0.000 2.693 70 L HA 0.236 4.575 4.340 -0.000 0.000 0.235 70 L C -0.029 176.834 176.870 -0.010 0.000 1.127 70 L CA 0.168 54.986 54.840 -0.037 0.000 0.914 70 L CB 0.208 42.235 42.059 -0.054 0.000 1.193 70 L HN 0.365 nan 8.230 nan 0.000 0.502 71 E N 2.038 122.251 120.200 0.022 0.000 2.376 71 E HA 0.188 4.538 4.350 -0.000 0.000 0.236 71 E C -2.311 174.309 176.600 0.032 0.000 0.962 71 E CA -2.111 54.305 56.400 0.026 0.000 0.768 71 E CB 0.513 30.236 29.700 0.040 0.000 1.236 71 E HN -0.043 nan 8.360 nan 0.000 0.431 72 P HA -0.161 nan 4.420 nan 0.000 0.238 72 P C 0.132 177.448 177.300 0.025 0.000 1.434 72 P CA 0.942 64.057 63.100 0.024 0.000 1.292 72 P CB 0.485 32.191 31.700 0.011 0.000 1.804 73 T N -0.140 114.436 114.554 0.037 0.000 3.939 73 T HA -0.119 4.231 4.350 -0.000 0.000 0.285 73 T C 1.143 175.866 174.700 0.039 0.000 0.828 73 T CA 0.649 62.765 62.100 0.027 0.000 1.205 73 T CB -0.894 67.985 68.868 0.017 0.000 0.943 73 T HN -0.082 nan 8.240 nan 0.000 0.427 74 V N 2.248 122.197 119.914 0.060 0.000 2.469 74 V HA 0.223 4.343 4.120 -0.000 0.000 0.251 74 V C 1.976 178.144 176.094 0.123 0.000 1.064 74 V CA 2.220 64.571 62.300 0.086 0.000 1.066 74 V CB -0.446 31.440 31.823 0.106 0.000 0.667 74 V HN 0.667 nan 8.190 nan 0.000 0.461 75 I N -1.018 119.628 120.570 0.126 0.000 3.855 75 I HA 0.174 4.344 4.170 -0.000 0.000 0.327 75 I C 1.156 177.350 176.117 0.129 0.000 1.359 75 I CA 0.598 62.003 61.300 0.175 0.000 1.142 75 I CB -0.148 37.961 38.000 0.181 0.000 1.041 75 I HN 0.277 nan 8.210 nan 0.000 0.403 76 D N 0.479 120.929 120.400 0.082 0.000 2.441 76 D HA 0.032 4.672 4.640 -0.000 0.000 0.210 76 D C 0.809 177.126 176.300 0.028 0.000 1.102 76 D CA 0.213 54.241 54.000 0.048 0.000 0.840 76 D CB 0.431 41.243 40.800 0.022 0.000 0.990 76 D HN 0.176 nan 8.370 nan 0.000 0.505 77 E N 0.618 120.839 120.200 0.036 0.000 2.452 77 E HA 0.102 4.452 4.350 -0.000 0.000 0.293 77 E C 0.133 176.838 176.600 0.175 0.000 1.535 77 E CA 0.008 56.409 56.400 0.002 0.000 1.816 77 E CB 0.688 30.286 29.700 -0.169 0.000 1.494 77 E HN 0.170 nan 8.360 nan 0.000 0.464 78 V N -0.469 119.501 119.914 0.093 0.000 3.930 78 V HA -0.005 4.115 4.120 -0.000 0.000 0.172 78 V C 1.533 177.643 176.094 0.027 0.000 1.399 78 V CA 0.104 62.429 62.300 0.040 0.000 1.191 78 V CB 0.322 32.165 31.823 0.034 0.000 1.204 78 V HN 0.130 nan 8.190 nan 0.000 0.584 79 R N 1.181 121.706 120.500 0.043 0.000 2.040 79 R HA 0.204 4.544 4.340 -0.000 0.000 0.209 79 R C 0.879 177.191 176.300 0.019 0.000 1.281 79 R CA 1.618 57.738 56.100 0.034 0.000 1.064 79 R CB -0.600 29.726 30.300 0.043 0.000 0.950 79 R HN 0.333 nan 8.270 nan 0.000 0.462 80 T N 0.985 115.549 114.554 0.016 0.000 2.987 80 T HA 0.433 4.782 4.350 -0.000 0.000 0.288 80 T C 0.419 175.116 174.700 -0.005 0.000 0.981 80 T CA 0.579 62.682 62.100 0.005 0.000 1.031 80 T CB 0.393 69.264 68.868 0.005 0.000 0.976 80 T HN 0.630 nan 8.240 nan 0.000 0.612 81 G N 2.925 111.721 108.800 -0.007 0.000 2.339 81 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.209 81 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.209 81 G C 0.532 175.430 174.900 -0.004 0.000 1.015 81 G CA 0.264 45.353 45.100 -0.019 0.000 0.635 81 G HN 1.029 nan 8.290 nan 0.000 0.499 82 T N -1.758 112.803 114.554 0.011 0.000 2.274 82 T HA -0.190 4.159 4.350 -0.000 0.000 0.767 82 T C -0.208 174.563 174.700 0.118 0.000 1.005 82 T CA 1.688 63.812 62.100 0.041 0.000 4.044 82 T CB -0.756 68.128 68.868 0.026 0.000 2.315 82 T HN 2.045 nan 8.240 nan 0.000 0.394 83 Y N 1.913 122.178 120.300 -0.059 0.000 2.513 83 Y HA 0.257 4.807 4.550 -0.000 0.000 0.287 83 Y C 0.755 176.611 175.900 -0.074 0.000 1.045 83 Y CA -0.125 57.942 58.100 -0.055 0.000 1.586 83 Y CB -1.068 37.363 38.460 -0.048 0.000 1.179 83 Y HN 0.795 nan 8.280 nan 0.000 0.458 84 R N 0.689 121.239 120.500 0.084 0.000 3.977 84 R HA -0.260 4.080 4.340 -0.000 0.000 0.428 84 R C -0.183 176.069 176.300 -0.080 0.000 1.079 84 R CA 1.893 57.973 56.100 -0.033 0.000 1.269 84 R CB -1.160 29.067 30.300 -0.121 0.000 1.856 84 R HN 0.714 nan 8.270 nan 0.000 0.551 85 Q N -0.929 118.816 119.800 -0.091 0.000 2.943 85 Q HA 0.663 5.003 4.340 -0.000 0.000 0.305 85 Q C -1.525 174.357 176.000 -0.196 0.000 0.873 85 Q CA -1.224 54.492 55.803 -0.146 0.000 0.773 85 Q CB 1.505 30.124 28.738 -0.198 0.000 1.501 85 Q HN 0.059 nan 8.270 nan 0.000 0.442 86 L N 1.711 122.798 121.223 -0.227 0.000 2.751 86 L HA 0.355 4.695 4.340 -0.000 0.000 0.261 86 L C -0.734 176.078 176.870 -0.098 0.000 0.927 86 L CA -0.594 54.124 54.840 -0.203 0.000 0.968 86 L CB 1.489 43.520 42.059 -0.047 0.000 1.432 86 L HN 0.909 nan 8.230 nan 0.000 0.439 87 F N 1.872 121.726 119.950 -0.160 0.000 2.049 87 F HA 0.166 4.693 4.527 -0.000 0.000 0.288 87 F C 0.907 176.664 175.800 -0.072 0.000 1.141 87 F CA 0.044 57.966 58.000 -0.130 0.000 1.165 87 F CB -0.096 38.772 39.000 -0.220 0.000 1.012 87 F HN 0.456 nan 8.300 nan 0.000 0.475 88 H N 1.639 120.822 119.070 0.188 0.000 2.750 88 H HA 0.235 4.791 4.556 -0.000 0.000 0.261 88 H C -2.775 172.517 175.328 -0.061 0.000 1.387 88 H CA -2.910 53.135 56.048 -0.005 0.000 1.557 88 H CB 0.641 30.355 29.762 -0.080 0.000 1.756 88 H HN -0.116 nan 8.280 nan 0.000 0.580 89 P HA -0.066 nan 4.420 nan 0.000 0.227 89 P C 0.711 178.091 177.300 0.132 0.000 1.036 89 P CA 1.020 64.194 63.100 0.123 0.000 1.080 89 P CB 0.457 32.204 31.700 0.078 0.000 1.046 90 E N 2.596 122.804 120.200 0.013 0.000 1.187 90 E HA -0.085 4.264 4.350 -0.000 0.000 0.210 90 E C 1.033 177.557 176.600 -0.127 0.000 1.048 90 E CA 0.255 56.624 56.400 -0.052 0.000 0.985 90 E CB -0.824 28.822 29.700 -0.090 0.000 4.809 90 E HN 0.570 nan 8.360 nan 0.000 0.633 91 Q N 1.408 121.080 119.800 -0.214 0.000 2.322 91 Q HA 0.116 4.456 4.340 -0.000 0.000 0.203 91 Q C -0.035 175.831 176.000 -0.224 0.000 0.923 91 Q CA 0.257 55.904 55.803 -0.260 0.000 0.949 91 Q CB 0.014 28.511 28.738 -0.402 0.000 1.039 91 Q HN 0.091 nan 8.270 nan 0.000 0.496 92 L N 1.843 122.976 121.223 -0.150 0.000 2.506 92 L HA 0.425 4.765 4.340 -0.000 0.000 0.247 92 L C -0.390 176.489 176.870 0.015 0.000 1.141 92 L CA -0.453 54.363 54.840 -0.039 0.000 0.973 92 L CB 0.680 42.716 42.059 -0.039 0.000 1.319 92 L HN 0.069 nan 8.230 nan 0.000 0.455 93 I N 0.748 121.333 120.570 0.024 0.000 2.948 93 I HA 0.222 4.391 4.170 -0.000 0.000 0.290 93 I C 0.942 177.079 176.117 0.033 0.000 1.226 93 I CA 0.932 62.247 61.300 0.024 0.000 1.413 93 I CB 0.640 38.663 38.000 0.037 0.000 1.352 93 I HN 0.587 nan 8.210 nan 0.000 0.597 94 T N 2.932 117.491 114.554 0.009 0.000 2.886 94 T HA 0.609 4.959 4.350 -0.000 0.000 0.330 94 T C -0.265 174.423 174.700 -0.021 0.000 1.488 94 T CA -0.162 61.940 62.100 0.004 0.000 1.054 94 T CB 1.211 70.092 68.868 0.022 0.000 1.348 94 T HN 0.791 nan 8.240 nan 0.000 0.489 95 G N 1.479 110.260 108.800 -0.032 0.000 3.194 95 G HA2 0.569 4.529 3.960 -0.000 0.000 0.160 95 G HA3 0.569 4.529 3.960 -0.000 0.000 0.160 95 G C 0.189 175.075 174.900 -0.023 0.000 1.267 95 G CA 0.194 45.269 45.100 -0.042 0.000 0.962 95 G HN 0.810 nan 8.290 nan 0.000 0.612 96 K N -1.009 119.376 120.400 -0.025 0.000 2.770 96 K HA 0.077 4.396 4.320 -0.000 0.000 0.195 96 K C 0.045 176.638 176.600 -0.010 0.000 1.515 96 K CA 0.010 56.289 56.287 -0.013 0.000 1.199 96 K CB 0.359 32.852 32.500 -0.011 0.000 1.681 96 K HN 0.346 nan 8.250 nan 0.000 0.586 97 E N 2.897 123.087 120.200 -0.017 0.000 2.251 97 E HA -0.154 4.196 4.350 -0.000 0.000 0.254 97 E C -0.522 176.076 176.600 -0.004 0.000 1.191 97 E CA 0.905 57.299 56.400 -0.011 0.000 1.026 97 E CB -0.574 29.114 29.700 -0.020 0.000 1.095 97 E HN 0.292 nan 8.360 nan 0.000 0.446 98 D N 1.203 121.604 120.400 0.002 0.000 6.561 98 D HA -0.308 4.332 4.640 -0.000 0.000 0.194 98 D C 0.852 177.159 176.300 0.012 0.000 1.820 98 D CA 2.976 56.981 54.000 0.008 0.000 0.851 98 D CB -0.008 40.798 40.800 0.010 0.000 0.789 98 D HN 0.698 nan 8.370 nan 0.000 0.761 99 A N -2.929 119.897 122.820 0.010 0.000 4.246 99 A HA 0.772 5.091 4.320 -0.000 0.000 0.085 99 A C -0.226 177.369 177.584 0.018 0.000 1.338 99 A CA 0.579 52.626 52.037 0.015 0.000 2.088 99 A CB -0.339 18.672 19.000 0.019 0.000 2.420 99 A HN 0.793 nan 8.150 nan 0.000 1.073 100 A N -1.509 121.327 122.820 0.026 0.000 3.331 100 A HA 0.517 4.837 4.320 -0.000 0.000 0.104 100 A C 0.332 177.946 177.584 0.051 0.000 1.356 100 A CA 1.405 53.470 52.037 0.047 0.000 1.622 100 A CB -0.907 18.128 19.000 0.059 0.000 1.478 100 A HN 2.396 nan 8.150 nan 0.000 0.652 101 N N -0.140 118.601 118.700 0.068 0.000 2.929 101 N HA -0.138 4.602 4.740 -0.000 0.000 0.246 101 N C -0.649 175.039 175.510 0.297 0.000 1.111 101 N CA 0.961 54.067 53.050 0.093 0.000 0.679 101 N CB -1.516 37.004 38.487 0.056 0.000 1.008 101 N HN 0.608 nan 8.380 nan 0.000 0.559 102 N N 0.182 119.127 118.700 0.409 0.000 2.577 102 N HA 0.043 4.783 4.740 -0.000 0.000 0.285 102 N C -0.005 176.040 175.510 0.893 0.000 1.658 102 N CA 0.031 53.412 53.050 0.550 0.000 0.865 102 N CB 0.309 38.941 38.487 0.242 0.000 1.419 102 N HN 0.378 nan 8.380 nan 0.000 0.495 103 Y N 1.381 122.183 120.300 0.836 0.000 2.576 103 Y HA -0.537 4.013 4.550 -0.000 0.000 0.490 103 Y C 2.097 178.302 175.900 0.508 0.000 0.843 103 Y CA 2.688 61.118 58.100 0.549 0.000 3.428 103 Y CB -1.008 37.789 38.460 0.561 0.000 0.777 103 Y HN 0.264 nan 8.280 nan 0.000 0.568 104 A N 0.581 123.699 122.820 0.497 0.000 1.903 104 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 104 A C 1.689 179.507 177.584 0.390 0.000 1.191 104 A CA 1.771 54.146 52.037 0.563 0.000 0.638 104 A CB -0.690 18.660 19.000 0.583 0.000 0.823 104 A HN 0.463 nan 8.150 nan 0.000 0.451 105 R N 0.355 121.064 120.500 0.348 0.000 2.853 105 R HA 0.236 4.575 4.340 -0.000 0.000 0.238 105 R C 0.777 177.182 176.300 0.175 0.000 1.538 105 R CA 0.856 57.095 56.100 0.231 0.000 1.166 105 R CB -1.186 29.245 30.300 0.218 0.000 1.201 105 R HN 0.830 nan 8.270 nan 0.000 0.606 106 G N 0.994 109.874 108.800 0.133 0.000 2.551 106 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.186 106 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.186 106 G C 0.576 175.534 174.900 0.097 0.000 1.002 106 G CA 0.147 45.299 45.100 0.087 0.000 0.723 106 G HN 0.649 nan 8.290 nan 0.000 0.481 107 H N -1.301 117.717 119.070 -0.087 0.000 2.615 107 H HA 0.526 5.082 4.556 -0.000 0.000 0.275 107 H C 1.629 176.810 175.328 -0.246 0.000 0.981 107 H CA 1.180 57.057 56.048 -0.285 0.000 1.252 107 H CB 0.427 29.606 29.762 -0.972 0.000 1.447 107 H HN 0.431 nan 8.280 nan 0.000 0.498 108 Y N -0.274 120.002 120.300 -0.040 0.000 2.756 108 Y HA 0.085 4.635 4.550 -0.000 0.000 0.131 108 Y C 2.632 178.525 175.900 -0.012 0.000 0.878 108 Y CA 0.540 58.629 58.100 -0.019 0.000 1.735 108 Y CB -0.763 37.735 38.460 0.064 0.000 1.144 108 Y HN 0.188 nan 8.280 nan 0.000 0.356 109 T N 0.512 115.211 114.554 0.240 0.000 1.859 109 T HA -0.416 3.934 4.350 -0.000 0.000 0.140 109 T C 1.643 176.380 174.700 0.061 0.000 1.917 109 T CA 2.497 64.666 62.100 0.115 0.000 0.962 109 T CB -1.307 67.623 68.868 0.104 0.000 0.831 109 T HN 0.355 nan 8.240 nan 0.000 0.391 110 I N 2.113 122.707 120.570 0.040 0.000 2.099 110 I HA -0.090 4.080 4.170 -0.000 0.000 0.239 110 I C 3.212 179.283 176.117 -0.077 0.000 1.066 110 I CA 1.771 63.059 61.300 -0.020 0.000 1.324 110 I CB -1.474 36.508 38.000 -0.030 0.000 1.037 110 I HN 0.706 nan 8.210 nan 0.000 0.401 111 G N 1.389 110.139 108.800 -0.082 0.000 2.732 111 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.222 111 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.222 111 G C 1.575 176.429 174.900 -0.078 0.000 1.203 111 G CA 1.026 46.046 45.100 -0.134 0.000 0.780 111 G HN 0.228 nan 8.290 nan 0.000 0.621 112 K N 0.667 121.055 120.400 -0.020 0.000 2.374 112 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 112 K C 2.204 178.795 176.600 -0.015 0.000 1.044 112 K CA 1.235 57.520 56.287 -0.002 0.000 0.933 112 K CB -0.105 32.410 32.500 0.025 0.000 0.745 112 K HN 0.457 nan 8.250 nan 0.000 0.474 113 E N 0.100 120.270 120.200 -0.050 0.000 2.038 113 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 113 E C 0.978 177.535 176.600 -0.072 0.000 0.967 113 E CA 0.398 56.767 56.400 -0.053 0.000 0.816 113 E CB 0.086 29.752 29.700 -0.058 0.000 0.784 113 E HN 0.222 nan 8.360 nan 0.000 0.456 114 I N 2.410 122.887 120.570 -0.154 0.000 2.241 114 I HA 0.087 4.257 4.170 -0.000 0.000 0.294 114 I C 0.830 176.858 176.117 -0.149 0.000 1.145 114 I CA 0.134 61.334 61.300 -0.166 0.000 1.261 114 I CB 0.660 38.511 38.000 -0.249 0.000 1.475 114 I HN 0.069 nan 8.210 nan 0.000 0.533 115 I N 2.408 123.014 120.570 0.061 0.000 5.008 115 I HA 0.083 4.253 4.170 -0.000 0.000 0.374 115 I C 0.272 176.460 176.117 0.119 0.000 1.184 115 I CA 0.604 62.057 61.300 0.256 0.000 1.455 115 I CB 0.662 38.823 38.000 0.268 0.000 1.902 115 I HN 0.319 nan 8.210 nan 0.000 0.629 116 D N 0.536 120.972 120.400 0.060 0.000 2.433 116 D HA 0.230 4.870 4.640 -0.000 0.000 0.211 116 D C 1.663 177.981 176.300 0.030 0.000 1.114 116 D CA 0.230 54.251 54.000 0.035 0.000 0.837 116 D CB 1.262 42.072 40.800 0.018 0.000 0.984 116 D HN 0.220 nan 8.370 nan 