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 2r0g_1_A DATA FIRST_RESID 3 DATA SEQUENCE APIETDVLIL GGGPVGMALA LDLAHRQVGH LVVEQTDGTI THPRVGTIGP DATA SEQUENCE RSMELFRRWG VAKQIRTAGW PGDHPLDAAW VTRVGGHEVY RIPLGTADTR DATA SEQUENCE ATPEHTPEPD AICPQHWLAP LLAEAVGERL RTRSRLDSFE QRDDHVRATI DATA SEQUENCE TDLRTGATRA VHARYLVACD GASSPTRKAL GIDAPPRHRT QVFRNILFRA DATA SEQUENCE PELRSLLGER AALFFFLMLS SSLRFPLRAL DGRGLYRLTV GVDXXXXXTM DATA SEQUENCE DSFELVRRAV AFDTEIEVLS DSEWHLTHRV ADSFSAGRVF LTGDAAHTLS DATA SEQUENCE PSGGFGMNTG IGSAADLGWK LAATLRGWAG PGLLATYEEE RRPVAITSLE DATA SEQUENCE EANVNLRRTM DRELPPGLHD DGPRGERIRA AVAEKLERSG ARREFDAPGI DATA SEQUENCE HFGHTYRSSI VCGEPETEVA TGGWRPSARP GARAPHAWLT PTTSTLDLFG DATA SEQUENCE RGFVLLSFGT TDGVEAVTRA FADRHVPLET VTCHAPEIHA LYERAHVLVR DATA SEQUENCE PDGHVAWRGD HLPAELGGLV DKVRGAA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.539 177.584 -0.074 0.000 1.274 3 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 3 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 4 P HA 0.316 nan 4.420 nan 0.000 0.263 4 P C -0.114 177.096 177.300 -0.150 0.000 1.195 4 P CA 0.196 63.174 63.100 -0.203 0.000 0.762 4 P CB 0.330 31.786 31.700 -0.407 0.000 0.799 5 I N 3.266 123.771 120.570 -0.110 0.000 2.575 5 I HA 0.120 4.290 4.170 0.000 0.000 0.285 5 I C 1.047 177.145 176.117 -0.031 0.000 1.085 5 I CA -0.181 61.084 61.300 -0.058 0.000 1.403 5 I CB 0.660 38.637 38.000 -0.038 0.000 1.409 5 I HN 0.510 nan 8.210 nan 0.000 0.557 6 E N 4.401 124.597 120.200 -0.007 0.000 2.248 6 E HA 0.630 4.980 4.350 0.000 0.000 0.267 6 E C -1.119 175.493 176.600 0.020 0.000 0.877 6 E CA -0.711 55.706 56.400 0.029 0.000 0.759 6 E CB 2.530 32.247 29.700 0.028 0.000 1.182 6 E HN 0.435 nan 8.360 nan 0.000 0.418 7 T N 1.198 115.774 114.554 0.037 0.000 2.843 7 T HA 0.154 4.504 4.350 0.000 0.000 0.302 7 T C -0.303 174.428 174.700 0.051 0.000 1.232 7 T CA -0.474 61.643 62.100 0.029 0.000 1.009 7 T CB 1.713 70.591 68.868 0.018 0.000 1.254 7 T HN 0.477 nan 8.240 nan 0.000 0.504 8 D N 0.553 120.988 120.400 0.059 0.000 2.117 8 D HA 0.073 4.713 4.640 0.000 0.000 0.198 8 D C 0.505 176.880 176.300 0.125 0.000 0.982 8 D CA 1.370 55.421 54.000 0.086 0.000 0.828 8 D CB 0.224 41.076 40.800 0.088 0.000 0.967 8 D HN 0.278 nan 8.370 nan 0.000 0.464 9 V N 1.286 121.266 119.914 0.111 0.000 2.577 9 V HA 0.260 4.380 4.120 0.000 0.000 0.303 9 V C -0.773 175.373 176.094 0.086 0.000 1.042 9 V CA -0.988 61.377 62.300 0.109 0.000 0.872 9 V CB 2.485 34.343 31.823 0.058 0.000 0.998 9 V HN -0.092 nan 8.190 nan 0.000 0.423 10 L N 6.569 127.835 121.223 0.072 0.000 2.265 10 L HA 0.621 4.961 4.340 0.000 0.000 0.289 10 L C -0.454 176.432 176.870 0.027 0.000 1.033 10 L CA 0.190 55.059 54.840 0.050 0.000 0.814 10 L CB 0.896 42.983 42.059 0.047 0.000 1.203 10 L HN 