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 1m4t_1_C DATA FIRST_RESID 3 DATA SEQUENCE PSIVIASAAR TAVGSFNGAF ANTPAHELGA TVISAVLERA GVAAGEVNEV DATA SEQUENCE ILGQVLPAGE GQNPARQAAM KAGVPQEATA WGMNQLXGSG LRAVALGMQQ DATA SEQUENCE IATGDASIIV AGGMESMSMA PHCAHLRGGV KMGDFKMIDT MIKDGLTDAF DATA SEQUENCE YGYHMGTTAE NVAKQWQLSR DEQDAFAVAS QNKAEAAQKD GRFKDEIVPF DATA SEQUENCE IVKGRKGDIT VDADEYIRHG ATLDSMAKLR PAFDKEGTVT AGNASGLNDG DATA SEQUENCE AAAALLMSEA EASRRGIQPL GRIVSWATVG VDPKVMGTGP IPASRKALER DATA SEQUENCE AGWKIGDLDL VEANEAFAAQ ACAVNKDLGW DPSIVNVNGG AIAIGHPIGA DATA SEQUENCE SGARILNTLL FEMKRRGARK GLATLCIGGG MGVAMCIESL 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.316 177.300 0.027 0.000 1.155 3 P CA 0.000 63.115 63.100 0.025 0.000 0.800 3 P CB 0.000 31.718 31.700 0.029 0.000 0.726 4 S N 1.868 117.583 115.700 0.026 0.000 2.647 4 S HA 0.762 5.232 4.470 0.001 0.000 0.300 4 S C -0.988 173.628 174.600 0.025 0.000 1.129 4 S CA -0.605 57.611 58.200 0.027 0.000 1.029 4 S CB 0.240 63.456 63.200 0.026 0.000 1.007 4 S HN 0.310 nan 8.310 nan 0.000 0.484 5 I N 5.370 125.956 120.570 0.027 0.000 2.474 5 I HA 0.516 4.686 4.170 0.001 0.000 0.294 5 I C 0.195 176.324 176.117 0.020 0.000 1.005 5 I CA -1.040 60.273 61.300 0.022 0.000 1.113 5 I CB 1.433 39.446 38.000 0.023 0.000 1.289 5 I HN 0.541 nan 8.210 nan 0.000 0.436 6 V N 3.689 123.610 119.914 0.012 0.000 2.881 6 V HA 0.636 4.756 4.120 0.001 0.000 0.316 6 V C -0.063 176.029 176.094 -0.003 0.000 1.070 6 V CA -0.860 61.444 62.300 0.006 0.000 0.976 6 V CB 2.144 33.969 31.823 0.004 0.000 1.038 6 V HN 0.475 nan 8.190 nan 0.000 0.446 7 I N 3.284 123.847 120.570 -0.012 0.000 2.294 7 I HA 0.377 4.548 4.170 0.001 0.000 0.295 7 I C 1.560 177.656 176.117 -0.035 0.000 1.098 7 I CA 0.126 61.411 61.300 -0.024 0.000 1.277 7 I CB 1.218 39.198 38.000 -0.034 0.000 1.434 7 I HN 0.899 nan 8.210 nan 0.000 0.498 8 A N 4.827 127.633 122.820 -0.024 0.000 2.015 8 A HA -0.003 4.317 4.320 0.001 0.000 0.219 8 A C 0.935 178.500 177.584 -0.032 0.000 1.163 8 A CA 1.310 53.334 52.037 -0.023 0.000 0.646 8 A CB -0.218 18.777 19.000 -0.008 0.000 0.806 8 A HN 0.720 nan 8.150 nan 0.000 0.448 9 S N -3.922 111.759 115.700 -0.032 0.000 2.595 9 S HA 0.727 5.197 4.470 0.001 0.000 0.270 9 S C -0.744 173.861 174.600 0.008 0.000 1.145 9 S CA -0.278 57.913 58.200 -0.015 0.000 0.825 9 S CB 1.040 64.257 63.200 0.029 0.000 1.107 9 S HN 1.665 nan 8.310 nan 0.000 0.461 10 A N 0.028 122.901 122.820 0.089 0.000 2.606 10 A HA 1.046 5.367 4.320 0.001 0.000 0.293 10 A C -0.919 176.863 177.584 0.330 0.000 1.082 10 A CA -0.468 51.676 52.037 0.179 0.000 0.685 10 A CB 1.072 20.161 19.000 0.148 0.000 1.284 10 A HN 2.445 nan 8.150 nan 0.000 0.408 11 A N 0.693 123.643 122.820 0.218 0.000 2.582 11 A HA 0.835 5.156 4.320 0.001 0.000 0.297 11 A C -0.764 176.869 177.584 0.082 0.000 1.059 11 A CA -0.187 51.933 52.037 0.138 0.000 0.705 11 A CB 1.187 20.245 19.000 0.097 0.000 1.279 11 A HN 1.957 nan 8.150 nan 0.000 0.404 12 R N -0.064 120.462 120.500 0.045 0.000 2.740 12 R HA 0.790 5.131 4.340 0.001 0.000 0.273 12 R C -0.113 176.202 176.300 0.025 0.000 0.998 12 R CA -0.019 56.096 56.100 0.026 0.000 0.900 12 R CB 1.230 31.544 30.300 0.022 0.000 1.223 12 R HN 0.976 nan 8.270 nan 0.000 0.466 13 T N -0.286 114.280 114.554 0.020 0.000 2.802 13 T HA 0.439 4.789 4.350 0.001 0.000 0.305 13 T C 0.856 175.607 174.700 0.084 0.000 1.053 13 T CA -0.212 61.925 62.100 0.060 0.000 1.058 13 T CB 0.760 69.603 68.868 -0.041 0.000 0.988 13 T HN 0.786 nan 8.240 nan 0.000 0.539 14 A N 1.245 124.154 122.820 0.148 0.000 2.492 14 A HA 0.466 4.787 4.320 0.001 0.000 0.236 14 A C 0.330 177.994 177.584 0.134 0.000 1.078 14 A CA -0.645 51.447 52.037 0.092 0.000 0.773 14 A CB -0.165 18.880 19.000 0.075 0.000 1.023 14 A HN 0.891 nan 8.150 nan 0.000 0.504 15 V N 2.081 122.002 119.914 0.012 0.000 2.364 15 V HA 0.475 4.596 4.120 0.001 0.000 0.272 15 V C 1.132 177.180 176.094 -0.078 0.000 1.036 15 V CA 0.099 62.406 62.300 0.013 0.000 0.880 15 V CB 0.686 32.486 31.823 -0.039 0.000 0.991 15 V HN 1.113 nan 8.190 nan 0.000 0.460 16 G N 3.650 112.371 108.800 -0.131 0.000 2.476 16 G HA2 0.429 4.390 3.960 0.001 0.000 0.269 16 G HA3 0.429 4.390 3.960 0.001 0.000 0.269 16 G C 0.014 174.842 174.900 -0.119 0.000 1.195 16 G CA -0.263 44.643 45.100 -0.323 0.000 0.843 16 G HN 0.649 nan 8.290 nan 0.000 0.545 17 S N -0.062 115.590 115.700 -0.079 0.000 2.632 17 S HA 0.351 4.822 4.470 0.001 0.000 0.271 17 S C -0.196 174.456 174.600 0.086 0.000 1.260 17 S CA -0.487 57.727 58.200 0.024 0.000 1.010 17 S CB 1.058 64.347 63.200 0.149 0.000 0.965 17 S HN 0.434 nan 8.310 nan 0.000 0.534 18 F N 3.486 123.399 119.950 -0.062 0.000 2.612 18 F HA -0.019 4.509 4.527 0.001 0.000 0.389 18 F C 1.024 176.820 175.800 -0.006 0.000 1.055 18 F CA -0.121 57.859 58.000 -0.033 0.000 1.232 18 F CB -0.785 38.204 39.000 -0.019 0.000 1.044 18 F HN 0.618 nan 8.300 nan 0.000 0.560 19 N N 2.860 121.374 118.700 -0.310 0.000 2.727 19 N HA -0.203 4.537 4.740 0.001 0.000 0.249 19 N C 0.285 175.720 175.510 -0.124 0.000 1.048 19 N CA 0.965 53.837 53.050 -0.296 0.000 0.714 19 N CB -1.234 36.981 38.487 -0.455 0.000 0.959 19 N HN 0.838 nan 8.380 nan 0.000 0.544 20 G N -0.522 108.236 108.800 -0.070 0.000 3.414 20 G HA2 0.618 4.578 3.960 0.001 0.000 0.189 20 G HA3 0.618 4.578 3.960 0.001 0.000 0.189 20 G C 1.050 175.902 174.900 -0.081 0.000 1.329 20 G CA 0.334 45.394 45.100 -0.066 0.000 0.851 20 G HN 0.286 nan 8.290 nan 0.000 0.671 21 A N -0.559 122.159 122.820 -0.170 0.000 1.948 21 A HA 0.052 4.372 4.320 0.001 0.000 0.220 21 A C 1.698 179.255 177.584 -0.044 0.000 1.177 21 A CA 1.704 53.620 52.037 -0.203 0.000 0.636 21 A CB -0.520 18.218 19.000 -0.438 0.000 0.815 21 A HN 0.347 nan 8.150 nan 0.000 0.449 22 F N -0.869 119.061 119.950 -0.033 0.000 2.641 22 F HA 0.458 4.985 4.527 0.001 0.000 0.302 22 F C 2.157 177.920 175.800 -0.061 0.000 1.098 22 F CA -0.820 57.139 58.000 -0.069 0.000 1.318 22 F CB -1.033 37.882 39.000 -0.143 0.000 1.035 22 F HN 0.239 nan 8.300 nan 0.000 0.551 23 A N 0.497 123.371 122.820 0.091 0.000 1.971 23 A HA -0.249 4.071 4.320 0.001 0.000 0.222 23 A C 1.903 179.496 177.584 0.014 0.000 1.182 23 A CA 2.107 54.151 52.037 0.011 0.000 0.649 23 A CB -0.461 18.513 19.000 -0.043 0.000 0.818 23 A HN 0.365 nan 8.150 nan 0.000 0.458 24 N N -0.813 117.910 118.700 0.038 0.000 2.282 24 N HA 0.077 4.818 4.740 0.001 0.000 0.240 24 N C -0.883 174.641 175.510 0.024 0.000 1.182 24 N CA 0.150 53.215 53.050 0.025 0.000 0.874 24 N CB 0.727 39.228 38.487 0.024 0.000 1.126 24 N HN 0.239 nan 8.380 nan 0.000 0.516 25 T N 2.756 117.320 114.554 0.017 0.000 2.753 25 T HA 0.326 4.676 4.350 0.001 0.000 0.297 25 T C -2.482 172.146 174.700 -0.119 0.000 0.981 25 T CA -1.284 60.787 62.100 -0.049 0.000 0.956 25 T CB 1.907 70.712 68.868 -0.105 0.000 0.936 25 T HN -0.019 nan 8.240 nan 0.000 0.463 26 P HA 0.108 nan 4.420 nan 0.000 0.266 26 P C 0.604 177.767 177.300 -0.228 0.000 1.193 26 P CA -0.126 62.888 63.100 -0.144 0.000 0.770 26 P CB 0.498 32.093 31.700 -0.176 0.000 0.836 27 A N 3.234 125.980 122.820 -0.123 0.000 1.940 27 A HA -0.236 4.085 4.320 0.001 0.000 0.219 27 A C 1.943 179.447 177.584 -0.134 0.000 1.176 27 A CA 1.752 53.710 52.037 -0.131 0.000 0.631 27 A CB -1.631 17.337 19.000 -0.053 0.000 0.814 27 A HN 0.810 nan 8.150 nan 0.000 0.446 28 H N -0.784 118.245 119.070 -0.069 0.000 2.491 28 H HA -0.003 4.553 4.556 0.001 0.000 0.290 28 H C 1.433 176.743 175.328 -0.030 0.000 1.050 28 H CA 1.241 57.261 56.048 -0.047 0.000 1.309 28 H CB -0.334 29.413 29.762 -0.024 0.000 1.392 28 H HN 0.617 nan 8.280 nan 0.000 0.554 29 E N 1.260 121.146 120.200 -0.525 0.000 2.051 29 E HA -0.100 4.251 4.350 0.001 0.000 0.192 29 E C 2.620 179.197 176.600 -0.039 0.000 0.991 29 E CA 1.077 57.344 56.400 -0.221 0.000 0.799 29 E CB -0.009 29.598 29.700 -0.154 0.000 0.748 29 E HN 0.469 nan 8.360 nan 0.000 0.449 30 L N 0.568 121.579 121.223 -0.352 0.000 2.083 30 L HA -0.103 4.237 4.340 0.001 0.000 0.209 30 L C 2.597 179.363 176.870 -0.173 0.000 1.083 30 L CA 1.180 55.714 54.840 -0.510 0.000 0.752 30 L CB -0.735 40.893 42.059 -0.719 0.000 0.899 30 L HN 0.207 nan 8.230 nan 0.000 0.433 31 G N -0.304 108.433 108.800 -0.105 0.000 2.402 31 G HA2 -0.191 3.770 3.960 0.001 0.000 0.216 31 G HA3 -0.191 3.770 3.960 0.001 0.000 0.216 31 G C 1.812 176.720 174.900 0.012 0.000 1.162 31 G CA 0.712 45.790 45.100 -0.037 0.000 0.777 31 G HN 0.437 nan 8.290 nan 0.000 0.539 32 A N 0.362 123.211 122.820 0.047 0.000 1.940 32 A HA -0.040 4.281 4.320 0.001 0.000 0.219 32 A C 2.522 180.141 177.584 0.059 0.000 1.176 32 A CA 2.510 54.585 52.037 0.063 0.000 0.631 32 A CB -0.912 18.142 19.000 0.090 0.000 0.814 32 A HN 0.310 nan 8.150 nan 0.000 0.446 33 T N -0.607 114.005 114.554 0.097 0.000 2.701 33 T HA -0.103 4.247 4.350 0.001 0.000 0.263 33 T C 1.858 176.598 174.700 0.067 0.000 1.040 33 T CA 1.495 63.653 62.100 0.097 0.000 1.147 33 T CB -0.458 68.548 68.868 0.232 0.000 0.865 33 T HN 0.130 nan 8.240 nan 0.000 0.426 34 V N 1.251 121.198 119.914 0.054 0.000 2.490 34 V HA -0.128 3.993 4.120 0.001 0.000 0.250 34 V C 2.331 178.441 176.094 0.026 0.000 1.061 34 V CA 1.351 63.671 62.300 0.033 0.000 1.064 34 V CB -0.575 31.252 31.823 0.006 0.000 0.670 34 V HN 0.471 nan 8.190 nan 0.000 0.461 35 I N -0.590 119.991 120.570 0.019 0.000 2.202 35 I HA -0.202 3.968 4.170 0.001 0.000 0.242 35 I C 2.532 178.661 176.117 0.019 0.000 1.091 35 I CA 1.550 62.858 61.300 0.013 0.000 1.368 35 I CB -0.350 37.655 38.000 0.008 0.000 1.058 35 I HN 0.209 nan 8.210 nan 0.000 0.410 36 S N 0.392 116.106 115.700 0.023 0.000 2.419 36 S HA -0.111 4.359 4.470 0.001 0.000 0.233 36 S C 2.108 176.723 174.600 0.026 0.000 1.016 36 S CA 1.222 59.435 58.200 0.021 0.000 0.974 36 S CB -0.192 63.018 63.200 0.017 0.000 0.786 36 S HN 0.532 nan 8.310 nan 0.000 0.492 37 A N 1.200 124.041 122.820 0.034 0.000 1.898 37 A HA 0.007 4.328 4.320 0.001 0.000 0.214 37 A C 2.384 179.999 177.584 0.051 0.000 1.183 37 A CA 1.346 53.409 52.037 0.042 0.000 0.622 37 A CB -0.918 18.111 19.000 0.049 0.000 0.824 37 A HN 0.492 nan 8.150 nan 0.000 0.444 38 V N -1.357 118.587 119.914 0.050 0.000 2.407 38 V HA -0.225 3.895 4.120 0.001 0.000 0.248 38 V C 2.291 178.408 176.094 0.038 0.000 1.055 38 V CA 1.926 64.257 62.300 0.052 0.000 1.049 38 V CB -1.164 30.682 31.823 0.040 0.000 0.662 38 V HN 0.430 nan 8.190 nan 0.000 0.455 39 L N 0.565 121.805 121.223 0.028 0.000 1.976 39 L HA -0.155 4.186 4.340 0.001 0.000 0.209 39 L C 3.052 179.937 176.870 0.025 0.000 1.071 39 L CA 2.432 57.286 54.840 0.022 0.000 0.746 39 L CB -0.904 41.166 42.059 0.017 0.000 0.890 39 L HN 0.473 nan 8.230 nan 0.000 0.432 40 E N 0.901 121.117 120.200 0.028 0.000 2.153 40 E HA -0.244 4.107 4.350 0.001 0.000 0.194 40 E C 2.211 178.832 176.600 0.035 0.000 0.988 40 E CA 1.341 57.757 56.400 0.027 0.000 0.811 40 E CB 0.057 29.772 29.700 0.025 0.000 0.746 40 E HN 0.420 nan 8.360 nan 0.000 0.466 41 R N -0.044 120.485 120.500 0.047 0.000 2.062 41 R HA 0.051 4.392 4.340 0.001 0.000 0.229 41 R C 2.446 178.774 176.300 0.047 0.000 1.128 41 R CA 1.331 57.468 56.100 0.062 0.000 0.960 41 R CB -0.250 30.109 30.300 0.098 0.000 0.855 41 R HN 0.193 nan 8.270 nan 0.000 0.432 42 A N -0.205 122.636 122.820 0.036 0.000 2.167 42 A HA 0.154 4.474 4.320 0.001 0.000 0.214 42 A C 1.330 178.926 177.584 0.019 0.000 1.151 42 A CA 0.893 52.944 52.037 0.023 0.000 0.735 42 A CB -0.252 18.757 19.000 0.016 0.000 0.802 42 A HN 0.477 nan 8.150 nan 0.000 0.467 43 G N -1.384 107.428 108.800 0.021 0.000 2.160 43 G HA2 -0.150 3.810 3.960 0.001 0.000 0.244 43 G HA3 -0.150 3.810 3.960 0.001 0.000 0.244 43 G C -0.004 174.904 174.900 0.014 0.000 1.022 43 G CA 0.201 45.311 45.100 0.017 0.000 0.741 43 G HN 0.797 nan 8.290 nan 0.000 0.508 44 V N 0.369 120.291 119.914 0.015 0.000 2.547 44 V HA 0.810 4.930 4.120 0.001 0.000 0.299 44 V C 0.882 176.984 176.094 0.012 0.000 1.040 44 V CA -0.266 62.041 62.300 0.013 0.000 0.913 44 V CB 1.678 33.508 31.823 0.012 0.000 0.992 44 V HN 1.076 nan 8.190 nan 0.000 0.449 45 A N 3.340 126.167 122.820 0.011 0.000 2.322 45 A HA 0.685 5.006 4.320 0.001 0.000 0.269 45 A C 1.418 179.008 177.584 0.010 0.000 1.094 45 A CA 0.289 52.332 52.037 0.010 0.000 0.807 45 A CB 0.737 19.742 19.000 0.009 0.000 1.047 45 A HN 1.291 nan 8.150 nan 0.000 0.487 46 A N 1.709 124.535 122.820 0.010 0.000 1.940 46 A HA 0.057 4.377 4.320 0.001 0.000 0.219 46 A C 2.109 179.699 177.584 0.010 0.000 1.176 46 A CA 2.155 54.199 52.037 0.010 0.000 0.631 46 A CB -1.133 17.873 19.000 0.010 0.000 0.814 46 A HN 1.468 nan 8.150 nan 0.000 0.446 47 G N -0.517 108.289 108.800 0.010 0.000 2.498 47 G HA2 -0.128 3.832 3.960 0.001 0.000 0.219 47 G HA3 -0.128 3.832 3.960 0.001 0.000 0.219 47 G C 1.187 176.094 174.900 0.011 0.000 1.119 47 G CA 0.827 45.933 45.100 0.010 0.000 0.766 47 G HN 0.717 nan 8.290 nan 0.000 0.552 48 E N -0.215 119.991 120.200 0.011 0.000 2.479 48 E HA 0.109 4.459 4.350 0.001 0.000 0.193 48 E C 0.064 176.672 176.600 0.013 0.000 1.049 48 E CA -0.335 56.072 56.400 0.012 0.000 0.870 48 E CB 0.700 30.407 29.700 0.011 0.000 0.944 48 E HN 0.179 nan 8.360 nan 0.000 0.492 49 V N 2.822 122.744 119.914 0.013 0.000 2.479 49 V HA -0.038 4.083 4.120 0.001 0.000 0.281 49 V C 0.856 176.962 176.094 0.020 0.000 1.031 49 V CA 0.298 62.606 62.300 0.014 0.000 1.038 49 V CB 0.679 32.509 31.823 0.011 0.000 0.981 49 V HN 0.216 nan 8.190 nan 0.000 0.478 50 N N 3.435 122.150 118.700 0.025 0.000 2.216 50 N HA -0.000 4.740 4.740 0.001 0.000 0.183 50 N C 0.476 176.016 175.510 0.050 