0.000 0.505 117 L N -0.324 120.920 121.223 0.036 0.000 2.537 117 L HA 0.115 4.455 4.340 -0.000 0.000 0.224 117 L C 1.455 178.350 176.870 0.042 0.000 1.065 117 L CA 0.288 55.143 54.840 0.025 0.000 0.860 117 L CB 0.530 42.595 42.059 0.010 0.000 1.086 117 L HN -0.079 nan 8.230 nan 0.000 0.482 118 V N -0.398 119.563 119.914 0.078 0.000 2.446 118 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 118 V C 2.123 178.257 176.094 0.068 0.000 1.039 118 V CA 1.094 63.453 62.300 0.098 0.000 1.045 118 V CB -0.026 31.926 31.823 0.214 0.000 0.681 118 V HN 0.279 nan 8.190 nan 0.000 0.459 119 L N 0.576 121.836 121.223 0.061 0.000 2.217 119 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 119 L C 2.064 178.968 176.870 0.057 0.000 1.107 119 L CA 1.902 56.766 54.840 0.040 0.000 0.783 119 L CB -0.429 41.638 42.059 0.013 0.000 0.919 119 L HN 0.417 nan 8.230 nan 0.000 0.442 120 D N -0.657 119.770 120.400 0.046 0.000 2.091 120 D HA -0.216 4.424 4.640 -0.000 0.000 0.199 120 D C 2.336 178.664 176.300 0.048 0.000 0.980 120 D CA 1.246 55.270 54.000 0.041 0.000 0.831 120 D CB 0.050 40.865 40.800 0.025 0.000 0.987 120 D HN 0.169 nan 8.370 nan 0.000 0.460 121 R N 0.070 120.592 120.500 0.037 0.000 2.082 121 R HA -0.099 4.240 4.340 -0.000 0.000 0.234 121 R C 2.623 178.954 176.300 0.051 0.000 1.136 121 R CA 1.617 57.731 56.100 0.023 0.000 0.935 121 R CB -0.572 29.732 30.300 0.006 0.000 0.842 121 R HN 0.231 nan 8.270 nan 0.000 0.430 122 I N 0.527 121.146 120.570 0.081 0.000 2.053 122 I HA -0.415 3.755 4.170 -0.000 0.000 0.236 122 I C 2.762 178.993 176.117 0.190 0.000 1.038 122 I CA 1.582 62.968 61.300 0.144 0.000 1.304 122 I CB -0.449 37.647 38.000 0.160 0.000 1.023 122 I HN 0.319 nan 8.210 nan 0.000 0.395 123 R N 1.622 122.266 120.500 0.239 0.000 2.140 123 R HA -0.200 4.140 4.340 -0.000 0.000 0.250 123 R C 1.195 177.592 176.300 0.162 0.000 1.150 123 R CA 1.654 57.923 56.100 0.283 0.000 0.966 123 R CB -0.402 30.013 30.300 0.192 0.000 0.869 123 R HN 0.399 nan 8.270 nan 0.000 0.445 124 K N 0.652 121.110 120.400 0.097 0.000 3.100 124 K HA 0.084 4.404 4.320 -0.000 0.000 0.256 124 K C 0.915 177.532 176.600 0.029 0.000 1.146 124 K CA -0.038 56.280 56.287 0.052 0.000 1.233 124 K CB 0.171 32.687 32.500 0.026 0.000 1.226 124 K HN 0.224 nan 8.250 nan 0.000 0.442 125 L N -2.013 119.238 121.223 0.046 0.000 1.791 125 L HA 0.110 4.450 4.340 -0.000 0.000 0.194 125 L C 1.131 178.006 176.870 0.008 0.000 1.229 125 L CA 0.402 55.251 54.840 0.016 0.000 1.234 125 L CB -0.297 41.772 42.059 0.016 0.000 2.550 125 L HN 0.145 nan 8.230 nan 0.000 0.511 126 A N -0.410 122.428 122.820 0.031 0.000 2.248 126 A HA -0.043 4.277 4.320 -0.000 0.000 0.210 126 A C -0.137 177.430 177.584 -0.029 0.000 1.174 126 A CA 1.412 53.400 52.037 -0.083 0.000 0.750 126 A CB -0.596 18.335 19.000 -0.115 0.000 0.780 126 A HN 0.555 nan 8.150 nan 0.000 0.478 127 D N -0.902 119.525 120.400 0.045 0.000 2.749 127 D HA 0.393 5.033 4.640 -0.000 0.000 0.338 127 D C -0.494 175.825 176.300 0.032 0.000 1.236 127 D CA 0.017 54.053 54.000 0.059 0.000 0.845 127 D CB 0.637 41.503 40.800 0.110 0.000 1.080 127 D HN 0.222 nan 8.370 nan 0.000 0.497 128 Q N 0.439 120.244 119.800 0.010 0.000 2.271 128 Q HA 0.487 4.827 4.340 -0.000 0.000 0.268 128 Q C -1.325 174.676 176.000 0.001 0.000 1.021 128 Q CA -0.473 55.334 55.803 0.007 0.000 0.802 128 Q CB 1.196 29.936 28.738 0.003 0.000 1.282 128 Q HN 0.336 nan 8.270 nan 0.000 0.431 129 C N 3.048 122.352 119.300 0.007 0.000 1.470 129 C HA -0.119 4.340 4.460 -0.000 0.000 0.220 129 C C 0.334 175.324 174.990 0.000 0.000 0.693 129 C CA 0.670 59.691 59.018 0.005 0.000 3.299 129 C CB -2.045 25.699 27.740 0.007 0.000 1.904 129 C HN 0.933 nan 8.230 nan 0.000 0.274 130 T N 2.379 116.935 114.554 0.004 0.000 2.882 130 T HA 0.319 4.669 4.350 -0.000 0.000 0.330 130 T C 1.012 175.710 174.700 -0.004 0.000 1.075 130 T CA 1.256 63.359 62.100 0.004 0.000 1.129 130 T CB 0.259 69.131 68.868 0.007 0.000 1.071 130 T HN 2.593 nan 8.240 nan 0.000 0.531 131 G N 1.688 110.486 108.800 -0.003 0.000 2.684 131 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.229 131 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.229 131 G C 0.164 175.044 174.900 -0.034 0.000 0.927 131 G CA 0.030 45.124 45.100 -0.011 0.000 1.147 131 G HN 0.761 nan 8.290 nan 0.000 0.402 132 L N 1.956 123.150 121.223 -0.048 0.000 1.946 132 L HA 0.326 4.666 4.340 -0.000 0.000 0.213 132 L C 1.436 178.230 176.870 -0.126 0.000 1.149 132 L CA 1.292 56.063 54.840 -0.115 0.000 0.910 132 L CB -0.209 41.758 42.059 -0.154 0.000 0.939 132 L HN 0.869 nan 8.230 nan 0.000 0.501 133 Q N 0.020 119.743 119.800 -0.128 0.000 2.382 133 Q HA 0.018 4.358 4.340 -0.000 0.000 0.345 133 Q C -0.404 175.511 176.000 -0.140 0.000 1.350 133 Q CA 0.365 56.111 55.803 -0.093 0.000 0.892 133 Q CB -2.099 26.614 28.738 -0.042 0.000 1.058 133 Q HN 0.825 nan 8.270 nan 0.000 0.318 134 G N 0.832 109.515 108.800 -0.195 0.000 2.535 134 G HA2 0.294 4.254 3.960 -0.000 0.000 0.662 134 G HA3 0.294 4.254 3.960 -0.000 0.000 0.662 134 G C -1.514 173.140 174.900 -0.411 0.000 1.417 134 G CA -1.057 43.929 45.100 -0.191 0.000 0.866 134 G HN 0.360 nan 8.290 nan 0.000 0.647 135 F N 0.981 120.914 119.950 -0.027 0.000 3.152 135 F HA 0.492 5.019 4.527 -0.000 0.000 0.367 135 F C 0.283 176.083 175.800 0.001 0.000 1.272 135 F CA -0.948 57.042 58.000 -0.018 0.000 1.172 135 F CB 2.108 41.083 39.000 -0.042 0.000 1.552 135 F HN 0.423 nan 8.300 nan 0.000 0.616 136 S N 2.694 118.550 115.700 0.259 0.000 2.464 136 S HA 0.379 4.849 4.470 -0.000 0.000 0.313 136 S C -0.145 174.571 174.600 0.192 0.000 1.078 136 S CA -0.417 57.878 58.200 0.158 0.000 1.096 136 S CB 0.529 63.830 63.200 0.169 0.000 1.032 136 S HN 0.246 nan 8.310 nan 0.000 0.498 137 V N 5.651 125.618 119.914 0.088 0.000 2.370 137 V HA 0.212 4.332 4.120 -0.000 0.000 0.257 137 V C -0.161 175.975 176.094 0.070 0.000 1.064 137 V CA -0.264 62.082 62.300 0.076 0.000 0.975 137 V CB -0.724 31.063 31.823 -0.059 0.000 1.067 137 V HN 0.656 nan 8.190 nan 0.000 0.485 138 F N 4.987 125.007 119.950 0.118 0.000 2.472 138 F HA 0.284 4.811 4.527 -0.000 0.000 0.364 138 F C 0.958 176.829 175.800 0.118 0.000 1.090 138 F CA 0.419 58.466 58.000 0.077 0.000 1.188 138 F CB 0.293 39.161 39.000 -0.220 0.000 1.105 138 F HN 0.569 nan 8.300 nan 0.000 0.536 139 H N 1.533 120.704 119.070 0.168 0.000 4.199 139 H HA 0.562 5.117 4.556 -0.000 0.000 0.167 139 H C -0.480 174.888 175.328 0.067 0.000 1.512 139 H CA 0.118 56.206 56.048 0.067 0.000 1.274 139 H CB 1.216 30.948 29.762 -0.048 0.000 1.058 139 H HN 0.482 nan 8.280 nan 0.000 0.560 140 S N 0.058 115.647 115.700 -0.185 0.000 2.721 140 S HA -0.013 4.457 4.470 -0.000 0.000 0.544 140 S C -0.721 173.650 174.600 -0.382 0.000 0.697 140 S CA -0.112 57.959 58.200 -0.216 0.000 1.573 140 S CB -2.272 60.927 63.200 -0.002 0.000 1.130 140 S HN 0.616 nan 8.310 nan 0.000 0.465 141 F N 0.515 120.200 119.950 -0.441 0.000 2.497 141 F HA 0.901 5.428 4.527 -0.000 0.000 0.331 141 F C 1.289 176.975 175.800 -0.190 0.000 1.060 141 F CA -0.669 57.117 58.000 -0.358 0.000 0.989 141 F CB 1.425 40.261 39.000 -0.274 0.000 1.245 141 F HN 1.547 nan 8.300 nan 0.000 0.486 142 G N 0.144 108.961 108.800 0.027 0.000 2.151 142 G HA2 0.155 4.115 3.960 -0.000 0.000 0.140 142 G HA3 0.155 4.115 3.960 -0.000 0.000 0.140 142 G C 0.014 174.852 174.900 -0.105 0.000 1.020 142 G CA -0.390 44.695 45.100 -0.024 0.000 0.688 142 G HN 1.661 nan 8.290 nan 0.000 0.500 143 G N -0.379 108.191 108.800 -0.384 0.000 4.836 143 G HA2 0.668 4.628 3.960 -0.000 0.000 0.222 143 G HA3 0.668 4.628 3.960 -0.000 0.000 0.222 143 G C 1.085 175.756 174.900 -0.382 0.000 1.332 143 G CA 1.446 46.274 45.100 -0.452 0.000 0.606 143 G HN 1.873 nan 8.290 nan 0.000 0.357 144 G N 0.221 108.667 108.800 -0.589 0.000 2.561 144 G HA2 0.265 4.224 3.960 -0.000 0.000 0.528 144 G HA3 0.265 4.224 3.960 -0.000 0.000 0.528 144 G C 1.340 176.260 174.900 0.033 0.000 1.334 144 G CA 1.986 47.012 45.100 -0.124 0.000 0.911 144 G HN 2.371 nan 8.290 nan 0.000 0.538 145 T N -2.291 112.327 114.554 0.107 0.000 13.621 145 T HA -0.088 4.262 4.350 -0.000 0.000 0.419 145 T C 3.114 177.966 174.700 0.252 0.000 1.441 145 T CA 3.864 66.051 62.100 0.146 0.000 2.349 145 T CB -1.564 67.354 68.868 0.085 0.000 2.788 145 T HN 2.572 nan 8.240 nan 0.000 0.506 146 G N 0.221 109.141 108.800 0.200 0.000 3.061 146 G HA2 0.381 4.341 3.960 -0.000 0.000 0.208 146 G HA3 0.381 4.341 3.960 -0.000 0.000 0.208 146 G C 1.557 176.648 174.900 0.319 0.000 1.175 146 G CA 1.683 46.938 45.100 0.259 0.000 0.812 146 G HN 1.337 nan 8.290 nan 0.000 0.523 147 S N -1.487 114.361 115.700 0.248 0.000 2.619 147 S HA 0.265 4.735 4.470 -0.000 0.000 0.238 147 S C 2.013 176.872 174.600 0.431 0.000 1.068 147 S CA 1.077 59.434 58.200 0.262 0.000 0.926 147 S CB 0.219 63.402 63.200 -0.028 0.000 0.864 147 S HN 0.311 nan 8.310 nan 0.000 0.493 148 G N -0.349 108.686 108.800 0.392 0.000 2.748 148 G HA2 0.155 4.115 3.960 -0.000 0.000 0.204 148 G HA3 0.155 4.115 3.960 -0.000 0.000 0.204 148 G C 0.959 176.074 174.900 0.359 0.000 1.095 148 G CA -0.032 45.329 45.100 0.435 0.000 0.775 148 G HN 0.506 nan 8.290 nan 0.000 0.531 149 F N 1.826 121.845 119.950 0.115 0.000 2.367 149 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 149 F C 2.644 178.438 175.800 -0.011 0.000 1.094 149 F CA 1.596 59.600 58.000 0.007 0.000 1.409 149 F CB 0.441 39.440 39.000 -0.001 0.000 1.064 149 F HN 0.153 nan 8.300 nan 0.000 0.528 150 T N -1.773 112.655 114.554 -0.211 0.000 3.014 150 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 150 T C 1.911 176.426 174.700 -0.309 0.000 1.078 150 T CA 1.320 63.158 62.100 -0.435 0.000 1.135 150 T CB -0.420 68.165 68.868 -0.472 0.000 0.895 150 T HN 0.248 nan 8.240 nan 0.000 0.480 151 S N 1.075 116.796 115.700 0.036 0.000 2.469 151 S HA 0.035 4.505 4.470 -0.000 0.000 0.238 151 S C 1.627 176.381 174.600 0.256 0.000 0.998 151 S CA 1.091 59.415 58.200 0.206 0.000 0.957 151 S CB -0.293 63.377 63.200 0.784 0.000 0.764 151 S HN 0.506 nan 8.310 nan 0.000 0.514 152 L N 0.420 121.641 121.223 -0.003 0.000 2.362 152 L HA 0.401 4.741 4.340 -0.000 0.000 0.204 152 L C 1.773 178.464 176.870 -0.299 0.000 1.060 152 L CA 0.765 55.483 54.840 -0.204 0.000 0.827 152 L CB -0.850 40.954 42.059 -0.425 0.000 1.027 152 L HN 0.145 nan 8.230 nan 0.000 0.474 153 L N 0.160 121.080 121.223 -0.506 0.000 1.976 153 L HA -0.297 4.043 4.340 -0.000 0.000 0.223 153 L C 2.505 179.142 176.870 -0.388 0.000 1.081 153 L CA 2.640 57.165 54.840 -0.525 0.000 0.784 153 L CB -0.672 40.982 42.059 -0.675 0.000 0.896 153 L HN 0.318 nan 8.230 nan 0.000 0.438 154 M N -1.416 117.905 119.600 -0.465 0.000 2.080 154 M HA -0.243 4.237 4.480 -0.000 0.000 0.260 154 M C 2.244 178.380 176.300 -0.274 0.000 1.068 154 M CA 1.819 56.834 55.300 -0.475 0.000 1.109 154 M CB -1.448 30.548 32.600 -1.006 0.000 1.342 154 M HN 0.302 nan 8.290 nan 0.000 0.405 155 E N 0.380 120.452 120.200 -0.213 0.000 2.273 155 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 155 E C 2.077 178.632 176.600 -0.074 0.000 1.002 155 E CA 1.170 57.527 56.400 -0.072 0.000 0.828 155 E CB 0.123 29.839 29.700 0.026 0.000 0.747 155 E HN 0.278 nan 8.360 nan 0.000 0.491 156 R N -0.640 119.785 120.500 -0.124 0.000 2.048 156 R HA 0.088 4.428 4.340 -0.000 0.000 0.221 156 R C 2.520 178.757 176.300 -0.106 0.000 1.174 156 R CA 0.763 56.798 56.100 -0.107 0.000 0.971 156 R CB -1.028 29.198 30.300 -0.122 0.000 0.863 156 R HN 0.242 nan 8.270 nan 0.000 0.439 157 L N 1.684 122.829 121.223 -0.130 0.000 1.978 157 L HA -0.255 4.085 4.340 -0.000 0.000 0.218 157 L C 2.573 179.453 176.870 0.016 0.000 1.075 157 L CA 2.157 56.966 54.840 -0.051 0.000 0.767 157 L CB -1.094 40.834 42.059 -0.220 0.000 0.890 157 L HN 0.275 nan 8.230 nan 0.000 0.434 158 S N -0.918 114.782 115.700 -0.000 0.000 2.462 158 S HA -0.138 4.331 4.470 -0.000 0.000 0.243 158 S C 1.708 176.317 174.600 0.014 0.000 1.003 158 S CA 1.346 59.572 58.200 0.044 0.000 0.970 158 S CB -0.754 62.475 63.200 0.048 0.000 0.762 158 S HN 0.244 nan 8.310 nan 0.000 0.510 159 V N 1.487 121.382 119.914 -0.032 0.000 3.052 159 V HA 0.093 4.212 4.120 -0.000 0.000 0.254 159 V C 0.686 176.717 176.094 -0.104 0.000 1.100 159 V CA 1.149 63.419 62.300 -0.051 0.000 1.112 159 V CB -0.231 31.560 31.823 -0.053 0.000 0.738 159 V HN 0.487 nan 8.190 nan 0.000 0.469 160 D N -1.542 118.741 120.400 -0.195 0.000 2.740 160 D HA 0.223 4.862 4.640 -0.000 0.000 0.301 160 D C -0.565 175.297 176.300 -0.731 0.000 1.408 160 D CA 0.060 53.804 54.000 -0.426 0.000 0.808 160 D CB 1.027 41.493 40.800 -0.557 0.000 1.128 160 D HN 0.460 nan 8.370 nan 0.000 0.465 161 Y N -1.002 119.343 120.300 0.075 0.000 3.159 161 Y HA 0.149 4.698 4.550 -0.000 0.000 0.294 161 Y C 1.944 177.902 175.900 0.095 0.000 1.027 161 Y CA -0.759 57.414 58.100 0.122 0.000 1.298 161 Y CB -0.040 38.575 38.460 0.258 0.000 1.336 161 Y HN 0.029 nan 8.280 nan 0.000 0.597 162 G N 0.978 109.869 108.800 0.152 0.000 2.656 162 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.223 162 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.223 