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 1pvn_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKYYNEPCHT FNEYLLIPGL STVDCIPSNV NLSTPLVKFQ KGQQSEINLK DATA SEQUENCE IPLVSAIMQS VSGEKMAIAL AREGGISFIF GSQSIESQAA MVHAVKNFXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXR YLVGAGINTR DFRERVPALV DATA SEQUENCE EAGADVLCID SSDGFSEWQK ITIGWIREKY GDKVKVGAGN IVDGEGFRYL DATA SEQUENCE ADAGADFIKI GIGGGSICIT REQKGIGRGQ ATAVIDVVAE RNKYFEETGI DATA SEQUENCE YIPVCSDGGI VYDYHMTLAL AMGADFIMLG RYFARFEESP TRKVTINGSV DATA SEQUENCE MKEYWGEGSS RARNWQRYDL GGKQKLSFEE GVDSYVPYAG KLKDNVEASL DATA SEQUENCE NKVKSTMCNC GALTIPQLQS KAKITLVSSV SIVEGGAHDV IVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.449 177.584 -0.226 0.000 1.274 2 A CA 0.000 51.943 52.037 -0.156 0.000 0.836 2 A CB 0.000 18.847 19.000 -0.255 0.000 0.831 3 K N 0.724 120.905 120.400 -0.364 0.000 2.182 3 K HA 0.709 5.030 4.320 0.001 0.000 0.262 3 K C -1.647 174.598 176.600 -0.593 0.000 0.957 3 K CA -0.300 55.781 56.287 -0.344 0.000 0.842 3 K CB 0.868 33.201 32.500 -0.277 0.000 1.099 3 K HN 0.624 nan 8.250 nan 0.000 0.438 4 Y N 1.375 121.542 120.300 -0.222 0.000 2.659 4 Y HA 0.412 4.962 4.550 0.001 0.000 0.333 4 Y C -0.769 174.909 175.900 -0.370 0.000 1.064 4 Y CA -0.701 57.310 58.100 -0.148 0.000 1.141 4 Y CB 1.256 39.700 38.460 -0.027 0.000 1.316 4 Y HN 0.426 nan 8.280 nan 0.000 0.509 5 Y N -0.464 119.941 120.300 0.175 0.000 2.562 5 Y HA 0.324 4.875 4.550 0.001 0.000 0.343 5 Y C 0.750 176.700 175.900 0.083 0.000 1.025 5 Y CA -1.250 56.907 58.100 0.095 0.000 1.082 5 Y CB 1.066 39.560 38.460 0.057 0.000 1.264 5 Y HN 0.525 nan 8.280 nan 0.000 0.478 6 N N 0.488 119.310 118.700 0.204 0.000 2.331 6 N HA -0.056 4.685 4.740 0.001 0.000 0.180 6 N C -0.334 175.248 175.510 0.121 0.000 1.019 6 N CA 0.972 54.098 53.050 0.128 0.000 0.881 6 N CB 0.301 38.846 38.487 0.097 0.000 0.972 6 N HN 0.631 nan 8.380 nan 0.000 0.435 7 E N 0.144 120.430 120.200 0.144 0.000 2.343 7 E HA 0.397 4.748 4.350 0.001 0.000 0.270 7 E C -2.297 174.330 176.600 0.044 0.000 0.895 7 E CA -1.588 54.874 56.400 0.104 0.000 0.767 7 E CB 2.164 31.943 29.700 0.131 0.000 1.248 7 E HN 0.021 nan 8.360 nan 0.000 0.440 8 P HA 0.231 nan 4.420 nan 0.000 0.276 8 P C 0.034 177.115 177.300 -0.366 0.000 1.252 8 P CA -0.453 62.544 63.100 -0.172 0.000 0.802 8 P CB 0.505 32.093 31.700 -0.188 0.000 1.035 9 C N 0.820 119.913 119.300 -0.345 0.000 2.534 9 C HA 0.602 5.063 4.460 0.001 0.000 0.385 9 C C 0.235 174.929 174.990 -0.493 0.000 1.264 9 C CA -0.382 58.443 59.018 -0.321 0.000 2.342 9 C CB -0.980 26.632 27.740 -0.214 0.000 2.564 9 C HN 0.624 nan 8.230 nan 0.000 0.603 10 H N -1.023 118.040 119.070 -0.012 0.000 2.907 10 H HA 0.805 5.361 4.556 0.001 0.000 0.361 10 H C 0.077 175.417 175.328 0.021 0.000 1.194 10 H CA -0.237 55.820 56.048 0.015 0.000 1.152 10 H CB 1.873 31.653 29.762 0.029 0.000 1.867 10 H HN 0.939 nan 8.280 nan 0.000 0.561 11 T N -0.803 113.853 114.554 0.169 0.000 2.804 11 T HA 0.242 4.592 4.350 0.001 0.000 0.290 11 T C 0.750 175.504 174.700 0.090 0.000 1.099 11 T CA -0.674 61.379 62.100 -0.079 0.000 1.011 11 T CB 0.460 69.181 68.868 -0.246 0.000 1.291 11 T HN 0.498 nan 8.240 nan 0.000 0.523 12 F N 1.086 121.019 119.950 -0.027 0.000 2.063 12 F HA -0.280 4.247 4.527 0.001 0.000 0.296 12 F C 2.448 178.269 175.800 0.035 0.000 1.093 12 F CA 2.027 59.904 58.000 -0.204 0.000 1.229 12 F CB -0.427 37.990 39.000 -0.970 0.000 0.971 12 F HN 0.598 nan 8.300 nan 0.000 0.491 13 N N -0.252 118.605 118.700 0.261 0.000 2.430 13 N HA -0.167 4.573 4.740 0.001 0.000 0.186 13 N C 1.020 176.721 175.510 0.318 0.000 1.032 13 N CA 0.796 54.101 53.050 0.424 0.000 0.893 13 N CB -0.188 38.517 38.487 0.363 0.000 0.957 13 N HN 0.497 nan 8.380 nan 0.000 0.442 14 E N -0.702 119.632 120.200 0.223 0.000 2.479 14 E HA 0.008 4.359 4.350 0.001 0.000 0.193 14 E C -0.641 175.859 176.600 -0.166 0.000 1.049 14 E CA 0.224 56.614 56.400 -0.017 0.000 0.870 14 E CB 0.333 29.922 29.700 -0.186 0.000 0.944 14 E HN 0.357 nan 8.360 nan 0.000 0.492 15 Y N -0.017 120.377 120.300 0.157 0.000 2.549 15 Y HA 0.567 5.117 4.550 0.001 0.000 0.339 15 Y C -0.076 175.929 175.900 0.175 0.000 1.053 15 Y CA -0.919 57.263 58.100 0.137 0.000 1.105 15 Y CB 1.489 40.035 38.460 0.142 0.000 1.258 15 Y HN -0.199 nan 8.280 nan 0.000 0.478 16 L N 2.143 123.533 121.223 0.278 0.000 2.465 16 L HA 0.512 4.853 4.340 0.001 0.000 0.257 16 L C -1.381 175.572 176.870 0.138 0.000 0.988 16 L CA -0.861 54.075 54.840 0.161 0.000 0.827 16 L CB 2.604 44.699 42.059 0.061 0.000 1.397 16 L HN 0.436 nan 8.230 nan 0.000 0.410 17 L N 2.789 124.069 121.223 0.095 0.000 2.307 17 L HA 0.504 4.844 4.340 0.001 0.000 0.282 17 L C -0.503 176.392 176.870 0.041 0.000 1.051 17 L CA -0.395 54.488 54.840 0.072 0.000 0.804 17 L CB 1.668 43.764 42.059 0.062 0.000 1.197 17 L HN 0.399 nan 8.230 nan 0.000 0.431 18 I N 4.628 125.220 120.570 0.037 0.000 2.312 18 I HA 0.262 4.432 4.170 0.001 0.000 0.290 18 I C -2.010 174.118 176.117 0.019 0.000 1.008 18 I CA -1.906 59.407 61.300 0.023 0.000 1.226 18 I CB 1.380 39.394 38.000 0.023 0.000 1.371 18 I HN 0.299 nan 8.210 nan 0.000 0.468 19 P HA 0.030 nan 4.420 nan 0.000 0.265 19 P C 0.189 177.495 177.300 0.010 0.000 1.187 19 P CA 0.081 63.187 63.100 0.009 0.000 0.766 19 P CB 0.673 32.375 31.700 0.004 0.000 0.820 20 G N 1.652 110.458 108.800 0.010 0.000 2.828 20 G HA2 0.480 4.440 3.960 0.001 0.000 0.244 20 G HA3 0.480 4.440 3.960 0.001 0.000 0.244 20 G C -1.050 173.854 174.900 0.007 0.000 1.365 20 G CA -0.614 44.491 45.100 0.009 0.000 1.041 20 G HN 0.519 nan 8.290 nan 0.000 0.560 21 L N 0.642 121.869 121.223 0.007 0.000 2.410 21 L HA 0.483 4.824 4.340 0.001 0.000 0.273 21 L C 0.160 177.032 176.870 0.004 0.000 1.144 21 L CA 0.024 54.867 54.840 0.005 0.000 0.863 21 L CB 0.934 42.996 42.059 0.005 0.000 1.140 21 L HN 0.195 nan 8.230 nan 0.000 0.463 22 S N 3.196 118.897 115.700 0.003 0.000 2.422 22 S HA 0.489 4.959 4.470 0.001 0.000 0.308 22 S C 0.060 174.661 174.600 0.002 0.000 1.097 22 S CA -0.481 57.721 58.200 0.002 0.000 1.099 22 S CB 0.765 63.966 63.200 0.001 0.000 0.976 22 S HN 0.855 nan 8.310 nan 0.000 0.471 23 T N -0.808 113.747 114.554 0.002 0.000 2.847 23 T HA 0.299 4.650 4.350 0.001 0.000 0.279 23 T C 1.745 176.445 174.700 0.000 0.000 0.984 23 T CA -0.522 61.578 62.100 0.001 0.000 0.988 23 T CB 0.598 69.467 68.868 0.001 0.000 1.040 23 T HN 0.417 nan 8.240 nan 0.000 0.528 24 V N -0.889 119.025 119.914 -0.000 0.000 2.720 24 V HA -0.082 4.039 4.120 0.001 0.000 0.256 24 V C 1.617 177.710 176.094 -0.001 0.000 1.082 24 V CA 1.853 64.152 62.300 -0.001 0.000 1.101 24 V CB -1.557 30.266 31.823 -0.001 0.000 0.693 24 V HN 0.970 nan 8.190 nan 0.000 0.479 25 D N -1.024 119.376 120.400 -0.001 0.000 2.340 25 D HA 0.022 4.663 4.640 0.001 0.000 0.220 25 D C 0.812 177.111 176.300 -0.001 0.000 1.039 25 D CA 0.201 54.200 54.000 -0.001 0.000 0.866 25 D CB -0.819 39.980 40.800 -0.001 0.000 0.913 25 D HN 0.468 nan 8.370 nan 0.000 0.523 26 C N 1.927 121.227 119.300 -0.001 0.000 2.756 26 C HA 0.344 4.804 4.460 0.001 0.000 0.504 26 C C 0.178 175.167 174.990 -0.001 0.000 1.028 26 C CA -0.843 58.174 59.018 -0.001 0.000 1.167 26 C CB -2.283 25.457 27.740 0.000 0.000 1.444 26 C HN 0.353 nan 8.230 nan 0.000 0.577 27 I N 2.937 123.506 120.570 -0.002 0.000 2.377 27 I HA 0.265 4.435 4.170 0.001 0.000 0.293 27 I C -1.467 174.648 176.117 -0.002 0.000 0.987 27 I CA -2.010 59.289 61.300 -0.002 0.000 1.185 27 I CB 1.872 39.870 38.000 -0.003 0.000 1.341 27 I HN 0.104 nan 8.210 nan 0.000 0.455 28 P HA -0.225 nan 4.420 nan 0.000 0.217 28 P C 1.510 178.808 177.300 -0.003 0.000 1.151 28 P CA 1.448 64.547 63.100 -0.002 0.000 0.849 28 P CB 0.127 31.826 31.700 -0.002 0.000 0.787 29 S N -1.927 113.771 115.700 -0.003 0.000 2.447 29 S HA -0.082 4.388 4.470 0.001 0.000 0.233 29 S C 1.635 176.233 174.600 -0.004 0.000 1.006 29 S CA 0.966 59.164 58.200 -0.004 0.000 0.957 29 S CB -1.009 62.189 63.200 -0.004 0.000 0.773 29 S HN 0.090 nan 8.310 nan 0.000 0.507 30 N N 1.113 119.811 118.700 -0.004 0.000 2.336 30 N HA 0.201 4.942 4.740 0.001 0.000 0.189 30 N C -0.331 175.176 175.510 -0.005 0.000 1.113 30 N CA 0.070 53.118 53.050 -0.004 0.000 0.858 30 N CB 0.220 38.705 38.487 -0.004 0.000 0.970 30 N HN 0.278 nan 8.380 nan 0.000 0.471 31 V N 2.250 122.162 119.914 -0.004 0.000 2.521 31 V HA 0.037 4.157 4.120 0.001 0.000 0.286 31 V C 0.434 176.525 176.094 -0.005 0.000 1.034 31 V CA -0.511 61.786 62.300 -0.004 0.000 1.045 31 V CB 0.736 32.557 31.823 -0.002 0.000 0.974 31 V HN 0.168 nan 8.190 nan 0.000 0.480 32 N N 4.832 123.528 118.700 -0.007 0.000 2.457 32 N HA 0.256 4.996 4.740 0.001 0.000 0.250 32 N C -0.127 175.379 175.510 -0.007 0.000 0.982 32 N CA -0.523 52.521 53.050 -0.009 0.000 0.941 32 N CB 1.429 39.908 38.487 -0.014 0.000 1.120 32 N HN 0.416 nan 8.380 nan 0.000 0.505 33 L N 1.875 123.095 121.223 -0.005 0.000 2.629 33 L HA 0.312 4.652 4.340 0.001 0.000 0.230 33 L C 0.329 177.199 176.870 -0.001 0.000 1.151 33 L CA 0.213 55.053 54.840 -0.000 0.000 0.924 33 L CB -1.077 40.983 42.059 0.002 0.000 1.137 33 L HN 0.426 nan 8.230 nan 0.000 0.457 34 S N -0.614 115.080 115.700 -0.010 0.000 2.568 34 S HA 0.318 4.788 4.470 0.001 0.000 0.282 34 S C 0.501 175.097 174.600 -0.007 0.000 1.338 34 S CA 0.214 58.403 58.200 -0.018 0.000 1.045 34 S CB 0.834 64.014 63.200 -0.033 0.000 0.873 34 S HN 0.339 nan 8.310 nan 0.000 0.516 35 T N 3.069 117.619 114.554 -0.006 0.000 2.942 35 T HA 0.463 4.813 4.350 0.001 0.000 0.327 35 T C -3.053 171.665 174.700 0.029 0.000 1.360 35 T CA -1.544 60.578 62.100 0.036 0.000 1.055 35 T CB 1.624 70.549 68.868 0.095 0.000 1.261 35 T HN 0.306 nan 8.240 nan 0.000 0.485 36 P HA 0.264 nan 4.420 nan 0.000 0.275 36 P C 0.128 177.525 177.300 0.161 0.000 1.227 36 P CA -0.426 62.752 63.100 0.131 0.000 0.781 36 P CB 1.398 33.277 31.700 0.298 0.000 0.906 37 L N 4.148 125.398 121.223 0.045 0.000 2.425 37 L HA 0.132 4.472 4.340 0.001 0.000 0.215 37 L C 0.533 177.516 176.870 0.188 0.000 1.065 37 L CA 0.951 55.721 54.840 -0.117 0.000 0.842 37 L CB 0.280 42.167 42.059 -0.287 0.000 1.033 37 L HN 0.298 nan 8.230 nan 0.000 0.474 38 V N -2.168 117.914 119.914 0.280 0.000 2.864 38 V HA 0.436 4.557 4.120 0.001 0.000 0.314 38 V C -0.372 175.977 176.094 0.425 0.000 1.073 38 V CA -1.193 61.328 62.300 0.369 0.000 0.956 38 V CB 1.300 33.295 31.823 0.286 0.000 1.023 38 V HN 0.349 nan 8.190 nan 0.000 0.435 39 K N 2.359 122.960 120.400 0.336 0.000 2.469 39 K HA 0.399 4.720 4.320 0.001 0.000 0.274 39 K C -0.716 176.091 176.600 0.345 0.000 0.983 39 K CA 0.162 56.603 56.287 0.258 0.000 0.974 39 K CB 0.215 32.800 32.500 0.141 0.000 0.913 39 K HN 0.958 nan 8.250 nan 0.000 0.493 40 F N -2.339 117.754 119.950 0.237 0.000 2.711 40 F HA 0.345 4.873 4.527 0.001 0.000 0.313 40 F C -0.980 174.960 175.800 0.235 0.000 1.141 40 F CA -1.550 56.565 58.000 0.192 0.000 0.941 40 F CB 1.092 40.180 39.000 0.148 0.000 1.349 40 F HN 0.282 nan 8.300 nan 0.000 0.464 41 Q N 1.909 121.939 119.800 0.383 0.000 2.259 41 Q HA 0.187 4.527 4.340 0.001 0.000 0.246 41 Q C -0.489 175.748 176.000 0.395 0.000 0.920 41 Q CA -0.636 55.337 55.803 0.285 0.000 0.895 41 Q CB 1.811 30.670 28.738 0.201 0.000 1.220 41 Q HN 0.796 nan 8.270 nan 0.000 0.439 42 K N 0.097 120.705 120.400 0.347 0.000 2.550 42 K HA -0.038 4.283 4.320 0.001 0.000 0.280 42 K C 0.749 177.521 176.600 0.286 0.000 0.987 42 K CA 1.307 57.836 56.287 0.403 0.000 1.048 42 K CB -0.082 32.524 32.500 0.178 0.000 0.879 42 K HN 0.831 nan 8.250 nan 0.000 0.491 43 G N 2.290 111.264 108.800 0.289 0.000 2.253 43 G HA2 -0.284 3.676 3.960 0.001 0.000 0.251 43 G HA3 -0.284 3.676 3.960 0.001 0.000 0.251 43 G C 0.047 175.032 174.900 0.143 0.000 0.998 43 G CA 0.460 45.665 45.100 0.175 0.000 0.621 43 G HN 0.655 nan 8.290 nan 0.000 0.524 44 Q N -0.409 119.518 119.800 0.211 0.000 2.293 44 Q HA 0.686 5.026 4.340 0.001 0.000 0.216 44 Q C -0.073 175.856 176.000 -0.119 0.000 1.003 44 Q CA -0.691 55.173 55.803 0.103 0.000 0.995 44 Q CB 0.961 29.796 28.738 0.161 0.000 1.172 44 Q HN 0.413 nan 8.270 nan 0.000 0.518 45 Q N 0.161 119.810 119.800 -0.252 0.000 2.301 45 Q HA 0.352 4.693 4.340 0.001 0.000 0.267 45 Q C -0.884 174.784 176.000 -0.554 0.000 1.035 45 Q CA -0.408 55.069 55.803 -0.544 0.000 0.856 45 Q CB 2.272 30.838 28.738 -0.287 0.000 1.337 45 Q HN 0.496 nan 8.270 nan 0.000 0.450 46 S N 0.537 115.786 115.700 -0.752 0.000 2.579 46 S HA -0.014 4.457 4.470 0.001 0.000 0.275 46 S C 0.698 175.252 174.600 -0.078 0.000 1.345 46 S CA 0.050 58.118 58.200 -0.221 0.000 1.031 46 S CB 0.547 63.718 63.200 -0.047 0.000 0.892 46 S HN 0.608 nan 8.310 nan 0.000 0.529 47 E N 1.984 122.204 120.200 