0.000 1.017 50 N CA 0.639 53.709 53.050 0.034 0.000 0.861 50 N CB 0.368 38.877 38.487 0.037 0.000 0.986 50 N HN 0.826 nan 8.380 nan 0.000 0.428 51 E N -0.484 119.746 120.200 0.050 0.000 2.380 51 E HA 0.316 4.666 4.350 0.001 0.000 0.281 51 E C -2.005 174.606 176.600 0.018 0.000 0.999 51 E CA -0.511 55.933 56.400 0.073 0.000 0.800 51 E CB 1.720 31.509 29.700 0.149 0.000 1.228 51 E HN -0.274 nan 8.360 nan 0.000 0.436 52 V N 5.099 125.006 119.914 -0.012 0.000 2.378 52 V HA 0.453 4.573 4.120 0.001 0.000 0.288 52 V C -0.282 175.650 176.094 -0.268 0.000 1.016 52 V CA -0.455 61.786 62.300 -0.098 0.000 0.840 52 V CB 1.104 32.889 31.823 -0.063 0.000 0.994 52 V HN 0.539 nan 8.190 nan 0.000 0.431 53 I N 6.374 126.711 120.570 -0.389 0.000 2.354 53 I HA 0.521 4.692 4.170 0.001 0.000 0.292 53 I C -0.703 175.144 176.117 -0.450 0.000 0.989 53 I CA -0.454 60.409 61.300 -0.728 0.000 1.188 53 I CB 1.627 39.126 38.000 -0.834 0.000 1.342 53 I HN 0.339 nan 8.210 nan 0.000 0.457 54 L N 5.398 126.371 121.223 -0.417 0.000 2.404 54 L HA 0.500 4.840 4.340 0.001 0.000 0.272 54 L C 0.455 177.201 176.870 -0.207 0.000 0.980 54 L CA -0.577 54.117 54.840 -0.243 0.000 0.836 54 L CB 1.993 43.960 42.059 -0.153 0.000 1.238 54 L HN 0.701 nan 8.230 nan 0.000 0.408 55 G N 2.277 110.976 108.800 -0.169 0.000 2.340 55 G HA2 0.330 4.291 3.960 0.001 0.000 0.245 55 G HA3 0.330 4.291 3.960 0.001 0.000 0.245 55 G C -0.677 174.175 174.900 -0.081 0.000 1.294 55 G CA 0.140 45.171 45.100 -0.114 0.000 0.896 55 G HN 0.635 nan 8.290 nan 0.000 0.522 56 Q N 1.772 121.537 119.800 -0.058 0.000 2.364 56 Q HA 0.272 4.613 4.340 0.001 0.000 0.257 56 Q C -0.461 175.521 176.000 -0.029 0.000 0.956 56 Q CA -0.753 55.025 55.803 -0.042 0.000 0.924 56 Q CB 1.868 30.585 28.738 -0.034 0.000 1.413 56 Q HN 0.288 nan 8.270 nan 0.000 0.418 57 V N 3.879 123.772 119.914 -0.035 0.000 2.825 57 V HA 0.121 4.241 4.120 0.001 0.000 0.246 57 V C 0.428 176.507 176.094 -0.026 0.000 1.068 57 V CA 0.757 63.038 62.300 -0.033 0.000 1.088 57 V CB 0.291 32.083 31.823 -0.051 0.000 0.733 57 V HN 0.654 nan 8.190 nan 0.000 0.468 58 L N 2.179 123.389 121.223 -0.022 0.000 2.488 58 L HA 0.366 4.706 4.340 0.001 0.000 0.250 58 L C -2.060 174.810 176.870 0.000 0.000 1.280 58 L CA -0.653 54.179 54.840 -0.013 0.000 0.929 58 L CB 1.597 43.647 42.059 -0.016 0.000 1.200 58 L HN 0.089 nan 8.230 nan 0.000 0.495 59 P HA 0.129 nan 4.420 nan 0.000 0.268 59 P C 0.505 177.817 177.300 0.021 0.000 1.329 59 P CA -0.054 63.055 63.100 0.015 0.000 0.899 59 P CB 0.602 32.311 31.700 0.014 0.000 1.378 60 A N 0.836 123.667 122.820 0.019 0.000 2.537 60 A HA 0.416 4.737 4.320 0.001 0.000 0.260 60 A C 1.547 179.150 177.584 0.032 0.000 1.082 60 A CA 0.877 52.928 52.037 0.024 0.000 0.765 60 A CB -1.259 17.754 19.000 0.022 0.000 1.019 60 A HN 0.396 nan 8.150 nan 0.000 0.507 61 G N 1.808 110.628 108.800 0.033 0.000 2.194 61 G HA2 -0.256 3.705 3.960 0.001 0.000 0.236 61 G HA3 -0.256 3.705 3.960 0.001 0.000 0.236 61 G C 0.741 175.665 174.900 0.040 0.000 0.987 61 G CA 0.630 45.752 45.100 0.037 0.000 0.635 61 G HN 0.828 nan 8.290 nan 0.000 0.520 62 E N 0.605 120.830 120.200 0.042 0.000 2.482 62 E HA 0.404 4.755 4.350 0.001 0.000 0.196 62 E C 1.432 178.048 176.600 0.027 0.000 1.047 62 E CA 1.179 57.613 56.400 0.056 0.000 0.869 62 E CB -0.197 29.549 29.700 0.077 0.000 0.836 62 E HN 1.780 nan 8.360 nan 0.000 0.520 63 G N 0.579 109.387 108.800 0.014 0.000 2.710 63 G HA2 -0.272 3.689 3.960 0.001 0.000 0.668 63 G HA3 -0.272 3.689 3.960 0.001 0.000 0.668 63 G C -0.894 173.999 174.900 -0.013 0.000 1.320 63 G CA -0.488 44.610 45.100 -0.003 0.000 0.860 63 G HN 0.248 nan 8.290 nan 0.000 0.538 64 Q N 0.296 120.087 119.800 -0.016 0.000 2.320 64 Q HA 0.096 4.436 4.340 0.001 0.000 0.311 64 Q C 1.056 177.043 176.000 -0.022 0.000 1.083 64 Q CA 1.037 56.832 55.803 -0.013 0.000 1.001 64 Q CB 0.040 28.770 28.738 -0.013 0.000 1.074 64 Q HN 1.004 nan 8.270 nan 0.000 0.379 65 N N 3.729 122.428 118.700 -0.003 0.000 2.620 65 N HA -0.167 4.574 4.740 0.001 0.000 0.293 65 N C -2.375 173.121 175.510 -0.023 0.000 1.178 65 N CA 0.042 53.096 53.050 0.007 0.000 0.750 65 N CB 0.055 38.559 38.487 0.029 0.000 0.949 65 N HN 0.366 nan 8.380 nan 0.000 0.555 66 P HA -0.014 nan 4.420 nan 0.000 0.231 66 P C 0.977 178.262 177.300 -0.025 0.000 1.158 66 P CA 1.349 64.421 63.100 -0.046 0.000 0.763 66 P CB 0.055 31.761 31.700 0.010 0.000 0.805 67 A N 0.214 123.023 122.820 -0.019 0.000 1.898 67 A HA -0.192 4.128 4.320 0.001 0.000 0.216 67 A C 2.408 179.979 177.584 -0.023 0.000 1.181 67 A CA 1.653 53.671 52.037 -0.032 0.000 0.620 67 A CB -0.934 18.035 19.000 -0.051 0.000 0.819 67 A HN 0.019 nan 8.150 nan 0.000 0.442 68 R N 0.106 120.598 120.500 -0.013 0.000 2.092 68 R HA -0.075 4.265 4.340 0.001 0.000 0.231 68 R C 2.199 178.472 176.300 -0.045 0.000 1.119 68 R CA 1.932 58.025 56.100 -0.013 0.000 0.970 68 R CB -0.584 29.716 30.300 -0.000 0.000 0.864 68 R HN 0.693 nan 8.270 nan 0.000 0.440 69 Q N -0.620 119.117 119.800 -0.105 0.000 2.084 69 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 69 Q C 2.086 178.042 176.000 -0.072 0.000 0.978 69 Q CA 1.656 57.338 55.803 -0.202 0.000 0.844 69 Q CB -0.208 28.195 28.738 -0.559 0.000 0.898 69 Q HN 0.447 nan 8.270 nan 0.000 0.426 70 A N 1.216 124.039 122.820 0.006 0.000 1.898 70 A HA -0.068 4.252 4.320 0.001 0.000 0.216 70 A C 2.320 179.931 177.584 0.046 0.000 1.181 70 A CA 1.512 53.603 52.037 0.090 0.000 0.620 70 A CB -0.741 18.301 19.000 0.069 0.000 0.819 70 A HN 0.383 nan 8.150 nan 0.000 0.442 71 A N -0.962 121.867 122.820 0.014 0.000 1.930 71 A HA -0.073 4.247 4.320 0.001 0.000 0.217 71 A C 2.204 179.796 177.584 0.014 0.000 1.175 71 A CA 1.846 53.888 52.037 0.009 0.000 0.627 71 A CB -0.442 18.559 19.000 0.001 0.000 0.815 71 A HN 0.428 nan 8.150 nan 0.000 0.443 72 M N -0.745 118.861 119.600 0.010 0.000 2.123 72 M HA -0.077 4.403 4.480 0.001 0.000 0.263 72 M C 2.116 178.428 176.300 0.020 0.000 1.069 72 M CA 1.842 57.148 55.300 0.009 0.000 1.133 72 M CB -0.975 31.622 32.600 -0.004 0.000 1.356 72 M HN 0.409 nan 8.290 nan 0.000 0.415 73 K N 1.152 121.574 120.400 0.037 0.000 2.103 73 K HA -0.062 4.259 4.320 0.001 0.000 0.207 73 K C 1.602 178.226 176.600 0.041 0.000 1.048 73 K CA 1.809 58.130 56.287 0.056 0.000 0.930 73 K CB -0.466 32.105 32.500 0.118 0.000 0.716 73 K HN 0.253 nan 8.250 nan 0.000 0.444 74 A N -0.878 121.965 122.820 0.038 0.000 2.238 74 A HA 0.303 4.623 4.320 0.001 0.000 0.208 74 A C 1.360 178.954 177.584 0.017 0.000 1.177 74 A CA 0.780 52.833 52.037 0.027 0.000 0.804 74 A CB -0.619 18.397 19.000 0.027 0.000 0.823 74 A HN 0.574 nan 8.150 nan 0.000 0.482 75 G N -1.601 107.209 108.800 0.016 0.000 2.157 75 G HA2 -0.202 3.758 3.960 0.001 0.000 0.239 75 G HA3 -0.202 3.758 3.960 0.001 0.000 0.239 75 G C 0.189 175.096 174.900 0.011 0.000 0.982 75 G CA 0.029 45.136 45.100 0.012 0.000 0.650 75 G HN 0.783 nan 8.290 nan 0.000 0.527 76 V N 2.921 122.843 119.914 0.012 0.000 2.655 76 V HA 0.371 4.491 4.120 0.001 0.000 0.300 76 V C -0.706 175.395 176.094 0.012 0.000 1.044 76 V CA -0.647 61.660 62.300 0.012 0.000 1.095 76 V CB 0.917 32.747 31.823 0.011 0.000 0.952 76 V HN 0.317 nan 8.190 nan 0.000 0.485 77 P HA 0.124 nan 4.420 nan 0.000 0.274 77 P C 0.524 177.831 177.300 0.012 0.000 1.237 77 P CA -0.504 62.602 63.100 0.011 0.000 0.793 77 P CB 0.579 32.285 31.700 0.011 0.000 0.977 78 Q N 0.773 120.579 119.800 0.010 0.000 2.308 78 Q HA -0.223 4.117 4.340 0.001 0.000 0.209 78 Q C 0.665 176.673 176.000 0.014 0.000 0.985 78 Q CA 1.823 57.633 55.803 0.011 0.000 0.881 78 Q CB -0.562 28.181 28.738 0.008 0.000 0.917 78 Q HN 0.406 nan 8.270 nan 0.000 0.443 79 E N 1.097 121.305 120.200 0.014 0.000 2.427 79 E HA 0.158 4.508 4.350 0.001 0.000 0.196 79 E C 0.345 176.957 176.600 0.020 0.000 1.028 79 E CA 0.663 57.072 56.400 0.015 0.000 0.864 79 E CB 0.202 29.910 29.700 0.012 0.000 0.813 79 E HN 0.520 nan 8.360 nan 0.000 0.514 80 A N 0.632 123.466 122.820 0.024 0.000 2.257 80 A HA 0.545 4.865 4.320 0.001 0.000 0.289 80 A C 0.513 178.124 177.584 0.045 0.000 1.095 80 A CA -0.348 51.709 52.037 0.033 0.000 0.836 80 A CB 0.401 19.419 19.000 0.030 0.000 1.111 80 A HN 0.162 nan 8.150 nan 0.000 0.497 81 T N -2.307 112.288 114.554 0.068 0.000 2.949 81 T HA 0.816 5.167 4.350 0.001 0.000 0.287 81 T C -0.397 174.385 174.700 0.136 0.000 1.034 81 T CA -0.130 62.031 62.100 0.101 0.000 1.018 81 T CB 1.717 70.655 68.868 0.116 0.000 1.135 81 T HN 2.009 nan 8.240 nan 0.000 0.532 82 A N 1.337 124.267 122.820 0.183 0.000 2.540 82 A HA 0.695 5.016 4.320 0.001 0.000 0.297 82 A C -1.541 176.208 177.584 0.274 0.000 1.056 82 A CA -1.103 51.027 52.037 0.155 0.000 0.700 82 A CB 1.205 20.233 19.000 0.046 0.000 1.280 82 A HN 1.032 nan 8.150 nan 0.000 0.398 83 W N 1.308 122.599 121.300 -0.016 0.000 3.075 83 W HA 0.790 5.450 4.660 0.001 0.000 0.334 83 W C -0.253 176.256 176.519 -0.018 0.000 1.243 83 W CA -1.000 56.335 57.345 -0.017 0.000 1.170 83 W CB 0.985 30.435 29.460 -0.017 0.000 1.452 83 W HN 1.213 nan 8.180 nan 0.000 0.572 84 G N 0.984 109.850 108.800 0.110 0.000 2.489 84 G HA2 0.809 4.770 3.960 0.001 0.000 0.327 84 G HA3 0.809 4.770 3.960 0.001 0.000 0.327 84 G C -1.150 173.815 174.900 0.109 0.000 1.189 84 G CA -0.983 44.100 45.100 -0.028 0.000 0.962 84 G HN 0.598 nan 8.290 nan 0.000 0.486 85 M N -0.705 118.898 119.600 0.004 0.000 2.755 85 M HA 0.681 5.161 4.480 0.001 0.000 0.273 85 M C -1.353 174.961 176.300 0.023 0.000 1.278 85 M CA -1.255 54.094 55.300 0.083 0.000 0.819 85 M CB 2.155 34.832 32.600 0.129 0.000 1.694 85 M HN 0.387 nan 8.290 nan 0.000 0.460 86 N N 0.491 119.215 118.700 0.040 0.000 2.629 86 N HA 0.275 5.015 4.740 0.001 0.000 0.277 86 N C -1.934 173.593 175.510 0.029 0.000 1.188 86 N CA -0.022 53.039 53.050 0.019 0.000 0.835 86 N CB 1.630 40.127 38.487 0.017 0.000 1.420 86 N HN 0.937 nan 8.380 nan 0.000 0.542 87 Q N 4.993 124.806 119.800 0.020 0.000 2.233 87 Q HA 0.389 4.729 4.340 0.001 0.000 0.340 87 Q C -0.274 175.741 176.000 0.025 0.000 0.899 87 Q CA -0.350 55.473 55.803 0.034 0.000 1.139 87 Q CB -0.010 28.755 28.738 0.044 0.000 1.273 87 Q HN 0.740 nan 8.270 nan 0.000 0.431 91 S N 1.016 116.715 115.700 -0.002 0.000 2.365 91 S HA -0.076 4.395 4.470 0.001 0.000 0.225 91 S C 2.475 177.040 174.600 -0.058 0.000 1.039 91 S CA 1.900 60.081 58.200 -0.031 0.000 1.033 91 S CB -0.560 62.618 63.200 -0.037 0.000 0.887 91 S HN 0.693 nan 8.310 nan 0.000 0.447 92 G N 1.022 109.795 108.800 -0.044 0.000 2.432 92 G HA2 -0.139 3.821 3.960 0.001 0.000 0.219 92 G HA3 -0.139 3.821 3.960 0.001 0.000 0.219 92 G C 1.383 176.249 174.900 -0.057 0.000 1.135 92 G CA 0.852 45.920 45.100 -0.053 0.000 0.767 92 G HN 0.427 nan 8.290 nan 0.000 0.550 93 L N -0.157 121.043 121.223 -0.039 0.000 2.249 93 L HA 0.372 4.713 4.340 0.001 0.000 0.207 93 L C 2.625 179.431 176.870 -0.106 0.000 1.090 93 L CA 1.161 55.974 54.840 -0.044 0.000 0.802 93 L CB -0.283 41.779 42.059 0.004 0.000 0.947 93 L HN 0.118 nan 8.230 nan 0.000 0.453 94 R N 0.525 120.957 120.500 -0.113 0.000 2.073 94 R HA -0.068 4.272 4.340 0.001 0.000 0.234 94 R C 2.201 178.356 176.300 -0.242 0.000 1.134 94 R CA 1.788 57.767 56.100 -0.203 0.000 0.952 94 R CB -0.991 29.233 30.300 -0.126 0.000 0.850 94 R HN 0.439 nan 8.270 nan 0.000 0.433 95 A N -0.282 122.423 122.820 -0.191 0.000 1.986 95 A HA -0.140 4.180 4.320 0.001 0.000 0.220 95 A C 2.298 179.753 177.584 -0.216 0.000 1.171 95 A CA 1.884 53.781 52.037 -0.233 0.000 0.640 95 A CB -0.686 18.155 19.000 -0.264 0.000 0.811 95 A HN 0.213 nan 8.150 nan 0.000 0.451 96 V N -0.442 119.361 119.914 -0.185 0.000 2.358 96 V HA -0.205 3.915 4.120 0.001 0.000 0.246 96 V C 3.033 179.006 176.094 -0.202 0.000 1.047 96 V CA 1.785 63.992 62.300 -0.155 0.000 1.035 96 V CB -1.220 30.539 31.823 -0.107 0.000 0.658 96 V HN 0.617 nan 8.190 nan 0.000 0.452 97 A N -0.196 122.425 122.820 -0.332 0.000 1.940 97 A HA -0.168 4.152 4.320 0.001 0.000 0.219 97 A C 2.219 179.547 177.584 -0.427 0.000 1.176 97 A CA 1.805 53.497 52.037 -0.575 0.000 0.631 97 A CB -0.526 17.706 19.000 -1.280 0.000 0.814 97 A HN 0.510 nan 8.150 nan 0.000 0.446 98 L N -0.934 120.110 121.223 -0.298 0.000 2.056 98 L HA -0.078 4.263 4.340 0.001 0.000 0.207 98 L C 2.808 179.671 176.870 -0.011 0.000 1.078 98 L CA 1.027 55.808 54.840 -0.098 0.000 0.749 98 L CB -0.651 41.417 42.059 0.016 0.000 0.901 98 L HN 0.478 nan 8.230 nan 0.000 0.433 99 G N -0.559 108.205 108.800 -0.060 0.000 2.422 99 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 99 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 99 G C 1.610 176.500 174.900 -0.017 0.000 1.140 99 G CA 0.491 45.577 45.100 -0.024 0.000 0.775 99 G HN 0.162 nan 8.290 nan 0.000 0.545 100 M N 0.521 120.090 119.600 -0.051 0.000 2.117 100 M HA -0.065 4.415 4.480 0.001 0.000 0.262 100 M C 2.422 178.730 176.300 0.014 0.000 1.065 100 M CA 1.613 56.900 55.300 -0.021 0.000 1.114 100 M CB -0.771 31.806 32.600 -0.038 0.000 1.361 100 M HN 0.321 nan 8.290 nan 0.000 0.408 101 Q N -0.180 119.627 119.800 0.012 0.000 2.124 101 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 101 Q C 2.026 178.058 176.000 0.055 0.000 0.977 101 Q CA 1.508 57.344 55.803 0.055 0.000 0.850 101 Q CB -0.186 28.595 28.738 0.070 0.000 0.901 101 Q HN 0.509 nan 8.270 nan 0.000 0.429 102 Q N 0.425 120.260 119.800 0.059 0.000 2.112 102 Q HA -0.172 4.168 4.340 0.001 0.000 0.206 102 Q C 1.981 178.009 176.000 0.047 0.000 0.987 102 Q CA 1.505 57.348 55.803 0.066 0.000 0.858 102 Q CB -0.296 28.496 28.738 0.089 0.000 0.905 102 Q HN 0.475 nan 8.270 nan 0.000 0.420 103 I N -0.113 