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 1viw_1_A DATA FIRST_RESID 2 DATA SEQUENCE KDANFASGRN SIVHLFEWKW NDIADEcERF LQPQGFGGVQ ISPPNEYLVA DATA SEQUENCE DGRPWWERYQ PVSYIINTRS GNESAFTDMT RRcNDAGVRI YVDAVINHMT DATA SEQUENCE GMNGVGTSGS SADHDGMNYP AVPYGSGDFH SPcEVNNYQD ADNVRNcELV DATA SEQUENCE GLRDLNAGSD YVRGVLIDYM NHMIDLGVAG FRVDAAKHMS PGDLSVIFDG DATA SEQUENCE LKNLNTDYGF ADGARPFIYQ EVIDLGGEAI SKNEYTGFGC VLEFQFGVSL DATA SEQUENCE GNAFQGGNQL KNLANWGPEW GLLEGLDAVV FVDNHDNQRT GGSQILTYKN DATA SEQUENCE PKPYKMAIAF MLAHPYGTTR IMSSFDFTDN DQGPPQDGSG NLISPGINDD DATA SEQUENCE NTcSNGYVcE HRWRQVYGMV GFRNAVEGTQ VENWWSNDDN QIAFSRGSQG DATA SEQUENCE FVAFTNGGDL NQNLNTGLPA GTYcDVISGE LSGGScTGKS VTVGDNGSAD DATA SEQUENCE ISLGSAEDDG VLAIHVNAKL 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.779 176.600 0.299 0.000 0.988 2 K CA 0.000 56.468 56.287 0.301 0.000 0.838 2 K CB 0.000 32.602 32.500 0.170 0.000 1.064 3 D N 1.245 121.755 120.400 0.184 0.000 2.351 3 D HA 0.331 4.958 4.640 -0.021 0.000 0.251 3 D C 1.201 177.292 176.300 -0.348 0.000 1.137 3 D CA 0.371 54.337 54.000 -0.056 0.000 0.879 3 D CB 1.515 42.288 40.800 -0.046 0.000 1.181 3 D HN 0.201 nan 8.370 nan 0.000 0.448 4 A N 4.409 126.806 122.820 -0.704 0.000 1.859 4 A HA -0.258 4.049 4.320 -0.021 0.000 0.218 4 A C 1.276 178.407 177.584 -0.755 0.000 1.209 4 A CA 1.973 53.276 52.037 -1.224 0.000 0.639 4 A CB -0.424 17.630 19.000 -1.577 0.000 0.835 4 A HN 0.866 nan 8.150 nan 0.000 0.450 5 N N -2.907 115.498 118.700 -0.492 0.000 3.031 5 N HA -0.126 4.601 4.740 -0.021 0.000 0.232 5 N C -0.735 174.871 175.510 0.159 0.000 0.958 5 N CA 0.939 53.968 53.050 -0.036 0.000 0.964 5 N CB -1.608 36.999 38.487 0.200 0.000 1.086 5 N HN 0.338 nan 8.380 nan 0.000 0.558 6 F N 1.298 121.257 119.950 0.016 0.000 2.440 6 F HA 0.503 5.017 4.527 -0.021 0.000 0.323 6 F C 1.628 177.417 175.800 -0.018 0.000 1.192 6 F CA -1.258 56.748 58.000 0.010 0.000 1.252 6 F CB -0.083 38.907 39.000 -0.016 0.000 1.214 6 F HN 0.009 nan 8.300 nan 0.000 0.578 7 A N 1.576 124.496 122.820 0.167 0.000 2.491 7 A HA 0.308 4.616 4.320 -0.021 0.000 0.261 7 A C 0.620 178.242 177.584 0.064 0.000 1.101 7 A CA -0.332 51.735 52.037 0.050 0.000 0.772 7 A CB -0.685 18.315 19.000 0.000 0.000 1.043 7 A HN 0.730 nan 8.150 nan 0.000 0.501 8 S N 1.245 116.962 115.700 0.028 0.000 2.536 8 S HA 0.262 4.719 4.470 -0.021 0.000 0.290 8 S C 1.635 176.246 174.600 0.018 0.000 1.302 8 S CA 1.375 59.585 58.200 0.016 0.000 1.037 8 S CB 0.073 63.271 63.200 -0.004 0.000 0.804 8 S HN 2.313 nan 8.310 nan 0.000 0.506 9 G N 1.633 110.441 108.800 0.013 0.000 2.175 9 G HA2 -0.282 3.665 3.960 -0.021 0.000 0.265 9 G HA3 -0.282 3.665 3.960 -0.021 0.000 0.265 9 G C 0.009 174.920 174.900 0.018 0.000 0.979 9 G CA 0.723 45.827 45.100 0.006 0.000 0.663 9 G HN 0.706 nan 8.290 nan 0.000 0.533 10 R N -0.534 119.998 120.500 0.054 0.000 2.892 10 R HA 0.737 5.064 4.340 -0.021 0.000 0.265 10 R C -0.514 175.877 176.300 0.152 0.000 1.025 10 R CA -0.910 55.229 56.100 0.066 0.000 0.982 10 R CB 1.282 31.619 30.300 0.062 0.000 1.185 10 R HN 0.158 nan 8.270 nan 0.000 0.484 11 N N 0.211 118.958 118.700 0.079 0.000 2.446 11 N HA 0.139 4.866 4.740 -0.021 0.000 0.272 11 N C -1.509 173.954 175.510 -0.078 0.000 1.127 11 N CA -0.070 53.066 53.050 0.143 0.000 0.896 11 N CB 2.239 40.777 38.487 0.084 0.000 1.658 11 N HN 0.865 nan 8.380 nan 0.000 0.483 12 S N 0.317 116.007 115.700 -0.017 0.000 3.650 12 S HA -0.217 4.240 4.470 -0.021 0.000 0.800 12 S C -0.256 174.164 174.600 -0.300 0.000 1.435 12 S CA 0.070 58.184 58.200 -0.145 0.000 1.244 12 S CB -0.896 62.287 63.200 -0.029 0.000 0.437 12 S HN 0.668 nan 8.310 nan 0.000 0.571 13 I N -0.441 120.011 120.570 -0.196 0.000 3.067 13 I HA 0.920 5.077 4.170 -0.021 0.000 0.312 13 I C -0.747 175.373 176.117 0.004 0.000 1.073 13 I CA -1.405 59.810 61.300 -0.142 0.000 1.016 13 I CB 2.110 39.944 38.000 -0.275 0.000 1.227 13 I HN 0.790 nan 8.210 nan 0.000 0.456 14 V N 2.338 122.217 119.914 -0.057 0.000 2.876 14 V HA 0.331 4.438 4.120 -0.021 0.000 0.312 14 V C -1.117 174.943 176.094 -0.057 0.000 1.085 14 V CA -0.613 61.633 62.300 -0.090 0.000 0.945 14 V CB 1.430 33.040 31.823 -0.355 0.000 1.017 14 V HN 0.801 nan 8.190 nan 0.000 0.428 15 H N 3.834 122.830 119.070 -0.123 0.000 2.724 15 H HA 0.499 5.043 4.556 -0.021 0.000 0.278 15 H C -0.344 174.891 175.328 -0.155 0.000 1.159 15 H CA -0.724 55.279 56.048 -0.075 0.000 1.254 15 H CB 0.457 30.212 29.762 -0.011 0.000 1.412 15 H HN 0.563 nan 8.280 nan 0.000 0.488 16 L N 6.057 126.975 121.223 -0.508 0.000 2.480 16 L HA 0.097 4.424 4.340 -0.021 0.000 0.243 16 L C 0.128 176.669 176.870 -0.549 0.000 1.315 16 L CA -0.570 53.679 54.840 -0.984 0.000 1.231 16 L CB -0.890 40.340 42.059 -1.382 0.000 1.444 16 L HN 0.471 nan 8.230 nan 0.000 0.409 17 F N 3.947 123.500 119.950 -0.661 0.000 2.473 17 F HA -0.120 4.395 4.527 -0.020 0.000 0.405 17 F C 1.447 177.392 175.800 0.241 0.000 0.988 17 F CA 0.574 58.337 58.000 -0.393 0.000 1.096 17 F CB -0.218 38.630 39.000 -0.252 0.000 0.944 17 F HN 0.524 nan 8.300 nan 0.000 0.530 18 E N 1.873 122.057 120.200 -0.026 0.000 3.975 18 E HA -0.315 4.022 4.350 -0.021 0.000 0.342 18 E C -0.085 176.609 176.600 0.157 0.000 0.677 18 E CA 1.231 57.622 56.400 -0.016 0.000 1.238 18 E CB -1.607 27.982 29.700 -0.185 0.000 1.665 18 E HN 0.622 nan 8.360 nan 0.000 0.429 19 W N 2.202 123.441 121.300 -0.101 0.000 2.187 19 W HA 0.144 4.792 4.660 -0.021 0.000 0.348 19 W C 1.531 177.983 176.519 -0.112 0.000 1.282 19 W CA 0.246 57.494 57.345 -0.161 0.000 1.271 19 W CB 0.158 29.524 29.460 -0.157 0.000 1.170 19 W HN -0.147 nan 8.180 nan 0.000 0.583 20 K N 1.317 121.761 120.400 0.072 0.000 2.219 20 K HA 0.008 4.316 4.320 -0.021 0.000 0.258 20 K C 1.187 177.929 176.600 0.237 0.000 1.008 20 K CA -0.326 55.946 56.287 -0.026 0.000 0.928 20 K CB 0.640 33.104 32.500 -0.060 0.000 0.983 20 K HN 0.581 nan 8.250 nan 0.000 0.484 21 W N 2.031 123.360 121.300 0.048 0.000 2.309 21 W HA -0.276 4.371 4.660 -0.021 0.000 0.326 21 W C 2.080 178.598 176.519 -0.001 0.000 1.222 21 W CA 0.883 58.230 57.345 0.003 0.000 1.237 21 W CB -0.409 29.057 29.460 0.011 0.000 1.180 21 W HN 0.764 nan 8.180 nan 0.000 0.456 22 N N 0.595 119.462 118.700 0.278 0.000 2.184 22 N HA -0.229 4.498 4.740 -0.021 0.000 0.190 22 N C 0.980 176.562 175.510 0.120 0.000 1.011 22 N CA 1.950 55.091 53.050 0.151 0.000 0.867 22 N CB -0.905 37.647 38.487 0.108 0.000 0.993 22 N HN 0.153 nan 8.380 nan 0.000 0.433 23 D N 1.409 121.886 120.400 0.128 0.000 2.084 23 D HA -0.024 4.603 4.640 -0.021 0.000 0.194 23 D C 2.176 178.592 176.300 0.194 0.000 0.990 23 D CA 0.652 54.721 54.000 0.115 0.000 0.826 23 D CB -0.365 40.468 40.800 0.055 0.000 0.971 23 D HN 0.318 nan 8.370 nan 0.000 0.453 24 I N 1.090 121.806 120.570 0.242 0.000 2.145 24 I HA -0.365 3.792 4.170 -0.021 0.000 0.244 24 I C 2.406 178.564 176.117 0.068 0.000 1.075 24 I CA 1.330 62.729 61.300 0.165 0.000 1.332 24 I CB -0.266 37.797 38.000 0.104 0.000 1.033 24 I HN -0.040 nan 8.210 nan 0.000 0.410 25 A N 0.694 123.546 122.820 0.053 0.000 1.884 25 A HA -0.305 4.003 4.320 -0.021 0.000 0.219 25 A C 1.957 179.560 177.584 0.032 0.000 1.197 25 A CA 2.391 54.438 52.037 0.016 0.000 0.637 25 A CB -0.829 18.184 19.000 0.022 0.000 0.827 25 A HN 0.440 nan 8.150 nan 0.000 0.450 26 D N -0.700 119.736 120.400 0.060 0.000 2.108 26 D HA -0.206 4.422 4.640 -0.021 0.000 0.190 26 D C 1.854 178.203 176.300 0.081 0.000 0.995 26 D CA 1.861 55.900 54.000 0.065 0.000 0.834 26 D CB -0.627 40.215 40.800 0.070 0.000 0.967 26 D HN 0.562 nan 8.370 nan 0.000 0.446 27 E N 0.436 120.710 120.200 0.123 0.000 2.130 27 E HA -0.178 4.160 4.350 -0.021 0.000 0.196 27 E C 2.194 178.823 176.600 0.048 0.000 0.998 27 E CA 1.006 57.492 56.400 0.143 0.000 0.806 27 E CB -0.337 29.485 29.700 0.202 0.000 0.738 27 E HN 0.279 nan 8.360 nan 0.000 0.459 28 c N 0.574 119.167 118.600 -0.011 0.000 2.413 28 c HA -0.173 4.384 4.570 -0.021 0.000 0.277 28 c C 2.446 176.512 174.090 -0.040 0.000 1.228 28 c CA 1.537 57.828 56.329 -0.062 0.000 1.731 28 c CB -1.236 41.233 42.510 -0.068 0.000 2.042 28 c HN 0.695 nan 8.230 nan 0.000 0.468 29 E N 1.332 121.525 120.200 -0.011 0.000 2.340 29 E HA -0.091 4.247 4.350 -0.021 0.000 0.194 29 E C 2.131 178.740 176.600 0.015 0.000 0.996 29 E CA 0.335 56.731 56.400 -0.007 0.000 0.869 29 E CB -0.372 29.325 29.700 -0.005 0.000 0.835 29 E HN 0.728 nan 8.360 nan 0.000 0.493 30 R N -0.405 120.127 120.500 0.054 0.000 2.112 30 R HA 0.059 4.386 4.340 -0.021 0.000 0.216 30 R C 1.242 177.637 176.300 0.160 0.000 1.080 30 R CA 0.974 57.130 56.100 0.094 0.000 0.996 30 R CB -0.183 30.182 30.300 0.109 0.000 0.902 30 R HN 0.261 nan 8.270 nan 0.000 0.449 31 F N 0.470 120.414 119.950 -0.010 0.000 2.496 31 F HA 0.324 4.838 4.527 -0.022 0.000 0.274 31 F C 1.734 177.515 175.800 -0.030 0.000 0.924 31 F CA -0.317 57.674 58.000 -0.015 0.000 1.147 31 F CB 0.081 39.092 39.000 0.019 0.000 0.969 31 F HN -0.168 nan 8.300 nan 0.000 0.749 32 L N 0.959 122.089 121.223 -0.154 0.000 1.955 32 L HA -0.275 4.053 4.340 -0.021 0.000 0.213 32 L C 2.703 179.517 176.870 -0.093 0.000 1.072 32 L CA 2.356 57.035 54.840 -0.268 0.000 0.755 32 L CB -1.146 40.735 42.059 -0.296 0.000 0.888 32 L HN 0.338 nan 8.230 nan 0.000 0.432 33 Q N 0.671 120.422 119.800 -0.081 0.000 2.045 33 Q HA -0.200 4.127 4.340 -0.021 0.000 0.206 33 Q C -0.588 175.370 176.000 -0.070 0.000 0.991 33 Q CA 2.207 57.978 55.803 -0.054 0.000 0.851 33 Q CB -1.429 27.280 28.738 -0.049 0.000 0.911 33 Q HN 0.313 nan 8.270 nan 0.000 0.418 34 P HA -0.142 nan 4.420 nan 0.000 0.219 34 P C 0.303 177.519 177.300 -0.140 0.000 1.146 34 P CA 1.244 64.276 63.100 -0.112 0.000 0.808 34 P CB -0.024 31.602 31.700 -0.124 0.000 0.779 35 Q N -0.851 118.837 119.800 -0.187 0.000 2.237 35 Q HA 0.290 4.617 4.340 -0.021 0.000 0.252 35 Q C 1.069 177.004 176.000 -0.107 0.000 0.877 35 Q CA 0.254 55.959 55.803 -0.164 0.000 1.011 35 Q CB -0.489 28.075 28.738 -0.291 0.000 1.118 35 Q HN 0.233 nan 8.270 nan 0.000 0.458 36 G N 1.200 109.957 108.800 -0.072 0.000 2.296 36 G HA2 -0.309 3.638 3.960 -0.021 0.000 0.282 36 G HA3 -0.309 3.638 3.960 -0.021 0.000 0.282 36 G C -0.172 174.650 174.900 -0.130 0.000 1.014 36 G CA 0.090 45.142 45.100 -0.081 0.000 0.812 36 G HN 0.340 nan 8.290 nan 0.000 0.508 37 F N 0.076 119.942 119.950 -0.139 0.000 2.418 37 F HA 0.486 5.000 4.527 -0.021 0.000 0.341 37 F C 1.871 177.513 175.800 -0.264 0.000 1.120 37 F CA 0.917 58.809 58.000 -0.181 0.000 1.232 37 F CB 1.133 40.017 39.000 -0.194 0.000 1.175 37 F HN 0.013 nan 8.300 nan 0.000 0.569 38 G N 1.432 110.082 108.800 -0.250 0.000 2.464 38 G HA2 0.340 4.287 3.960 -0.021 0.000 0.214 38 G HA3 0.340 4.287 3.960 -0.021 0.000 0.214 38 G C 0.645 175.230 174.900 -0.524 0.000 1.218 38 G CA 0.864 45.426 45.100 -0.897 0.000 0.794 38 G HN 1.013 nan 8.290 nan 0.000 0.542 39 G N -2.133 106.473 108.800 -0.323 0.000 2.562 39 G HA2 0.453 4.400 3.960 -0.021 0.000 0.190 39 G HA3 0.453 4.400 3.960 -0.021 0.000 0.190 39 G C -2.002 172.839 174.900 -0.098 0.000 1.196 39 G CA 0.331 45.360 45.100 -0.118 0.000 0.986 39 G HN 0.734 nan 8.290 nan 0.000 0.512 40 V N 0.517 120.437 119.914 0.009 0.000 2.851 40 V HA 0.521 4.628 4.120 -0.021 0.000 0.307 40 V C -0.710 175.477 176.094 0.155 0.000 1.129 40 V CA -0.589 61.696 62.300 -0.026 0.000 0.932 40 V CB 1.853 33.585 31.823 -0.151 0.000 1.024 40 V HN 0.799 nan 8.190 nan 0.000 0.426 41 Q N 4.026 123.931 119.800 0.175 0.000 2.406 41 Q HA 0.456 4.783 4.340 -0.021 0.000 0.242 41 Q C -0.521 175.643 176.000 0.274 0.000 1.036 41 Q CA -0.305 55.679 55.803 0.301 0.000 0.904 41 Q CB 1.028 29.949 28.738 0.305 0.000 1.244 41 Q HN 0.816 nan 8.270 nan 0.000 0.478 42 I N 3.277 123.961 120.570 0.189 0.000 2.452 42 I HA 0.057 4.215 4.170 -0.021 0.000 0.287 42 I C 0.203 176.522 176.117 0.337 0.000 1.079 42 I CA 0.113 61.512 61.300 0.166 0.000 1.387 42 I CB 0.954 38.918 38.000 -0.059 0.000 1.404 42 I HN 0.623 nan 8.210 nan 0.000 0.522 43 S N 8.157 124.111 115.700 0.423 0.000 2.550 43 S HA 0.058 4.515 4.470 -0.021 0.000 0.285 43 S C -2.164 172.738 174.600 0.503 0.000 1.326 43 S CA -0.702 57.780 58.200 0.470 0.000 1.037 43 S CB 0.253 63.674 63.200 0.369 0.000 0.838 43 S HN 0.516 nan 8.310 nan 0.000 0.519 44 P HA -0.006 nan 4.420 nan 0.000 0.245 44 P C -1.826 175.788 177.300 0.524 0.000 1.123 44 P CA -0.557 62.737 63.100 0.325 0.000 0.853 44 P CB 0.072 31.801 31.700 0.049 0.000 0.786 45 P HA -0.114 nan 4.420 nan 0.000 0.227 45 P C 0.079 177.674 177.300 0.492 0.000 1.161 45 P CA 0.892 64.496 63.100 0.841 0.000 0.788 45 P CB 0.251 32.401 31.700 0.750 0.000 0.822 46 N N 0.830 119.739 118.700 0.348 0.000 2.493 46 N HA 0.025 4.752 4.740 -0.021 0.000 0.275 46 N C -0.251 175.287 175.510 0.046 0.000 1.186 46 N CA -0.431 52.724 53.050 0.174 0.000 0.978 46 N CB 1.337 39.876 38.487 0.086 0.000 1.184 46 N HN -0.056 nan 8.380 nan 0.000 0.487 47 E N 0.900 121.061 120.200 -0.066 0.000 2.493 47 E HA -0.074 4.263 4.350 -0.021 0.000 0.255 47 E C -0.983 175.538 176.600 -0.132 0.000 0.999 47 E CA 0.023 56.306 56.400 -0.195 0.000 0.934 47 E CB 0.131 29.749 29.700 -0.136 0.000 0.940 47 E HN 0.550 nan 8.360 nan 0.000 0.473 48 Y N 2.117 122.389 120.300 -0.045 0.000 2.693 48 Y HA 0.483 5.021 4.550 -0.021 0.000 0.331 48 Y C -0.847 175.040 175.900 -0.021 0.000 1.092 48 Y CA -1.817 56.256 58.100 -0.046 0.000 1.131 48 Y CB -0.021 38.413 38.460 -0.044 0.000 1.318 48 Y HN 0.380 nan 8.280 nan 0.000 0.510 49 L N 1.192 122.627 121.223 0.354 0.000 2.439 49 L HA 0.431 4.758 4.340 -0.021 0.000 0.269 49 L C -0.559 176.454 176.870 0.238 0.000 1.179 49 L CA -0.257 54.719 54.840 0.228 0.000 0.828 49 L CB 0.824 42.985 42.059 0.170 0.000 1.106 49 L HN 0.555 nan 8.230 nan 0.000 0.467 50 V N 6.211 126.194 119.914 0.115 0.000 2.284 50 V HA 0.482 4.589 4.120 -0.021 0.000 0.260 50 V C 0.577 176.674 176.094 0.006 0.000 1.084 50 V CA -0.211 62.125 62.300 0.059 0.000 0.894 50 V CB -0.014 31.820 31.823 0.019 0.000 1.119 50 V HN 0.948 nan 8.190 nan 0.000 0.484 51 A N 3.948 126.731 122.820 -0.061 0.000 2.328 51 A HA 0.456 4.763 4.320 -0.021 0.000 0.284 51 A C 0.219 177.712 177.584 -0.152 0.000 1.160 51 A CA -0.658 51.307 52.037 -0.120 0.000 0.818 51 A CB 0.161 18.984 19.000 -0.296 0.000 1.087 51 A HN 0.706 nan 8.150 nan 0.000 0.504 52 D N 1.286 121.641 120.400 -0.075 0.000 2.548 52 D HA 0.267 4.894 4.640 -0.021 0.000 0.231 52 D C 1.464 177.703 176.300 -0.102 0.000 1.142 52 D CA 2.111 56.076 54.000 -0.059 0.000 0.866 52 D CB 0.471 41.266 40.800 -0.008 0.000 1.190 52 D HN 1.129 nan 8.370 nan 0.000 0.469 53 G N 2.368 111.120 108.800 -0.079 0.000 2.245 53 G HA2 -0.432 3.515 3.960 -0.021 0.000 0.264 53 G HA3 -0.432 3.515 3.960 -0.021 0.000 0.264 53 G C 0.322 175.139 174.900 -0.138 0.000 0.985 53 G CA 0.359 45.411 45.100 -0.081 0.000 0.625 53 G HN 0.645 nan 8.290 nan 0.000 0.536 54 R N -0.812 119.569 120.500 -0.199 0.000 2.939 54 R HA -0.155 4.172 4.340 -0.021 0.000 0.255 54 R C -2.410 173.710 176.300 -0.300 0.000 0.882 54 R CA 1.081 57.040 56.100 -0.235 0.000 0.658 54 R CB -1.631 28.589 30.300 -0.133 0.000 1.447 54 R HN 0.587 nan 8.270 nan 0.000 0.506 55 P HA 0.012 nan 4.420 nan 0.000 0.282 55 P C 1.164 178.148 177.300 -0.527 0.000 1.259 55 P CA -0.809 61.929 63.100 -0.603 0.000 0.826 55 P CB 0.320 31.300 31.700 -1.200 0.000 1.064 56 W N 3.956 125.192 121.300 -0.105 0.000 2.308 56 W HA -0.183 4.465 4.660 -0.021 0.000 0.301 56 W C 1.604 178.249 176.519 0.209 0.000 1.220 56 W CA 1.231 58.636 57.345 0.100 0.000 1.240 56 W CB -1.723 27.992 29.460 0.425 0.000 1.142 56 W HN 0.480 nan 8.180 nan 0.000 0.521 57 W N 3.251 123.761 121.300 -1.315 0.000 2.421 57 W HA -0.110 4.537 4.660 -0.021 0.000 0.270 57 W C 1.916 178.174 176.519 -0.434 0.000 1.233 57 W CA 1.285 57.829 57.345 -1.334 0.000 1.226 57 W CB -1.474 27.151 29.460 -1.391 0.000 1.121 57 W HN 0.262 nan 8.180 nan 0.000 0.579 58 E N 1.897 121.812 120.200 -0.476 0.000 2.118 58 E HA -0.269 4.069 4.350 -0.021 0.000 0.195 58 E C 2.038 178.430 176.600 -0.347 0.000 0.992 58 E CA 1.358 57.562 56.400 -0.328 0.000 0.804 58 E CB -0.753 28.687 29.700 -0.434 0.000 0.741 58 E HN 0.122 nan 8.360 nan 0.000 0.458 59 R N -0.465 119.709 120.500 -0.543 0.000 2.397 59 R HA -0.109 4.218 4.340 -0.021 0.000 0.213 59 R C 0.202 176.141 176.300 -0.601 0.000 1.102 59 R CA 0.970 56.528 56.100 -0.904 0.000 1.040 59 R CB -0.171 29.831 30.300 -0.498 0.000 0.844 59 R HN 0.368 nan 8.270 nan 0.000 0.478 60 Y N -0.839 119.436 120.300 -0.042 0.000 2.720 60 Y HA 0.319 4.857 4.550 -0.021 0.000 0.268 60 Y C -0.385 175.657 175.900 0.237 0.000 1.142 60 Y CA -0.442 57.751 58.100 0.154 0.000 1.193 60 Y CB 0.688 39.282 38.460 0.223 0.000 1.176 60 Y HN -0.088 nan 8.280 nan 0.000 0.542 61 Q N 1.451 121.377 119.800 0.210 0.000 2.771 61 Q HA 0.289 4.616 4.340 -0.021 0.000 0.247 61 Q C -2.840 173.237 176.000 0.129 0.000 0.986 61 Q CA -2.096 53.839 55.803 0.220 0.000 0.713 61 Q CB 1.657 30.514 28.738 0.200 0.000 1.241 61 Q HN 0.035 nan 8.270 nan 0.000 0.488 62 P HA -0.060 nan 4.420 nan 0.000 0.262 62 P C 0.388 177.561 177.300 -0.212 0.000 1.199 62 P CA 0.262 63.280 63.100 -0.137 0.000 0.763 62 P CB 1.063 32.578 31.700 -0.309 0.000 0.790 63 V N 2.196 122.034 119.914 -0.127 0.000 2.795 63 V HA 0.037 4.145 4.120 -0.021 0.000 0.243 63 V C 1.107 177.110 176.094 -0.150 0.000 1.069 63 V CA 1.957 64.241 62.300 -0.027 0.000 1.089 63 V CB 0.157 32.010 31.823 0.050 0.000 0.756 63 V HN 0.797 nan 8.190 nan 0.000 0.471 64 S N -2.701 112.815 115.700 -0.307 0.000 2.683 64 S HA 0.385 4.843 4.470 -0.021 0.000 0.269 64 S C -0.475 173.761 174.600 -0.606 0.000 1.165 64 S CA -0.410 57.517 58.200 -0.455 0.000 0.840 64 S CB 0.631 63.746 63.200 -0.143 0.000 1.169 64 S HN -0.013 nan 8.310 nan 0.000 0.490 65 Y N 0.549 120.800 120.300 -0.081 0.000 2.449 65 Y HA 0.507 5.044 4.550 -0.021 0.000 0.254 65 Y C 0.759 176.649 175.900 -0.016 0.000 1.140 65 Y CA -1.064 56.931 58.100 -0.175 0.000 1.272 65 Y CB -0.268 38.073 38.460 -0.198 0.000 1.114 65 Y HN 0.448 nan 8.280 nan 0.000 0.525 66 I N 2.386 123.012 120.570 0.094 0.000 2.943 66 I HA -0.176 3.982 4.170 -0.021 0.000 0.296 66 I C 0.139 176.300 176.117 0.072 0.000 1.220 66 I CA 0.357 61.712 61.300 0.092 0.000 1.409 66 I CB 0.322 38.348 38.000 0.043 0.000 1.374 66 I HN 0.081 nan 8.210 nan 0.000 0.545 67 I N 4.834 125.455 120.570 0.086 0.000 3.205 67 I HA 0.001 4.159 4.170 -0.021 0.000 0.283 67 I C 0.404 176.588 176.117 0.112 0.000 1.157 67 I CA 0.577 61.909 61.300 0.052 0.000 1.675 67 I CB -1.487 36.443 38.000 -0.116 0.000 1.241 67 I HN 0.463 nan 8.210 nan 0.000 0.669 68 N N 1.664 120.403 118.700 0.065 0.000 2.569 68 N HA 0.357 5.084 4.740 -0.021 0.000 0.254 68 N C -0.169 175.301 175.510 -0.068 0.000 1.004 68 N CA -0.348 52.726 53.050 0.039 0.000 0.904 68 N CB 0.956 39.447 38.487 0.008 0.000 1.165 68 N HN 0.320 nan 8.380 nan 0.000 0.513 69 T N -0.022 114.496 114.554 -0.061 0.000 2.870 69 T HA 0.422 4.759 4.350 -0.021 0.000 0.277 69 T C 1.225 175.756 174.700 -0.281 0.000 1.000 69 T CA -0.785 61.174 62.100 -0.235 0.000 0.982 69 T CB 1.119 69.916 68.868 -0.118 0.000 1.249 69 T HN 0.241 nan 8.240 nan 0.000 0.589 70 R N 0.157 120.509 120.500 -0.247 0.000 2.316 70 R HA 0.087 4.414 4.340 -0.021 0.000 0.202 70 R C 1.565 177.680 176.300 -0.310 0.000 1.029 70 R CA 0.379 56.366 56.100 -0.188 0.000 1.018 70 R CB -0.398 29.876 30.300 -0.044 0.000 0.888 70 R HN 0.514 nan 8.270 nan 0.000 0.471 71 S N -0.560 114.780 115.700 -0.600 0.000 2.535 71 S HA 0.240 4.697 4.470 -0.021 0.000 0.214 71 S C 0.602 174.561 174.600 -1.069 0.000 0.980 71 S CA 0.441 58.053 58.200 -0.981 0.000 0.907 71 S CB 1.103 63.154 63.200 -1.914 0.000 0.790 71 S HN 0.611 nan 8.310 nan 0.000 0.510 72 G N 2.181 110.565 108.800 -0.693 0.000 2.334 72 G HA2 0.034 3.981 3.960 -0.021 0.000 0.566 72 G HA3 0.034 3.981 3.960 -0.021 0.000 0.566 72 G C -1.008 173.962 174.900 0.116 0.000 1.413 72 G CA -0.839 44.125 45.100 -0.227 0.000 0.993 72 G HN 0.299 nan 8.290 nan 0.000 0.642 73 N N -0.304 118.517 118.700 0.202 0.000 2.366 73 N HA 0.320 5.047 4.740 -0.021 0.000 0.277 73 N C 1.230 176.953 175.510 0.355 0.000 1.275 73 N CA 0.233 53.420 53.050 0.228 0.000 0.964 73 N CB 0.573 39.139 38.487 0.131 0.000 1.167 73 N HN 0.821 nan 8.380 nan 0.000 0.568 74 E N -0.217 120.126 120.200 0.239 0.000 2.038 74 E HA -0.242 4.095 4.350 -0.021 0.000 0.195 74 E C 1.478 178.232 176.600 0.256 0.000 1.000 74 E CA 1.643 58.175 56.400 0.220 0.000 0.803 74 E CB -0.211 29.567 29.700 0.130 0.000 0.750 74 E HN 0.585 nan 8.360 nan 0.000 0.448 75 S N 0.101 115.917 115.700 0.194 0.000 2.393 75 S HA -0.324 4.133 4.470 -0.021 0.000 0.235 75 S C 1.983 176.697 174.600 0.189 0.000 1.061 75 S CA 1.719 60.017 58.200 0.164 0.000 1.129 75 S CB -0.504 62.771 63.200 0.124 0.000 1.011 75 S HN 0.545 nan 8.310 nan 0.000 0.436 76 A N 0.084 123.047 122.820 0.239 0.000 1.930 76 A HA -0.040 4.268 4.320 -0.021 0.000 0.217 76 A C 1.904 179.632 177.584 0.241 0.000 1.175 76 A CA 1.491 53.681 52.037 0.255 0.000 0.627 76 A CB -0.797 18.397 19.000 0.323 0.000 0.815 76 A HN 0.508 nan 8.150 nan 0.000 0.443 77 F N 1.676 121.705 119.950 0.132 0.000 2.046 77 F HA -0.191 4.323 4.527 -0.022 0.000 0.297 77 F C 2.610 178.333 175.800 -0.128 0.000 1.123 77 F CA 2.473 60.344 58.000 -0.214 0.000 1.199 77 F CB -0.875 38.003 39.000 -0.203 0.000 0.972 77 F HN 0.252 nan 8.300 nan 0.000 0.474 78 T N -0.280 114.480 114.554 0.343 0.000 2.653 78 T HA -0.333 4.004 4.350 -0.021 0.000 0.268 78 T C 1.500 176.275 174.700 0.126 0.000 1.035 78 T CA 1.872 64.123 62.100 0.251 0.000 1.154 78 T CB -0.876 68.112 68.868 0.200 0.000 0.862 78 T HN 0.576 nan 8.240 nan 0.000 0.441 79 D N 0.850 121.306 120.400 0.093 0.000 2.104 79 D HA -0.146 4.481 4.640 -0.021 0.000 0.194 79 D C 2.168 178.464 176.300 -0.006 0.000 0.994 79 D CA 1.173 55.203 54.000 0.050 0.000 0.830 79 D CB -0.394 40.444 40.800 0.064 0.000 0.959 79 D HN 0.306 nan 8.370 nan 0.000 0.452 80 M N 0.174 119.729 119.600 -0.075 0.000 2.149 80 M HA -0.175 4.292 4.480 -0.021 0.000 0.261 80 M C 2.081 178.255 176.300 -0.210 0.000 1.064 80 M CA 2.206 57.398 55.300 -0.179 0.000 1.102 80 M CB -0.508 31.876 32.600 -0.360 0.000 1.369 80 M HN 0.365 nan 8.290 nan 0.000 0.408 81 T N -2.047 112.390 114.554 -0.196 0.000 2.857 81 T HA -0.158 4.179 4.350 -0.021 0.000 0.266 81 T C 1.877 176.634 174.700 0.095 0.000 1.048 81 T CA 1.207 63.256 62.100 -0.086 0.000 1.139 81 T CB -0.433 68.435 68.868 -0.000 0.000 0.874 81 T HN 0.476 nan 8.240 nan 0.000 0.455 82 R N 0.344 120.905 120.500 0.101 0.000 2.092 82 R HA 0.105 4.433 4.340 -0.021 0.000 0.231 82 R C 2.836 179.132 176.300 -0.006 0.000 1.119 82 R CA 0.996 57.124 56.100 0.048 0.000 0.970 82 R CB -0.006 30.296 30.300 0.004 0.000 0.864 82 R HN 0.418 nan 8.270 nan 0.000 0.440 83 R N -0.871 119.619 120.500 -0.016 0.000 2.051 83 R HA -0.063 4.264 4.340 -0.021 0.000 0.225 83 R C 2.512 178.789 176.300 -0.039 0.000 1.155 83 R CA 1.316 57.400 56.100 -0.026 0.000 0.945 83 R CB -0.857 29.432 30.300 -0.019 0.000 0.840 83 R HN 0.227 nan 8.270 nan 0.000 0.432 84 c N 1.494 120.060 118.600 -0.056 0.000 2.391 84 c HA -0.140 4.418 4.570 -0.021 0.000 0.276 84 c C 2.510 176.554 174.090 -0.076 0.000 1.217 84 c CA 1.045 57.326 56.329 -0.079 0.000 1.766 84 c CB -1.195 41.240 42.510 -0.125 0.000 2.046 84 c HN 0.479 nan 8.230 nan 0.000 0.475 85 N N 0.248 118.917 118.700 -0.051 0.000 2.270 85 N HA -0.094 4.633 4.740 -0.021 0.000 0.181 85 N C 1.145 176.616 175.510 -0.066 0.000 1.016 85 N CA 1.464 54.485 53.050 -0.049 0.000 0.870 85 N CB -0.380 38.148 38.487 0.068 0.000 0.979 85 N HN 0.552 nan 8.380 nan 0.000 0.431 86 D N 0.200 120.569 120.400 -0.051 0.000 2.178 86 D HA 0.014 4.641 4.640 -0.021 0.000 0.202 86 D C 1.567 177.831 176.300 -0.060 0.000 0.974 86 D CA 0.699 54.661 54.000 -0.063 0.000 0.841 86 D CB -0.128 40.636 40.800 -0.059 0.000 0.953 86 D HN 0.258 nan 8.370 nan 0.000 0.478 87 A N -0.561 122.226 122.820 -0.055 0.000 2.168 87 A HA 0.356 4.663 4.320 -0.021 0.000 0.215 87 A C 1.958 179.510 177.584 -0.054 0.000 1.152 87 A CA 1.397 53.404 52.037 -0.051 0.000 0.716 87 A CB -0.303 18.668 19.000 -0.049 0.000 0.794 87 A HN 0.290 nan 8.150 nan 0.000 0.465 88 G N -2.129 106.632 108.800 -0.065 0.000 2.213 88 G HA2 -0.217 3.730 3.960 -0.021 0.000 0.236 88 G HA3 -0.217 3.730 3.960 -0.021 0.000 0.236 88 G C 0.242 175.107 174.900 -0.058 0.000 0.991 88 G CA 0.020 45.084 45.100 -0.059 0.000 0.629 88 G HN 0.821 nan 8.290 nan 0.000 0.517 89 V N 2.651 122.521 119.914 -0.074 0.000 2.390 89 V HA 0.389 4.496 4.120 -0.021 0.000 0.260 89 V C 1.199 177.233 176.094 -0.101 0.000 1.043 89 V CA -0.217 62.028 62.300 -0.091 0.000 1.047 89 V CB 0.368 32.123 31.823 -0.114 0.000 1.066 89 V HN 0.363 nan 8.190 nan 0.000 0.481 90 R N 4.459 124.918 120.500 -0.068 0.000 2.537 90 R HA 0.315 4.642 4.340 -0.021 0.000 0.280 90 R C -0.142 176.027 176.300 -0.218 0.000 1.058 90 R CA -0.067 55.972 56.100 -0.103 0.000 1.057 90 R CB 0.152 30.503 30.300 0.085 0.000 0.973 90 R HN 0.501 nan 8.270 nan 0.000 0.438 91 I N 4.330 124.670 120.570 -0.383 0.000 2.392 91 I HA 0.205 4.362 4.170 -0.021 0.000 0.295 91 I C -0.473 175.287 176.117 -0.595 0.000 0.985 91 I CA -0.588 60.492 61.300 -0.366 0.000 1.221 91 I CB 1.146 38.929 38.000 -0.362 0.000 1.366 91 I HN 0.524 nan 8.210 nan 0.000 0.467 92 Y N 4.450 124.706 120.300 -0.074 0.000 2.426 92 Y HA 0.337 4.875 4.550 -0.020 0.000 0.325 92 Y C 0.165 176.058 175.900 -0.011 0.000 0.989 92 Y CA -0.750 57.330 58.100 -0.033 0.000 1.284 92 Y CB 1.643 40.204 38.460 0.170 0.000 1.104 92 Y HN 0.196 nan 8.280 nan 0.000 0.481 93 V N 2.825 122.707 119.914 -0.054 0.000 2.637 93 V HA -0.040 4.067 4.120 -0.021 0.000 0.296 93 V C 0.316 176.570 176.094 0.267 0.000 1.046 93 V CA -0.176 62.194 62.300 0.116 0.000 1.066 93 V CB 0.856 32.752 31.823 0.120 0.000 0.968 93 V HN 0.627 nan 8.190 nan 0.000 0.483 94 D N 4.088 124.667 120.400 0.298 0.000 2.374 94 D HA 0.309 4.937 4.640 -0.021 0.000 0.240 94 D C 0.101 176.593 176.300 0.320 0.000 1.229 94 D CA -0.190 53.976 54.000 0.277 0.000 0.895 94 D CB 1.115 42.086 40.800 0.284 0.000 1.046 94 D HN 0.690 nan 8.370 nan 0.000 0.498 95 A N 4.462 127.474 122.820 0.319 0.000 2.391 95 A HA 0.342 4.650 4.320 -0.021 0.000 0.316 95 A C 0.044 177.759 177.584 0.218 0.000 1.381 95 A CA -0.650 51.571 52.037 0.308 0.000 0.998 95 A CB 0.354 19.466 19.000 0.188 0.000 1.147 95 A HN 0.392 nan 8.150 nan 0.000 0.545 96 V N 5.566 125.593 119.914 0.189 0.000 2.267 96 V HA 0.127 4.234 4.120 -0.021 0.000 0.254 96 V C 0.571 176.648 176.094 -0.027 0.000 1.144 96 V CA 0.268 62.619 62.300 0.085 0.000 0.992 96 V CB -0.646 31.212 31.823 0.059 0.000 1.199 96 V HN 0.794 nan 8.190 nan 0.000 0.493 97 I N 0.421 120.982 120.570 -0.014 0.000 3.283 97 I HA 0.509 4.666 4.170 -0.021 0.000 0.342 97 I C 0.668 176.737 176.117 -0.081 0.000 1.510 97 I CA -0.061 61.213 61.300 -0.044 0.000 1.006 97 I CB 0.022 38.032 38.000 0.016 0.000 1.596 97 I HN 0.421 nan 8.210 nan 0.000 0.509 98 N N 1.309 119.897 118.700 -0.186 0.000 2.297 98 N HA 0.090 4.818 4.740 -0.021 0.000 0.208 98 N C 0.257 175.725 175.510 -0.070 0.000 1.176 98 N CA 0.384 53.399 53.050 -0.059 0.000 0.882 98 N CB 0.531 39.084 38.487 0.110 0.000 1.134 98 N HN 0.750 nan 8.380 nan 0.000 0.489 99 H N -3.415 115.620 119.070 -0.059 0.000 2.984 99 H HA 0.540 5.083 4.556 -0.022 0.000 0.277 99 H C 0.010 175.218 175.328 -0.200 0.000 1.502 99 H CA -0.827 55.153 56.048 -0.113 0.000 1.195 99 H CB 0.520 30.269 29.762 -0.021 0.000 1.866 99 H HN -0.257 nan 8.280 nan 0.000 0.594 100 M N -0.210 119.412 119.600 0.036 0.000 3.130 100 M HA 0.314 4.781 4.480 -0.021 0.000 0.164 100 M C -0.021 176.331 176.300 0.086 0.000 1.938 100 M CA 1.000 56.180 55.300 -0.201 0.000 1.581 100 M CB -0.201 31.927 32.600 -0.787 0.000 1.028 100 M HN 0.875 nan 8.290 nan 0.000 0.599 101 T N -1.267 113.353 114.554 0.110 0.000 2.883 101 T HA 0.765 5.102 4.350 -0.021 0.000 0.296 101 T C -0.142 174.774 174.700 0.359 0.000 1.117 101 T CA -0.654 61.594 62.100 0.246 0.000 1.006 101 T CB 2.270 71.324 68.868 0.310 0.000 1.191 101 T HN 0.538 nan 8.240 nan 0.000 0.508 102 G N 0.839 109.854 108.800 0.359 0.000 4.040 102 G HA2 0.606 4.553 3.960 -0.021 0.000 0.328 102 G HA3 0.606 4.553 3.960 -0.021 0.000 0.328 102 G C -0.747 174.213 174.900 0.100 0.000 1.503 102 G CA -0.494 44.855 45.100 0.414 0.000 0.909 102 G HN 0.897 nan 8.290 nan 0.000 0.495 103 M N 0.037 119.620 119.600 -0.028 0.000 3.314 103 M HA 0.023 4.491 4.480 -0.021 0.000 0.232 103 M C -1.957 174.368 176.300 0.042 0.000 0.677 103 M CA -0.765 54.498 55.300 -0.062 0.000 0.900 103 M CB 0.935 33.568 32.600 0.055 0.000 1.406 103 M HN 0.332 nan 8.290 nan 0.000 0.584 104 N N -0.507 118.211 118.700 0.030 0.000 2.335 104 N HA 0.513 5.240 4.740 -0.021 0.000 0.304 104 N C 0.524 176.068 175.510 0.057 0.000 1.135 104 N CA 0.781 53.866 53.050 0.059 0.000 0.817 104 N CB 1.921 40.417 38.487 0.016 0.000 1.294 104 N HN 0.983 nan 8.380 nan 0.000 0.497 105 G N 0.179 109.011 108.800 0.053 0.000 2.337 105 G HA2 -0.297 3.650 3.960 -0.021 0.000 0.282 105 G HA3 -0.297 3.650 3.960 -0.021 0.000 0.282 105 G C 0.263 175.187 174.900 0.040 0.000 1.037 105 G CA 1.031 46.150 45.100 0.032 0.000 0.677 105 G HN 0.415 nan 8.290 nan 0.000 0.559 106 V N 1.380 121.324 119.914 0.050 0.000 2.299 106 V HA 0.572 4.679 4.120 -0.021 0.000 0.255 106 V C 1.206 177.326 176.094 0.043 0.000 1.100 106 V CA -0.471 61.850 62.300 0.035 0.000 0.938 106 V CB 0.507 32.346 31.823 0.026 0.000 1.139 106 V HN 0.482 nan 8.190 nan 0.000 0.490 107 G N 1.956 110.775 108.800 0.033 0.000 2.380 107 G HA2 0.250 4.197 3.960 -0.021 0.000 0.262 107 G HA3 0.250 4.197 3.960 -0.021 0.000 0.262 107 G C 0.937 175.814 174.900 -0.038 0.000 1.243 107 G CA 0.011 45.120 45.100 0.015 0.000 0.865 107 G HN 0.575 nan 8.290 nan 0.000 0.513 108 T N 0.630 115.125 114.554 -0.099 0.000 2.996 108 T HA -0.108 4.229 4.350 -0.021 0.000 0.271 108 T C 1.667 176.277 174.700 -0.150 0.000 1.126 108 T CA 1.880 63.870 62.100 -0.183 0.000 1.103 108 T CB -0.069 68.520 68.868 -0.466 0.000 0.870 108 T HN 0.463 nan 8.240 nan 0.000 0.528 109 S N -0.853 114.784 115.700 -0.105 0.000 2.617 109 S HA 0.481 4.938 4.470 -0.021 0.000 0.237 109 S C 1.196 175.777 174.600 -0.032 0.000 1.142 109 S CA 0.367 58.528 58.200 -0.065 0.000 1.167 109 S CB -0.598 62.568 63.200 -0.057 0.000 1.068 109 S HN 0.650 nan 8.310 nan 0.000 0.470 110 G N 1.326 110.109 108.800 -0.029 0.000 2.228 110 G HA2 -0.287 3.661 3.960 -0.021 0.000 0.270 110 G HA3 -0.287 3.661 3.960 -0.021 0.000 0.270 110 G C 0.253 175.152 174.900 -0.002 0.000 0.976 110 G CA 0.614 45.707 45.100 -0.013 0.000 0.636 110 G HN 0.770 nan 8.290 nan 0.000 0.542 111 S N 1.038 116.739 115.700 0.001 0.000 2.549 111 S HA 0.567 5.025 4.470 -0.021 0.000 0.279 111 S C 0.860 175.476 174.600 0.026 0.000 1.321 111 S CA 0.137 58.348 58.200 0.019 0.000 1.054 111 S CB 1.528 64.745 63.200 0.029 0.000 0.899 111 S HN 0.533 nan 8.310 nan 0.000 0.497 112 S N 1.458 117.171 115.700 0.022 0.000 2.640 112 S HA 0.690 5.147 4.470 -0.021 0.000 0.262 112 S C 0.124 174.734 174.600 0.018 0.000 1.232 112 S CA -0.647 57.558 58.200 0.010 0.000 0.988 112 S CB 0.701 63.892 63.200 -0.016 0.000 1.034 112 S HN 0.988 nan 8.310 nan 0.000 0.569 113 A N 1.558 124.358 122.820 -0.034 0.000 2.579 113 A HA 0.408 4.715 4.320 -0.021 0.000 0.288 113 A C -1.334 176.110 177.584 -0.233 0.000 1.079 113 A CA -0.684 51.268 52.037 -0.141 0.000 0.889 113 A CB 0.557 19.663 19.000 0.176 0.000 1.439 113 A HN 0.616 nan 8.150 nan 0.000 0.399 114 D N 1.808 121.963 120.400 -0.410 0.000 2.483 114 D HA 0.100 4.727 4.640 -0.021 0.000 0.220 114 D C 1.238 177.353 176.300 -0.308 0.000 1.173 114 D CA 0.136 53.974 54.000 -0.270 0.000 0.964 114 D CB 0.105 40.768 40.800 -0.228 0.000 1.046 114 D HN 0.595 nan 8.370 nan 0.000 0.517 115 H N 4.162 123.105 119.070 -0.213 0.000 2.290 115 H HA -0.156 4.387 4.556 -0.021 0.000 0.298 115 H C 0.550 175.815 175.328 -0.105 0.000 1.087 115 H CA 1.978 57.973 56.048 -0.088 0.000 1.291 115 H CB 0.416 30.187 29.762 0.015 0.000 1.369 115 H HN 0.525 nan 8.280 nan 0.000 0.492 116 D N -0.184 120.337 120.400 0.201 0.000 2.103 116 D HA -0.153 4.474 4.640 -0.021 0.000 0.190 116 D C 2.078 178.363 176.300 -0.025 0.000 0.997 116 D CA 1.666 55.740 54.000 0.124 0.000 0.833 116 D CB -0.770 40.058 40.800 0.047 0.000 0.961 116 D HN 0.534 nan 8.370 nan 0.000 0.447 117 G N -0.280 108.469 108.800 -0.086 0.000 2.920 117 G HA2 0.064 4.012 3.960 -0.021 0.000 0.208 117 G HA3 0.064 4.012 3.960 -0.021 0.000 0.208 117 G C 0.798 175.574 174.900 -0.206 0.000 1.159 117 G CA -0.156 44.871 45.100 -0.122 0.000 0.784 117 G HN 0.199 nan 8.290 nan 0.000 0.535 118 M N 0.208 119.625 119.600 -0.304 0.000 2.298 118 M HA -0.142 4.325 4.480 -0.021 0.000 0.196 118 M C -1.104 174.954 176.300 -0.403 0.000 0.531 118 M CA 0.230 55.237 55.300 -0.487 0.000 0.459 118 M CB -1.441 30.809 32.600 -0.583 0.000 1.279 118 M HN 0.172 nan 8.290 nan 0.000 0.915 119 N N 0.857 119.256 118.700 -0.501 0.000 2.314 119 N HA 0.605 5.332 4.740 -0.021 0.000 0.294 119 N C -1.541 173.534 175.510 -0.725 0.000 1.029 