0.558 nan 8.230 nan 0.000 0.423 11 I N 6.416 127.001 120.570 0.024 0.000 2.297 11 I HA 0.223 4.393 4.170 0.000 0.000 0.291 11 I C -0.260 175.856 176.117 -0.001 0.000 1.033 11 I CA -0.280 61.021 61.300 0.001 0.000 1.253 11 I CB 1.145 39.146 38.000 0.002 0.000 1.396 11 I HN 0.484 nan 8.210 nan 0.000 0.476 12 L N 7.758 128.972 121.223 -0.014 0.000 2.282 12 L HA 0.639 4.980 4.340 0.000 0.000 0.287 12 L C 0.161 177.023 176.870 -0.013 0.000 1.075 12 L CA 0.050 54.884 54.840 -0.011 0.000 0.839 12 L CB 0.203 42.249 42.059 -0.022 0.000 1.219 12 L HN 0.873 nan 8.230 nan 0.000 0.434 13 G N 2.531 111.328 108.800 -0.004 0.000 3.162 13 G HA2 -0.017 3.943 3.960 0.000 0.000 0.599 13 G HA3 -0.017 3.943 3.960 0.000 0.000 0.599 13 G C 0.020 174.919 174.900 -0.001 0.000 1.335 13 G CA -0.396 44.701 45.100 -0.005 0.000 1.091 13 G HN 0.796 nan 8.290 nan 0.000 0.570 14 G N 0.392 109.195 108.800 0.005 0.000 3.434 14 G HA2 0.599 4.559 3.960 0.000 0.000 0.258 14 G HA3 0.599 4.559 3.960 0.000 0.000 0.258 14 G C 0.983 175.892 174.900 0.014 0.000 1.128 14 G CA 0.995 46.102 45.100 0.011 0.000 0.792 14 G HN 1.230 nan 8.290 nan 0.000 0.539 15 G N 0.567 109.373 108.800 0.010 0.000 2.553 15 G HA2 0.399 4.359 3.960 0.000 0.000 0.278 15 G HA3 0.399 4.359 3.960 0.000 0.000 0.278 15 G C -0.912 174.006 174.900 0.031 0.000 1.349 15 G CA -0.753 44.355 45.100 0.014 0.000 1.037 15 G HN -0.029 nan 8.290 nan 0.000 0.508 16 P HA -0.144 nan 4.420 nan 0.000 0.215 16 P C 2.113 179.470 177.300 0.094 0.000 1.163 16 P CA 1.179 64.332 63.100 0.087 0.000 0.894 16 P CB -0.023 31.730 31.700 0.088 0.000 0.791 17 V N -0.394 119.557 119.914 0.062 0.000 2.343 17 V HA -0.166 3.954 4.120 0.000 0.000 0.247 17 V C 2.566 178.666 176.094 0.010 0.000 1.051 17 V CA 2.460 64.790 62.300 0.049 0.000 1.036 17 V CB -1.914 29.930 31.823 0.034 0.000 0.654 17 V HN 0.207 nan 8.190 nan 0.000 0.451 18 G N -0.692 108.106 108.800 -0.003 0.000 2.422 18 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 18 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 18 G C 1.511 176.388 174.900 -0.039 0.000 1.140 18 G CA 0.726 45.810 45.100 -0.027 0.000 0.775 18 G HN 0.317 nan 8.290 nan 0.000 0.545 19 M N 1.099 120.693 119.600 -0.010 0.000 2.200 19 M HA 0.142 4.623 4.480 0.000 0.000 0.265 19 M C 2.980 179.228 176.300 -0.086 0.000 1.066 19 M CA 1.110 56.400 55.300 -0.017 0.000 1.127 19 M CB -1.160 31.463 32.600 0.039 0.000 1.379 19 M HN 0.300 nan 8.290 nan 0.000 0.420 20 A N 0.417 123.208 122.820 -0.049 0.000 1.877 20 A HA -0.154 4.166 4.320 0.000 0.000 0.216 20 A C 2.219 179.555 177.584 -0.414 0.000 1.186 20 A CA 1.359 53.285 52.037 -0.186 0.000 0.620 20 A CB -0.956 18.082 19.000 0.064 0.000 0.822 20 A HN 0.411 nan 8.150 nan 0.000 0.443 21 L N -0.181 120.908 121.223 -0.222 0.000 2.079 21 L HA -0.085 