120.480 120.570 0.038 0.000 2.406 103 I HA -0.138 4.033 4.170 0.001 0.000 0.249 103 I C 2.170 178.306 176.117 0.032 0.000 1.122 103 I CA 0.769 62.088 61.300 0.031 0.000 1.431 103 I CB -0.369 37.646 38.000 0.025 0.000 1.087 103 I HN 0.040 nan 8.210 nan 0.000 0.424 104 A N 0.809 123.652 122.820 0.038 0.000 1.940 104 A HA -0.226 4.094 4.320 0.001 0.000 0.219 104 A C 2.350 179.956 177.584 0.035 0.000 1.176 104 A CA 2.396 54.457 52.037 0.040 0.000 0.631 104 A CB -1.178 17.854 19.000 0.054 0.000 0.814 104 A HN 0.515 nan 8.150 nan 0.000 0.446 105 T N -3.906 110.669 114.554 0.036 0.000 3.129 105 T HA 0.388 4.738 4.350 0.001 0.000 0.251 105 T C 1.209 175.923 174.700 0.023 0.000 1.117 105 T CA 0.926 63.043 62.100 0.029 0.000 1.034 105 T CB -0.284 68.602 68.868 0.030 0.000 0.968 105 T HN 1.757 nan 8.240 nan 0.000 0.526 106 G N 1.785 110.599 108.800 0.023 0.000 2.298 106 G HA2 -0.179 3.781 3.960 0.001 0.000 0.287 106 G HA3 -0.179 3.781 3.960 0.001 0.000 0.287 106 G C 0.106 175.017 174.900 0.018 0.000 1.075 106 G CA 0.217 45.329 45.100 0.019 0.000 0.960 106 G HN 0.545 nan 8.290 nan 0.000 0.502 107 D N -0.634 119.779 120.400 0.022 0.000 2.454 107 D HA 0.465 5.105 4.640 0.001 0.000 0.219 107 D C 1.250 177.567 176.300 0.028 0.000 1.081 107 D CA 1.182 55.195 54.000 0.022 0.000 0.867 107 D CB 0.763 41.576 40.800 0.021 0.000 1.054 107 D HN 1.112 nan 8.370 nan 0.000 0.500 108 A N -0.514 122.325 122.820 0.032 0.000 2.594 108 A HA 0.560 4.880 4.320 0.001 0.000 0.295 108 A C 0.283 177.883 177.584 0.028 0.000 1.071 108 A CA -0.379 51.678 52.037 0.033 0.000 0.685 108 A CB 1.608 20.635 19.000 0.046 0.000 1.285 108 A HN -0.149 nan 8.150 nan 0.000 0.405 109 S N -0.098 115.616 115.700 0.023 0.000 2.468 109 S HA 0.372 4.842 4.470 0.001 0.000 0.226 109 S C 0.374 174.983 174.600 0.017 0.000 1.051 109 S CA 0.717 58.928 58.200 0.019 0.000 0.943 109 S CB -0.080 63.129 63.200 0.016 0.000 0.810 109 S HN 0.543 nan 8.310 nan 0.000 0.509 110 I N 2.076 122.656 120.570 0.017 0.000 2.534 110 I HA 0.409 4.579 4.170 0.001 0.000 0.288 110 I C -1.396 174.729 176.117 0.012 0.000 1.077 110 I CA -0.421 60.887 61.300 0.012 0.000 1.051 110 I CB 2.005 40.012 38.000 0.011 0.000 1.234 110 I HN 0.044 nan 8.210 nan 0.000 0.425 111 I N 6.282 126.855 120.570 0.004 0.000 2.689 111 I HA 0.436 4.606 4.170 0.001 0.000 0.299 111 I C -0.356 175.749 176.117 -0.020 0.000 1.059 111 I CA -0.885 60.413 61.300 -0.004 0.000 1.055 111 I CB 2.446 40.442 38.000 -0.005 0.000 1.243 111 I HN 0.102 nan 8.210 nan 0.000 0.425 112 V N 4.388 124.281 119.914 -0.034 0.000 2.370 112 V HA 0.777 4.897 4.120 0.001 0.000 0.283 112 V C 0.231 176.272 176.094 -0.088 0.000 1.023 112 V CA -0.430 61.842 62.300 -0.047 0.000 0.857 112 V CB 1.279 33.081 31.823 -0.035 0.000 0.985 112 V HN 0.888 nan 8.190 nan 0.000 0.443 113 A N 3.554 126.320 122.820 -0.090 0.000 2.475 113 A HA 1.060 5.380 4.320 0.001 0.000 0.301 113 A C 0.112 177.632 177.584 -0.107 0.000 1.059 113 A CA 0.092 52.049 52.037 -0.133 0.000 0.710 113 A CB 2.151 21.069 19.000 -0.137 0.000 1.288 113 A HN 1.484 nan 8.150 nan 0.000 0.408 114 G N -0.627 108.095 108.800 -0.130 0.000 2.455 114 G HA2 0.629 4.590 3.960 0.001 0.000 0.223 114 G HA3 0.629 4.590 3.960 0.001 0.000 0.223 114 G C -0.200 174.637 174.900 -0.106 0.000 1.226 114 G CA 0.452 45.496 45.100 -0.094 0.000 0.948 114 G HN 1.935 nan 8.290 nan 0.000 0.478 115 G N -1.014 107.739 108.800 -0.078 0.000 2.866 115 G HA2 0.854 4.814 3.960 0.001 0.000 0.289 115 G HA3 0.854 4.814 3.960 0.001 0.000 0.289 115 G C -0.749 174.110 174.900 -0.069 0.000 1.396 115 G CA -0.020 45.032 45.100 -0.079 0.000 0.848 115 G HN 1.673 nan 8.290 nan 0.000 0.515 116 M N -0.814 118.745 119.600 -0.068 0.000 2.333 116 M HA 0.767 5.247 4.480 0.001 0.000 0.286 116 M C -1.915 174.347 176.300 -0.064 0.000 1.113 116 M CA -0.801 54.456 55.300 -0.072 0.000 0.959 116 M CB 2.506 35.060 32.600 -0.077 0.000 1.776 116 M HN 0.441 nan 8.290 nan 0.000 0.492 117 E N 1.011 121.172 120.200 -0.066 0.000 2.317 117 E HA 0.690 5.041 4.350 0.001 0.000 0.270 117 E C -1.659 174.914 176.600 -0.045 0.000 0.885 117 E CA -0.405 55.965 56.400 -0.051 0.000 0.760 117 E CB 2.631 32.301 29.700 -0.051 0.000 1.227 117 E HN 0.668 nan 8.360 nan 0.000 0.434 118 S N 4.385 120.071 115.700 -0.023 0.000 2.399 118 S HA 0.265 4.735 4.470 0.001 0.000 0.215 118 S C 0.550 175.179 174.600 0.049 0.000 1.456 118 S CA -0.357 57.846 58.200 0.005 0.000 1.199 118 S CB -0.002 63.188 63.200 -0.017 0.000 1.063 118 S HN 0.696 nan 8.310 nan 0.000 0.476 119 M N 1.651 121.300 119.600 0.082 0.000 2.175 119 M HA -0.058 4.422 4.480 0.001 0.000 0.264 119 M C 2.334 178.817 176.300 0.304 0.000 1.063 119 M CA 1.202 56.584 55.300 0.137 0.000 1.119 119 M CB -0.525 32.114 32.600 0.065 0.000 1.377 119 M HN 0.570 nan 8.290 nan 0.000 0.415 120 S N 0.575 116.454 115.700 0.298 0.000 2.378 120 S HA -0.174 4.297 4.470 0.001 0.000 0.229 120 S C 1.755 176.394 174.600 0.066 0.000 1.052 120 S CA 1.435 59.701 58.200 0.109 0.000 1.084 120 S CB -0.232 62.981 63.200 0.021 0.000 0.950 120 S HN 0.442 nan 8.310 nan 0.000 0.440 121 M N 0.717 120.355 119.600 0.062 0.000 2.595 121 M HA 0.261 4.741 4.480 0.001 0.000 0.248 121 M C 0.846 177.180 176.300 0.057 0.000 1.119 121 M CA -0.074 55.252 55.300 0.045 0.000 1.079 121 M CB -1.402 31.215 32.600 0.027 0.000 1.472 121 M HN 0.200 nan 8.290 nan 0.000 0.501 122 A N 3.386 126.248 122.820 0.069 0.000 2.546 122 A HA 0.283 4.604 4.320 0.001 0.000 0.243 122 A C -2.007 175.611 177.584 0.057 0.000 1.063 122 A CA -0.562 51.505 52.037 0.050 0.000 0.757 122 A CB -0.782 18.242 19.000 0.040 0.000 0.991 122 A HN 0.159 nan 8.150 nan 0.000 0.503 123 P HA 0.464 nan 4.420 nan 0.000 0.284 123 P C -0.832 176.492 177.300 0.040 0.000 1.287 123 P CA -0.465 62.694 63.100 0.098 0.000 0.824 123 P CB 0.625 32.379 31.700 0.091 0.000 1.180 124 H N -1.447 117.656 119.070 0.054 0.000 2.482 124 H HA 0.508 5.065 4.556 0.001 0.000 0.344 124 H C 0.247 175.614 175.328 0.064 0.000 1.151 124 H CA -0.006 56.077 56.048 0.059 0.000 1.300 124 H CB 0.407 30.201 29.762 0.053 0.000 1.494 124 H HN 0.626 nan 8.280 nan 0.000 0.542 125 C N 0.584 119.984 119.300 0.168 0.000 3.171 125 C HA 0.990 5.451 4.460 0.001 0.000 0.308 125 C C -0.860 174.229 174.990 0.165 0.000 1.334 125 C CA -0.683 58.418 59.018 0.137 0.000 1.473 125 C CB 0.761 28.553 27.740 0.088 0.000 1.866 125 C HN 1.026 nan 8.230 nan 0.000 0.465 126 A N 0.722 123.638 122.820 0.161 0.000 2.513 126 A HA 0.607 4.927 4.320 0.001 0.000 0.296 126 A C -1.112 176.540 177.584 0.112 0.000 1.052 126 A CA -0.205 51.941 52.037 0.182 0.000 0.714 126 A CB 0.596 19.790 19.000 0.323 0.000 1.279 126 A HN 1.271 nan 8.150 nan 0.000 0.397 127 H N 3.519 122.589 119.070 -0.000 0.000 2.944 127 H HA 0.410 4.967 4.556 0.001 0.000 0.278 127 H C -0.552 174.705 175.328 -0.119 0.000 1.083 127 H CA 0.415 56.437 56.048 -0.043 0.000 1.479 127 H CB 0.546 30.288 29.762 -0.032 0.000 1.486 127 H HN 0.577 nan 8.280 nan 0.000 0.493 128 L N 5.108 126.039 121.223 -0.486 0.000 3.135 128 L HA 0.177 4.517 4.340 0.001 0.000 0.279 128 L C 2.161 178.800 176.870 -0.385 0.000 1.200 128 L CA -0.083 54.504 54.840 -0.423 0.000 1.016 128 L CB 0.301 42.195 42.059 -0.276 0.000 1.391 128 L HN 0.545 nan 8.230 nan 0.000 0.588 129 R N 0.456 120.652 120.500 -0.506 0.000 2.075 129 R HA -0.059 4.281 4.340 0.001 0.000 0.232 129 R C 2.229 178.403 176.300 -0.210 0.000 1.126 129 R CA 1.531 57.454 56.100 -0.295 0.000 0.963 129 R CB -0.375 29.779 30.300 -0.243 0.000 0.858 129 R HN 0.355 nan 8.270 nan 0.000 0.435 130 G N 0.362 109.023 108.800 -0.230 0.000 2.432 130 G HA2 0.077 4.037 3.960 0.001 0.000 0.219 130 G HA3 0.077 4.037 3.960 0.001 0.000 0.219 130 G C 0.584 175.407 174.900 -0.127 0.000 1.135 130 G CA 0.639 45.663 45.100 -0.127 0.000 0.767 130 G HN 0.642 nan 8.290 nan 0.000 0.550 131 G N -1.972 106.717 108.800 -0.185 0.000 2.712 131 G HA2 0.055 4.015 3.960 0.001 0.000 0.686 131 G HA3 0.055 4.015 3.960 0.001 0.000 0.686 131 G C -0.666 174.138 174.900 -0.159 0.000 1.321 131 G CA -0.435 44.563 45.100 -0.169 0.000 0.813 131 G HN 0.904 nan 8.290 nan 0.000 0.599 132 V N 3.007 122.828 119.914 -0.155 0.000 2.275 132 V HA 0.262 4.382 4.120 0.001 0.000 0.272 132 V C 1.547 177.627 176.094 -0.024 0.000 1.028 132 V CA -0.080 62.156 62.300 -0.106 0.000 0.810 132 V CB 0.975 32.708 31.823 -0.150 0.000 1.043 132 V HN 0.863 nan 8.190 nan 0.000 0.453 133 K N 4.001 124.391 120.400 -0.017 0.000 2.044 133 K HA -0.071 4.249 4.320 0.001 0.000 0.210 133 K C 0.631 177.243 176.600 0.019 0.000 1.049 133 K CA 1.639 57.925 56.287 -0.001 0.000 0.927 133 K CB 0.058 32.558 32.500 -0.001 0.000 0.713 133 K HN 0.756 nan 8.250 nan 0.000 0.443 134 M N -3.017 116.602 119.600 0.031 0.000 2.605 134 M HA 0.454 4.934 4.480 0.001 0.000 0.281 134 M C -1.279 175.059 176.300 0.064 0.000 1.166 134 M CA -0.231 55.097 55.300 0.046 0.000 0.875 134 M CB 2.463 35.082 32.600 0.033 0.000 1.732 134 M HN 0.213 nan 8.290 nan 0.000 0.504 135 G N 1.640 110.486 108.800 0.076 0.000 2.587 135 G HA2 0.041 4.001 3.960 0.001 0.000 0.686 135 G HA3 0.041 4.001 3.960 0.001 0.000 0.686 135 G C -1.754 173.223 174.900 0.128 0.000 1.236 135 G CA -0.602 44.548 45.100 0.082 0.000 0.820 135 G HN 0.965 nan 8.290 nan 0.000 0.645 136 D N -0.231 120.223 120.400 0.089 0.000 2.382 136 D HA 0.604 5.244 4.640 0.001 0.000 0.240 136 D C 0.601 177.002 176.300 0.168 0.000 1.146 136 D CA 1.009 55.044 54.000 0.058 0.000 0.897 136 D CB 0.669 41.467 40.800 -0.004 0.000 1.197 136 D HN 0.717 nan 8.370 nan 0.000 0.432 137 F N -2.100 117.861 119.950 0.020 0.000 2.629 137 F HA 0.589 5.116 4.527 0.000 0.000 0.316 137 F C -0.524 175.296 175.800 0.033 0.000 1.081 137 F CA -1.357 56.658 58.000 0.026 0.000 0.954 137 F CB 1.278 40.293 39.000 0.025 0.000 1.337 137 F HN -0.118 nan 8.300 nan 0.000 0.474 138 K N 2.263 122.800 120.400 0.228 0.000 2.201 138 K HA 0.434 4.754 4.320 0.001 0.000 0.278 138 K C -0.714 175.998 176.600 0.187 0.000 1.027 138 K CA -0.716 55.637 56.287 0.110 0.000 0.909 138 K CB 1.088 33.659 32.500 0.119 0.000 1.062 138 K HN 0.534 nan 8.250 nan 0.000 0.465 139 M N 4.518 124.167 119.600 0.082 0.000 2.084 139 M HA 0.276 4.756 4.480 0.001 0.000 0.351 139 M C -0.463 175.967 176.300 0.217 0.000 1.240 139 M CA -0.468 54.929 55.300 0.162 0.000 1.083 139 M CB 0.573 33.226 32.600 0.087 0.000 1.593 139 M HN 0.382 nan 8.290 nan 0.000 0.463 140 I N 2.676 123.359 120.570 0.189 0.000 2.331 140 I HA 0.149 4.319 4.170 0.001 0.000 0.292 140 I C 0.372 176.486 176.117 -0.004 0.000 0.998 140 I CA -0.483 60.885 61.300 0.114 0.000 1.267 140 I CB 1.124 39.170 38.000 0.077 0.000 1.386 140 I HN 0.495 nan 8.210 nan 0.000 0.476 141 D N 5.035 125.359 120.400 -0.126 0.000 2.344 141 D HA 0.018 4.659 4.640 0.001 0.000 0.253 141 D C 1.432 177.603 176.300 -0.214 0.000 1.255 141 D CA -0.001 53.704 54.000 -0.492 0.000 0.894 141 D CB 1.124 41.746 40.800 -0.297 0.000 1.067 141 D HN 0.704 nan 8.370 nan 0.000 0.492 142 T N 1.436 115.876 114.554 -0.191 0.000 2.867 142 T HA -0.218 4.133 4.350 0.001 0.000 0.268 142 T C 2.062 176.721 174.700 -0.068 0.000 1.057 142 T CA 0.785 62.834 62.100 -0.085 0.000 1.136 142 T CB -0.208 68.630 68.868 -0.050 0.000 0.874 142 T HN 0.477 nan 8.240 nan 0.000 0.466 143 M N 0.514 120.071 119.600 -0.071 0.000 2.073 143 M HA -0.102 4.379 4.480 0.001 0.000 0.258 143 M C 1.863 178.138 176.300 -0.042 0.000 1.070 143 M CA 1.999 57.272 55.300 -0.044 0.000 1.103 143 M CB -0.270 32.323 32.600 -0.012 0.000 1.321 143 M HN 0.195 nan 8.290 nan 0.000 0.405 144 I N 0.207 120.763 120.570 -0.022 0.000 2.162 144 I HA -0.227 3.944 4.170 0.001 0.000 0.238 144 I C 2.397 178.506 176.117 -0.014 0.000 1.076 144 I CA 1.441 62.752 61.300 0.018 0.000 1.353 144 I CB -1.615 36.428 38.000 0.072 0.000 1.063 144 I HN 0.317 nan 8.210 nan 0.000 0.408 145 K N 1.599 121.987 120.400 -0.021 0.000 2.009 145 K HA -0.191 4.130 4.320 0.001 0.000 0.210 145 K C 1.366 177.936 176.600 -0.051 0.000 1.049 145 K CA 1.929 58.199 56.287 -0.028 0.000 0.929 145 K CB -0.204 32.281 32.500 -0.024 0.000 0.714 145 K HN 0.264 nan 8.250 nan 0.000 0.440 146 D N -1.922 118.446 120.400 -0.053 0.000 2.360 146 D HA 0.126 4.767 4.640 0.001 0.000 0.210 146 D C 1.373 177.634 176.300 -0.065 0.000 1.047 146 D CA 0.851 54.816 54.000 -0.057 0.000 0.854 146 D CB 0.739 41.513 40.800 -0.045 0.000 0.936 146 D HN 0.428 nan 8.370 nan 0.000 0.514 147 G N -0.017 108.739 108.800 -0.074 0.000 2.798 147 G HA2 0.127 4.088 3.960 0.001 0.000 0.200 147 G HA3 0.127 4.088 3.960 0.001 0.000 0.200 147 G C 1.279 176.107 174.900 -0.120 0.000 1.092 147 G CA -0.060 44.985 45.100 -0.091 0.000 0.800 147 G HN 0.167 nan 8.290 nan 0.000 0.566 148 L N 0.916 122.050 121.223 -0.149 0.000 2.966 148 L HA 0.311 4.652 4.340 0.001 0.000 0.262 148 L C 0.055 176.707 176.870 -0.363 0.000 1.165 148 L CA 0.149 54.809 54.840 -0.300 0.000 0.978 148 L CB 1.265 43.106 42.059 -0.363 0.000 1.337 148 L HN -0.062 nan 8.230 nan 0.000 0.563 149 T N -0.396 114.058 114.554 -0.167 0.000 2.794 149 T HA 0.201 4.551 4.350 0.001 0.000 0.280 149 T C -0.615 174.043 174.700 -0.070 0.000 0.987 149 T CA -0.404 61.644 62.100 -0.087 0.000 0.993 149 T CB 2.035 70.887 68.868 -0.028 0.000 0.939 149 T HN -0.087 nan 8.240 nan 0.000 0.449 150 D N 1.622 122.009 120.400 -0.022 0.000 2.390 150 D HA 0.391 5.031 4.640 0.001 0.000 0.249 150 D C 0.869 177.086 176.300 -0.139 0.000 1.144 150 D CA -0.267 53.721 54.000 -0.020 0.000 0.880 150 D CB 0.821 41.677 40.800 0.093 0.000 1.182 150 D HN 0.547 nan 8.370 nan 0.000 0.451 151 A N 3.149 125.770 122.820 -0.332 0.000 2.169 