119 N CA -0.238 52.594 53.050 -0.364 0.000 0.845 119 N CB 1.226 39.575 38.487 -0.229 0.000 1.321 119 N HN 0.204 nan 8.380 nan 0.000 0.481 120 Y N 1.361 121.727 120.300 0.110 0.000 2.541 120 Y HA 0.297 4.835 4.550 -0.021 0.000 0.350 120 Y C -1.689 174.316 175.900 0.175 0.000 1.075 120 Y CA -1.426 56.756 58.100 0.136 0.000 1.302 120 Y CB 1.761 40.316 38.460 0.158 0.000 1.094 120 Y HN 0.407 nan 8.280 nan 0.000 0.579 121 P HA -0.167 nan 4.420 nan 0.000 0.217 121 P C 1.560 178.948 177.300 0.146 0.000 1.151 121 P CA 1.736 64.912 63.100 0.128 0.000 0.828 121 P CB 0.332 32.068 31.700 0.061 0.000 0.788 122 A N -0.163 122.745 122.820 0.146 0.000 1.986 122 A HA -0.185 4.122 4.320 -0.021 0.000 0.220 122 A C 2.276 179.952 177.584 0.152 0.000 1.171 122 A CA 2.027 54.136 52.037 0.118 0.000 0.640 122 A CB -1.765 17.285 19.000 0.084 0.000 0.811 122 A HN 0.064 nan 8.150 nan 0.000 0.451 123 V N 0.785 120.844 119.914 0.242 0.000 2.222 123 V HA -0.071 4.036 4.120 -0.021 0.000 0.240 123 V C -0.595 175.605 176.094 0.177 0.000 1.040 123 V CA 1.699 64.164 62.300 0.275 0.000 0.988 123 V CB -1.915 30.282 31.823 0.622 0.000 0.633 123 V HN 0.580 nan 8.190 nan 0.000 0.452 124 P HA 0.356 nan 4.420 nan 0.000 0.280 124 P C -1.795 175.641 177.300 0.226 0.000 1.272 124 P CA -0.124 63.106 63.100 0.217 0.000 0.819 124 P CB 0.876 32.658 31.700 0.138 0.000 1.122 125 Y N -1.451 119.027 120.300 0.297 0.000 2.399 125 Y HA 0.554 5.091 4.550 -0.021 0.000 0.327 125 Y C 0.460 176.552 175.900 0.320 0.000 1.111 125 Y CA -0.215 58.125 58.100 0.400 0.000 1.047 125 Y CB 2.266 41.050 38.460 0.540 0.000 1.259 125 Y HN 0.696 nan 8.280 nan 0.000 0.434 126 G N 0.290 109.334 108.800 0.407 0.000 2.733 126 G HA2 0.416 4.363 3.960 -0.021 0.000 0.288 126 G HA3 0.416 4.363 3.960 -0.021 0.000 0.288 126 G C 0.185 175.190 174.900 0.175 0.000 1.373 126 G CA -0.567 44.633 45.100 0.166 0.000 0.895 126 G HN 0.535 nan 8.290 nan 0.000 0.479 127 S N -0.179 115.517 115.700 -0.007 0.000 2.390 127 S HA -0.231 4.227 4.470 -0.021 0.000 0.234 127 S C 2.592 177.279 174.600 0.145 0.000 1.063 127 S CA 2.384 60.578 58.200 -0.010 0.000 1.108 127 S CB -0.729 62.449 63.200 -0.036 0.000 0.975 127 S HN 1.057 nan 8.310 nan 0.000 0.442 128 G N 1.722 110.583 108.800 0.102 0.000 2.469 128 G HA2 -0.258 3.689 3.960 -0.021 0.000 0.220 128 G HA3 -0.258 3.689 3.960 -0.021 0.000 0.220 128 G C 0.887 175.874 174.900 0.144 0.000 1.136 128 G CA 1.267 46.418 45.100 0.085 0.000 0.759 128 G HN 0.460 nan 8.290 nan 0.000 0.562 129 D N -0.311 120.246 120.400 0.262 0.000 2.312 129 D HA 0.054 4.682 4.640 -0.021 0.000 0.211 129 D C 0.296 176.746 176.300 0.250 0.000 0.964 129 D CA 0.376 54.557 54.000 0.302 0.000 0.877 129 D CB 0.003 41.093 40.800 0.485 0.000 0.924 129 D HN 0.237 nan 8.370 nan 0.000 0.515 130 F N -0.220 119.769 119.950 0.064 0.000 2.440 130 F HA 0.324 4.838 4.527 -0.021 0.000 0.328 130 F C 1.132 176.920 175.800 -0.019 0.000 1.070 130 F CA -1.136 56.884 58.000 0.033 0.000 1.011 130 F CB 0.520 39.565 39.000 0.076 0.000 1.226 130 F HN -0.216 nan 8.300 nan 0.000 0.491 131 H N -0.910 118.280 119.070 0.199 0.000 2.730 131 H HA 0.267 4.811 4.556 -0.021 0.000 0.376 131 H C 0.141 175.553 175.328 0.140 0.000 1.299 131 H CA 0.255 56.378 56.048 0.125 0.000 1.447 131 H CB 0.571 30.385 29.762 0.086 0.000 1.493 131 H HN 0.589 nan 8.280 nan 0.000 0.619 132 S N 2.580 118.423 115.700 0.239 0.000 2.564 132 S HA 0.165 4.622 4.470 -0.021 0.000 0.278 132 S C -2.380 172.300 174.600 0.134 0.000 1.333 132 S CA -1.443 56.847 58.200 0.150 0.000 1.048 132 S CB 0.588 63.851 63.200 0.106 0.000 0.900 132 S HN 0.420 nan 8.310 nan 0.000 0.505 133 P HA 0.383 nan 4.420 nan 0.000 0.271 133 P C -0.150 177.187 177.300 0.062 0.000 1.216 133 P CA -0.389 62.762 63.100 0.086 0.000 0.776 133 P CB 0.068 31.809 31.700 0.067 0.000 0.881 134 c N -0.142 118.490 118.600 0.055 0.000 3.167 134 c HA 0.645 5.202 4.570 -0.021 0.000 0.348 134 c C -1.198 172.909 174.090 0.028 0.000 1.394 134 c CA -0.754 55.597 56.329 0.036 0.000 1.204 134 c CB 0.817 43.343 42.510 0.027 0.000 1.467 134 c HN 0.545 nan 8.230 nan 0.000 0.446 135 E N -0.556 119.653 120.200 0.017 0.000 2.423 135 E HA 0.616 4.953 4.350 -0.021 0.000 0.269 135 E C -1.111 175.487 176.600 -0.004 0.000 0.948 135 E CA -0.762 55.642 56.400 0.007 0.000 0.802 135 E CB 1.733 31.441 29.700 0.013 0.000 1.339 135 E HN 0.638 nan 8.360 nan 0.000 0.445 136 V N 3.107 123.013 119.914 -0.013 0.000 2.359 136 V HA 0.032 4.140 4.120 -0.021 0.000 0.248 136 V C 0.320 176.446 176.094 0.054 0.000 1.091 136 V CA 0.550 62.842 62.300 -0.013 0.000 1.103 136 V CB -1.091 30.706 31.823 -0.044 0.000 1.176 136 V HN 0.562 nan 8.190 nan 0.000 0.488 137 N N 3.468 122.194 118.700 0.043 0.000 2.236 137 N HA 0.025 4.752 4.740 -0.021 0.000 0.195 137 N C 0.751 176.337 175.510 0.127 0.000 1.048 137 N CA 0.203 53.296 53.050 0.071 0.000 0.927 137 N CB 0.075 38.589 38.487 0.043 0.000 1.112 137 N HN 0.598 nan 8.380 nan 0.000 0.482 138 N N 0.005 118.765 118.700 0.100 0.000 2.422 138 N HA 0.085 4.813 4.740 -0.021 0.000 0.266 138 N C -0.643 174.965 175.510 0.165 0.000 1.007 138 N CA -0.240 52.892 53.050 0.138 0.000 0.941 138 N CB 0.643 39.177 38.487 0.079 0.000 1.115 138 N HN 0.268 nan 8.380 nan 0.000 0.492 139 Y N 1.298 121.608 120.300 0.016 0.000 2.553 139 Y HA 0.027 4.564 4.550 -0.022 0.000 0.303 139 Y C 1.789 177.692 175.900 0.005 0.000 1.194 139 Y CA 0.371 58.478 58.100 0.012 0.000 1.305 139 Y CB 0.132 38.594 38.460 0.004 0.000 1.045 139 Y HN 0.578 nan 8.280 nan 0.000 0.514 140 Q N -0.622 119.260 119.800 0.137 0.000 2.396 140 Q HA -0.003 4.324 4.340 -0.021 0.000 0.209 140 Q C -0.195 175.833 176.000 0.046 0.000 0.906 140 Q CA 0.429 56.279 55.803 0.078 0.000 0.927 140 Q CB 0.322 29.098 28.738 0.062 0.000 1.069 140 Q HN 0.425 nan 8.270 nan 0.000 0.523 141 D N -0.183 120.238 120.400 0.034 0.000 2.373 141 D HA 0.359 4.987 4.640 -0.021 0.000 0.227 141 D C 0.777 177.071 176.300 -0.011 0.000 1.091 141 D CA -0.007 54.000 54.000 0.012 0.000 0.840 141 D CB 1.157 41.963 40.800 0.009 0.000 1.060 141 D HN 0.048 nan 8.370 nan 0.000 0.502 142 A N 4.156 126.974 122.820 -0.004 0.000 1.884 142 A HA -0.254 4.053 4.320 -0.021 0.000 0.219 142 A C 1.650 179.219 177.584 -0.025 0.000 1.197 142 A CA 1.969 54.000 52.037 -0.010 0.000 0.637 142 A CB -0.396 18.607 19.000 0.006 0.000 0.827 142 A HN 0.768 nan 8.150 nan 0.000 0.450 143 D N -0.710 119.676 120.400 -0.023 0.000 2.317 143 D HA -0.107 4.521 4.640 -0.021 0.000 0.211 143 D C 1.547 177.813 176.300 -0.057 0.000 0.966 143 D CA 0.893 54.870 54.000 -0.037 0.000 0.876 143 D CB -0.642 40.141 40.800 -0.028 0.000 0.927 143 D HN 0.430 nan 8.370 nan 0.000 0.519 144 N N 1.618 120.289 118.700 -0.047 0.000 2.120 144 N HA -0.154 4.573 4.740 -0.021 0.000 0.188 144 N C 2.013 177.480 175.510 -0.071 0.000 1.024 144 N CA 1.968 54.987 53.050 -0.051 0.000 0.852 144 N CB -0.063 38.404 38.487 -0.034 0.000 1.003 144 N HN 0.226 nan 8.380 nan 0.000 0.424 145 V N -1.664 118.192 119.914 -0.096 0.000 2.591 145 V HA 0.076 4.183 4.120 -0.021 0.000 0.249 145 V C 2.284 178.432 176.094 0.090 0.000 1.053 145 V CA 1.063 63.311 62.300 -0.087 0.000 1.068 145 V CB -0.466 31.173 31.823 -0.307 0.000 0.689 145 V HN 0.134 nan 8.190 nan 0.000 0.462 146 R N 0.912 121.406 120.500 -0.010 0.000 2.066 146 R HA 0.098 4.425 4.340 -0.021 0.000 0.224 146 R C 1.924 178.145 176.300 -0.132 0.000 1.122 146 R CA 1.756 57.852 56.100 -0.006 0.000 0.974 146 R CB -0.320 29.966 30.300 -0.023 0.000 0.871 146 R HN 0.590 nan 8.270 nan 0.000 0.435 147 N N -0.915 117.648 118.700 -0.228 0.000 2.336 147 N HA 0.065 4.793 4.740 -0.021 0.000 0.189 147 N C -0.301 175.049 175.510 -0.267 0.000 1.113 147 N CA -0.245 52.511 53.050 -0.489 0.000 0.858 147 N CB 0.524 38.800 38.487 -0.350 0.000 0.970 147 N HN 0.061 nan 8.380 nan 0.000 0.471 148 c N 0.298 118.826 118.600 -0.121 0.000 2.564 148 c HA 0.308 4.865 4.570 -0.021 0.000 0.381 148 c C 0.254 174.328 174.090 -0.026 0.000 1.297 148 c CA -1.035 55.268 56.329 -0.043 0.000 1.846 148 c CB 1.311 43.802 42.510 -0.031 0.000 2.198 148 c HN 0.319 nan 8.230 nan 0.000 0.507 149 E N 1.516 121.716 120.200 -0.000 0.000 1.932 149 E HA 0.172 4.509 4.350 -0.021 0.000 0.275 149 E C -0.723 175.832 176.600 -0.074 0.000 1.159 149 E CA -0.195 56.202 56.400 -0.004 0.000 0.905 149 E CB 0.480 30.207 29.700 0.044 0.000 1.059 149 E HN 0.368 nan 8.360 nan 0.000 0.400 150 L N 4.918 126.040 121.223 -0.169 0.000 2.638 150 L HA -0.077 4.250 4.340 -0.021 0.000 0.273 150 L C -0.140 176.615 176.870 -0.191 0.000 1.147 150 L CA 0.444 55.115 54.840 -0.281 0.000 0.941 150 L CB 0.013 41.748 42.059 -0.540 0.000 1.251 150 L HN 0.424 nan 8.230 nan 0.000 0.479 151 V N 5.474 125.318 119.914 -0.116 0.000 6.104 151 V HA -0.222 3.886 4.120 -0.021 0.000 0.260 151 V C 1.533 177.588 176.094 -0.065 0.000 0.610 151 V CA 1.055 63.299 62.300 -0.093 0.000 0.645 151 V CB -1.987 29.758 31.823 -0.130 0.000 0.494 151 V HN 1.433 nan 8.190 nan 0.000 0.545 152 G N 1.904 110.694 108.800 -0.017 0.000 2.468 152 G HA2 -0.261 3.686 3.960 -0.021 0.000 0.311 152 G HA3 -0.261 3.686 3.960 -0.021 0.000 0.311 152 G C -0.099 174.867 174.900 0.111 0.000 0.942 152 G CA 0.746 45.878 45.100 0.052 0.000 0.893 152 G HN 0.960 nan 8.290 nan 0.000 0.513 153 L N 0.618 121.855 121.223 0.022 0.000 2.264 153 L HA 0.433 4.760 4.340 -0.021 0.000 0.289 153 L C 0.828 177.751 176.870 0.088 0.000 1.044 153 L CA -1.233 53.616 54.840 0.015 0.000 0.807 153 L CB 1.153 43.066 42.059 -0.244 0.000 1.192 153 L HN 0.095 nan 8.230 nan 0.000 0.425 154 R N 2.340 122.926 120.500 0.143 0.000 2.633 154 R HA -0.078 4.249 4.340 -0.021 0.000 0.357 154 R C -0.522 175.989 176.300 0.352 0.000 0.923 154 R CA -0.069 56.197 56.100 0.277 0.000 1.046 154 R CB -0.757 29.732 30.300 0.316 0.000 0.924 154 R HN 0.481 nan 8.270 nan 0.000 0.413 155 D N 3.118 123.694 120.400 0.292 0.000 2.346 155 D HA 0.067 4.695 4.640 -0.021 0.000 0.260 155 D C 0.192 176.530 176.300 0.063 0.000 1.252 155 D CA -0.018 54.103 54.000 0.202 0.000 0.895 155 D CB 0.496 41.422 40.800 0.209 0.000 1.097 155 D HN 0.278 nan 8.370 nan 0.000 0.489 156 L N 3.208 124.300 121.223 -0.219 0.000 2.452 156 L HA 0.167 4.494 4.340 -0.021 0.000 0.267 156 L C 0.831 177.582 176.870 -0.197 0.000 1.188 156 L CA -0.408 54.140 54.840 -0.486 0.000 0.821 156 L CB 0.395 42.190 42.059 -0.440 0.000 1.102 156 L HN 0.401 nan 8.230 nan 0.000 0.470 157 N N 1.313 119.790 118.700 -0.372 0.000 2.589 157 N HA 0.237 4.964 4.740 -0.021 0.000 0.232 157 N C 0.300 175.682 175.510 -0.213 0.000 1.015 157 N CA -0.249 52.448 53.050 -0.588 0.000 0.931 157 N CB 1.462 39.554 38.487 -0.657 0.000 1.150 157 N HN 0.638 nan 8.380 nan 0.000 0.512 158 A N 2.207 124.981 122.820 -0.076 0.000 2.255 158 A HA 0.141 4.449 4.320 -0.021 0.000 0.206 158 A C 1.650 179.197 177.584 -0.063 0.000 1.193 158 A CA 0.782 52.785 52.037 -0.057 0.000 0.794 158 A CB -0.475 18.498 19.000 -0.044 0.000 0.794 158 A HN 0.644 nan 8.150 nan 0.000 0.481 159 G N -0.244 108.517 108.800 -0.065 0.000 2.539 159 G HA2 0.160 4.107 3.960 -0.021 0.000 0.215 159 G HA3 0.160 4.107 3.960 -0.021 0.000 0.215 159 G C 1.023 175.897 174.900 -0.044 0.000 1.141 159 G CA 0.728 45.801 45.100 -0.044 0.000 0.806 159 G HN 0.719 nan 8.290 nan 0.000 0.533 160 S N 0.411 116.083 115.700 -0.047 0.000 2.592 160 S HA 0.194 4.652 4.470 -0.021 0.000 0.271 160 S C 0.685 175.283 174.600 -0.004 0.000 1.326 160 S CA -0.127 58.066 58.200 -0.012 0.000 1.024 160 S CB 1.460 64.669 63.200 0.015 0.000 0.921 160 S HN 0.066 nan 8.310 nan 0.000 0.527 161 D N 0.620 121.028 120.400 0.014 0.000 2.149 161 D HA -0.045 4.582 4.640 -0.021 0.000 0.201 161 D C 1.400 177.707 176.300 0.011 0.000 0.972 161 D CA 1.375 55.377 54.000 0.003 0.000 0.835 161 D CB -0.519 40.287 40.800 0.011 0.000 0.966 161 D HN 0.757 nan 8.370 nan 0.000 0.476 162 Y N 1.714 121.978 120.300 -0.061 0.000 2.089 162 Y HA -0.231 4.306 4.550 -0.021 0.000 0.282 162 Y C 2.242 178.084 175.900 -0.097 0.000 1.139 162 Y CA 1.303 59.356 58.100 -0.079 0.000 1.123 162 Y CB -0.429 37.982 38.460 -0.081 0.000 0.980 162 Y HN -0.210 nan 8.280 nan 0.000 0.493 163 V N 1.110 121.028 119.914 0.007 0.000 2.332 163 V HA -0.336 3.771 4.120 -0.021 0.000 0.248 163 V C 2.381 178.411 176.094 -0.106 0.000 1.055 163 V CA 2.368 64.639 62.300 -0.049 0.000 1.038 163 V CB -0.679 31.171 31.823 0.045 0.000 0.651 163 V HN 0.372 nan 8.190 nan 0.000 0.450 164 R N 0.174 120.617 120.500 -0.095 0.000 2.081 164 R HA -0.088 4.240 4.340 -0.021 0.000 0.235 164 R C 2.528 178.744 176.300 -0.140 0.000 1.131 164 R CA 1.405 57.441 56.100 -0.107 0.000 0.960 164 R CB -0.906 29.338 30.300 -0.093 0.000 0.856 164 R HN 0.592 nan 8.270 nan 0.000 0.436 165 G N 1.200 109.897 108.800 -0.172 0.000 2.491 165 G HA2 -0.286 3.662 3.960 -0.021 0.000 0.218 165 G HA3 -0.286 3.662 3.960 -0.021 0.000 0.218 165 G C 1.573 176.327 174.900 -0.243 0.000 1.180 165 G CA 1.509 46.487 45.100 -0.203 0.000 0.774 165 G HN 0.292 nan 8.290 nan 0.000 0.562 166 V N -0.550 119.157 119.914 -0.345 0.000 2.255 166 V HA -0.139 3.968 4.120 -0.021 0.000 0.247 166 V C 2.696 178.646 176.094 -0.241 0.000 1.051 166 V CA 1.526 63.646 62.300 -0.300 0.000 1.018 166 V CB -0.988 30.639 31.823 -0.327 0.000 0.641 166 V HN 0.150 nan 8.190 nan 0.000 0.445 167 L N 0.205 121.301 121.223 -0.211 0.000 1.990 167 L HA -0.148 4.179 4.340 -0.021 0.000 0.213 167 L C 2.601 179.373 176.870 -0.165 0.000 1.072 167 L CA 2.067 56.782 54.840 -0.209 0.000 0.755 167 L CB -1.359 40.625 42.059 -0.124 0.000 0.889 167 L HN 0.332 nan 8.230 nan 0.000 0.432 168 I N -0.334 120.149 120.570 -0.146 0.000 2.151 168 I HA -0.359 3.798 4.170 -0.021 0.000 0.243 168 I C 2.206 178.249 176.117 -0.124 0.000 1.080 168 I CA 1.517 62.739 61.300 -0.131 0.000 1.339 168 I CB -0.501 37.434 38.000 -0.108 0.000 1.039 168 I HN 0.284 nan 8.210 nan 0.000 0.409 169 D N -0.051 120.282 120.400 -0.112 0.000 2.123 169 D HA -0.241 4.386 4.640 -0.021 0.000 0.196 169 D C 1.907 178.201 176.300 -0.011 0.000 0.992 169 D CA 1.392 55.351 54.000 -0.067 0.000 0.833 169 D CB -0.424 40.333 40.800 -0.071 0.000 0.954 169 D HN 0.381 nan 8.370 nan 0.000 0.455 170 Y N 1.418 121.596 120.300 -0.204 0.000 2.097 170 Y HA -0.214 4.323 4.550 -0.021 0.000 0.282 170 Y C 2.326 178.140 175.900 -0.144 0.000 1.152 170 Y CA 1.547 59.523 58.100 -0.207 0.000 1.136 170 Y CB -0.545 37.596 38.460 -0.531 0.000 0.975 170 Y HN -0.110 nan 8.280 nan 0.000 0.498 171 M N 0.130 119.421 119.600 -0.515 0.000 2.067 171 M HA -0.268 4.199 4.480 -0.021 0.000 0.260 171 M C 2.038 178.190 176.300 -0.247 0.000 1.069 171 M CA 2.000 56.909 55.300 -0.652 0.000 1.117 171 M CB -0.808 31.331 32.600 -0.767 0.000 1.334 171 M HN 0.323 nan 8.290 nan 0.000 0.407 172 N N -0.173 118.437 118.700 -0.149 0.000 2.094 172 N HA -0.231 4.497 4.740 -0.021 0.000 0.191 172 N C 1.685 177.205 175.510 0.016 0.000 1.023 172 N CA 1.541 54.563 53.050 -0.047 0.000 0.857 172 N CB -0.619 37.842 38.487 -0.044 0.000 1.013 172 N HN 0.582 nan 8.380 nan 0.000 0.426 173 H N 0.394 119.395 119.070 -0.114 0.000 2.319 173 H HA -0.104 4.439 4.556 -0.021 0.000 0.297 173 H C 2.040 177.307 175.328 -0.102 0.000 1.097 173 H CA 1.336 57.332 56.048 -0.087 0.000 1.285 173 H CB 0.224 29.946 29.762 -0.067 0.000 1.368 173 H HN 0.086 nan 8.280 nan 0.000 0.495 174 M N 0.455 119.977 119.600 -0.129 0.000 2.132 174 M HA -0.131 4.336 4.480 -0.021 0.000 0.263 174 M C 2.562 178.823 176.300 -0.065 0.000 1.065 174 M CA 1.076 56.278 55.300 -0.163 0.000 1.122 174 M CB -0.707 31.826 32.600 -0.113 0.000 1.365 174 M HN 0.416 nan 8.290 nan 0.000 0.411 175 I N 0.243 120.809 120.570 -0.006 0.000 2.361 175 I HA -0.288 3.869 4.170 -0.021 0.000 0.251 175 I C 2.226 178.297 176.117 -0.076 0.000 1.133 175 I CA 1.191 62.452 61.300 -0.064 0.000 1.413 175 I CB -0.539 37.447 38.000 -0.024 0.000 1.073 175 I HN 0.270 nan 8.210 nan 0.000 0.424 176 D N 1.300 121.701 120.400 0.002 0.000 2.117 176 D HA -0.133 4.494 4.640 -0.021 0.000 0.198 176 D C 2.213 178.555 176.300 0.070 0.000 0.982 176 D CA 1.327 55.363 54.000 0.061 0.000 0.828 176 D CB -0.068 40.794 40.800 0.104 0.000 0.967 176 D HN 0.249 nan 8.370 nan 0.000 0.464 177 L N -1.236 120.011 121.223 0.040 0.000 2.275 177 L HA 0.094 4.421 4.340 -0.021 0.000 0.215 177 L C 1.938 178.654 176.870 -0.257 0.000 1.119 177 L CA 1.125 56.005 54.840 0.067 0.000 0.790 177 L CB -0.070 42.044 42.059 0.093 0.000 0.919 177 L HN 0.397 nan 8.230 nan 0.000 0.443 178 G N -1.006 107.478 108.800 -0.527 0.000 3.006 178 G HA2 -0.201 3.747 3.960 -0.021 0.000 0.195 178 G HA3 -0.201 3.747 3.960 -0.021 