162 G C 1.704 176.669 174.900 0.108 0.000 1.130 162 G CA 1.653 46.817 45.100 0.107 0.000 0.758 162 G HN 0.366 nan 8.290 nan 0.000 0.608 163 K N -0.128 120.339 120.400 0.111 0.000 2.515 163 K HA 0.046 4.365 4.320 -0.000 0.000 0.196 163 K C 0.709 177.364 176.600 0.092 0.000 1.038 163 K CA 0.235 56.574 56.287 0.087 0.000 0.967 163 K CB -0.010 32.535 32.500 0.076 0.000 0.780 163 K HN 0.170 nan 8.250 nan 0.000 0.483 164 K N -0.023 120.460 120.400 0.138 0.000 2.110 164 K HA 0.159 4.479 4.320 -0.000 0.000 0.263 164 K C -0.612 176.056 176.600 0.113 0.000 0.975 164 K CA -0.361 55.995 56.287 0.115 0.000 0.895 164 K CB 1.833 34.416 32.500 0.138 0.000 1.060 164 K HN -0.135 nan 8.250 nan 0.000 0.448 165 S N 1.555 117.297 115.700 0.069 0.000 2.669 165 S HA 0.450 4.920 4.470 -0.000 0.000 0.270 165 S C -1.093 173.552 174.600 0.075 0.000 1.225 165 S CA -0.547 57.679 58.200 0.045 0.000 0.991 165 S CB 0.375 63.586 63.200 0.017 0.000 0.987 165 S HN 0.443 nan 8.310 nan 0.000 0.552 166 K N 1.519 121.922 120.400 0.006 0.000 2.535 166 K HA 0.491 4.811 4.320 -0.000 0.000 0.250 166 K C -1.749 174.769 176.600 -0.136 0.000 0.948 166 K CA -0.554 55.738 56.287 0.009 0.000 0.796 166 K CB 1.638 34.170 32.500 0.053 0.000 1.216 166 K HN 0.307 nan 8.250 nan 0.000 0.432 167 L N 2.117 123.258 121.223 -0.137 0.000 2.313 167 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 167 L C -0.792 175.910 176.870 -0.281 0.000 1.010 167 L CA -0.173 54.489 54.840 -0.297 0.000 0.814 167 L CB 1.581 43.436 42.059 -0.340 0.000 1.304 167 L HN 0.682 nan 8.230 nan 0.000 0.441 168 E N 0.726 120.671 120.200 -0.424 0.000 2.415 168 E HA 0.238 4.588 4.350 -0.000 0.000 0.302 168 E C -1.561 174.811 176.600 -0.379 0.000 0.907 168 E CA -0.401 55.814 56.400 -0.307 0.000 0.798 168 E CB 0.433 30.032 29.700 -0.167 0.000 1.315 168 E HN 0.206 nan 8.360 nan 0.000 0.396 169 F N 2.473 122.291 119.950 -0.221 0.000 2.573 169 F HA 0.160 4.686 4.527 -0.000 0.000 0.349 169 F C 0.632 176.412 175.800 -0.035 0.000 1.213 169 F CA -0.496 57.428 58.000 -0.126 0.000 1.300 169 F CB 0.579 39.401 39.000 -0.298 0.000 1.661 169 F HN 0.401 nan 8.300 nan 0.000 0.616 170 S N 1.249 116.958 115.700 0.015 0.000 2.465 170 S HA 0.364 4.834 4.470 -0.000 0.000 0.280 170 S C -0.124 174.384 174.600 -0.154 0.000 1.232 170 S CA -0.828 57.284 58.200 -0.146 0.000 1.066 170 S CB 0.140 63.070 63.200 -0.450 0.000 0.929 170 S HN 0.250 nan 8.310 nan 0.000 0.494 171 I N 4.320 124.864 120.570 -0.044 0.000 2.505 171 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 171 I C 0.232 176.514 176.117 0.274 0.000 1.104 171 I CA -0.133 61.235 61.300 0.113 0.000 1.387 171 I CB -0.644 37.420 38.000 0.107 0.000 1.404 171 I HN 0.695 nan 8.210 nan 0.000 0.528 172 Y N 9.760 130.239 120.300 0.298 0.000 2.346 172 Y HA 0.343 4.892 4.550 -0.000 0.000 0.330 172 Y C -1.909 174.143 175.900 0.253 0.000 1.178 172 Y CA -2.155 56.275 58.100 0.550 0.000 1.331 172 Y CB 0.467 39.172 38.460 0.408 0.000 1.253 172 Y HN 0.480 nan 8.280 nan 0.000 0.529 173 P HA 0.020 nan 4.420 nan 0.000 0.270 173 P C -1.517 175.760 177.300 -0.038 0.000 1.221 173 P CA 0.023 63.017 63.100 -0.176 0.000 0.788 173 P CB 0.581 32.024 31.700 -0.427 0.000 0.904 174 A N 2.413 125.178 122.820 -0.091 0.000 2.273 174 A HA 0.491 4.811 4.320 -0.000 0.000 0.315 174 A C -1.670 175.835 177.584 -0.133 0.000 1.256 174 A CA -1.848 50.104 52.037 -0.141 0.000 0.851 174 A CB 0.538 19.276 19.000 -0.436 0.000 1.172 174 A HN 0.252 nan 8.150 nan 0.000 0.508 175 P HA -0.284 nan 4.420 nan 0.000 0.220 175 P C 1.134 178.397 177.300 -0.062 0.000 1.144 175 P CA 1.781 64.858 63.100 -0.039 0.000 0.808 175 P CB 0.045 31.747 31.700 0.002 0.000 0.763 176 Q N -0.840 118.890 119.800 -0.116 0.000 2.491 176 Q HA 0.069 4.409 4.340 -0.000 0.000 0.214 176 Q C -0.097 175.861 176.000 -0.069 0.000 0.970 176 Q CA -0.072 55.674 55.803 -0.095 0.000 0.960 176 Q CB -0.763 27.874 28.738 -0.169 0.000 0.996 176 Q HN -0.106 nan 8.270 nan 0.000 0.524 177 V N 1.090 120.959 119.914 -0.075 0.000 5.063 177 V HA -0.241 3.879 4.120 -0.000 0.000 0.404 177 V C -0.139 175.932 176.094 -0.039 0.000 0.691 177 V CA 1.156 63.417 62.300 -0.065 0.000 1.536 177 V CB -1.277 30.516 31.823 -0.051 0.000 1.815 177 V HN 0.461 nan 8.190 nan 0.000 0.476 178 S N 4.196 119.873 115.700 -0.038 0.000 2.434 178 S HA 0.659 5.129 4.470 -0.000 0.000 0.318 178 S C 0.205 174.808 174.600 0.005 0.000 1.062 178 S CA 0.297 58.502 58.200 0.010 0.000 1.116 178 S CB 1.083 64.311 63.200 0.045 0.000 0.977 178 S HN 1.298 nan 8.310 nan 0.000 0.480 179 T N 1.334 115.895 114.554 0.013 0.000 0.541 179 T HA -0.031 4.319 4.350 -0.000 0.000 0.774 179 T C -0.131 174.548 174.700 -0.034 0.000 0.992 179 T CA -0.198 61.910 62.100 0.014 0.000 4.077 179 T CB -0.940 67.954 68.868 0.043 0.000 2.303 179 T HN 0.885 nan 8.240 nan 0.000 0.398 180 A N 1.382 124.171 122.820 -0.051 0.000 2.263 180 A HA 0.932 5.252 4.320 -0.000 0.000 0.318 180 A C 1.587 179.004 177.584 -0.279 0.000 1.111 180 A CA 0.010 51.929 52.037 -0.196 0.000 0.901 180 A CB 1.173 20.058 19.000 -0.191 0.000 1.280 180 A HN 2.265 nan 8.150 nan 0.000 0.503 181 V N -1.039 118.555 119.914 -0.533 0.000 1.779 181 V HA -0.258 3.862 4.120 -0.000 0.000 0.068 181 V C 1.646 177.538 176.094 -0.337 0.000 0.604 181 V CA 1.885 63.959 62.300 -0.377 0.000 1.516 181 V CB -1.789 29.922 31.823 -0.185 0.000 1.694 181 V HN 0.933 nan 8.190 nan 0.000 0.837 182 V N -0.628 119.185 119.914 -0.168 0.000 2.331 182 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 182 V C 2.096 178.076 176.094 -0.189 0.000 1.034 182 V CA 2.702 65.014 62.300 0.020 0.000 1.027 182 V CB 0.151 31.970 31.823 -0.007 0.000 0.667 182 V HN 0.826 nan 8.190 nan 0.000 0.457 183 E N 1.485 121.504 120.200 -0.301 0.000 2.045 183 E HA -0.223 4.127 4.350 -0.000 0.000 0.212 183 E C -0.315 176.031 176.600 -0.422 0.000 1.039 183 E CA 2.315 58.497 56.400 -0.363 0.000 0.860 183 E CB -1.968 27.538 29.700 -0.323 0.000 0.776 183 E HN 0.541 nan 8.360 nan 0.000 0.467 184 P HA -0.218 nan 4.420 nan 0.000 0.223 184 P C 0.631 177.541 177.300 -0.651 0.000 1.140 184 P CA 1.360 64.053 63.100 -0.679 0.000 0.783 184 P CB -0.036 30.523 31.700 -1.902 0.000 0.759 185 Y N 1.520 121.559 120.300 -0.435 0.000 2.109 185 Y HA -0.170 4.380 4.550 -0.000 0.000 0.285 185 Y C 2.576 178.198 175.900 -0.464 0.000 1.131 185 Y CA 1.436 59.290 58.100 -0.410 0.000 1.121 185 Y CB -1.562 36.776 38.460 -0.203 0.000 0.987 185 Y HN -0.049 nan 8.280 nan 0.000 0.495 186 N N 0.087 118.579 118.700 -0.347 0.000 2.106 186 N HA -0.261 4.479 4.740 -0.000 0.000 0.200 186 N C 1.882 177.173 175.510 -0.366 0.000 1.014 186 N CA 2.163 54.920 53.050 -0.487 0.000 0.891 186 N CB -1.078 36.904 38.487 -0.841 0.000 1.069 186 N HN 0.286 nan 8.380 nan 0.000 0.490 187 S N 1.485 116.890 115.700 -0.491 0.000 2.351 187 S HA -0.130 4.340 4.470 -0.000 0.000 0.220 187 S C 1.988 176.333 174.600 -0.424 0.000 1.035 187 S CA 1.589 59.470 58.200 -0.531 0.000 1.031 187 S CB -0.512 62.165 63.200 -0.872 0.000 0.928 187 S HN 0.469 nan 8.310 nan 0.000 0.433 188 I N 0.633 120.882 120.570 -0.535 0.000 3.334 188 I HA 0.109 4.278 4.170 -0.000 0.000 0.282 188 I C 1.500 177.179 176.117 -0.730 0.000 1.313 188 I CA 0.517 61.421 61.300 -0.660 0.000 1.396 188 I CB -0.649 36.750 38.000 -1.002 0.000 1.054 188 I HN 0.195 nan 8.210 nan 0.000 0.495 189 L N 0.107 121.079 121.223 -0.419 0.000 2.379 189 L HA 0.085 4.425 4.340 -0.000 0.000 0.190 189 L C 2.101 179.059 176.870 0.147 0.000 1.111 189 L CA 1.524 56.309 54.840 -0.092 0.000 0.820 189 L CB -0.805 41.274 42.059 0.034 0.000 1.046 189 L HN 0.197 nan 8.230 nan 0.000 0.485 190 T N 0.438 115.062 114.554 0.116 0.000 2.597 190 T HA -0.288 4.062 4.350 -0.000 0.000 0.267 190 T C 1.780 176.575 174.700 0.159 0.000 1.053 190 T CA 2.901 65.113 62.100 0.187 0.000 1.165 190 T CB -0.660 68.331 68.868 0.205 0.000 0.863 190 T HN 0.557 nan 8.240 nan 0.000 0.427 191 T N 1.245 115.856 114.554 0.095 0.000 3.022 191 T HA -0.322 4.028 4.350 -0.000 0.000 0.252 191 T C 1.357 176.183 174.700 0.210 0.000 1.020 191 T CA 2.532 64.693 62.100 0.103 0.000 1.177 191 T CB -0.418 68.464 68.868 0.023 0.000 0.801 191 T HN 0.848 nan 8.240 nan 0.000 0.515 192 H N -3.569 115.526 119.070 0.041 0.000 3.876 192 H HA 0.293 4.849 4.556 -0.000 0.000 0.262 192 H C 1.366 176.764 175.328 0.117 0.000 1.158 192 H CA 0.486 56.576 56.048 0.070 0.000 1.170 192 H CB -0.468 29.329 29.762 0.059 0.000 1.528 192 H HN 0.247 nan 8.280 nan 0.000 0.689 193 T N 2.289 116.613 114.554 -0.384 0.000 3.406 193 T HA 0.201 4.551 4.350 -0.000 0.000 0.244 193 T C 0.652 175.440 174.700 0.147 0.000 0.949 193 T CA 0.844 62.821 62.100 -0.205 0.000 0.926 193 T CB -0.577 68.197 68.868 -0.157 0.000 1.089 193 T HN 0.771 nan 8.240 nan 0.000 0.604 194 T N -1.457 113.142 114.554 0.074 0.000 1.672 194 T HA 0.258 4.608 4.350 -0.000 0.000 0.180 194 T C 1.429 176.104 174.700 -0.042 0.000 0.699 194 T CA 0.067 62.143 62.100 -0.041 0.000 1.153 194 T CB -0.621 68.259 68.868 0.021 0.000 3.217 194 T HN 0.002 nan 8.240 nan 0.000 0.426 195 L N 2.141 123.358 121.223 -0.011 0.000 2.166 195 L HA -0.212 4.128 4.340 -0.000 0.000 0.228 195 L C 1.551 178.434 176.870 0.021 0.000 1.101 195 L CA 2.378 57.221 54.840 0.004 0.000 0.821 195 L CB -1.198 40.883 42.059 0.037 0.000 0.908 195 L HN 0.598 nan 8.230 nan 0.000 0.447 196 E N 0.504 120.741 120.200 0.060 0.000 2.357 196 E HA 0.095 4.445 4.350 -0.000 0.000 0.194 196 E C 0.045 176.728 176.600 0.138 0.000 1.177 196 E CA 0.703 57.154 56.400 0.083 0.000 0.998 196 E CB -0.949 28.811 29.700 0.099 0.000 1.106 196 E HN 0.814 nan 8.360 nan 0.000 0.470 197 H N -2.256 116.778 119.070 -0.061 0.000 2.904 197 H HA -0.053 4.503 4.556 -0.000 0.000 0.223 197 H C -1.076 174.182 175.328 -0.118 0.000 1.308 197 H CA -0.199 55.797 56.048 -0.086 0.000 1.346 197 H CB -0.510 29.180 29.762 -0.120 0.000 1.783 197 H HN 0.240 nan 8.280 nan 0.000 0.402 198 S N 0.768 115.978 115.700 -0.817 0.000 3.066 198 S HA -0.142 4.328 4.470 -0.000 0.000 0.845 198 S C -0.252 174.061 174.600 -0.478 0.000 0.957 198 S CA 1.251 58.960 58.200 -0.818 0.000 1.344 198 S CB -1.532 60.871 63.200 -1.329 0.000 0.987 198 S HN 0.751 nan 8.310 nan 0.000 0.359 199 D N 1.197 121.392 120.400 -0.340 0.000 2.324 199 D HA 0.335 4.974 4.640 -0.000 0.000 0.212 199 D C 0.945 177.040 176.300 -0.343 0.000 0.984 199 D CA 0.824 54.666 54.000 -0.262 0.000 0.885 199 D CB 0.460 41.162 40.800 -0.164 0.000 0.996 199 D HN 0.890 nan 8.370 nan 0.000 0.505 200 C N 0.014 119.052 119.300 -0.438 0.000 2.889 200 C HA 0.864 5.324 4.460 -0.000 0.000 0.307 200 C C -1.617 172.953 174.990 -0.701 0.000 1.251 200 C CA -0.353 58.312 59.018 -0.588 0.000 1.593 200 C CB 1.001 28.387 27.740 -0.591 0.000 2.104 200 C HN 0.284 nan 8.230 nan 0.000 0.476 201 A N 2.833 125.116 122.820 -0.895 0.000 2.511 201 A HA 0.614 4.934 4.320 -0.000 0.000 0.292 201 A C -1.376 175.738 177.584 -0.784 0.000 1.045 201 A CA -0.321 51.263 52.037 -0.755 0.000 0.870 201 A CB 0.130 18.743 19.000 -0.646 0.000 1.361 201 A HN 0.682 nan 8.150 nan 0.000 0.396 202 F N 3.045 122.701 119.950 -0.490 0.000 2.377 202 F HA 0.361 4.888 4.527 -0.000 0.000 0.360 202 F C 0.950 176.712 175.800 -0.063 0.000 1.147 202 F CA -0.033 57.808 58.000 -0.265 0.000 1.170 202 F CB 0.828 39.652 39.000 -0.294 0.000 1.339 202 F HN 0.493 nan 8.300 nan 0.000 0.552 203 M N 2.930 122.579 119.600 0.081 0.000 2.269 203 M HA -0.006 4.474 4.480 -0.000 0.000 0.350 203 M C 0.890 177.285 176.300 0.159 0.000 1.429 203 M CA 0.169 55.553 55.300 0.141 0.000 1.063 203 M CB 0.828 33.497 32.600 0.116 0.000 1.841 203 M HN 0.526 nan 8.290 nan 0.000 0.455 204 V N 1.257 121.292 119.914 0.200 0.000 2.436 204 V HA -0.054 4.066 4.120 -0.000 0.000 0.240 204 V C 0.328 176.524 176.094 0.171 0.000 1.040 204 V CA 1.223 63.633 62.300 0.183 0.000 1.052 204 V CB -0.167 31.768 31.823 0.187 0.000 0.707 204 V HN 1.071 nan 8.190 nan 0.000 0.469 205 D N 0.288 120.862 120.400 0.289 0.000 3.437 205 D HA -0.194 4.446 4.640 -0.000 0.000 0.243 205 D C 0.530 176.974 176.300 0.240 0.000 1.104 205 D CA 0.671 54.864 54.000 0.321 0.000 1.009 205 D CB -1.544 39.255 40.800 -0.002 0.000 0.937 205 D HN 0.353 nan 8.370 nan 0.000 0.417 206 N N 1.434 120.288 118.700 0.257 0.000 2.144 206 N HA -0.261 4.479 4.740 -0.000 0.000 0.195 206 N C 1.475 177.108 175.510 0.206 0.000 1.006 206 N CA 1.888 55.111 53.050 0.288 0.000 0.880 206 N CB -0.118 38.552 38.487 0.306 0.000 1.018 206 N HN 0.667 nan 8.380 nan 0.000 0.443 207 E N 0.787 121.009 120.200 0.037 0.000 2.068 207 E HA -0.299 4.051 4.350 -0.000 0.000 0.207 207 E C 1.699 178.366 176.600 0.111 0.000 1.032 207 E CA 1.876 58.273 56.400 -0.006 0.000 0.839 207 E CB -0.749 28.976 29.700 0.041 0.000 0.758 207 E HN 0.339 nan 8.360 nan 0.000 0.457 208 A N 0.210 123.099 122.820 0.115 0.000 1.891 208 A HA -0.327 3.993 4.320 -0.000 0.000 0.221 208 A C 2.265 179.932 177.584 0.138 0.000 1.394 208 A CA 2.828 54.927 52.037 0.104 0.000 0.730 208 A CB -1.396 17.655 19.000 0.084 0.000 0.845 208 A HN 0.390 nan 8.150 nan 0.000 0.471 209 I N -1.430 119.244 120.570 0.174 0.000 