151 A HA 0.048 4.369 4.320 0.001 0.000 0.212 151 A C 1.140 178.349 177.584 -0.626 0.000 1.153 151 A CA 0.443 52.165 52.037 -0.526 0.000 0.756 151 A CB -0.341 18.243 19.000 -0.694 0.000 0.813 151 A HN 0.606 nan 8.150 nan 0.000 0.471 152 F N -3.202 116.700 119.950 -0.080 0.000 2.500 152 F HA 0.208 4.736 4.527 0.001 0.000 0.285 152 F C 1.615 177.162 175.800 -0.422 0.000 1.088 152 F CA 0.524 58.401 58.000 -0.206 0.000 1.432 152 F CB -0.185 38.732 39.000 -0.139 0.000 1.131 152 F HN 0.198 nan 8.300 nan 0.000 0.582 153 Y N -0.264 119.944 120.300 -0.154 0.000 2.442 153 Y HA 0.391 4.941 4.550 0.001 0.000 0.250 153 Y C 1.889 177.447 175.900 -0.569 0.000 1.113 153 Y CA 0.110 57.934 58.100 -0.459 0.000 1.273 153 Y CB 0.278 38.228 38.460 -0.849 0.000 1.138 153 Y HN 0.121 nan 8.280 nan 0.000 0.522 154 G N 0.308 108.954 108.800 -0.257 0.000 2.153 154 G HA2 -0.330 3.630 3.960 0.001 0.000 0.252 154 G HA3 -0.330 3.630 3.960 0.001 0.000 0.252 154 G C -0.296 174.597 174.900 -0.013 0.000 0.994 154 G CA 0.671 45.695 45.100 -0.127 0.000 0.698 154 G HN 0.420 nan 8.290 nan 0.000 0.521 155 Y N -1.831 118.528 120.300 0.097 0.000 2.659 155 Y HA 0.825 5.375 4.550 0.001 0.000 0.333 155 Y C 0.427 176.365 175.900 0.062 0.000 1.064 155 Y CA -2.978 55.175 58.100 0.089 0.000 1.141 155 Y CB 0.377 38.882 38.460 0.076 0.000 1.316 155 Y HN 0.255 nan 8.280 nan 0.000 0.509 156 H N 1.487 120.685 119.070 0.213 0.000 2.660 156 H HA 0.127 4.683 4.556 0.001 0.000 0.374 156 H C 0.987 176.276 175.328 -0.065 0.000 1.291 156 H CA 0.025 56.103 56.048 0.051 0.000 1.437 156 H CB 1.127 30.896 29.762 0.012 0.000 1.509 156 H HN 0.767 nan 8.280 nan 0.000 0.614 157 M N 2.114 121.551 119.600 -0.271 0.000 2.267 157 M HA -0.099 4.382 4.480 0.001 0.000 0.263 157 M C 2.291 178.346 176.300 -0.408 0.000 1.063 157 M CA 1.347 56.575 55.300 -0.120 0.000 1.090 157 M CB -1.463 31.186 32.600 0.082 0.000 1.392 157 M HN 0.782 nan 8.290 nan 0.000 0.422 158 G N -0.730 107.727 108.800 -0.571 0.000 2.443 158 G HA2 -0.161 3.799 3.960 0.001 0.000 0.219 158 G HA3 -0.161 3.799 3.960 0.001 0.000 0.219 158 G C 1.547 175.774 174.900 -1.122 0.000 1.131 158 G CA 1.263 45.465 45.100 -1.497 0.000 0.775 158 G HN 0.405 nan 8.290 nan 0.000 0.547 159 T N 1.021 115.079 114.554 -0.826 0.000 2.857 159 T HA -0.125 4.226 4.350 0.001 0.000 0.266 159 T C 2.824 177.148 174.700 -0.627 0.000 1.048 159 T CA 1.929 63.624 62.100 -0.674 0.000 1.139 159 T CB -0.453 67.890 68.868 -0.875 0.000 0.874 159 T HN 0.574 nan 8.240 nan 0.000 0.455 160 T N 0.670 114.931 114.554 -0.487 0.000 2.915 160 T HA 0.095 4.446 4.350 0.001 0.000 0.269 160 T C 2.182 176.687 174.700 -0.325 0.000 1.071 160 T CA 0.980 62.897 62.100 -0.305 0.000 1.132 160 T CB -0.402 68.393 68.868 -0.122 0.000 0.878 160 T HN 0.306 nan 8.240 nan 0.000 0.479 161 A N 1.514 124.022 122.820 -0.519 0.000 1.968 161 A HA 0.010 4.331 4.320 0.001 0.000 0.217 161 A C 2.464 179.880 177.584 -0.279 0.000 1.169 161 A CA 0.993 52.746 52.037 -0.474 0.000 0.638 161 A CB -0.397 18.049 19.000 -0.922 0.000 0.812 161 A HN 0.426 nan 8.150 nan 0.000 0.446 162 E N 0.732 120.758 120.200 -0.291 0.000 2.072 162 E HA -0.156 4.194 4.350 0.001 0.000 0.191 162 E C 1.647 178.168 176.600 -0.132 0.000 0.985 162 E CA 1.042 57.339 56.400 -0.173 0.000 0.801 162 E CB -0.402 29.191 29.700 -0.178 0.000 0.750 162 E HN 0.571 nan 8.360 nan 0.000 0.452 163 N N 0.646 119.243 118.700 -0.171 0.000 2.104 163 N HA -0.131 4.610 4.740 0.001 0.000 0.190 163 N C 2.041 177.524 175.510 -0.046 0.000 1.024 163 N CA 0.895 53.876 53.050 -0.115 0.000 0.853 163 N CB -0.450 37.953 38.487 -0.140 0.000 1.008 163 N HN 0.016 nan 8.380 nan 0.000 0.424 164 V N 1.455 121.348 119.914 -0.034 0.000 2.427 164 V HA -0.131 3.990 4.120 0.001 0.000 0.248 164 V C 2.387 178.556 176.094 0.124 0.000 1.051 164 V CA 1.616 63.960 62.300 0.073 0.000 1.048 164 V CB -0.814 31.026 31.823 0.028 0.000 0.666 164 V HN 0.293 nan 8.190 nan 0.000 0.456 165 A N -0.275 122.564 122.820 0.033 0.000 1.873 165 A HA -0.188 4.133 4.320 0.001 0.000 0.215 165 A C 2.288 179.909 177.584 0.062 0.000 1.186 165 A CA 1.652 53.716 52.037 0.046 0.000 0.616 165 A CB -0.414 18.588 19.000 0.002 0.000 0.823 165 A HN 0.483 nan 8.150 nan 0.000 0.442 166 K N -0.557 119.856 120.400 0.021 0.000 2.074 166 K HA -0.213 4.108 4.320 0.001 0.000 0.209 166 K C 2.144 178.749 176.600 0.009 0.000 1.048 166 K CA 1.887 58.178 56.287 0.007 0.000 0.926 166 K CB -0.190 32.298 32.500 -0.020 0.000 0.713 166 K HN 0.608 nan 8.250 nan 0.000 0.444 167 Q N -1.602 118.211 119.800 0.021 0.000 2.398 167 Q HA -0.075 4.265 4.340 0.001 0.000 0.204 167 Q C 0.939 176.860 176.000 -0.131 0.000 0.932 167 Q CA 0.653 56.426 55.803 -0.050 0.000 0.916 167 Q CB 0.243 28.953 28.738 -0.047 0.000 1.024 167 Q HN 0.377 nan 8.270 nan 0.000 0.504 168 W N 0.509 121.783 121.300 -0.042 0.000 3.127 168 W HA 0.187 4.847 4.660 0.001 0.000 0.344 168 W C -0.110 176.390 176.519 -0.030 0.000 1.151 168 W CA -0.204 57.118 57.345 -0.038 0.000 1.765 168 W CB 0.796 30.229 29.460 -0.044 0.000 1.085 168 W HN 0.005 nan 8.180 nan 0.000 0.596 169 Q N 0.522 120.398 119.800 0.126 0.000 2.468 169 Q HA -0.211 4.129 4.340 0.001 0.000 0.289 169 Q C -0.418 175.636 176.000 0.090 0.000 1.299 169 Q CA 0.488 56.337 55.803 0.076 0.000 0.838 169 Q CB -2.320 26.444 28.738 0.043 0.000 1.195 169 Q HN 0.326 nan 8.270 nan 0.000 0.456 170 L N 1.153 122.436 121.223 0.099 0.000 2.319 170 L HA 0.242 4.583 4.340 0.001 0.000 0.280 170 L C 1.048 177.946 176.870 0.048 0.000 1.099 170 L CA -0.273 54.607 54.840 0.067 0.000 0.828 170 L CB 0.886 42.971 42.059 0.043 0.000 1.150 170 L HN 0.124 nan 8.230 nan 0.000 0.442 171 S N 1.904 117.631 115.700 0.044 0.000 2.624 171 S HA 0.198 4.669 4.470 0.001 0.000 0.263 171 S C 0.876 175.501 174.600 0.041 0.000 1.287 171 S CA -0.831 57.393 58.200 0.039 0.000 0.990 171 S CB 1.399 64.622 63.200 0.037 0.000 0.950 171 S HN 0.632 nan 8.310 nan 0.000 0.561 172 R N 0.792 121.316 120.500 0.039 0.000 2.115 172 R HA -0.075 4.265 4.340 0.001 0.000 0.230 172 R C 0.955 177.284 176.300 0.048 0.000 1.111 172 R CA 1.742 57.868 56.100 0.043 0.000 0.976 172 R CB -1.004 29.318 30.300 0.036 0.000 0.870 172 R HN 0.717 nan 8.270 nan 0.000 0.445 173 D N -0.075 120.351 120.400 0.044 0.000 2.144 173 D HA -0.138 4.503 4.640 0.001 0.000 0.200 173 D C 1.568 177.903 176.300 0.059 0.000 0.978 173 D CA 1.333 55.360 54.000 0.046 0.000 0.833 173 D CB -0.145 40.678 40.800 0.038 0.000 0.961 173 D HN 0.458 nan 8.370 nan 0.000 0.470 174 E N 0.228 120.465 120.200 0.061 0.000 2.106 174 E HA -0.172 4.178 4.350 0.001 0.000 0.192 174 E C 1.833 178.494 176.600 0.100 0.000 0.984 174 E CA 0.697 57.142 56.400 0.074 0.000 0.806 174 E CB 0.135 29.870 29.700 0.057 0.000 0.750 174 E HN 0.302 nan 8.360 nan 0.000 0.458 175 Q N 0.071 119.923 119.800 0.086 0.000 2.119 175 Q HA -0.146 4.195 4.340 0.001 0.000 0.201 175 Q C 1.535 177.628 176.000 0.154 0.000 0.972 175 Q CA 1.365 57.234 55.803 0.110 0.000 0.847 175 Q CB 0.168 28.958 28.738 0.088 0.000 0.903 175 Q HN 0.262 nan 8.270 nan 0.000 0.433 176 D N -0.042 120.426 120.400 0.113 0.000 2.234 176 D HA -0.033 4.608 4.640 0.001 0.000 0.205 176 D C 1.581 177.935 176.300 0.091 0.000 0.962 176 D CA 0.951 55.008 54.000 0.094 0.000 0.855 176 D CB 0.029 40.867 40.800 0.063 0.000 0.951 176 D HN 0.223 nan 8.370 nan 0.000 0.500 177 A N 0.171 123.052 122.820 0.102 0.000 1.929 177 A HA -0.092 4.228 4.320 0.001 0.000 0.216 177 A C 1.955 179.603 177.584 0.107 0.000 1.176 177 A CA 0.537 52.625 52.037 0.086 0.000 0.628 177 A CB -0.776 18.274 19.000 0.082 0.000 0.816 177 A HN 0.235 nan 8.150 nan 0.000 0.444 178 F N 0.706 120.668 119.950 0.019 0.000 2.325 178 F HA 0.101 4.628 4.527 0.001 0.000 0.299 178 F C 2.349 178.157 175.800 0.015 0.000 1.090 178 F CA 0.821 58.832 58.000 0.018 0.000 1.392 178 F CB -0.105 38.909 39.000 0.024 0.000 1.053 178 F HN 0.247 nan 8.300 nan 0.000 0.521 179 A N -0.150 122.768 122.820 0.164 0.000 1.854 179 A HA -0.092 4.228 4.320 0.001 0.000 0.214 179 A C 2.226 179.784 177.584 -0.043 0.000 1.192 179 A CA 1.788 53.867 52.037 0.070 0.000 0.611 179 A CB -1.325 17.742 19.000 0.111 0.000 0.832 179 A HN 0.188 nan 8.150 nan 0.000 0.442 180 V N 0.119 120.018 119.914 -0.025 0.000 2.490 180 V HA -0.244 3.876 4.120 0.001 0.000 0.250 180 V C 2.969 179.010 176.094 -0.088 0.000 1.061 180 V CA 1.826 64.097 62.300 -0.047 0.000 1.064 180 V CB -1.210 30.600 31.823 -0.022 0.000 0.670 180 V HN 0.619 nan 8.190 nan 0.000 0.461 181 A N -0.628 122.116 122.820 -0.127 0.000 1.873 181 A HA -0.215 4.105 4.320 0.001 0.000 0.215 181 A C 2.561 180.010 177.584 -0.224 0.000 1.186 181 A CA 2.052 53.983 52.037 -0.175 0.000 0.616 181 A CB -0.864 18.006 19.000 -0.217 0.000 0.823 181 A HN 0.471 nan 8.150 nan 0.000 0.442 182 S N -0.978 114.529 115.700 -0.321 0.000 2.383 182 S HA -0.216 4.254 4.470 0.001 0.000 0.229 182 S C 2.177 176.688 174.600 -0.148 0.000 1.030 182 S CA 1.702 59.737 58.200 -0.275 0.000 1.002 182 S CB -0.384 62.640 63.200 -0.294 0.000 0.829 182 S HN 0.578 nan 8.310 nan 0.000 0.467 183 Q N 0.938 120.661 119.800 -0.128 0.000 2.079 183 Q HA -0.016 4.324 4.340 0.001 0.000 0.200 183 Q C 2.030 177.964 176.000 -0.110 0.000 0.974 183 Q CA 1.310 57.047 55.803 -0.111 0.000 0.840 183 Q CB -0.751 27.923 28.738 -0.107 0.000 0.898 183 Q HN 0.715 nan 8.270 nan 0.000 0.430 184 N N 0.552 119.189 118.700 -0.104 0.000 2.120 184 N HA -0.132 4.609 4.740 0.001 0.000 0.188 184 N C 1.686 177.144 175.510 -0.087 0.000 1.024 184 N CA 0.799 53.793 53.050 -0.093 0.000 0.852 184 N CB 0.044 38.483 38.487 -0.081 0.000 1.003 184 N HN 0.168 nan 8.380 nan 0.000 0.424 185 K N 0.577 120.924 120.400 -0.088 0.000 2.155 185 K HA 0.012 4.333 4.320 0.001 0.000 0.203 185 K C 2.033 178.615 176.600 -0.030 0.000 1.052 185 K CA 0.807 57.051 56.287 -0.072 0.000 0.948 185 K CB 0.045 32.493 32.500 -0.086 0.000 0.728 185 K HN 0.149 nan 8.250 nan 0.000 0.448 186 A N 1.543 124.363 122.820 0.001 0.000 1.872 186 A HA -0.176 4.144 4.320 0.001 0.000 0.214 186 A C 2.080 179.712 177.584 0.080 0.000 1.187 186 A CA 1.233 53.343 52.037 0.122 0.000 0.614 186 A CB -0.369 18.669 19.000 0.063 0.000 0.826 186 A HN 0.327 nan 8.150 nan 0.000 0.442 187 E N 0.128 120.285 120.200 -0.071 0.000 2.038 187 E HA -0.203 4.147 4.350 0.001 0.000 0.195 187 E C 2.159 178.703 176.600 -0.093 0.000 1.000 187 E CA 1.300 57.598 56.400 -0.169 0.000 0.803 187 E CB -0.273 29.271 29.700 -0.259 0.000 0.750 187 E HN 0.499 nan 8.360 nan 0.000 0.448 188 A N 1.144 123.915 122.820 -0.082 0.000 1.908 188 A HA -0.133 4.187 4.320 0.001 0.000 0.218 188 A C 2.381 179.898 177.584 -0.113 0.000 1.181 188 A CA 2.036 54.024 52.037 -0.081 0.000 0.627 188 A CB -0.756 18.197 19.000 -0.078 0.000 0.818 188 A HN 0.439 nan 8.150 nan 0.000 0.445 189 A N -0.902 121.824 122.820 -0.157 0.000 1.873 189 A HA -0.200 4.121 4.320 0.001 0.000 0.215 189 A C 2.218 179.560 177.584 -0.404 0.000 1.186 189 A CA 1.786 53.596 52.037 -0.378 0.000 0.616 189 A CB -0.597 18.024 19.000 -0.632 0.000 0.823 189 A HN 0.663 nan 8.150 nan 0.000 0.442 190 Q N -0.210 119.543 119.800 -0.079 0.000 2.050 190 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 190 Q C 1.896 177.924 176.000 0.047 0.000 0.980 190 Q CA 1.733 57.633 55.803 0.161 0.000 0.840 190 Q CB -0.131 28.785 28.738 0.296 0.000 0.898 190 Q HN 0.613 nan 8.270 nan 0.000 0.424 191 K N 0.112 120.522 120.400 0.016 0.000 2.211 191 K HA -0.111 4.209 4.320 0.001 0.000 0.203 191 K C 0.998 177.582 176.600 -0.026 0.000 1.050 191 K CA 1.114 57.409 56.287 0.013 0.000 0.945 191 K CB 0.145 32.653 32.500 0.014 0.000 0.732 191 K HN 0.273 nan 8.250 nan 0.000 0.451 192 D N -0.190 120.165 120.400 -0.075 0.000 2.349 192 D HA 0.025 4.665 4.640 0.001 0.000 0.224 192 D C 0.882 177.121 176.300 -0.101 0.000 1.029 192 D CA 0.495 54.439 54.000 -0.093 0.000 0.879 192 D CB 0.314 41.039 40.800 -0.125 0.000 0.906 192 D HN 0.341 nan 8.370 nan 0.000 0.528 193 G N 1.439 110.184 108.800 -0.093 0.000 2.198 193 G HA2 -0.397 3.563 3.960 0.001 0.000 0.260 193 G HA3 -0.397 3.563 3.960 0.001 0.000 0.260 193 G C 1.202 176.024 174.900 -0.130 0.000 1.025 193 G CA 0.234 45.289 45.100 -0.074 0.000 0.769 193 G HN 0.334 nan 8.290 nan 0.000 0.507 194 R N -1.239 119.097 120.500 -0.273 0.000 2.193 194 R HA 0.112 4.453 4.340 0.001 0.000 0.213 194 R C 1.492 177.600 176.300 -0.320 0.000 1.055 194 R CA 1.126 57.017 56.100 -0.347 0.000 0.995 194 R CB -0.148 29.851 30.300 -0.502 0.000 0.893 194 R HN 0.452 nan 8.270 nan 0.000 0.459 195 F N 0.702 120.619 119.950 -0.055 0.000 2.765 195 F HA 0.159 4.687 4.527 0.001 0.000 0.302 195 F C 2.048 177.782 175.800 -0.110 0.000 1.111 195 F CA -0.042 57.911 58.000 -0.078 0.000 1.359 195 F CB -0.176 38.796 39.000 -0.047 0.000 1.097 195 F HN -0.131 nan 8.300 nan 0.000 0.577 196 K N 0.722 121.139 120.400 0.029 0.000 2.001 196 K HA -0.157 4.163 4.320 0.001 0.000 0.208 196 K C 1.644 178.176 176.600 -0.112 0.000 1.048 196 K CA 1.808 58.084 56.287 -0.019 0.000 0.932 196 K CB -0.116 32.373 32.500 -0.019 0.000 0.715 196 K HN -0.030 nan 8.250 nan 0.000 0.437 197 D N 0.852 121.142 120.400 -0.184 0.000 2.126 197 D HA -0.233 4.407 4.640 0.001 0.000 0.190 197 D C 1.905 177.777 176.300 -0.712 0.000 1.001 197 D CA 1.938 55.734 54.000 -0.340 0.000 0.841 197 D CB -0.195 40.428 40.800 -0.294 0.000 0.949 197 D HN 0.583 nan 8.370 nan 0.000 0.446 198 E N 0.467 120.116 120.200 -0.918 0.000 2.076 198 E HA -0.088 4.262 4.350 0.001 0.000 0.190 198 E C 0.954 177.376 176.600 -0.296 0.000 0.979 198 E CA 0.261 56.117 56.400 -0.907 0.000 0.807 198 E CB -0.193 29.163 29.700 -0.572 