0.000 0.195 178 G C 0.359 174.991 174.900 -0.447 0.000 1.034 178 G CA -0.111 44.354 45.100 -1.058 0.000 0.807 178 G HN 0.072 nan 8.290 nan 0.000 0.469 179 V N 0.389 120.096 119.914 -0.345 0.000 3.083 179 V HA 0.492 4.599 4.120 -0.021 0.000 0.303 179 V C 1.328 177.154 176.094 -0.448 0.000 1.151 179 V CA 1.309 63.368 62.300 -0.402 0.000 1.275 179 V CB 1.244 32.768 31.823 -0.498 0.000 0.950 179 V HN 1.577 nan 8.190 nan 0.000 0.506 180 A N 2.399 124.904 122.820 -0.526 0.000 2.382 180 A HA 0.781 5.088 4.320 -0.021 0.000 0.228 180 A C 0.980 178.415 177.584 -0.247 0.000 1.217 180 A CA 0.501 52.272 52.037 -0.444 0.000 0.923 180 A CB -0.064 18.811 19.000 -0.209 0.000 0.979 180 A HN 1.816 nan 8.150 nan 0.000 0.515 181 G N -1.579 106.975 108.800 -0.410 0.000 2.645 181 G HA2 0.570 4.517 3.960 -0.021 0.000 0.292 181 G HA3 0.570 4.517 3.960 -0.021 0.000 0.292 181 G C -1.745 172.894 174.900 -0.435 0.000 1.415 181 G CA -0.564 44.561 45.100 0.041 0.000 0.785 181 G HN 0.105 nan 8.290 nan 0.000 0.483 182 F N -0.266 119.789 119.950 0.175 0.000 2.588 182 F HA 0.510 5.023 4.527 -0.022 0.000 0.318 182 F C 0.150 175.841 175.800 -0.181 0.000 1.155 182 F CA -0.813 57.189 58.000 0.004 0.000 0.967 182 F CB 2.592 41.514 39.000 -0.129 0.000 1.236 182 F HN 0.453 nan 8.300 nan 0.000 0.455 183 R N 3.749 124.175 120.500 -0.123 0.000 2.369 183 R HA 0.560 4.888 4.340 -0.021 0.000 0.310 183 R C -1.473 174.711 176.300 -0.193 0.000 1.141 183 R CA -0.296 55.362 56.100 -0.736 0.000 1.116 183 R CB 0.562 30.552 30.300 -0.516 0.000 1.135 183 R HN 0.529 nan 8.270 nan 0.000 0.529 184 V N 4.222 124.049 119.914 -0.144 0.000 2.485 184 V HA -0.068 4.039 4.120 -0.021 0.000 0.287 184 V C 0.418 176.573 176.094 0.101 0.000 1.022 184 V CA 0.229 62.569 62.300 0.066 0.000 1.067 184 V CB 0.722 32.658 31.823 0.187 0.000 0.967 184 V HN 0.710 nan 8.190 nan 0.000 0.479 185 D N 5.022 125.522 120.400 0.167 0.000 2.339 185 D HA 0.456 5.083 4.640 -0.021 0.000 0.256 185 D C 0.584 177.015 176.300 0.219 0.000 1.214 185 D CA 0.771 54.906 54.000 0.225 0.000 0.877 185 D CB 0.425 41.419 40.800 0.323 0.000 1.111 185 D HN 1.096 nan 8.370 nan 0.000 0.478 186 A N 3.422 126.364 122.820 0.204 0.000 2.237 186 A HA -0.032 4.275 4.320 -0.021 0.000 0.281 186 A C 1.421 179.103 177.584 0.163 0.000 1.414 186 A CA 0.782 52.944 52.037 0.208 0.000 0.733 186 A CB -1.835 17.368 19.000 0.339 0.000 1.168 186 A HN 0.827 nan 8.150 nan 0.000 0.347 187 A N 1.080 123.945 122.820 0.076 0.000 1.968 187 A HA -0.041 4.266 4.320 -0.021 0.000 0.217 187 A C 1.921 179.474 177.584 -0.053 0.000 1.169 187 A CA 1.910 53.999 52.037 0.086 0.000 0.638 187 A CB -0.251 18.770 19.000 0.035 0.000 0.812 187 A HN 0.998 nan 8.150 nan 0.000 0.446 188 K N -0.650 119.584 120.400 -0.277 0.000 2.281 188 K HA -0.191 4.116 4.320 -0.021 0.000 0.203 188 K C 0.489 176.905 176.600 -0.306 0.000 1.046 188 K CA 1.298 57.370 56.287 -0.358 0.000 0.938 188 K CB -0.225 32.012 32.500 -0.439 0.000 0.737 188 K HN 0.627 nan 8.250 nan 0.000 0.458 189 H N -0.349 118.743 119.070 0.035 0.000 2.568 189 H HA 0.243 4.787 4.556 -0.020 0.000 0.302 189 H C -0.311 175.055 175.328 0.063 0.000 1.065 189 H CA 0.203 56.266 56.048 0.024 0.000 1.140 189 H CB -0.036 29.741 29.762 0.025 0.000 1.474 189 H HN 0.148 nan 8.280 nan 0.000 0.545 190 M N 0.002 119.715 119.600 0.188 0.000 2.433 190 M HA 0.215 4.682 4.480 -0.021 0.000 0.290 190 M C -0.113 176.267 176.300 0.133 0.000 1.173 190 M CA -0.594 54.800 55.300 0.156 0.000 0.905 190 M CB 2.709 35.400 32.600 0.153 0.000 1.692 190 M HN -0.210 nan 8.290 nan 0.000 0.462 191 S N 3.338 119.066 115.700 0.047 0.000 2.498 191 S HA 0.127 4.584 4.470 -0.021 0.000 0.281 191 S C -1.643 172.888 174.600 -0.115 0.000 1.265 191 S CA -0.880 57.311 58.200 -0.016 0.000 1.071 191 S CB 0.298 63.492 63.200 -0.010 0.000 0.894 191 S HN 0.437 nan 8.310 nan 0.000 0.491 192 P HA -0.045 nan 4.420 nan 0.000 0.225 192 P C 1.572 178.742 177.300 -0.217 0.000 1.148 192 P CA 0.692 63.619 63.100 -0.288 0.000 0.779 192 P CB -0.113 31.348 31.700 -0.399 0.000 0.780 193 G N 1.573 110.284 108.800 -0.148 0.000 2.476 193 G HA2 -0.263 3.685 3.960 -0.021 0.000 0.218 193 G HA3 -0.263 3.685 3.960 -0.021 0.000 0.218 193 G C 0.852 175.641 174.900 -0.186 0.000 1.164 193 G CA 1.430 46.458 45.100 -0.119 0.000 0.768 193 G HN 0.366 nan 8.290 nan 0.000 0.560 194 D N -0.410 119.866 120.400 -0.208 0.000 2.379 194 D HA 0.115 4.743 4.640 -0.021 0.000 0.208 194 D C 2.086 178.148 176.300 -0.397 0.000 1.065 194 D CA -0.281 53.578 54.000 -0.235 0.000 0.848 194 D CB -0.278 40.433 40.800 -0.149 0.000 0.949 194 D HN 0.328 nan 8.370 nan 0.000 0.509 195 L N 0.902 121.805 121.223 -0.533 0.000 2.265 195 L HA -0.156 4.171 4.340 -0.021 0.000 0.215 195 L C 2.249 178.247 176.870 -1.455 0.000 1.117 195 L CA 1.485 55.768 54.840 -0.929 0.000 0.782 195 L CB -0.222 41.344 42.059 -0.822 0.000 0.914 195 L HN 0.245 nan 8.230 nan 0.000 0.441 196 S N -1.314 113.743 115.700 -1.071 0.000 2.356 196 S HA -0.099 4.358 4.470 -0.021 0.000 0.219 196 S C 1.867 176.223 174.600 -0.407 0.000 1.036 196 S CA 0.772 58.459 58.200 -0.855 0.000 0.965 196 S CB -0.497 62.351 63.200 -0.586 0.000 0.864 196 S HN 0.123 nan 8.310 nan 0.000 0.471 197 V N 2.542 122.268 119.914 -0.313 0.000 2.380 197 V HA -0.168 3.939 4.120 -0.021 0.000 0.251 197 V C 2.499 178.498 176.094 -0.158 0.000 1.063 197 V CA 2.062 64.253 62.300 -0.181 0.000 1.055 197 V CB -0.869 30.865 31.823 -0.148 0.000 0.657 197 V HN 0.523 nan 8.190 nan 0.000 0.455 198 I N -1.019 119.414 120.570 -0.228 0.000 2.252 198 I HA -0.164 3.994 4.170 -0.021 0.000 0.245 198 I C 1.968 178.117 176.117 0.054 0.000 1.102 198 I CA 1.292 62.516 61.300 -0.126 0.000 1.385 198 I CB -0.363 37.536 38.000 -0.167 0.000 1.064 198 I HN 0.238 nan 8.210 nan 0.000 0.414 199 F N 1.031 120.855 119.950 -0.210 0.000 2.805 199 F HA -0.072 4.442 4.527 -0.022 0.000 0.301 199 F C 1.607 177.338 175.800 -0.115 0.000 1.196 199 F CA 0.482 58.380 58.000 -0.169 0.000 1.439 199 F CB -1.075 37.807 39.000 -0.197 0.000 1.117 199 F HN 0.187 nan 8.300 nan 0.000 0.581 200 D N -1.060 119.372 120.400 0.054 0.000 2.716 200 D HA 0.074 4.701 4.640 -0.021 0.000 0.273 200 D C 2.498 178.796 176.300 -0.004 0.000 1.024 200 D CA 0.946 54.956 54.000 0.016 0.000 0.944 200 D CB -0.773 40.019 40.800 -0.014 0.000 1.186 200 D HN 0.236 nan 8.370 nan 0.000 0.485 201 G N 1.236 110.022 108.800 -0.023 0.000 2.485 201 G HA2 -0.174 3.773 3.960 -0.021 0.000 0.221 201 G HA3 -0.174 3.773 3.960 -0.021 0.000 0.221 201 G C 0.672 175.553 174.900 -0.033 0.000 1.115 201 G CA 0.257 45.336 45.100 -0.034 0.000 0.751 201 G HN 0.131 nan 8.290 nan 0.000 0.567 202 L N 1.392 122.598 121.223 -0.029 0.000 2.700 202 L HA 0.098 4.425 4.340 -0.021 0.000 0.272 202 L C 0.786 177.643 176.870 -0.022 0.000 1.176 202 L CA 0.601 55.420 54.840 -0.034 0.000 0.961 202 L CB 0.131 42.172 42.059 -0.031 0.000 1.249 202 L HN 0.126 nan 8.230 nan 0.000 0.487 203 K N 3.295 123.680 120.400 -0.025 0.000 2.154 203 K HA 0.226 4.533 4.320 -0.021 0.000 0.264 203 K C 0.256 176.838 176.600 -0.030 0.000 1.008 203 K CA -0.635 55.640 56.287 -0.020 0.000 0.937 203 K CB 0.556 33.046 32.500 -0.016 0.000 1.002 203 K HN 0.555 nan 8.250 nan 0.000 0.469 204 N N 1.227 119.911 118.700 -0.026 0.000 2.226 204 N HA -0.123 4.604 4.740 -0.021 0.000 0.232 204 N C -0.147 175.319 175.510 -0.074 0.000 1.255 204 N CA -0.264 52.760 53.050 -0.044 0.000 0.855 204 N CB 0.131 38.606 38.487 -0.020 0.000 1.095 204 N HN 0.234 nan 8.380 nan 0.000 0.444 205 L N 1.151 122.282 121.223 -0.153 0.000 2.517 205 L HA -0.108 4.220 4.340 -0.021 0.000 0.294 205 L C 1.091 177.934 176.870 -0.046 0.000 1.264 205 L CA 0.059 54.747 54.840 -0.254 0.000 0.839 205 L CB -0.083 41.577 42.059 -0.665 0.000 1.098 205 L HN 0.584 nan 8.230 nan 0.000 0.525 206 N N 0.809 119.523 118.700 0.023 0.000 2.406 206 N HA -0.016 4.711 4.740 -0.021 0.000 0.265 206 N C 0.884 176.583 175.510 0.315 0.000 1.203 206 N CA 0.280 53.442 53.050 0.187 0.000 0.945 206 N CB 0.797 39.444 38.487 0.267 0.000 1.165 206 N HN 0.560 nan 8.380 nan 0.000 0.485 207 T N 2.041 116.718 114.554 0.204 0.000 2.649 207 T HA -0.199 4.138 4.350 -0.021 0.000 0.268 207 T C 0.592 175.405 174.700 0.188 0.000 1.036 207 T CA 1.597 63.808 62.100 0.185 0.000 1.157 207 T CB -0.200 68.731 68.868 0.105 0.000 0.861 207 T HN 0.559 nan 8.240 nan 0.000 0.445 208 D N -0.087 120.410 120.400 0.163 0.000 2.411 208 D HA -0.047 4.580 4.640 -0.021 0.000 0.226 208 D C 1.013 177.288 176.300 -0.041 0.000 0.988 208 D CA 0.737 54.769 54.000 0.053 0.000 0.938 208 D CB -0.167 40.630 40.800 -0.005 0.000 0.883 208 D HN 0.549 nan 8.370 nan 0.000 0.525 209 Y N -0.826 119.500 120.300 0.042 0.000 2.507 209 Y HA 0.279 4.816 4.550 -0.021 0.000 0.263 209 Y C 2.116 177.891 175.900 -0.208 0.000 1.093 209 Y CA 0.546 58.614 58.100 -0.053 0.000 1.285 209 Y CB 1.108 39.574 38.460 0.009 0.000 1.115 209 Y HN 0.067 nan 8.280 nan 0.000 0.533 210 G N -1.442 107.328 108.800 -0.050 0.000 2.485 210 G HA2 -0.190 3.757 3.960 -0.021 0.000 0.181 210 G HA3 -0.190 3.757 3.960 -0.021 0.000 0.181 210 G C -0.090 174.726 174.900 -0.140 0.000 0.999 210 G CA -0.789 44.222 45.100 -0.149 0.000 0.721 210 G HN 0.014 nan 8.290 nan 0.000 0.486 211 F N 2.162 122.146 119.950 0.057 0.000 2.602 211 F HA 0.493 5.007 4.527 -0.021 0.000 0.367 211 F C 1.353 177.167 175.800 0.023 0.000 1.126 211 F CA 0.268 58.288 58.000 0.033 0.000 1.321 211 F CB 0.749 39.765 39.000 0.028 0.000 1.094 211 F HN 0.288 nan 8.300 nan 0.000 0.594 212 A N 3.676 126.629 122.820 0.222 0.000 2.500 212 A HA 0.076 4.383 4.320 -0.021 0.000 0.285 212 A C -0.014 177.634 177.584 0.107 0.000 1.183 212 A CA -0.754 51.355 52.037 0.120 0.000 0.851 212 A CB -0.890 18.161 19.000 0.084 0.000 1.091 212 A HN 0.690 nan 8.150 nan 0.000 0.521 213 D N 2.355 122.808 120.400 0.088 0.000 4.428 213 D HA -0.027 4.600 4.640 -0.021 0.000 0.170 213 D C 1.427 177.756 176.300 0.048 0.000 1.041 213 D CA 2.422 56.461 54.000 0.066 0.000 0.673 213 D CB -0.066 40.761 40.800 0.046 0.000 1.183 213 D HN 1.316 nan 8.370 nan 0.000 0.623 214 G N 1.221 110.044 108.800 0.039 0.000 2.153 214 G HA2 -0.178 3.769 3.960 -0.021 0.000 0.252 214 G HA3 -0.178 3.769 3.960 -0.021 0.000 0.252 214 G C 0.459 175.366 174.900 0.012 0.000 0.994 214 G CA 0.470 45.582 45.100 0.021 0.000 0.698 214 G HN 0.971 nan 8.290 nan 0.000 0.521 215 A N 0.418 123.245 122.820 0.012 0.000 2.409 215 A HA 0.692 5.000 4.320 -0.021 0.000 0.262 215 A C 0.939 178.487 177.584 -0.059 0.000 1.113 215 A CA -0.278 51.756 52.037 -0.005 0.000 0.790 215 A CB 0.449 19.465 19.000 0.027 0.000 1.046 215 A HN 0.363 nan 8.150 nan 0.000 0.496 216 R N 1.944 122.426 120.500 -0.029 0.000 2.615 216 R HA 0.336 4.663 4.340 -0.021 0.000 0.270 216 R C -2.625 173.652 176.300 -0.038 0.000 1.081 216 R CA -1.996 54.089 56.100 -0.026 0.000 1.154 216 R CB -0.337 29.974 30.300 0.018 0.000 1.063 216 R HN 0.467 nan 8.270 nan 0.000 0.519 217 P HA 0.034 nan 4.420 nan 0.000 0.276 217 P C -0.297 177.077 177.300 0.124 0.000 1.243 217 P CA -0.359 62.740 63.100 -0.003 0.000 0.768 217 P CB 0.102 31.827 31.700 0.042 0.000 0.856 218 F N 5.377 125.349 119.950 0.036 0.000 2.602 218 F HA 0.082 4.596 4.527 -0.022 0.000 0.385 218 F C -0.205 175.691 175.800 0.160 0.000 1.063 218 F CA 0.023 58.093 58.000 0.116 0.000 1.233 218 F CB -0.084 39.060 39.000 0.240 0.000 1.067 218 F HN 0.164 nan 8.300 nan 0.000 0.564 219 I N 9.304 129.649 120.570 -0.374 0.000 2.439 219 I HA 0.160 4.317 4.170 -0.021 0.000 0.283 219 I C -0.982 174.864 176.117 -0.451 0.000 1.023 219 I CA -0.747 60.321 61.300 -0.386 0.000 1.100 219 I CB 0.767 38.540 38.000 -0.378 0.000 1.238 219 I HN 0.526 nan 8.210 nan 0.000 0.445 220 Y N 4.803 124.709 120.300 -0.656 0.000 2.468 220 Y HA 0.825 5.362 4.550 -0.022 0.000 0.342 220 Y C -0.713 175.124 175.900 -0.104 0.000 1.021 220 Y CA -1.339 56.523 58.100 -0.396 0.000 1.079 220 Y CB 1.140 39.327 38.460 -0.456 0.000 1.226 220 Y HN 0.534 nan 8.280 nan 0.000 0.460 221 Q N 1.355 121.155 119.800 -0.000 0.000 2.399 221 Q HA 0.343 4.670 4.340 -0.021 0.000 0.276 221 Q C -1.416 174.616 176.000 0.053 0.000 1.098 221 Q CA -1.147 54.671 55.803 0.025 0.000 0.827 221 Q CB 2.891 31.751 28.738 0.204 0.000 1.386 221 Q HN 0.799 nan 8.270 nan 0.000 0.443 222 E N 1.390 121.632 120.200 0.070 0.000 2.089 222 E HA 0.367 4.705 4.350 -0.021 0.000 0.284 222 E C -1.498 175.185 176.600 0.138 0.000 1.023 222 E CA -0.353 56.158 56.400 0.185 0.000 0.819 222 E CB 0.667 30.463 29.700 0.160 0.000 1.076 222 E HN 0.305 nan 8.360 nan 0.000 0.396 223 V N 6.636 126.709 119.914 0.266 0.000 2.559 223 V HA 0.210 4.318 4.120 -0.021 0.000 0.289 223 V C -0.654 175.482 176.094 0.069 0.000 1.036 223 V CA -0.714 61.597 62.300 0.018 0.000 0.887 223 V CB 1.198 32.938 31.823 -0.138 0.000 1.022 223 V HN 0.662 nan 8.190 nan 0.000 0.442 224 I N 4.265 124.634 120.570 -0.334 0.000 2.396 224 I HA 0.439 4.596 4.170 -0.021 0.000 0.289 224 I C 0.036 176.066 176.117 -0.145 0.000 1.056 224 I CA 0.647 61.599 61.300 -0.580 0.000 1.365 224 I CB 0.684 38.276 38.000 -0.681 0.000 1.407 224 I HN 0.555 nan 8.210 nan 0.000 0.509 225 D N 7.239 127.650 120.400 0.018 0.000 2.328 225 D HA 0.270 4.897 4.640 -0.021 0.000 0.243 225 D C -0.749 175.597 176.300 0.077 0.000 1.324 225 D CA -0.300 53.726 54.000 0.043 0.000 0.966 225 D CB 0.631 41.466 40.800 0.059 0.000 1.324 225 D HN 0.371 nan 8.370 nan 0.000 0.549 226 L N 2.946 124.197 121.223 0.047 0.000 3.096 226 L HA 0.592 4.919 4.340 -0.021 0.000 0.247 226 L C 1.101 177.992 176.870 0.036 0.000 1.321 226 L CA -0.404 54.470 54.840 0.056 0.000 1.044 226 L CB 0.130 42.218 42.059 0.048 0.000 1.434 226 L HN 0.577 nan 8.230 nan 0.000 0.533 227 G N -0.218 108.604 108.800 0.037 0.000 2.860 227 G HA2 0.058 4.005 3.960 -0.021 0.000 0.553 227 G HA3 0.058 4.005 3.960 -0.021 0.000 0.553 227 G C 0.682 175.594 174.900 0.019 0.000 1.439 227 G CA -0.276 44.840 45.100 0.028 0.000 0.879 227 G HN 0.772 nan 8.290 nan 0.000 0.545 228 G N -0.686 108.125 108.800 0.019 0.000 2.990 228 G HA2 -0.266 3.681 3.960 -0.021 0.000 0.225 228 G HA3 -0.266 3.681 3.960 -0.021 0.000 0.225 228 G C 0.592 175.510 174.900 0.029 0.000 1.304 228 G CA 1.505 46.615 45.100 0.017 0.000 0.816 228 G HN 1.616 nan 8.290 nan 0.000 0.528 229 E N 1.001 121.225 120.200 0.040 0.000 2.422 229 E HA 0.457 4.794 4.350 -0.021 0.000 0.260 229 E C 1.496 178.130 176.600 0.057 0.000 1.108 229 E CA 0.020 56.461 56.400 0.068 0.000 0.943 229 E CB 0.601 30.360 29.700 0.098 0.000 0.961 229 E HN 0.705 nan 8.360 nan 0.000 0.443 230 A N 2.727 125.584 122.820 0.062 0.000 2.168 230 A HA -0.018 4.289 4.320 -0.021 0.000 0.215 230 A C 0.620 178.230 177.584 0.043 0.000 1.152 230 A CA 0.517 52.580 52.037 0.044 0.000 0.716 230 A CB -0.001 19.022 19.000 0.038 0.000 0.794 230 A HN 0.329 nan 8.150 nan 0.000 0.465 231 I N -0.385 120.212 120.570 0.045 0.000 2.460 231 I HA 0.413 4.570 4.170 -0.021 0.000 0.298 231 I C 0.261 176.411 176.117 0.056 0.000 0.989 231 I CA -0.343 60.988 61.300 0.051 0.000 1.173 231 I CB 1.339 39.346 38.000 0.013 0.000 1.338 231 I HN 0.043 nan 8.210 nan 0.000 0.456 232 S N 4.337 120.091 115.700 0.089 0.000 2.536 232 S HA 0.358 4.815 4.470 -0.021 0.000 0.298 232 S C 0.964 175.632 174.600 0.113 0.000 1.083 232 S CA -0.780 57.471 58.200 0.084 0.000 0.995 232 S CB 1.393 64.639 63.200 0.078 0.000 1.058 232 S HN 0.704 nan 8.310 nan 0.000 0.488 233 K N 2.986 123.433 120.400 0.077 0.000 2.147 233 K HA -0.075 4.232 4.320 -0.021 0.000 0.205 233 K C 0.922 177.606 176.600 0.140 0.000 1.049 233 K CA 1.271 57.605 56.287 0.077 0.000 0.936 233 K CB -0.448 32.105 32.500 0.089 0.000 0.722 233 K HN 0.448 nan 8.250 nan 0.000 0.446 234 N N 1.772 120.534 118.700 0.102 0.000 2.348 234 N HA -0.139 4.588 4.740 -0.021 0.000 0.185 234 N C 1.179 176.712 175.510 0.039 0.000 1.019 234 N CA 1.154 54.240 53.050 0.059 0.000 0.880 234 N CB -0.037 38.473 38.487 0.038 0.000 0.965 234 N HN 0.504 nan 8.380 nan 0.000 0.437 235 E N -0.485 119.793 120.200 0.130 0.000 2.338 235 E HA -0.118 4.219 4.350 -0.021 0.000 0.197 235 E C 0.076 176.579 176.600 -0.162 0.000 1.007 235 E CA 0.666 57.089 56.400 0.038 0.000 0.849 235 E CB 0.007 29.783 29.700 0.127 0.000 0.774 235 E HN 0.472 nan 8.360 nan 0.000 0.506 236 Y N -0.802 119.379 120.300 -0.198 0.000 2.734 236 Y HA 0.222 4.758 4.550 -0.023 0.000 0.278 236 Y C 1.302 176.929 175.900 -0.455 0.000 1.108 236 Y CA -0.210 57.678 58.100 -0.354 0.000 1.211 236 Y CB 0.459 38.952 38.460 0.056 0.000 1.182 236 Y HN -0.099 nan 8.280 nan 0.000 0.547 237 T N -1.793 112.566 114.554 -0.324 