4.255 4.340 0.000 0.000 0.210 21 L C 2.603 179.259 176.870 -0.357 0.000 1.081 21 L CA 2.151 56.844 54.840 -0.246 0.000 0.752 21 L CB -0.721 41.237 42.059 -0.168 0.000 0.896 21 L HN 0.346 nan 8.230 nan 0.000 0.433 22 A N -0.728 121.896 122.820 -0.328 0.000 1.930 22 A HA -0.135 4.185 4.320 0.000 0.000 0.217 22 A C 2.261 179.523 177.584 -0.537 0.000 1.175 22 A CA 1.782 53.564 52.037 -0.426 0.000 0.627 22 A CB -0.789 18.129 19.000 -0.136 0.000 0.815 22 A HN 0.493 nan 8.150 nan 0.000 0.443 23 L N -0.839 120.052 121.223 -0.554 0.000 2.093 23 L HA -0.187 4.153 4.340 0.000 0.000 0.208 23 L C 2.328 178.662 176.870 -0.892 0.000 1.085 23 L CA 1.796 56.205 54.840 -0.718 0.000 0.755 23 L CB -0.448 40.999 42.059 -1.020 0.000 0.904 23 L HN 0.476 nan 8.230 nan 0.000 0.435 24 D N -0.062 119.784 120.400 -0.925 0.000 2.123 24 D HA -0.148 4.492 4.640 0.000 0.000 0.200 24 D C 2.326 178.526 176.300 -0.166 0.000 0.976 24 D CA 0.903 54.668 54.000 -0.391 0.000 0.831 24 D CB 0.119 40.854 40.800 -0.109 0.000 0.974 24 D HN 0.159 nan 8.370 nan 0.000 0.469 25 L N 0.088 121.131 121.223 -0.301 0.000 2.093 25 L HA -0.064 4.277 4.340 0.000 0.000 0.208 25 L C 2.602 179.375 176.870 -0.161 0.000 1.085 25 L CA 0.988 55.681 54.840 -0.246 0.000 0.755 25 L CB -0.576 41.243 42.059 -0.400 0.000 0.904 25 L HN 0.082 nan 8.230 nan 0.000 0.435 26 A N -0.358 122.312 122.820 -0.251 0.000 1.908 26 A HA -0.261 4.059 4.320 0.000 0.000 0.218 26 A C 1.887 179.475 177.584 0.007 0.000 1.181 26 A CA 1.751 53.788 52.037 0.001 0.000 0.627 26 A CB -0.861 18.158 19.000 0.031 0.000 0.818 26 A HN 0.436 nan 8.150 nan 0.000 0.445 27 H N -1.027 118.025 119.070 -0.031 0.000 2.563 27 H HA 0.156 4.712 4.556 0.000 0.000 0.272 27 H C 1.260 176.645 175.328 0.095 0.000 1.005 27 H CA 0.786 56.877 56.048 0.073 0.000 1.171 27 H CB 0.085 29.951 29.762 0.174 0.000 1.351 27 H HN 0.441 nan 8.280 nan 0.000 0.602 28 R N 0.445 121.030 120.500 0.142 0.000 2.577 28 R HA 0.059 4.400 4.340 0.000 0.000 0.344 28 R C -0.107 176.255 176.300 0.104 0.000 1.037 28 R CA 0.003 56.186 56.100 0.138 0.000 1.102 28 R CB 0.711 31.097 30.300 0.144 0.000 1.313 28 R HN 0.139 nan 8.270 nan 0.000 0.561 29 Q N -1.120 118.727 119.800 0.079 0.000 2.494 29 Q HA -0.132 4.208 4.340 0.000 0.000 0.272 29 Q C -0.526 175.524 176.000 0.084 0.000 1.145 29 Q CA 0.730 56.577 55.803 0.074 0.000 0.943 29 Q CB -2.692 26.091 28.738 0.074 0.000 1.338 29 Q HN 0.153 nan 8.270 nan 0.000 0.492 30 V N 0.433 120.405 119.914 0.096 0.000 2.370 30 V HA 0.610 4.731 4.120 0.000 0.000 0.279 30 V C 1.322 177.541 176.094 0.207 0.000 1.029 30 V CA -0.122 62.241 62.300 0.104 0.000 0.870 30 V CB 1.632 33.484 31.823 0.048 0.000 0.984 30 V HN 0.375 nan 8.190 nan 0.000 0.451 31 G N 5.105 113.982 108.800 0.128 0.000 2.340 31 G HA2 0.413 4.373 3.960 0.000 