0.000 0.761 198 E HN 0.234 nan 8.360 nan 0.000 0.454 199 I N 2.981 123.458 120.570 -0.156 0.000 2.517 199 I HA -0.005 4.165 4.170 0.001 0.000 0.285 199 I C -0.108 175.995 176.117 -0.024 0.000 1.106 199 I CA -0.274 61.000 61.300 -0.043 0.000 1.402 199 I CB 1.282 39.285 38.000 0.006 0.000 1.399 199 I HN 0.009 nan 8.210 nan 0.000 0.535 200 V N 10.063 129.986 119.914 0.014 0.000 2.383 200 V HA 0.345 4.465 4.120 0.001 0.000 0.275 200 V C -2.049 174.097 176.094 0.087 0.000 1.036 200 V CA -1.972 60.352 62.300 0.040 0.000 0.889 200 V CB 1.391 33.242 31.823 0.047 0.000 0.985 200 V HN 0.520 nan 8.190 nan 0.000 0.459 201 P HA 0.114 nan 4.420 nan 0.000 0.265 201 P C -1.152 176.241 177.300 0.156 0.000 1.193 201 P CA 0.354 63.523 63.100 0.116 0.000 0.765 201 P CB 0.138 31.876 31.700 0.063 0.000 0.823 202 F N 3.874 123.867 119.950 0.071 0.000 2.469 202 F HA 0.492 5.019 4.527 0.001 0.000 0.332 202 F C -0.241 175.602 175.800 0.070 0.000 1.103 202 F CA -0.918 57.108 58.000 0.043 0.000 0.979 202 F CB 0.870 39.872 39.000 0.003 0.000 1.137 202 F HN 0.129 nan 8.300 nan 0.000 0.463 203 I N 7.197 127.367 120.570 -0.666 0.000 2.291 203 I HA 0.196 4.366 4.170 0.001 0.000 0.290 203 I C -0.760 175.117 176.117 -0.400 0.000 1.050 203 I CA -0.822 60.248 61.300 -0.384 0.000 1.245 203 I CB 1.116 38.920 38.000 -0.327 0.000 1.405 203 I HN 0.234 nan 8.210 nan 0.000 0.478 204 V N 7.760 127.710 119.914 0.060 0.000 2.387 204 V HA 0.110 4.231 4.120 0.001 0.000 0.260 204 V C 0.627 176.758 176.094 0.063 0.000 1.054 204 V CA -0.638 61.780 62.300 0.198 0.000 0.967 204 V CB 0.065 32.070 31.823 0.302 0.000 1.036 204 V HN 0.590 nan 8.190 nan 0.000 0.481 205 K N 4.134 124.547 120.400 0.021 0.000 2.339 205 K HA 0.539 4.859 4.320 0.001 0.000 0.286 205 K C 0.417 177.030 176.600 0.022 0.000 1.050 205 K CA 0.015 56.301 56.287 -0.001 0.000 0.956 205 K CB 1.670 34.156 32.500 -0.024 0.000 0.990 205 K HN 0.801 nan 8.250 nan 0.000 0.475 206 G N 1.552 110.361 108.800 0.015 0.000 2.605 206 G HA2 0.237 4.198 3.960 0.001 0.000 0.296 206 G HA3 0.237 4.198 3.960 0.001 0.000 0.296 206 G C 0.673 175.579 174.900 0.009 0.000 1.304 206 G CA -0.709 44.401 45.100 0.018 0.000 0.941 206 G HN 0.477 nan 8.290 nan 0.000 0.475 207 R N 0.402 120.908 120.500 0.009 0.000 2.057 207 R HA 0.037 4.378 4.340 0.001 0.000 0.229 207 R C 0.615 176.917 176.300 0.004 0.000 1.136 207 R CA 0.824 56.927 56.100 0.006 0.000 0.952 207 R CB -0.371 29.933 30.300 0.006 0.000 0.848 207 R HN 0.405 nan 8.270 nan 0.000 0.430 208 K N 0.879 121.282 120.400 0.004 0.000 2.965 208 K HA 0.326 4.646 4.320 0.001 0.000 0.216 208 K C -0.568 176.034 176.600 0.003 0.000 1.164 208 K CA 0.148 56.437 56.287 0.002 0.000 1.153 208 K CB 1.072 33.573 32.500 0.002 0.000 1.045 208 K HN 0.493 nan 8.250 nan 0.000 0.460 209 G N 1.336 110.138 108.800 0.004 0.000 2.350 209 G HA2 -0.080 3.880 3.960 0.001 0.000 0.274 209 G HA3 -0.080 3.880 3.960 0.001 0.000 0.274 209 G C -1.700 173.204 174.900 0.007 0.000 1.621 209 G CA -1.129 43.974 45.100 0.004 0.000 0.935 209 G HN 0.064 nan 8.290 nan 0.000 0.694 210 D N 0.579 120.979 120.400 0.001 0.000 2.350 210 D HA 0.539 5.179 4.640 0.001 0.000 0.249 210 D C 0.495 176.802 176.300 0.010 0.000 1.119 210 D CA 0.396 54.396 54.000 0.000 0.000 0.886 210 D CB 1.551 42.341 40.800 -0.017 0.000 1.195 210 D HN 0.407 nan 8.370 nan 0.000 0.437 211 I N 1.665 122.252 120.570 0.028 0.000 2.410 211 I HA 0.115 4.286 4.170 0.001 0.000 0.286 211 I C -0.017 176.136 176.117 0.060 0.000 1.009 211 I CA -0.505 60.819 61.300 0.040 0.000 1.111 211 I CB 1.693 39.724 38.000 0.051 0.000 1.262 211 I HN 0.054 nan 8.210 nan 0.000 0.443 212 T N 5.881 120.461 114.554 0.043 0.000 2.761 212 T HA 0.291 4.641 4.350 0.001 0.000 0.296 212 T C -0.002 174.751 174.700 0.087 0.000 0.934 212 T CA -0.282 61.852 62.100 0.057 0.000 1.091 212 T CB 0.890 69.774 68.868 0.027 0.000 0.896 212 T HN 0.170 nan 8.240 nan 0.000 0.515 213 V N 4.992 125.001 119.914 0.159 0.000 2.313 213 V HA 0.306 4.427 4.120 0.001 0.000 0.278 213 V C 0.093 176.287 176.094 0.166 0.000 1.017 213 V CA -0.754 61.640 62.300 0.156 0.000 0.823 213 V CB 1.072 33.029 31.823 0.223 0.000 1.010 213 V HN 1.001 nan 8.190 nan 0.000 0.443 214 D N 2.781 123.238 120.400 0.094 0.000 2.599 214 D HA 0.479 5.120 4.640 0.001 0.000 0.249 214 D C -0.013 176.322 176.300 0.059 0.000 1.313 214 D CA 0.008 54.059 54.000 0.085 0.000 0.815 214 D CB 1.055 41.895 40.800 0.066 0.000 1.077 214 D HN 0.519 nan 8.370 nan 0.000 0.492 215 A N 0.023 122.865 122.820 0.038 0.000 2.449 215 A HA 0.490 4.811 4.320 0.001 0.000 0.302 215 A C -1.034 176.541 177.584 -0.015 0.000 1.048 215 A CA -0.858 51.195 52.037 0.027 0.000 0.708 215 A CB 1.307 20.331 19.000 0.040 0.000 1.274 215 A HN 0.027 nan 8.150 nan 0.000 0.410 216 D N 2.204 122.586 120.400 -0.030 0.000 2.382 216 D HA 0.104 4.744 4.640 0.001 0.000 0.259 216 D C 0.888 177.187 176.300 -0.001 0.000 1.224 216 D CA 0.442 54.407 54.000 -0.058 0.000 0.894 216 D CB 1.022 41.735 40.800 -0.145 0.000 1.127 216 D HN 0.753 nan 8.370 nan 0.000 0.487 217 E N 1.535 121.729 120.200 -0.011 0.000 2.474 217 E HA -0.135 4.216 4.350 0.001 0.000 0.194 217 E C 1.093 177.749 176.600 0.094 0.000 1.041 217 E CA 0.066 56.476 56.400 0.017 0.000 0.874 217 E CB -0.002 29.670 29.700 -0.047 0.000 0.914 217 E HN 0.445 nan 8.360 nan 0.000 0.498 218 Y N 1.635 121.911 120.300 -0.039 0.000 2.510 218 Y HA 0.278 4.829 4.550 0.001 0.000 0.273 218 Y C 0.466 176.361 175.900 -0.007 0.000 1.119 218 Y CA -0.715 57.372 58.100 -0.021 0.000 1.286 218 Y CB 0.393 38.834 38.460 -0.033 0.000 1.061 218 Y HN -0.109 nan 8.280 nan 0.000 0.542 219 I N 4.038 124.593 120.570 -0.025 0.000 2.587 219 I HA 0.004 4.174 4.170 0.001 0.000 0.284 219 I C -0.002 176.074 176.117 -0.070 0.000 1.134 219 I CA 0.323 61.562 61.300 -0.102 0.000 1.410 219 I CB 0.339 38.292 38.000 -0.079 0.000 1.392 219 I HN 0.074 nan 8.210 nan 0.000 0.545 220 R N 5.145 125.558 120.500 -0.145 0.000 2.265 220 R HA 0.438 4.778 4.340 0.001 0.000 0.314 220 R C -0.874 175.408 176.300 -0.030 0.000 1.053 220 R CA -0.869 55.201 56.100 -0.051 0.000 0.931 220 R CB 0.406 30.639 30.300 -0.111 0.000 1.024 220 R HN 0.461 nan 8.270 nan 0.000 0.457 221 H N 0.933 119.967 119.070 -0.060 0.000 2.580 221 H HA 0.262 4.818 4.556 0.001 0.000 0.322 221 H C 1.212 176.517 175.328 -0.038 0.000 1.082 221 H CA 0.794 56.818 56.048 -0.040 0.000 1.383 221 H CB 1.542 31.287 29.762 -0.029 0.000 1.450 221 H HN 0.972 nan 8.280 nan 0.000 0.505 222 G N 1.866 110.685 108.800 0.032 0.000 2.176 222 G HA2 -0.233 3.728 3.960 0.001 0.000 0.252 222 G HA3 -0.233 3.728 3.960 0.001 0.000 0.252 222 G C 0.398 175.292 174.900 -0.009 0.000 1.024 222 G CA 0.020 45.127 45.100 0.012 0.000 0.755 222 G HN 0.924 nan 8.290 nan 0.000 0.507 223 A N 0.673 123.475 122.820 -0.030 0.000 2.515 223 A HA 0.581 4.901 4.320 0.001 0.000 0.263 223 A C 1.136 178.703 177.584 -0.028 0.000 1.096 223 A CA 1.399 53.415 52.037 -0.036 0.000 0.769 223 A CB -0.048 18.916 19.000 -0.059 0.000 1.040 223 A HN 1.867 nan 8.150 nan 0.000 0.505 224 T N 0.471 115.014 114.554 -0.018 0.000 2.923 224 T HA 0.453 4.803 4.350 0.001 0.000 0.281 224 T C 0.952 175.647 174.700 -0.007 0.000 0.995 224 T CA -0.199 61.894 62.100 -0.012 0.000 0.985 224 T CB 0.815 69.679 68.868 -0.007 0.000 1.114 224 T HN 0.612 nan 8.240 nan 0.000 0.548 225 L N -0.135 121.087 121.223 -0.003 0.000 2.270 225 L HA 0.200 4.540 4.340 0.001 0.000 0.210 225 L C 1.617 178.490 176.870 0.006 0.000 1.104 225 L CA 1.415 56.258 54.840 0.004 0.000 0.804 225 L CB -0.448 41.615 42.059 0.007 0.000 0.937 225 L HN 0.736 nan 8.230 nan 0.000 0.450 226 D N -0.746 119.656 120.400 0.003 0.000 2.103 226 D HA -0.168 4.473 4.640 0.001 0.000 0.199 226 D C 2.388 178.690 176.300 0.003 0.000 0.978 226 D CA 1.535 55.538 54.000 0.004 0.000 0.829 226 D CB -0.044 40.757 40.800 0.002 0.000 0.981 226 D HN 0.463 nan 8.370 nan 0.000 0.464 227 S N -0.116 115.584 115.700 0.000 0.000 2.402 227 S HA -0.167 4.304 4.470 0.001 0.000 0.229 227 S C 1.928 176.528 174.600 0.001 0.000 1.021 227 S CA 0.629 58.828 58.200 -0.001 0.000 0.974 227 S CB -0.249 62.947 63.200 -0.006 0.000 0.800 227 S HN 0.056 nan 8.310 nan 0.000 0.484 228 M N 2.577 122.180 119.600 0.004 0.000 2.132 228 M HA 0.223 4.703 4.480 0.001 0.000 0.263 228 M C 2.175 178.486 176.300 0.017 0.000 1.065 228 M CA 1.569 56.877 55.300 0.012 0.000 1.122 228 M CB -0.869 31.741 32.600 0.017 0.000 1.365 228 M HN 0.434 nan 8.290 nan 0.000 0.411 229 A N -1.109 121.720 122.820 0.015 0.000 2.119 229 A HA -0.073 4.248 4.320 0.001 0.000 0.216 229 A C 2.030 179.621 177.584 0.012 0.000 1.152 229 A CA 1.129 53.176 52.037 0.017 0.000 0.708 229 A CB -0.561 18.449 19.000 0.016 0.000 0.805 229 A HN 0.548 nan 8.150 nan 0.000 0.460 230 K N -0.513 119.892 120.400 0.008 0.000 2.228 230 K HA 0.167 4.488 4.320 0.001 0.000 0.202 230 K C 0.130 176.731 176.600 0.003 0.000 1.051 230 K CA 0.012 56.301 56.287 0.005 0.000 0.960 230 K CB -0.200 32.301 32.500 0.002 0.000 0.743 230 K HN 0.425 nan 8.250 nan 0.000 0.458 231 L N 1.519 122.744 121.223 0.004 0.000 2.482 231 L HA 0.022 4.362 4.340 0.001 0.000 0.273 231 L C 0.466 177.333 176.870 -0.004 0.000 1.228 231 L CA -0.104 54.735 54.840 -0.001 0.000 0.827 231 L CB 0.257 42.317 42.059 0.002 0.000 1.099 231 L HN 0.023 nan 8.230 nan 0.000 0.494 232 R N 1.476 121.966 120.500 -0.017 0.000 2.500 232 R HA 0.306 4.646 4.340 0.001 0.000 0.275 232 R C -2.305 173.974 176.300 -0.035 0.000 1.051 232 R CA -1.444 54.642 56.100 -0.024 0.000 1.088 232 R CB 0.426 30.706 30.300 -0.033 0.000 1.063 232 R HN 0.312 nan 8.270 nan 0.000 0.511 233 P HA 0.007 nan 4.420 nan 0.000 0.267 233 P C -0.557 176.677 177.300 -0.110 0.000 1.209 233 P CA 0.296 63.377 63.100 -0.032 0.000 0.763 233 P CB 1.197 32.898 31.700 0.001 0.000 0.816 234 A N 2.663 125.338 122.820 -0.242 0.000 1.935 234 A HA -0.026 4.294 4.320 0.001 0.000 0.214 234 A C 1.152 178.367 177.584 -0.615 0.000 1.178 234 A CA 1.251 52.968 52.037 -0.533 0.000 0.640 234 A CB -0.870 17.597 19.000 -0.888 0.000 0.825 234 A HN 0.466 nan 8.150 nan 0.000 0.447 235 F N -0.657 119.269 119.950 -0.041 0.000 2.479 235 F HA 0.246 4.773 4.527 0.001 0.000 0.280 235 F C 0.791 176.569 175.800 -0.036 0.000 0.982 235 F CA -0.220 57.751 58.000 -0.049 0.000 1.276 235 F CB -0.123 38.833 39.000 -0.073 0.000 1.137 235 F HN -0.003 nan 8.300 nan 0.000 0.660 236 D N 0.930 121.425 120.400 0.159 0.000 2.232 236 D HA 0.132 4.773 4.640 0.001 0.000 0.242 236 D C 0.568 176.891 176.300 0.037 0.000 1.093 236 D CA 0.007 54.050 54.000 0.072 0.000 0.845 236 D CB 1.725 42.552 40.800 0.044 0.000 1.124 236 D HN -0.147 nan 8.370 nan 0.000 0.467 237 K N 1.679 122.095 120.400 0.026 0.000 2.283 237 K HA -0.111 4.209 4.320 0.001 0.000 0.202 237 K C 0.663 177.270 176.600 0.012 0.000 1.048 237 K CA 0.947 57.243 56.287 0.014 0.000 0.948 237 K CB 0.105 32.614 32.500 0.015 0.000 0.742 237 K HN 0.586 nan 8.250 nan 0.000 0.458 238 E N -1.218 118.991 120.200 0.014 0.000 3.385 238 E HA 0.310 4.661 4.350 0.001 0.000 0.206 238 E C 0.496 177.104 176.600 0.013 0.000 0.997 238 E CA -0.425 55.983 56.400 0.012 0.000 1.278 238 E CB 0.634 30.340 29.700 0.010 0.000 1.165 238 E HN 0.087 nan 8.360 nan 0.000 0.452 239 G N 0.228 109.039 108.800 0.019 0.000 3.022 239 G HA2 0.270 4.230 3.960 0.001 0.000 0.157 239 G HA3 0.270 4.230 3.960 0.001 0.000 0.157 239 G C 0.496 175.413 174.900 0.027 0.000 1.468 239 G CA 0.626 45.740 45.100 0.022 0.000 1.058 239 G HN 0.158 nan 8.290 nan 0.000 0.581 240 T N -2.585 111.994 114.554 0.041 0.000 3.352 240 T HA 0.094 4.444 4.350 0.001 0.000 0.269 240 T C 0.008 174.752 174.700 0.073 0.000 0.841 240 T CA 0.135 62.263 62.100 0.046 0.000 0.894 240 T CB -0.165 68.724 68.868 0.035 0.000 1.238 240 T HN 0.244 nan 8.240 nan 0.000 0.586 241 V N 4.239 124.213 119.914 0.101 0.000 2.555 241 V HA 0.584 4.704 4.120 0.001 0.000 0.286 241 V C 0.781 176.988 176.094 0.189 0.000 1.044 241 V CA 0.359 62.762 62.300 0.171 0.000 1.026 241 V CB 0.917 32.851 31.823 0.184 0.000 0.981 241 V HN 0.728 nan 8.190 nan 0.000 0.480 242 T N 1.360 116.019 114.554 0.174 0.000 2.831 242 T HA 0.682 5.032 4.350 0.001 0.000 0.287 242 T C 1.020 175.783 174.700 0.106 0.000 1.070 242 T CA -0.071 62.078 62.100 0.082 0.000 1.010 242 T CB 1.845 70.742 68.868 0.049 0.000 1.264 242 T HN 0.616 nan 8.240 nan 0.000 0.532 243 A N 0.357 123.192 122.820 0.025 0.000 1.940 243 A HA 0.172 4.493 4.320 0.001 0.000 0.219 243 A C 2.319 179.952 177.584 0.081 0.000 1.176 243 A CA 2.220 54.287 52.037 0.049 0.000 0.631 243 A CB -1.734 17.271 19.000 0.008 0.000 0.814 243 A HN 1.167 nan 8.150 nan 0.000 0.446 244 G N 0.822 109.658 108.800 0.060 0.000 2.433 244 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 244 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 244 G C 1.102 176.050 174.900 0.081 0.000 1.186 244 G CA 1.228 46.358 45.100 0.051 0.000 0.779 244 G HN 0.800 nan 8.290 nan 0.000 0.543 245 N N 0.292 119.064 118.700 0.120 0.000 2.268 245 N HA 0.483 5.223 4.740 0.001 0.000 0.204 245 N C 0.270 175.908 175.510 0.213 0.000 1.124 245 N CA 0.377 53.522 53.050 0.159 0.000 0.838 245 N CB 0.458 39.041 38.487 0.160 0.000 0.994 245 N HN 0.372 nan 8.380 nan 0.000 0.489 246 A N -0.814 122.136 122.820 0.218 0.000 2.330 246 A HA 0.704 5.025 4.320 0.001 0.000 0.329 246 A C 0.065 177.700 177.584 0.084 0.000 1.135 246 A CA -0.702 51.462 52.037 0.212 0.000 0.817 246 A CB 1.183 20.445 19.000 0.437 0.000 1.269 246 A HN 0.181 nan 8.150 nan 0.000 0.469 247 S N -0.976 114.670 115.700 -0.090 0.000 2.624 247 S HA 0.584 5.054 4.470 0.001 0.000 0.263 247 