0.000 3.042 237 T HA 0.032 4.369 4.350 -0.021 0.000 0.245 237 T C 2.155 176.694 174.700 -0.269 0.000 1.029 237 T CA 0.936 62.919 62.100 -0.195 0.000 1.120 237 T CB -0.061 68.759 68.868 -0.079 0.000 0.917 237 T HN 0.522 nan 8.240 nan 0.000 0.467 238 G N 1.433 109.993 108.800 -0.399 0.000 2.653 238 G HA2 -0.002 3.945 3.960 -0.021 0.000 0.212 238 G HA3 -0.002 3.945 3.960 -0.021 0.000 0.212 238 G C 0.550 175.390 174.900 -0.099 0.000 1.138 238 G CA 0.498 45.460 45.100 -0.230 0.000 0.782 238 G HN 0.635 nan 8.290 nan 0.000 0.535 239 F N -2.739 117.266 119.950 0.093 0.000 2.895 239 F HA 0.548 5.064 4.527 -0.018 0.000 0.334 239 F C 0.154 176.061 175.800 0.180 0.000 1.252 239 F CA -1.511 56.566 58.000 0.128 0.000 1.056 239 F CB 0.033 39.112 39.000 0.133 0.000 1.311 239 F HN 0.222 nan 8.300 nan 0.000 0.506 240 G N -0.374 108.597 108.800 0.286 0.000 2.358 240 G HA2 0.364 4.311 3.960 -0.021 0.000 0.301 240 G HA3 0.364 4.311 3.960 -0.021 0.000 0.301 240 G C -1.426 173.562 174.900 0.146 0.000 1.539 240 G CA -0.710 44.545 45.100 0.258 0.000 0.893 240 G HN 0.261 nan 8.290 nan 0.000 0.636 241 C N -0.082 119.273 119.300 0.092 0.000 2.595 241 C HA 0.762 5.209 4.460 -0.021 0.000 0.384 241 C C 1.099 176.168 174.990 0.133 0.000 1.289 241 C CA 0.069 59.147 59.018 0.101 0.000 2.372 241 C CB 0.292 28.103 27.740 0.118 0.000 2.593 241 C HN 1.125 nan 8.230 nan 0.000 0.639 242 V N 0.981 120.979 119.914 0.139 0.000 2.960 242 V HA 0.608 4.715 4.120 -0.021 0.000 0.315 242 V C -0.649 175.550 176.094 0.176 0.000 1.087 242 V CA -0.857 61.537 62.300 0.157 0.000 0.982 242 V CB 1.512 33.419 31.823 0.141 0.000 1.039 242 V HN 0.698 nan 8.190 nan 0.000 0.437 243 L N 2.096 123.432 121.223 0.188 0.000 2.363 243 L HA 0.384 4.711 4.340 -0.021 0.000 0.286 243 L C 0.482 177.366 176.870 0.022 0.000 1.106 243 L CA -0.091 54.854 54.840 0.176 0.000 0.859 243 L CB 0.442 42.510 42.059 0.016 0.000 1.223 243 L HN 0.830 nan 8.230 nan 0.000 0.446 244 E N 2.317 122.521 120.200 0.007 0.000 2.491 244 E HA -0.071 4.267 4.350 -0.021 0.000 0.250 244 E C 0.120 176.529 176.600 -0.318 0.000 1.061 244 E CA 0.548 56.917 56.400 -0.052 0.000 0.942 244 E CB 0.278 29.990 29.700 0.020 0.000 0.957 244 E HN 0.314 nan 8.360 nan 0.000 0.480 245 F N 2.722 122.708 119.950 0.060 0.000 2.754 245 F HA 0.076 4.589 4.527 -0.023 0.000 0.297 245 F C 2.018 177.829 175.800 0.019 0.000 1.122 245 F CA 0.069 58.088 58.000 0.031 0.000 1.400 245 F CB 0.197 39.268 39.000 0.118 0.000 1.117 245 F HN 0.467 nan 8.300 nan 0.000 0.587 246 Q N -0.041 119.874 119.800 0.191 0.000 2.187 246 Q HA -0.113 4.215 4.340 -0.021 0.000 0.199 246 Q C 2.024 178.111 176.000 0.146 0.000 0.957 246 Q CA 1.297 57.197 55.803 0.162 0.000 0.857 246 Q CB -0.548 28.279 28.738 0.149 0.000 0.929 246 Q HN 0.386 nan 8.270 nan 0.000 0.453 247 F N -0.017 119.903 119.950 -0.051 0.000 2.063 247 F HA -0.226 4.288 4.527 -0.022 0.000 0.298 247 F C 1.898 177.676 175.800 -0.037 0.000 1.109 247 F CA 2.300 60.289 58.000 -0.019 0.000 1.212 247 F CB -0.712 38.188 39.000 -0.166 0.000 0.973 247 F HN 0.233 nan 8.300 nan 0.000 0.480 248 G N -0.525 108.323 108.800 0.079 0.000 2.421 248 G HA2 -0.216 3.731 3.960 -0.021 0.000 0.216 248 G HA3 -0.216 3.731 3.960 -0.021 0.000 0.216 248 G C 1.727 176.637 174.900 0.017 0.000 1.171 248 G CA 1.205 46.318 45.100 0.021 0.000 0.775 248 G HN 0.347 nan 8.290 nan 0.000 0.543 249 V N 1.891 121.836 119.914 0.052 0.000 2.214 249 V HA -0.239 3.868 4.120 -0.021 0.000 0.245 249 V C 3.317 179.429 176.094 0.031 0.000 1.047 249 V CA 2.672 65.003 62.300 0.052 0.000 0.998 249 V CB -0.962 30.910 31.823 0.082 0.000 0.633 249 V HN 0.638 nan 8.190 nan 0.000 0.446 250 S N 0.582 116.322 115.700 0.067 0.000 2.378 250 S HA -0.276 4.182 4.470 -0.021 0.000 0.221 250 S C 1.972 176.490 174.600 -0.137 0.000 1.037 250 S CA 1.993 60.246 58.200 0.089 0.000 1.069 250 S CB -1.010 62.379 63.200 0.316 0.000 1.006 250 S HN 0.313 nan 8.310 nan 0.000 0.423 251 L N 2.661 123.649 121.223 -0.391 0.000 2.187 251 L HA 0.123 4.450 4.340 -0.021 0.000 0.213 251 L C 2.399 179.159 176.870 -0.183 0.000 1.100 251 L CA 1.664 56.128 54.840 -0.626 0.000 0.765 251 L CB -1.219 40.264 42.059 -0.960 0.000 0.904 251 L HN 0.517 nan 8.230 nan 0.000 0.437 252 G N -1.164 107.571 108.800 -0.109 0.000 2.396 252 G HA2 -0.290 3.657 3.960 -0.021 0.000 0.214 252 G HA3 -0.290 3.657 3.960 -0.021 0.000 0.214 252 G C 1.517 176.416 174.900 -0.001 0.000 1.166 252 G CA 0.614 45.700 45.100 -0.022 0.000 0.793 252 G HN 0.435 nan 8.290 nan 0.000 0.533 253 N N 1.614 120.299 118.700 -0.026 0.000 2.120 253 N HA -0.056 4.671 4.740 -0.021 0.000 0.188 253 N C 2.435 177.906 175.510 -0.065 0.000 1.024 253 N CA 1.591 54.625 53.050 -0.026 0.000 0.852 253 N CB -0.551 37.932 38.487 -0.007 0.000 1.003 253 N HN 0.237 nan 8.380 nan 0.000 0.424 254 A N 0.379 123.124 122.820 -0.126 0.000 1.852 254 A HA -0.164 4.143 4.320 -0.021 0.000 0.217 254 A C 2.113 179.495 177.584 -0.336 0.000 1.215 254 A CA 1.787 53.649 52.037 -0.290 0.000 0.641 254 A CB -1.430 17.249 19.000 -0.535 0.000 0.838 254 A HN 0.356 nan 8.150 nan 0.000 0.450 255 F N -0.375 119.414 119.950 -0.268 0.000 2.365 255 F HA -0.084 4.430 4.527 -0.022 0.000 0.300 255 F C 2.404 178.126 175.800 -0.129 0.000 1.090 255 F CA 1.394 59.265 58.000 -0.215 0.000 1.408 255 F CB -0.454 38.410 39.000 -0.226 0.000 1.060 255 F HN 0.328 nan 8.300 nan 0.000 0.534 256 Q N 0.774 120.602 119.800 0.046 0.000 2.364 256 Q HA 0.038 4.365 4.340 -0.021 0.000 0.209 256 Q C 1.781 177.771 176.000 -0.017 0.000 0.977 256 Q CA 1.436 57.247 55.803 0.014 0.000 0.885 256 Q CB -0.275 28.461 28.738 -0.004 0.000 0.941 256 Q HN 0.436 nan 8.270 nan 0.000 0.464 257 G N -2.676 106.092 108.800 -0.053 0.000 2.192 257 G HA2 -0.177 3.771 3.960 -0.021 0.000 0.193 257 G HA3 -0.177 3.771 3.960 -0.021 0.000 0.193 257 G C 0.617 175.476 174.900 -0.068 0.000 0.999 257 G CA 0.003 45.064 45.100 -0.065 0.000 0.659 257 G HN 0.591 nan 8.290 nan 0.000 0.503 258 G N -0.329 108.432 108.800 -0.065 0.000 3.026 258 G HA2 0.390 4.338 3.960 -0.021 0.000 0.208 258 G HA3 0.390 4.338 3.960 -0.021 0.000 0.208 258 G C 0.328 175.189 174.900 -0.065 0.000 1.169 258 G CA 0.825 45.892 45.100 -0.054 0.000 0.788 258 G HN 0.665 nan 8.290 nan 0.000 0.533 259 N N -0.413 118.227 118.700 -0.099 0.000 2.710 259 N HA 0.045 4.772 4.740 -0.021 0.000 0.257 259 N C -1.225 174.196 175.510 -0.148 0.000 1.140 259 N CA -0.425 52.565 53.050 -0.100 0.000 0.953 259 N CB 1.166 39.614 38.487 -0.065 0.000 1.664 259 N HN 0.012 nan 8.380 nan 0.000 0.497 260 Q N 3.166 122.901 119.800 -0.109 0.000 2.255 260 Q HA 0.115 4.442 4.340 -0.021 0.000 0.280 260 Q C 1.436 177.345 176.000 -0.152 0.000 1.068 260 Q CA -0.022 55.714 55.803 -0.112 0.000 0.911 260 Q CB 1.222 29.922 28.738 -0.064 0.000 1.157 260 Q HN 0.498 nan 8.270 nan 0.000 0.380 261 L N 3.201 124.285 121.223 -0.232 0.000 2.187 261 L HA -0.232 4.095 4.340 -0.021 0.000 0.213 261 L C 2.263 179.102 176.870 -0.052 0.000 1.100 261 L CA 1.662 56.311 54.840 -0.317 0.000 0.765 261 L CB -0.730 41.107 42.059 -0.370 0.000 0.904 261 L HN 0.744 nan 8.230 nan 0.000 0.437 262 K N 0.887 121.300 120.400 0.022 0.000 2.211 262 K HA -0.215 4.093 4.320 -0.021 0.000 0.204 262 K C 1.365 178.059 176.600 0.156 0.000 1.047 262 K CA 1.807 58.179 56.287 0.142 0.000 0.935 262 K CB -0.061 32.476 32.500 0.062 0.000 0.728 262 K HN 0.376 nan 8.250 nan 0.000 0.452 263 N N 0.397 119.147 118.700 0.082 0.000 2.494 263 N HA -0.002 4.725 4.740 -0.021 0.000 0.182 263 N C 0.854 176.523 175.510 0.265 0.000 1.076 263 N CA 0.346 53.467 53.050 0.118 0.000 0.908 263 N CB 0.110 38.652 38.487 0.091 0.000 0.967 263 N HN 0.150 nan 8.380 nan 0.000 0.449 264 L N 0.105 121.434 121.223 0.177 0.000 2.675 264 L HA 0.150 4.477 4.340 -0.021 0.000 0.239 264 L C 1.946 178.864 176.870 0.081 0.000 1.151 264 L CA -0.288 54.629 54.840 0.129 0.000 0.905 264 L CB -0.290 41.581 42.059 -0.313 0.000 1.057 264 L HN 0.227 nan 8.230 nan 0.000 0.435 265 A N 1.522 124.142 122.820 -0.333 0.000 1.898 265 A HA -0.180 4.127 4.320 -0.021 0.000 0.216 265 A C 1.764 179.028 177.584 -0.533 0.000 1.181 265 A CA 1.754 53.014 52.037 -1.295 0.000 0.620 265 A CB -0.409 17.865 19.000 -1.210 0.000 0.819 265 A HN 0.630 nan 8.150 nan 0.000 0.442 266 N N -1.077 117.571 118.700 -0.086 0.000 2.327 266 N HA -0.042 4.686 4.740 -0.021 0.000 0.231 266 N C 0.034 175.764 175.510 0.365 0.000 1.130 266 N CA -0.652 52.453 53.050 0.091 0.000 0.845 266 N CB -0.702 37.827 38.487 0.070 0.000 1.073 266 N HN 0.677 nan 8.380 nan 0.000 0.496 267 W N 1.401 122.752 121.300 0.086 0.000 2.385 267 W HA 0.325 4.974 4.660 -0.020 0.000 0.336 267 W C 0.186 176.633 176.519 -0.120 0.000 1.351 267 W CA 1.171 58.395 57.345 -0.201 0.000 1.295 267 W CB 0.201 29.548 29.460 -0.187 0.000 1.239 267 W HN 0.374 nan 8.180 nan 0.000 0.565 268 G N 5.461 113.715 108.800 -0.911 0.000 2.332 268 G HA2 -0.123 3.824 3.960 -0.021 0.000 0.265 268 G HA3 -0.123 3.824 3.960 -0.021 0.000 0.265 268 G C -2.372 172.301 174.900 -0.379 0.000 1.329 268 G CA -0.403 44.283 45.100 -0.690 0.000 0.949 268 G HN 0.142 nan 8.290 nan 0.000 0.476 269 P HA -0.090 nan 4.420 nan 0.000 0.219 269 P C 1.040 178.367 177.300 0.045 0.000 1.151 269 P CA 1.630 64.748 63.100 0.030 0.000 0.850 269 P CB 0.002 31.748 31.700 0.078 0.000 0.784 270 E N -2.837 117.418 120.200 0.093 0.000 2.405 270 E HA -0.091 4.246 4.350 -0.021 0.000 0.194 270 E C 0.091 176.718 176.600 0.045 0.000 1.149 270 E CA 0.143 56.584 56.400 0.069 0.000 0.933 270 E CB -0.460 29.262 29.700 0.038 0.000 1.028 270 E HN 0.473 nan 8.360 nan 0.000 0.487 271 W N -0.231 120.972 121.300 -0.162 0.000 2.284 271 W HA 0.282 4.935 4.660 -0.011 0.000 0.334 271 W C 0.671 177.127 176.519 -0.105 0.000 0.917 271 W CA -0.160 57.106 57.345 -0.132 0.000 1.621 271 W CB 0.882 30.218 29.460 -0.207 0.000 1.129 271 W HN 0.057 nan 8.180 nan 0.000 0.528 272 G N 1.894 110.751 108.800 0.095 0.000 2.452 272 G HA2 -0.117 3.830 3.960 -0.021 0.000 0.275 272 G HA3 -0.117 3.830 3.960 -0.021 0.000 0.275 272 G C -1.182 173.759 174.900 0.068 0.000 1.131 272 G CA -0.450 44.692 45.100 0.070 0.000 1.031 272 G HN 0.049 nan 8.290 nan 0.000 0.511 273 L N 1.022 122.272 121.223 0.045 0.000 2.455 273 L HA 0.639 4.966 4.340 -0.021 0.000 0.264 273 L C 0.764 177.716 176.870 0.135 0.000 0.968 273 L CA -1.160 53.716 54.840 0.061 0.000 0.827 273 L CB 1.686 43.660 42.059 -0.141 0.000 1.317 273 L HN 0.350 nan 8.230 nan 0.000 0.407 274 L N -0.872 120.452 121.223 0.169 0.000 2.468 274 L HA 0.380 4.708 4.340 -0.021 0.000 0.253 274 L C 0.404 177.359 176.870 0.141 0.000 1.237 274 L CA -0.605 54.311 54.840 0.127 0.000 0.823 274 L CB -0.059 42.051 42.059 0.085 0.000 1.124 274 L HN 0.565 nan 8.230 nan 0.000 0.504 275 E N 0.924 121.157 120.200 0.055 0.000 2.568 275 E HA -0.065 4.273 4.350 -0.021 0.000 0.262 275 E C 1.279 177.789 176.600 -0.149 0.000 0.961 275 E CA 0.818 57.221 56.400 0.006 0.000 0.945 275 E CB 0.508 30.201 29.700 -0.011 0.000 0.924 275 E HN 0.848 nan 8.360 nan 0.000 0.467 276 G N 3.865 112.526 108.800 -0.232 0.000 2.681 276 G HA2 -0.295 3.652 3.960 -0.021 0.000 0.220 276 G HA3 -0.295 3.652 3.960 -0.021 0.000 0.220 276 G C 1.171 175.771 174.900 -0.501 0.000 1.210 276 G CA 1.121 45.832 45.100 -0.647 0.000 0.783 276 G HN 0.552 nan 8.290 nan 0.000 0.609 277 L N -0.656 120.425 121.223 -0.235 0.000 2.821 277 L HA 0.252 4.580 4.340 -0.021 0.000 0.254 277 L C 0.223 177.036 176.870 -0.095 0.000 1.151 277 L CA 1.290 56.040 54.840 -0.150 0.000 0.937 277 L CB -0.772 41.234 42.059 -0.088 0.000 1.141 277 L HN -0.030 nan 8.230 nan 0.000 0.425 278 D N 0.401 120.727 120.400 -0.123 0.000 2.479 278 D HA 0.396 5.023 4.640 -0.021 0.000 0.216 278 D C 0.789 177.082 176.300 -0.012 0.000 1.110 278 D CA 0.465 54.443 54.000 -0.037 0.000 0.841 278 D CB 1.293 42.080 40.800 -0.021 0.000 1.040 278 D HN 0.518 nan 8.370 nan 0.000 0.505 279 A N -0.145 122.622 122.820 -0.087 0.000 2.350 279 A HA 0.694 5.001 4.320 -0.021 0.000 0.318 279 A C -0.864 176.714 177.584 -0.009 0.000 1.132 279 A CA -0.526 51.501 52.037 -0.016 0.000 0.811 279 A CB 1.685 20.687 19.000 0.003 0.000 1.313 279 A HN -0.102 nan 8.150 nan 0.000 0.454 280 V N 2.121 122.073 119.914 0.063 0.000 2.326 280 V HA 0.428 4.535 4.120 -0.021 0.000 0.281 280 V C 0.106 176.241 176.094 0.068 0.000 1.015 280 V CA -0.465 61.872 62.300 0.060 0.000 0.823 280 V CB 0.727 32.612 31.823 0.103 0.000 1.009 280 V HN 0.873 nan 8.190 nan 0.000 0.436 281 V N 3.202 123.048 119.914 -0.113 0.000 2.863 281 V HA 0.902 5.009 4.120 -0.021 0.000 0.307 281 V C -0.512 175.502 176.094 -0.132 0.000 1.061 281 V CA -0.551 61.480 62.300 -0.448 0.000 1.024 281 V CB 1.344 32.485 31.823 -1.137 0.000 1.049 281 V HN 0.801 nan 8.190 nan 0.000 0.471 282 F N -0.518 119.254 119.950 -0.296 0.000 2.719 282 F HA 0.792 5.307 4.527 -0.019 0.000 0.309 282 F C -0.185 175.684 175.800 0.116 0.000 1.138 282 F CA -0.970 56.994 58.000 -0.060 0.000 0.943 282 F CB 0.550 39.509 39.000 -0.068 0.000 1.304 282 F HN 0.313 nan 8.300 nan 0.000 0.445 283 V N 0.223 120.320 119.914 0.304 0.000 2.450 283 V HA 0.020 4.128 4.120 -0.021 0.000 0.222 283 V C 0.561 176.814 176.094 0.266 0.000 1.102 283 V CA 1.454 63.913 62.300 0.265 0.000 1.102 283 V CB -0.335 31.704 31.823 0.360 0.000 0.715 283 V HN 0.938 nan 8.190 nan 0.000 0.491 284 D N 1.240 121.802 120.400 0.270 0.000 2.423 284 D HA 0.262 4.889 4.640 -0.021 0.000 0.255 284 D C -0.484 175.959 176.300 0.239 0.000 1.174 284 D CA -0.433 53.673 54.000 0.178 0.000 1.008 284 D CB 0.562 41.382 40.800 0.032 0.000 1.101 284 D HN 0.470 nan 8.370 nan 0.000 0.516 285 N N -1.438 117.306 118.700 0.073 0.000 2.331 285 N HA 0.012 4.740 4.740 -0.021 0.000 0.280 285 N C 1.192 176.509 175.510 -0.323 0.000 1.155 285 N CA -0.535 52.440 53.050 -0.126 0.000 0.822 285 N CB 0.953 39.307 38.487 -0.221 0.000 1.619 285 N HN 0.687 nan 8.380 nan 0.000 0.476 286 H N 1.060 119.852 119.070 -0.463 0.000 2.337 286 H HA -0.261 4.283 4.556 -0.021 0.000 0.288 286 H C 0.336 175.160 175.328 -0.840 0.000 1.117 286 H CA 2.176 57.695 56.048 -0.882 0.000 1.205 286 H CB -0.224 28.750 29.762 -1.315 0.000 1.353 286 H HN 0.682 nan 8.280 nan 0.000 0.480 287 D N 1.665 121.339 120.400 -1.210 0.000 2.087 287 D HA -0.164 4.463 4.640 -0.021 0.000 0.201 287 D C 1.981 178.063 176.300 -0.363 0.000 0.980 287 D CA 1.379 54.913 54.000 -0.777 0.000 0.849 287 D CB -0.426 39.975 40.800 -0.663 0.000 1.001 287 D HN 0.628 nan 8.370 nan 0.000 0.452 288 N N 1.128 119.691 118.700 -0.227 0.000 2.635 288 N HA -0.187 4.540 4.740 -0.021 0.000 0.191 288 N C 1.335 176.815 175.510 -0.050 0.000 1.155 288 N CA 0.492 53.501 53.050 -0.069 0.000 0.927 288 N CB -0.352 38.162 38.487 0.045 0.000 0.976 288 N HN 0.501 nan 8.380 nan 0.000 0.448 289 Q N -0.807 118.926 119.800 -0.111 0.000 2.403 289 Q HA 0.157 4.484 4.340 -0.021 0.000 0.203 289 Q C 1.270 177.310 176.000 0.067 0.000 0.932 289 Q CA 0.023 55.804 55.803 -0.036 0.000 0.945 289 Q CB 0.165 28.869 28.738 -0.056 0.000 1.045 289 Q HN 0.021 nan 8.270 nan 0.000 0.511 290 R N 1.362 121.869 120.500 0.012 0.000 2.173 290 R HA 0.046 4.374 4.340 -0.021 0.000 0.208 290 R C 0.742 177.116 176.300 0.123 0.000 1.035 290 R CA 1.222 57.407 56.100 0.140 0.000 1.004 290 R CB -0.236 30.116 30.300 0.087 0.000 0.917 290 R HN 0.499 nan 8.270 nan 0.000 0.462 291 T N -1.746 112.841 114.554 0.055 0.000 2.900 291 T HA 0.497 4.834 4.350 -0.021 0.000 0.307 291 T C 0.479 175.198 174.700 0.031 0.000 1.065 291 T CA 0.044 62.167 62.100 0.039 0.000 1.105 291 T CB 1.490 70.368 68.868 0.017 0.000 0.979 291 T HN 0.237 nan 8.240 nan 0.000 0.544 292 G N 0.095 108.905 108.800 0.018 0.000 2.269 292 G HA2 0.630 4.577 3.960 -0.021 0.000 0.297 292 G HA3 0.630 4.577 3.960 -0.021 0.000 0.297 292 G C -0.419 174.474 174.900 -0.011 0.000 1.340 292 G CA -0.139 44.960 45.100 -0.002 0.000 1.240 292 G HN 1.336 nan 8.290 nan 0.000 0.596 293 G N 0.673 109.462 108.800 -0.018 0.000 2.321 293 G HA2 0.834 4.781 3.960 -0.021 0.000 0.296 293 G HA3 0.834 4.781 3.960 -0.021 0.000 0.296 293 G C 0.420 175.307 174.900 -0.021 0.000 1.287 293 G CA 1.015 46.102 45.100 -0.021 0.000 0.846 293 G HN 2.532 nan 8.290 nan 0.000 0.508 294 S N -1.726 113.962 115.700 -0.020 0.000 2.991 294 S HA -0.354 4.103 4.470 -0.021 0.000 0.630 294 S C 1.621 176.210 174.600 -0.018 0.000 3.057 294 S CA 1.807 59.996 58.200 -0.017 0.000 3.520 294 S CB -1.234 61.959 63.200 -0.012 0.000 0.309 294 S HN 1.640 nan 8.310 nan 0.000 1.629 295 Q N 0.533 120.326 119.800 -0.011 0.000 2.142 295 Q HA -0.135 4.192 4.340 -0.021 0.000 0.213 295 Q C 1.291 177.285 