0.034 0.000 2.347 47 E HA 0.091 4.441 4.350 0.001 0.000 0.196 47 E C -0.251 176.350 176.600 0.001 0.000 1.008 47 E CA 0.730 57.142 56.400 0.021 0.000 0.852 47 E CB 0.058 29.790 29.700 0.055 0.000 0.783 47 E HN 0.559 nan 8.360 nan 0.000 0.505 48 I N 1.631 122.204 120.570 0.005 0.000 2.468 48 I HA 0.239 4.409 4.170 0.001 0.000 0.285 48 I C -0.825 175.263 176.117 -0.048 0.000 1.039 48 I CA -0.659 60.627 61.300 -0.023 0.000 1.074 48 I CB 1.568 39.557 38.000 -0.017 0.000 1.228 48 I HN -0.110 nan 8.210 nan 0.000 0.436 49 N N 7.319 125.978 118.700 -0.069 0.000 2.314 49 N HA 0.566 5.307 4.740 0.001 0.000 0.294 49 N C -0.850 174.609 175.510 -0.084 0.000 1.029 49 N CA -0.583 52.419 53.050 -0.079 0.000 0.845 49 N CB 2.898 41.336 38.487 -0.083 0.000 1.321 49 N HN 0.370 nan 8.380 nan 0.000 0.481 50 L N 1.560 122.723 121.223 -0.101 0.000 2.439 50 L HA 0.339 4.679 4.340 0.001 0.000 0.259 50 L C 1.682 178.519 176.870 -0.056 0.000 1.129 50 L CA -0.405 54.378 54.840 -0.096 0.000 0.803 50 L CB 0.995 42.974 42.059 -0.133 0.000 1.161 50 L HN 0.388 nan 8.230 nan 0.000 0.462 51 K N 1.291 121.666 120.400 -0.042 0.000 2.314 51 K HA 0.220 4.540 4.320 0.001 0.000 0.198 51 K C 0.042 176.634 176.600 -0.013 0.000 1.045 51 K CA 0.590 56.862 56.287 -0.025 0.000 0.988 51 K CB 0.282 32.772 32.500 -0.017 0.000 0.783 51 K HN 0.515 nan 8.250 nan 0.000 0.484 52 I N -2.466 118.098 120.570 -0.010 0.000 2.769 52 I HA 0.332 4.503 4.170 0.001 0.000 0.298 52 I C -2.663 173.466 176.117 0.019 0.000 1.128 52 I CA -2.680 58.626 61.300 0.010 0.000 1.031 52 I CB 2.545 40.560 38.000 0.024 0.000 1.235 52 I HN -0.246 nan 8.210 nan 0.000 0.423 53 P HA 0.231 nan 4.420 nan 0.000 0.249 53 P C -0.700 176.677 177.300 0.128 0.000 1.593 53 P CA 0.190 63.346 63.100 0.093 0.000 0.896 53 P CB -0.098 31.660 31.700 0.096 0.000 1.581 54 L N 0.673 121.966 121.223 0.118 0.000 2.341 54 L HA 0.581 4.921 4.340 0.001 0.000 0.278 54 L C 0.294 177.299 176.870 0.225 0.000 1.005 54 L CA -1.184 53.775 54.840 0.199 0.000 0.818 54 L CB 2.401 44.608 42.059 0.246 0.000 1.259 54 L HN -0.190 nan 8.230 nan 0.000 0.418 55 V N -0.172 119.918 119.914 0.293 0.000 2.789 55 V HA 0.720 4.841 4.120 0.001 0.000 0.311 55 V C 0.009 176.266 176.094 0.273 0.000 1.073 55 V CA -0.601 61.837 62.300 0.231 0.000 0.921 55 V CB 1.861 33.878 31.823 0.322 0.000 1.009 55 V HN 0.807 nan 8.190 nan 0.000 0.426 56 S N 3.586 119.301 115.700 0.024 0.000 2.562 56 S HA 0.817 5.287 4.470 0.001 0.000 0.275 56 S C 0.489 175.193 174.600 0.174 0.000 1.281 56 S CA -0.071 58.117 58.200 -0.021 0.000 1.045 56 S CB 1.268 64.189 63.200 -0.465 0.000 0.962 56 S HN 2.173 nan 8.310 nan 0.000 0.503 57 A N 2.525 125.462 122.820 0.195 0.000 2.507 57 A HA 0.325 4.646 4.320 0.001 0.000 0.235 57 A C 0.567 178.240 177.584 0.149 0.000 1.070 57 A CA -0.493 51.637 52.037 0.156 0.000 0.768 57 A CB -0.500 18.591 19.000 0.153 0.000 1.011 57 A HN 0.904 nan 8.150 nan 0.000 0.502 58 I N 2.111 122.756 120.570 0.125 0.000 2.270 58 I HA 0.114 4.284 4.170 0.001 0.000 0.294 58 I C -0.154 176.039 176.117 0.126 0.000 1.164 58 I CA 0.681 62.076 61.300 0.158 0.000 1.680 58 I CB -1.068 36.994 38.000 0.103 0.000 1.494 58 I HN 0.509 nan 8.210 nan 0.000 0.767 59 M N 2.240 121.899 119.600 0.099 0.000 2.501 59 M HA 0.303 4.783 4.480 0.001 0.000 0.293 59 M C 0.647 176.740 176.300 -0.346 0.000 1.192 59 M CA -0.579 54.676 55.300 -0.075 0.000 0.886 59 M CB 2.661 35.202 32.600 -0.100 0.000 1.710 59 M HN 0.234 nan 8.290 nan 0.000 0.457 60 Q N 0.334 119.710 119.800 -0.706 0.000 2.135 60 Q HA -0.123 4.217 4.340 0.001 0.000 0.204 60 Q C 1.512 176.985 176.000 -0.879 0.000 0.981 60 Q CA 1.952 56.947 55.803 -1.347 0.000 0.856 60 Q CB -0.195 28.139 28.738 -0.674 0.000 0.902 60 Q HN 0.858 nan 8.270 nan 0.000 0.425 61 S N -1.119 114.025 115.700 -0.926 0.000 2.671 61 S HA 0.139 4.610 4.470 0.001 0.000 0.220 61 S C 1.264 175.661 174.600 -0.339 0.000 0.951 61 S CA -0.066 57.608 58.200 -0.878 0.000 0.932 61 S CB 0.517 62.832 63.200 -1.476 0.000 0.777 61 S HN 0.095 nan 8.310 nan 0.000 0.508 62 V N -0.295 119.488 119.914 -0.219 0.000 3.442 62 V HA 0.257 4.378 4.120 0.001 0.000 0.205 62 V C 0.644 176.734 176.094 -0.007 0.000 1.320 62 V CA 0.156 62.419 62.300 -0.061 0.000 1.306 62 V CB -0.274 31.561 31.823 0.020 0.000 1.267 62 V HN 0.353 nan 8.190 nan 0.000 0.538 63 S N 1.948 117.684 115.700 0.060 0.000 3.869 63 S HA 0.585 5.056 4.470 0.001 0.000 0.241 63 S C 0.346 175.086 174.600 0.233 0.000 1.363 63 S CA 0.159 58.428 58.200 0.115 0.000 0.894 63 S CB 0.108 63.394 63.200 0.142 0.000 1.519 63 S HN 0.614 nan 8.310 nan 0.000 0.470 64 G N 1.158 110.050 108.800 0.153 0.000 2.642 64 G HA2 0.378 4.338 3.960 0.001 0.000 0.291 64 G HA3 0.378 4.338 3.960 0.001 0.000 0.291 64 G C 0.486 175.414 174.900 0.046 0.000 1.345 64 G CA -0.633 44.574 45.100 0.180 0.000 1.043 64 G HN 0.481 nan 8.290 nan 0.000 0.528 65 E N -0.238 119.978 120.200 0.026 0.000 2.051 65 E HA -0.141 4.210 4.350 0.001 0.000 0.192 65 E C 2.326 178.867 176.600 -0.098 0.000 0.991 65 E CA 1.111 57.490 56.400 -0.036 0.000 0.799 65 E CB -0.029 29.663 29.700 -0.013 0.000 0.748 65 E HN 0.403 nan 8.360 nan 0.000 0.449 66 K N 0.215 120.574 120.400 -0.068 0.000 2.057 66 K HA -0.166 4.154 4.320 0.001 0.000 0.207 66 K C 2.167 178.693 176.600 -0.123 0.000 1.049 66 K CA 1.361 57.585 56.287 -0.104 0.000 0.931 66 K CB -0.173 32.305 32.500 -0.037 0.000 0.714 66 K HN 0.056 nan 8.250 nan 0.000 0.440 67 M N 1.263 120.814 119.600 -0.082 0.000 2.086 67 M HA -0.090 4.390 4.480 0.001 0.000 0.261 67 M C 2.071 178.260 176.300 -0.185 0.000 1.067 67 M CA 1.713 56.949 55.300 -0.106 0.000 1.116 67 M CB -0.440 32.111 32.600 -0.082 0.000 1.348 67 M HN 0.117 nan 8.290 nan 0.000 0.407 68 A N 0.125 122.840 122.820 -0.174 0.000 1.908 68 A HA -0.152 4.168 4.320 0.001 0.000 0.218 68 A C 2.229 179.638 177.584 -0.291 0.000 1.181 68 A CA 2.142 54.054 52.037 -0.209 0.000 0.627 68 A CB -1.168 17.738 19.000 -0.157 0.000 0.818 68 A HN 0.623 nan 8.150 nan 0.000 0.445 69 I N -0.535 119.828 120.570 -0.345 0.000 2.202 69 I HA -0.235 3.935 4.170 0.001 0.000 0.242 69 I C 2.998 178.780 176.117 -0.558 0.000 1.091 69 I CA 1.004 61.974 61.300 -0.551 0.000 1.368 69 I CB -0.382 37.226 38.000 -0.653 0.000 1.058 69 I HN 0.352 nan 8.210 nan 0.000 0.410 70 A N 0.635 123.240 122.820 -0.358 0.000 1.902 70 A HA -0.219 4.102 4.320 0.001 0.000 0.217 70 A C 2.234 179.679 177.584 -0.232 0.000 1.181 70 A CA 1.596 53.477 52.037 -0.260 0.000 0.623 70 A CB -0.776 18.130 19.000 -0.156 0.000 0.818 70 A HN 0.379 nan 8.150 nan 0.000 0.443 71 L N -0.445 120.640 121.223 -0.229 0.000 2.109 71 L HA 0.069 4.410 4.340 0.001 0.000 0.207 71 L C 2.648 179.398 176.870 -0.201 0.000 1.086 71 L CA 1.961 56.691 54.840 -0.184 0.000 0.760 71 L CB -0.876 41.025 42.059 -0.264 0.000 0.910 71 L HN 0.333 nan 8.230 nan 0.000 0.437 72 A N -0.342 122.302 122.820 -0.294 0.000 1.902 72 A HA -0.227 4.094 4.320 0.001 0.000 0.217 72 A C 2.408 179.833 177.584 -0.265 0.000 1.181 72 A CA 1.744 53.615 52.037 -0.276 0.000 0.623 72 A CB -0.544 18.250 19.000 -0.342 0.000 0.818 72 A HN 0.488 nan 8.150 nan 0.000 0.443 73 R N -0.422 119.821 120.500 -0.429 0.000 2.127 73 R HA -0.097 4.244 4.340 0.001 0.000 0.238 73 R C 1.268 177.517 176.300 -0.086 0.000 1.134 73 R CA 1.312 57.267 56.100 -0.242 0.000 0.975 73 R CB -0.140 30.003 30.300 -0.261 0.000 0.865 73 R HN 0.441 nan 8.270 nan 0.000 0.447 74 E N -0.908 119.236 120.200 -0.094 0.000 2.489 74 E HA 0.061 4.412 4.350 0.001 0.000 0.193 74 E C 1.065 177.653 176.600 -0.021 0.000 1.057 74 E CA 0.688 57.065 56.400 -0.039 0.000 0.866 74 E CB 0.896 30.583 29.700 -0.020 0.000 0.916 74 E HN 0.555 nan 8.360 nan 0.000 0.500 75 G N 0.228 109.007 108.800 -0.035 0.000 2.184 75 G HA2 -0.185 3.775 3.960 0.001 0.000 0.206 75 G HA3 -0.185 3.775 3.960 0.001 0.000 0.206 75 G C 0.650 175.525 174.900 -0.042 0.000 0.995 75 G CA -0.065 45.020 45.100 -0.026 0.000 0.651 75 G HN 0.552 nan 8.290 nan 0.000 0.511 76 G N -0.836 107.933 108.800 -0.051 0.000 2.736 76 G HA2 0.798 4.758 3.960 0.001 0.000 0.229 76 G HA3 0.798 4.758 3.960 0.001 0.000 0.229 76 G C -0.535 174.289 174.900 -0.127 0.000 1.380 76 G CA -0.281 44.782 45.100 -0.063 0.000 1.040 76 G HN 1.102 nan 8.290 nan 0.000 0.568 77 I N -1.162 119.317 120.570 -0.152 0.000 2.775 77 I HA 0.472 4.643 4.170 0.001 0.000 0.295 77 I C -0.987 174.992 176.117 -0.230 0.000 1.287 77 I CA -0.555 60.606 61.300 -0.232 0.000 1.029 77 I CB 2.194 40.004 38.000 -0.317 0.000 1.282 77 I HN 0.454 nan 8.210 nan 0.000 0.426 78 S N 5.357 120.892 115.700 -0.275 0.000 2.549 78 S HA 0.619 5.090 4.470 0.001 0.000 0.297 78 S C -1.020 173.431 174.600 -0.248 0.000 1.115 78 S CA -0.317 57.774 58.200 -0.182 0.000 1.059 78 S CB 1.274 64.370 63.200 -0.174 0.000 1.046 78 S HN 0.356 nan 8.310 nan 0.000 0.506 79 F N 2.491 122.429 119.950 -0.020 0.000 2.293 79 F HA 0.388 4.915 4.527 0.001 0.000 0.370 79 F C 0.267 176.088 175.800 0.035 0.000 1.090 79 F CA -0.934 57.080 58.000 0.023 0.000 1.133 79 F CB 0.383 39.426 39.000 0.072 0.000 1.360 79 F HN 0.329 nan 8.300 nan 0.000 0.489 80 I N 4.547 125.168 120.570 0.086 0.000 2.906 80 I HA -0.195 3.975 4.170 0.001 0.000 0.301 80 I C 0.590 176.748 176.117 0.069 0.000 1.221 80 I CA 0.097 61.417 61.300 0.035 0.000 1.435 80 I CB -0.886 37.059 38.000 -0.091 0.000 1.345 80 I HN 0.388 nan 8.210 nan 0.000 0.558 81 F N 4.000 123.981 119.950 0.051 0.000 2.602 81 F HA 0.416 4.943 4.527 0.001 0.000 0.367 81 F C 1.262 177.082 175.800 0.034 0.000 1.126 81 F CA -0.503 57.523 58.000 0.043 0.000 1.321 81 F CB 0.078 39.094 39.000 0.027 0.000 1.094 81 F HN 0.515 nan 8.300 nan 0.000 0.594 82 G N 0.771 109.655 108.800 0.140 0.000 3.126 82 G HA2 0.023 3.984 3.960 0.001 0.000 0.224 82 G HA3 0.023 3.984 3.960 0.001 0.000 0.224 82 G C 0.356 175.298 174.900 0.071 0.000 1.142 82 G CA 0.224 45.340 45.100 0.026 0.000 0.759 82 G HN 0.805 nan 8.290 nan 0.000 0.550 83 S N 0.641 116.486 115.700 0.242 0.000 4.069 83 S HA 0.437 4.908 4.470 0.001 0.000 0.192 83 S C 0.137 174.913 174.600 0.293 0.000 1.441 83 S CA -0.550 57.771 58.200 0.201 0.000 0.994 83 S CB -0.525 62.787 63.200 0.187 0.000 1.456 83 S HN 0.702 nan 8.310 nan 0.000 0.458 84 Q N -0.773 119.120 119.800 0.156 0.000 2.738 84 Q HA 0.493 4.834 4.340 0.001 0.000 0.301 84 Q C -0.945 175.073 176.000 0.031 0.000 0.901 84 Q CA -1.153 54.727 55.803 0.128 0.000 0.756 84 Q CB 0.338 29.143 28.738 0.112 0.000 1.463 84 Q HN 0.327 nan 8.270 nan 0.000 0.432 85 S N -0.067 115.651 115.700 0.029 0.000 2.573 85 S HA 0.159 4.630 4.470 0.001 0.000 0.277 85 S C 1.171 175.758 174.600 -0.022 0.000 1.346 85 S CA -0.377 57.828 58.200 0.009 0.000 1.034 85 S CB 0.100 63.310 63.200 0.016 0.000 0.879 85 S HN 0.613 nan 8.310 nan 0.000 0.528 86 I N 1.249 121.807 120.570 -0.020 0.000 2.208 86 I HA -0.199 3.972 4.170 0.001 0.000 0.245 86 I C 2.518 178.619 176.117 -0.027 0.000 1.097 86 I CA 1.691 62.976 61.300 -0.026 0.000 1.363 86 I CB -0.578 37.411 38.000 -0.018 0.000 1.051 86 I HN 0.666 nan 8.210 nan 0.000 0.413 87 E N 0.933 121.123 120.200 -0.018 0.000 2.058 87 E HA -0.209 4.142 4.350 0.001 0.000 0.194 87 E C 2.338 178.924 176.600 -0.024 0.000 0.997 87 E CA 1.928 58.317 56.400 -0.017 0.000 0.801 87 E CB -0.414 29.281 29.700 -0.009 0.000 0.746 87 E HN 0.557 nan 8.360 nan 0.000 0.450 88 S N 0.220 115.904 115.700 -0.026 0.000 2.383 88 S HA -0.243 4.228 4.470 0.001 0.000 0.227 88 S C 2.115 176.664 174.600 -0.085 0.000 1.026 88 S CA 1.283 59.461 58.200 -0.036 0.000 0.981 88 S CB -0.264 62.925 63.200 -0.018 0.000 0.818 88 S HN 0.296 nan 8.310 nan 0.000 0.472 89 Q N 1.402 121.130 119.800 -0.120 0.000 2.079 89 Q HA 0.001 4.342 4.340 0.001 0.000 0.200 89 Q C 2.298 178.243 176.000 -0.093 0.000 0.974 89 Q CA 1.259 56.957 55.803 -0.176 0.000 0.840 89 Q CB -0.576 28.055 28.738 -0.178 0.000 0.898 89 Q HN 0.689 nan 8.270 nan 0.000 0.430 90 A N 0.849 123.640 122.820 -0.048 0.000 1.933 90 A HA -0.132 4.188 4.320 0.001 0.000 0.218 90 A C 2.276 179.871 177.584 0.018 0.000 1.175 90 A CA 1.687 53.718 52.037 -0.011 0.000 0.628 90 A CB -0.942 18.054 19.000 -0.008 0.000 0.814 90 A HN 0.564 nan 8.150 nan 0.000 0.444 91 A N -0.614 122.208 122.820 0.003 0.000 1.902 91 A HA -0.117 4.204 4.320 0.001 0.000 0.217 91 A C 2.265 179.886 177.584 0.061 0.000 1.181 91 A CA 1.782 53.841 52.037 0.036 0.000 0.623 91 A CB -0.519 18.490 19.000 0.014 0.000 0.818 91 A HN 0.535 nan 8.150 nan 0.000 0.443 92 M N -0.816 118.786 119.600 0.003 0.000 2.086 92 M HA -0.133 4.347 4.480 0.001 0.000 0.261 92 M C 2.156 178.459 176.300 0.005 0.000 1.067 92 M CA 1.429 56.723 55.300 -0.010 0.000 1.116 92 M CB -0.487 32.063 32.600 -0.083 0.000 1.348 92 M HN 0.267 nan 8.290 