S C 0.682 175.301 174.600 0.032 0.000 1.287 247 S CA 0.267 58.457 58.200 -0.016 0.000 0.990 247 S CB 0.697 63.821 63.200 -0.127 0.000 0.950 247 S HN 1.248 nan 8.310 nan 0.000 0.561 248 G N 0.277 109.071 108.800 -0.011 0.000 2.887 248 G HA2 0.620 4.581 3.960 0.001 0.000 0.277 248 G HA3 0.620 4.581 3.960 0.001 0.000 0.277 248 G C -1.415 173.330 174.900 -0.258 0.000 1.346 248 G CA -0.865 44.159 45.100 -0.126 0.000 1.058 248 G HN 0.666 nan 8.290 nan 0.000 0.535 249 L N 0.421 121.437 121.223 -0.345 0.000 2.289 249 L HA 0.501 4.842 4.340 0.001 0.000 0.285 249 L C -0.380 176.310 176.870 -0.300 0.000 1.049 249 L CA -0.565 54.014 54.840 -0.435 0.000 0.804 249 L CB 1.437 42.909 42.059 -0.978 0.000 1.195 249 L HN 0.464 nan 8.230 nan 0.000 0.428 250 N N 0.696 119.291 118.700 -0.175 0.000 2.708 250 N HA 0.474 5.214 4.740 0.001 0.000 0.257 250 N C -1.908 173.604 175.510 0.004 0.000 1.373 250 N CA -0.903 52.087 53.050 -0.099 0.000 0.843 250 N CB 1.983 40.350 38.487 -0.199 0.000 1.503 250 N HN 0.441 nan 8.380 nan 0.000 0.504 251 D N -0.264 120.172 120.400 0.060 0.000 2.342 251 D HA 0.769 5.410 4.640 0.001 0.000 0.243 251 D C -0.029 176.360 176.300 0.149 0.000 1.019 251 D CA -0.393 53.673 54.000 0.111 0.000 0.864 251 D CB 2.050 42.977 40.800 0.213 0.000 1.315 251 D HN 0.636 nan 8.370 nan 0.000 0.468 252 G N -0.884 107.943 108.800 0.044 0.000 2.320 252 G HA2 0.618 4.578 3.960 0.001 0.000 0.296 252 G HA3 0.618 4.578 3.960 0.001 0.000 0.296 252 G C -2.029 172.811 174.900 -0.101 0.000 1.306 252 G CA -0.196 44.901 45.100 -0.003 0.000 0.836 252 G HN 0.658 nan 8.290 nan 0.000 0.517 253 A N -1.408 121.347 122.820 -0.109 0.000 2.606 253 A HA 1.133 5.453 4.320 0.001 0.000 0.293 253 A C -0.461 177.093 177.584 -0.050 0.000 1.082 253 A CA 0.273 52.254 52.037 -0.093 0.000 0.685 253 A CB 1.499 20.417 19.000 -0.136 0.000 1.284 253 A HN 2.629 nan 8.150 nan 0.000 0.408 254 A N -0.280 122.519 122.820 -0.034 0.000 2.577 254 A HA 0.993 5.314 4.320 0.001 0.000 0.297 254 A C -0.554 177.024 177.584 -0.009 0.000 1.060 254 A CA 0.225 52.258 52.037 -0.006 0.000 0.697 254 A CB 0.925 19.929 19.000 0.007 0.000 1.281 254 A HN 2.709 nan 8.150 nan 0.000 0.402 255 A N 0.178 123.004 122.820 0.010 0.000 2.602 255 A HA 1.048 5.369 4.320 0.001 0.000 0.290 255 A C -0.640 176.956 177.584 0.020 0.000 1.114 255 A CA -0.072 51.964 52.037 -0.002 0.000 0.683 255 A CB 1.132 20.121 19.000 -0.019 0.000 1.281 255 A HN 2.645 nan 8.150 nan 0.000 0.416 256 A N 0.162 122.981 122.820 -0.002 0.000 2.381 256 A HA 0.660 4.980 4.320 0.001 0.000 0.299 256 A C -1.133 176.445 177.584 -0.010 0.000 1.049 256 A CA -0.343 51.696 52.037 0.003 0.000 0.715 256 A CB 1.007 20.002 19.000 -0.008 0.000 1.222 256 A HN 1.622 nan 8.150 nan 0.000 0.428 257 L N 3.445 124.667 121.223 -0.001 0.000 2.313 257 L HA 0.554 4.894 4.340 0.001 0.000 0.282 257 L C -0.998 175.867 176.870 -0.009 0.000 1.092 257 L CA -0.218 54.619 54.840 -0.005 0.000 0.831 257 L CB 0.266 42.328 42.059 0.004 0.000 1.159 257 L HN 0.635 nan 8.230 nan 0.000 0.442 258 L N 6.680 127.896 121.223 -0.012 0.000 2.325 258 L HA 0.672 5.012 4.340 0.001 0.000 0.278 258 L C 0.017 176.885 176.870 -0.002 0.000 1.023 258 L CA -0.532 54.302 54.840 -0.010 0.000 0.811 258 L CB 1.584 43.633 42.059 -0.016 0.000 1.249 258 L HN 0.725 nan 8.230 nan 0.000 0.431 259 M N 0.010 119.610 119.600 0.002 0.000 2.924 259 M HA 0.554 5.035 4.480 0.001 0.000 0.271 259 M C -0.490 175.815 176.300 0.010 0.000 1.280 259 M CA -0.854 54.450 55.300 0.007 0.000 0.813 259 M CB 2.020 34.624 32.600 0.007 0.000 1.658 259 M HN 0.442 nan 8.290 nan 0.000 0.467 260 S N -0.457 115.251 115.700 0.012 0.000 2.572 260 S HA 0.102 4.572 4.470 0.001 0.000 0.279 260 S C 0.689 175.297 174.600 0.013 0.000 1.341 260 S CA 0.172 58.381 58.200 0.014 0.000 1.043 260 S CB 1.193 64.403 63.200 0.015 0.000 0.887 260 S HN 0.937 nan 8.310 nan 0.000 0.516 261 E N 2.291 122.500 120.200 0.014 0.000 2.086 261 E HA -0.260 4.090 4.350 0.001 0.000 0.200 261 E C 2.096 178.703 176.600 0.012 0.000 1.012 261 E CA 1.538 57.946 56.400 0.014 0.000 0.812 261 E CB -0.530 29.180 29.700 0.017 0.000 0.743 261 E HN 0.907 nan 8.360 nan 0.000 0.453 262 A N 0.618 123.446 122.820 0.012 0.000 1.969 262 A HA -0.193 4.128 4.320 0.001 0.000 0.218 262 A C 1.957 179.547 177.584 0.010 0.000 1.169 262 A CA 1.598 53.641 52.037 0.011 0.000 0.635 262 A CB -0.455 18.552 19.000 0.012 0.000 0.810 262 A HN 0.388 nan 8.150 nan 0.000 0.445 263 E N 0.270 120.476 120.200 0.010 0.000 2.106 263 E HA -0.050 4.300 4.350 0.001 0.000 0.192 263 E C 1.960 178.565 176.600 0.008 0.000 0.984 263 E CA 1.333 57.739 56.400 0.009 0.000 0.806 263 E CB -0.331 29.375 29.700 0.010 0.000 0.750 263 E HN 0.480 nan 8.360 nan 0.000 0.458 264 A N 0.328 123.152 122.820 0.007 0.000 1.858 264 A HA -0.209 4.111 4.320 0.001 0.000 0.216 264 A C 2.434 180.022 177.584 0.006 0.000 1.190 264 A CA 1.975 54.016 52.037 0.006 0.000 0.617 264 A CB -1.270 17.732 19.000 0.004 0.000 0.827 264 A HN 0.365 nan 8.150 nan 0.000 0.443 265 S N -0.628 115.076 115.700 0.007 0.000 2.359 265 S HA -0.270 4.201 4.470 0.001 0.000 0.223 265 S C 2.182 176.787 174.600 0.007 0.000 1.039 265 S CA 1.819 60.023 58.200 0.007 0.000 1.042 265 S CB -0.415 62.789 63.200 0.008 0.000 0.915 265 S HN 0.572 nan 8.310 nan 0.000 0.439 266 R N 0.350 120.855 120.500 0.007 0.000 2.115 266 R HA -0.066 4.274 4.340 0.001 0.000 0.239 266 R C 2.184 178.488 176.300 0.007 0.000 1.133 266 R CA 2.126 58.230 56.100 0.007 0.000 0.935 266 R CB -0.267 30.038 30.300 0.008 0.000 0.853 266 R HN 0.406 nan 8.270 nan 0.000 0.433 267 R N -0.438 120.066 120.500 0.007 0.000 2.363 267 R HA 0.115 4.455 4.340 0.001 0.000 0.236 267 R C 0.654 176.958 176.300 0.007 0.000 0.966 267 R CA 0.470 56.574 56.100 0.007 0.000 1.100 267 R CB 0.484 30.788 30.300 0.008 0.000 1.125 267 R HN 0.452 nan 8.270 nan 0.000 0.514 268 G N 1.519 110.323 108.800 0.007 0.000 2.249 268 G HA2 -0.293 3.667 3.960 0.001 0.000 0.273 268 G HA3 -0.293 3.667 3.960 0.001 0.000 0.273 268 G C 0.145 175.048 174.900 0.006 0.000 1.036 268 G CA 0.169 45.273 45.100 0.006 0.000 0.824 268 G HN 0.301 nan 8.290 nan 0.000 0.504 269 I N -0.260 120.313 120.570 0.005 0.000 2.797 269 I HA 0.450 4.620 4.170 0.001 0.000 0.310 269 I C 0.497 176.613 176.117 -0.000 0.000 0.990 269 I CA -0.771 60.531 61.300 0.003 0.000 1.228 269 I CB 1.382 39.384 38.000 0.003 0.000 1.406 269 I HN 0.182 nan 8.210 nan 0.000 0.534 270 Q N 2.839 122.636 119.800 -0.005 0.000 2.932 270 Q HA 0.434 4.775 4.340 0.001 0.000 0.248 270 Q C -2.714 173.272 176.000 -0.023 0.000 0.982 270 Q CA -1.921 53.876 55.803 -0.010 0.000 0.730 270 Q CB 0.508 29.243 28.738 -0.006 0.000 1.249 270 Q HN 0.278 nan 8.270 nan 0.000 0.476 271 P HA 0.030 nan 4.420 nan 0.000 0.266 271 P C 0.615 177.877 177.300 -0.063 0.000 1.195 271 P CA -0.446 62.631 63.100 -0.038 0.000 0.768 271 P CB 0.763 32.450 31.700 -0.021 0.000 0.838 272 L N 1.145 122.305 121.223 -0.106 0.000 2.376 272 L HA 0.216 4.556 4.340 0.001 0.000 0.219 272 L C 1.308 178.119 176.870 -0.097 0.000 1.133 272 L CA 1.211 55.956 54.840 -0.159 0.000 0.816 272 L CB -1.504 40.383 42.059 -0.286 0.000 0.933 272 L HN 0.686 nan 8.230 nan 0.000 0.449 273 G N -1.205 107.563 108.800 -0.052 0.000 2.328 273 G HA2 0.395 4.355 3.960 0.001 0.000 0.295 273 G HA3 0.395 4.355 3.960 0.001 0.000 0.295 273 G C -1.391 173.515 174.900 0.010 0.000 1.413 273 G CA -0.930 44.164 45.100 -0.010 0.000 0.817 273 G HN -0.029 nan 8.290 nan 0.000 0.546 274 R N 0.097 120.622 120.500 0.041 0.000 2.513 274 R HA 0.595 4.936 4.340 0.001 0.000 0.301 274 R C -0.618 175.716 176.300 0.056 0.000 0.968 274 R CA -0.888 55.239 56.100 0.046 0.000 0.872 274 R CB 1.107 31.441 30.300 0.057 0.000 1.177 274 R HN 0.428 nan 8.270 nan 0.000 0.444 275 I N 6.750 127.345 120.570 0.042 0.000 2.389 275 I HA -0.012 4.159 4.170 0.001 0.000 0.295 275 I C 1.690 177.826 176.117 0.032 0.000 1.117 275 I CA -0.236 61.091 61.300 0.045 0.000 1.317 275 I CB 1.075 39.104 38.000 0.048 0.000 1.431 275 I HN 0.606 nan 8.210 nan 0.000 0.521 276 V N 2.588 122.498 119.914 -0.007 0.000 2.649 276 V HA 0.082 4.202 4.120 0.001 0.000 0.248 276 V C 0.841 176.863 176.094 -0.120 0.000 1.054 276 V CA 1.239 63.490 62.300 -0.083 0.000 1.073 276 V CB -0.371 31.337 31.823 -0.191 0.000 0.699 276 V HN 0.766 nan 8.190 nan 0.000 0.463 277 S N -1.216 114.429 115.700 -0.091 0.000 2.636 277 S HA 0.695 5.165 4.470 0.001 0.000 0.268 277 S C -1.341 173.331 174.600 0.120 0.000 1.159 277 S CA -0.274 57.891 58.200 -0.060 0.000 0.815 277 S CB 1.711 64.779 63.200 -0.220 0.000 1.130 277 S HN 1.377 nan 8.310 nan 0.000 0.471 278 W N -0.343 120.917 121.300 -0.066 0.000 2.989 278 W HA 0.787 5.447 4.660 0.001 0.000 0.344 278 W C -2.162 174.345 176.519 -0.020 0.000 1.233 278 W CA -0.769 56.557 57.345 -0.031 0.000 1.187 278 W CB 0.877 30.330 29.460 -0.013 0.000 1.443 278 W HN 1.513 nan 8.180 nan 0.000 0.573 279 A N 1.350 124.132 122.820 -0.064 0.000 2.577 279 A HA 0.623 4.943 4.320 0.001 0.000 0.297 279 A C -1.642 175.998 177.584 0.093 0.000 1.060 279 A CA -0.335 51.469 52.037 -0.388 0.000 0.697 279 A CB 1.676 20.529 19.000 -0.245 0.000 1.281 279 A HN 0.759 nan 8.150 nan 0.000 0.402 280 T N 0.761 115.354 114.554 0.065 0.000 2.876 280 T HA 0.710 5.060 4.350 0.001 0.000 0.289 280 T C -1.149 173.595 174.700 0.074 0.000 1.014 280 T CA -0.275 61.946 62.100 0.201 0.000 0.986 280 T CB 1.008 70.096 68.868 0.367 0.000 1.021 280 T HN 1.302 nan 8.240 nan 0.000 0.458 281 V N 2.496 122.453 119.914 0.071 0.000 3.049 281 V HA 0.839 4.959 4.120 0.001 0.000 0.309 281 V C 0.702 176.826 176.094 0.051 0.000 1.148 281 V CA -1.097 61.227 62.300 0.040 0.000 0.990 281 V CB 2.046 33.879 31.823 0.016 0.000 1.039 281 V HN 1.057 nan 8.190 nan 0.000 0.430 282 G N 0.636 109.458 108.800 0.037 0.000 2.412 282 G HA2 0.762 4.723 3.960 0.001 0.000 0.318 282 G HA3 0.762 4.723 3.960 0.001 0.000 0.318 282 G C -0.603 174.311 174.900 0.025 0.000 1.146 282 G CA -0.191 44.931 45.100 0.036 0.000 0.882 282 G HN 1.435 nan 8.290 nan 0.000 0.501 283 V N -1.688 118.241 119.914 0.026 0.000 3.206 283 V HA 0.606 4.727 4.120 0.001 0.000 0.305 283 V C -0.904 175.195 176.094 0.009 0.000 1.257 283 V CA -1.305 61.007 62.300 0.020 0.000 1.057 283 V CB 1.850 33.693 31.823 0.034 0.000 1.075 283 V HN 0.595 nan 8.190 nan 0.000 0.443 284 D N 1.799 122.200 120.400 0.001 0.000 2.417 284 D HA 0.302 4.943 4.640 0.001 0.000 0.250 284 D C -1.690 174.608 176.300 -0.004 0.000 1.166 284 D CA -1.384 52.609 54.000 -0.012 0.000 0.881 284 D CB 1.917 42.706 40.800 -0.019 0.000 1.164 284 D HN 0.402 nan 8.370 nan 0.000 0.467 285 P HA -0.146 nan 4.420 nan 0.000 0.216 285 P C 1.098 178.403 177.300 0.007 0.000 1.150 285 P CA 1.351 64.495 63.100 0.073 0.000 0.837 285 P CB 0.242 32.069 31.700 0.212 0.000 0.786 286 K N -0.419 119.889 120.400 -0.152 0.000 2.113 286 K HA -0.087 4.233 4.320 0.001 0.000 0.208 286 K C 0.957 177.505 176.600 -0.087 0.000 1.047 286 K CA 1.627 57.793 56.287 -0.202 0.000 0.928 286 K CB -0.437 31.881 32.500 -0.303 0.000 0.716 286 K HN 0.184 nan 8.250 nan 0.000 0.446 287 V N -0.799 119.085 119.914 -0.049 0.000 2.666 287 V HA 0.139 4.259 4.120 0.001 0.000 0.306 287 V C 0.817 176.921 176.094 0.016 0.000 1.156 287 V CA -0.570 61.719 62.300 -0.018 0.000 1.274 287 V CB 0.216 32.042 31.823 0.005 0.000 1.536 287 V HN 0.133 nan 8.190 nan 0.000 0.640 288 M N 0.701 120.316 119.600 0.026 0.000 2.267 288 M HA 0.177 4.658 4.480 0.001 0.000 0.263 288 M C 1.769 178.108 176.300 0.064 0.000 1.063 288 M CA 2.497 57.830 55.300 0.056 0.000 1.090 288 M CB -1.315 31.332 32.600 0.078 0.000 1.392 288 M HN 0.350 nan 8.290 nan 0.000 0.422 289 G N 0.134 108.966 108.800 0.054 0.000 2.498 289 G HA2 -0.148 3.812 3.960 0.001 0.000 0.219 289 G HA3 -0.148 3.812 3.960 0.001 0.000 0.219 289 G C 1.572 176.496 174.900 0.040 0.000 1.119 289 G CA 1.194 46.333 45.100 0.066 0.000 0.766 289 G HN 0.704 nan 8.290 nan 0.000 0.552 290 T N -2.148 112.430 114.554 0.041 0.000 3.100 290 T HA 0.255 4.606 4.350 0.001 0.000 0.253 290 T C 2.341 177.067 174.700 0.043 0.000 1.118 290 T CA 1.004 63.127 62.100 0.037 0.000 1.058 290 T CB 0.078 69.001 68.868 0.092 0.000 0.953 290 T HN 0.206 nan 8.240 nan 0.000 0.515 291 G N 3.201 112.033 108.800 0.054 0.000 2.783 291 G HA2 -0.271 3.689 3.960 0.001 0.000 0.225 291 G HA3 -0.271 3.689 3.960 0.001 0.000 0.225 291 G C -0.550 174.385 174.900 0.058 0.000 1.191 291 G CA 1.304 46.441 45.100 0.060 0.000 0.774 291 G HN 0.486 nan 8.290 nan 0.000 0.632 292 P HA -0.025 nan 4.420 nan 0.000 0.224 292 P C 1.667 178.994 177.300 0.046 0.000 1.142 292 P CA 0.685 63.834 63.100 0.082 0.000 0.778 292 P CB -0.061 31.702 31.700 0.104 0.000 0.764 293 I N 0.459 121.032 120.570 0.004 0.000 2.130 293 I HA -0.083 4.088 4.170 0.001 0.000 0.234 293 I C -0.468 175.638 176.117 -0.017 0.000 1.067 293 I CA 1.407 62.683 61.300 -0.040 0.000 1.339 293 I CB -1.900 36.080 38.000 -0.034 0.000 1.073 293 I HN -0.022 nan 8.210 nan 0.000 0.405 294 P HA -0.170 nan 4.420 nan 0.000 0.216 294 P C 1.322 178.626 177.300 0.007 0.000 1.150 294 P CA 1.945 65.046 63.100 0.002 0.000 0.837 294 P CB -0.089 31.616 31.700 0.008 0.000 0.786 295 A N -0.020 122.818 122.820 0.029 0.000 1.873 295 A HA -0.124 4.197 4.320 0.001 0.000 0.215 295 A C 2.447 180.061 177.584 0.050 0.000 1.186 295 A CA 2.051 54.114 52.037 0.044 0.000 0.616 295 A CB -1.488 17.562 19.000 0.084 0.000 0.823 295 A HN 0.159 nan 8.150 nan 0.000 0.442 296 S N -0.671 115.074 115.700 0.074 0.000 2.447 296 S HA -0.081 4.390 4.470 0.001 0.000 0.233 296 S C 1.962 176.602 174.600 0.066 0.000 1.006 