2.163 209 I HA -0.257 3.912 4.170 -0.000 0.000 0.243 209 I C 2.245 178.472 176.117 0.184 0.000 1.085 209 I CA 1.456 62.841 61.300 0.142 0.000 1.347 209 I CB -0.973 37.083 38.000 0.093 0.000 1.044 209 I HN 0.481 nan 8.210 nan 0.000 0.408 210 Y N 0.307 120.636 120.300 0.047 0.000 2.736 210 Y HA -0.214 4.336 4.550 -0.000 0.000 0.298 210 Y C 1.670 177.595 175.900 0.042 0.000 1.156 210 Y CA 0.197 58.328 58.100 0.053 0.000 1.384 210 Y CB -0.386 38.114 38.460 0.068 0.000 0.976 210 Y HN 0.274 nan 8.280 nan 0.000 0.556 211 D N -0.972 119.543 120.400 0.191 0.000 2.766 211 D HA 0.002 4.642 4.640 -0.000 0.000 0.284 211 D C 1.997 178.344 176.300 0.078 0.000 1.050 211 D CA 0.661 54.730 54.000 0.116 0.000 0.945 211 D CB -0.368 40.489 40.800 0.094 0.000 1.272 211 D HN 0.347 nan 8.370 nan 0.000 0.482 212 I N -0.974 119.639 120.570 0.070 0.000 2.333 212 I HA -0.039 4.131 4.170 -0.000 0.000 0.246 212 I C 1.791 177.924 176.117 0.026 0.000 1.106 212 I CA 0.966 62.292 61.300 0.043 0.000 1.411 212 I CB -0.310 37.711 38.000 0.033 0.000 1.082 212 I HN -0.084 nan 8.210 nan 0.000 0.420 213 C N 1.404 120.715 119.300 0.020 0.000 2.536 213 C HA 0.211 4.671 4.460 -0.000 0.000 0.285 213 C C 2.543 177.535 174.990 0.003 0.000 1.371 213 C CA 0.780 59.793 59.018 -0.008 0.000 1.675 213 C CB -2.121 25.596 27.740 -0.038 0.000 1.689 213 C HN 0.690 nan 8.230 nan 0.000 0.589 214 R N -0.569 119.947 120.500 0.026 0.000 2.369 214 R HA 0.216 4.556 4.340 -0.000 0.000 0.210 214 R C 2.053 178.371 176.300 0.031 0.000 0.881 214 R CA 0.072 56.191 56.100 0.032 0.000 1.031 214 R CB -0.330 30.004 30.300 0.056 0.000 1.184 214 R HN 0.438 nan 8.270 nan 0.000 0.581 215 R N -0.057 120.462 120.500 0.032 0.000 1.921 215 R HA 0.178 4.518 4.340 -0.000 0.000 0.190 215 R C 0.991 177.307 176.300 0.027 0.000 1.595 215 R CA 0.651 56.770 56.100 0.031 0.000 1.236 215 R CB -0.418 29.903 30.300 0.035 0.000 1.010 215 R HN 0.090 nan 8.270 nan 0.000 0.482 216 N N 0.177 118.892 118.700 0.026 0.000 2.513 216 N HA -0.127 4.613 4.740 -0.000 0.000 0.187 216 N C 0.641 176.161 175.510 0.016 0.000 1.056 216 N CA 0.764 53.829 53.050 0.025 0.000 0.907 216 N CB 0.175 38.678 38.487 0.027 0.000 0.954 216 N HN 0.179 nan 8.380 nan 0.000 0.445 217 L N -1.000 120.228 121.223 0.009 0.000 3.229 217 L HA 0.213 4.553 4.340 -0.000 0.000 0.286 217 L C 0.153 177.025 176.870 0.003 0.000 1.239 217 L CA 0.098 54.937 54.840 -0.002 0.000 1.035 217 L CB -0.100 41.946 42.059 -0.021 0.000 1.408 217 L HN -0.012 nan 8.230 nan 0.000 0.593 218 D N 0.996 121.404 120.400 0.014 0.000 3.608 218 D HA -0.322 4.318 4.640 -0.000 0.000 0.152 218 D C 0.345 176.651 176.300 0.010 0.000 0.971 218 D CA 1.979 55.989 54.000 0.016 0.000 1.072 218 D CB -0.621 40.190 40.800 0.017 0.000 0.507 218 D HN 0.194 nan 8.370 nan 0.000 0.520 219 I N -0.574 120.000 120.570 0.006 0.000 8.714 219 I HA -0.243 3.927 4.170 -0.000 0.000 0.126 219 I C 1.142 177.264 176.117 0.008 0.000 1.854 219 I CA 0.931 62.231 61.300 0.000 0.000 2.050 219 I CB -0.618 37.374 38.000 -0.013 0.000 3.870 219 I HN 0.570 nan 8.210 nan 0.000 0.173 220 E N 5.975 126.180 120.200 0.008 0.000 2.014 220 E HA -0.037 4.312 4.350 -0.000 0.000 0.190 220 E C 0.726 177.338 176.600 0.020 0.000 0.980 220 E CA 1.693 58.103 56.400 0.016 0.000 0.807 220 E CB 0.229 29.937 29.700 0.013 0.000 0.770 220 E HN 0.571 nan 8.360 nan 0.000 0.451 221 R N 1.413 121.919 120.500 0.009 0.000 3.050 221 R HA 0.360 4.700 4.340 -0.000 0.000 0.275 221 R C -2.284 174.002 176.300 -0.023 0.000 1.373 221 R CA -2.230 53.875 56.100 0.009 0.000 1.612 221 R CB -0.649 29.654 30.300 0.005 0.000 1.218 221 R HN 0.041 nan 8.270 nan 0.000 0.621 222 P HA -0.141 nan 4.420 nan 0.000 0.170 222 P C -0.649 176.557 177.300 -0.157 0.000 0.837 222 P CA 0.712 63.746 63.100 -0.110 0.000 1.279 222 P CB -0.207 31.401 31.700 -0.153 0.000 1.424 223 T N 2.900 117.397 114.554 -0.096 0.000 2.932 223 T HA -0.046 4.303 4.350 -0.000 0.000 0.312 223 T C 1.428 176.122 174.700 -0.010 0.000 1.071 223 T CA -0.021 62.029 62.100 -0.082 0.000 1.128 223 T CB 0.280 69.111 68.868 -0.062 0.000 0.984 223 T HN 0.331 nan 8.240 nan 0.000 0.549 224 Y N 1.245 121.476 120.300 -0.115 0.000 2.133 224 Y HA -0.297 4.253 4.550 -0.000 0.000 0.279 224 Y C 3.171 179.021 175.900 -0.085 0.000 1.209 224 Y CA 1.277 59.319 58.100 -0.097 0.000 1.152 224 Y CB -0.659 37.789 38.460 -0.019 0.000 0.961 224 Y HN 0.819 nan 8.280 nan 0.000 0.512 225 T N -2.057 112.565 114.554 0.113 0.000 2.788 225 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 225 T C 1.272 175.957 174.700 -0.026 0.000 1.044 225 T CA 1.598 63.718 62.100 0.033 0.000 1.139 225 T CB -0.586 68.298 68.868 0.026 0.000 0.867 225 T HN 0.290 nan 8.240 nan 0.000 0.454 226 N N 1.897 120.575 118.700 -0.037 0.000 2.120 226 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 226 N C 1.424 176.880 175.510 -0.090 0.000 1.024 226 N CA 0.904 53.913 53.050 -0.068 0.000 0.852 226 N CB -0.625 37.817 38.487 -0.075 0.000 1.003 226 N HN 0.265 nan 8.380 nan 0.000 0.424 227 L N 0.465 121.628 121.223 -0.101 0.000 2.395 227 L HA 0.080 4.420 4.340 -0.000 0.000 0.218 227 L C 1.493 178.309 176.870 -0.089 0.000 1.130 227 L CA 1.027 55.797 54.840 -0.117 0.000 0.826 227 L CB -0.538 41.402 42.059 -0.198 0.000 0.941 227 L HN 0.200 nan 8.230 nan 0.000 0.451 228 N N -0.594 118.060 118.700 -0.076 0.000 2.402 228 N HA 0.011 4.751 4.740 -0.000 0.000 0.174 228 N C 1.530 176.963 175.510 -0.127 0.000 1.027 228 N CA 0.369 53.363 53.050 -0.093 0.000 0.891 228 N CB 0.098 38.547 38.487 -0.063 0.000 1.016 228 N HN 0.151 nan 8.380 nan 0.000 0.439 229 R N 0.686 121.116 120.500 -0.117 0.000 2.346 229 R HA 0.036 4.376 4.340 -0.000 0.000 0.199 229 R C 0.775 176.976 176.300 -0.167 0.000 1.015 229 R CA 0.225 56.242 56.100 -0.137 0.000 1.058 229 R CB 0.028 30.261 30.300 -0.112 0.000 0.921 229 R HN 0.183 nan 8.270 nan 0.000 0.475 230 L N -0.862 120.261 121.223 -0.168 0.000 2.854 230 L HA 0.187 4.527 4.340 -0.000 0.000 0.249 230 L C 1.406 178.149 176.870 -0.211 0.000 1.091 230 L CA 0.727 55.445 54.840 -0.204 0.000 0.935 230 L CB 0.273 42.237 42.059 -0.158 0.000 1.367 230 L HN -0.143 nan 8.230 nan 0.000 0.524 231 I N -0.261 120.214 120.570 -0.158 0.000 2.876 231 I HA 0.122 4.292 4.170 -0.000 0.000 0.264 231 I C 2.261 178.259 176.117 -0.199 0.000 1.204 231 I CA 1.131 62.352 61.300 -0.132 0.000 1.485 231 I CB -1.747 36.216 38.000 -0.061 0.000 1.103 231 I HN 0.300 nan 8.210 nan 0.000 0.446 232 G N 0.431 109.093 108.800 -0.230 0.000 2.403 232 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.216 232 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.216 232 G C 1.592 176.309 174.900 -0.305 0.000 1.154 232 G CA 0.491 45.412 45.100 -0.297 0.000 0.784 232 G HN 0.333 nan 8.290 nan 0.000 0.538 233 Q N 0.221 119.847 119.800 -0.291 0.000 1.990 233 Q HA -0.004 4.335 4.340 -0.000 0.000 0.200 233 Q C 2.479 178.336 176.000 -0.238 0.000 0.980 233 Q CA 1.297 56.927 55.803 -0.288 0.000 0.832 233 Q CB -0.334 28.140 28.738 -0.440 0.000 0.897 233 Q HN 0.515 nan 8.270 nan 0.000 0.427 234 I N -0.289 120.091 120.570 -0.316 0.000 2.145 234 I HA -0.346 3.824 4.170 -0.000 0.000 0.244 234 I C 2.115 178.159 176.117 -0.120 0.000 1.075 234 I CA 1.175 62.402 61.300 -0.122 0.000 1.332 234 I CB -0.459 37.472 38.000 -0.115 0.000 1.033 234 I HN 0.121 nan 8.210 nan 0.000 0.410 235 V N -0.148 119.597 119.914 -0.282 0.000 2.392 235 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 235 V C 2.567 178.546 176.094 -0.191 0.000 1.059 235 V CA 2.243 64.263 62.300 -0.467 0.000 1.051 235 V CB -0.668 30.805 31.823 -0.582 0.000 0.658 235 V HN 0.473 nan 8.190 nan 0.000 0.455 236 S N -0.231 115.417 115.700 -0.087 0.000 2.343 236 S HA -0.155 4.314 4.470 -0.000 0.000 0.219 236 S C 1.748 176.359 174.600 0.018 0.000 1.033 236 S CA 1.653 59.892 58.200 0.064 0.000 1.014 236 S CB -0.332 62.902 63.200 0.058 0.000 0.915 236 S HN 0.556 nan 8.310 nan 0.000 0.435 237 S N 0.990 116.724 115.700 0.058 0.000 3.150 237 S HA 0.240 4.710 4.470 -0.000 0.000 0.252 237 S C 0.468 175.083 174.600 0.025 0.000 1.061 237 S CA 0.185 58.426 58.200 0.069 0.000 1.201 237 S CB -0.724 62.589 63.200 0.189 0.000 0.905 237 S HN 0.443 nan 8.310 nan 0.000 0.498 238 I N -1.280 119.301 120.570 0.019 0.000 1.893 238 I HA -0.027 4.143 4.170 -0.000 0.000 0.328 238 I C 2.157 178.349 176.117 0.125 0.000 0.460 238 I CA 0.221 61.558 61.300 0.062 0.000 3.237 238 I CB -0.700 37.292 38.000 -0.013 0.000 1.562 238 I HN 0.254 nan 8.210 nan 0.000 0.542 239 T N 1.295 115.952 114.554 0.172 0.000 2.399 239 T HA -0.349 4.001 4.350 -0.000 0.000 0.242 239 T C 1.819 176.535 174.700 0.026 0.000 1.348 239 T CA 1.956 64.160 62.100 0.175 0.000 1.200 239 T CB -1.240 67.718 68.868 0.149 0.000 0.862 239 T HN 0.515 nan 8.240 nan 0.000 0.404 240 A N 1.510 124.272 122.820 -0.097 0.000 1.869 240 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 240 A C 2.762 180.185 177.584 -0.269 0.000 1.203 240 A CA 3.550 55.385 52.037 -0.337 0.000 0.638 240 A CB -1.673 17.105 19.000 -0.371 0.000 0.831 240 A HN 0.799 nan 8.150 nan 0.000 0.450 241 S N -1.500 114.141 115.700 -0.098 0.000 2.428 241 S HA -0.143 4.326 4.470 -0.000 0.000 0.240 241 S C 0.575 175.238 174.600 0.105 0.000 1.036 241 S CA 1.740 59.950 58.200 0.016 0.000 1.009 241 S CB -0.340 62.870 63.200 0.016 0.000 0.803 241 S HN 0.415 nan 8.310 nan 0.000 0.486 242 L N 0.765 122.028 121.223 0.066 0.000 2.980 242 L HA 0.543 4.882 4.340 -0.000 0.000 0.314 242 L C 0.491 177.403 176.870 0.070 0.000 1.303 242 L CA -0.002 54.863 54.840 0.043 0.000 0.785 242 L CB 1.076 43.055 42.059 -0.134 0.000 1.190 242 L HN -0.086 nan 8.230 nan 0.000 0.567 243 R N 1.034 121.636 120.500 0.171 0.000 2.534 243 R HA 0.323 4.663 4.340 -0.000 0.000 0.438 243 R C -0.582 175.847 176.300 0.216 0.000 0.913 243 R CA 0.062 56.236 56.100 0.124 0.000 1.130 243 R CB 0.695 31.015 30.300 0.034 0.000 1.611 243 R HN 0.395 nan 8.270 nan 0.000 0.571 244 F N -1.423 118.490 119.950 -0.061 0.000 2.708 244 F HA 0.315 4.842 4.527 -0.000 0.000 0.344 244 F C 0.369 176.145 175.800 -0.039 0.000 1.447 244 F CA -1.166 56.803 58.000 -0.051 0.000 1.140 244 F CB 0.537 39.502 39.000 -0.058 0.000 1.657 244 F HN -0.137 nan 8.300 nan 0.000 0.598 245 D N 2.379 122.747 120.400 -0.054 0.000 4.006 245 D HA -0.205 4.435 4.640 -0.000 0.000 0.295 245 D C 1.783 177.889 176.300 -0.324 0.000 0.670 245 D CA 4.094 58.007 54.000 -0.145 0.000 0.851 245 D CB -0.796 39.946 40.800 -0.096 0.000 0.365 245 D HN 1.211 nan 8.370 nan 0.000 0.282 246 G N -1.428 107.190 108.800 -0.303 0.000 4.269 246 G HA2 0.005 3.965 3.960 -0.000 0.000 0.290 246 G HA3 0.005 3.965 3.960 -0.000 0.000 0.290 246 G C 0.622 175.426 174.900 -0.160 0.000 1.570 246 G CA 2.146 47.049 45.100 -0.329 0.000 1.072 246 G HN 1.593 nan 8.290 nan 0.000 0.681 247 A N -0.966 121.761 122.820 -0.155 0.000 2.751 247 A HA 0.836 5.156 4.320 -0.000 0.000 0.201 247 A C 0.100 177.633 177.584 -0.086 0.000 1.619 247 A CA 0.529 52.536 52.037 -0.051 0.000 1.607 247 A CB -0.433 18.606 19.000 0.066 0.000 1.580 247 A HN 1.379 nan 8.150 nan 0.000 0.499 248 L N 2.248 123.406 121.223 -0.108 0.000 2.490 248 L HA 0.156 4.496 4.340 -0.000 0.000 0.274 248 L C 0.092 176.897 176.870 -0.109 0.000 1.201 248 L CA 0.525 55.308 54.840 -0.095 0.000 0.869 248 L CB -0.256 41.737 42.059 -0.109 0.000 1.123 248 L HN 0.632 nan 8.230 nan 0.000 0.484 249 N N 2.075 120.724 118.700 -0.084 0.000 3.512 249 N HA 0.737 5.477 4.740 -0.000 0.000 0.360 249 N C -1.363 174.094 175.510 -0.087 0.000 1.593 249 N CA -0.469 52.530 53.050 -0.084 0.000 0.672 249 N CB 1.420 39.861 38.487 -0.077 0.000 2.105 249 N HN 0.308 nan 8.380 nan 0.000 0.645 250 V N -0.427 119.436 119.914 -0.085 0.000 3.279 250 V HA 0.295 4.415 4.120 -0.000 0.000 0.281 250 V C -1.982 174.064 176.094 -0.081 0.000 1.601 250 V CA -0.646 61.583 62.300 -0.118 0.000 1.044 250 V CB 2.535 34.219 31.823 -0.232 0.000 1.205 250 V HN 0.777 nan 8.190 nan 0.000 0.464 251 D N 2.451 122.808 120.400 -0.072 0.000 2.619 251 D HA 0.379 5.018 4.640 -0.000 0.000 0.241 251 D C 0.752 177.071 176.300 0.031 0.000 1.087 251 D CA -0.574 53.418 54.000 -0.014 0.000 0.851 251 D CB 2.089 42.886 40.800 -0.004 0.000 1.474 251 D HN 0.440 nan 8.370 nan 0.000 0.478 252 L N 2.564 123.847 121.223 0.099 0.000 2.081 252 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 252 L C 2.049 179.020 176.870 0.168 0.000 1.080 252 L CA 2.492 57.461 54.840 0.214 0.000 0.754 252 L CB -0.925 41.222 42.059 0.147 0.000 0.893 252 L HN 0.731 nan 8.230 nan 0.000 0.433 253 T N -3.142 111.463 114.554 0.085 0.000 2.759 253 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 253 T C 1.218 175.958 174.700 0.066 0.000 1.042 253 T CA 0.919 63.054 62.100 0.059 0.000 1.140 253 T CB -0.283 68.604 68.868 0.031 0.000 0.864 253 T HN 0.110 nan 8.240 nan 0.000 0.455 254 E N 0.153 120.385 120.200 0.054 0.000 2.364 254 E HA 0.395 4.744 4.350 -0.000 0.000 0.270 254 E C -0.124 176.501 176.600 0.042 0.000 1.398 254 E CA -0.340 56.078 56.400 0.030 0.000 1.721 254 E CB -0.317 29.376 29.700 -0.012 0.000 1.525 254 E HN 0.493 nan 8.360 nan 0.000 