nan 0.000 0.407 93 V N -0.496 119.418 119.914 -0.001 0.000 2.287 93 V HA -0.313 3.808 4.120 0.001 0.000 0.248 93 V C 2.240 178.361 176.094 0.045 0.000 1.053 93 V CA 2.385 64.688 62.300 0.005 0.000 1.027 93 V CB -1.006 30.818 31.823 0.002 0.000 0.646 93 V HN 0.483 nan 8.190 nan 0.000 0.447 94 H N 0.531 119.600 119.070 -0.003 0.000 2.352 94 H HA -0.125 4.431 4.556 0.001 0.000 0.299 94 H C 2.155 177.506 175.328 0.039 0.000 1.097 94 H CA 1.935 57.992 56.048 0.015 0.000 1.311 94 H CB -0.243 29.527 29.762 0.013 0.000 1.377 94 H HN 0.368 nan 8.280 nan 0.000 0.504 95 A N -0.234 122.642 122.820 0.093 0.000 1.933 95 A HA -0.122 4.199 4.320 0.001 0.000 0.218 95 A C 2.647 180.280 177.584 0.082 0.000 1.175 95 A CA 1.708 53.796 52.037 0.084 0.000 0.628 95 A CB -0.832 18.235 19.000 0.111 0.000 0.814 95 A HN 0.334 nan 8.150 nan 0.000 0.444 96 V N 0.247 120.185 119.914 0.040 0.000 2.379 96 V HA -0.182 3.938 4.120 0.001 0.000 0.245 96 V C 2.423 178.568 176.094 0.084 0.000 1.044 96 V CA 1.964 64.292 62.300 0.047 0.000 1.036 96 V CB -0.537 31.275 31.823 -0.018 0.000 0.664 96 V HN 0.386 nan 8.190 nan 0.000 0.453 97 K N 0.738 121.134 120.400 -0.006 0.000 2.211 97 K HA -0.073 4.247 4.320 0.001 0.000 0.203 97 K C 1.161 177.715 176.600 -0.077 0.000 1.050 97 K CA 1.144 57.406 56.287 -0.042 0.000 0.945 97 K CB -0.481 31.968 32.500 -0.085 0.000 0.732 97 K HN 0.507 nan 8.250 nan 0.000 0.451 98 N N -0.283 118.343 118.700 -0.123 0.000 2.273 98 N HA 0.072 4.813 4.740 0.001 0.000 0.231 98 N C -0.085 175.418 175.510 -0.012 0.000 1.134 98 N CA -0.276 52.697 53.050 -0.128 0.000 0.856 98 N CB 0.076 38.396 38.487 -0.279 0.000 1.068 98 N HN -0.016 nan 8.380 nan 0.000 0.510 232 Y N 2.339 122.630 120.300 -0.015 0.000 2.411 232 Y HA 0.183 4.733 4.550 0.001 0.000 0.333 232 Y C 1.112 176.969 175.900 -0.072 0.000 1.186 232 Y CA -0.702 57.372 58.100 -0.043 0.000 1.381 232 Y CB 0.724 39.157 38.460 -0.045 0.000 1.273 232 Y HN 0.270 nan 8.280 nan 0.000 0.546 233 L N 3.228 124.503 121.223 0.087 0.000 2.417 233 L HA 0.473 4.813 4.340 0.001 0.000 0.268 233 L C -0.198 176.618 176.870 -0.090 0.000 1.158 233 L CA -0.184 54.637 54.840 -0.032 0.000 0.819 233 L CB 1.075 43.089 42.059 -0.075 0.000 1.112 233 L HN 0.457 nan 8.230 nan 0.000 0.458 234 V N 1.199 121.028 119.914 -0.141 0.000 3.000 234 V HA 0.851 4.971 4.120 0.001 0.000 0.300 234 V C -0.249 175.679 176.094 -0.276 0.000 1.251 234 V CA -0.128 62.050 62.300 -0.204 0.000 0.972 234 V CB 2.045 33.794 31.823 -0.125 0.000 1.065 234 V HN 0.808 nan 8.190 nan 0.000 0.431 235 G N 3.248 111.770 108.800 -0.463 0.000 2.667 235 G HA2 0.971 4.932 3.960 0.001 0.000 0.310 235 G HA3 0.971 4.932 3.960 0.001 0.000 0.310 235 G C -0.753 174.025 174.900 -0.203 0.000 1.259 235 G CA -0.291 44.484 45.100 -0.542 0.000 1.019 235 G HN 1.690 nan 8.290 nan 0.000 0.496 236 A N -1.078 121.776 122.820 0.056 0.000 2.517 236 A HA 0.781 5.102 4.320 0.001 0.000 0.297 236 A C -0.016 177.712 177.584 0.240 0.000 1.050 236 A CA 0.029 52.141 52.037 0.126 0.000 0.694 236 A CB 1.398 20.418 19.000 0.033 0.000 1.277 236 A HN 1.620 nan 8.150 nan 0.000 0.400 237 G N 0.746 109.663 108.800 0.196 0.000 2.420 237 G HA2 0.624 4.584 3.960 0.001 0.000 0.284 237 G HA3 0.624 4.584 3.960 0.001 0.000 0.284 237 G C -0.014 174.924 174.900 0.062 0.000 1.177 237 G CA -0.083 45.100 45.100 0.138 0.000 0.841 237 G HN 1.475 nan 8.290 nan 0.000 0.527 238 I N -1.154 119.436 120.570 0.033 0.000 3.145 238 I HA 0.746 4.917 4.170 0.001 0.000 0.313 238 I C -0.869 175.235 176.117 -0.022 0.000 1.122 238 I CA -1.557 59.752 61.300 0.014 0.000 0.987 238 I CB 2.787 40.813 38.000 0.043 0.000 1.236 238 I HN 0.571 nan 8.210 nan 0.000 0.453 239 N N -0.958 117.727 118.700 -0.025 0.000 2.545 239 N HA 0.427 5.167 4.740 0.001 0.000 0.289 239 N C 0.212 175.741 175.510 0.030 0.000 1.279 239 N CA -0.210 52.800 53.050 -0.066 0.000 0.824 239 N CB 1.281 39.664 38.487 -0.174 0.000 1.395 239 N HN 0.712 nan 8.380 nan 0.000 0.526 240 T N -3.256 111.301 114.554 0.005 0.000 3.252 240 T HA 0.232 4.582 4.350 0.001 0.000 0.250 240 T C 0.718 175.566 174.700 0.246 0.000 1.123 240 T CA 0.135 62.315 62.100 0.133 0.000 1.006 240 T CB -0.257 68.656 68.868 0.075 0.000 0.992 240 T HN 0.360 nan 8.240 nan 0.000 0.547 241 R N 1.799 122.347 120.500 0.079 0.000 2.125 241 R HA 0.149 4.489 4.340 0.001 0.000 0.195 241 R C 1.039 177.203 176.300 -0.227 0.000 1.138 241 R CA 1.226 57.291 56.100 -0.058 0.000 1.123 241 R CB -0.593 29.646 30.300 -0.102 0.000 1.049 241 R HN 0.582 nan 8.270 nan 0.000 0.503 242 D N 1.290 121.577 120.400 -0.189 0.000 2.395 242 D HA -0.023 4.617 4.640 0.001 0.000 0.226 242 D C 1.326 177.440 176.300 -0.310 0.000 1.146 242 D CA -0.359 53.477 54.000 -0.274 0.000 0.830 242 D CB -0.587 40.125 40.800 -0.146 0.000 0.958 242 D HN 0.209 nan 8.370 nan 0.000 0.501 243 F N 0.480 120.297 119.950 -0.221 0.000 2.202 243 F HA 0.016 4.543 4.527 0.001 0.000 0.301 243 F C 1.907 177.430 175.800 -0.461 0.000 1.082 243 F CA 0.439 58.285 58.000 -0.258 0.000 1.313 243 F CB -0.592 38.276 39.000 -0.219 0.000 1.024 243 F HN -0.138 nan 8.300 nan 0.000 0.495 244 R N 0.426 120.275 120.500 -1.086 0.000 2.152 244 R HA -0.113 4.228 4.340 0.001 0.000 0.232 244 R C 1.580 177.699 176.300 -0.301 0.000 1.117 244 R CA 1.713 57.208 56.100 -1.007 0.000 0.981 244 R CB -0.340 29.416 30.300 -0.906 0.000 0.870 244 R HN 0.381 nan 8.270 nan 0.000 0.451 245 E N -0.612 119.452 120.200 -0.227 0.000 2.244 245 E HA 0.054 4.405 4.350 0.001 0.000 0.196 245 E C 1.752 178.349 176.600 -0.006 0.000 0.939 245 E CA 0.297 56.657 56.400 -0.067 0.000 0.884 245 E CB 0.063 29.713 29.700 -0.083 0.000 0.850 245 E HN 0.087 nan 8.360 nan 0.000 0.481 246 R N 0.587 121.071 120.500 -0.027 0.000 2.075 246 R HA -0.069 4.272 4.340 0.001 0.000 0.232 246 R C 1.903 178.244 176.300 0.070 0.000 1.126 246 R CA 1.079 57.188 56.100 0.015 0.000 0.963 246 R CB -0.184 30.117 30.300 0.001 0.000 0.858 246 R HN 0.042 nan 8.270 nan 0.000 0.435 247 V N 1.517 121.509 119.914 0.131 0.000 2.255 247 V HA -0.169 3.951 4.120 0.001 0.000 0.247 247 V C -0.902 175.305 176.094 0.188 0.000 1.051 247 V CA 1.958 64.372 62.300 0.190 0.000 1.018 247 V CB -1.104 30.953 31.823 0.390 0.000 0.641 247 V HN 0.330 nan 8.190 nan 0.000 0.445 248 P HA -0.171 nan 4.420 nan 0.000 0.215 248 P C 1.688 179.080 177.300 0.154 0.000 1.153 248 P CA 2.088 65.363 63.100 0.291 0.000 0.853 248 P CB -0.172 31.714 31.700 0.310 0.000 0.788 249 A N -0.790 122.094 122.820 0.107 0.000 1.902 249 A HA -0.162 4.158 4.320 0.001 0.000 0.217 249 A C 2.206 179.818 177.584 0.047 0.000 1.181 249 A CA 1.452 53.526 52.037 0.061 0.000 0.623 249 A CB -1.610 17.412 19.000 0.036 0.000 0.818 249 A HN 0.117 nan 8.150 nan 0.000 0.443 250 L N -0.717 120.531 121.223 0.043 0.000 2.109 250 L HA -0.115 4.225 4.340 0.001 0.000 0.207 250 L C 2.505 179.385 176.870 0.017 0.000 1.086 250 L CA 0.806 55.660 54.840 0.024 0.000 0.760 250 L CB -0.526 41.544 42.059 0.018 0.000 0.910 250 L HN 0.235 nan 8.230 nan 0.000 0.437 251 V N -0.437 119.480 119.914 0.005 0.000 2.343 251 V HA -0.246 3.875 4.120 0.001 0.000 0.247 251 V C 2.593 178.708 176.094 0.034 0.000 1.051 251 V CA 1.606 63.893 62.300 -0.022 0.000 1.036 251 V CB -0.446 31.322 31.823 -0.092 0.000 0.654 251 V HN 0.420 nan 8.190 nan 0.000 0.451 252 E N 0.367 120.605 120.200 0.063 0.000 2.118 252 E HA -0.201 4.149 4.350 0.001 0.000 0.195 252 E C 2.250 178.898 176.600 0.081 0.000 0.992 252 E CA 1.547 57.990 56.400 0.072 0.000 0.804 252 E CB -0.249 29.491 29.700 0.067 0.000 0.741 252 E HN 0.553 nan 8.360 nan 0.000 0.458 253 A N -0.481 122.387 122.820 0.080 0.000 2.119 253 A HA 0.087 4.407 4.320 0.001 0.000 0.217 253 A C 1.664 179.327 177.584 0.133 0.000 1.153 253 A CA 1.530 53.650 52.037 0.139 0.000 0.692 253 A CB -0.218 18.841 19.000 0.098 0.000 0.799 253 A HN 0.361 nan 8.150 nan 0.000 0.458 254 G N -2.453 106.386 108.800 0.066 0.000 2.138 254 G HA2 0.186 4.147 3.960 0.001 0.000 0.193 254 G HA3 0.186 4.147 3.960 0.001 0.000 0.193 254 G C 0.314 175.213 174.900 -0.002 0.000 0.998 254 G CA 0.102 45.219 45.100 0.029 0.000 0.668 254 G HN 1.531 nan 8.290 nan 0.000 0.516 255 A N 0.230 123.045 122.820 -0.007 0.000 2.520 255 A HA 0.484 4.804 4.320 0.001 0.000 0.245 255 A C 1.203 178.764 177.584 -0.038 0.000 1.072 255 A CA 0.951 52.969 52.037 -0.032 0.000 0.761 255 A CB 0.247 19.232 19.000 -0.024 0.000 1.004 255 A HN 0.313 nan 8.150 nan 0.000 0.499 256 D N 0.414 120.779 120.400 -0.058 0.000 2.249 256 D HA 0.091 4.732 4.640 0.001 0.000 0.205 256 D C 0.273 176.559 176.300 -0.023 0.000 0.962 256 D CA 1.372 55.343 54.000 -0.047 0.000 0.860 256 D CB 0.545 41.304 40.800 -0.068 0.000 0.955 256 D HN 0.326 nan 8.370 nan 0.000 0.505 257 V N 0.569 120.469 119.914 -0.022 0.000 3.147 257 V HA 0.357 4.478 4.120 0.001 0.000 0.299 257 V C -1.772 174.409 176.094 0.146 0.000 1.302 257 V CA -0.766 61.584 62.300 0.083 0.000 1.015 257 V CB 2.399 34.317 31.823 0.158 0.000 1.086 257 V HN -0.137 nan 8.190 nan 0.000 0.437 258 L N 4.063 125.411 121.223 0.208 0.000 2.286 258 L HA 0.871 5.212 4.340 0.001 0.000 0.265 258 L C -0.753 176.284 176.870 0.278 0.000 1.012 258 L CA -0.686 54.286 54.840 0.220 0.000 0.818 258 L CB 2.022 44.135 42.059 0.089 0.000 1.337 258 L HN 0.777 nan 8.230 nan 0.000 0.438 259 C N 1.686 121.101 119.300 0.191 0.000 2.832 259 C HA 0.461 4.922 4.460 0.001 0.000 0.383 259 C C -0.333 174.627 174.990 -0.049 0.000 1.046 259 C CA -0.605 58.411 59.018 -0.002 0.000 1.242 259 C CB 0.362 28.061 27.740 -0.069 0.000 1.693 259 C HN 0.639 nan 8.230 nan 0.000 0.497 260 I N 4.291 124.792 120.570 -0.115 0.000 2.598 260 I HA 0.129 4.300 4.170 0.001 0.000 0.284 260 I C 0.186 176.243 176.117 -0.100 0.000 1.140 260 I CA 0.784 62.028 61.300 -0.094 0.000 1.420 260 I CB 0.476 38.413 38.000 -0.105 0.000 1.387 260 I HN 0.634 nan 8.210 nan 0.000 0.553 261 D N 5.899 126.246 120.400 -0.089 0.000 2.428 261 D HA 0.336 4.977 4.640 0.001 0.000 0.221 261 D C -1.076 175.133 176.300 -0.152 0.000 1.123 261 D CA -0.044 53.893 54.000 -0.105 0.000 0.869 261 D CB 0.687 41.441 40.800 -0.077 0.000 1.032 261 D HN 0.412 nan 8.370 nan 0.000 0.506 262 S N 1.652 117.260 115.700 -0.154 0.000 2.540 262 S HA 0.190 4.660 4.470 0.001 0.000 0.275 262 S C 0.725 175.209 174.600 -0.192 0.000 1.123 262 S CA -0.769 57.316 58.200 -0.191 0.000 0.907 262 S CB 1.715 64.850 63.200 -0.107 0.000 1.081 262 S HN 0.335 nan 8.310 nan 0.000 0.476 263 S N 1.110 116.631 115.700 -0.298 0.000 2.356 263 S HA -0.107 4.364 4.470 0.001 0.000 0.223 263 S C 0.439 175.007 174.600 -0.054 0.000 1.032 263 S CA 1.543 59.626 58.200 -0.196 0.000 1.005 263 S CB -0.142 62.918 63.200 -0.233 0.000 0.867 263 S HN 0.764 nan 8.310 nan 0.000 0.449 264 D N -0.172 120.212 120.400 -0.025 0.000 2.446 264 D HA 0.480 5.121 4.640 0.001 0.000 0.251 264 D C 0.472 176.811 176.300 0.064 0.000 1.137 264 D CA -0.198 53.829 54.000 0.044 0.000 0.890 264 D CB 0.834 41.678 40.800 0.074 0.000 1.071 264 D HN 0.218 nan 8.370 nan 0.000 0.528 265 G N 2.422 111.259 108.800 0.062 0.000 2.985 265 G HA2 -0.069 3.892 3.960 0.001 0.000 0.209 265 G HA3 -0.069 3.892 3.960 0.001 0.000 0.209 265 G C 0.381 175.384 174.900 0.172 0.000 1.165 265 G CA -0.283 44.863 45.100 0.077 0.000 0.776 265 G HN 0.431 nan 8.290 nan 0.000 0.541 266 F N 3.773 123.719 119.950 -0.007 0.000 2.678 266 F HA 0.445 4.972 4.527 0.001 0.000 0.358 266 F C 0.567 176.295 175.800 -0.121 0.000 1.256 266 F CA -1.511 56.451 58.000 -0.064 0.000 1.278 266 F CB -0.671 38.275 39.000 -0.089 0.000 1.681 266 F HN 0.088 nan 8.300 nan 0.000 0.661 267 S N 1.230 117.072 115.700 0.236 0.000 2.570 267 S HA 0.281 4.752 4.470 0.001 0.000 0.270 267 S C 0.637 175.341 174.600 0.173 0.000 1.149 267 S CA -0.806 57.450 58.200 0.093 0.000 0.837 267 S CB 1.539 64.858 63.200 0.198 0.000 1.124 267 S HN 0.438 nan 8.310 nan 0.000 0.465 268 E N 0.353 120.537 120.200 -0.027 0.000 2.204 268 E HA -0.095 4.255 4.350 0.001 0.000 0.194 268 E C 0.731 177.305 176.600 -0.042 0.000 0.989 268 E CA 1.265 57.653 56.400 -0.020 0.000 0.824 268 E CB -0.123 29.425 29.700 -0.253 0.000 0.756 268 E HN 0.821 nan 8.360 nan 0.000 0.477 269 W N 1.074 122.426 121.300 0.087 0.000 2.338 269 W HA -0.178 4.482 4.660 0.001 0.000 0.304 269 W C 2.526 179.050 176.519 0.008 0.000 1.212 269 W CA 0.700 58.079 57.345 0.057 0.000 1.264 269 W CB -0.092 29.400 29.460 0.053 0.000 1.142 269 W HN 0.135 nan 8.180 nan 0.000 0.512 270 Q N 0.536 120.479 119.800 0.239 0.000 2.123 270 Q HA -0.187 4.154 4.340 0.001 0.000 0.199 270 Q C 2.116 178.125 176.000 0.015 0.000 0.966 270 Q CA 1.231 57.088 55.803 0.090 0.000 0.845 270 Q CB -0.481 28.309 28.738 0.088 0.000 0.907 270 Q HN 0.384 nan 8.270 nan 0.000 0.439 