296 S CA 1.165 59.433 58.200 0.113 0.000 0.957 296 S CB -0.209 63.100 63.200 0.183 0.000 0.773 296 S HN 0.577 nan 8.310 nan 0.000 0.507 297 R N 0.659 121.169 120.500 0.016 0.000 2.161 297 R HA 0.168 4.508 4.340 0.001 0.000 0.213 297 R C 2.257 178.547 176.300 -0.016 0.000 1.055 297 R CA 0.461 56.560 56.100 -0.001 0.000 0.996 297 R CB -0.012 30.276 30.300 -0.021 0.000 0.901 297 R HN 0.058 nan 8.270 nan 0.000 0.456 298 K N 1.163 121.544 120.400 -0.031 0.000 2.007 298 K HA 0.031 4.352 4.320 0.001 0.000 0.206 298 K C 1.977 178.519 176.600 -0.097 0.000 1.047 298 K CA 1.405 57.650 56.287 -0.072 0.000 0.937 298 K CB -0.318 32.126 32.500 -0.094 0.000 0.718 298 K HN 0.087 nan 8.250 nan 0.000 0.438 299 A N 1.726 124.501 122.820 -0.076 0.000 1.896 299 A HA -0.230 4.090 4.320 0.001 0.000 0.220 299 A C 2.418 179.939 177.584 -0.106 0.000 1.206 299 A CA 2.046 54.035 52.037 -0.080 0.000 0.647 299 A CB -0.939 18.068 19.000 0.012 0.000 0.828 299 A HN 0.334 nan 8.150 nan 0.000 0.455 300 L N -1.310 119.892 121.223 -0.034 0.000 2.109 300 L HA -0.147 4.194 4.340 0.001 0.000 0.207 300 L C 2.685 179.527 176.870 -0.046 0.000 1.086 300 L CA 1.540 56.378 54.840 -0.003 0.000 0.760 300 L CB -0.383 41.745 42.059 0.116 0.000 0.910 300 L HN 0.643 nan 8.230 nan 0.000 0.437 301 E N 0.406 120.578 120.200 -0.047 0.000 2.051 301 E HA -0.234 4.116 4.350 0.001 0.000 0.192 301 E C 2.330 178.870 176.600 -0.100 0.000 0.991 301 E CA 1.054 57.422 56.400 -0.053 0.000 0.799 301 E CB 0.108 29.778 29.700 -0.050 0.000 0.748 301 E HN 0.368 nan 8.360 nan 0.000 0.449 302 R N -0.154 120.260 120.500 -0.144 0.000 2.096 302 R HA -0.113 4.227 4.340 0.001 0.000 0.235 302 R C 2.316 178.486 176.300 -0.218 0.000 1.127 302 R CA 1.155 57.150 56.100 -0.175 0.000 0.968 302 R CB -0.246 29.925 30.300 -0.215 0.000 0.861 302 R HN 0.177 nan 8.270 nan 0.000 0.440 303 A N -0.233 122.387 122.820 -0.333 0.000 2.016 303 A HA 0.133 4.453 4.320 0.001 0.000 0.217 303 A C 1.516 178.847 177.584 -0.421 0.000 1.162 303 A CA 1.167 52.864 52.037 -0.566 0.000 0.662 303 A CB -0.066 18.219 19.000 -1.193 0.000 0.812 303 A HN 0.470 nan 8.150 nan 0.000 0.450 304 G N -3.290 105.384 108.800 -0.209 0.000 2.130 304 G HA2 -0.187 3.773 3.960 0.001 0.000 0.216 304 G HA3 -0.187 3.773 3.960 0.001 0.000 0.216 304 G C -0.347 174.696 174.900 0.238 0.000 0.999 304 G CA 0.032 45.137 45.100 0.009 0.000 0.686 304 G HN 0.331 nan 8.290 nan 0.000 0.515 305 W N 0.816 122.130 121.300 0.023 0.000 2.512 305 W HA 0.718 5.378 4.660 0.001 0.000 0.335 305 W C 0.624 177.163 176.519 0.033 0.000 1.088 305 W CA -1.671 55.693 57.345 0.031 0.000 1.236 305 W CB 0.781 30.267 29.460 0.043 0.000 1.307 305 W HN 0.016 nan 8.180 nan 0.000 0.567 306 K N 1.747 122.297 120.400 0.250 0.000 2.098 306 K HA 0.281 4.602 4.320 0.001 0.000 0.257 306 K C 1.309 178.014 176.600 0.176 0.000 0.999 306 K CA -0.636 55.746 56.287 0.157 0.000 0.924 306 K CB 1.303 33.860 32.500 0.095 0.000 1.028 306 K HN 0.318 nan 8.250 nan 0.000 0.466 307 I N 1.155 121.813 120.570 0.147 0.000 2.335 307 I HA -0.227 3.944 4.170 0.001 0.000 0.251 307 I C 1.954 178.175 176.117 0.174 0.000 1.129 307 I CA 1.509 62.920 61.300 0.184 0.000 1.402 307 I CB -0.318 37.751 38.000 0.116 0.000 1.069 307 I HN 0.893 nan 8.210 nan 0.000 0.424 308 G N -0.209 108.656 108.800 0.108 0.000 2.679 308 G HA2 -0.149 3.812 3.960 0.001 0.000 0.212 308 G HA3 -0.149 3.812 3.960 0.001 0.000 0.212 308 G C 1.088 176.003 174.900 0.025 0.000 1.137 308 G CA 0.300 45.444 45.100 0.073 0.000 0.787 308 G HN 0.306 nan 8.290 nan 0.000 0.534 309 D N 0.303 120.702 120.400 -0.001 0.000 2.289 309 D HA 0.033 4.674 4.640 0.001 0.000 0.207 309 D C 1.267 177.465 176.300 -0.171 0.000 0.966 309 D CA 0.037 53.961 54.000 -0.127 0.000 0.868 309 D CB 0.202 40.855 40.800 -0.247 0.000 0.943 309 D HN 0.251 nan 8.370 nan 0.000 0.514 310 L N 1.634 122.830 121.223 -0.044 0.000 2.453 310 L HA 0.027 4.367 4.340 0.001 0.000 0.272 310 L C 1.240 178.077 176.870 -0.055 0.000 1.182 310 L CA 0.064 54.884 54.840 -0.033 0.000 0.858 310 L CB 0.721 42.841 42.059 0.100 0.000 1.120 310 L HN -0.206 nan 8.230 nan 0.000 0.474 311 D N 2.187 122.536 120.400 -0.084 0.000 2.388 311 D HA 0.232 4.872 4.640 0.001 0.000 0.208 311 D C -0.163 176.096 176.300 -0.069 0.000 1.035 311 D CA 0.632 54.589 54.000 -0.073 0.000 0.875 311 D CB 1.012 41.763 40.800 -0.081 0.000 0.984 311 D HN 0.168 nan 8.370 nan 0.000 0.508 312 L N 0.352 121.530 121.223 -0.076 0.000 2.545 312 L HA 0.301 4.642 4.340 0.001 0.000 0.258 312 L C -1.798 174.992 176.870 -0.133 0.000 0.942 312 L CA -0.629 54.153 54.840 -0.098 0.000 0.855 312 L CB 2.476 44.497 42.059 -0.062 0.000 1.374 312 L HN -0.337 nan 8.230 nan 0.000 0.411 313 V N 2.685 122.467 119.914 -0.219 0.000 2.686 313 V HA 0.594 4.715 4.120 0.001 0.000 0.306 313 V C -0.934 175.023 176.094 -0.227 0.000 1.065 313 V CA -0.750 61.361 62.300 -0.316 0.000 0.894 313 V CB 1.990 33.360 31.823 -0.755 0.000 1.004 313 V HN 0.616 nan 8.190 nan 0.000 0.424 314 E N 3.103 123.220 120.200 -0.139 0.000 2.092 314 E HA 0.642 4.992 4.350 0.001 0.000 0.271 314 E C -0.377 176.185 176.600 -0.063 0.000 0.919 314 E CA -0.285 56.070 56.400 -0.075 0.000 0.760 314 E CB 2.047 31.739 29.700 -0.013 0.000 1.106 314 E HN 0.809 nan 8.360 nan 0.000 0.408 315 A N 4.320 127.113 122.820 -0.046 0.000 2.328 315 A HA 0.254 4.575 4.320 0.001 0.000 0.318 315 A C 0.170 177.792 177.584 0.064 0.000 1.347 315 A CA -0.810 51.260 52.037 0.053 0.000 0.842 315 A CB 0.134 19.222 19.000 0.147 0.000 1.148 315 A HN 0.474 nan 8.150 nan 0.000 0.499 316 N N 1.873 120.596 118.700 0.038 0.000 2.151 316 N HA -0.095 4.646 4.740 0.001 0.000 0.265 316 N C -0.093 175.408 175.510 -0.015 0.000 1.254 316 N CA 0.997 54.035 53.050 -0.020 0.000 0.823 316 N CB 0.359 38.820 38.487 -0.044 0.000 1.061 316 N HN 0.644 nan 8.380 nan 0.000 0.472 317 E N 2.476 122.641 120.200 -0.058 0.000 2.206 317 E HA 0.245 4.595 4.350 0.001 0.000 0.244 317 E C 0.440 176.933 176.600 -0.178 0.000 1.055 317 E CA -0.481 55.917 56.400 -0.003 0.000 0.970 317 E CB 0.320 30.096 29.700 0.127 0.000 1.256 317 E HN 0.657 nan 8.360 nan 0.000 0.456 318 A N 2.965 125.676 122.820 -0.182 0.000 1.858 318 A HA -0.059 4.262 4.320 0.001 0.000 0.216 318 A C 0.371 177.567 177.584 -0.647 0.000 1.190 318 A CA 1.241 53.084 52.037 -0.324 0.000 0.617 318 A CB 0.018 19.028 19.000 0.017 0.000 0.827 318 A HN 0.427 nan 8.150 nan 0.000 0.443 319 F N -4.559 115.420 119.950 0.049 0.000 2.613 319 F HA 0.592 5.119 4.527 0.001 0.000 0.310 319 F C 1.037 176.844 175.800 0.011 0.000 1.085 319 F CA -0.424 57.611 58.000 0.058 0.000 0.945 319 F CB 1.649 40.674 39.000 0.043 0.000 1.298 319 F HN 0.059 nan 8.300 nan 0.000 0.455 320 A N 1.076 124.035 122.820 0.231 0.000 1.972 320 A HA 0.060 4.381 4.320 0.001 0.000 0.219 320 A C 2.111 179.635 177.584 -0.101 0.000 1.169 320 A CA 1.929 54.011 52.037 0.076 0.000 0.635 320 A CB -0.993 18.131 19.000 0.207 0.000 0.810 320 A HN 0.883 nan 8.150 nan 0.000 0.446 321 A N 0.452 123.283 122.820 0.019 0.000 1.845 321 A HA -0.192 4.128 4.320 0.001 0.000 0.215 321 A C 2.170 179.683 177.584 -0.118 0.000 1.195 321 A CA 2.117 54.126 52.037 -0.046 0.000 0.616 321 A CB -0.710 18.277 19.000 -0.022 0.000 0.832 321 A HN 0.667 nan 8.150 nan 0.000 0.443 322 Q N 0.059 119.828 119.800 -0.052 0.000 2.079 322 Q HA 0.156 4.496 4.340 0.001 0.000 0.200 322 Q C 1.909 177.803 176.000 -0.176 0.000 0.974 322 Q CA 2.103 57.854 55.803 -0.087 0.000 0.840 322 Q CB -1.105 27.653 28.738 0.033 0.000 0.898 322 Q HN 0.482 nan 8.270 nan 0.000 0.430 323 A N 0.683 123.390 122.820 -0.187 0.000 1.883 323 A HA -0.201 4.119 4.320 0.001 0.000 0.217 323 A C 2.404 179.751 177.584 -0.395 0.000 1.186 323 A CA 1.551 53.438 52.037 -0.250 0.000 0.624 323 A CB -1.297 17.525 19.000 -0.296 0.000 0.822 323 A HN 0.619 nan 8.150 nan 0.000 0.444 324 C N -1.098 117.840 119.300 -0.604 0.000 2.413 324 C HA 0.008 4.468 4.460 0.001 0.000 0.276 324 C C 3.324 178.059 174.990 -0.425 0.000 1.248 324 C CA 0.892 59.612 59.018 -0.496 0.000 1.742 324 C CB -1.392 26.094 27.740 -0.423 0.000 2.017 324 C HN 0.703 nan 8.230 nan 0.000 0.481 325 A N -0.157 122.342 122.820 -0.535 0.000 1.969 325 A HA -0.059 4.261 4.320 0.001 0.000 0.218 325 A C 2.263 179.310 177.584 -0.895 0.000 1.169 325 A CA 1.842 53.278 52.037 -1.001 0.000 0.635 325 A CB -0.577 17.737 19.000 -1.144 0.000 0.810 325 A HN 0.378 nan 8.150 nan 0.000 0.445 326 V N 0.895 120.523 119.914 -0.476 0.000 2.358 326 V HA -0.217 3.904 4.120 0.001 0.000 0.246 326 V C 2.145 178.059 176.094 -0.301 0.000 1.047 326 V CA 2.128 64.245 62.300 -0.305 0.000 1.035 326 V CB -0.855 30.916 31.823 -0.087 0.000 0.658 326 V HN 0.549 nan 8.190 nan 0.000 0.452 327 N N -0.044 118.561 118.700 -0.159 0.000 2.331 327 N HA -0.114 4.626 4.740 0.001 0.000 0.180 327 N C 1.755 177.161 175.510 -0.173 0.000 1.019 327 N CA 0.941 53.986 53.050 -0.008 0.000 0.881 327 N CB -0.256 38.377 38.487 0.244 0.000 0.972 327 N HN 0.453 nan 8.380 nan 0.000 0.435 328 K N 0.796 121.038 120.400 -0.264 0.000 2.057 328 K HA -0.076 4.244 4.320 0.001 0.000 0.206 328 K C 1.592 178.068 176.600 -0.206 0.000 1.050 328 K CA 1.186 57.339 56.287 -0.225 0.000 0.935 328 K CB 0.042 32.356 32.500 -0.310 0.000 0.715 328 K HN 0.104 nan 8.250 nan 0.000 0.439 329 D N 0.070 120.261 120.400 -0.348 0.000 2.103 329 D HA -0.107 4.533 4.640 0.001 0.000 0.199 329 D C 1.860 178.029 176.300 -0.219 0.000 0.978 329 D CA 0.990 54.896 54.000 -0.157 0.000 0.829 329 D CB 0.221 40.934 40.800 -0.145 0.000 0.981 329 D HN 0.197 nan 8.370 nan 0.000 0.464 330 L N -0.227 120.727 121.223 -0.448 0.000 2.240 330 L HA 0.065 4.406 4.340 0.001 0.000 0.211 330 L C 1.847 178.420 176.870 -0.494 0.000 1.106 330 L CA 0.815 55.270 54.840 -0.641 0.000 0.793 330 L CB -0.223 41.015 42.059 -1.369 0.000 0.927 330 L HN 0.232 nan 8.230 nan 0.000 0.446 331 G N -0.432 108.143 108.800 -0.376 0.000 2.148 331 G HA2 -0.261 3.700 3.960 0.001 0.000 0.254 331 G HA3 -0.261 3.700 3.960 0.001 0.000 0.254 331 G C -0.098 174.814 174.900 0.020 0.000 0.981 331 G CA 0.199 45.224 45.100 -0.125 0.000 0.670 331 G HN 0.376 nan 8.290 nan 0.000 0.528 332 W N 0.623 121.934 121.300 0.018 0.000 2.150 332 W HA 0.654 5.315 4.660 0.001 0.000 0.341 332 W C 0.018 176.550 176.519 0.021 0.000 1.276 332 W CA -2.535 54.823 57.345 0.022 0.000 1.238 332 W CB 0.328 29.805 29.460 0.028 0.000 1.128 332 W HN 0.054 nan 8.180 nan 0.000 0.581 333 D N 4.069 124.633 120.400 0.274 0.000 2.451 333 D HA -0.022 4.618 4.640 0.001 0.000 0.254 333 D C -0.967 175.404 176.300 0.119 0.000 1.204 333 D CA -1.084 53.007 54.000 0.150 0.000 0.896 333 D CB 1.194 42.042 40.800 0.081 0.000 1.136 333 D HN 0.162 nan 8.370 nan 0.000 0.499 334 P HA -0.131 nan 4.420 nan 0.000 0.225 334 P C 1.088 178.406 177.300 0.029 0.000 1.148 334 P CA 0.692 63.857 63.100 0.108 0.000 0.779 334 P CB 0.059 31.840 31.700 0.136 0.000 0.780 335 S N -0.315 115.395 115.700 0.017 0.000 2.607 335 S HA -0.039 4.431 4.470 0.001 0.000 0.224 335 S C 1.683 176.260 174.600 -0.038 0.000 0.969 335 S CA 0.332 58.524 58.200 -0.012 0.000 0.927 335 S CB -1.379 61.819 63.200 -0.004 0.000 0.772 335 S HN 0.361 nan 8.310 nan 0.000 0.533 336 I N -1.942 118.592 120.570 -0.059 0.000 4.018 336 I HA 0.454 4.624 4.170 0.001 0.000 0.337 336 I C -0.449 175.569 176.117 -0.165 0.000 1.327 336 I CA -0.485 60.756 61.300 -0.099 0.000 1.100 336 I CB 0.558 38.502 38.000 -0.094 0.000 1.025 336 I HN -0.042 nan 8.210 nan 0.000 0.396 337 V N 3.577 123.385 119.914 -0.177 0.000 2.432 337 V HA 0.285 4.405 4.120 0.001 0.000 0.275 337 V C -0.002 176.025 176.094 -0.112 0.000 1.043 337 V CA -0.410 61.757 62.300 -0.223 0.000 0.925 337 V CB 0.371 32.072 31.823 -0.204 0.000 0.985 337 V HN 0.566 nan 8.190 nan 0.000 0.466 338 N N 2.884 121.525 118.700 -0.100 0.000 2.696 338 N HA -0.149 4.591 4.740 0.001 0.000 0.256 338 N C 0.614 176.093 175.510 -0.052 0.000 1.031 338 N CA 0.848 53.867 53.050 -0.051 0.000 0.730 338 N CB -0.927 37.542 38.487 -0.030 0.000 0.894 338 N HN 0.485 nan 8.380 nan 0.000 0.544 339 V N -0.143 119.741 119.914 -0.049 0.000 2.667 339 V HA -0.108 4.013 4.120 0.001 0.000 0.252 339 V C 1.149 177.214 176.094 -0.048 0.000 1.065 339 V CA 1.486 63.753 62.300 -0.055 0.000 1.083 339 V CB -0.015 31.774 31.823 -0.057 0.000 0.692 339 V HN 0.469 nan 8.190 nan 0.000 0.468 340 N N 0.669 119.364 118.700 -0.009 0.000 2.453 340 N HA 0.365 5.105 4.740 0.001 0.000 0.270 340 N C 0.490 176.094 175.510 0.157 0.000 1.195 340 N CA 0.863 53.925 53.050 0.020 0.000 0.902 340 N CB 0.571 39.041 38.487 -0.029 0.000 1.186 340 N HN 0.501 nan 8.380 nan 0.000 0.510 341 G N -0.916 107.909 108.800 0.042 0.000 2.760 341 G HA2 0.031 3.991 3.960 0.001 0.000 0.246 341 G HA3 0.031 3.991 3.960 0.001 0.000 0.246 341 G C -0.153 174.748 174.900 0.002 0.000 1.359 341 G CA -0.550 44.554 45.100 0.008 0.000 0.861 341 G HN 0.527 nan 8.290 nan 0.000 0.541 342 G N -2.619 106.162 108.800 -0.032 0.000 3.105 342 G HA2 0.817 4.778 3.960 0.001 0.000 0.277 342 G HA3 0.817 4.778 3.960 0.001 0.000 0.277 342 G C 1.028 175.912 174.900 -0.026 0.000 1.375 342 G CA 0.960 46.047 45.100 -0.021 0.000 0.962 342 G HN 1.994 nan 8.290 nan 0.000 0.541 343 A N -0.806 121.983 122.820 -0.051 0.000 2.067 343 A HA 0.093 4.413 4.320 0.001 0.000 0.219 343 A C 2.240 179.824 177.584 -0.001 0.000 1.158 343 A CA 1.105 53.089 52.037 -0.088 0.000 0.661 343 A CB -0.510 18.321 19.000 -0.282 0.000 0.801 343 A HN 0.512 nan 8.150 nan 0.000 0.452 344 I N -0.473 120.111 120.570 0.022 0.000 2.286 344 I HA -0.293 3.878 4.170 0.001 0.000 0.248 344 I C 2.801 178.981 176.117 0.104 0.000 