0.446 255 F N -0.257 119.689 119.950 -0.006 0.000 2.637 255 F HA 0.157 4.684 4.527 -0.000 0.000 0.284 255 F C 1.480 177.271 175.800 -0.014 0.000 1.105 255 F CA 0.483 58.487 58.000 0.006 0.000 1.356 255 F CB 0.568 39.578 39.000 0.016 0.000 1.096 255 F HN 0.071 nan 8.300 nan 0.000 0.616 256 Q N -0.463 119.456 119.800 0.198 0.000 2.134 256 Q HA -0.042 4.298 4.340 -0.000 0.000 0.195 256 Q C 2.176 178.196 176.000 0.032 0.000 0.958 256 Q CA 2.048 57.889 55.803 0.064 0.000 0.840 256 Q CB -0.900 27.831 28.738 -0.013 0.000 0.918 256 Q HN 0.397 nan 8.270 nan 0.000 0.467 257 T N -0.056 114.515 114.554 0.028 0.000 2.795 257 T HA -0.268 4.081 4.350 -0.000 0.000 0.266 257 T C 0.281 174.983 174.700 0.004 0.000 1.056 257 T CA 1.593 63.694 62.100 0.002 0.000 1.141 257 T CB -0.895 67.977 68.868 0.006 0.000 0.840 257 T HN 0.558 nan 8.240 nan 0.000 0.493 258 N N 0.226 118.945 118.700 0.031 0.000 2.609 258 N HA 0.622 5.362 4.740 -0.000 0.000 0.268 258 N C -0.173 175.379 175.510 0.071 0.000 1.106 258 N CA -0.885 52.185 53.050 0.034 0.000 0.823 258 N CB 1.894 40.396 38.487 0.025 0.000 1.263 258 N HN 0.179 nan 8.380 nan 0.000 0.533 259 L N -0.032 121.212 121.223 0.035 0.000 1.444 259 L HA -0.122 4.218 4.340 -0.000 0.000 0.499 259 L C -1.176 175.669 176.870 -0.041 0.000 0.769 259 L CA 0.073 54.928 54.840 0.025 0.000 2.413 259 L CB -0.370 41.760 42.059 0.118 0.000 1.136 259 L HN 0.431 nan 8.230 nan 0.000 0.545 260 V N 0.639 120.522 119.914 -0.051 0.000 2.383 260 V HA 0.210 4.330 4.120 -0.000 0.000 0.264 260 V C -1.356 174.645 176.094 -0.155 0.000 1.001 260 V CA -0.771 61.473 62.300 -0.094 0.000 0.828 260 V CB 1.013 32.782 31.823 -0.091 0.000 1.069 260 V HN -0.060 nan 8.190 nan 0.000 0.451 261 P HA -0.135 nan 4.420 nan 0.000 0.206 261 P C -0.210 176.689 177.300 -0.667 0.000 1.142 261 P CA 1.671 64.538 63.100 -0.388 0.000 0.946 261 P CB 0.092 31.662 31.700 -0.216 0.000 0.777 262 Y N -3.332 116.777 120.300 -0.317 0.000 2.587 262 Y HA 0.297 4.847 4.550 -0.000 0.000 0.337 262 Y C -1.235 174.654 175.900 -0.017 0.000 1.065 262 Y CA -2.412 55.604 58.100 -0.140 0.000 1.126 262 Y CB -0.280 38.110 38.460 -0.117 0.000 1.279 262 Y HN -0.027 nan 8.280 nan 0.000 0.489 263 P HA -0.225 nan 4.420 nan 0.000 0.218 263 P C 0.585 177.969 177.300 0.141 0.000 1.146 263 P CA 1.243 64.400 63.100 0.094 0.000 0.820 263 P CB 0.291 32.037 31.700 0.076 0.000 0.778 264 R N 0.684 121.347 120.500 0.273 0.000 4.432 264 R HA 0.167 4.507 4.340 -0.000 0.000 0.165 264 R C 1.291 177.804 176.300 0.356 0.000 1.929 264 R CA 0.259 56.541 56.100 0.304 0.000 1.469 264 R CB -2.052 28.477 30.300 0.382 0.000 1.368 264 R HN 0.152 nan 8.270 nan 0.000 0.811 265 A N 0.951 123.840 122.820 0.114 0.000 2.232 265 A HA -0.291 4.028 4.320 -0.000 0.000 0.353 265 A C -0.030 177.435 177.584 -0.200 0.000 1.490 265 A CA 1.131 53.097 52.037 -0.118 0.000 1.335 265 A CB -1.446 nan 19.000 nan 0.000 0.708 265 A HN 0.738 nan 8.150 nan 0.000 0.353 266 H N -1.780 117.279 119.070 -0.019 0.000 3.134 266 H HA -0.043 4.513 4.556 -0.000 0.000 0.284 266 H C -0.039 175.222 175.328 -0.110 0.000 0.896 266 H CA 1.669 57.801 56.048 0.139 0.000 1.366 266 H CB -0.395 29.410 29.762 0.072 0.000 1.203 266 H HN 0.368 nan 8.280 nan 0.000 0.571 267 F N 4.678 124.471 119.950 -0.262 0.000 2.368 267 F HA 0.240 4.767 4.527 -0.000 0.000 0.362 267 F C -1.809 173.767 175.800 -0.374 0.000 1.137 267 F CA -3.232 54.517 58.000 -0.417 0.000 1.161 267 F CB 0.039 38.714 39.000 -0.541 0.000 1.265 267 F HN 0.334 nan 8.300 nan 0.000 0.530 268 P HA 0.056 nan 4.420 nan 0.000 0.271 268 P C -0.561 176.655 177.300 -0.140 0.000 1.216 268 P CA -0.282 62.668 63.100 -0.250 0.000 0.771 268 P CB 1.623 33.122 31.700 -0.335 0.000 0.864 269 L N 3.045 124.213 121.223 -0.092 0.000 2.292 269 L HA 0.627 4.966 4.340 -0.000 0.000 0.284 269 L C -0.470 176.411 176.870 0.018 0.000 1.065 269 L CA -0.937 53.872 54.840 -0.053 0.000 0.806 269 L CB 0.308 42.284 42.059 -0.138 0.000 1.175 269 L HN 0.456 nan 8.230 nan 0.000 0.431 270 A N 3.453 126.324 122.820 0.085 0.000 2.295 270 A HA 0.845 5.165 4.320 -0.000 0.000 0.318 270 A C -0.324 177.266 177.584 0.010 0.000 1.134 270 A CA -0.292 51.797 52.037 0.088 0.000 0.827 270 A CB 0.572 19.666 19.000 0.157 0.000 1.136 270 A HN 0.824 nan 8.150 nan 0.000 0.493 271 T N 1.456 116.001 114.554 -0.015 0.000 3.842 271 T HA 0.260 4.610 4.350 -0.000 0.000 0.336 271 T C -1.481 173.201 174.700 -0.030 0.000 0.900 271 T CA -0.160 61.913 62.100 -0.044 0.000 1.022 271 T CB -0.012 68.767 68.868 -0.148 0.000 1.068 271 T HN 0.495 nan 8.240 nan 0.000 0.464 272 Y N 1.966 122.204 120.300 -0.104 0.000 2.310 272 Y HA 0.612 5.162 4.550 -0.000 0.000 0.326 272 Y C 0.908 176.753 175.900 -0.092 0.000 1.151 272 Y CA 0.003 58.043 58.100 -0.101 0.000 1.195 272 Y CB 1.240 39.654 38.460 -0.077 0.000 1.210 272 Y HN 0.737 nan 8.280 nan 0.000 0.483 273 A N 4.911 127.683 122.820 -0.079 0.000 1.988 273 A HA 0.273 4.593 4.320 -0.000 0.000 0.201 273 A C -2.027 175.582 177.584 0.042 0.000 1.410 273 A CA 0.030 52.053 52.037 -0.024 0.000 0.832 273 A CB -0.822 18.123 19.000 -0.092 0.000 0.981 273 A HN 0.571 nan 8.150 nan 0.000 0.492 274 P HA 0.359 nan 4.420 nan 0.000 0.251 274 P C -1.087 176.290 177.300 0.129 0.000 1.718 274 P CA 0.283 63.423 63.100 0.067 0.000 1.119 274 P CB 0.909 32.625 31.700 0.028 0.000 1.762 275 V N 6.394 126.371 119.914 0.104 0.000 2.334 275 V HA 0.426 4.545 4.120 -0.000 0.000 0.281 275 V C -0.186 175.919 176.094 0.018 0.000 1.016 275 V CA -0.658 61.679 62.300 0.063 0.000 0.832 275 V CB 1.320 33.175 31.823 0.053 0.000 0.999 275 V HN 0.352 nan 8.190 nan 0.000 0.439 276 I N 5.258 125.806 120.570 -0.038 0.000 2.548 276 I HA 0.436 4.605 4.170 -0.000 0.000 0.287 276 I C 0.976 176.993 176.117 -0.168 0.000 1.103 276 I CA 0.312 61.565 61.300 -0.077 0.000 1.049 276 I CB 2.208 40.154 38.000 -0.091 0.000 1.232 276 I HN 0.589 nan 8.210 nan 0.000 0.429 277 S N 6.239 121.888 115.700 -0.086 0.000 2.482 277 S HA 0.070 4.540 4.470 -0.000 0.000 0.226 277 S C 1.234 175.765 174.600 -0.115 0.000 1.048 277 S CA 1.641 59.798 58.200 -0.072 0.000 1.158 277 S CB -0.617 62.582 63.200 -0.002 0.000 1.130 277 S HN 1.900 nan 8.310 nan 0.000 0.413 278 A N 0.260 123.082 122.820 0.003 0.000 2.510 278 A HA 0.131 4.451 4.320 -0.000 0.000 0.189 278 A C 1.456 179.211 177.584 0.286 0.000 2.148 278 A CA 0.824 52.937 52.037 0.127 0.000 1.512 278 A CB -1.235 17.796 19.000 0.050 0.000 1.217 278 A HN 0.607 nan 8.150 nan 0.000 0.371 279 E N 0.867 121.161 120.200 0.157 0.000 2.418 279 E HA 0.199 4.548 4.350 -0.000 0.000 0.197 279 E C 0.735 177.412 176.600 0.128 0.000 1.026 279 E CA 1.432 57.903 56.400 0.118 0.000 0.862 279 E CB 0.035 29.776 29.700 0.068 0.000 0.799 279 E HN 0.542 nan 8.360 nan 0.000 0.518 280 K N -0.122 120.396 120.400 0.198 0.000 2.350 280 K HA 0.655 4.975 4.320 -0.000 0.000 0.241 280 K C -1.226 175.529 176.600 0.257 0.000 0.994 280 K CA -0.956 55.432 56.287 0.168 0.000 0.839 280 K CB 1.640 34.218 32.500 0.130 0.000 1.244 280 K HN 0.054 nan 8.250 nan 0.000 0.443 281 A N 2.734 125.627 122.820 0.122 0.000 2.396 281 A HA 0.209 4.529 4.320 -0.000 0.000 0.279 281 A C 0.147 177.881 177.584 0.248 0.000 1.165 281 A CA -0.172 51.886 52.037 0.035 0.000 0.824 281 A CB -0.528 18.470 19.000 -0.003 0.000 1.100 281 A HN 0.852 nan 8.150 nan 0.000 0.516 282 Y N 0.938 121.290 120.300 0.086 0.000 2.509 282 Y HA -0.090 4.460 4.550 -0.000 0.000 0.293 282 Y C 1.313 177.317 175.900 0.173 0.000 1.133 282 Y CA 0.487 58.646 58.100 0.098 0.000 1.283 282 Y CB -0.157 38.347 38.460 0.072 0.000 1.001 282 Y HN 0.978 nan 8.280 nan 0.000 0.555 283 H N 0.769 119.888 119.070 0.082 0.000 2.976 283 H HA -0.242 4.313 4.556 -0.000 0.000 0.273 283 H C 1.118 176.466 175.328 0.033 0.000 1.259 283 H CA 0.528 56.598 56.048 0.036 0.000 1.122 283 H CB -1.521 28.278 29.762 0.061 0.000 1.298 283 H HN 0.609 nan 8.280 nan 0.000 0.379 284 E N -1.763 118.442 120.200 0.008 0.000 4.908 284 E HA -0.354 3.996 4.350 -0.000 0.000 0.164 284 E C -0.244 176.385 176.600 0.048 0.000 1.196 284 E CA 2.134 58.520 56.400 -0.023 0.000 2.347 284 E CB -0.795 28.838 29.700 -0.112 0.000 1.786 284 E HN 0.778 nan 8.360 nan 0.000 0.456 285 Q N -0.934 118.891 119.800 0.043 0.000 2.943 285 Q HA 0.601 4.941 4.340 -0.000 0.000 0.305 285 Q C -1.644 174.425 176.000 0.115 0.000 0.873 285 Q CA -0.210 55.645 55.803 0.086 0.000 0.773 285 Q CB 1.392 30.159 28.738 0.048 0.000 1.501 285 Q HN 0.198 nan 8.270 nan 0.000 0.442 286 L N 1.220 122.519 121.223 0.126 0.000 2.356 286 L HA 0.616 4.956 4.340 -0.000 0.000 0.277 286 L C 0.000 176.938 176.870 0.113 0.000 0.996 286 L CA -1.128 53.799 54.840 0.145 0.000 0.822 286 L CB 1.782 43.925 42.059 0.139 0.000 1.256 286 L HN 0.765 nan 8.230 nan 0.000 0.413 287 S N 0.945 116.709 115.700 0.106 0.000 2.554 287 S HA 0.004 4.473 4.470 -0.000 0.000 0.290 287 S C 1.174 175.841 174.600 0.111 0.000 1.309 287 S CA -0.690 57.563 58.200 0.089 0.000 1.047 287 S CB 0.896 64.144 63.200 0.080 0.000 0.828 287 S HN 0.405 nan 8.310 nan 0.000 0.509 288 V N 1.707 121.687 119.914 0.110 0.000 3.284 288 V HA -0.034 4.085 4.120 -0.000 0.000 0.273 288 V C 2.011 178.236 176.094 0.218 0.000 1.178 288 V CA 1.730 64.127 62.300 0.161 0.000 1.177 288 V CB -2.195 29.694 31.823 0.110 0.000 0.793 288 V HN 1.027 nan 8.190 nan 0.000 0.536 289 A N -1.058 121.856 122.820 0.156 0.000 2.390 289 A HA 0.223 4.543 4.320 -0.000 0.000 0.225 289 A C 1.875 179.540 177.584 0.135 0.000 1.232 289 A CA 0.013 52.144 52.037 0.157 0.000 0.964 289 A CB 0.123 19.183 19.000 0.099 0.000 1.064 289 A HN 0.420 nan 8.150 nan 0.000 0.525 290 E N -0.051 120.223 120.200 0.122 0.000 2.268 290 E HA -0.041 4.308 4.350 -0.000 0.000 0.195 290 E C 1.369 178.040 176.600 0.117 0.000 0.995 290 E CA 0.839 57.308 56.400 0.114 0.000 0.836 290 E CB -0.027 29.748 29.700 0.124 0.000 0.763 290 E HN 0.694 nan 8.360 nan 0.000 0.491 291 I N -0.251 120.395 120.570 0.126 0.000 2.499 291 I HA -0.126 4.044 4.170 -0.000 0.000 0.243 291 I C 1.990 178.186 176.117 0.133 0.000 1.085 291 I CA 0.676 62.038 61.300 0.103 0.000 1.422 291 I CB 0.132 38.173 38.000 0.068 0.000 1.165 291 I HN -0.059 nan 8.210 nan 0.000 0.440 292 T N 1.755 116.425 114.554 0.194 0.000 4.354 292 T HA -0.002 4.348 4.350 -0.000 0.000 0.234 292 T C 0.649 175.669 174.700 0.533 0.000 0.798 292 T CA 0.745 63.057 62.100 0.353 0.000 0.885 292 T CB -0.807 68.329 68.868 0.448 0.000 1.350 292 T HN 0.327 nan 8.240 nan 0.000 0.755 293 N N -0.541 118.434 118.700 0.457 0.000 2.128 293 N HA 0.142 4.882 4.740 -0.000 0.000 0.276 293 N C 1.760 177.469 175.510 0.332 0.000 1.008 293 N CA 0.609 53.898 53.050 0.398 0.000 0.762 293 N CB -0.342 38.239 38.487 0.156 0.000 1.811 293 N HN 0.418 nan 8.380 nan 0.000 0.722 294 A N 0.880 123.820 122.820 0.199 0.000 1.929 294 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 294 A C 2.346 179.982 177.584 0.086 0.000 1.176 294 A CA 1.326 53.435 52.037 0.120 0.000 0.628 294 A CB -0.970 18.080 19.000 0.082 0.000 0.816 294 A HN 0.496 nan 8.150 nan 0.000 0.444 295 C N -1.371 117.968 119.300 0.066 0.000 2.413 295 C HA 0.020 4.480 4.460 -0.000 0.000 0.292 295 C C 1.376 176.135 174.990 -0.384 0.000 1.435 295 C CA 0.780 59.698 59.018 -0.166 0.000 1.791 295 C CB -1.839 25.749 27.740 -0.254 0.000 1.784 295 C HN 0.480 nan 8.230 nan 0.000 0.548 296 F N 0.127 120.090 119.950 0.022 0.000 2.724 296 F HA 0.426 4.953 4.527 -0.000 0.000 0.310 296 F C 0.565 176.382 175.800 0.029 0.000 1.107 296 F CA -0.301 57.719 58.000 0.034 0.000 1.218 296 F CB -0.122 38.910 39.000 0.054 0.000 1.042 296 F HN 0.014 nan 8.300 nan 0.000 0.540 297 E N 2.331 122.614 120.200 0.139 0.000 2.227 297 E HA 0.209 4.559 4.350 -0.000 0.000 0.282 297 E C -1.471 175.159 176.600 0.051 0.000 1.015 297 E CA -2.269 54.188 56.400 0.094 0.000 0.823 297 E CB 0.896 30.643 29.700 0.078 0.000 1.081 297 E HN -0.119 nan 8.360 nan 0.000 0.396 298 P HA -0.317 nan 4.420 nan 0.000 0.208 298 P C 0.687 177.997 177.300 0.018 0.000 1.180 298 P CA 1.816 64.929 63.100 0.022 0.000 0.935 298 P CB -0.013 31.701 31.700 0.023 0.000 0.785 299 A N -0.626 122.210 122.820 0.027 0.000 2.310 299 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 299 A C 1.761 179.362 177.584 0.028 0.000 1.197 299 A CA 1.747 53.801 52.037 0.029 0.000 0.690 299 A CB -1.798 17.222 19.000 0.034 0.000 0.779 299 A HN 0.449 nan 8.150 nan 0.000 0.496 300 N N -1.108 117.605 118.700 0.022 0.000 2.230 300 N HA 0.063 4.803 4.740 -0.000 0.000 0.202 300 N C 0.315 175.833 175.510 0.012 0.000 1.119 300 N CA -0.213 52.851 53.050 0.023 0.000 0.851 300 N CB 0.286 38.787 38.487 0.025 0.000 0.990 300 N HN 0.671 nan 8.380 nan 0.000 0.497 301 Q N -0.114 119.685 119.800 -0.000 0.000 2.177 301 Q HA 0.252 4.592 4.340 -0.000 0.000 0.183 301 Q C 0.499 176.505 176.000 0.009 0.000 1.040 301 Q CA -0.350 55.447 55.803 -0.011 0.000 1.089 301 Q CB 0.789 29.508 28.738 -0.032 0.000 1.130 301 Q HN 0.027 nan 8.270 nan 0.000 0.575 302 M N -0.194 119.412 119.600 0.010 0.000 2.562 302 M HA 0.129 4.609 4.480 -0.000 0.000 0.194 302 M C -0.072 176.232 176.300 0.006 0.000 1.354 302 M CA 