271 K N 1.150 121.587 120.400 0.062 0.000 2.057 271 K HA -0.135 4.185 4.320 0.001 0.000 0.207 271 K C 1.999 178.576 176.600 -0.039 0.000 1.049 271 K CA 0.932 57.194 56.287 -0.042 0.000 0.931 271 K CB -0.052 32.423 32.500 -0.043 0.000 0.714 271 K HN 0.116 nan 8.250 nan 0.000 0.440 272 I N 0.679 121.252 120.570 0.005 0.000 2.252 272 I HA -0.252 3.919 4.170 0.001 0.000 0.245 272 I C 2.133 178.191 176.117 -0.099 0.000 1.102 272 I CA 1.371 62.685 61.300 0.025 0.000 1.385 272 I CB -0.400 37.673 38.000 0.123 0.000 1.064 272 I HN 0.244 nan 8.210 nan 0.000 0.414 273 T N 1.295 115.671 114.554 -0.296 0.000 2.708 273 T HA -0.130 4.221 4.350 0.001 0.000 0.266 273 T C 1.918 176.432 174.700 -0.309 0.000 1.037 273 T CA 1.461 63.120 62.100 -0.735 0.000 1.146 273 T CB -0.286 68.209 68.868 -0.621 0.000 0.865 273 T HN 0.237 nan 8.240 nan 0.000 0.435 274 I N 1.171 121.644 120.570 -0.162 0.000 2.226 274 I HA -0.096 4.075 4.170 0.001 0.000 0.245 274 I C 2.912 179.018 176.117 -0.019 0.000 1.100 274 I CA 1.249 62.499 61.300 -0.083 0.000 1.374 274 I CB -0.786 37.148 38.000 -0.111 0.000 1.057 274 I HN 0.313 nan 8.210 nan 0.000 0.413 275 G N 0.079 108.871 108.800 -0.013 0.000 2.422 275 G HA2 -0.304 3.656 3.960 0.001 0.000 0.218 275 G HA3 -0.304 3.656 3.960 0.001 0.000 0.218 275 G C 1.435 176.394 174.900 0.097 0.000 1.146 275 G CA 0.465 45.581 45.100 0.026 0.000 0.769 275 G HN 0.506 nan 8.290 nan 0.000 0.547 276 W N 1.165 122.448 121.300 -0.028 0.000 2.358 276 W HA 0.015 4.676 4.660 0.001 0.000 0.303 276 W C 2.370 178.952 176.519 0.106 0.000 1.208 276 W CA 1.264 58.653 57.345 0.073 0.000 1.274 276 W CB -0.154 29.420 29.460 0.189 0.000 1.138 276 W HN 0.164 nan 8.180 nan 0.000 0.515 277 I N 0.657 121.418 120.570 0.319 0.000 2.163 277 I HA -0.357 3.814 4.170 0.001 0.000 0.243 277 I C 2.611 178.786 176.117 0.096 0.000 1.085 277 I CA 1.271 62.724 61.300 0.254 0.000 1.347 277 I CB -0.649 37.486 38.000 0.224 0.000 1.044 277 I HN -0.073 nan 8.210 nan 0.000 0.408 278 R N 0.627 121.149 120.500 0.036 0.000 2.096 278 R HA -0.158 4.182 4.340 0.001 0.000 0.235 278 R C 2.048 178.310 176.300 -0.064 0.000 1.127 278 R CA 1.205 57.306 56.100 0.002 0.000 0.968 278 R CB -0.626 29.668 30.300 -0.009 0.000 0.861 278 R HN 0.501 nan 8.270 nan 0.000 0.440 279 E N 0.407 120.532 120.200 -0.125 0.000 2.051 279 E HA -0.153 4.198 4.350 0.001 0.000 0.192 279 E C 1.662 178.077 176.600 -0.310 0.000 0.991 279 E CA 1.099 57.383 56.400 -0.194 0.000 0.799 279 E CB 0.247 29.825 29.700 -0.205 0.000 0.748 279 E HN 0.084 nan 8.360 nan 0.000 0.449 280 K N -0.586 119.512 120.400 -0.504 0.000 2.211 280 K HA -0.043 4.278 4.320 0.001 0.000 0.201 280 K C 1.255 177.441 176.600 -0.690 0.000 1.052 280 K CA 0.992 56.848 56.287 -0.717 0.000 0.973 280 K CB 0.153 31.928 32.500 -1.207 0.000 0.766 280 K HN 0.279 nan 8.250 nan 0.000 0.466 281 Y N -0.403 119.782 120.300 -0.192 0.000 2.527 281 Y HA 0.237 4.787 4.550 0.001 0.000 0.247 281 Y C 1.350 177.213 175.900 -0.062 0.000 1.138 281 Y CA 0.016 58.057 58.100 -0.097 0.000 1.228 281 Y CB 0.577 39.003 38.460 -0.057 0.000 1.252 281 Y HN 0.187 nan 8.280 nan 0.000 0.531 282 G N 1.111 109.942 108.800 0.051 0.000 2.574 282 G HA2 -0.357 3.603 3.960 0.001 0.000 0.286 282 G HA3 -0.357 3.603 3.960 0.001 0.000 0.286 282 G C 0.350 175.287 174.900 0.061 0.000 1.212 282 G CA 0.700 45.821 45.100 0.034 0.000 0.979 282 G HN 0.279 nan 8.290 nan 0.000 0.557 283 D N 0.834 121.267 120.400 0.054 0.000 2.328 283 D HA 0.141 4.782 4.640 0.001 0.000 0.221 283 D C 2.203 178.542 176.300 0.065 0.000 1.072 283 D CA 0.453 54.487 54.000 0.058 0.000 0.850 283 D CB 0.179 41.013 40.800 0.055 0.000 0.922 283 D HN 0.538 nan 8.370 nan 0.000 0.516 284 K N -0.112 120.335 120.400 0.079 0.000 2.148 284 K HA 0.021 4.341 4.320 0.001 0.000 0.204 284 K C 0.562 177.187 176.600 0.040 0.000 1.050 284 K CA 0.560 56.892 56.287 0.074 0.000 0.942 284 K CB 0.625 33.191 32.500 0.109 0.000 0.724 284 K HN -0.042 nan 8.250 nan 0.000 0.446 285 V N 2.877 122.804 119.914 0.021 0.000 2.398 285 V HA 0.139 4.259 4.120 0.001 0.000 0.286 285 V C -0.294 175.798 176.094 -0.004 0.000 1.026 285 V CA -0.895 61.368 62.300 -0.062 0.000 0.868 285 V CB 1.530 33.197 31.823 -0.259 0.000 0.982 285 V HN 0.049 nan 8.190 nan 0.000 0.443 286 K N 3.675 124.087 120.400 0.020 0.000 2.183 286 K HA 0.621 4.941 4.320 0.001 0.000 0.274 286 K C -0.770 175.868 176.600 0.063 0.000 1.009 286 K CA -0.428 55.900 56.287 0.068 0.000 0.888 286 K CB 2.120 34.694 32.500 0.124 0.000 1.078 286 K HN 0.433 nan 8.250 nan 0.000 0.459 287 V N 1.782 121.703 119.914 0.012 0.000 2.525 287 V HA 0.609 4.729 4.120 0.001 0.000 0.299 287 V C -0.127 175.794 176.094 -0.288 0.000 1.034 287 V CA -0.513 61.747 62.300 -0.067 0.000 0.863 287 V CB 1.705 33.488 31.823 -0.068 0.000 0.999 287 V HN 0.844 nan 8.190 nan 0.000 0.423 288 G N 4.441 112.889 108.800 -0.586 0.000 2.504 288 G HA2 0.843 4.804 3.960 0.001 0.000 0.288 288 G HA3 0.843 4.804 3.960 0.001 0.000 0.288 288 G C -0.313 174.142 174.900 -0.742 0.000 1.182 288 G CA 0.103 44.286 45.100 -1.527 0.000 0.894 288 G HN 1.623 nan 8.290 nan 0.000 0.521 289 A N -1.225 121.220 122.820 -0.625 0.000 2.588 289 A HA 0.997 5.318 4.320 0.001 0.000 0.290 289 A C 0.515 177.971 177.584 -0.215 0.000 1.136 289 A CA 0.417 52.262 52.037 -0.321 0.000 0.681 289 A CB 0.874 19.722 19.000 -0.253 0.000 1.282 289 A HN 2.648 nan 8.150 nan 0.000 0.421 290 G N 0.098 108.817 108.800 -0.134 0.000 2.520 290 G HA2 0.182 4.143 3.960 0.001 0.000 0.248 290 G HA3 0.182 4.143 3.960 0.001 0.000 0.248 290 G C -0.074 174.793 174.900 -0.056 0.000 1.161 290 G CA 0.831 45.882 45.100 -0.081 0.000 0.946 290 G HN 2.407 nan 8.290 nan 0.000 0.565 291 N N -1.256 117.418 118.700 -0.044 0.000 4.414 291 N HA 0.114 4.854 4.740 0.001 0.000 0.281 291 N C -0.626 174.878 175.510 -0.010 0.000 0.876 291 N CA 0.849 53.883 53.050 -0.028 0.000 0.740 291 N CB -1.061 37.407 38.487 -0.033 0.000 1.526 291 N HN 1.595 nan 8.380 nan 0.000 0.617 292 I N -2.227 118.330 120.570 -0.020 0.000 3.067 292 I HA 0.844 5.014 4.170 0.001 0.000 0.312 292 I C 0.967 177.074 176.117 -0.016 0.000 1.073 292 I CA -0.783 60.506 61.300 -0.019 0.000 1.016 292 I CB 1.683 39.623 38.000 -0.100 0.000 1.227 292 I HN 0.038 nan 8.210 nan 0.000 0.456 293 V N -1.824 118.086 119.914 -0.008 0.000 3.337 293 V HA 0.510 4.630 4.120 0.001 0.000 0.307 293 V C -0.766 175.311 176.094 -0.029 0.000 1.505 293 V CA 0.270 62.553 62.300 -0.027 0.000 1.072 293 V CB -0.800 31.002 31.823 -0.036 0.000 0.929 293 V HN 0.993 nan 8.190 nan 0.000 0.455 294 D N -0.900 119.496 120.400 -0.007 0.000 2.626 294 D HA 0.456 5.097 4.640 0.001 0.000 0.278 294 D C 1.250 177.558 176.300 0.014 0.000 1.211 294 D CA 0.155 54.162 54.000 0.011 0.000 0.903 294 D CB 1.194 42.034 40.800 0.067 0.000 1.408 294 D HN -0.001 nan 8.370 nan 0.000 0.454 295 G N -0.232 108.587 108.800 0.032 0.000 2.440 295 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 295 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 295 G C 1.035 175.977 174.900 0.070 0.000 1.154 295 G CA 0.938 46.066 45.100 0.046 0.000 0.767 295 G HN 0.621 nan 8.290 nan 0.000 0.552 296 E N 0.077 120.313 120.200 0.060 0.000 2.058 296 E HA -0.085 4.265 4.350 0.001 0.000 0.194 296 E C 2.799 179.220 176.600 -0.297 0.000 0.997 296 E CA 0.749 57.177 56.400 0.047 0.000 0.801 296 E CB -0.376 29.461 29.700 0.229 0.000 0.746 296 E HN 0.394 nan 8.360 nan 0.000 0.450 297 G N 0.871 109.335 108.800 -0.560 0.000 2.418 297 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 297 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 297 G C 1.385 175.964 174.900 -0.535 0.000 1.158 297 G CA 0.613 45.021 45.100 -1.153 0.000 0.771 297 G HN 0.249 nan 8.290 nan 0.000 0.545 298 F N 1.843 121.581 119.950 -0.353 0.000 2.069 298 F HA -0.104 4.424 4.527 0.001 0.000 0.298 298 F C 2.727 178.350 175.800 -0.294 0.000 1.113 298 F CA 2.045 59.878 58.000 -0.279 0.000 1.214 298 F CB -0.156 38.712 39.000 -0.221 0.000 0.978 298 F HN 0.123 nan 8.300 nan 0.000 0.474 299 R N -0.448 119.992 120.500 -0.099 0.000 2.091 299 R HA -0.269 4.072 4.340 0.001 0.000 0.238 299 R C 2.200 178.363 176.300 -0.228 0.000 1.136 299 R CA 2.209 58.225 56.100 -0.140 0.000 0.959 299 R CB -1.571 28.780 30.300 0.086 0.000 0.856 299 R HN 0.530 nan 8.270 nan 0.000 0.437 300 Y N 0.342 120.453 120.300 -0.315 0.000 2.145 300 Y HA -0.127 4.423 4.550 0.001 0.000 0.286 300 Y C 1.743 177.480 175.900 -0.271 0.000 1.145 300 Y CA 2.016 59.981 58.100 -0.224 0.000 1.148 300 Y CB -0.168 38.174 38.460 -0.197 0.000 0.981 300 Y HN 0.068 nan 8.280 nan 0.000 0.507 301 L N -0.684 120.334 121.223 -0.341 0.000 2.217 301 L HA -0.122 4.218 4.340 0.001 0.000 0.211 301 L C 2.691 179.250 176.870 -0.517 0.000 1.107 301 L CA 0.819 55.420 54.840 -0.399 0.000 0.783 301 L CB -0.867 40.995 42.059 -0.328 0.000 0.919 301 L HN 0.312 nan 8.230 nan 0.000 0.442 302 A N 0.089 122.468 122.820 -0.735 0.000 1.873 302 A HA -0.207 4.113 4.320 0.001 0.000 0.215 302 A C 1.909 179.239 177.584 -0.423 0.000 1.186 302 A CA 1.803 53.356 52.037 -0.807 0.000 0.616 302 A CB -0.451 17.653 19.000 -1.494 0.000 0.823 302 A HN 0.307 nan 8.150 nan 0.000 0.442 303 D N 0.116 120.315 120.400 -0.335 0.000 2.218 303 D HA -0.018 4.623 4.640 0.001 0.000 0.204 303 D C 2.030 178.196 176.300 -0.224 0.000 0.976 303 D CA 1.287 55.188 54.000 -0.165 0.000 0.853 303 D CB -0.305 40.417 40.800 -0.130 0.000 0.939 303 D HN 0.438 nan 8.370 nan 0.000 0.481 304 A N -0.184 122.428 122.820 -0.347 0.000 2.119 304 A HA 0.266 4.586 4.320 0.001 0.000 0.217 304 A C 1.844 179.307 177.584 -0.201 0.000 1.153 304 A CA 1.579 53.427 52.037 -0.316 0.000 0.692 304 A CB -0.146 18.613 19.000 -0.402 0.000 0.799 304 A HN 0.300 nan 8.150 nan 0.000 0.458 305 G N -2.562 106.124 108.800 -0.191 0.000 2.154 305 G HA2 0.199 4.159 3.960 0.001 0.000 0.186 305 G HA3 0.199 4.159 3.960 0.001 0.000 0.186 305 G C 0.345 175.166 174.900 -0.132 0.000 1.000 305 G CA 0.129 45.154 45.100 -0.124 0.000 0.664 305 G HN 1.504 nan 8.290 nan 0.000 0.513 306 A N 0.184 122.884 122.820 -0.201 0.000 2.498 306 A HA 0.489 4.809 4.320 0.001 0.000 0.239 306 A C 1.192 178.691 177.584 -0.142 0.000 1.068 306 A CA 0.943 52.853 52.037 -0.211 0.000 0.766 306 A CB 0.277 19.101 19.000 -0.293 0.000 1.003 306 A HN 0.254 nan 8.150 nan 0.000 0.497 307 D N 0.063 120.405 120.400 -0.098 0.000 2.289 307 D HA 0.149 4.789 4.640 0.001 0.000 0.207 307 D C -0.148 176.280 176.300 0.215 0.000 0.966 307 D CA 1.423 55.462 54.000 0.065 0.000 0.868 307 D CB 0.053 40.934 40.800 0.135 0.000 0.943 307 D HN 0.576 nan 8.370 nan 0.000 0.514 308 F N -0.685 119.300 119.950 0.057 0.000 2.678 308 F HA 0.517 5.045 4.527 0.001 0.000 0.308 308 F C -1.902 173.899 175.800 0.002 0.000 1.118 308 F CA -1.392 56.663 58.000 0.092 0.000 0.959 308 F CB 0.811 39.983 39.000 0.287 0.000 1.305 308 F HN -0.375 nan 8.300 nan 0.000 0.443 309 I N 2.722 123.416 120.570 0.207 0.000 2.436 309 I HA 0.399 4.570 4.170 0.001 0.000 0.289 309 I C -0.699 175.482 176.117 0.107 0.000 1.010 309 I CA -0.897 60.423 61.300 0.033 0.000 1.098 309 I CB 2.160 40.131 38.000 -0.048 0.000 1.266 309 I HN 0.652 nan 8.210 nan 0.000 0.434 310 K N 6.294 126.726 120.400 0.053 0.000 2.201 310 K HA 0.609 4.929 4.320 0.001 0.000 0.278 310 K C -0.997 175.593 176.600 -0.017 0.000 1.027 310 K CA -0.266 56.038 56.287 0.028 0.000 0.909 310 K CB 0.941 33.464 32.500 0.040 0.000 1.062 310 K HN 0.465 nan 8.250 nan 0.000 0.465 311 I N 2.850 123.398 120.570 -0.037 0.000 2.412 311 I HA 0.550 4.720 4.170 0.001 0.000 0.296 311 I C 0.016 176.113 176.117 -0.034 0.000 0.987 311 I CA -0.438 60.839 61.300 -0.038 0.000 1.180 311 I CB 1.979 39.947 38.000 -0.054 0.000 1.340 311 I HN 0.799 nan 8.210 nan 0.000 0.455 312 G N 6.334 115.114 108.800 -0.033 0.000 2.957 312 G HA2 0.101 4.061 3.960 0.001 0.000 0.636 312 G HA3 0.101 4.061 3.960 0.001 0.000 0.636 312 G C -1.287 173.604 174.900 -0.015 0.000 1.401 312 G CA -0.972 44.110 45.100 -0.031 0.000 0.941 312 G HN 0.503 nan 8.290 nan 0.000 0.610 313 I N 2.102 122.663 120.570 -0.015 0.000 2.500 313 I HA 0.556 4.727 4.170 0.001 0.000 0.286 313 I C 1.126 177.249 176.117 0.010 0.000 1.063 313 I CA 0.267 61.572 61.300 0.008 0.000 1.062 313 I CB 1.716 39.726 38.000 0.018 0.000 1.223 313 I HN 1.935 nan 8.210 nan 0.000 0.435 314 G N 3.943 112.763 108.800 0.032 0.000 2.199 314 G HA2 -0.247 3.714 3.960 0.001 0.000 0.254 314 G HA3 -0.247 3.714 3.960 0.001 0.000 0.254 314 G C 0.982 175.893 174.900 0.018 0.000 0.982 314 G CA 0.310 45.430 45.100 0.033 0.000 0.632 314 G HN 0.867 nan 8.290 nan 0.000 0.529 315 G N 0.675 109.478 108.800 0.005 0.000 2.712 315 G HA2 0.445 4.405 3.960 0.001 0.000 0.212 315 G HA3 0.445 