1.115 344 I CA 1.183 62.532 61.300 0.081 0.000 1.392 344 I CB -0.120 37.928 38.000 0.079 0.000 1.065 344 I HN 0.375 nan 8.210 nan 0.000 0.418 345 A N 0.153 122.995 122.820 0.038 0.000 1.911 345 A HA 0.073 4.394 4.320 0.001 0.000 0.212 345 A C 2.192 179.834 177.584 0.097 0.000 1.189 345 A CA 0.884 52.911 52.037 -0.016 0.000 0.639 345 A CB -0.343 18.625 19.000 -0.053 0.000 0.839 345 A HN 0.322 nan 8.150 nan 0.000 0.449 346 I N -1.583 119.050 120.570 0.105 0.000 2.731 346 I HA 0.307 4.477 4.170 0.001 0.000 0.260 346 I C 1.164 177.348 176.117 0.113 0.000 1.138 346 I CA 1.047 62.374 61.300 0.046 0.000 1.461 346 I CB 0.342 38.276 38.000 -0.110 0.000 1.128 346 I HN 0.477 nan 8.210 nan 0.000 0.438 347 G N -0.182 108.671 108.800 0.087 0.000 2.334 347 G HA2 -0.033 3.927 3.960 0.001 0.000 0.566 347 G HA3 -0.033 3.927 3.960 0.001 0.000 0.566 347 G C -1.429 173.440 174.900 -0.052 0.000 1.413 347 G CA -0.830 44.191 45.100 -0.132 0.000 0.993 347 G HN 0.135 nan 8.290 nan 0.000 0.642 348 H N 1.243 120.190 119.070 -0.205 0.000 2.380 348 H HA 0.501 5.057 4.556 0.001 0.000 0.231 348 H C -2.404 172.843 175.328 -0.135 0.000 1.415 348 H CA -2.047 53.913 56.048 -0.146 0.000 1.433 348 H CB 1.410 31.076 29.762 -0.158 0.000 1.544 348 H HN 0.387 nan 8.280 nan 0.000 0.503 349 P HA 0.107 nan 4.420 nan 0.000 0.274 349 P C 1.333 178.585 177.300 -0.081 0.000 1.470 349 P CA -0.176 62.892 63.100 -0.054 0.000 1.001 349 P CB 0.240 31.927 31.700 -0.021 0.000 1.332 350 I N 2.048 122.510 120.570 -0.180 0.000 2.113 350 I HA -0.246 3.924 4.170 0.001 0.000 0.242 350 I C 2.457 178.505 176.117 -0.115 0.000 1.064 350 I CA 2.084 63.235 61.300 -0.249 0.000 1.320 350 I CB -1.685 36.160 38.000 -0.258 0.000 1.028 350 I HN 0.250 nan 8.210 nan 0.000 0.406 351 G N 0.534 109.284 108.800 -0.084 0.000 2.418 351 G HA2 -0.146 3.815 3.960 0.001 0.000 0.217 351 G HA3 -0.146 3.815 3.960 0.001 0.000 0.217 351 G C 1.798 176.671 174.900 -0.045 0.000 1.158 351 G CA 0.861 45.925 45.100 -0.059 0.000 0.771 351 G HN 0.559 nan 8.290 nan 0.000 0.545 352 A N 0.241 123.038 122.820 -0.039 0.000 2.119 352 A HA 0.236 4.557 4.320 0.001 0.000 0.216 352 A C 2.557 180.145 177.584 0.005 0.000 1.152 352 A CA 1.678 53.700 52.037 -0.025 0.000 0.708 352 A CB -0.315 18.667 19.000 -0.029 0.000 0.805 352 A HN 0.271 nan 8.150 nan 0.000 0.460 353 S N -0.214 115.508 115.700 0.037 0.000 2.370 353 S HA -0.103 4.368 4.470 0.001 0.000 0.226 353 S C 2.051 176.689 174.600 0.064 0.000 1.033 353 S CA 1.338 59.596 58.200 0.097 0.000 1.011 353 S CB -0.445 62.916 63.200 0.269 0.000 0.852 353 S HN 0.761 nan 8.310 nan 0.000 0.457 354 G N 0.525 109.355 108.800 0.050 0.000 2.408 354 G HA2 0.002 3.963 3.960 0.001 0.000 0.217 354 G HA3 0.002 3.963 3.960 0.001 0.000 0.217 354 G C 1.322 176.236 174.900 0.023 0.000 1.150 354 G CA 0.842 45.964 45.100 0.037 0.000 0.776 354 G HN 0.579 nan 8.290 nan 0.000 0.542 355 A N -0.330 122.496 122.820 0.009 0.000 2.195 355 A HA 0.295 4.615 4.320 0.001 0.000 0.210 355 A C 2.245 179.845 177.584 0.027 0.000 1.165 355 A CA 0.711 52.753 52.037 0.010 0.000 0.806 355 A CB -0.171 18.822 19.000 -0.012 0.000 0.847 355 A HN 0.197 nan 8.150 nan 0.000 0.482 356 R N 1.009 121.523 120.500 0.024 0.000 2.073 356 R HA -0.069 4.272 4.340 0.001 0.000 0.229 356 R C 1.891 178.213 176.300 0.038 0.000 1.120 356 R CA 1.942 58.057 56.100 0.024 0.000 0.967 356 R CB -0.554 29.752 30.300 0.011 0.000 0.862 356 R HN 0.718 nan 8.270 nan 0.000 0.436 357 I N -2.027 118.564 120.570 0.035 0.000 2.617 357 I HA -0.104 4.066 4.170 0.001 0.000 0.256 357 I C 2.235 178.388 176.117 0.059 0.000 1.167 357 I CA 0.736 62.062 61.300 0.043 0.000 1.469 357 I CB -0.341 37.675 38.000 0.027 0.000 1.098 357 I HN 0.018 nan 8.210 nan 0.000 0.436 358 L N 1.683 122.939 121.223 0.054 0.000 2.042 358 L HA -0.228 4.113 4.340 0.001 0.000 0.210 358 L C 2.402 179.326 176.870 0.091 0.000 1.076 358 L CA 1.968 56.842 54.840 0.057 0.000 0.749 358 L CB -0.741 41.341 42.059 0.037 0.000 0.893 358 L HN 0.477 nan 8.230 nan 0.000 0.432 359 N N -0.948 117.827 118.700 0.126 0.000 2.084 359 N HA -0.173 4.567 4.740 0.001 0.000 0.190 359 N C 1.545 177.240 175.510 0.307 0.000 1.030 359 N CA 2.080 55.278 53.050 0.246 0.000 0.849 359 N CB -0.071 38.550 38.487 0.223 0.000 1.012 359 N HN 0.369 nan 8.380 nan 0.000 0.423 360 T N 1.670 116.346 114.554 0.202 0.000 2.833 360 T HA -0.104 4.246 4.350 0.001 0.000 0.269 360 T C 1.925 176.730 174.700 0.175 0.000 1.054 360 T CA 0.592 62.819 62.100 0.212 0.000 1.135 360 T CB -0.102 68.870 68.868 0.174 0.000 0.869 360 T HN 0.116 nan 8.240 nan 0.000 0.466 361 L N 0.275 121.569 121.223 0.119 0.000 2.127 361 L HA 0.260 4.600 4.340 0.001 0.000 0.203 361 L C 2.060 178.963 176.870 0.056 0.000 1.080 361 L CA 1.262 56.142 54.840 0.067 0.000 0.768 361 L CB -0.379 41.704 42.059 0.040 0.000 0.924 361 L HN 0.185 nan 8.230 nan 0.000 0.444 362 L N -1.549 119.702 121.223 0.047 0.000 2.046 362 L HA -0.191 4.149 4.340 0.001 0.000 0.208 362 L C 2.244 179.046 176.870 -0.113 0.000 1.077 362 L CA 1.355 56.157 54.840 -0.064 0.000 0.747 362 L CB -0.488 41.478 42.059 -0.155 0.000 0.896 362 L HN 0.199 nan 8.230 nan 0.000 0.432 363 F N -0.185 119.781 119.950 0.026 0.000 2.367 363 F HA -0.128 4.400 4.527 0.001 0.000 0.298 363 F C 2.537 178.340 175.800 0.006 0.000 1.094 363 F CA 0.965 58.978 58.000 0.022 0.000 1.409 363 F CB -0.067 38.955 39.000 0.037 0.000 1.064 363 F HN 0.047 nan 8.300 nan 0.000 0.528 364 E N 0.074 120.372 120.200 0.164 0.000 2.216 364 E HA -0.107 4.243 4.350 0.001 0.000 0.192 364 E C 2.046 178.663 176.600 0.028 0.000 0.988 364 E CA 0.986 57.429 56.400 0.072 0.000 0.834 364 E CB -0.222 29.504 29.700 0.044 0.000 0.772 364 E HN 0.337 nan 8.360 nan 0.000 0.479 365 M N -0.236 119.373 119.600 0.016 0.000 2.175 365 M HA -0.088 4.392 4.480 0.001 0.000 0.264 365 M C 2.227 178.518 176.300 -0.014 0.000 1.063 365 M CA 1.338 56.633 55.300 -0.009 0.000 1.119 365 M CB -0.052 32.538 32.600 -0.016 0.000 1.377 365 M HN -0.033 nan 8.290 nan 0.000 0.415 366 K N 0.509 120.899 120.400 -0.017 0.000 2.026 366 K HA -0.192 4.128 4.320 0.001 0.000 0.208 366 K C 2.002 178.611 176.600 0.015 0.000 1.048 366 K CA 1.432 57.712 56.287 -0.012 0.000 0.929 366 K CB -0.077 32.409 32.500 -0.023 0.000 0.713 366 K HN 0.159 nan 8.250 nan 0.000 0.439 367 R N 0.646 121.167 120.500 0.036 0.000 2.323 367 R HA -0.028 4.312 4.340 0.001 0.000 0.198 367 R C 1.131 177.431 176.300 0.001 0.000 0.988 367 R CA 0.851 56.967 56.100 0.027 0.000 1.041 367 R CB 0.140 30.463 30.300 0.038 0.000 0.926 367 R HN 0.229 nan 8.270 nan 0.000 0.476 368 R N -2.235 118.262 120.500 -0.006 0.000 2.541 368 R HA 0.273 4.613 4.340 0.001 0.000 0.332 368 R C 0.566 176.854 176.300 -0.018 0.000 0.951 368 R CA 0.273 56.364 56.100 -0.016 0.000 1.136 368 R CB 0.475 30.761 30.300 -0.024 0.000 1.449 368 R HN 0.103 nan 8.270 nan 0.000 0.531 369 G N 1.075 109.866 108.800 -0.016 0.000 2.176 369 G HA2 -0.312 3.648 3.960 0.001 0.000 0.252 369 G HA3 -0.312 3.648 3.960 0.001 0.000 0.252 369 G C 0.362 175.246 174.900 -0.028 0.000 1.024 369 G CA 0.116 45.204 45.100 -0.020 0.000 0.755 369 G HN 0.698 nan 8.290 nan 0.000 0.507 370 A N -0.909 121.893 122.820 -0.030 0.000 2.425 370 A HA 0.703 5.023 4.320 0.001 0.000 0.242 370 A C 1.319 178.878 177.584 -0.042 0.000 1.077 370 A CA 1.098 53.111 52.037 -0.041 0.000 0.781 370 A CB 0.297 19.274 19.000 -0.039 0.000 1.020 370 A HN 0.617 nan 8.150 nan 0.000 0.494 371 R N 0.426 120.887 120.500 -0.064 0.000 2.140 371 R HA 0.157 4.497 4.340 0.001 0.000 0.200 371 R C -0.089 176.167 176.300 -0.074 0.000 1.069 371 R CA 0.575 56.635 56.100 -0.066 0.000 1.088 371 R CB 0.065 30.309 30.300 -0.092 0.000 1.012 371 R HN 0.635 nan 8.270 nan 0.000 0.500 372 K N 0.509 120.820 120.400 -0.149 0.000 2.207 372 K HA 0.609 4.929 4.320 0.001 0.000 0.255 372 K C -0.648 175.927 176.600 -0.041 0.000 0.941 372 K CA -0.668 55.500 56.287 -0.199 0.000 0.825 372 K CB 2.255 34.326 32.500 -0.714 0.000 1.119 372 K HN 0.199 nan 8.250 nan 0.000 0.430 373 G N 1.916 110.795 108.800 0.131 0.000 2.752 373 G HA2 0.399 4.359 3.960 0.001 0.000 0.298 373 G HA3 0.399 4.359 3.960 0.001 0.000 0.298 373 G C -2.041 172.966 174.900 0.178 0.000 1.434 373 G CA -0.674 44.490 45.100 0.107 0.000 1.004 373 G HN 0.500 nan 8.290 nan 0.000 0.560 374 L N 1.755 123.052 121.223 0.122 0.000 2.322 374 L HA 0.973 5.313 4.340 0.001 0.000 0.269 374 L C 0.125 177.032 176.870 0.061 0.000 1.012 374 L CA -0.858 54.062 54.840 0.134 0.000 0.815 374 L CB 1.998 44.171 42.059 0.191 0.000 1.295 374 L HN 0.865 nan 8.230 nan 0.000 0.438 375 A N 1.788 124.661 122.820 0.089 0.000 2.401 375 A HA 0.793 5.113 4.320 0.001 0.000 0.310 375 A C -0.756 176.896 177.584 0.113 0.000 1.075 375 A CA -0.384 51.696 52.037 0.072 0.000 0.746 375 A CB 1.951 20.991 19.000 0.066 0.000 1.277 375 A HN 0.670 nan 8.150 nan 0.000 0.425 376 T N 0.370 114.991 114.554 0.111 0.000 2.885 376 T HA 0.614 4.965 4.350 0.001 0.000 0.322 376 T C -2.116 172.654 174.700 0.118 0.000 1.387 376 T CA -0.292 61.893 62.100 0.141 0.000 1.041 376 T CB 0.628 69.620 68.868 0.207 0.000 1.287 376 T HN 0.747 nan 8.240 nan 0.000 0.491 377 L N 2.932 124.225 121.223 0.117 0.000 2.482 377 L HA 0.599 4.939 4.340 0.001 0.000 0.263 377 L C 0.290 177.227 176.870 0.112 0.000 0.957 377 L CA -0.877 54.026 54.840 0.106 0.000 0.836 377 L CB 1.647 43.769 42.059 0.106 0.000 1.324 377 L HN 0.991 nan 8.230 nan 0.000 0.406 378 C N 1.373 120.742 119.300 0.114 0.000 2.604 378 C HA 0.824 5.284 4.460 0.001 0.000 0.396 378 C C 0.136 175.202 174.990 0.127 0.000 1.282 378 C CA -0.787 58.301 59.018 0.116 0.000 2.292 378 C CB -0.404 27.407 27.740 0.120 0.000 2.633 378 C HN 0.653 nan 8.230 nan 0.000 0.620 379 I N 1.925 122.561 120.570 0.111 0.000 2.582 379 I HA 0.533 4.703 4.170 0.001 0.000 0.292 379 I C 0.891 177.065 176.117 0.096 0.000 1.066 379 I CA -0.332 61.026 61.300 0.098 0.000 1.053 379 I CB 1.806 39.859 38.000 0.090 0.000 1.241 379 I HN 1.016 nan 8.210 nan 0.000 0.421 380 G N 2.283 111.132 108.800 0.082 0.000 2.483 380 G HA2 0.431 4.392 3.960 0.001 0.000 0.248 380 G HA3 0.431 4.392 3.960 0.001 0.000 0.248 380 G C 0.903 175.871 174.900 0.114 0.000 1.248 380 G CA 0.477 45.627 45.100 0.084 0.000 0.838 380 G HN 1.204 nan 8.290 nan 0.000 0.566 381 G N -0.393 108.507 108.800 0.167 0.000 2.179 381 G HA2 0.264 4.224 3.960 0.001 0.000 0.260 381 G HA3 0.264 4.224 3.960 0.001 0.000 0.260 381 G C 1.066 176.090 174.900 0.207 0.000 0.977 381 G CA 0.886 46.159 45.100 0.290 0.000 0.641 381 G HN 2.746 nan 8.290 nan 0.000 0.533 382 G N -1.095 107.785 108.800 0.132 0.000 3.030 382 G HA2 0.246 4.207 3.960 0.001 0.000 0.233 382 G HA3 0.246 4.207 3.960 0.001 0.000 0.233 382 G C -0.303 174.643 174.900 0.076 0.000 1.091 382 G CA 0.559 45.711 45.100 0.086 0.000 1.113 382 G HN 1.131 nan 8.290 nan 0.000 0.556 383 M N -0.676 118.973 119.600 0.083 0.000 2.755 383 M HA 0.768 5.248 4.480 0.001 0.000 0.273 383 M C 0.290 176.641 176.300 0.085 0.000 1.278 383 M CA -0.298 55.051 55.300 0.081 0.000 0.819 383 M CB 2.499 35.154 32.600 0.091 0.000 1.694 383 M HN 0.841 nan 8.290 nan 0.000 0.460 384 G N 0.051 108.905 108.800 0.089 0.000 2.660 384 G HA2 0.715 4.676 3.960 0.001 0.000 0.294 384 G HA3 0.715 4.676 3.960 0.001 0.000 0.294 384 G C -2.363 172.610 174.900 0.122 0.000 1.369 384 G CA -0.593 44.566 45.100 0.099 0.000 0.912 384 G HN 0.595 nan 8.290 nan 0.000 0.479 385 V N -0.341 119.655 119.914 0.136 0.000 2.925 385 V HA 0.950 5.070 4.120 0.001 0.000 0.311 385 V C -0.691 175.506 176.094 0.173 0.000 1.104 385 V CA 0.069 62.475 62.300 0.177 0.000 0.954 385 V CB 1.835 33.760 31.823 0.170 0.000 1.022 385 V HN 1.935 nan 8.190 nan 0.000 0.427 386 A N 6.119 129.066 122.820 0.212 0.000 2.606 386 A HA 0.934 5.255 4.320 0.001 0.000 0.293 386 A C -1.256 176.460 177.584 0.221 0.000 1.082 386 A CA -0.589 51.560 52.037 0.187 0.000 0.685 386 A CB 2.130 21.229 19.000 0.164 0.000 1.284 386 A HN 1.257 nan 8.150 nan 0.000 0.408 387 M N 1.117 120.820 119.600 0.171 0.000 2.324 387 M HA 0.512 4.993 4.480 0.001 0.000 0.288 387 M C -1.829 174.541 176.300 0.118 0.000 1.097 387 M CA -0.240 55.158 55.300 0.162 0.000 0.928 387 M CB 1.600 34.277 32.600 0.128 0.000 1.648 387 M HN 0.736 nan 8.290 nan 0.000 0.460 388 C N 5.170 124.510 119.300 0.067 0.000 2.350 388 C HA 0.711 5.171 4.460 0.001 0.000 0.348 388 C C -0.421 174.613 174.990 0.073 0.000 1.260 388 C CA -0.673 58.370 59.018 0.042 0.000 1.966 388 C CB 0.427 28.002 27.740 -0.275 0.000 2.380 388 C HN 0.611 nan 8.230 nan 0.000 0.535 389 I N 2.993 123.683 120.570 0.200 0.000 2.499 389 I HA 0.422 4.592 4.170 0.001 0.000 0.288 389 I C -0.191 176.095 176.117 0.281 0.000 1.048 389 I CA -0.195 61.211 61.300 0.175 0.000 1.062 389 I CB 1.565 39.629 38.000 0.107 0.000 1.238 389 I HN 0.727 nan 8.210 nan 0.000 0.426 390 E N 3.891 124.242 120.200 0.251 0.000 2.176 390 E HA 0.411 4.761 4.350 0.001 0.000 0.267 390 E C -0.106 176.560 176.600 0.109 0.000 0.893 390 E CA -0.407 56.135 56.400 0.236 0.000 0.761 390 E CB 1.589 31.490 29.700 0.336 0.000 1.133 390 E HN 0.694 nan 8.360 nan 0.000 0.409 391 S N 4.236 119.972 115.700 0.059 0.000 2.580 391 S HA 0.152 4.623 4.470 0.001 0.000 0.266 391 S C 0.358 174.973 174.600 0.026 0.000 1.354 391 S CA -0.613 57.600 58.200 0.022 0.000 1.008 391 S CB 0.507 63.707 63.200 -0.001 0.000 0.898 391 S HN 0.436 nan 8.310 nan 0.000 0.555 392 L N 0.000 121.229 121.223 0.011 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.848 54.840 0.013 0.000 0.813 392 L CB 0.000 42.063 42.059 0.007 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502