0.274 55.593 55.300 0.030 0.000 1.305 302 M CB 0.164 32.802 32.600 0.062 0.000 0.985 302 M HN 0.319 nan 8.290 nan 0.000 0.488 303 V N 2.453 122.351 119.914 -0.027 0.000 2.509 303 V HA -0.058 4.062 4.120 -0.000 0.000 0.297 303 V C 0.652 176.699 176.094 -0.079 0.000 1.014 303 V CA 0.031 62.271 62.300 -0.100 0.000 1.127 303 V CB -0.520 31.217 31.823 -0.144 0.000 0.925 303 V HN 0.346 nan 8.190 nan 0.000 0.480 304 K N 4.302 124.658 120.400 -0.074 0.000 2.199 304 K HA 0.117 4.437 4.320 -0.000 0.000 0.226 304 K C 0.415 176.994 176.600 -0.035 0.000 1.237 304 K CA -0.281 55.988 56.287 -0.031 0.000 1.170 304 K CB -0.368 32.130 32.500 -0.003 0.000 1.418 304 K HN 0.918 nan 8.250 nan 0.000 0.255 305 C N 1.388 120.664 119.300 -0.040 0.000 1.426 305 C HA 0.356 4.815 4.460 -0.000 0.000 0.156 305 C C -0.065 174.920 174.990 -0.007 0.000 2.993 305 C CA -0.125 58.876 59.018 -0.028 0.000 1.872 305 C CB 0.591 28.296 27.740 -0.058 0.000 2.433 305 C HN 0.879 nan 8.230 nan 0.000 0.258 306 D N -0.885 119.499 120.400 -0.028 0.000 3.222 306 D HA 0.101 4.740 4.640 -0.000 0.000 0.198 306 D C -2.468 173.728 176.300 -0.174 0.000 1.360 306 D CA -0.298 53.655 54.000 -0.077 0.000 1.388 306 D CB -0.227 40.573 40.800 0.001 0.000 1.213 306 D HN 0.163 nan 8.370 nan 0.000 0.717 307 P HA 0.022 nan 4.420 nan 0.000 0.261 307 P C 1.140 178.390 177.300 -0.084 0.000 1.297 307 P CA 0.298 63.348 63.100 -0.082 0.000 0.757 307 P CB -0.204 31.445 31.700 -0.084 0.000 1.149 308 R N 0.426 120.726 120.500 -0.333 0.000 2.280 308 R HA -0.063 4.277 4.340 -0.000 0.000 0.207 308 R C 0.071 176.136 176.300 -0.392 0.000 1.043 308 R CA 0.824 56.686 56.100 -0.396 0.000 1.006 308 R CB -0.017 29.973 30.300 -0.517 0.000 0.885 308 R HN 0.316 nan 8.270 nan 0.000 0.467 309 H N -1.150 117.952 119.070 0.055 0.000 2.429 309 H HA 0.435 4.991 4.556 -0.000 0.000 0.231 309 H C -0.629 174.732 175.328 0.054 0.000 1.416 309 H CA -0.229 55.848 56.048 0.048 0.000 1.443 309 H CB 0.902 30.687 29.762 0.039 0.000 1.591 309 H HN 0.280 nan 8.280 nan 0.000 0.507 310 G N 1.846 110.716 108.800 0.116 0.000 2.405 310 G HA2 0.154 4.114 3.960 -0.000 0.000 0.312 310 G HA3 0.154 4.114 3.960 -0.000 0.000 0.312 310 G C -1.011 173.960 174.900 0.118 0.000 1.579 310 G CA -1.230 43.932 45.100 0.103 0.000 0.933 310 G HN 0.289 nan 8.290 nan 0.000 0.628 311 K N 2.424 122.874 120.400 0.083 0.000 2.278 311 K HA 0.344 4.663 4.320 -0.000 0.000 0.289 311 K C -0.546 176.074 176.600 0.034 0.000 1.080 311 K CA -0.669 55.646 56.287 0.047 0.000 0.934 311 K CB 0.484 33.004 32.500 0.032 0.000 1.093 311 K HN 0.359 nan 8.250 nan 0.000 0.459 312 Y N 2.795 122.876 120.300 -0.365 0.000 2.890 312 Y HA -0.164 4.385 4.550 -0.000 0.000 0.341 312 Y C 1.335 177.022 175.900 -0.356 0.000 1.269 312 Y CA 0.135 57.968 58.100 -0.444 0.000 1.517 312 Y CB 0.150 38.122 38.460 -0.813 0.000 1.314 312 Y HN 0.606 nan 8.280 nan 0.000 0.622 313 M N 1.140 120.667 119.600 -0.122 0.000 2.313 313 M HA 0.385 4.865 4.480 -0.000 0.000 0.273 313 M C 0.712 176.964 176.300 -0.081 0.000 1.049 313 M CA 0.605 55.783 55.300 -0.203 0.000 1.004 313 M CB 0.602 33.137 32.600 -0.109 0.000 1.461 313 M HN 0.698 nan 8.290 nan 0.000 0.514 314 A N -0.996 121.819 122.820 -0.009 0.000 2.588 314 A HA 0.677 4.996 4.320 -0.000 0.000 0.172 314 A C -0.921 176.727 177.584 0.108 0.000 1.149 314 A CA -0.032 52.039 52.037 0.055 0.000 1.987 314 A CB 0.515 19.512 19.000 -0.004 0.000 2.500 314 A HN 0.260 nan 8.150 nan 0.000 0.982 315 C N -0.571 118.733 119.300 0.006 0.000 0.515 315 C HA 0.207 4.667 4.460 -0.000 0.000 0.071 315 C C -0.568 174.351 174.990 -0.119 0.000 0.206 315 C CA -0.604 58.372 59.018 -0.069 0.000 0.871 315 C CB -2.000 25.719 27.740 -0.034 0.000 3.153 315 C HN 2.416 nan 8.230 nan 0.000 1.089 316 C N 8.405 127.643 119.300 -0.103 0.000 2.727 316 C HA 0.648 5.108 4.460 -0.000 0.000 0.369 316 C C -0.246 174.748 174.990 0.006 0.000 1.067 316 C CA -0.920 58.089 59.018 -0.015 0.000 1.273 316 C CB -0.230 27.535 27.740 0.042 0.000 1.778 316 C HN 1.046 nan 8.230 nan 0.000 0.467 317 L N 3.474 124.758 121.223 0.101 0.000 2.464 317 L HA 0.509 4.849 4.340 -0.000 0.000 0.264 317 L C -0.097 176.833 176.870 0.101 0.000 1.199 317 L CA -0.360 54.545 54.840 0.108 0.000 0.818 317 L CB 0.575 42.842 42.059 0.346 0.000 1.102 317 L HN 0.547 nan 8.230 nan 0.000 0.473 318 L N 2.843 124.051 121.223 -0.024 0.000 2.485 318 L HA 0.392 4.731 4.340 -0.000 0.000 0.260 318 L C -0.725 176.084 176.870 -0.101 0.000 0.998 318 L CA -0.268 54.564 54.840 -0.013 0.000 0.883 318 L CB 0.873 42.899 42.059 -0.055 0.000 1.196 318 L HN 0.366 nan 8.230 nan 0.000 0.443 319 Y N 2.628 122.901 120.300 -0.045 0.000 2.307 319 Y HA 0.631 5.181 4.550 -0.000 0.000 0.324 319 Y C 0.750 176.607 175.900 -0.071 0.000 1.238 319 Y CA -0.288 57.780 58.100 -0.053 0.000 1.280 319 Y CB 1.242 39.690 38.460 -0.019 0.000 1.248 319 Y HN 0.497 nan 8.280 nan 0.000 0.508 320 R N 0.064 120.600 120.500 0.060 0.000 2.740 320 R HA 0.630 4.970 4.340 -0.000 0.000 0.273 320 R C -0.883 175.454 176.300 0.063 0.000 0.998 320 R CA -0.309 55.810 56.100 0.032 0.000 0.900 320 R CB 1.934 32.233 30.300 -0.002 0.000 1.223 320 R HN 0.930 nan 8.270 nan 0.000 0.466 321 G N 4.036 112.882 108.800 0.077 0.000 2.694 321 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.247 321 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.247 321 G C -0.740 174.250 174.900 0.150 0.000 0.989 321 G CA 0.103 45.270 45.100 0.111 0.000 1.252 321 G HN 1.075 nan 8.290 nan 0.000 0.483 322 D N -1.715 118.833 120.400 0.246 0.000 7.839 322 D HA -0.058 4.582 4.640 -0.000 0.000 0.127 322 D C 0.119 176.580 176.300 0.268 0.000 1.013 322 D CA 1.226 55.477 54.000 0.419 0.000 0.897 322 D CB -0.320 40.635 40.800 0.258 0.000 1.630 322 D HN 1.067 nan 8.370 nan 0.000 0.925 323 V N 1.954 122.051 119.914 0.305 0.000 2.932 323 V HA 0.266 4.386 4.120 -0.000 0.000 0.307 323 V C 0.091 176.275 176.094 0.151 0.000 1.147 323 V CA -1.121 61.267 62.300 0.146 0.000 0.951 323 V CB 2.411 34.269 31.823 0.058 0.000 1.031 323 V HN 0.490 nan 8.190 nan 0.000 0.426 324 V N 5.252 125.201 119.914 0.058 0.000 2.364 324 V HA 0.258 4.377 4.120 -0.000 0.000 0.272 324 V C -1.442 174.631 176.094 -0.035 0.000 1.036 324 V CA -1.407 60.911 62.300 0.030 0.000 0.880 324 V CB 1.125 32.950 31.823 0.004 0.000 0.991 324 V HN 0.754 nan 8.190 nan 0.000 0.460 325 P HA -0.287 nan 4.420 nan 0.000 0.222 325 P C 1.728 178.973 177.300 -0.093 0.000 1.159 325 P CA 1.500 64.546 63.100 -0.090 0.000 0.920 325 P CB 0.152 31.820 31.700 -0.053 0.000 0.793 326 K N -0.823 119.540 120.400 -0.061 0.000 2.304 326 K HA -0.251 4.069 4.320 -0.000 0.000 0.204 326 K C 1.641 178.205 176.600 -0.061 0.000 1.044 326 K CA 1.779 58.032 56.287 -0.056 0.000 0.932 326 K CB -0.396 32.079 32.500 -0.040 0.000 0.735 326 K HN 0.153 nan 8.250 nan 0.000 0.468 327 D N -0.663 119.695 120.400 -0.070 0.000 2.388 327 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 327 D C 1.699 177.946 176.300 -0.089 0.000 1.035 327 D CA 0.212 54.175 54.000 -0.061 0.000 0.875 327 D CB 0.504 41.280 40.800 -0.040 0.000 0.984 327 D HN 0.010 nan 8.370 nan 0.000 0.508 328 V N 2.526 122.342 119.914 -0.164 0.000 2.216 328 V HA -0.322 3.798 4.120 -0.000 0.000 0.243 328 V C 2.107 178.131 176.094 -0.116 0.000 1.044 328 V CA 2.274 64.429 62.300 -0.242 0.000 0.995 328 V CB -1.007 30.545 31.823 -0.452 0.000 0.633 328 V HN 0.296 nan 8.190 nan 0.000 0.446 329 N N 2.209 120.833 118.700 -0.127 0.000 2.396 329 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 329 N C 1.448 176.896 175.510 -0.102 0.000 1.015 329 N CA 1.635 54.606 53.050 -0.132 0.000 0.893 329 N CB -0.760 37.642 38.487 -0.142 0.000 0.956 329 N HN 0.482 nan 8.380 nan 0.000 0.445 330 A N -0.219 122.559 122.820 -0.071 0.000 2.032 330 A HA 0.078 4.398 4.320 -0.000 0.000 0.221 330 A C 2.328 179.889 177.584 -0.039 0.000 1.165 330 A CA 1.914 53.921 52.037 -0.049 0.000 0.645 330 A CB -0.748 18.234 19.000 -0.030 0.000 0.807 330 A HN 0.565 nan 8.150 nan 0.000 0.453 331 A N -0.913 121.893 122.820 -0.023 0.000 1.984 331 A HA 0.323 4.643 4.320 -0.000 0.000 0.203 331 A C 1.790 179.330 177.584 -0.073 0.000 1.292 331 A CA 0.506 52.531 52.037 -0.020 0.000 0.782 331 A CB -0.231 18.803 19.000 0.056 0.000 0.924 331 A HN 0.340 nan 8.150 nan 0.000 0.475 332 I N 0.499 121.027 120.570 -0.069 0.000 2.623 332 I HA -0.313 3.856 4.170 -0.000 0.000 0.261 332 I C 2.534 178.511 176.117 -0.234 0.000 1.204 332 I CA 0.942 62.122 61.300 -0.199 0.000 1.444 332 I CB -0.225 37.523 38.000 -0.420 0.000 1.094 332 I HN 0.432 nan 8.210 nan 0.000 0.451 333 A N 1.064 123.789 122.820 -0.158 0.000 1.908 333 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 333 A C 2.430 179.953 177.584 -0.101 0.000 1.378 333 A CA 1.484 53.442 52.037 -0.131 0.000 0.613 333 A CB -1.291 17.647 19.000 -0.103 0.000 1.053 333 A HN 0.398 nan 8.150 nan 0.000 0.484 334 T N 0.998 115.504 114.554 -0.081 0.000 2.635 334 T HA -0.375 3.975 4.350 -0.000 0.000 0.265 334 T C 1.752 176.402 174.700 -0.083 0.000 1.058 334 T CA 2.800 64.859 62.100 -0.067 0.000 1.162 334 T CB -1.541 67.296 68.868 -0.052 0.000 0.859 334 T HN 0.914 nan 8.240 nan 0.000 0.449 335 I N 1.019 121.516 120.570 -0.121 0.000 2.076 335 I HA -0.078 4.092 4.170 -0.000 0.000 0.237 335 I C 2.502 178.566 176.117 -0.088 0.000 1.059 335 I CA 2.162 63.373 61.300 -0.148 0.000 1.317 335 I CB -0.765 37.063 38.000 -0.286 0.000 1.037 335 I HN 0.085 nan 8.210 nan 0.000 0.398 336 K N 1.195 121.551 120.400 -0.073 0.000 2.163 336 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 336 K C 1.936 178.509 176.600 -0.044 0.000 1.048 336 K CA 2.645 58.904 56.287 -0.047 0.000 0.928 336 K CB -1.187 31.264 32.500 -0.083 0.000 0.716 336 K HN 0.646 nan 8.250 nan 0.000 0.459 337 T N 0.832 115.354 114.554 -0.053 0.000 3.025 337 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 337 T C 0.145 174.825 174.700 -0.032 0.000 1.126 337 T CA 0.862 62.937 62.100 -0.041 0.000 1.105 337 T CB -0.076 68.767 68.868 -0.041 0.000 0.884 337 T HN 0.040 nan 8.240 nan 0.000 0.522 338 K N 2.274 122.653 120.400 -0.034 0.000 2.248 338 K HA 0.283 4.603 4.320 -0.000 0.000 0.281 338 K C 1.025 177.613 176.600 -0.019 0.000 1.054 338 K CA -0.520 55.751 56.287 -0.026 0.000 0.903 338 K CB 1.300 33.780 32.500 -0.033 0.000 1.077 338 K HN 0.179 nan 8.250 nan 0.000 0.474 339 R N 0.998 121.491 120.500 -0.012 0.000 2.211 339 R HA -0.161 4.179 4.340 -0.000 0.000 0.240 339 R C 0.901 177.197 176.300 -0.006 0.000 1.144 339 R CA 1.736 57.832 56.100 -0.007 0.000 0.992 339 R CB -1.496 28.802 30.300 -0.002 0.000 0.869 339 R HN 0.694 nan 8.270 nan 0.000 0.462 340 T N -1.940 112.607 114.554 -0.011 0.000 4.339 340 T HA 0.178 4.528 4.350 -0.000 0.000 0.431 340 T C 1.288 175.962 174.700 -0.044 0.000 1.117 340 T CA 0.226 62.316 62.100 -0.018 0.000 1.020 340 T CB -0.031 68.829 68.868 -0.014 0.000 1.522 340 T HN 0.161 nan 8.240 nan 0.000 0.494 341 I N -1.500 119.021 120.570 -0.082 0.000 4.901 341 I HA -0.358 3.812 4.170 -0.000 0.000 0.038 341 I C 0.174 176.143 176.117 -0.246 0.000 0.635 341 I CA 2.236 63.401 61.300 -0.224 0.000 0.242 341 I CB -1.946 35.943 38.000 -0.186 0.000 0.338 341 I HN 1.046 nan 8.210 nan 0.000 0.150 342 Q N -0.443 119.283 119.800 -0.122 0.000 3.224 342 Q HA -0.053 4.287 4.340 -0.000 0.000 0.027 342 Q C -0.843 175.112 176.000 -0.076 0.000 1.704 342 Q CA 1.245 57.050 55.803 0.002 0.000 0.244 342 Q CB -1.289 27.444 28.738 -0.009 0.000 0.584 342 Q HN 0.524 nan 8.270 nan 0.000 0.322 343 F N -0.076 119.781 119.950 -0.155 0.000 2.635 343 F HA 0.606 5.133 4.527 -0.000 0.000 0.362 343 F C 1.769 177.493 175.800 -0.128 0.000 1.182 343 F CA -0.682 57.231 58.000 -0.145 0.000 1.119 343 F CB 0.505 39.413 39.000 -0.154 0.000 1.713 343 F HN 0.335 nan 8.300 nan 0.000 0.512 344 V N -0.378 119.549 119.914 0.022 0.000 4.182 344 V HA 0.110 4.230 4.120 -0.000 0.000 0.169 344 V C 0.036 176.057 176.094 -0.123 0.000 1.250 344 V CA 0.477 62.697 62.300 -0.135 0.000 1.451 344 V CB 0.161 31.667 31.823 -0.529 0.000 1.621 344 V HN 0.761 nan 8.190 nan 0.000 0.423 345 D N -1.481 118.730 120.400 -0.314 0.000 2.887 345 D HA -0.031 4.609 4.640 -0.000 0.000 0.162 345 D C 1.583 177.810 176.300 -0.122 0.000 1.495 345 D CA 0.404 54.348 54.000 -0.093 0.000 1.531 345 D CB -0.584 40.304 40.800 0.147 0.000 1.459 345 D HN 0.582 nan 8.370 nan 0.000 0.256 346 W N 2.611 123.953 121.300 0.070 0.000 3.019 346 W HA 0.184 4.844 4.660 -0.000 0.000 0.284 346 W C -0.336 176.211 176.519 0.048 0.000 1.291 346 W CA -0.408 56.973 57.345 0.059 0.000 1.272 346 W CB -1.625 27.885 29.460 0.083 0.000 1.118 346 W HN -0.139 nan 8.180 nan 0.000 0.660 347 C N 2.293 121.497 119.300 -0.159 0.000 2.607 347 C HA 0.247 4.707 4.460 -0.000 0.000 0.350 347 C C -1.713 173.203 174.990 -0.124 0.000 1.101 347 C CA -1.520 57.422 59.018 -0.128 0.000 1.282 347 C CB 1.777 29.376 27.740 -0.235 0.000 1.825 347 C HN -0.077 nan 8.230 nan 0.000 0.460 348 P HA -0.014 nan 4.420 nan 0.000 0.248 348 P C 0.795 177.929 177.300 -0.276 0.000 1.254 348 P CA 0.800 63.816 63.100 -0.141 0.000 1.252 348 P CB -0.329 31.325 31.700 -0.078 0.000 1.465 349 T N 1.743 115.994 114.554 -0.504 0.000 2.572 349 T HA 0.085 4.435 4.350 -0.000 0.000 0.207 349 T C 0.889 174.951 174.700 -1.064 0.000 1.019 349 T CA 0.353 61.642 62.100 -1.352 0.000 3.827 349 T CB -1.083 67.073 68.868 -1.187 0.000 0.640 349 T HN 0.474 nan 8.240 nan 0.000 0.228 350 G N 0.836 109.353 108.800 -0.472 0.000 3.291 350 G HA2 0.717 4.677 3.960 -0.000 0.000 0.173 350 G HA3 0.717 4.677 3.960 -0.000 0.000 0.173 350 G C -1.043 174.270 174.900 0.689 0.000 1.099 350 G CA -0.885 44.260 45.100 0.075 0.000 0.794 350 G HN 0.357 nan 8.290 nan 0.000 0.651 351 F N -1.985 118.000 119.950 0.058 0.000 3.233 351 F HA 0.772 5.299 4.527 -0.000 0.000 0.324 351 F C 0.701 176.549 175.800 0.081 0.000 1.443 351 F CA -0.851 57.223 58.000 0.124 0.000 1.043 351 F CB 1.200 40.277 39.000 0.130 0.000 1.662 351 F HN 0.373 nan 8.300 nan 0.000 0.447 352 K N -0.485 120.105 120.400 0.316 0.000 2.541 352 K HA 0.233 4.553 4.320 -0.000 0.000 0.151 352 K C -1.694 174.996 176.600 0.151 0.000 1.459 352 K CA 0.194 56.577 56.287 0.160 0.000 1.096 352 K CB -0.347 32.212 32.500 0.097 0.000 1.331 352 K HN 0.171 nan 8.250 nan 0.000 0.480 353 V N 1.661 121.722 119.914 0.246 0.000 2.886 353 V HA 0.037 4.157 4.120 -0.000 0.000 0.294 353 V C 0.925 177.096 176.094 0.128 0.000 1.219 353 V CA 1.304 63.748 62.300 0.239 0.000 1.334 353 V CB -0.213 31.772 31.823 0.270 0.000 0.828 353 V HN 0.406 nan 8.190 nan 0.000 0.480 354 G N 5.014 113.889 108.800 0.124 0.000 2.513 354 G HA2 0.712 4.672 3.960 -0.000 0.000 0.317 354 G HA3 0.712 4.672 3.960 -0.000 0.000 0.317 354 G C -1.268 173.664 174.900 0.053 0.000 1.277 354 G CA -0.733 44.392 45.100 0.042 0.000 0.955 354 G HN 0.503 nan 8.290 nan 0.000 0.484 355 I N 1.773 122.313 120.570 -0.051 0.000 2.441 355 I HA 0.382 4.552 4.170 -0.000 0.000 0.295 355 I C -0.230 175.698 176.117 -0.315 0.000 0.994 355 I CA -1.118 60.113 61.300 -0.115 0.000 1.144 355 I CB 2.006 39.908 38.000 -0.163 0.000 1.314 355 I HN 0.304 nan 8.210 nan 0.000 0.445 356 N N 3.824 122.372 118.700 -0.253 0.000 2.342 356 N HA 0.245 4.985 4.740 -0.000 0.000 0.293 356 N C -0.039 175.295 175.510 -0.294 0.000 1.026 356 N CA -0.329 52.546 53.050 -0.292 0.000 0.857 356 N CB 1.565 40.030 38.487 -0.037 0.000 1.256 356 N HN 0.384 nan 8.380 nan 0.000 0.484 357 Y N 0.655 120.970 120.300 0.024 0.000 2.365 357 Y HA 0.082 4.632 4.550 -0.000 0.000 0.293 357 Y C 1.136 177.065 175.900 0.049 0.000 1.119 357 Y CA 0.096 58.211 58.100 0.024 0.000 1.203 357 Y CB -0.402 38.056 38.460 -0.004 0.000 1.026 357 Y HN 0.535 nan 8.280 nan 0.000 0.549 358 E N 4.162 124.463 120.200 0.168 0.000 2.765 358 E HA -0.082 4.268 4.350 -0.000 0.000 0.256 358 E C -2.360 174.329 176.600 0.149 0.000 0.935 358 E CA -1.322 55.187 56.400 0.182 0.000 0.954 358 E CB 0.385 30.260 29.700 0.291 0.000 0.908 358 E HN 0.060 nan 8.360 nan 0.000 0.500 359 P HA 0.108 nan 4.420 nan 0.000 0.274 359 P C -2.548 174.802 177.300 0.084 0.000 1.231 359 P CA -1.550 61.608 63.100 0.097 0.000 0.790 359 P CB 0.423 32.173 31.700 0.083 0.000 0.951 360 P HA 0.049 nan 4.420 nan 0.000 0.269 360 P C -0.283 177.048 177.300 0.052 0.000 1.252 360 P CA 0.318 63.458 63.100 0.066 0.000 0.780 360 P CB -0.323 31.417 31.700 0.067 0.000 0.829 361 T N 3.583 118.163 114.554 0.043 0.000 2.779 361 T HA 0.236 4.586 4.350 -0.000 0.000 0.296 361 T C 0.602 175.304 174.700 0.002 0.000 0.938 361 T CA -0.062 62.051 62.100 0.021 0.000 1.119 361 T CB 0.335 69.213 68.868 0.015 0.000 0.891 361 T HN 0.117 nan 8.240 nan 0.000 0.526 362 V N 4.072 123.981 119.914 -0.008 0.000 2.881 362 V HA 0.697 4.817 4.120 -0.000 0.000 0.316 362 V C 0.219 176.292 176.094 -0.036 0.000 1.070 362 V CA -0.873 61.409 62.300 -0.030 0.000 0.976 362 V CB 2.046 33.849 31.823 -0.034 0.000 1.038 362 V HN 0.793 nan 8.190 nan 0.000 0.446 363 V N 0.702 120.585 119.914 -0.051 0.000 3.019 363 V HA 0.664 4.784 4.120 -0.000 0.000 0.317 363 V C -2.715 173.351 176.094 -0.047 0.000 1.094 363 V CA -3.013 59.257 62.300 -0.050 0.000 1.000 363 V CB 1.394 33.177 31.823 -0.066 0.000 1.060 363 V HN 0.705 nan 8.190 nan 0.000 0.443 364 P HA 0.187 nan 4.420 nan 0.000 0.243 364 P C 1.085 178.364 177.300 -0.036 0.000 1.134 364 P CA 1.927 65.007 63.100 -0.033 0.000 1.109 364 P CB -0.131 31.551 31.700 -0.031 0.000 1.140 365 G N 3.175 111.954 108.800 -0.034 0.000 2.353 365 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.258 365 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.258 365 G C 1.381 176.253 174.900 -0.047 0.000 1.013 365 G CA 0.416 45.496 45.100 -0.034 0.000 0.622 365 G HN 0.583 nan 8.290 nan 0.000 0.535 366 G N -0.291 108.475 108.800 -0.056 0.000 2.394 366 G HA2 0.071 4.031 3.960 -0.000 0.000 0.215 366 G HA3 0.071 4.031 3.960 -0.000 0.000 0.215 366 G C 1.238 176.088 174.900 -0.083 0.000 1.165 366 G CA 1.655 46.713 45.100 -0.069 0.000 0.784 366 G HN 0.492 nan 8.290 nan 0.000 0.535 367 D N -0.180 120.170 120.400 -0.084 0.000 2.338 367 D HA 0.149 4.789 4.640 -0.000 0.000 0.208 367 D C 0.159 176.402 176.300 -0.095 0.000 0.997 367 D CA 0.002 53.943 54.000 -0.098 0.000 0.880 367 D CB 0.632 41.378 40.800 -0.091 0.000 0.980 367 D HN 0.045 nan 8.370 nan 0.000 0.509 368 L N 0.266 121.439 121.223 -0.084 0.000 2.827 368 L HA -0.149 4.191 4.340 -0.000 0.000 0.637 368 L C -0.163 176.621 176.870 -0.144 0.000 1.007 368 L CA 0.392 55.175 54.840 -0.095 0.000 1.336 368 L CB -2.029 39.978 42.059 -0.086 0.000 1.826 368 L HN 0.287 nan 8.230 nan 0.000 0.871 369 A N 1.698 124.424 122.820 -0.158 0.000 2.435 369 A HA -0.087 4.233 4.320 -0.000 0.000 0.686 369 A C 0.174 177.664 177.584 -0.158 0.000 0.138 369 A CA 0.817 52.706 52.037 -0.248 0.000 0.025 369 A CB -0.263 18.379 19.000 -0.596 0.000 3.974 369 A HN 0.584 nan 8.150 nan 0.000 0.548 370 K N 1.306 121.646 120.400 -0.100 0.000 2.156 370 K HA 0.614 4.934 4.320 -0.000 0.000 0.271 370 K C 0.109 176.698 176.600 -0.019 0.000 0.995 370 K CA -0.712 55.555 56.287 -0.034 0.000 0.890 370 K CB 1.827 34.329 32.500 0.004 0.000 1.073 370 K HN 0.565 nan 8.250 nan 0.000 0.454 371 V N 2.295 122.216 119.914 0.011 0.000 3.134 371 V HA 0.059 4.178 4.120 -0.000 0.000 0.313 371 V C 0.894 177.020 176.094 0.054 0.000 1.069 371 V CA -0.435 61.886 62.300 0.034 0.000 1.048 371 V CB 1.603 33.453 31.823 0.043 0.000 1.119 371 V HN 0.741 nan 8.190 nan 0.000 0.461 372 Q N 0.466 120.306 119.800 0.067 0.000 2.324 372 Q HA 0.182 4.522 4.340 -0.000 0.000 0.207 372 Q C 0.408 176.451 176.000 0.072 0.000 0.928 372 Q CA 0.864 56.709 55.803 0.071 0.000 0.890 372 Q CB 0.341 29.123 28.738 0.074 0.000 1.001 372 Q HN 0.731 nan 8.270 nan 0.000 0.517 373 R N -0.617 119.923 120.500 0.067 0.000 2.483 373 R HA 0.806 5.146 4.340 -0.000 0.000 0.303 373 R C -1.267 175.040 176.300 0.012 0.000 0.987 373 R CA -0.641 55.499 56.100 0.067 0.000 0.881 373 R CB 1.368 31.730 30.300 0.104 0.000 1.177 373 R HN -0.037 nan 8.270 nan 0.000 0.451 374 A N 2.956 125.761 122.820 -0.026 0.000 2.309 374 A HA 0.648 4.968 4.320 -0.000 0.000 0.298 374 A C -0.387 177.037 177.584 -0.267 0.000 1.165 374 A CA -0.663 51.274 52.037 -0.167 0.000 0.821 374 A CB 1.221 20.143 19.000 -0.129 0.000 1.102 374 A HN 0.508 nan 8.150 nan 0.000 0.500 375 V N 1.215 120.841 119.914 -0.481 0.000 2.655 375 V HA 0.511 4.631 4.120 -0.000 0.000 0.301 375 V C -0.752 174.979 176.094 -0.604 0.000 1.082 375 V CA -0.490 61.484 62.300 -0.542 0.000 0.899 375 V CB 1.298 32.802 31.823 -0.532 0.000 1.014 375 V HN 1.337 nan 8.190 nan 0.000 0.429 376 C N 8.092 127.106 119.300 -0.477 0.000 2.892 376 C HA 0.704 5.163 4.460 -0.000 0.000 0.360 376 C C -0.138 174.721 174.990 -0.219 0.000 1.054 376 C CA -0.656 58.163 59.018 -0.332 0.000 1.326 376 C CB 0.424 28.008 27.740 -0.259 0.000 1.806 376 C HN 1.071 nan 8.230 nan 0.000 0.490 377 M N 4.790 124.249 119.600 -0.235 0.000 2.336 377 M HA 0.787 5.267 4.480 -0.000 0.000 0.256 377 M C -1.493 174.751 176.300 -0.094 0.000 1.176 377 M CA -0.231 54.965 55.300 -0.173 0.000 0.948 377 M CB 1.106 33.551 32.600 -0.258 0.000 1.393 377 M HN 0.566 nan 8.290 nan 0.000 0.528 378 L N 1.882 123.069 121.223 -0.059 0.000 2.611 378 L HA 0.438 4.777 4.340 -0.000 0.000 0.263 378 L C -1.210 175.630 176.870 -0.050 0.000 0.969 378 L CA -0.399 54.450 54.840 0.014 0.000 0.894 378 L CB 2.047 44.207 42.059 0.167 0.000 1.229 378 L HN 1.005 nan 8.230 nan 0.000 0.416 379 S N 0.596 116.215 115.700 -0.135 0.000 2.536 379 S HA 0.583 5.053 4.470 -0.000 0.000 0.287 379 S C -0.781 173.646 174.600 -0.289 0.000 1.101 379 S CA -0.892 57.167 58.200 -0.236 0.000 0.950 379 S CB 2.052 65.013 63.200 -0.398 0.000 1.056 379 S HN 0.601 nan 8.310 nan 0.000 0.481 380 N N 1.261 119.802 118.700 -0.265 0.000 2.936 380 N HA 0.175 4.915 4.740 -0.000 0.000 0.243 380 N C -0.229 175.097 175.510 -0.306 0.000 1.149 380 N CA -0.354 52.555 53.050 -0.234 0.000 0.914 380 N CB 0.557 38.970 38.487 -0.122 0.000 1.179 380 N HN 0.794 nan 8.380 nan 0.000 0.502 381 T N -1.158 113.125 114.554 -0.451 0.000 2.901 381 T HA 0.064 4.414 4.350 -0.000 0.000 0.301 381 T C 1.284 175.856 174.700 -0.212 0.000 1.012 381 T CA -0.224 61.621 62.100 -0.425 0.000 1.135 381 T CB 0.422 68.960 68.868 -0.549 0.000 0.936 381 T HN 0.437 nan 8.240 nan 0.000 0.539 382 T N 0.025 114.506 114.554 -0.123 0.000 3.541 382 T HA 0.278 4.627 4.350 -0.000 0.000 0.255 382 T C 1.381 176.105 174.700 0.040 0.000 1.158 382 T CA 0.020 62.074 62.100 -0.078 0.000 1.000 382 T CB -0.639 68.227 68.868 -0.004 0.000 1.008 382 T HN 0.834 nan 8.240 nan 0.000 0.568 383 A N 0.347 123.171 122.820 0.008 0.000 2.288 383 A HA 0.483 4.803 4.320 -0.000 0.000 0.216 383 A C 1.853 179.470 177.584 0.055 0.000 1.199 383 A CA -0.315 51.759 52.037 0.062 0.000 0.891 383 A CB -0.299 18.719 19.000 0.031 0.000 0.923 383 A HN 0.589 nan 8.150 nan 0.000 0.500 384 I N -0.171 120.407 120.570 0.014 0.000 2.493 384 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 384 I C 2.464 178.633 176.117 0.087 0.000 1.160 384 I CA 1.111 62.405 61.300 -0.009 0.000 1.445 384 I CB -0.040 37.896 38.000 -0.106 0.000 1.086 384 I HN 0.346 nan 8.210 nan 0.000 0.433 385 A N 1.473 124.407 122.820 0.191 0.000 1.997 385 A HA -0.323 3.997 4.320 -0.000 0.000 0.221 385 A C 2.058 179.740 177.584 0.163 0.000 1.172 385 A CA 2.296 54.468 52.037 0.225 0.000 0.645 385 A CB -0.821 18.369 19.000 0.315 0.000 0.813 385 A HN 0.781 nan 8.150 nan 0.000 0.454 386 E N -0.024 120.251 120.200 0.125 0.000 1.998 386 E HA -0.033 4.316 4.350 -0.000 0.000 0.196 386 E C 1.902 178.545 176.600 0.071 0.000 1.003 386 E CA 1.066 57.517 56.400 0.084 0.000 0.829 386 E CB -0.635 29.122 29.700 0.095 0.000 0.777 386 E HN 0.415 nan 8.360 nan 0.000 0.460 387 A N -0.710 122.148 122.820 0.063 0.000 2.277 387 A HA -0.090 4.230 4.320 -0.000 0.000 0.208 387 A C 1.298 178.932 177.584 0.085 0.000 1.202 387 A CA 0.805 52.865 52.037 0.037 0.000 0.762 387 A CB -0.937 18.043 19.000 -0.034 0.000 0.770 387 A HN 0.670 nan 8.150 nan 0.000 0.487 388 W N -1.470 119.763 121.300 -0.112 0.000 3.058 388 W HA 0.472 5.131 4.660 -0.000 0.000 0.306 388 W C 1.638 178.085 176.519 -0.119 0.000 1.188 388 W CA 0.262 57.531 57.345 -0.127 0.000 1.651 388 W CB 0.380 29.679 29.460 -0.268 0.000 1.051 388 W HN 0.241 nan 8.180 nan 0.000 0.592 389 A N 0.151 122.895 122.820 -0.126 0.000 2.324 389 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 389 A C 1.921 179.417 177.584 -0.146 0.000 1.209 389 A CA 0.224 52.120 52.037 -0.234 0.000 0.918 389 A CB -0.298 18.617 19.000 -0.143 0.000 0.959 389 A HN 0.266 nan 8.150 nan 0.000 0.507 390 R N -0.352 120.112 120.500 -0.060 0.000 2.148 390 R HA 0.004 4.344 4.340 -0.000 0.000 0.227 390 R C 1.456 177.749 176.300 -0.011 0.000 1.103 390 R CA 1.414 57.517 56.100 0.006 0.000 0.983 390 R CB -0.676 29.645 30.300 0.036 0.000 0.874 390 R HN 0.335 nan 8.270 nan 0.000 0.451 391 L N 1.716 122.878 121.223 -0.101 0.000 2.610 391 L HA 0.016 4.356 4.340 -0.000 0.000 0.232 391 L C 1.013 177.702 176.870 -0.302 0.000 1.149 391 L CA 1.546 56.259 54.840 -0.211 0.000 0.872 391 L CB -0.037 41.845 42.059 -0.295 0.000 0.992 391 L HN 0.134 nan 8.230 nan 0.000 0.447 392 D N -2.498 117.743 120.400 -0.266 0.000 2.366 392 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 392 D C 1.973 178.218 176.300 -0.091 0.000 1.022 392 D CA 0.551 54.361 54.000 -0.316 0.000 0.868 392 D CB 0.180 40.761 40.800 -0.365 0.000 0.953 392 D HN 0.535 nan 8.370 nan 0.000 0.514 393 H N 1.082 120.086 119.070 -0.110 0.000 2.317 393 H HA 0.161 4.717 4.556 -0.000 0.000 0.304 393 H C 0.532 175.859 175.328 -0.003 0.000 1.067 393 H CA 1.278 57.303 56.048 -0.039 0.000 1.352 393 H CB 0.093 29.829 29.762 -0.042 0.000 1.398 393 H HN -0.136 nan 8.280 nan 0.000 0.510 394 K N -0.206 120.045 120.400 -0.248 0.000 3.277 394 K HA 0.034 4.353 4.320 -0.000 0.000 0.291 394 K C -0.446 176.063 176.600 -0.153 0.000 0.994 394 K CA 0.248 56.357 56.287 -0.296 0.000 1.147 394 K CB -0.172 32.206 32.500 -0.203 0.000 1.185 394 K HN 0.354 nan 8.250 nan 0.000 0.422 395 F N -0.507 119.272 119.950 -0.285 0.000 1.853 395 F HA 0.036 4.562 4.527 -0.000 0.000 0.305 395 F C 0.470 176.217 175.800 -0.090 0.000 1.060 395 