4.405 3.960 0.001 0.000 0.212 315 G C 1.121 176.042 174.900 0.034 0.000 1.142 315 G CA 1.006 46.105 45.100 -0.001 0.000 0.789 315 G HN 1.415 nan 8.290 nan 0.000 0.535 316 G N 0.702 109.533 108.800 0.051 0.000 2.414 316 G HA2 0.288 4.248 3.960 0.001 0.000 0.236 316 G HA3 0.288 4.248 3.960 0.001 0.000 0.236 316 G C 1.337 176.286 174.900 0.081 0.000 1.293 316 G CA 0.575 45.721 45.100 0.077 0.000 0.869 316 G HN 0.441 nan 8.290 nan 0.000 0.556 317 S N 1.681 117.449 115.700 0.113 0.000 2.383 317 S HA -0.244 4.226 4.470 0.001 0.000 0.229 317 S C 1.791 176.453 174.600 0.103 0.000 1.030 317 S CA 1.669 59.939 58.200 0.116 0.000 1.002 317 S CB -0.308 62.986 63.200 0.158 0.000 0.829 317 S HN 0.889 nan 8.310 nan 0.000 0.467 318 I N -0.584 120.037 120.570 0.084 0.000 3.904 318 I HA 0.453 4.624 4.170 0.001 0.000 0.333 318 I C 0.476 176.592 176.117 -0.001 0.000 1.361 318 I CA -1.746 59.551 61.300 -0.006 0.000 1.116 318 I CB -0.903 36.981 38.000 -0.193 0.000 1.028 318 I HN 0.314 nan 8.210 nan 0.000 0.398 319 C N 2.705 122.025 119.300 0.033 0.000 2.369 319 C HA 0.658 5.118 4.460 0.001 0.000 0.358 319 C C 1.276 176.291 174.990 0.041 0.000 1.274 319 C CA -0.752 58.294 59.018 0.047 0.000 1.935 319 C CB -0.193 27.588 27.740 0.069 0.000 2.431 319 C HN 0.612 nan 8.230 nan 0.000 0.545 320 I N 2.987 123.580 120.570 0.039 0.000 3.817 320 I HA 0.228 4.398 4.170 0.001 0.000 0.325 320 I C 1.172 177.314 176.117 0.042 0.000 1.550 320 I CA -0.081 61.237 61.300 0.031 0.000 1.100 320 I CB -0.333 37.678 38.000 0.017 0.000 1.216 320 I HN 0.525 nan 8.210 nan 0.000 0.481 321 T N 1.383 115.978 114.554 0.069 0.000 2.720 321 T HA -0.098 4.253 4.350 0.001 0.000 0.268 321 T C 1.926 176.665 174.700 0.064 0.000 1.037 321 T CA 1.816 63.974 62.100 0.096 0.000 1.144 321 T CB -0.226 68.730 68.868 0.146 0.000 0.864 321 T HN 0.470 nan 8.240 nan 0.000 0.444 322 R N 0.773 121.299 120.500 0.043 0.000 2.152 322 R HA -0.043 4.297 4.340 0.001 0.000 0.232 322 R C 2.238 178.543 176.300 0.008 0.000 1.117 322 R CA 1.131 57.244 56.100 0.022 0.000 0.981 322 R CB -0.104 30.202 30.300 0.010 0.000 0.870 322 R HN 0.545 nan 8.270 nan 0.000 0.451 323 E N -0.451 119.752 120.200 0.006 0.000 2.340 323 E HA -0.034 4.316 4.350 0.001 0.000 0.194 323 E C 1.850 178.432 176.600 -0.030 0.000 0.996 323 E CA 0.221 56.616 56.400 -0.010 0.000 0.869 323 E CB 0.399 30.095 29.700 -0.006 0.000 0.835 323 E HN 0.225 nan 8.360 nan 0.000 0.493 324 Q N 0.244 120.028 119.800 -0.027 0.000 2.226 324 Q HA 0.056 4.397 4.340 0.001 0.000 0.199 324 Q C 1.411 177.343 176.000 -0.114 0.000 0.945 324 Q CA 0.952 56.703 55.803 -0.086 0.000 0.861 324 Q CB 0.399 29.110 28.738 -0.045 0.000 0.953 324 Q HN 0.101 nan 8.270 nan 0.000 0.490 325 K N -1.332 119.055 120.400 -0.023 0.000 2.391 325 K HA 0.208 4.528 4.320 0.001 0.000 0.197 325 K C 0.729 177.332 176.600 0.005 0.000 1.087 325 K CA 0.537 56.824 56.287 -0.000 0.000 1.012 325 K CB 1.163 33.722 32.500 0.098 0.000 0.925 325 K HN 0.242 nan 8.250 nan 0.000 0.547 326 G N 2.802 111.605 108.800 0.005 0.000 2.147 326 G HA2 -0.245 3.716 3.960 0.001 0.000 0.244 326 G HA3 -0.245 3.716 3.960 0.001 0.000 0.244 326 G C 0.079 174.986 174.900 0.011 0.000 1.005 326 G CA 0.548 45.649 45.100 0.003 0.000 0.713 326 G HN 0.413 nan 8.290 nan 0.000 0.515 327 I N -2.792 117.794 120.570 0.026 0.000 2.648 327 I HA 0.969 5.139 4.170 0.001 0.000 0.304 327 I C 0.624 176.753 176.117 0.020 0.000 1.009 327 I CA -0.579 60.737 61.300 0.027 0.000 1.114 327 I CB 2.293 40.322 38.000 0.048 0.000 1.293 327 I HN 1.252 nan 8.210 nan 0.000 0.449 328 G N 3.306 112.108 108.800 0.003 0.000 2.346 328 G HA2 0.308 4.268 3.960 0.001 0.000 0.294 328 G HA3 0.308 4.268 3.960 0.001 0.000 0.294 328 G C -1.729 173.142 174.900 -0.049 0.000 1.294 328 G CA -0.980 44.112 45.100 -0.013 0.000 0.962 328 G HN 0.978 nan 8.290 nan 0.000 0.508 329 R N -1.004 119.455 120.500 -0.069 0.000 2.664 329 R HA 0.553 4.893 4.340 0.001 0.000 0.260 329 R C 0.332 176.561 176.300 -0.119 0.000 1.062 329 R CA -0.176 55.859 56.100 -0.108 0.000 0.902 329 R CB 1.223 31.448 30.300 -0.125 0.000 1.258 329 R HN 1.728 nan 8.270 nan 0.000 0.465 330 G N 1.823 110.541 108.800 -0.137 0.000 2.265 330 G HA2 -0.100 3.861 3.960 0.001 0.000 0.240 330 G HA3 -0.100 3.861 3.960 0.001 0.000 0.240 330 G C 0.527 175.301 174.900 -0.209 0.000 1.270 330 G CA -0.003 45.004 45.100 -0.155 0.000 0.901 330 G HN 0.717 nan 8.290 nan 0.000 0.507 331 Q N 2.709 122.324 119.800 -0.308 0.000 2.077 331 Q HA -0.158 4.182 4.340 0.001 0.000 0.206 331 Q C 2.714 178.425 176.000 -0.482 0.000 0.989 331 Q CA 2.688 58.247 55.803 -0.407 0.000 0.853 331 Q CB -0.383 28.017 28.738 -0.563 0.000 0.907 331 Q HN 0.706 nan 8.270 nan 0.000 0.418 332 A N -0.893 121.541 122.820 -0.644 0.000 1.877 332 A HA -0.197 4.124 4.320 0.001 0.000 0.216 332 A C 2.337 179.801 177.584 -0.201 0.000 1.186 332 A CA 2.064 53.830 52.037 -0.451 0.000 0.620 332 A CB -1.183 17.567 19.000 -0.416 0.000 0.822 332 A HN 0.498 nan 8.150 nan 0.000 0.443 333 T N 0.351 114.847 114.554 -0.097 0.000 2.720 333 T HA -0.060 4.290 4.350 0.001 0.000 0.268 333 T C 2.183 176.832 174.700 -0.085 0.000 1.037 333 T CA 1.651 63.729 62.100 -0.038 0.000 1.144 333 T CB -0.470 68.380 68.868 -0.030 0.000 0.864 333 T HN 0.613 nan 8.240 nan 0.000 0.444 334 A N 0.960 123.708 122.820 -0.120 0.000 1.877 334 A HA -0.062 4.259 4.320 0.001 0.000 0.216 334 A C 2.600 180.125 177.584 -0.097 0.000 1.186 334 A CA 1.509 53.483 52.037 -0.105 0.000 0.620 334 A CB -1.059 17.876 19.000 -0.108 0.000 0.822 334 A HN 0.352 nan 8.150 nan 0.000 0.443 335 V N 0.351 120.201 119.914 -0.106 0.000 2.295 335 V HA -0.295 3.826 4.120 0.001 0.000 0.246 335 V C 2.449 178.485 176.094 -0.096 0.000 1.049 335 V CA 2.152 64.398 62.300 -0.090 0.000 1.024 335 V CB -0.770 31.020 31.823 -0.055 0.000 0.648 335 V HN 0.579 nan 8.190 nan 0.000 0.447 336 I N 0.330 120.847 120.570 -0.090 0.000 2.208 336 I HA -0.270 3.900 4.170 0.001 0.000 0.245 336 I C 2.364 178.441 176.117 -0.067 0.000 1.097 336 I CA 2.103 63.360 61.300 -0.072 0.000 1.363 336 I CB -0.459 37.512 38.000 -0.049 0.000 1.051 336 I HN 0.379 nan 8.210 nan 0.000 0.413 337 D N 0.564 120.927 120.400 -0.063 0.000 2.097 337 D HA -0.125 4.515 4.640 0.001 0.000 0.197 337 D C 2.192 178.431 176.300 -0.101 0.000 0.984 337 D CA 1.095 55.063 54.000 -0.054 0.000 0.826 337 D CB 0.077 40.857 40.800 -0.034 0.000 0.973 337 D HN 0.056 nan 8.370 nan 0.000 0.460 338 V N -0.058 119.779 119.914 -0.129 0.000 2.343 338 V HA -0.192 3.929 4.120 0.001 0.000 0.247 338 V C 2.645 178.515 176.094 -0.374 0.000 1.051 338 V CA 1.175 63.344 62.300 -0.218 0.000 1.036 338 V CB -0.357 31.378 31.823 -0.147 0.000 0.654 338 V HN 0.128 nan 8.190 nan 0.000 0.451 339 V N 0.336 120.095 119.914 -0.258 0.000 2.343 339 V HA -0.268 3.853 4.120 0.001 0.000 0.247 339 V C 2.705 178.661 176.094 -0.230 0.000 1.051 339 V CA 1.995 64.143 62.300 -0.254 0.000 1.036 339 V CB -1.093 30.644 31.823 -0.144 0.000 0.654 339 V HN 0.567 nan 8.190 nan 0.000 0.451 340 A N -0.115 122.609 122.820 -0.160 0.000 1.902 340 A HA -0.271 4.049 4.320 0.001 0.000 0.217 340 A C 2.202 179.707 177.584 -0.131 0.000 1.181 340 A CA 2.151 54.127 52.037 -0.101 0.000 0.623 340 A CB -0.489 18.480 19.000 -0.053 0.000 0.818 340 A HN 0.557 nan 8.150 nan 0.000 0.443 341 E N -0.271 119.801 120.200 -0.213 0.000 2.106 341 E HA -0.157 4.193 4.350 0.001 0.000 0.192 341 E C 2.211 178.591 176.600 -0.367 0.000 0.984 341 E CA 1.081 57.353 56.400 -0.213 0.000 0.806 341 E CB -0.222 29.360 29.700 -0.195 0.000 0.750 341 E HN 0.408 nan 8.360 nan 0.000 0.458 342 R N 0.593 120.615 120.500 -0.797 0.000 2.096 342 R HA -0.107 4.233 4.340 0.001 0.000 0.235 342 R C 1.299 177.499 176.300 -0.167 0.000 1.127 342 R CA 1.565 57.174 56.100 -0.819 0.000 0.968 342 R CB -0.541 29.218 30.300 -0.901 0.000 0.861 342 R HN 0.232 nan 8.270 nan 0.000 0.440 343 N N 0.963 119.598 118.700 -0.108 0.000 2.270 343 N HA -0.096 4.644 4.740 0.001 0.000 0.181 343 N C 1.593 177.196 175.510 0.155 0.000 1.016 343 N CA 1.070 54.168 53.050 0.080 0.000 0.870 343 N CB -0.074 38.445 38.487 0.054 0.000 0.979 343 N HN 0.321 nan 8.380 nan 0.000 0.431 344 K N -0.203 120.252 120.400 0.091 0.000 2.062 344 K HA -0.100 4.221 4.320 0.001 0.000 0.205 344 K C 1.858 178.544 176.600 0.144 0.000 1.051 344 K CA 0.715 57.062 56.287 0.100 0.000 0.941 344 K CB -0.247 32.298 32.500 0.076 0.000 0.719 344 K HN 0.134 nan 8.250 nan 0.000 0.440 345 Y N 0.660 121.011 120.300 0.084 0.000 2.165 345 Y HA -0.279 4.271 4.550 0.001 0.000 0.286 345 Y C 2.052 178.037 175.900 0.142 0.000 1.155 345 Y CA 1.397 59.579 58.100 0.137 0.000 1.164 345 Y CB -0.235 38.394 38.460 0.282 0.000 0.978 345 Y HN 0.027 nan 8.280 nan 0.000 0.513 346 F N 1.183 121.212 119.950 0.132 0.000 2.102 346 F HA -0.169 4.359 4.527 0.001 0.000 0.298 346 F C 2.126 177.926 175.800 0.001 0.000 1.105 346 F CA 2.194 60.234 58.000 0.067 0.000 1.239 346 F CB -0.602 38.471 39.000 0.121 0.000 0.991 346 F HN 0.109 nan 8.300 nan 0.000 0.474 347 E N -0.182 119.954 120.200 -0.106 0.000 2.150 347 E HA -0.201 4.150 4.350 0.001 0.000 0.193 347 E C 2.050 178.520 176.600 -0.216 0.000 0.985 347 E CA 1.445 57.715 56.400 -0.217 0.000 0.814 347 E CB -0.157 29.515 29.700 -0.046 0.000 0.752 347 E HN 0.606 nan 8.360 nan 0.000 0.466 348 E N -0.365 119.727 120.200 -0.181 0.000 2.076 348 E HA -0.104 4.246 4.350 0.001 0.000 0.190 348 E C 2.085 178.530 176.600 -0.258 0.000 0.979 348 E CA 1.635 57.918 56.400 -0.194 0.000 0.807 348 E CB 0.128 29.719 29.700 -0.182 0.000 0.761 348 E HN 0.260 nan 8.360 nan 0.000 0.454 349 T N -3.875 110.464 114.554 -0.358 0.000 2.990 349 T HA 0.289 4.640 4.350 0.001 0.000 0.250 349 T C 1.564 176.123 174.700 -0.234 0.000 1.041 349 T CA 0.398 62.302 62.100 -0.326 0.000 1.010 349 T CB 0.876 69.444 68.868 -0.499 0.000 1.003 349 T HN 0.268 nan 8.240 nan 0.000 0.499 350 G N 1.616 110.224 108.800 -0.320 0.000 2.162 350 G HA2 -0.202 3.759 3.960 0.001 0.000 0.260 350 G HA3 -0.202 3.759 3.960 0.001 0.000 0.260 350 G C -0.022 174.861 174.900 -0.028 0.000 0.976 350 G CA 0.233 45.136 45.100 -0.328 0.000 0.655 350 G HN 0.668 nan 8.290 nan 0.000 0.533 351 I N 0.310 120.940 120.570 0.101 0.000 2.339 351 I HA 0.410 4.581 4.170 0.001 0.000 0.290 351 I C -0.116 176.276 176.117 0.459 0.000 0.994 351 I CA -1.213 60.237 61.300 0.251 0.000 1.191 351 I CB 1.291 39.408 38.000 0.195 0.000 1.343 351 I HN 0.120 nan 8.210 nan 0.000 0.458 352 Y N 7.795 128.117 120.300 0.038 0.000 2.367 352 Y HA 0.528 5.078 4.550 0.001 0.000 0.342 352 Y C -0.380 175.375 175.900 -0.242 0.000 0.979 352 Y CA -0.459 57.459 58.100 -0.304 0.000 1.161 352 Y CB 0.726 38.544 38.460 -1.069 0.000 1.155 352 Y HN 0.376 nan 8.280 nan 0.000 0.503 353 I N 9.840 130.187 120.570 -0.372 0.000 2.328 353 I HA 0.308 4.478 4.170 0.001 0.000 0.287 353 I C -2.340 173.642 176.117 -0.225 0.000 1.012 353 I CA -2.262 58.956 61.300 -0.135 0.000 1.195 353 I CB 1.259 39.268 38.000 0.015 0.000 1.350 353 I HN 0.493 nan 8.210 nan 0.000 0.464 354 P HA 0.067 nan 4.420 nan 0.000 0.269 354 P C -0.744 176.620 177.300 0.106 0.000 1.209 354 P CA -0.115 63.096 63.100 0.184 0.000 0.776 354 P CB 0.789 32.782 31.700 0.488 0.000 0.876 355 V N 0.463 120.338 119.914 -0.065 0.000 2.864 355 V HA 0.662 4.783 4.120 0.001 0.000 0.314 355 V C -0.775 175.023 176.094 -0.494 0.000 1.073 355 V CA -0.976 61.235 62.300 -0.148 0.000 0.956 355 V CB 1.771 33.533 31.823 -0.102 0.000 1.023 355 V HN 0.706 nan 8.190 nan 0.000 0.435 356 C N 3.226 122.213 119.300 -0.521 0.000 2.345 356 C HA 0.737 5.198 4.460 0.001 0.000 0.323 356 C C 0.529 175.347 174.990 -0.286 0.000 1.276 356 C CA 0.079 58.663 59.018 -0.723 0.000 1.543 356 C CB 0.728 27.957 27.740 -0.853 0.000 2.211 356 C HN 1.226 nan 8.230 nan 0.000 0.493 357 S N 3.884 119.462 115.700 -0.203 0.000 2.416 357 S HA 0.301 4.771 4.470 0.001 0.000 0.287 357 S C -0.551 174.037 174.600 -0.020 0.000 1.139 357 S CA -0.036 58.129 58.200 -0.058 0.000 1.058 357 S CB -0.094 63.119 63.200 0.021 0.000 0.967 357 S HN 0.875 nan 8.310 nan 0.000 0.495 358 D N 3.830 124.227 120.400 -0.005 0.000 2.392 358 D HA 0.614 5.255 4.640 0.001 0.000 0.228 358 D C 0.273 176.600 176.300 0.045 0.000 1.074 358 D CA 0.827 54.840 54.000 0.021 0.000 0.838 358 D CB 0.711 41.514 40.800 0.005 0.000 1.067 358 D HN 0.914 nan 8.370 nan 0.000 0.511 359 G N 1.868 110.711 108.800 0.071 0.000 2.690 359 G HA2 0.406 4.366 3.960 0.001 0.000 0.686 359 G HA3 0.406 4.366 3.960 0.001 0.000 0.686 359 G C 0.719 175.690 174.900 0.118 0.000 1.277 359 G CA 0.013 45.163 45.100 0.082 0.000 0.799 359 G HN 1.475 nan 8.290 nan 0.000 0.613 360 G N -0.958 107.908 108.800 0.111 0.000 2.176 360 G HA2 -0.119 3.841 3.960 