176.000 -0.010 0.000 1.004 295 Q CA 1.812 57.611 55.803 -0.006 0.000 0.883 295 Q CB -0.788 27.954 28.738 0.007 0.000 0.939 295 Q HN 0.747 nan 8.270 nan 0.000 0.413 296 I N 1.890 122.452 120.570 -0.014 0.000 2.496 296 I HA 0.061 4.219 4.170 -0.021 0.000 0.285 296 I C 0.440 176.507 176.117 -0.082 0.000 1.080 296 I CA -0.074 61.209 61.300 -0.028 0.000 1.404 296 I CB 0.036 38.028 38.000 -0.014 0.000 1.403 296 I HN 0.053 nan 8.210 nan 0.000 0.539 297 L N 6.727 127.874 121.223 -0.126 0.000 2.272 297 L HA 0.405 4.732 4.340 -0.021 0.000 0.289 297 L C 0.621 177.115 176.870 -0.627 0.000 1.032 297 L CA -0.363 54.317 54.840 -0.266 0.000 0.810 297 L CB 1.573 43.544 42.059 -0.146 0.000 1.205 297 L HN 0.724 nan 8.230 nan 0.000 0.422 298 T N -1.816 112.367 114.554 -0.617 0.000 2.905 298 T HA 0.274 4.611 4.350 -0.021 0.000 0.283 298 T C 0.966 175.287 174.700 -0.632 0.000 1.031 298 T CA -0.586 61.116 62.100 -0.664 0.000 1.002 298 T CB 0.914 69.611 68.868 -0.285 0.000 1.200 298 T HN 0.491 nan 8.240 nan 0.000 0.560 299 Y N 0.045 120.305 120.300 -0.066 0.000 2.483 299 Y HA 0.189 4.727 4.550 -0.021 0.000 0.291 299 Y C 1.968 178.041 175.900 0.289 0.000 1.143 299 Y CA 0.452 58.808 58.100 0.428 0.000 1.289 299 Y CB -0.843 37.878 38.460 0.435 0.000 0.983 299 Y HN 0.331 nan 8.280 nan 0.000 0.556 300 K N 1.198 121.162 120.400 -0.727 0.000 2.160 300 K HA -0.198 4.110 4.320 -0.021 0.000 0.206 300 K C -0.070 176.441 176.600 -0.149 0.000 1.047 300 K CA 1.261 57.265 56.287 -0.472 0.000 0.930 300 K CB -0.569 31.652 32.500 -0.465 0.000 0.720 300 K HN 0.471 nan 8.250 nan 0.000 0.450 301 N N 0.166 118.813 118.700 -0.088 0.000 2.851 301 N HA 0.136 4.863 4.740 -0.021 0.000 0.248 301 N C -2.260 173.331 175.510 0.135 0.000 1.221 301 N CA -1.594 51.458 53.050 0.003 0.000 0.847 301 N CB 1.472 39.940 38.487 -0.032 0.000 1.150 301 N HN -0.207 nan 8.380 nan 0.000 0.507 302 P HA -0.244 nan 4.420 nan 0.000 0.208 302 P C 1.217 178.648 177.300 0.217 0.000 1.189 302 P CA 1.188 64.467 63.100 0.300 0.000 0.931 302 P CB 0.286 32.062 31.700 0.126 0.000 0.783 303 K N -0.269 120.189 120.400 0.098 0.000 2.013 303 K HA -0.195 4.112 4.320 -0.021 0.000 0.225 303 K C -0.556 176.093 176.600 0.082 0.000 1.056 303 K CA 3.306 59.630 56.287 0.062 0.000 0.971 303 K CB -1.802 30.720 32.500 0.037 0.000 0.731 303 K HN 0.177 nan 8.250 nan 0.000 0.450 304 P HA -0.194 nan 4.420 nan 0.000 0.220 304 P C 1.259 178.594 177.300 0.059 0.000 1.148 304 P CA 1.252 64.413 63.100 0.102 0.000 0.803 304 P CB -0.188 31.584 31.700 0.120 0.000 0.782 305 Y N 2.779 123.063 120.300 -0.027 0.000 2.145 305 Y HA -0.169 4.368 4.550 -0.022 0.000 0.286 305 Y C 2.155 178.028 175.900 -0.045 0.000 1.145 305 Y CA 1.343 59.427 58.100 -0.026 0.000 1.148 305 Y CB -0.970 37.543 38.460 0.089 0.000 0.981 305 Y HN -0.106 nan 8.280 nan 0.000 0.507 306 K N -0.398 119.970 120.400 -0.054 0.000 2.026 306 K HA -0.200 4.108 4.320 -0.021 0.000 0.208 306 K C 2.145 178.654 176.600 -0.152 0.000 1.048 306 K CA 2.106 58.312 56.287 -0.136 0.000 0.929 306 K CB -0.379 32.100 32.500 -0.034 0.000 0.713 306 K HN 0.347 nan 8.250 nan 0.000 0.439 307 M N 0.891 120.408 119.600 -0.138 0.000 2.149 307 M HA -0.191 4.276 4.480 -0.021 0.000 0.261 307 M C 2.439 178.389 176.300 -0.582 0.000 1.064 307 M CA 1.692 56.880 55.300 -0.186 0.000 1.102 307 M CB -0.538 32.019 32.600 -0.072 0.000 1.369 307 M HN 0.239 nan 8.290 nan 0.000 0.408 308 A N 1.548 123.873 122.820 -0.825 0.000 1.828 308 A HA -0.164 4.143 4.320 -0.021 0.000 0.215 308 A C 2.170 179.517 177.584 -0.395 0.000 1.203 308 A CA 1.912 53.307 52.037 -1.069 0.000 0.614 308 A CB -1.181 17.435 19.000 -0.640 0.000 0.844 308 A HN 0.669 nan 8.150 nan 0.000 0.445 309 I N -2.288 118.166 120.570 -0.194 0.000 2.530 309 I HA -0.141 4.016 4.170 -0.021 0.000 0.257 309 I C 2.233 178.331 176.117 -0.033 0.000 1.179 309 I CA 1.641 62.909 61.300 -0.053 0.000 1.440 309 I CB -0.387 37.555 38.000 -0.096 0.000 1.087 309 I HN 0.232 nan 8.210 nan 0.000 0.440 310 A N 1.408 124.178 122.820 -0.083 0.000 1.873 310 A HA -0.160 4.148 4.320 -0.021 0.000 0.215 310 A C 2.217 179.827 177.584 0.043 0.000 1.186 310 A CA 1.597 53.604 52.037 -0.050 0.000 0.616 310 A CB -1.209 17.780 19.000 -0.018 0.000 0.823 310 A HN 0.591 nan 8.150 nan 0.000 0.442 311 F N 0.264 120.200 119.950 -0.024 0.000 2.126 311 F HA -0.196 4.317 4.527 -0.023 0.000 0.299 311 F C 2.238 178.168 175.800 0.216 0.000 1.096 311 F CA 2.118 60.207 58.000 0.148 0.000 1.255 311 F CB -0.204 38.774 39.000 -0.037 0.000 0.997 311 F HN 0.328 nan 8.300 nan 0.000 0.479 312 M N -0.089 119.683 119.600 0.287 0.000 2.479 312 M HA -0.233 4.234 4.480 -0.021 0.000 0.269 312 M C 2.064 178.510 176.300 0.244 0.000 1.076 312 M CA 2.020 57.557 55.300 0.395 0.000 1.086 312 M CB -0.711 32.115 32.600 0.376 0.000 1.230 312 M HN 0.193 nan 8.290 nan 0.000 0.474 313 L N 1.077 122.381 121.223 0.135 0.000 2.064 313 L HA -0.321 4.006 4.340 -0.021 0.000 0.234 313 L C 2.830 179.754 176.870 0.089 0.000 1.103 313 L CA 2.783 57.669 54.840 0.077 0.000 0.824 313 L CB -1.903 40.150 42.059 -0.011 0.000 0.919 313 L HN 0.646 nan 8.230 nan 0.000 0.447 314 A N -2.057 120.745 122.820 -0.030 0.000 1.865 314 A HA -0.213 4.094 4.320 -0.021 0.000 0.217 314 A C 1.483 179.194 177.584 0.211 0.000 1.191 314 A CA 1.142 53.160 52.037 -0.031 0.000 0.623 314 A CB -0.864 17.954 19.000 -0.304 0.000 0.826 314 A HN 0.536 nan 8.150 nan 0.000 0.444 315 H N 0.879 119.997 119.070 0.080 0.000 2.948 315 H HA 0.056 4.598 4.556 -0.023 0.000 0.351 315 H C -1.451 174.002 175.328 0.209 0.000 1.079 315 H CA -0.519 55.610 56.048 0.135 0.000 1.407 315 H CB 1.093 30.862 29.762 0.010 0.000 1.373 315 H HN 0.162 nan 8.280 nan 0.000 0.605 316 P HA -0.143 nan 4.420 nan 0.000 0.220 316 P C 0.360 177.858 177.300 0.331 0.000 1.152 316 P CA 0.450 63.690 63.100 0.232 0.000 0.812 316 P CB 0.012 31.765 31.700 0.089 0.000 0.792 317 Y N 2.273 122.825 120.300 0.421 0.000 3.119 317 Y HA 0.065 4.601 4.550 -0.023 0.000 0.348 317 Y C 1.659 177.611 175.900 0.087 0.000 1.267 317 Y CA 1.571 59.805 58.100 0.224 0.000 1.578 317 Y CB -0.598 37.974 38.460 0.186 0.000 1.198 317 Y HN 0.336 nan 8.280 nan 0.000 0.615 318 G N 3.901 112.383 108.800 -0.531 0.000 2.566 318 G HA2 -0.256 3.691 3.960 -0.021 0.000 0.308 318 G HA3 -0.256 3.691 3.960 -0.021 0.000 0.308 318 G C -0.216 174.603 174.900 -0.135 0.000 1.317 318 G CA 0.180 45.060 45.100 -0.367 0.000 0.930 318 G HN 1.455 nan 8.290 nan 0.000 0.547 319 T N -2.642 111.848 114.554 -0.107 0.000 2.823 319 T HA 0.721 5.058 4.350 -0.021 0.000 0.279 319 T C 0.294 174.966 174.700 -0.046 0.000 0.998 319 T CA 0.587 62.648 62.100 -0.064 0.000 0.994 319 T CB 1.747 70.549 68.868 -0.109 0.000 0.960 319 T HN 1.779 nan 8.240 nan 0.000 0.448 320 T N 0.339 114.889 114.554 -0.007 0.000 2.944 320 T HA 0.673 5.010 4.350 -0.021 0.000 0.284 320 T C -0.326 174.372 174.700 -0.003 0.000 1.010 320 T CA -1.124 60.974 62.100 -0.002 0.000 1.025 320 T CB 1.440 70.328 68.868 0.033 0.000 1.079 320 T HN 0.934 nan 8.240 nan 0.000 0.516 321 R N 1.601 122.126 120.500 0.041 0.000 2.531 321 R HA 0.472 4.799 4.340 -0.021 0.000 0.293 321 R C -1.514 174.855 176.300 0.114 0.000 1.124 321 R CA -0.680 55.448 56.100 0.046 0.000 0.945 321 R CB 0.803 31.108 30.300 0.008 0.000 1.195 321 R HN 0.617 nan 8.270 nan 0.000 0.433 322 I N 3.621 124.270 120.570 0.132 0.000 2.886 322 I HA 0.369 4.526 4.170 -0.021 0.000 0.299 322 I C 0.397 176.598 176.117 0.139 0.000 1.044 322 I CA -0.367 61.028 61.300 0.158 0.000 1.310 322 I CB 1.102 39.231 38.000 0.215 0.000 1.441 322 I HN 0.648 nan 8.210 nan 0.000 0.578 323 M N 2.768 122.456 119.600 0.145 0.000 2.259 323 M HA 0.455 4.922 4.480 -0.021 0.000 0.304 323 M C -0.852 175.502 176.300 0.091 0.000 1.019 323 M CA 0.115 55.496 55.300 0.135 0.000 0.922 323 M CB 1.766 34.460 32.600 0.156 0.000 1.600 323 M HN 0.416 nan 8.290 nan 0.000 0.433 324 S N 3.279 119.019 115.700 0.065 0.000 2.475 324 S HA 0.502 4.960 4.470 -0.021 0.000 0.249 324 S C -0.361 174.347 174.600 0.180 0.000 1.298 324 S CA -0.471 57.796 58.200 0.111 0.000 1.125 324 S CB -0.137 63.193 63.200 0.216 0.000 1.054 324 S HN 0.852 nan 8.310 nan 0.000 0.484 325 S N 3.232 118.999 115.700 0.112 0.000 2.661 325 S HA 0.750 5.208 4.470 -0.021 0.000 0.265 325 S C -0.218 174.541 174.600 0.265 0.000 1.225 325 S CA -0.664 57.621 58.200 0.142 0.000 0.986 325 S CB 0.287 63.456 63.200 -0.053 0.000 1.008 325 S HN 0.644 nan 8.310 nan 0.000 0.565 326 F N -1.355 118.777 119.950 0.303 0.000 2.532 326 F HA 0.603 5.118 4.527 -0.020 0.000 0.321 326 F C -0.371 175.561 175.800 0.219 0.000 1.089 326 F CA -1.617 56.527 58.000 0.240 0.000 0.926 326 F CB 0.325 39.453 39.000 0.213 0.000 1.168 326 F HN 0.413 nan 8.300 nan 0.000 0.459 327 D N 2.820 123.475 120.400 0.425 0.000 2.488 327 D HA 0.159 4.786 4.640 -0.021 0.000 0.238 327 D C -0.725 175.984 176.300 0.682 0.000 1.138 327 D CA 1.117 55.394 54.000 0.461 0.000 0.873 327 D CB 0.545 41.515 40.800 0.284 0.000 1.183 327 D HN 0.536 nan 8.370 nan 0.000 0.458 328 F N -0.942 119.200 119.950 0.320 0.000 2.601 328 F HA 0.372 4.886 4.527 -0.022 0.000 0.309 328 F C 0.414 176.342 175.800 0.214 0.000 1.089 328 F CA -0.980 57.201 58.000 0.301 0.000 0.940 328 F CB 1.555 40.727 39.000 0.287 0.000 1.273 328 F HN 0.096 nan 8.300 nan 0.000 0.450 329 T N -0.734 113.923 114.554 0.171 0.000 2.955 329 T HA 0.153 4.490 4.350 -0.021 0.000 0.251 329 T C 0.047 174.800 174.700 0.089 0.000 1.002 329 T CA 0.616 62.728 62.100 0.020 0.000 0.970 329 T CB -0.292 68.608 68.868 0.053 0.000 1.091 329 T HN 0.769 nan 8.240 nan 0.000 0.495 330 D N -0.005 120.545 120.400 0.250 0.000 2.541 330 D HA 0.347 4.974 4.640 -0.021 0.000 0.276 330 D C 0.411 176.971 176.300 0.434 0.000 1.190 330 D CA -0.470 53.696 54.000 0.276 0.000 1.095 330 D CB 1.234 42.200 40.800 0.277 0.000 1.173 330 D HN 0.182 nan 8.370 nan 0.000 0.604 331 N N -1.244 117.709 118.700 0.422 0.000 2.193 331 N HA 0.052 4.779 4.740 -0.021 0.000 0.210 331 N C -0.558 175.311 175.510 0.599 0.000 1.215 331 N CA -0.035 53.303 53.050 0.480 0.000 0.901 331 N CB 1.207 39.902 38.487 0.346 0.000 1.060 331 N HN 0.176 nan 8.380 nan 0.000 0.508 332 D N 0.065 120.799 120.400 0.557 0.000 2.500 332 D HA -0.023 4.604 4.640 -0.021 0.000 0.217 332 D C 0.087 176.647 176.300 0.433 0.000 1.159 332 D CA 0.035 54.412 54.000 0.629 0.000 0.828 332 D CB 0.325 41.506 40.800 0.636 0.000 1.039 332 D HN 0.133 nan 8.370 nan 0.000 0.512 333 Q N 1.606 121.666 119.800 0.434 0.000 2.289 333 Q HA 0.297 4.624 4.340 -0.021 0.000 0.273 333 Q C 0.327 176.528 176.000 0.335 0.000 1.029 333 Q CA 0.000 55.998 55.803 0.324 0.000 0.896 333 Q CB 0.855 29.784 28.738 0.319 0.000 1.182 333 Q HN 0.155 nan 8.270 nan 0.000 0.385 334 G N 4.972 113.840 108.800 0.114 0.000 2.606 334 G HA2 0.334 4.281 3.960 -0.021 0.000 0.252 334 G HA3 0.334 4.281 3.960 -0.021 0.000 0.252 334 G C -2.300 172.412 174.900 -0.314 0.000 1.206 334 G CA -0.924 44.161 45.100 -0.024 0.000 0.861 334 G HN 0.579 nan 8.290 nan 0.000 0.561 335 P HA 0.149 nan 4.420 nan 0.000 0.291 335 P C -2.485 174.416 177.300 -0.665 0.000 1.287 335 P CA -0.957 61.414 63.100 -1.215 0.000 0.767 335 P CB -0.733 30.467 31.700 -0.832 0.000 1.290 336 P HA 0.055 nan 4.420 nan 0.000 0.264 336 P C -0.398 176.755 177.300 -0.244 0.000 1.193 336 P CA 0.765 63.624 63.100 -0.402 0.000 0.763 336 P CB 0.151 31.586 31.700 -0.442 0.000 0.810 337 Q N 2.519 122.208 119.800 -0.185 0.000 2.458 337 Q HA 0.558 4.886 4.340 -0.021 0.000 0.282 337 Q C -1.601 174.341 176.000 -0.096 0.000 1.106 337 Q CA -0.696 55.030 55.803 -0.128 0.000 0.814 337 Q CB 2.049 30.716 28.738 -0.118 0.000 1.425 337 Q HN 0.505 nan 8.270 nan 0.000 0.437 338 D N 0.462 120.817 120.400 -0.075 0.000 2.400 338 D HA 0.131 4.758 4.640 -0.021 0.000 0.197 338 D C 0.139 176.410 176.300 -0.049 0.000 1.295 338 D CA 0.118 54.084 54.000 -0.056 0.000 0.878 338 D CB 0.035 40.803 40.800 -0.054 0.000 1.659 338 D HN 0.801 nan 8.370 nan 0.000 0.546 339 G N 2.618 111.393 108.800 -0.041 0.000 2.425 339 G HA2 0.069 4.016 3.960 -0.021 0.000 0.298 339 G HA3 0.069 4.016 3.960 -0.021 0.000 0.298 339 G C 0.520 175.397 174.900 -0.039 0.000 0.837 339 G CA 1.848 46.926 45.100 -0.035 0.000 0.961 339 G HN 2.244 nan 8.290 nan 0.000 0.496 340 S N -3.764 111.907 115.700 -0.048 0.000 3.956 340 S HA 0.474 4.931 4.470 -0.021 0.000 0.685 340 S C 0.304 174.870 174.600 -0.057 0.000 0.569 340 S CA 0.313 58.482 58.200 -0.051 0.000 1.348 340 S CB -1.169 62.005 63.200 -0.043 0.000 0.726 340 S HN 2.823 nan 8.310 nan 0.000 0.895 341 G N 1.800 110.559 108.800 -0.068 0.000 2.402 341 G HA2 0.390 4.338 3.960 -0.021 0.000 0.301 341 G HA3 0.390 4.338 3.960 -0.021 0.000 0.301 341 G C -1.352 173.497 174.900 -0.086 0.000 1.615 341 G CA -0.813 44.243 45.100 -0.073 0.000 0.889 341 G HN 0.607 nan 8.290 nan 0.000 0.647 342 N N 0.732 119.380 118.700 -0.086 0.000 2.422 342 N HA 0.357 5.084 4.740 -0.021 0.000 0.264 342 N C 0.104 175.576 175.510 -0.063 0.000 1.063 342 N CA -0.464 52.536 53.050 -0.083 0.000 0.959 342 N CB 1.465 39.900 38.487 -0.086 0.000 1.087 342 N HN 0.304 nan 8.380 nan 0.000 0.483 343 L N 3.927 125.113 121.223 -0.061 0.000 2.367 343 L HA 0.312 4.640 4.340 -0.021 0.000 0.275 343 L C 0.691 177.572 176.870 0.018 0.000 1.129 343 L CA -0.507 54.307 54.840 -0.042 0.000 0.839 343 L CB 0.517 42.531 42.059 -0.075 0.000 1.133 343 L HN 0.376 nan 8.230 nan 0.000 0.453 344 I N 1.700 122.254 120.570 -0.026 0.000 3.161 344 I HA -0.075 4.082 4.170 -0.021 0.000 0.284 344 I C 0.733 176.820 176.117 -0.051 0.000 1.252 344 I CA 0.374 61.628 61.300 -0.077 0.000 1.374 344 I CB 0.399 38.355 38.000 -0.074 0.000 1.359 344 I HN 0.677 nan 8.210 nan 0.000 0.606 345 S N 3.705 119.250 115.700 -0.259 0.000 2.497 345 S HA 0.361 4.818 4.470 -0.021 0.000 0.176 345 S C -2.189 172.286 174.600 -0.209 0.000 1.445 345 S CA -1.343 56.704 58.200 -0.255 0.000 1.092 345 S CB -0.326 62.315 63.200 -0.933 0.000 1.216 345 S HN 0.414 nan 8.310 nan 0.000 0.486 346 P HA 0.255 nan 4.420 nan 0.000 0.271 346 P C 0.222 177.492 177.300 -0.050 0.000 1.216 346 P CA 0.189 63.249 63.100 -0.066 0.000 0.776 346 P CB 0.717 32.397 31.700 -0.033 0.000 0.881 347 G N 2.906 111.683 108.800 -0.039 0.000 2.329 347 G HA2 0.476 4.423 3.960 -0.021 0.000 0.309 347 G HA3 0.476 4.423 3.960 -0.021 0.000 0.309 347 G C -0.616 174.281 174.900 -0.006 0.000 1.110 347 G CA -0.157 44.928 45.100 -0.024 0.000 0.923 347 G HN 0.398 nan 8.290 nan 0.000 0.430 348 I N 1.532 122.105 120.570 0.005 0.000 3.436 348 I HA 0.537 4.694 4.170 -0.021 0.000 0.296 348 I C 0.897 177.025 176.117 0.018 0.000 1.143 348 I CA -1.101 60.205 61.300 0.010 0.000 1.009 348 I CB 1.561 39.565 38.000 0.008 0.000 1.301 348 I HN 0.643 nan 8.210 nan 0.000 0.503 349 N N 1.443 120.154 118.700 0.018 0.000 1.161 349 N HA -0.274 4.453 4.740 -0.021 0.000 0.111 349 N C -0.558 174.969 175.510 0.028 0.000 0.779 349 N CA 1.720 54.783 53.050 0.022 0.000 0.845 349 N CB -0.613 37.887 38.487 0.022 0.000 1.034 349 N HN 0.773 nan 8.380 nan 0.000 0.629 350 D N -0.368 120.052 120.400 0.033 0.000 2.342 350 D HA 0.078 4.705 4.640 -0.021 0.000 0.154 350 D C -1.420 174.913 176.300 0.055 0.000 1.159 350 D CA -0.111 53.915 54.000 0.042 0.000 1.206 350 D CB -0.294 40.533 40.800 0.045 0.000 1.872 350 D HN 0.543 nan 8.370 nan 0.000 0.617 351 D N 2.102 122.538 120.400 0.060 0.000 2.503 351 D HA 0.106 4.733 4.640 -0.021 0.000 0.218 351 D C 0.823 177.184 176.300 0.102 0.000 1.183 351 D CA -0.312 53.734 54.000 0.076 0.000 0.827 351 D CB -0.044 40.791 40.800 0.058 0.000 1.034 351 D HN 0.380 nan 8.370 nan 0.000 0.510 352 N N 0.432 119.174 118.700 0.071 0.000 2.776 352 N HA -0.187 4.540 4.740 -0.021 0.000 0.250 352 N C 0.031 175.535 175.510 -0.011 0.000 1.112 352 N CA 1.217 54.282 53.050 0.026 0.000 0.733 352 N CB -1.725 36.796 38.487 0.056 0.000 1.097 352 N HN 0.560 nan 8.380 nan 0.000 0.558 353 T N -3.217 111.358 114.554 0.035 0.000 3.018 353 T HA 0.651 4.989 4.350 -0.021 0.000 0.338 353 T C 0.855 175.561 174.700 0.010 0.000 1.208 353 T CA 0.219 62.351 62.100 0.054 0.000 0.963 353 T CB 0.858 69.783 68.868 0.095 0.000 1.697 353 T HN 0.259 nan 8.240 nan 0.000 0.560 354 c N 0.293 118.917 118.600 0.040 0.000 3.171 354 c HA 0.888 5.445 4.570 -0.021 0.000 0.308 354 c C 0.353 174.471 174.090 0.047 0.000 1.334 354 c CA -0.463 55.880 56.329 0.024 0.000 1.473 354 c CB 1.727 44.251 42.510 0.024 0.000 1.866 354 c HN 1.241 nan 8.230 nan 0.000 0.465 355 S N 0.189 115.909 115.700 0.034 0.000 2.841 355 S HA 0.553 5.011 4.470 -0.021 0.000 0.318 355 S C -0.360 174.255 174.600 0.026 