F CA -0.019 57.830 58.000 -0.252 0.000 1.226 395 F CB 0.355 39.137 39.000 -0.364 0.000 1.600 395 F HN -0.082 nan 8.300 nan 0.000 0.480 396 D N 1.990 122.652 120.400 0.436 0.000 2.309 396 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 396 D C 2.281 178.663 176.300 0.137 0.000 0.968 396 D CA 1.047 55.235 54.000 0.314 0.000 0.882 396 D CB -0.068 40.837 40.800 0.175 0.000 0.918 396 D HN 0.337 nan 8.370 nan 0.000 0.503 397 L N 0.375 121.621 121.223 0.037 0.000 1.938 397 L HA -0.158 4.181 4.340 -0.000 0.000 0.212 397 L C 2.572 179.439 176.870 -0.005 0.000 1.085 397 L CA 1.241 56.058 54.840 -0.039 0.000 0.760 397 L CB -0.327 41.601 42.059 -0.218 0.000 0.888 397 L HN 0.062 nan 8.230 nan 0.000 0.433 398 M N -1.732 117.864 119.600 -0.007 0.000 2.102 398 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 398 M C 1.956 178.259 176.300 0.005 0.000 1.083 398 M CA 1.679 56.998 55.300 0.031 0.000 1.141 398 M CB -1.314 31.338 32.600 0.087 0.000 1.318 398 M HN 0.006 nan 8.290 nan 0.000 0.421 399 Y N 1.730 121.846 120.300 -0.307 0.000 2.888 399 Y HA 0.026 4.575 4.550 -0.000 0.000 0.323 399 Y C 1.947 177.703 175.900 -0.241 0.000 1.189 399 Y CA 0.869 58.716 58.100 -0.422 0.000 1.379 399 Y CB -1.252 36.513 38.460 -1.158 0.000 1.012 399 Y HN 0.486 nan 8.280 nan 0.000 0.529 400 A N -1.693 121.120 122.820 -0.011 0.000 2.295 400 A HA 0.220 4.540 4.320 -0.000 0.000 0.193 400 A C 1.575 179.157 177.584 -0.003 0.000 1.512 400 A CA -0.146 51.907 52.037 0.027 0.000 1.103 400 A CB 0.574 19.624 19.000 0.083 0.000 1.331 400 A HN -0.013 nan 8.150 nan 0.000 0.501 401 K N 0.489 120.880 120.400 -0.014 0.000 2.455 401 K HA 0.214 4.533 4.320 -0.000 0.000 0.206 401 K C 0.729 177.309 176.600 -0.033 0.000 1.027 401 K CA 0.596 56.873 56.287 -0.016 0.000 1.113 401 K CB 0.780 33.281 32.500 0.001 0.000 0.850 401 K HN 0.759 nan 8.250 nan 0.000 0.503 402 R N -1.928 118.533 120.500 -0.065 0.000 1.490 402 R HA -0.111 4.228 4.340 -0.000 0.000 0.025 402 R C 0.036 176.269 176.300 -0.112 0.000 0.911 402 R CA 0.405 56.459 56.100 -0.076 0.000 2.663 402 R CB -1.371 28.903 30.300 -0.043 0.000 0.456 402 R HN 0.050 nan 8.270 nan 0.000 0.677 403 A N 0.922 123.706 122.820 -0.060 0.000 6.121 403 A HA -0.174 4.146 4.320 -0.000 0.000 0.424 403 A C 0.389 178.025 177.584 0.087 0.000 2.043 403 A CA 1.050 53.072 52.037 -0.025 0.000 1.677 403 A CB -1.340 17.396 19.000 -0.441 0.000 1.203 403 A HN 0.602 nan 8.150 nan 0.000 0.561 404 F N 0.469 120.306 119.950 -0.188 0.000 2.699 404 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 404 F C 2.079 177.879 175.800 0.000 0.000 1.316 404 F CA 0.534 58.559 58.000 0.042 0.000 1.452 404 F CB -1.504 37.562 39.000 0.110 0.000 1.098 404 F HN 0.587 nan 8.300 nan 0.000 0.543 405 V N 1.284 121.194 119.914 -0.008 0.000 2.688 405 V HA -0.264 3.855 4.120 -0.000 0.000 0.256 405 V C 2.660 178.794 176.094 0.067 0.000 1.084 405 V CA 2.330 64.611 62.300 -0.033 0.000 1.103 405 V CB -0.644 30.960 31.823 -0.366 0.000 0.688 405 V HN 0.635 nan 8.190 nan 0.000 0.480 406 H N -3.359 115.684 119.070 -0.044 0.000 2.555 406 H HA -0.097 4.458 4.556 -0.000 0.000 0.269 406 H C 1.715 176.933 175.328 -0.183 0.000 0.988 406 H CA 1.009 56.968 56.048 -0.148 0.000 1.178 406 H CB -0.625 28.979 29.762 -0.263 0.000 1.373 406 H HN 0.630 nan 8.280 nan 0.000 0.588 407 W N 0.646 121.630 121.300 -0.527 0.000 2.539 407 W HA 0.079 4.738 4.660 -0.001 0.000 0.281 407 W C 1.110 177.518 176.519 -0.185 0.000 1.220 407 W CA 0.004 57.085 57.345 -0.440 0.000 1.332 407 W CB -0.435 28.711 29.460 -0.523 0.000 1.095 407 W HN 0.038 nan 8.180 nan 0.000 0.571 408 Y N 0.315 120.815 120.300 0.333 0.000 2.572 408 Y HA 0.038 4.588 4.550 -0.000 0.000 0.340 408 Y C 1.286 177.334 175.900 0.247 0.000 1.224 408 Y CA 0.118 58.454 58.100 0.394 0.000 1.260 408 Y CB -0.899 37.969 38.460 0.679 0.000 1.078 408 Y HN -0.171 nan 8.280 nan 0.000 0.491 409 V N -2.749 117.281 119.914 0.192 0.000 3.442 409 V HA 0.173 4.293 4.120 -0.000 0.000 0.205 409 V C 2.142 178.244 176.094 0.014 0.000 1.320 409 V CA 0.609 62.956 62.300 0.077 0.000 1.306 409 V CB -0.748 31.086 31.823 0.020 0.000 1.267 409 V HN 0.236 nan 8.190 nan 0.000 0.538 410 G N 0.143 108.915 108.800 -0.047 0.000 2.959 410 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.203 410 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.203 410 G C 0.727 175.619 174.900 -0.015 0.000 1.176 410 G CA 0.740 45.793 45.100 -0.078 0.000 0.860 410 G HN 0.354 nan 8.290 nan 0.000 0.507 411 E N -0.493 119.735 120.200 0.047 0.000 2.948 411 E HA 0.305 4.654 4.350 -0.000 0.000 0.186 411 E C 0.497 177.148 176.600 0.086 0.000 0.951 411 E CA 0.458 56.914 56.400 0.093 0.000 1.308 411 E CB 0.733 30.536 29.700 0.171 0.000 1.037 411 E HN 0.396 nan 8.360 nan 0.000 0.469 412 G N 0.710 109.526 108.800 0.026 0.000 2.359 412 G HA2 0.176 4.136 3.960 -0.000 0.000 0.293 412 G HA3 0.176 4.136 3.960 -0.000 0.000 0.293 412 G C -0.404 174.426 174.900 -0.117 0.000 1.300 412 G CA -0.557 44.494 45.100 -0.082 0.000 0.888 412 G HN -0.021 nan 8.290 nan 0.000 0.541 413 M N 0.004 119.424 119.600 -0.300 0.000 2.267 413 M HA 0.850 5.330 4.480 -0.000 0.000 0.303 413 M C 0.464 176.749 176.300 -0.024 0.000 1.164 413 M CA -0.156 55.041 55.300 -0.172 0.000 1.060 413 M CB 0.630 33.104 32.600 -0.210 0.000 1.455 413 M HN 1.204 nan 8.290 nan 0.000 0.483 414 E N -0.108 120.125 120.200 0.055 0.000 0.364 414 E HA 0.003 4.353 4.350 -0.000 0.000 0.133 414 E C -0.705 175.936 176.600 0.068 0.000 2.523 414 E CA 0.119 56.617 56.400 0.163 0.000 1.492 414 E CB -0.276 29.601 29.700 0.295 0.000 0.443 414 E HN 0.834 nan 8.360 nan 0.000 0.899 415 E N 0.955 121.136 120.200 -0.032 0.000 2.358 415 E HA -0.186 4.164 4.350 -0.000 0.000 0.246 415 E C 0.353 176.925 176.600 -0.046 0.000 1.127 415 E CA 1.376 57.707 56.400 -0.115 0.000 0.726 415 E CB -1.845 27.816 29.700 -0.066 0.000 1.272 415 E HN 1.219 nan 8.360 nan 0.000 0.390 416 G N 0.299 109.109 108.800 0.017 0.000 2.789 416 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 416 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 416 G C 0.244 175.298 174.900 0.256 0.000 0.980 416 G CA 0.251 45.422 45.100 0.118 0.000 0.848 416 G HN 0.299 nan 8.290 nan 0.000 0.591 417 E N -0.463 120.001 120.200 0.441 0.000 2.268 417 E HA 0.119 4.468 4.350 -0.000 0.000 0.195 417 E C 0.657 177.563 176.600 0.509 0.000 0.995 417 E CA 0.315 57.019 56.400 0.505 0.000 0.836 417 E CB 0.014 30.143 29.700 0.715 0.000 0.763 417 E HN 0.618 nan 8.360 nan 0.000 0.491 418 F N -1.449 118.549 119.950 0.080 0.000 2.561 418 F HA 0.277 4.804 4.527 -0.000 0.000 0.384 418 F C 1.924 177.788 175.800 0.107 0.000 1.131 418 F CA -1.162 56.915 58.000 0.128 0.000 1.133 418 F CB 0.395 39.508 39.000 0.188 0.000 1.506 418 F HN -0.187 nan 8.300 nan 0.000 0.499 419 S N 0.209 116.126 115.700 0.361 0.000 4.158 419 S HA -0.384 4.086 4.470 -0.000 0.000 0.537 419 S C 1.822 176.492 174.600 0.116 0.000 1.791 419 S CA 1.825 60.142 58.200 0.194 0.000 4.169 419 S CB -1.479 61.810 63.200 0.148 0.000 0.780 419 S HN 0.872 nan 8.310 nan 0.000 0.454 420 E N 1.817 122.086 120.200 0.114 0.000 2.164 420 E HA -0.240 4.110 4.350 -0.000 0.000 0.206 420 E C 1.067 177.699 176.600 0.052 0.000 1.032 420 E CA 1.754 58.201 56.400 0.078 0.000 0.832 420 E CB -0.353 29.402 29.700 0.091 0.000 0.742 420 E HN 0.709 nan 8.360 nan 0.000 0.460 421 A N 0.803 123.654 122.820 0.052 0.000 3.264 421 A HA 0.251 4.571 4.320 -0.000 0.000 0.299 421 A C 1.137 178.672 177.584 -0.082 0.000 1.272 421 A CA -0.086 51.942 52.037 -0.015 0.000 1.030 421 A CB -0.193 18.779 19.000 -0.047 0.000 1.102 421 A HN 0.333 nan 8.150 nan 0.000 0.615 422 R N -1.340 119.115 120.500 -0.074 0.000 2.676 422 R HA 0.185 4.525 4.340 -0.000 0.000 0.241 422 R C 1.067 177.286 176.300 -0.135 0.000 0.964 422 R CA 0.411 56.408 56.100 -0.172 0.000 1.054 422 R CB -0.182 30.061 30.300 -0.095 0.000 1.603 422 R HN 0.301 nan 8.270 nan 0.000 0.577 423 E N 1.659 121.821 120.200 -0.063 0.000 2.028 423 E HA -0.179 4.170 4.350 -0.000 0.000 0.190 423 E C 0.589 177.159 176.600 -0.050 0.000 0.984 423 E CA 1.682 58.055 56.400 -0.046 0.000 0.800 423 E CB -0.024 29.668 29.700 -0.012 0.000 0.758 423 E HN 0.220 nan 8.360 nan 0.000 0.448 424 D N -0.145 120.236 120.400 -0.032 0.000 2.144 424 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 424 D C 1.594 177.874 176.300 -0.033 0.000 0.984 424 D CA 0.700 54.693 54.000 -0.012 0.000 0.834 424 D CB -0.020 40.790 40.800 0.017 0.000 0.955 424 D HN 0.137 nan 8.370 nan 0.000 0.465 425 M N -0.411 119.135 119.600 -0.090 0.000 2.628 425 M HA 0.188 4.668 4.480 -0.000 0.000 0.232 425 M C 1.091 177.247 176.300 -0.240 0.000 1.128 425 M CA 0.142 55.340 55.300 -0.169 0.000 1.040 425 M CB -0.278 32.153 32.600 -0.282 0.000 1.608 425 M HN 0.053 nan 8.290 nan 0.000 0.507 426 A N -1.356 121.369 122.820 -0.159 0.000 1.988 426 A HA 0.421 4.741 4.320 -0.000 0.000 0.198 426 A C 1.959 179.489 177.584 -0.091 0.000 1.507 426 A CA 0.690 52.637 52.037 -0.150 0.000 0.901 426 A CB -0.660 18.268 19.000 -0.120 0.000 1.007 426 A HN 0.364 nan 8.150 nan 0.000 0.502 427 A N -0.103 122.683 122.820 -0.057 0.000 2.245 427 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 427 A C 1.957 179.527 177.584 -0.023 0.000 1.171 427 A CA 1.303 53.325 52.037 -0.025 0.000 0.688 427 A CB -0.632 18.363 19.000 -0.007 0.000 0.781 427 A HN 0.483 nan 8.150 nan 0.000 0.479 428 L N -1.153 120.038 121.223 -0.053 0.000 1.988 428 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 428 L C 2.459 179.220 176.870 -0.181 0.000 1.071 428 L CA 1.870 56.642 54.840 -0.115 0.000 0.744 428 L CB -0.242 41.818 42.059 0.001 0.000 0.893 428 L HN 0.497 nan 8.230 nan 0.000 0.433 429 E N -0.743 119.384 120.200 -0.121 0.000 2.472 429 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 429 E C 1.790 178.411 176.600 0.035 0.000 1.046 429 E CA 0.377 56.755 56.400 -0.036 0.000 0.871 429 E CB 0.297 29.978 29.700 -0.031 0.000 0.806 429 E HN 0.139 nan 8.360 nan 0.000 0.533 430 K N 0.875 121.283 120.400 0.012 0.000 2.005 430 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 430 K C 1.290 177.933 176.600 0.073 0.000 1.044 430 K CA 1.851 58.156 56.287 0.030 0.000 0.942 430 K CB -0.124 32.380 32.500 0.006 0.000 0.727 430 K HN -0.002 nan 8.250 nan 0.000 0.439 431 D N -0.690 119.767 120.400 0.094 0.000 2.104 431 D HA -0.166 4.473 4.640 -0.000 0.000 0.194 431 D C 1.256 177.723 176.300 0.278 0.000 0.994 431 D CA 1.178 55.269 54.000 0.150 0.000 0.830 431 D CB -0.247 40.669 40.800 0.193 0.000 0.959 431 D HN 0.203 nan 8.370 nan 0.000 0.452 432 Y N 0.629 120.952 120.300 0.039 0.000 2.736 432 Y HA -0.065 4.485 4.550 -0.000 0.000 0.298 432 Y C 1.649 177.597 175.900 0.081 0.000 1.156 432 Y CA 0.585 58.728 58.100 0.073 0.000 1.384 432 Y CB -0.012 38.466 38.460 0.030 0.000 0.976 432 Y HN 0.004 nan 8.280 nan 0.000 0.556 433 E N -1.532 118.780 120.200 0.187 0.000 2.541 433 E HA 0.015 4.364 4.350 -0.000 0.000 0.219 433 E C 1.074 177.723 176.600 0.082 0.000 0.922 433 E CA 0.138 56.612 56.400 0.122 0.000 1.095 433 E CB 0.370 30.126 29.700 0.094 0.000 1.112 433 E HN 0.198 nan 8.360 nan 0.000 0.516 434 E N 0.618 120.850 120.200 0.053 0.000 2.463 434 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 434 E C 0.687 177.254 176.600 -0.054 0.000 1.083 434 E CA 0.076 56.463 56.400 -0.022 0.000 0.872 434 E CB 0.100 29.755 29.700 -0.076 0.000 0.966 434 E HN 0.042 nan 8.360 nan 0.000 0.491 435 V N -5.149 114.806 119.914 0.068 0.000 3.187 435 V HA 0.633 4.753 4.120 -0.000 0.000 0.402 435 V C 0.677 176.945 176.094 0.290 0.000 1.457 435 V CA 0.136 62.573 62.300 0.230 0.000 1.409 435 V CB 0.697 32.713 31.823 0.320 0.000 1.218 435 V HN 0.036 nan 8.190 nan 0.000 0.595 436 G N -0.377 108.536 108.800 0.188 0.000 3.293 436 G HA2 0.149 4.109 3.960 -0.000 0.000 0.157 436 G HA3 0.149 4.109 3.960 -0.000 0.000 0.157 436 G C 0.521 175.493 174.900 0.119 0.000 1.298 436 G CA 0.868 46.063 45.100 0.157 0.000 0.831 436 G HN 0.280 nan 8.290 nan 0.000 0.902 437 V N 0.786 120.760 119.914 0.100 0.000 3.052 437 V HA 0.213 4.333 4.120 -0.000 0.000 0.254 437 V C 0.533 176.672 176.094 0.074 0.000 1.100 437 V CA 1.103 63.449 62.300 0.076 0.000 1.112 437 V CB 0.207 32.065 31.823 0.057 0.000 0.738 437 V HN 0.219 nan 8.190 nan 0.000 0.469 438 D N -1.097 119.357 120.400 0.089 0.000 2.559 438 D HA 0.262 4.902 4.640 -0.000 0.000 0.250 438 D C 0.160 176.531 176.300 0.119 0.000 1.135 438 D CA -0.001 54.050 54.000 0.085 0.000 0.955 438 D CB 2.258 43.093 40.800 0.058 0.000 1.442 438 D HN 0.095 nan 8.370 nan 0.000 0.471 439 S N -0.422 115.339 115.700 0.102 0.000 2.881 439 S HA 0.112 4.582 4.470 -0.000 0.000 0.228 439 S C 0.897 175.583 174.600 0.144 0.000 0.965 439 S CA -0.357 57.915 58.200 0.121 0.000 0.998 439 S CB -0.432 62.819 63.200 0.085 0.000 0.795 439 S HN 0.188 nan 8.310 nan 0.000 0.518 440 V N 0.000 119.998 119.914 0.140 0.000 2.409 440 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 440 V CA 0.000 62.360 62.300 0.100 0.000 1.235 440 V CB 0.000 31.827 31.823 0.006 0.000 1.184 440 V HN 0.000 nan 8.190 nan 0.000 0.556