0.001 0.000 0.253 360 G HA3 -0.119 3.841 3.960 0.001 0.000 0.253 360 G C 0.585 175.621 174.900 0.227 0.000 0.979 360 G CA 0.580 45.770 45.100 0.149 0.000 0.641 360 G HN 1.661 nan 8.290 nan 0.000 0.530 361 I N 1.857 122.504 120.570 0.128 0.000 2.505 361 I HA 0.202 4.373 4.170 0.001 0.000 0.287 361 I C 1.658 177.761 176.117 -0.024 0.000 1.104 361 I CA 0.319 61.630 61.300 0.020 0.000 1.387 361 I CB 0.936 38.850 38.000 -0.142 0.000 1.404 361 I HN -0.030 nan 8.210 nan 0.000 0.528 362 V N 7.196 127.103 119.914 -0.013 0.000 2.806 362 V HA 0.068 4.189 4.120 0.001 0.000 0.239 362 V C -0.067 175.607 176.094 -0.700 0.000 1.113 362 V CA 0.570 62.627 62.300 -0.404 0.000 1.137 362 V CB -0.141 31.335 31.823 -0.577 0.000 0.865 362 V HN 0.501 nan 8.190 nan 0.000 0.482 363 Y N 0.244 120.197 120.300 -0.579 0.000 2.528 363 Y HA 0.443 4.994 4.550 0.001 0.000 0.335 363 Y C 1.177 176.819 175.900 -0.430 0.000 1.093 363 Y CA -1.569 56.231 58.100 -0.500 0.000 1.134 363 Y CB 0.499 38.605 38.460 -0.590 0.000 1.253 363 Y HN -0.081 nan 8.280 nan 0.000 0.478 364 D N 0.396 120.788 120.400 -0.014 0.000 2.158 364 D HA -0.251 4.389 4.640 0.001 0.000 0.197 364 D C 1.828 178.101 176.300 -0.045 0.000 0.995 364 D CA 1.976 55.949 54.000 -0.044 0.000 0.846 364 D CB -0.376 40.449 40.800 0.042 0.000 0.941 364 D HN 0.798 nan 8.370 nan 0.000 0.456 365 Y N -0.215 120.060 120.300 -0.042 0.000 2.497 365 Y HA -0.098 4.452 4.550 0.001 0.000 0.292 365 Y C 1.917 177.833 175.900 0.026 0.000 1.137 365 Y CA 1.023 59.117 58.100 -0.011 0.000 1.285 365 Y CB -0.686 37.782 38.460 0.013 0.000 0.991 365 Y HN 0.016 nan 8.280 nan 0.000 0.556 366 H N 0.417 119.099 119.070 -0.647 0.000 2.423 366 H HA -0.072 4.485 4.556 0.001 0.000 0.297 366 H C 1.960 176.873 175.328 -0.691 0.000 1.075 366 H CA 1.628 57.198 56.048 -0.797 0.000 1.342 366 H CB -0.322 28.964 29.762 -0.794 0.000 1.395 366 H HN 0.496 nan 8.280 nan 0.000 0.530 367 M N -0.464 118.947 119.600 -0.315 0.000 2.086 367 M HA -0.150 4.331 4.480 0.001 0.000 0.261 367 M C 2.177 178.362 176.300 -0.192 0.000 1.067 367 M CA 1.961 57.097 55.300 -0.273 0.000 1.116 367 M CB -0.345 32.123 32.600 -0.220 0.000 1.348 367 M HN 0.136 nan 8.290 nan 0.000 0.407 368 T N 1.395 115.885 114.554 -0.107 0.000 2.720 368 T HA -0.112 4.239 4.350 0.001 0.000 0.268 368 T C 1.865 176.534 174.700 -0.052 0.000 1.037 368 T CA 1.190 63.265 62.100 -0.042 0.000 1.144 368 T CB -0.448 68.437 68.868 0.029 0.000 0.864 368 T HN 0.297 nan 8.240 nan 0.000 0.444 369 L N 0.738 121.915 121.223 -0.077 0.000 2.017 369 L HA -0.103 4.237 4.340 0.001 0.000 0.208 369 L C 3.130 179.930 176.870 -0.117 0.000 1.073 369 L CA 1.312 56.109 54.840 -0.072 0.000 0.745 369 L CB -0.774 41.252 42.059 -0.055 0.000 0.894 369 L HN 0.262 nan 8.230 nan 0.000 0.432 370 A N 0.248 122.918 122.820 -0.250 0.000 1.883 370 A HA -0.193 4.127 4.320 0.001 0.000 0.217 370 A C 2.242 179.784 177.584 -0.071 0.000 1.186 370 A CA 1.618 53.579 52.037 -0.128 0.000 0.624 370 A CB -0.779 18.084 19.000 -0.228 0.000 0.822 370 A HN 0.367 nan 8.150 nan 0.000 0.444 371 L N -0.900 120.275 121.223 -0.079 0.000 2.017 371 L HA -0.181 4.159 4.340 0.001 0.000 0.208 371 L C 3.103 179.959 176.870 -0.022 0.000 1.073 371 L CA 1.089 55.907 54.840 -0.037 0.000 0.745 371 L CB -0.651 41.392 42.059 -0.027 0.000 0.894 371 L HN 0.430 nan 8.230 nan 0.000 0.432 372 A N -0.165 122.640 122.820 -0.025 0.000 1.940 372 A HA -0.215 4.105 4.320 0.001 0.000 0.219 372 A C 2.244 179.816 177.584 -0.019 0.000 1.176 372 A CA 1.724 53.754 52.037 -0.012 0.000 0.631 372 A CB -0.534 18.464 19.000 -0.003 0.000 0.814 372 A HN 0.391 nan 8.150 nan 0.000 0.446 373 M N -1.632 117.945 119.600 -0.037 0.000 2.630 373 M HA 0.086 4.566 4.480 0.001 0.000 0.254 373 M C 1.456 177.732 176.300 -0.041 0.000 1.092 373 M CA 1.071 56.341 55.300 -0.050 0.000 1.087 373 M CB 0.142 32.698 32.600 -0.073 0.000 1.453 373 M HN 0.658 nan 8.290 nan 0.000 0.509 374 G N -0.484 108.299 108.800 -0.029 0.000 2.296 374 G HA2 -0.089 3.872 3.960 0.001 0.000 0.188 374 G HA3 -0.089 3.872 3.960 0.001 0.000 0.188 374 G C 0.168 175.050 174.900 -0.029 0.000 1.000 374 G CA -0.270 44.816 45.100 -0.024 0.000 0.672 374 G HN 0.617 nan 8.290 nan 0.000 0.483 375 A N 0.723 123.515 122.820 -0.046 0.000 2.477 375 A HA 0.520 4.840 4.320 0.001 0.000 0.246 375 A C 1.117 178.684 177.584 -0.030 0.000 1.078 375 A CA 0.945 52.935 52.037 -0.078 0.000 0.770 375 A CB 0.242 19.186 19.000 -0.093 0.000 1.011 375 A HN 0.249 nan 8.150 nan 0.000 0.494 376 D N 0.688 121.070 120.400 -0.029 0.000 2.183 376 D HA 0.123 4.764 4.640 0.001 0.000 0.205 376 D C 0.080 176.521 176.300 0.236 0.000 0.962 376 D CA 1.519 55.604 54.000 0.143 0.000 0.849 376 D CB 0.071 41.045 40.800 0.291 0.000 0.978 376 D HN 0.624 nan 8.370 nan 0.000 0.488 377 F N -0.649 119.298 119.950 -0.004 0.000 2.685 377 F HA 0.594 5.121 4.527 0.001 0.000 0.315 377 F C -1.270 174.516 175.800 -0.023 0.000 1.126 377 F CA -1.486 56.500 58.000 -0.022 0.000 0.950 377 F CB 0.977 39.954 39.000 -0.038 0.000 1.360 377 F HN -0.396 nan 8.300 nan 0.000 0.469 378 I N 2.566 123.243 120.570 0.178 0.000 2.465 378 I HA 0.455 4.626 4.170 0.001 0.000 0.291 378 I C -0.809 175.403 176.117 0.159 0.000 1.014 378 I CA -0.825 60.512 61.300 0.062 0.000 1.093 378 I CB 2.110 40.098 38.000 -0.021 0.000 1.267 378 I HN 0.739 nan 8.210 nan 0.000 0.431 379 M N 7.041 126.710 119.600 0.116 0.000 2.180 379 M HA 0.619 5.100 4.480 0.001 0.000 0.350 379 M C -1.906 174.483 176.300 0.149 0.000 1.125 379 M CA -0.444 54.959 55.300 0.172 0.000 1.031 379 M CB 1.047 33.718 32.600 0.118 0.000 1.623 379 M HN 0.439 nan 8.290 nan 0.000 0.451 380 L N 4.117 125.488 121.223 0.245 0.000 2.401 380 L HA 0.720 5.061 4.340 0.001 0.000 0.266 380 L C 0.450 177.489 176.870 0.281 0.000 0.991 380 L CA -0.246 54.705 54.840 0.186 0.000 0.818 380 L CB 2.016 44.085 42.059 0.016 0.000 1.321 380 L HN 0.852 nan 8.230 nan 0.000 0.413 381 G N 0.072 108.960 108.800 0.147 0.000 2.805 381 G HA2 0.037 3.998 3.960 0.001 0.000 0.214 381 G HA3 0.037 3.998 3.960 0.001 0.000 0.214 381 G C 1.277 176.015 174.900 -0.269 0.000 1.220 381 G CA 0.081 45.250 45.100 0.115 0.000 0.854 381 G HN 0.532 nan 8.290 nan 0.000 0.623 382 R N -0.723 119.513 120.500 -0.440 0.000 2.113 382 R HA -0.208 4.132 4.340 0.001 0.000 0.244 382 R C 2.220 178.189 176.300 -0.551 0.000 1.142 382 R CA 2.000 57.650 56.100 -0.750 0.000 0.953 382 R CB -0.655 29.451 30.300 -0.323 0.000 0.860 382 R HN 0.393 nan 8.270 nan 0.000 0.438 383 Y N 0.130 120.120 120.300 -0.516 0.000 2.102 383 Y HA -0.281 4.270 4.550 0.001 0.000 0.280 383 Y C 1.680 176.956 175.900 -1.040 0.000 1.178 383 Y CA 2.241 59.938 58.100 -0.671 0.000 1.146 383 Y CB -0.478 37.583 38.460 -0.664 0.000 0.968 383 Y HN 0.074 nan 8.280 nan 0.000 0.504 384 F N -1.031 118.577 119.950 -0.570 0.000 2.416 384 F HA 0.086 4.613 4.527 0.001 0.000 0.296 384 F C 2.471 177.878 175.800 -0.655 0.000 1.099 384 F CA 0.433 58.029 58.000 -0.672 0.000 1.427 384 F CB -0.555 38.381 39.000 -0.107 0.000 1.079 384 F HN 0.087 nan 8.300 nan 0.000 0.536 385 A N 0.629 123.197 122.820 -0.420 0.000 2.019 385 A HA -0.179 4.142 4.320 0.001 0.000 0.219 385 A C 2.090 179.489 177.584 -0.309 0.000 1.164 385 A CA 1.269 53.089 52.037 -0.363 0.000 0.644 385 A CB -0.606 18.003 19.000 -0.651 0.000 0.805 385 A HN 0.340 nan 8.150 nan 0.000 0.449 386 R N -1.539 118.647 120.500 -0.523 0.000 2.280 386 R HA 0.072 4.412 4.340 0.001 0.000 0.207 386 R C -0.437 175.770 176.300 -0.155 0.000 1.043 386 R CA 0.064 55.950 56.100 -0.357 0.000 1.006 386 R CB -0.119 29.882 30.300 -0.498 0.000 0.885 386 R HN 0.449 nan 8.270 nan 0.000 0.467 387 F N 0.698 120.592 119.950 -0.093 0.000 2.380 387 F HA 0.082 4.609 4.527 0.000 0.000 0.325 387 F C 1.782 177.644 175.800 0.103 0.000 1.136 387 F CA -1.637 56.325 58.000 -0.064 0.000 1.171 387 F CB 0.489 39.453 39.000 -0.060 0.000 1.230 387 F HN -0.188 nan 8.300 nan 0.000 0.554 388 E N 0.967 121.395 120.200 0.380 0.000 2.130 388 E HA -0.237 4.113 4.350 0.001 0.000 0.196 388 E C 1.397 178.117 176.600 0.200 0.000 0.998 388 E CA 1.803 58.410 56.400 0.344 0.000 0.806 388 E CB -0.051 29.805 29.700 0.261 0.000 0.738 388 E HN 0.621 nan 8.360 nan 0.000 0.459 389 E N 0.172 120.476 120.200 0.173 0.000 2.418 389 E HA 0.001 4.352 4.350 0.001 0.000 0.197 389 E C 0.349 177.006 176.600 0.094 0.000 1.026 389 E CA 0.622 57.084 56.400 0.103 0.000 0.862 389 E CB -0.085 29.652 29.700 0.061 0.000 0.799 389 E HN 0.278 nan 8.360 nan 0.000 0.518 390 S N 1.124 116.897 115.700 0.122 0.000 2.572 390 S HA 0.075 4.546 4.470 0.001 0.000 0.279 390 S C -1.552 173.085 174.600 0.061 0.000 1.341 390 S CA -1.087 57.153 58.200 0.066 0.000 1.043 390 S CB 0.872 64.093 63.200 0.035 0.000 0.887 390 S HN -0.056 nan 8.310 nan 0.000 0.516 391 P HA 0.040 nan 4.420 nan 0.000 0.247 391 P C 0.599 177.949 177.300 0.083 0.000 1.225 391 P CA 0.359 63.498 63.100 0.064 0.000 0.768 391 P CB -0.631 31.113 31.700 0.075 0.000 1.020 392 T N -2.382 112.218 114.554 0.076 0.000 2.881 392 T HA 0.464 4.814 4.350 0.001 0.000 0.278 392 T C 0.349 175.132 174.700 0.138 0.000 0.982 392 T CA -0.857 61.330 62.100 0.145 0.000 0.989 392 T CB 1.313 70.272 68.868 0.152 0.000 1.058 392 T HN -0.097 nan 8.240 nan 0.000 0.529 393 R N 0.525 121.122 120.500 0.163 0.000 2.490 393 R HA 0.409 4.750 4.340 0.001 0.000 0.278 393 R C 0.116 176.478 176.300 0.105 0.000 1.069 393 R CA -0.602 55.567 56.100 0.115 0.000 1.080 393 R CB 0.640 31.009 30.300 0.114 0.000 1.030 393 R HN 0.539 nan 8.270 nan 0.000 0.491 394 K N 1.540 121.960 120.400 0.032 0.000 2.201 394 K HA 0.359 4.680 4.320 0.001 0.000 0.278 394 K C -0.881 175.717 176.600 -0.003 0.000 1.027 394 K CA -0.403 55.872 56.287 -0.021 0.000 0.909 394 K CB 1.485 33.879 32.500 -0.177 0.000 1.062 394 K HN 0.197 nan 8.250 nan 0.000 0.465 395 V N 2.007 121.927 119.914 0.010 0.000 2.789 395 V HA 0.220 4.341 4.120 0.001 0.000 0.311 395 V C -0.381 175.658 176.094 -0.093 0.000 1.073 395 V CA -0.945 61.339 62.300 -0.027 0.000 0.921 395 V CB 2.341 34.168 31.823 0.007 0.000 1.009 395 V HN 0.745 nan 8.190 nan 0.000 0.426 396 T N 5.340 119.836 114.554 -0.097 0.000 2.743 396 T HA 0.630 4.980 4.350 0.001 0.000 0.293 396 T C -0.471 174.142 174.700 -0.145 0.000 0.945 396 T CA 0.083 62.124 62.100 -0.098 0.000 1.030 396 T CB 0.317 69.147 68.868 -0.063 0.000 0.912 396 T HN 0.318 nan 8.240 nan 0.000 0.483 397 I N 4.603 125.074 120.570 -0.164 0.000 2.420 397 I HA 0.325 4.496 4.170 0.001 0.000 0.282 397 I C 0.126 176.187 176.117 -0.093 0.000 1.019 397 I CA -0.399 60.791 61.300 -0.183 0.000 1.130 397 I CB 0.843 38.657 38.000 -0.311 0.000 1.262 397 I HN 0.549 nan 8.210 nan 0.000 0.454 398 N N 5.295 123.956 118.700 -0.064 0.000 2.746 398 N HA -0.185 4.555 4.740 0.001 0.000 0.250 398 N C 1.058 176.554 175.510 -0.023 0.000 1.055 398 N CA 1.052 54.082 53.050 -0.034 0.000 0.699 398 N CB -0.945 37.528 38.487 -0.023 0.000 0.919 398 N HN 1.154 nan 8.380 nan 0.000 0.548 399 G N -1.679 107.106 108.800 -0.025 0.000 2.189 399 G HA2 -0.335 3.626 3.960 0.001 0.000 0.267 399 G HA3 -0.335 3.626 3.960 0.001 0.000 0.267 399 G C -0.014 174.881 174.900 -0.008 0.000 0.975 399 G CA 0.767 45.858 45.100 -0.014 0.000 0.644 399 G HN 0.591 nan 8.290 nan 0.000 0.537 400 S N -0.408 115.283 115.700 -0.014 0.000 2.454 400 S HA 0.596 5.066 4.470 0.001 0.000 0.306 400 S C 0.272 174.870 174.600 -0.003 0.000 1.100 400 S CA -0.566 57.636 58.200 0.003 0.000 1.087 400 S CB 2.446 65.651 63.200 0.009 0.000 1.019 400 S HN 0.607 nan 8.310 nan 0.000 0.480 401 V N 5.637 125.568 119.914 0.029 0.000 2.470 401 V HA 0.282 4.403 4.120 0.001 0.000 0.276 401 V C 0.165 176.305 176.094 0.076 0.000 1.040 401 V CA 0.202 62.515 62.300 0.022 0.000 1.008 401 V CB 0.092 31.929 31.823 0.023 0.000 0.990 401 V HN 0.766 nan 8.190 nan 0.000 0.477 402 M N 4.561 124.185 119.600 0.040 0.000 2.796 402 M HA 0.662 5.142 4.480 0.001 0.000 0.303 402 M C -0.626 175.762 176.300 0.146 0.000 1.240 402 M CA -0.902 54.462 55.300 0.106 0.000 0.831 402 M CB 2.237 34.873 32.600 0.060 0.000 1.750 402 M HN 0.397 nan 8.290 nan 0.000 0.484 403 K N 0.654 121.185 120.400 0.218 0.000 2.426 403 K HA 0.477 4.798 4.320 0.001 0.000 0.251 403 K C -0.977 175.805 176.600 0.303 0.000 0.941 403 K CA -0.698 55.721 56.287 0.221 0.000 0.808 403 K CB 2.556 35.163 32.500 0.177 0.000 1.265 403 K HN 0.585 nan 8.250 nan 0.000 0.432 404 E N 1.259 121.644 120.200 0.309 0.000 2.373 404 E HA 0.089 4.440 4.350 0.001 0.000 0.267 404 E C -1.184 175.593 176.600 0.295 0.000 1.032 404 E CA 0.042 56.636 56.400 0.323 0.000 0.889 404 E CB 0.555 30.509 29.700 0.423 0.000 0.984 404 E HN 0.307 nan 8.360 nan 0.000 0.425 405 Y N 3.290 123.648 120.300 0.097 0.000 