0.000 1.127 355 S CA -0.324 57.895 58.200 0.032 0.000 0.883 355 S CB 0.607 63.816 63.200 0.014 0.000 1.271 355 S HN 1.140 nan 8.310 nan 0.000 0.567 356 N N 0.266 118.963 118.700 -0.006 0.000 2.698 356 N HA -0.224 4.503 4.740 -0.021 0.000 0.258 356 N C 0.934 176.356 175.510 -0.148 0.000 0.978 356 N CA 0.775 53.793 53.050 -0.054 0.000 0.777 356 N CB -2.065 36.390 38.487 -0.053 0.000 0.907 356 N HN 2.023 nan 8.380 nan 0.000 0.543 357 G N -1.873 106.859 108.800 -0.113 0.000 2.175 357 G HA2 -0.308 3.639 3.960 -0.021 0.000 0.244 357 G HA3 -0.308 3.639 3.960 -0.021 0.000 0.244 357 G C -0.448 174.327 174.900 -0.209 0.000 0.982 357 G CA 0.328 45.312 45.100 -0.193 0.000 0.641 357 G HN 0.536 nan 8.290 nan 0.000 0.527 358 Y N -0.130 120.177 120.300 0.012 0.000 2.328 358 Y HA 0.498 5.035 4.550 -0.021 0.000 0.333 358 Y C 1.468 177.389 175.900 0.035 0.000 0.958 358 Y CA -0.508 57.614 58.100 0.037 0.000 1.167 358 Y CB 1.953 40.334 38.460 -0.131 0.000 1.151 358 Y HN -0.040 nan 8.280 nan 0.000 0.470 359 V N 0.226 120.244 119.914 0.173 0.000 2.626 359 V HA -0.239 3.869 4.120 -0.021 0.000 0.252 359 V C 0.982 177.033 176.094 -0.072 0.000 1.067 359 V CA 0.438 62.736 62.300 -0.002 0.000 1.081 359 V CB -0.920 30.705 31.823 -0.331 0.000 0.686 359 V HN 1.070 nan 8.190 nan 0.000 0.468 360 c N 1.456 120.054 118.600 -0.004 0.000 3.112 360 c HA -0.165 4.393 4.570 -0.021 0.000 0.265 360 c C 1.768 175.501 174.090 -0.595 0.000 1.283 360 c CA 0.537 56.751 56.329 -0.191 0.000 2.378 360 c CB -2.473 39.932 42.510 -0.175 0.000 1.500 360 c HN 0.674 nan 8.230 nan 0.000 0.483 361 E N 0.848 120.675 120.200 -0.622 0.000 2.058 361 E HA -0.185 4.152 4.350 -0.021 0.000 0.194 361 E C 2.014 178.291 176.600 -0.539 0.000 0.997 361 E CA 1.902 57.699 56.400 -1.005 0.000 0.801 361 E CB -0.252 29.089 29.700 -0.599 0.000 0.746 361 E HN 0.973 nan 8.360 nan 0.000 0.450 362 H N 0.340 119.336 119.070 -0.123 0.000 2.460 362 H HA -0.070 4.473 4.556 -0.021 0.000 0.297 362 H C 1.115 176.702 175.328 0.431 0.000 1.103 362 H CA 1.212 57.366 56.048 0.176 0.000 1.292 362 H CB -0.150 29.654 29.762 0.071 0.000 1.376 362 H HN 0.070 nan 8.280 nan 0.000 0.531 363 R N -0.317 120.029 120.500 -0.258 0.000 2.310 363 R HA 0.005 4.333 4.340 -0.021 0.000 0.202 363 R C -0.286 176.306 176.300 0.487 0.000 0.933 363 R CA -0.302 55.795 56.100 -0.004 0.000 1.054 363 R CB -0.059 29.875 30.300 -0.610 0.000 0.985 363 R HN 0.216 nan 8.270 nan 0.000 0.489 364 W N 1.740 123.103 121.300 0.104 0.000 2.253 364 W HA 0.180 4.827 4.660 -0.022 0.000 0.322 364 W C 1.722 178.002 176.519 -0.399 0.000 1.342 364 W CA -1.360 55.950 57.345 -0.057 0.000 1.218 364 W CB 0.176 29.604 29.460 -0.053 0.000 1.205 364 W HN -0.032 nan 8.180 nan 0.000 0.551 365 R N 1.570 121.895 120.500 -0.291 0.000 2.154 365 R HA -0.343 3.985 4.340 -0.021 0.000 0.236 365 R C 2.233 178.212 176.300 -0.535 0.000 1.121 365 R CA 3.102 58.805 56.100 -0.661 0.000 0.915 365 R CB -0.346 29.811 30.300 -0.238 0.000 0.856 365 R HN 0.504 nan 8.270 nan 0.000 0.431 366 Q N -0.490 119.178 119.800 -0.219 0.000 2.118 366 Q HA -0.217 4.111 4.340 -0.021 0.000 0.211 366 Q C 2.082 178.031 176.000 -0.085 0.000 0.998 366 Q CA 2.105 57.835 55.803 -0.121 0.000 0.872 366 Q CB -0.850 27.850 28.738 -0.064 0.000 0.925 366 Q HN 0.355 nan 8.270 nan 0.000 0.414 367 V N 0.264 120.176 119.914 -0.003 0.000 2.239 367 V HA -0.240 3.867 4.120 -0.021 0.000 0.242 367 V C 2.144 178.313 176.094 0.125 0.000 1.038 367 V CA 1.901 64.241 62.300 0.066 0.000 1.002 367 V CB -0.616 31.292 31.823 0.142 0.000 0.641 367 V HN 0.570 nan 8.190 nan 0.000 0.449 368 Y N 1.676 122.132 120.300 0.260 0.000 2.181 368 Y HA 0.136 4.673 4.550 -0.021 0.000 0.288 368 Y C 2.372 178.330 175.900 0.096 0.000 1.146 368 Y CA 1.345 59.591 58.100 0.244 0.000 1.164 368 Y CB -1.889 36.872 38.460 0.502 0.000 0.982 368 Y HN 0.185 nan 8.280 nan 0.000 0.515 369 G N 0.678 109.593 108.800 0.191 0.000 2.469 369 G HA2 -0.329 3.618 3.960 -0.021 0.000 0.220 369 G HA3 -0.329 3.618 3.960 -0.021 0.000 0.220 369 G C 1.542 176.501 174.900 0.098 0.000 1.136 369 G CA 1.488 46.703 45.100 0.191 0.000 0.759 369 G HN 0.472 nan 8.290 nan 0.000 0.562 370 M N 0.347 119.953 119.600 0.011 0.000 2.349 370 M HA 0.154 4.622 4.480 -0.021 0.000 0.266 370 M C 2.416 178.731 176.300 0.026 0.000 1.076 370 M CA 0.640 55.909 55.300 -0.052 0.000 1.126 370 M CB -0.023 32.481 32.600 -0.160 0.000 1.392 370 M HN 0.028 nan 8.290 nan 0.000 0.440 371 V N -0.282 119.620 119.914 -0.020 0.000 2.261 371 V HA -0.188 3.919 4.120 -0.021 0.000 0.246 371 V C 2.435 178.496 176.094 -0.056 0.000 1.047 371 V CA 2.076 64.291 62.300 -0.141 0.000 1.015 371 V CB -2.014 29.496 31.823 -0.521 0.000 0.642 371 V HN 0.604 nan 8.190 nan 0.000 0.446 372 G N -0.967 107.833 108.800 -0.001 0.000 2.432 372 G HA2 -0.304 3.643 3.960 -0.021 0.000 0.219 372 G HA3 -0.304 3.643 3.960 -0.021 0.000 0.219 372 G C 1.522 176.557 174.900 0.225 0.000 1.135 372 G CA 0.885 46.036 45.100 0.086 0.000 0.767 372 G HN 0.474 nan 8.290 nan 0.000 0.550 373 F N 1.529 121.480 119.950 0.002 0.000 2.095 373 F HA -0.096 4.418 4.527 -0.022 0.000 0.298 373 F C 2.648 178.465 175.800 0.028 0.000 1.104 373 F CA 2.019 59.945 58.000 -0.124 0.000 1.232 373 F CB -0.306 38.496 39.000 -0.329 0.000 0.987 373 F HN 0.106 nan 8.300 nan 0.000 0.475 374 R N 0.316 121.033 120.500 0.362 0.000 2.097 374 R HA -0.237 4.090 4.340 -0.021 0.000 0.236 374 R C 2.071 178.431 176.300 0.101 0.000 1.135 374 R CA 2.195 58.439 56.100 0.239 0.000 0.934 374 R CB -0.540 29.847 30.300 0.145 0.000 0.846 374 R HN 0.310 nan 8.270 nan 0.000 0.431 375 N N 0.516 119.255 118.700 0.064 0.000 2.021 375 N HA -0.241 4.486 4.740 -0.021 0.000 0.198 375 N C 1.653 177.169 175.510 0.011 0.000 1.041 375 N CA 2.045 55.113 53.050 0.030 0.000 0.862 375 N CB -0.708 37.786 38.487 0.012 0.000 1.048 375 N HN 0.395 nan 8.380 nan 0.000 0.427 376 A N 0.200 123.030 122.820 0.016 0.000 1.997 376 A HA -0.161 4.146 4.320 -0.021 0.000 0.221 376 A C 1.929 179.468 177.584 -0.075 0.000 1.172 376 A CA 2.108 54.123 52.037 -0.037 0.000 0.645 376 A CB -0.835 18.182 19.000 0.029 0.000 0.813 376 A HN 0.321 nan 8.150 nan 0.000 0.454 377 V N -1.006 118.860 119.914 -0.080 0.000 3.444 377 V HA 0.183 4.291 4.120 -0.021 0.000 0.308 377 V C 0.460 176.545 176.094 -0.015 0.000 1.371 377 V CA 0.201 62.457 62.300 -0.073 0.000 1.141 377 V CB -1.260 30.507 31.823 -0.093 0.000 1.037 377 V HN 0.651 nan 8.190 nan 0.000 0.433 378 E N 1.203 121.399 120.200 -0.007 0.000 2.415 378 E HA 0.411 4.749 4.350 -0.021 0.000 0.262 378 E C 1.052 177.651 176.600 -0.001 0.000 1.038 378 E CA 0.318 56.720 56.400 0.003 0.000 0.921 378 E CB 0.672 30.372 29.700 0.000 0.000 0.950 378 E HN 0.810 nan 8.360 nan 0.000 0.438 379 G N 2.553 111.355 108.800 0.004 0.000 2.176 379 G HA2 -0.304 3.643 3.960 -0.021 0.000 0.253 379 G HA3 -0.304 3.643 3.960 -0.021 0.000 0.253 379 G C 0.253 175.161 174.900 0.014 0.000 0.979 379 G CA 0.388 45.489 45.100 0.003 0.000 0.641 379 G HN 1.063 nan 8.290 nan 0.000 0.530 380 T N -0.500 114.068 114.554 0.023 0.000 2.743 380 T HA 0.609 4.946 4.350 -0.021 0.000 0.293 380 T C 0.504 175.233 174.700 0.048 0.000 0.945 380 T CA 0.290 62.412 62.100 0.036 0.000 1.030 380 T CB 1.673 70.565 68.868 0.041 0.000 0.912 380 T HN 0.947 nan 8.240 nan 0.000 0.483 381 Q N 2.758 122.586 119.800 0.047 0.000 2.500 381 Q HA 0.471 4.799 4.340 -0.021 0.000 0.215 381 Q C -0.538 175.500 176.000 0.064 0.000 1.062 381 Q CA -0.943 54.888 55.803 0.046 0.000 0.996 381 Q CB 0.171 28.934 28.738 0.043 0.000 1.239 381 Q HN 0.550 nan 8.270 nan 0.000 0.578 382 V N 1.339 121.278 119.914 0.041 0.000 2.485 382 V HA 0.150 4.258 4.120 -0.021 0.000 0.287 382 V C -0.011 176.159 176.094 0.125 0.000 1.022 382 V CA 0.293 62.623 62.300 0.050 0.000 1.067 382 V CB -0.659 31.143 31.823 -0.034 0.000 0.967 382 V HN 0.772 nan 8.190 nan 0.000 0.479 383 E N 3.180 123.511 120.200 0.217 0.000 2.390 383 E HA 0.409 4.747 4.350 -0.021 0.000 0.277 383 E C -0.679 176.110 176.600 0.315 0.000 0.939 383 E CA -1.077 55.458 56.400 0.226 0.000 0.769 383 E CB 1.512 31.310 29.700 0.164 0.000 1.251 383 E HN 0.621 nan 8.360 nan 0.000 0.450 384 N N 1.776 120.647 118.700 0.285 0.000 2.699 384 N HA -0.178 4.549 4.740 -0.021 0.000 0.257 384 N C -1.297 174.462 175.510 0.415 0.000 1.077 384 N CA 0.432 53.662 53.050 0.300 0.000 0.702 384 N CB -0.460 38.166 38.487 0.232 0.000 0.886 384 N HN 0.508 nan 8.380 nan 0.000 0.549 385 W N 0.931 122.397 121.300 0.276 0.000 2.126 385 W HA 0.420 5.074 4.660 -0.011 0.000 0.346 385 W C 0.125 176.891 176.519 0.411 0.000 1.279 385 W CA 0.074 57.611 57.345 0.319 0.000 1.259 385 W CB 0.646 30.211 29.460 0.175 0.000 1.133 385 W HN 0.340 nan 8.180 nan 0.000 0.592 386 W N 4.592 125.604 121.300 -0.480 0.000 3.275 386 W HA 0.385 5.033 4.660 -0.019 0.000 0.306 386 W C -1.804 174.592 176.519 -0.205 0.000 1.259 386 W CA -0.435 56.821 57.345 -0.148 0.000 1.194 386 W CB 1.280 30.707 29.460 -0.055 0.000 1.375 386 W HN 0.502 nan 8.180 nan 0.000 0.564 387 S N 1.703 116.808 115.700 -0.992 0.000 2.611 387 S HA 0.290 4.747 4.470 -0.021 0.000 0.268 387 S C -0.501 173.665 174.600 -0.723 0.000 1.156 387 S CA -0.557 57.304 58.200 -0.566 0.000 0.817 387 S CB 1.420 64.580 63.200 -0.066 0.000 1.122 387 S HN 0.633 nan 8.310 nan 0.000 0.466 388 N N -0.116 118.430 118.700 -0.258 0.000 2.273 388 N HA 0.116 4.843 4.740 -0.021 0.000 0.231 388 N C -0.884 174.560 175.510 -0.110 0.000 1.134 388 N CA 0.339 53.295 53.050 -0.157 0.000 0.856 388 N CB -0.553 37.938 38.487 0.008 0.000 1.068 388 N HN 0.669 nan 8.380 nan 0.000 0.510 389 D N 0.309 120.639 120.400 -0.118 0.000 2.701 389 D HA -0.194 4.433 4.640 -0.021 0.000 0.235 389 D C -0.241 176.038 176.300 -0.034 0.000 1.155 389 D CA 1.648 55.613 54.000 -0.058 0.000 0.649 389 D CB -0.838 39.922 40.800 -0.068 0.000 1.050 389 D HN 0.746 nan 8.370 nan 0.000 0.425 390 D N -1.775 118.611 120.400 -0.024 0.000 2.398 390 D HA 0.110 4.738 4.640 -0.021 0.000 0.075 390 D C -0.564 175.716 176.300 -0.033 0.000 1.428 390 D CA -0.398 53.586 54.000 -0.026 0.000 1.247 390 D CB 0.064 40.852 40.800 -0.021 0.000 2.632 390 D HN -0.040 nan 8.370 nan 0.000 0.212 391 N N 0.497 119.183 118.700 -0.024 0.000 2.497 391 N HA 0.289 5.016 4.740 -0.021 0.000 0.284 391 N C -1.321 174.198 175.510 0.014 0.000 1.459 391 N CA 0.064 53.087 53.050 -0.045 0.000 0.899 391 N CB 1.413 39.861 38.487 -0.064 0.000 1.316 391 N HN 0.278 nan 8.380 nan 0.000 0.500 392 Q N 0.638 120.476 119.800 0.062 0.000 2.275 392 Q HA 0.485 4.812 4.340 -0.021 0.000 0.266 392 Q C -0.939 175.168 176.000 0.179 0.000 1.002 392 Q CA -0.370 55.522 55.803 0.147 0.000 0.761 392 Q CB 2.420 31.249 28.738 0.152 0.000 1.255 392 Q HN 0.054 nan 8.270 nan 0.000 0.446 393 I N 1.453 122.198 120.570 0.292 0.000 2.785 393 I HA 0.882 5.039 4.170 -0.021 0.000 0.302 393 I C -0.598 175.594 176.117 0.125 0.000 1.069 393 I CA -0.723 60.721 61.300 0.240 0.000 1.045 393 I CB 1.954 40.191 38.000 0.395 0.000 1.236 393 I HN 0.713 nan 8.210 nan 0.000 0.429 394 A N 4.836 127.619 122.820 -0.062 0.000 2.594 394 A HA 0.873 5.181 4.320 -0.021 0.000 0.296 394 A C -1.401 176.116 177.584 -0.111 0.000 1.061 394 A CA -0.418 51.498 52.037 -0.201 0.000 0.689 394 A CB 1.854 20.843 19.000 -0.018 0.000 1.280 394 A HN 0.778 nan 8.150 nan 0.000 0.406 395 F N -1.246 118.508 119.950 -0.327 0.000 3.569 395 F HA 0.822 5.339 4.527 -0.017 0.000 0.328 395 F C -0.619 175.153 175.800 -0.047 0.000 1.077 395 F CA -0.217 57.716 58.000 -0.112 0.000 0.832 395 F CB 0.497 39.457 39.000 -0.066 0.000 1.588 395 F HN 1.555 nan 8.300 nan 0.000 0.482 396 S N 0.175 116.003 115.700 0.214 0.000 2.543 396 S HA 0.584 5.041 4.470 -0.021 0.000 0.274 396 S C -1.779 172.975 174.600 0.258 0.000 1.149 396 S CA -1.207 57.067 58.200 0.122 0.000 0.866 396 S CB 2.077 65.397 63.200 0.201 0.000 1.111 396 S HN 0.845 nan 8.310 nan 0.000 0.457 397 R N 2.113 122.723 120.500 0.182 0.000 3.235 397 R HA 0.537 4.864 4.340 -0.021 0.000 0.232 397 R C 1.280 177.631 176.300 0.085 0.000 1.475 397 R CA 0.649 56.843 56.100 0.156 0.000 1.405 397 R CB -0.414 29.965 30.300 0.133 0.000 1.266 397 R HN 1.397 nan 8.270 nan 0.000 0.650 398 G N 0.974 109.833 108.800 0.098 0.000 2.692 398 G HA2 -0.365 3.582 3.960 -0.021 0.000 0.248 398 G HA3 -0.365 3.582 3.960 -0.021 0.000 0.248 398 G C 0.659 175.586 174.900 0.045 0.000 1.340 398 G CA 0.117 45.256 45.100 0.065 0.000 0.896 398 G HN 0.423 nan 8.290 nan 0.000 0.570 399 S N -0.179 115.540 115.700 0.031 0.000 2.595 399 S HA -0.047 4.410 4.470 -0.021 0.000 0.235 399 S C 1.996 176.606 174.600 0.017 0.000 0.974 399 S CA 1.885 60.100 58.200 0.025 0.000 0.942 399 S CB -0.299 62.915 63.200 0.022 0.000 0.766 399 S HN 0.573 nan 8.310 nan 0.000 0.536 400 Q N 0.208 120.007 119.800 -0.001 0.000 2.250 400 Q HA 0.337 4.664 4.340 -0.021 0.000 0.200 400 Q C 1.129 177.086 176.000 -0.070 0.000 0.941 400 Q CA 0.798 56.580 55.803 -0.036 0.000 0.872 400 Q CB -0.261 28.445 28.738 -0.054 0.000 0.965 400 Q HN 0.529 nan 8.270 nan 0.000 0.480 401 G N 0.092 108.847 108.800 -0.074 0.000 2.576 401 G HA2 0.486 4.433 3.960 -0.021 0.000 0.290 401 G HA3 0.486 4.433 3.960 -0.021 0.000 0.290 401 G C -2.086 172.850 174.900 0.060 0.000 1.442 401 G CA -0.641 44.381 45.100 -0.131 0.000 0.792 401 G HN 0.058 nan 8.290 nan 0.000 0.491 402 F N 0.235 120.168 119.950 -0.028 0.000 2.645 402 F HA 0.835 5.349 4.527 -0.021 0.000 0.310 402 F C -1.278 174.445 175.800 -0.128 0.000 1.102 402 F CA -0.837 57.104 58.000 -0.098 0.000 0.952 402 F CB 2.126 41.002 39.000 -0.206 0.000 1.326 402 F HN 0.713 nan 8.300 nan 0.000 0.456 403 V N 1.363 120.083 119.914 -1.989 0.000 3.242 403 V HA 1.014 5.121 4.120 -0.021 0.000 0.298 403 V C -0.956 173.974 176.094 -1.940 0.000 1.352 403 V CA -0.577 60.599 62.300 -1.873 0.000 1.052 403 V CB 0.751 31.784 31.823 -1.317 0.000 1.101 403 V HN 1.525 nan 8.190 nan 0.000 0.446 404 A N 1.404 123.314 122.820 -1.516 0.000 2.586 404 A HA 1.069 5.376 4.320 -0.021 0.000 0.290 404 A C -1.799 175.144 177.584 -1.068 0.000 1.086 404 A CA -0.542 50.798 52.037 -1.161 0.000 0.665 404 A CB 1.916 20.635 19.000 -0.468 0.000 1.279 404 A HN 1.927 nan 8.150 nan 0.000 0.423 405 F N -2.512 117.413 119.950 -0.041 0.000 2.978 405 F HA 0.879 5.393 4.527 -0.022 0.000 0.324 405 F C -0.405 175.415 175.800 0.034 0.000 1.157 405 F CA -0.428 57.578 58.000 0.010 0.000 0.879 405 F CB 1.013 40.046 39.000 0.055 0.000 1.364 405 F HN 1.043 nan 8.300 nan 0.000 0.465 406 T N -0.350 114.378 114.554 0.289 0.000 3.393 406 T HA 0.364 4.701 4.350 -0.021 0.000 0.359 406 T C -0.915 173.833 174.700 0.080 0.000 1.380 406 T CA -0.470 61.719 62.100 0.148 0.000 1.132 406 T CB 0.957 69.895 68.868 0.118 0.000 1.284 406 T HN 0.670 nan 8.240 nan 0.000 0.477 407 N N 2.211 120.926 118.700 0.024 0.000 2.402 407 N HA 0.320 5.048 4.740 -0.021 0.000 0.174 407 N C 0.657 176.171 175.510 0.007 0.000 1.027 407 N CA 0.720 53.770 53.050 0.001 0.000 0.891 407 N CB 0.624 39.080 38.487 -0.051 0.000 1.016 407 N HN 0.806 nan 8.380 nan 0.000 0.439 408 G N -1.083 107.723 108.800 0.011 0.000 2.513 408 G HA2 0.537 4.485 3.960 -0.021 0.000 0.282 408 G HA3 0.537 4.485 3.960 -0.021 0.000 0.282 408 G C -0.706 174.209 174.900 0.025 0.000 1.397 408 G CA -0.217 44.890 45.100 0.013 0.000 1.291 408 G HN 0.315 nan 8.290 nan 0.000 0.596 409 G N 2.027 110.845 108.800 0.031 0.000 3.393 409 G HA2 0.095 4.043 3.960 -0.021 0.000 0.676 409 G HA3 0.095 4.043 3.960 -0.021 0.000 0.676 409 G C -0.672 174.260 174.900 0.052 0.000 1.224 409 G CA -0.975 44.148 45.100 0.040 0.000 1.109 409 G HN 0.648 nan 8.290 nan 0.000 0.519 410 D N 1.635 122.061 120.400 0.044 0.000 2.402 410 D HA 0.077 4.704 4.640 -0.021 0.000 0.268 410 D C 0.965 177.299 176.300 0.057 0.000 1.294 410 D CA 0.068 54.095 54.000 0.044 0.000 0.945 410 D CB 1.442 42.262 40.800 0.032 0.000 1.112 410 D HN 0.350 nan 8.370 nan 0.000 0.517 411 L N 4.160 125.424 121.223 0.067 0.000 2.451 411 L HA 0.016 4.343 4.340 -0.021 0.000 0.272 411 L C 0.056 176.955 176.870 0.048 0.000 1.258 411 L CA 0.031 54.920 54.840 0.082 0.000 1.132 411 L CB -0.551 41.566 42.059 0.098 0.000 1.361 411 L HN 0.139 nan 8.230 nan 0.000 0.438 412 N N 3.825 122.551 118.700 0.043 0.000 3.112 412 N HA 0.159 4.886 4.740 -0.021 0.000 0.270 412 N C -0.396 175.122 175.510 0.013 0.000 1.385 412 N CA -0.261 52.799 53.050 0.018 0.000 0.986 412 N CB 0.937 39.434 38.487 0.018 0.000 1.261 412 N HN 0.586 nan 8.380 nan 0.000 0.495 413 Q N 0.647 120.441 119.800 -0.010 0.000 2.427 413 Q HA 0.436 4.764 4.340 -0.021 0.000 0.232 413 Q C -0.912 175.023 176.000 -0.109 0.000 1.018 413 Q CA -0.546 55.232 55.803 -0.041 0.000 0.965 413 Q CB 1.099 29.801 28.738 -0.061 0.000 1.232 413 Q HN 0.267 nan 8.270 nan 0.000 0.510 414 N N 1.382 119.985 118.700 -0.161 0.000 2.609 414 N HA 0.335 5.063 4.740 -0.021 0.000 0.268 414 N C -1.093 174.244 175.510 -0.289 0.000 1.106 414 N CA -0.069 52.874 53.050 -0.178 0.000 0.823 414 N CB 0.995 39.419 38.487 -0.105 0.000 1.263 414 N HN 0.394 nan 8.380 nan 0.000 0.533 415 L N 1.058 122.066 121.223 -0.359 0.000 2.664 415 L HA 0.515 4.842 4.340 -0.021 0.000 0.253 415 L C 0.545 177.202 176.870 -0.355 0.000 1.293 415 L CA -0.857 53.701 54.840 -0.469 0.000 1.280 415 L CB 0.805 42.518 42.059 -0.577 0.000 1.993 415 L HN 0.484 nan 8.230 nan 0.000 0.577 416 N N -2.553 115.934 118.700 -0.356 0.000 2.619 416 N HA 0.428 5.155 4.740 -0.021 0.000 0.294 416 N C -0.248 175.008 175.510 -0.423 0.000 1.279 416 N CA 0.175 53.054 53.050 -0.285 0.000 0.867 416 N CB 1.885 40.283 38.487 -0.149 0.000 1.329 416 N HN 0.617 nan 8.380 nan 0.000 0.557 417 T N -4.186 110.154 114.554 -0.357 0.000 3.147 417 T HA 0.267 4.604 4.350 -0.021 0.000 0.275 417 T C 1.234 175.851 174.700 -0.137 0.000 0.879 417 T CA 0.460 62.317 62.100 -0.405 0.000 0.863 417 T CB -0.506 67.957 68.868 -0.675 0.000 1.236 417 T HN 1.082 nan 8.240 nan 0.000 0.582 418 G N 1.636 110.376 108.800 -0.101 0.000 2.233 418 G HA2 -0.191 3.757 3.960 -0.021 0.000 0.270 418 G HA3 -0.191 3.757 3.960 -0.021 0.000 0.270 418 G C -0.193 174.696 174.900 -0.018 0.000 1.011 418 G CA 0.880 45.963 45.100 -0.028 0.000 0.762 418 G HN 0.661 nan 8.290 nan 0.000 0.511 419 L N -0.058 121.138 121.223 -0.045 0.000 2.299 419 L HA 0.724 5.052 4.340 -0.021 0.000 0.268 419 L C -1.747 175.161 176.870 0.063 0.000 1.012 419 L CA -2.312 52.536 54.840 0.013 0.000 0.816 419 L CB 0.889 42.947 42.059 -0.003 0.000 1.355 419 L HN -0.142 nan 8.230 nan 0.000 0.457 420 P HA 0.114 nan 4.420 nan 0.000 0.265 420 P C -1.158 176.227 177.300 0.141 0.000 1.193 420 P CA -0.332 62.823 63.100 0.091 0.000 0.765 420 P CB 0.230 31.965 31.700 0.057 0.000 0.823 421 A N 2.708 125.569 122.820 0.068 0.000 2.524 421 A HA 0.509 4.816 4.320 -0.021 0.000 0.250 421 A C 0.940 178.552 177.584 0.047 0.000 1.078 421 A CA 1.164 53.240 52.037 0.066 0.000 0.761 421 A CB -0.924 18.087 19.000 0.018 0.000 1.012 421 A HN 0.775 nan 8.150 nan 0.000 0.500 422 G N 0.697 109.559 108.800 0.102 0.000 2.356 422 G HA2 0.522 4.470 3.960 -0.021 0.000 0.281 422 G HA3 0.522 4.470 3.960 -0.021 0.000 0.281 422 G C -0.818 174.058 174.900 -0.040 0.000 1.246 422 G CA 0.112 45.162 45.100 -0.083 0.000 0.889 422 G HN 0.899 nan 8.290 nan 0.000 0.486 423 T N 0.147 114.516 114.554 -0.309 0.000 2.876 423 T HA 0.704 5.042 4.350 -0.021 0.000 0.289 423 T C -1.775 172.760 174.700 -0.275 0.000 1.014 423 T CA -0.139 61.912 62.100 -0.082 0.000 0.986 423 T CB 1.483 70.332 68.868 -0.033 0.000 1.021 423 T HN 0.430 nan 8.240 nan 0.000 0.458 424 Y N -0.269 120.026 120.300 -0.009 0.000 2.442 424 Y HA 0.436 4.973 4.550 -0.021 0.000 0.344 424 Y C -0.057 175.863 175.900 0.034 0.000 0.976 424 Y CA -1.489 56.622 58.100 0.019 0.000 1.040 424 Y CB 1.005 39.484 38.460 0.031 0.000 1.228 424 Y HN 0.577 nan 8.280 nan 0.000 0.451 425 c N 3.057 121.767 118.600 0.184 0.000 2.322 425 c HA 0.168 4.726 4.570 -0.021 0.000 0.343 425 c C 0.639 174.828 174.090 0.164 0.000 1.190 425 c CA -0.642 55.769 56.329 0.137 0.000 1.704 425 c CB -1.657 40.917 42.510 0.106 0.000 2.293 425 c HN 0.860 nan 8.230 nan 0.000 0.523 426 D N 1.553 122.031 120.400 0.130 0.000 2.474 426 D HA 0.034 4.661 4.640 -0.021 0.000 0.232 426 D C 1.144 177.502 176.300 0.097 0.000 1.177 426 D CA 0.347 54.412 54.000 0.108 0.000 0.876 426 D CB 0.937 41.776 40.800 0.065 0.000 1.208 426 D HN 0.397 nan 8.370 nan 0.000 0.464 427 V N 1.759 121.717 119.914 0.072 0.000 3.085 427 V HA 0.036 4.143 4.120 -0.021 0.000 0.245 427 V C 1.983 178.080 176.094 0.004 0.000 1.114 427 V CA 0.163 62.502 62.300 0.065 0.000 1.108 427 V CB -0.453 31.407 31.823 0.062 0.000 0.798 427 V HN 0.571 nan 8.190 nan 0.000 0.471 428 I N 3.003 123.554 120.570 -0.032 0.000 2.076 428 I HA -0.199 3.958 4.170 -0.021 0.000 0.237 428 I C 3.003 179.090 176.117 -0.049 0.000 1.059 428 I CA 2.602 63.866 61.300 -0.061 0.000 1.317 428 I CB -1.539 36.425 38.000 -0.060 0.000 1.037 428 I HN 0.641 nan 8.210 nan 0.000 0.398 429 S N -0.215 115.471 115.700 -0.024 0.000 2.377 429 S HA 0.116 4.573 4.470 -0.021 0.000 0.223 429 S C 1.125 175.727 174.600 0.005 0.000 1.030 429 S CA 0.518 58.709 58.200 -0.015 0.000 0.970 429 S CB -0.538 62.660 63.200 -0.003 0.000 0.830 429 S HN 0.475 nan 8.310 nan 0.000 0.473 430 G N 0.148 108.963 108.800 0.025 0.000 2.798 430 G HA2 0.658 4.606 3.960 -0.021 0.000 0.286 430 G HA3 0.658 4.606 3.960 -0.021 0.000 0.286 430 G C -1.425 173.524 174.900 0.081 0.000 1.389 430 G CA -0.695 44.436 45.100 0.051 0.000 0.894 430 G HN 0.550 nan 8.290 nan 0.000 0.488 431 E N -1.937 118.322 120.200 0.098 0.000 2.435 431 E HA 0.549 4.886 4.350 -0.021 0.000 0.272 431 E C -1.559 175.101 176.600 0.100 0.000 1.031 431 E CA -1.003 55.471 56.400 0.125 0.000 0.872 431 E CB 1.232 31.030 29.700 0.164 0.000 1.588 431 E HN 0.576 nan 8.360 nan 0.000 0.460 432 L N 0.173 121.454 121.223 0.098 0.000 2.272 432 L HA 0.687 5.014 4.340 -0.021 0.000 0.289 432 L C -0.468 176.439 176.870 0.062 0.000 1.032 432 L CA -0.692 54.188 54.840 0.067 0.000 0.810 432 L CB 1.244 43.334 42.059 0.052 0.000 1.205 432 L HN 0.601 nan 8.230 nan 0.000 0.422 433 S N 0.699 116.430 115.700 0.052 0.000 2.647 433 S HA 0.713 5.170 4.470 -0.021 0.000 0.300 433 S C 0.571 175.190 174.600 0.032 0.000 1.129 433 S CA -0.203 58.025 58.200 0.047 0.000 1.029 433 S CB 1.238 64.471 63.200 0.056 0.000 1.007 433 S HN 1.895 nan 8.310 nan 0.000 0.484 434 G N 1.800 110.616 108.800 0.026 0.000 2.323 434 G HA2 0.163 4.110 3.960 -0.021 0.000 0.292 434 G HA3 0.163 4.110 3.960 -0.021 0.000 0.292 434 G C 1.182 176.089 174.900 0.012 0.000 1.040 434 G CA 0.395 45.505 45.100 0.017 0.000 0.942 434 G HN 2.532 nan 8.290 nan 0.000 0.506 435 G N -2.224 106.582 108.800 0.010 0.000 2.179 435 G HA2 0.078 4.025 3.960 -0.021 0.000 0.257 435 G HA3 0.078 4.025 3.960 -0.021 0.000 0.257 435 G C 0.356 175.258 174.900 0.003 0.000 1.010 435 G CA 1.425 46.525 45.100 0.001 0.000 0.736 435 G HN 2.166 nan 8.290 nan 0.000 0.513 436 S N -1.906 113.801 115.700 0.012 0.000 2.541 436 S HA 0.579 5.036 4.470 -0.021 0.000 0.271 436 S C 0.259 174.875 174.600 0.026 0.000 1.133 436 S CA -0.086 58.122 58.200 0.014 0.000 0.876 436 S CB 1.168 64.376 63.200 0.013 0.000 1.105 436 S HN 0.804 nan 8.310 nan 0.000 0.470 437 c N 2.956 121.572 118.600 0.028 0.000 2.585 437 c HA 0.373 4.930 4.570 -0.021 0.000 0.406 437 c C 2.245 176.359 174.090 0.039 0.000 1.312 437 c CA 0.079 56.432 56.329 0.040 0.000 1.924 437 c CB -0.017 42.517 42.510 0.041 0.000 2.578 437 c HN 0.988 nan 8.230 nan 0.000 0.580 438 T N -0.245 114.338 114.554 0.049 0.000 3.100 438 T HA 0.220 4.557 4.350 -0.021 0.000 0.253 438 T C 1.132 175.855 174.700 0.038 0.000 1.118 438 T CA 0.854 62.981 62.100 0.045 0.000 1.058 438 T CB 0.148 69.049 68.868 0.055 0.000 0.953 438 T HN 0.858 nan 8.240 nan 0.000 0.515 439 G N 0.637 109.460 108.800 0.039 0.000 2.508 439 G HA2 0.357 4.304 3.960 -0.021 0.000 0.167 439 G HA3 0.357 4.304 3.960 -0.021 0.000 0.167 439 G C -0.572 174.345 174.900 0.028 0.000 1.534 439 G CA -0.577 44.541 45.100 0.029 0.000 0.707 439 G HN 0.455 nan 8.290 nan 0.000 0.717 440 K N 1.342 121.763 120.400 0.035 0.000 2.394 440 K HA 0.536 4.843 4.320 -0.021 0.000 0.260 440 K C -1.038 175.590 176.600 0.046 0.000 0.967 440 K CA -0.353 55.955 56.287 0.034 0.000 0.855 440 K CB 1.555 34.073 32.500 0.030 0.000 1.101 440 K HN 0.156 nan 8.250 nan 0.000 0.433 441 S N 5.019 120.741 115.700 0.037 0.000 3.170 441 S HA 0.171 4.628 4.470 -0.021 0.000 0.257 441 S C -0.101 174.521 174.600 0.036 0.000 1.284 441 S CA -0.811 57.413 58.200 0.040 0.000 0.973 441 S CB -0.547 62.669 63.200 0.026 0.000 1.330 441 S HN 0.432 nan 8.310 nan 0.000 0.493 442 V N 3.074 123.018 119.914 0.051 0.000 2.834 442 V HA 0.648 4.756 4.120 -0.021 0.000 0.301 442 V C 0.438 176.562 176.094 0.050 0.000 1.066 442 V CA -0.495 61.825 62.300 0.034 0.000 1.052 442 V CB 0.858 32.695 31.823 0.023 0.000 1.021 442 V HN 0.592 nan 8.190 nan 0.000 0.480 443 T N 2.503 117.070 114.554 0.021 0.000 2.934 443 T HA 0.686 5.023 4.350 -0.021 0.000 0.283 443 T C -0.383 174.329 174.700 0.019 0.000 1.005 443 T CA -0.474 61.647 62.100 0.034 0.000 1.041 443 T CB 1.615 70.485 68.868 0.004 0.000 1.042 443 T HN 0.776 nan 8.240 nan 0.000 0.505 444 V N 1.807 121.760 119.914 0.065 0.000 2.445 444 V HA 0.518 4.625 4.120 -0.021 0.000 0.283 444 V C 0.905 177.012 176.094 0.022 0.000 1.014 444 V CA -1.089 61.221 62.300 0.017 0.000 0.852 444 V CB 1.152 33.004 31.823 0.048 0.000 1.021 444 V HN 1.134 nan 8.190 nan 0.000 0.435 445 G N 2.873 111.660 108.800 -0.022 0.000 2.785 445 G HA2 0.038 3.985 3.960 -0.021 0.000 0.256 445 G HA3 0.038 3.985 3.960 -0.021 0.000 0.256 445 G C 0.591 175.485 174.900 -0.010 0.000 1.248 445 G CA 0.397 45.486 45.100 -0.018 0.000 0.914 445 G HN 1.026 nan 8.290 nan 0.000 0.580 446 D N -1.772 118.622 120.400 -0.011 0.000 2.417 446 D HA -0.082 4.545 4.640 -0.021 0.000 0.240 446 D C 0.761 177.056 176.300 -0.009 0.000 1.062 446 D CA 0.575 54.571 54.000 -0.007 0.000 0.959 446 D CB -0.065 40.730 40.800 -0.009 0.000 0.877 446 D HN 0.352 nan 8.370 nan 0.000 0.528 447 N N -1.047 117.642 118.700 -0.017 0.000 2.657 447 N HA 0.130 4.857 4.740 -0.021 0.000 0.234 447 N C 0.755 176.241 175.510 -0.040 0.000 1.433 447 N CA 0.354 53.392 53.050 -0.020 0.000 1.078 447 N CB 0.082 38.560 38.487 -0.015 0.000 1.508 447 N HN 0.220 nan 8.380 nan 0.000 0.547 448 G N 0.989 109.756 108.800 -0.055 0.000 2.779 448 G HA2 -0.349 3.599 3.960 -0.021 0.000 0.230 448 G HA3 -0.349 3.599 3.960 -0.021 0.000 0.230 448 G C 0.245 175.046 174.900 -0.164 0.000 1.243 448 G CA 0.564 45.598 45.100 -0.110 0.000 0.769 448 G HN 0.622 nan 8.290 nan 0.000 0.516 449 S N 1.910 117.534 115.700 -0.126 0.000 2.946 449 S HA 0.490 4.948 4.470 -0.021 0.000 0.349 449 S C 0.568 175.069 174.600 -0.165 0.000 1.189 449 S CA 1.151 59.263 58.200 -0.146 0.000 1.285 449 S CB -0.495 62.646 63.200 -0.099 0.000 1.010 449 S HN 1.810 nan 8.310 nan 0.000 0.538 450 A N 4.183 126.860 122.820 -0.238 0.000 2.387 450 A HA 0.671 4.978 4.320 -0.021 0.000 0.303 450 A C -0.549 176.899 177.584 -0.227 0.000 1.145 450 A CA -0.831 51.064 52.037 -0.236 0.000 0.801 450 A CB 1.110 19.909 19.000 -0.335 0.000 1.342 450 A HN 0.732 nan 8.150 nan 0.000 0.440 451 D N 0.880 121.174 120.400 -0.177 0.000 2.217 451 D HA 0.484 5.111 4.640 -0.021 0.000 0.243 451 D C -0.787 175.432 176.300 -0.136 0.000 1.054 451 D CA -0.131 53.784 54.000 -0.143 0.000 0.838 451 D CB 1.173 41.918 40.800 -0.092 0.000 1.162 451 D HN 0.482 nan 8.370 nan 0.000 0.472 452 I N 0.077 120.572 120.570 -0.125 0.000 2.693 452 I HA 0.628 4.786 4.170 -0.021 0.000 0.303 452 I C -0.829 175.264 176.117 -0.040 0.000 1.025 452 I CA -0.885 60.367 61.300 -0.079 0.000 1.086 452 I CB 1.230 39.190 38.000 -0.066 0.000 1.268 452 I HN 0.282 nan 8.210 nan 0.000 0.440 453 S N 5.154 120.844 115.700 -0.017 0.000 2.609 453 S HA 0.590 5.048 4.470 -0.021 0.000 0.250 453 S C -1.654 172.951 174.600 0.009 0.000 1.112 453 S CA -0.428 57.771 58.200 -0.002 0.000 1.102 453 S CB 0.530 63.726 63.200 -0.006 0.000 1.124 453 S HN 0.694 nan 8.310 nan 0.000 0.460 454 L N 5.269 126.504 121.223 0.019 0.000 2.415 454 L HA 0.869 5.196 4.340 -0.021 0.000 0.268 454 L C 0.150 177.040 176.870 0.033 0.000 0.984 454 L CA 0.128 54.984 54.840 0.026 0.000 0.853 454 L CB 1.281 43.359 42.059 0.033 0.000 1.215 454 L HN 0.659 nan 8.230 nan 0.000 0.419 455 G N 1.525 110.341 108.800 0.026 0.000 2.425 455 G HA2 0.354 4.301 3.960 -0.021 0.000 0.302 455 G HA3 0.354 4.301 3.960 -0.021 0.000 0.302 455 G C 0.683 175.599 174.900 0.027 0.000 1.159 455 G CA 0.208 45.323 45.100 0.025 0.000 0.865 455 G HN 0.757 nan 8.290 nan 0.000 0.515 456 S N 1.576 117.292 115.700 0.027 0.000 2.365 456 S HA -0.203 4.254 4.470 -0.021 0.000 0.221 456 S C 2.696 177.307 174.600 0.019 0.000 1.037 456 S CA 2.299 60.514 58.200 0.025 0.000 1.060 456 S CB -0.633 62.579 63.200 0.020 0.000 0.974 456 S HN 1.176 nan 8.310 nan 0.000 0.427 457 A N 1.460 124.288 122.820 0.013 0.000 2.131 457 A HA 0.005 4.312 4.320 -0.021 0.000 0.220 457 A C 1.097 178.685 177.584 0.006 0.000 1.158 457 A CA 0.820 52.862 52.037 0.008 0.000 0.665 457 A CB -0.692 18.311 19.000 0.006 0.000 0.795 457 A HN 0.779 nan 8.150 nan 0.000 0.460 458 E N -0.231 119.975 120.200 0.009 0.000 2.468 458 E HA -0.052 4.285 4.350 -0.021 0.000 0.263 458 E C 0.180 176.779 176.600 -0.001 0.000 1.192 458 E CA 0.204 56.607 56.400 0.005 0.000 1.016 458 E CB 0.147 29.853 29.700 0.010 0.000 0.980 458 E HN 0.319 nan 8.360 nan 0.000 0.467 459 D N 0.390 120.783 120.400 -0.011 0.000 2.144 459 D HA -0.068 4.559 4.640 -0.021 0.000 0.199 459 D C -0.162 176.126 176.300 -0.020 0.000 0.984 459 D CA 1.435 55.420 54.000 -0.026 0.000 0.834 459 D CB 0.152 40.926 40.800 -0.044 0.000 0.955 459 D HN 0.310 nan 8.370 nan 0.000 0.465 460 D N -1.814 118.582 120.400 -0.006 0.000 2.579 460 D HA 0.445 5.072 4.640 -0.021 0.000 0.257 460 D C -0.081 176.244 176.300 0.041 0.000 1.176 460 D CA -0.776 53.230 54.000 0.010 0.000 0.914 460 D CB 1.534 42.331 40.800 -0.006 0.000 1.431 460 D HN -0.029 nan 8.370 nan 0.000 0.454 461 G N -0.070 108.775 108.800 0.076 0.000 3.428 461 G HA2 0.502 4.449 3.960 -0.021 0.000 0.344 461 G HA3 0.502 4.449 3.960 -0.021 0.000 0.344 461 G C -0.664 174.371 174.900 0.225 0.000 1.256 461 G CA -0.474 44.706 45.100 0.133 0.000 1.209 461 G HN 0.317 nan 8.290 nan 0.000 0.470 462 V N 2.332 122.329 119.914 0.138 0.000 2.934 462 V HA 0.558 4.665 4.120 -0.021 0.000 0.256 462 V C -2.196 173.862 176.094 -0.060 0.000 1.791 462 V CA -0.847 61.508 62.300 0.090 0.000 0.927 462 V CB 1.963 33.906 31.823 0.199 0.000 1.354 462 V HN 1.000 nan 8.190 nan 0.000 0.455 463 L N 5.769 126.873 121.223 -0.198 0.000 2.528 463 L HA 1.032 5.359 4.340 -0.021 0.000 0.267 463 L C -0.566 176.151 176.870 -0.254 0.000 0.961 463 L CA 0.539 55.292 54.840 -0.145 0.000 0.866 463 L CB 1.521 43.554 42.059 -0.043 0.000 1.248 463 L HN 1.314 nan 8.230 nan 0.000 0.404 464 A N 5.778 128.498 122.820 -0.167 0.000 2.337 464 A HA 0.957 5.265 4.320 -0.021 0.000 0.329 464 A C -0.756 176.902 177.584 0.124 0.000 1.146 464 A CA -0.412 51.546 52.037 -0.132 0.000 0.800 464 A CB 1.108 19.919 19.000 -0.316 0.000 1.220 464 A HN 1.243 nan 8.150 nan 0.000 0.472 465 I N -0.255 120.487 120.570 0.287 0.000 2.722 465 I HA 0.752 4.910 4.170 -0.021 0.000 0.292 465 I C -0.938 175.352 176.117 0.287 0.000 1.267 465 I CA -0.667 60.801 61.300 0.280 0.000 1.036 465 I CB 2.064 40.139 38.000 0.126 0.000 1.281 465 I HN 0.980 nan 8.210 nan 0.000 0.423 466 H N 2.332 121.478 119.070 0.127 0.000 3.046 466 H HA 0.376 4.919 4.556 -0.021 0.000 0.361 466 H C 0.053 175.459 175.328 0.131 0.000 1.235 466 H CA -1.035 55.007 56.048 -0.011 0.000 1.146 466 H CB 2.018 31.575 29.762 -0.341 0.000 1.859 466 H HN 0.452 nan 8.280 nan 0.000 0.548 467 V N 1.713 121.671 119.914 0.074 0.000 2.428 467 V HA -0.328 3.780 4.120 -0.021 0.000 0.255 467 V C 0.576 176.551 176.094 -0.197 0.000 1.080 467 V CA 2.629 64.918 62.300 -0.019 0.000 1.083 467 V CB -0.972 30.831 31.823 -0.033 0.000 0.665 467 V HN 0.789 nan 8.190 nan 0.000 0.461 468 N N 0.162 118.569 118.700 -0.488 0.000 2.413 468 N HA 0.374 5.101 4.740 -0.021 0.000 0.207 468 N C 0.441 175.732 175.510 -0.364 0.000 1.206 468 N CA 0.802 53.565 53.050 -0.479 0.000 0.832 468 N CB 0.386 38.545 38.487 -0.546 0.000 1.037 468 N HN 0.619 nan 8.380 nan 0.000 0.467 469 A N -0.854 121.863 122.820 -0.172 0.000 2.704 469 A HA 0.154 4.461 4.320 -0.021 0.000 0.260 469 A C 0.392 177.988 177.584 0.020 0.000 1.144 469 A CA -0.364 51.714 52.037 0.068 0.000 0.985 469 A CB 0.285 19.500 19.000 0.359 0.000 1.256 469 A HN 0.062 nan 8.150 nan 0.000 0.598 470 K N 1.583 121.923 120.400 -0.101 0.000 2.339 470 K HA 0.483 4.790 4.320 -0.021 0.000 0.286 470 K C 0.054 176.548 176.600 -0.176 0.000 1.050 470 K CA -0.245 55.881 56.287 -0.269 0.000 0.956 470 K CB 0.370 32.662 32.500 -0.347 0.000 0.990 470 K HN 0.571 nan 8.250 nan 0.000 0.475 471 L N 0.000 121.120 121.223 -0.171 0.000 2.949 471 L HA 0.000 4.327 4.340 -0.021 0.000 0.249 471 L CA 0.000 54.777 54.840 -0.106 0.000 0.813 471 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 471 L HN 0.000 nan 8.230 nan 0.000 0.502