2.358 405 Y HA 0.338 4.889 4.550 0.001 0.000 0.324 405 Y C -2.091 173.846 175.900 0.062 0.000 1.123 405 Y CA -1.279 56.775 58.100 -0.076 0.000 1.067 405 Y CB 0.673 39.086 38.460 -0.079 0.000 1.230 405 Y HN 0.620 nan 8.280 nan 0.000 0.429 406 W N 4.437 125.445 121.300 -0.487 0.000 2.950 406 W HA 0.906 5.566 4.660 0.000 0.000 0.340 406 W C -0.493 175.723 176.519 -0.504 0.000 1.139 406 W CA -1.727 55.343 57.345 -0.458 0.000 1.188 406 W CB 0.955 30.264 29.460 -0.252 0.000 1.426 406 W HN 0.895 nan 8.180 nan 0.000 0.531 407 G N 1.274 109.987 108.800 -0.146 0.000 2.503 407 G HA2 0.181 4.141 3.960 0.001 0.000 0.257 407 G HA3 0.181 4.141 3.960 0.001 0.000 0.257 407 G C 0.419 175.355 174.900 0.060 0.000 1.214 407 G CA -0.489 44.541 45.100 -0.118 0.000 0.839 407 G HN 0.687 nan 8.290 nan 0.000 0.559 408 E N 1.314 121.552 120.200 0.064 0.000 2.338 408 E HA -0.066 4.284 4.350 0.001 0.000 0.197 408 E C 2.223 178.961 176.600 0.229 0.000 1.007 408 E CA 0.846 57.333 56.400 0.144 0.000 0.849 408 E CB 0.117 29.883 29.700 0.109 0.000 0.774 408 E HN 0.545 nan 8.360 nan 0.000 0.506 409 G N 1.254 110.172 108.800 0.197 0.000 3.141 409 G HA2 -0.020 3.940 3.960 0.001 0.000 0.218 409 G HA3 -0.020 3.940 3.960 0.001 0.000 0.218 409 G C 0.592 175.445 174.900 -0.079 0.000 1.170 409 G CA 0.150 45.225 45.100 -0.041 0.000 0.769 409 G HN 0.194 nan 8.290 nan 0.000 0.546 410 S N -0.256 115.454 115.700 0.016 0.000 2.632 410 S HA 0.367 4.838 4.470 0.001 0.000 0.271 410 S C 1.708 176.296 174.600 -0.019 0.000 1.260 410 S CA 0.430 58.626 58.200 -0.007 0.000 1.010 410 S CB 1.719 64.929 63.200 0.018 0.000 0.965 410 S HN 0.353 nan 8.310 nan 0.000 0.534 411 S N 1.019 116.691 115.700 -0.048 0.000 2.442 411 S HA -0.193 4.277 4.470 0.001 0.000 0.236 411 S C 1.786 176.336 174.600 -0.084 0.000 1.007 411 S CA 0.891 59.060 58.200 -0.053 0.000 0.965 411 S CB -0.613 62.553 63.200 -0.057 0.000 0.773 411 S HN 0.825 nan 8.310 nan 0.000 0.504 412 R N 1.392 121.800 120.500 -0.154 0.000 2.075 412 R HA 0.046 4.387 4.340 0.001 0.000 0.232 412 R C 2.387 178.557 176.300 -0.216 0.000 1.126 412 R CA 1.318 57.234 56.100 -0.305 0.000 0.963 412 R CB -0.650 29.272 30.300 -0.631 0.000 0.858 412 R HN 0.512 nan 8.270 nan 0.000 0.435 413 A N 0.303 123.105 122.820 -0.031 0.000 1.903 413 A HA 0.052 4.372 4.320 0.001 0.000 0.213 413 A C 0.906 178.558 177.584 0.114 0.000 1.185 413 A CA 0.865 52.993 52.037 0.152 0.000 0.628 413 A CB -0.003 19.181 19.000 0.308 0.000 0.830 413 A HN 0.472 nan 8.150 nan 0.000 0.446 414 R N -1.096 119.462 120.500 0.096 0.000 3.525 414 R HA -0.152 4.188 4.340 0.001 0.000 0.276 414 R C -0.363 176.049 176.300 0.187 0.000 1.116 414 R CA 0.603 56.783 56.100 0.134 0.000 0.745 414 R CB -2.047 28.329 30.300 0.125 0.000 1.185 414 R HN 0.530 nan 8.270 nan 0.000 0.454 415 N N 1.435 120.224 118.700 0.149 0.000 3.050 415 N HA -0.044 4.697 4.740 0.001 0.000 0.289 415 N C 1.182 176.749 175.510 0.095 0.000 1.209 415 N CA -0.308 52.777 53.050 0.058 0.000 1.154 415 N CB -0.007 38.523 38.487 0.072 0.000 1.444 415 N HN 0.476 nan 8.380 nan 0.000 0.529 416 W N 1.993 123.344 121.300 0.086 0.000 2.425 416 W HA -0.109 4.551 4.660 0.001 0.000 0.277 416 W C 0.556 177.106 176.519 0.052 0.000 1.231 416 W CA 0.131 57.520 57.345 0.073 0.000 1.248 416 W CB -0.507 28.947 29.460 -0.010 0.000 1.117 416 W HN 0.306 nan 8.180 nan 0.000 0.568 417 Q N 1.139 120.438 119.800 -0.835 0.000 2.124 417 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 417 Q C 2.392 178.189 176.000 -0.339 0.000 0.977 417 Q CA 2.365 57.714 55.803 -0.758 0.000 0.850 417 Q CB -0.708 27.505 28.738 -0.874 0.000 0.901 417 Q HN 0.328 nan 8.270 nan 0.000 0.429 418 R N -0.548 119.774 120.500 -0.297 0.000 2.152 418 R HA -0.145 4.195 4.340 0.001 0.000 0.232 418 R C 0.444 176.372 176.300 -0.619 0.000 1.117 418 R CA 1.150 56.987 56.100 -0.438 0.000 0.981 418 R CB 0.124 30.110 30.300 -0.523 0.000 0.870 418 R HN 0.348 nan 8.270 nan 0.000 0.451 419 Y N -0.500 119.770 120.300 -0.050 0.000 2.612 419 Y HA 0.229 4.779 4.550 0.001 0.000 0.250 419 Y C -0.352 175.542 175.900 -0.010 0.000 1.175 419 Y CA -1.087 56.998 58.100 -0.026 0.000 1.205 419 Y CB 0.207 38.636 38.460 -0.053 0.000 1.201 419 Y HN -0.020 nan 8.280 nan 0.000 0.532 420 D N 1.217 121.658 120.400 0.068 0.000 2.458 420 D HA 0.059 4.699 4.640 0.001 0.000 0.243 420 D C 0.159 176.453 176.300 -0.010 0.000 1.146 420 D CA 0.841 54.874 54.000 0.055 0.000 0.877 420 D CB 0.759 41.546 40.800 -0.021 0.000 1.176 420 D HN 0.286 nan 8.370 nan 0.000 0.461 421 L N 3.211 124.449 121.223 0.025 0.000 3.288 421 L HA 0.323 4.664 4.340 0.001 0.000 0.293 421 L C 1.355 178.292 176.870 0.113 0.000 1.294 421 L CA -0.111 54.787 54.840 0.098 0.000 1.006 421 L CB 0.328 42.461 42.059 0.123 0.000 1.407 421 L HN 0.784 nan 8.230 nan 0.000 0.592 422 G N -0.262 108.492 108.800 -0.077 0.000 2.143 422 G HA2 -0.247 3.714 3.960 0.001 0.000 0.249 422 G HA3 -0.247 3.714 3.960 0.001 0.000 0.249 422 G C 0.534 175.438 174.900 0.007 0.000 0.981 422 G CA 0.093 45.165 45.100 -0.047 0.000 0.665 422 G HN 0.543 nan 8.290 nan 0.000 0.528 423 G N -0.505 108.291 108.800 -0.006 0.000 2.630 423 G HA2 0.572 4.532 3.960 0.001 0.000 0.223 423 G HA3 0.572 4.532 3.960 0.001 0.000 0.223 423 G C 0.257 175.101 174.900 -0.094 0.000 1.434 423 G CA -0.408 44.678 45.100 -0.025 0.000 1.057 423 G HN 0.456 nan 8.290 nan 0.000 0.570 424 K N 0.355 120.674 120.400 -0.135 0.000 2.355 424 K HA 0.084 4.404 4.320 0.001 0.000 0.270 424 K C 0.299 176.619 176.600 -0.467 0.000 1.003 424 K CA 0.199 56.341 56.287 -0.242 0.000 0.957 424 K CB 0.759 33.138 32.500 -0.202 0.000 0.939 424 K HN 0.366 nan 8.250 nan 0.000 0.482 425 Q N 3.332 122.691 119.800 -0.736 0.000 3.047 425 Q HA -0.031 4.310 4.340 0.001 0.000 0.273 425 Q C -0.527 174.472 176.000 -1.667 0.000 1.243 425 Q CA 0.416 55.187 55.803 -1.719 0.000 0.929 425 Q CB -0.478 27.477 28.738 -1.305 0.000 1.721 425 Q HN 0.382 nan 8.270 nan 0.000 0.471 426 K N -1.326 118.476 120.400 -0.997 0.000 2.579 426 K HA 0.362 4.682 4.320 0.001 0.000 0.284 426 K C -1.430 175.068 176.600 -0.169 0.000 0.990 426 K CA -1.168 54.805 56.287 -0.523 0.000 0.880 426 K CB 0.870 33.169 32.500 -0.335 0.000 1.488 426 K HN -0.055 nan 8.250 nan 0.000 0.425 427 L N 2.488 123.682 121.223 -0.049 0.000 2.369 427 L HA 0.172 4.513 4.340 0.001 0.000 0.279 427 L C 0.879 177.642 176.870 -0.178 0.000 1.108 427 L CA 0.648 55.444 54.840 -0.074 0.000 0.852 427 L CB 0.907 42.938 42.059 -0.046 0.000 1.169 427 L HN 0.857 nan 8.230 nan 0.000 0.452 428 S N 4.807 120.319 115.700 -0.312 0.000 2.382 428 S HA 0.008 4.479 4.470 0.001 0.000 0.228 428 S C -0.089 174.428 174.600 -0.138 0.000 1.027 428 S CA 1.288 59.323 58.200 -0.275 0.000 0.991 428 S CB -0.301 62.667 63.200 -0.386 0.000 0.823 428 S HN 0.597 nan 8.310 nan 0.000 0.469 429 F N -1.086 118.829 119.950 -0.058 0.000 2.744 429 F HA 0.534 5.062 4.527 0.001 0.000 0.311 429 F C -1.052 174.676 175.800 -0.120 0.000 1.144 429 F CA -1.579 56.378 58.000 -0.072 0.000 0.938 429 F CB 0.658 39.622 39.000 -0.059 0.000 1.292 429 F HN -0.293 nan 8.300 nan 0.000 0.444 430 E N 0.940 121.220 120.200 0.133 0.000 2.373 430 E HA 0.201 4.551 4.350 0.001 0.000 0.267 430 E C -0.389 176.231 176.600 0.033 0.000 1.032 430 E CA -0.008 56.395 56.400 0.005 0.000 0.889 430 E CB 0.982 30.684 29.700 0.003 0.000 0.984 430 E HN 0.755 nan 8.360 nan 0.000 0.425 431 E N 0.922 121.040 120.200 -0.136 0.000 2.676 431 E HA 0.201 4.552 4.350 0.001 0.000 0.222 431 E C 0.075 176.644 176.600 -0.052 0.000 0.968 431 E CA -0.314 56.025 56.400 -0.103 0.000 1.090 431 E CB 1.433 30.952 29.700 -0.302 0.000 1.066 431 E HN 0.531 nan 8.360 nan 0.000 0.496 432 G N 0.909 109.679 108.800 -0.050 0.000 2.690 432 G HA2 0.533 4.494 3.960 0.001 0.000 0.291 432 G HA3 0.533 4.494 3.960 0.001 0.000 0.291 432 G C -0.833 174.056 174.900 -0.018 0.000 1.403 432 G CA -0.544 44.548 45.100 -0.014 0.000 0.864 432 G HN 0.032 nan 8.290 nan 0.000 0.480 433 V N -1.955 117.945 119.914 -0.023 0.000 3.113 433 V HA 0.845 4.966 4.120 0.001 0.000 0.316 433 V C -1.091 174.987 176.094 -0.027 0.000 1.125 433 V CA -1.084 61.200 62.300 -0.025 0.000 1.026 433 V CB 2.112 33.924 31.823 -0.019 0.000 1.080 433 V HN 0.619 nan 8.190 nan 0.000 0.444 434 D N 1.148 121.524 120.400 -0.040 0.000 2.193 434 D HA 0.745 5.385 4.640 0.001 0.000 0.244 434 D C -0.148 176.086 176.300 -0.111 0.000 1.064 434 D CA 0.554 54.525 54.000 -0.049 0.000 0.845 434 D CB 1.764 42.488 40.800 -0.127 0.000 1.148 434 D HN 1.210 nan 8.370 nan 0.000 0.464 435 S N 1.946 117.567 115.700 -0.132 0.000 2.790 435 S HA 0.625 5.095 4.470 0.001 0.000 0.292 435 S C -1.446 172.981 174.600 -0.288 0.000 1.197 435 S CA -0.847 57.242 58.200 -0.184 0.000 0.851 435 S CB 0.727 63.932 63.200 0.008 0.000 1.217 435 S HN 0.384 nan 8.310 nan 0.000 0.526 436 Y N -0.064 120.321 120.300 0.142 0.000 2.462 436 Y HA 0.697 5.248 4.550 0.002 0.000 0.346 436 Y C -0.136 175.834 175.900 0.115 0.000 0.976 436 Y CA -0.973 57.207 58.100 0.133 0.000 1.044 436 Y CB 2.334 40.851 38.460 0.094 0.000 1.230 436 Y HN 0.759 nan 8.280 nan 0.000 0.455 437 V N 0.002 120.070 119.914 0.256 0.000 2.914 437 V HA 0.726 4.846 4.120 0.001 0.000 0.314 437 V C -2.881 173.274 176.094 0.102 0.000 1.084 437 V CA -3.137 59.235 62.300 0.121 0.000 0.963 437 V CB 2.025 33.845 31.823 -0.005 0.000 1.025 437 V HN 0.530 nan 8.190 nan 0.000 0.432 438 P HA 0.073 nan 4.420 nan 0.000 0.268 438 P C -1.111 176.234 177.300 0.075 0.000 1.204 438 P CA 0.214 63.354 63.100 0.067 0.000 0.768 438 P CB 0.337 32.058 31.700 0.034 0.000 0.842 439 Y N 3.257 123.560 120.300 0.005 0.000 2.465 439 Y HA 0.286 4.836 4.550 0.000 0.000 0.331 439 Y C 0.934 176.850 175.900 0.025 0.000 1.102 439 Y CA -0.066 58.043 58.100 0.015 0.000 1.358 439 Y CB 0.524 39.001 38.460 0.028 0.000 1.213 439 Y HN 0.514 nan 8.280 nan 0.000 0.525 440 A N 4.319 126.847 122.820 -0.487 0.000 2.431 440 A HA 0.596 4.916 4.320 0.001 0.000 0.239 440 A C 1.135 178.431 177.584 -0.480 0.000 1.230 440 A CA 0.489 52.319 52.037 -0.345 0.000 0.928 440 A CB -0.716 18.235 19.000 -0.082 0.000 1.006 440 A HN 1.610 nan 8.150 nan 0.000 0.520 441 G N 0.126 108.303 108.800 -1.038 0.000 2.445 441 G HA2 -0.130 3.830 3.960 0.001 0.000 0.212 441 G HA3 -0.130 3.830 3.960 0.001 0.000 0.212 441 G C -0.564 174.172 174.900 -0.273 0.000 1.217 441 G CA -0.410 44.327 45.100 -0.604 0.000 1.002 441 G HN 0.385 nan 8.290 nan 0.000 0.574 442 K N 0.361 120.623 120.400 -0.229 0.000 2.218 442 K HA 0.423 4.743 4.320 0.001 0.000 0.276 442 K C 1.590 177.843 176.600 -0.580 0.000 1.022 442 K CA -0.139 55.999 56.287 -0.248 0.000 0.946 442 K CB 1.975 34.386 32.500 -0.149 0.000 1.000 442 K HN 0.514 nan 8.250 nan 0.000 0.468 443 L N 3.569 124.417 121.223 -0.624 0.000 2.012 443 L HA -0.262 4.078 4.340 0.001 0.000 0.210 443 L C 2.589 179.139 176.870 -0.534 0.000 1.073 443 L CA 1.826 56.111 54.840 -0.924 0.000 0.748 443 L CB -0.201 41.694 42.059 -0.274 0.000 0.891 443 L HN 0.697 nan 8.230 nan 0.000 0.431 444 K N -0.275 119.954 120.400 -0.285 0.000 2.034 444 K HA -0.269 4.051 4.320 0.001 0.000 0.214 444 K C 1.712 178.208 176.600 -0.173 0.000 1.051 444 K CA 2.332 58.516 56.287 -0.172 0.000 0.931 444 K CB -0.269 32.161 32.500 -0.116 0.000 0.715 444 K HN 0.469 nan 8.250 nan 0.000 0.446 445 D N 0.278 120.555 120.400 -0.204 0.000 2.117 445 D HA -0.145 4.496 4.640 0.001 0.000 0.197 445 D C 1.760 177.960 176.300 -0.168 0.000 0.987 445 D CA 0.912 54.816 54.000 -0.159 0.000 0.829 445 D CB -0.372 40.340 40.800 -0.148 0.000 0.961 445 D HN 0.337 nan 8.370 nan 0.000 0.460 446 N N 0.541 119.062 118.700 -0.299 0.000 2.135 446 N HA -0.087 4.653 4.740 0.001 0.000 0.186 446 N C 2.096 177.584 175.510 -0.036 0.000 1.027 446 N CA 0.536 53.455 53.050 -0.220 0.000 0.849 446 N CB -0.016 38.193 38.487 -0.463 0.000 1.002 446 N HN 0.037 nan 8.380 nan 0.000 0.425 447 V N 1.916 121.795 119.914 -0.060 0.000 2.407 447 V HA -0.200 3.920 4.120 0.001 0.000 0.248 447 V C 2.433 178.554 176.094 0.046 0.000 1.055 447 V CA 1.552 63.915 62.300 0.105 0.000 1.049 447 V CB -0.496 31.395 31.823 0.113 0.000 0.662 447 V HN 0.384 nan 8.190 nan 0.000 0.455 448 E N 0.407 120.602 120.200 -0.008 0.000 2.051 448 E HA -0.230 4.121 4.350 0.001 0.000 0.192 448 E C 2.243 178.845 176.600 0.003 0.000 0.991 448 E CA 1.445 57.840 56.400 -0.008 0.000 0.799 448 E CB -0.239 29.445 29.700 -0.028 0.000 0.748 448 E HN 0.551 nan 8.360 nan 0.000 0.449 449 A N 0.561 123.382 122.820 0.002 0.000 1.902 449 A HA -0.163 4.157 4.320 0.001 0.000 0.217 449 A C 2.402 180.006 177.584 0.034 0.000 1.181 449 A CA 1.850 53.894 52.037 0.013 0.000 0.623 449 A CB -0.640 18.365 19.000 0.008 0.000 0.818 449 A HN 0.303 nan 8.150 nan 0.000 0.443 450 S N 0.006 115.745 115.700 0.064 0.000 2.348 450 S HA -0.100 4.370 4.470 0.001 0.000 0.221 450 S C 1.793 176.403 174.600 0.017 0.000 1.033 450 S CA 1.552 59.788 58.200 0.059 0.000 1.010 450 S CB -0.493 62.761 63.200 0.091 0.000 0.891 450 S HN 0.508 nan 8.310 nan 0.000 0.442 451 L N 1.712 122.944 121.223 0.015 0.000 2.275 451 L HA -0.074 4.267 4.340 0.001 0.000 0.215 451 L C 2.020 178.893 176.870 0.004 0.000 1.119 451 L CA 0.632 55.473 54.840 0.002 0.000 0.790 451 L CB -0.674 41.389 42.059 0.007 0.000 0.919 451 L HN 0.274 nan 8.230 nan 0.000 0.443 452 N N 0.595 119.300 118.700 0.007 0.000 2.188 452 N HA -0.138 4.602 4.740 0.001 0.000 0.184 452 N C 1.741 177.255 175.510 0.006 0.000 1.018 452 N CA 1.121 54.173 53.050 0.005 0.000 0.858 452 N CB -0.005 38.484 38.487 0.003 0.000 0.989 452 N HN 0.396 nan 8.380 nan 0.000 0.426 453 K N 0.370 120.777 120.400 0.011 0.000 2.062 453 K HA 0.022 4.342 4.320 0.001 0.000 0.205 453 K C 2.016 178.626 176.600 0.016 0.000 1.051 453 K CA 0.613 56.910 56.287 0.016 0.000 0.941 453 K CB -0.040 32.478 32.500 0.029 0.000 0.719 453 K HN -0.065 nan 8.250 nan 0.000 0.440 454 V N 2.155 122.074 119.914 0.009 0.000 2.295 454 V HA -0.273 3.847 4.120 0.001 0.000 0.246 454 V C 2.059 178.156 176.094 0.005 0.000 1.049 454 V CA 1.772 64.074 62.300 0.004 0.000 1.024 454 V CB -0.412 31.404 31.823 -0.012 0.000 0.648 454 V HN 0.291 nan 8.190 nan 0.000 0.447 455 K N 0.061 120.463 120.400 0.002 0.000 2.057 455 K HA -0.143 4.178 4.320 0.001 0.000 0.207 455 K C 2.429 179.030 176.600 0.003 0.000 1.049 455 K CA 1.723 58.011 56.287 0.002 0.000 0.931 455 K CB -0.344 32.156 32.500 0.000 0.000 0.714 455 K HN 0.372 nan 8.250 nan 0.000 0.440 456 S N 0.452 116.154 115.700 0.003 0.000 2.356 456 S HA -0.127 4.344 4.470 0.001 0.000 0.223 456 S C 2.034 176.636 174.600 0.003 0.000 1.032 456 S CA 1.716 59.917 58.200 0.002 0.000 1.005 456 S CB -0.326 62.874 63.200 0.001 0.000 0.867 456 S HN 0.348 nan 8.310 nan 0.000 0.449 457 T N 2.480 117.039 114.554 0.008 0.000 2.746 457 T HA -0.001 4.349 4.350 0.001 0.000 0.267 457 T C 1.830 176.536 174.700 0.011 0.000 1.039 457 T CA 1.166 63.273 62.100 0.011 0.000 1.142 457 T CB -0.330 68.553 68.868 0.024 0.000 0.866 457 T HN 0.307 nan 8.240 nan 0.000 0.444 458 M N 0.484 120.089 119.600 0.009 0.000 2.149 458 M HA -0.133 4.347 4.480 0.001 0.000 0.261 458 M C 2.587 178.891 176.300 0.006 0.000 1.064 458 M CA 1.252 56.556 55.300 0.008 0.000 1.102 458 M CB -0.693 31.910 32.600 0.005 0.000 1.369 458 M HN 0.346 nan 8.290 nan 0.000 0.408 459 C N 0.336 119.638 119.300 0.004 0.000 2.440 459 C HA -0.113 4.347 4.460 0.001 0.000 0.278 459 C C 2.210 177.201 174.990 0.003 0.000 1.295 459 C CA 1.059 60.078 59.018 0.002 0.000 1.738 459 C CB -1.581 26.159 27.740 0.001 0.000 1.987 459 C HN 0.603 nan 8.230 nan 0.000 0.492 460 N N -0.181 118.521 118.700 0.003 0.000 2.223 460 N HA -0.133 4.608 4.740 0.001 0.000 0.185 460 N C 1.221 176.734 175.510 0.005 0.000 1.016 460 N CA 1.507 54.558 53.050 0.002 0.000 0.863 460 N CB -0.185 38.302 38.487 0.001 0.000 0.983 460 N HN 0.482 nan 8.380 nan 0.000 0.429 461 C N -0.218 119.087 119.300 0.008 0.000 2.626 461 C HA 0.332 4.792 4.460 0.001 0.000 0.266 461 C C 1.596 176.591 174.990 0.009 0.000 1.317 461 C CA 0.132 59.157 59.018 0.010 0.000 1.716 461 C CB -1.199 26.549 27.740 0.014 0.000 1.819 461 C HN 0.660 nan 8.230 nan 0.000 0.578 462 G N 0.724 109.528 108.800 0.006 0.000 2.160 462 G HA2 0.027 3.987 3.960 0.001 0.000 0.244 462 G HA3 0.027 3.987 3.960 0.001 0.000 0.244 462 G C -0.084 174.819 174.900 0.005 0.000 1.022 462 G CA 0.276 45.380 45.100 0.005 0.000 0.741 462 G HN 0.969 nan 8.290 nan 0.000 0.508 463 A N -0.658 122.165 122.820 0.005 0.000 2.331 463 A HA 0.845 5.165 4.320 0.001 0.000 0.320 463 A C 0.800 178.385 177.584 0.002 0.000 1.138 463 A CA -0.506 51.533 52.037 0.004 0.000 0.790 463 A CB 1.133 20.137 19.000 0.006 0.000 1.206 463 A HN 0.625 nan 8.150 nan 0.000 0.470 464 L N 1.467 122.690 121.223 0.000 0.000 2.693 464 L HA 0.205 4.545 4.340 0.001 0.000 0.235 464 L C 0.774 177.642 176.870 -0.004 0.000 1.127 464 L CA 0.717 55.556 54.840 -0.002 0.000 0.914 464 L CB 0.301 42.358 42.059 -0.003 0.000 1.193 464 L HN 0.916 nan 8.230 nan 0.000 0.502 465 T N -5.228 109.324 114.554 -0.003 0.000 2.864 465 T HA 0.417 4.768 4.350 0.001 0.000 0.299 465 T C 0.895 175.594 174.700 -0.001 0.000 1.166 465 T CA -0.654 61.443 62.100 -0.005 0.000 1.007 465 T CB 1.642 70.503 68.868 -0.011 0.000 1.219 465 T HN -0.107 nan 8.240 nan 0.000 0.506 466 I N 0.784 121.355 120.570 0.002 0.000 2.226 466 I HA 0.010 4.180 4.170 0.001 0.000 0.245 466 I C -0.874 175.248 176.117 0.009 0.000 1.100 466 I CA 0.697 62.003 61.300 0.009 0.000 1.374 466 I CB -0.982 37.031 38.000 0.022 0.000 1.057 466 I HN 0.513 nan 8.210 nan 0.000 0.413 467 P HA -0.172 nan 4.420 nan 0.000 0.217 467 P C 1.576 178.877 177.300 0.001 0.000 1.150 467 P CA 1.315 64.412 63.100 -0.006 0.000 0.832 467 P CB -0.020 31.661 31.700 -0.032 0.000 0.787 468 Q N -1.013 118.787 119.800 -0.000 0.000 2.084 468 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 468 Q C 2.073 178.078 176.000 0.008 0.000 0.978 468 Q CA 1.149 56.955 55.803 0.004 0.000 0.844 468 Q CB -0.806 27.934 28.738 0.002 0.000 0.898 468 Q HN 0.172 nan 8.270 nan 0.000 0.426 469 L N 1.075 122.303 121.223 0.007 0.000 2.017 469 L HA -0.232 4.108 4.340 0.001 0.000 0.208 469 L C 2.044 178.921 176.870 0.011 0.000 1.073 469 L CA 1.832 56.677 54.840 0.009 0.000 0.745 469 L CB -0.367 41.697 42.059 0.008 0.000 0.894 469 L HN 0.176 nan 8.230 nan 0.000 0.432 470 Q N -1.427 118.381 119.800 0.012 0.000 2.226 470 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 470 Q C 2.344 178.354 176.000 0.017 0.000 0.975 470 Q CA 1.503 57.315 55.803 0.014 0.000 0.866 470 Q CB -0.189 28.562 28.738 0.021 0.000 0.915 470 Q HN 0.630 nan 8.270 nan 0.000 0.440 471 S N 0.433 116.144 115.700 0.017 0.000 2.404 471 S HA -0.020 4.450 4.470 0.001 0.000 0.223 471 S C 1.605 176.216 174.600 0.019 0.000 1.040 471 S CA 0.608 58.820 58.200 0.020 0.000 0.957 471 S CB 0.211 63.423 63.200 0.020 0.000 0.826 471 S HN 0.193 nan 8.310 nan 0.000 0.491 472 K N 1.213 121.623 120.400 0.017 0.000 2.361 472 K HA 0.340 4.661 4.320 0.001 0.000 0.196 472 K C 0.730 177.341 176.600 0.018 0.000 1.039 472 K CA 0.336 56.633 56.287 0.016 0.000 1.001 472 K CB -0.051 32.458 32.500 0.014 0.000 0.795 472 K HN 0.397 nan 8.250 nan 0.000 0.495 473 A N 2.423 125.254 122.820 0.019 0.000 2.565 473 A HA -0.021 4.299 4.320 0.001 0.000 0.237 473 A C -0.387 177.213 177.584 0.027 0.000 1.053 473 A CA 0.542 52.592 52.037 0.022 0.000 0.755 473 A CB 0.061 19.073 19.000 0.020 0.000 0.980 473 A HN 0.148 nan 8.150 nan 0.000 0.506 474 K N 2.339 122.758 120.400 0.033 0.000 2.425 474 K HA 0.534 4.855 4.320 0.001 0.000 0.259 474 K C -1.318 175.315 176.600 0.055 0.000 0.978 474 K CA 0.043 56.352 56.287 0.038 0.000 0.883 474 K CB 1.470 33.988 32.500 0.031 0.000 1.110 474 K HN 0.647 nan 8.250 nan 0.000 0.436 475 I N 1.768 122.381 120.570 0.071 0.000 2.406 475 I HA 0.239 4.410 4.170 0.001 0.000 0.290 475 I C 0.031 176.237 176.117 0.149 0.000 0.999 475 I CA -0.688 60.684 61.300 0.119 0.000 1.124 475 I CB 2.074 40.140 38.000 0.110 0.000 1.289 475 I HN 0.434 nan 8.210 nan 0.000 0.441 476 T N 6.503 121.148 114.554 0.152 0.000 2.908 476 T HA 0.629 4.979 4.350 0.001 0.000 0.290 476 T C -0.437 174.269 174.700 0.010 0.000 1.034 476 T CA -0.454 61.693 62.100 0.077 0.000 1.010 476 T CB 1.154 70.038 68.868 0.027 0.000 1.068 476 T HN 0.341 nan 8.240 nan 0.000 0.481 477 L N 3.211 124.335 121.223 -0.165 0.000 2.439 477 L HA 0.643 4.983 4.340 0.001 0.000 0.261 477 L C -0.542 176.197 176.870 -0.219 0.000 1.153 477 L CA -0.730 53.859 54.840 -0.418 0.000 0.808 477 L CB 1.450 43.197 42.059 -0.520 0.000 1.126 477 L HN 0.378 nan 8.230 nan 0.000 0.460 478 V N 0.649 120.437 119.914 -0.210 0.000 2.588 478 V HA 0.276 4.396 4.120 0.001 0.000 0.304 478 V C 0.046 176.089 176.094 -0.085 0.000 1.042 478 V CA -0.806 61.433 62.300 -0.101 0.000 0.877 478 V CB 1.843 33.638 31.823 -0.046 0.000 0.996 478 V HN 0.901 nan 8.190 nan 0.000 0.425 479 S N 2.661 118.325 115.700 -0.059 0.000 2.584 479 S HA 0.107 4.578 4.470 0.001 0.000 0.270 479 S C 1.522 176.108 174.600 -0.024 0.000 1.346 479 S CA 0.194 58.370 58.200 -0.041 0.000 1.018 479 S CB 1.181 64.361 63.200 -0.034 0.000 0.899 479 S HN 1.195 nan 8.310 nan 0.000 0.542 480 S N 1.357 117.050 115.700 -0.012 0.000 2.399 480 S HA -0.122 4.349 4.470 0.001 0.000 0.231 480 S C 1.650 176.244 174.600 -0.010 0.000 1.022 480 S CA 1.122 59.322 58.200 -0.000 0.000 0.983 480 S CB -1.063 62.141 63.200 0.007 0.000 0.803 480 S HN 0.623 nan 8.310 nan 0.000 0.480 481 V N 1.875 121.776 119.914 -0.021 0.000 2.515 481 V HA -0.091 4.029 4.120 0.001 0.000 0.250 481 V C 2.789 178.854 176.094 -0.049 0.000 1.058 481 V CA 1.892 64.171 62.300 -0.036 0.000 1.064 481 V CB -1.027 30.773 31.823 -0.038 0.000 0.675 481 V HN 0.542 nan 8.190 nan 0.000 0.461 482 S N -0.066 115.611 115.700 -0.039 0.000 2.402 482 S HA -0.067 4.403 4.470 0.001 0.000 0.229 482 S C 1.929 176.511 174.600 -0.031 0.000 1.021 482 S CA 1.007 59.183 58.200 -0.040 0.000 0.974 482 S CB -0.198 62.982 63.200 -0.033 0.000 0.800 482 S HN 0.380 nan 8.310 nan 0.000 0.484 483 I N 1.322 121.883 120.570 -0.015 0.000 2.226 483 I HA -0.101 4.070 4.170 0.001 0.000 0.245 483 I C 2.275 178.390 176.117 -0.002 0.000 1.100 483 I CA 1.045 62.347 61.300 0.005 0.000 1.374 483 I CB -1.441 36.577 38.000 0.030 0.000 1.057 483 I HN 0.152 nan 8.210 nan 0.000 0.413 484 V N 0.947 120.850 119.914 -0.017 0.000 2.332 484 V HA -0.285 3.836 4.120 0.001 0.000 0.248 484 V C 2.567 178.630 176.094 -0.051 0.000 1.055 484 V CA 2.067 64.351 62.300 -0.026 0.000 1.038 484 V CB -0.715 31.078 31.823 -0.050 0.000 0.651 484 V HN 0.486 nan 8.190 nan 0.000 0.450 485 E N 0.348 120.482 120.200 -0.110 0.000 2.204 485 E HA -0.167 4.184 4.350 0.001 0.000 0.195 485 E C 2.197 178.830 176.600 0.055 0.000 0.990 485 E CA 1.193 57.502 56.400 -0.151 0.000 0.821 485 E CB -0.358 29.254 29.700 -0.148 0.000 0.750 485 E HN 0.597 nan 8.360 nan 0.000 0.477 486 G N 0.498 109.310 108.800 0.019 0.000 2.443 486 G HA2 -0.051 3.910 3.960 0.001 0.000 0.219 486 G HA3 -0.051 3.910 3.960 0.001 0.000 0.219 486 G C 0.726 175.636 174.900 0.016 0.000 1.131 486 G CA 0.527 45.632 45.100 0.008 0.000 0.775 486 G HN 0.357 nan 8.290 nan 0.000 0.547 487 G N -0.706 108.122 108.800 0.047 0.000 2.557 487 G HA2 0.573 4.534 3.960 0.001 0.000 0.302 487 G HA3 0.573 4.534 3.960 0.001 0.000 0.302 487 G C 0.015 174.958 174.900 0.073 0.000 1.311 487 G CA -0.013 45.103 45.100 0.028 0.000 1.030 487 G HN 0.495 nan 8.290 nan 0.000 0.509 488 A N -0.260 122.565 122.820 0.009 0.000 2.462 488 A HA 0.585 4.905 4.320 0.001 0.000 0.243 488 A C -0.012 177.587 177.584 0.025 0.000 1.076 488 A CA 0.243 52.251 52.037 -0.047 0.000 0.773 488 A CB -0.255 18.715 19.000 -0.051 0.000 1.010 488 A HN 1.392 nan 8.150 nan 0.000 0.493 489 H N -1.655 117.406 119.070 -0.015 0.000 3.046 489 H HA 0.552 5.109 4.556 0.001 0.000 0.363 489 H C -0.679 174.645 175.328 -0.008 0.000 1.203 489 H CA -0.524 55.518 56.048 -0.010 0.000 1.169 489 H CB 0.890 30.646 29.762 -0.010 0.000 1.851 489 H HN 0.613 nan 8.280 nan 0.000 0.546 490 D N 0.140 120.615 120.400 0.124 0.000 2.945 490 D HA -0.140 4.501 4.640 0.001 0.000 0.225 490 D C -0.349 175.954 176.300 0.005 0.000 1.158 490 D CA 1.407 55.452 54.000 0.075 0.000 0.805 490 D CB -1.385 39.500 40.800 0.141 0.000 1.098 490 D HN 0.617 nan 8.370 nan 0.000 0.426 491 V N -3.251 116.653 119.914 -0.016 0.000 3.147 491 V HA 0.644 4.765 4.120 0.001 0.000 0.306 491 V C -0.077 176.007 176.094 -0.016 0.000 1.209 491 V CA -1.151 61.132 62.300 -0.029 0.000 1.023 491 V CB 2.845 34.630 31.823 -0.062 0.000 1.059 491 V HN 0.007 nan 8.190 nan 0.000 0.435 492 I N 2.774 123.336 120.570 -0.013 0.000 2.297 492 I HA 0.331 4.502 4.170 0.001 0.000 0.291 492 I C -0.102 176.008 176.117 -0.012 0.000 1.033 492 I CA -0.812 60.483 61.300 -0.007 0.000 1.253 492 I CB 1.646 39.644 38.000 -0.003 0.000 1.396 492 I HN 0.497 nan 8.210 nan 0.000 0.476 493 V N 7.554 127.461 119.914 -0.011 0.000 2.485 493 V HA 0.012 4.132 4.120 0.001 0.000 0.287 493 V C 0.709 176.798 176.094 -0.009 0.000 1.022 493 V CA 0.004 62.296 62.300 -0.014 0.000 1.067 493 V CB 0.512 32.328 31.823 -0.012 0.000 0.967 493 V HN 0.706 nan 8.190 nan 0.000 0.479 494 K N 0.000 120.394 120.400 -0.011 0.000 2.780 494 K HA 0.000 4.320 4.320 0.001 0.000 0.191 494 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 494 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 494 K HN 0.000 nan 8.250 nan 0.000 0.543