0.000 0.245 31 G HA3 0.413 4.373 3.960 0.000 0.000 0.245 31 G C -0.173 174.800 174.900 0.121 0.000 1.294 31 G CA 0.042 45.186 45.100 0.074 0.000 0.896 31 G HN 0.972 nan 8.290 nan 0.000 0.522 32 H N 0.480 119.543 119.070 -0.011 0.000 2.966 32 H HA 0.682 5.239 4.556 0.000 0.000 0.330 32 H C -1.975 173.345 175.328 -0.013 0.000 1.292 32 H CA -1.278 54.761 56.048 -0.015 0.000 1.127 32 H CB 1.859 31.600 29.762 -0.035 0.000 1.863 32 H HN 0.457 nan 8.280 nan 0.000 0.543 33 L N 1.791 123.042 121.223 0.046 0.000 2.526 33 L HA 0.359 4.699 4.340 0.000 0.000 0.263 33 L C -1.278 175.621 176.870 0.048 0.000 0.943 33 L CA -0.629 54.208 54.840 -0.005 0.000 0.859 33 L CB 2.012 44.062 42.059 -0.015 0.000 1.313 33 L HN 0.552 nan 8.230 nan 0.000 0.406 34 V N 4.483 124.422 119.914 0.042 0.000 2.459 34 V HA 0.564 4.684 4.120 0.000 0.000 0.295 34 V C -0.064 176.042 176.094 0.020 0.000 1.029 34 V CA -0.785 61.538 62.300 0.038 0.000 0.874 34 V CB 2.021 33.872 31.823 0.046 0.000 0.985 34 V HN 0.513 nan 8.190 nan 0.000 0.438 35 V N 1.406 121.331 119.914 0.017 0.000 2.409 35 V HA 0.868 4.988 4.120 0.000 0.000 0.291 35 V C -0.693 175.409 176.094 0.013 0.000 1.020 35 V CA -0.631 61.677 62.300 0.015 0.000 0.848 35 V CB 1.604 33.437 31.823 0.017 0.000 0.990 35 V HN 0.883 nan 8.190 nan 0.000 0.430 36 E N 3.786 123.993 120.200 0.013 0.000 2.191 36 E HA 0.383 4.733 4.350 0.000 0.000 0.263 36 E C 0.907 177.514 176.600 0.012 0.000 0.881 36 E CA -0.356 56.051 56.400 0.012 0.000 0.757 36 E CB 2.244 31.952 29.700 0.012 0.000 1.147 36 E HN 0.833 nan 8.360 nan 0.000 0.414 37 Q N 2.143 121.950 119.800 0.011 0.000 2.167 37 Q HA -0.050 4.291 4.340 0.000 0.000 0.202 37 Q C 0.723 176.730 176.000 0.011 0.000 0.970 37 Q CA 1.340 57.150 55.803 0.012 0.000 0.855 37 Q CB -0.593 28.152 28.738 0.012 0.000 0.911 37 Q HN 0.577 nan 8.270 nan 0.000 0.438 38 T N -0.052 114.508 114.554 0.011 0.000 2.788 38 T HA 0.038 4.388 4.350 0.000 0.000 0.280 38 T C 0.726 175.434 174.700 0.013 0.000 0.984 38 T CA -0.236 61.871 62.100 0.012 0.000 0.972 38 T CB 0.977 69.852 68.868 0.011 0.000 1.039 38 T HN 0.324 nan 8.240 nan 0.000 0.530 39 D N -1.299 119.110 120.400 0.015 0.000 2.336 39 D HA 0.125 4.766 4.640 0.000 0.000 0.229 39 D C 1.517 177.829 176.300 0.018 0.000 1.061 39 D CA 0.574 54.584 54.000 0.016 0.000 0.875 39 D CB -0.835 39.975 40.800 0.016 0.000 0.904 39 D HN 1.165 nan 8.370 nan 0.000 0.525 40 G N 0.579 109.391 108.800 0.019 0.000 2.179 40 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 40 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 40 G C 0.503 175.421 174.900 0.030 0.000 0.977 40 G CA 0.704 45.818 45.100 0.023 0.000 0.641 40 G HN 0.778 nan 8.290 nan 0.000 0.533 41 T N -0.809 113.764 114.554 0.031 0.000 2.918 41 T HA 0.752 5.102 4.350 0.000 0.000 0.283 41 T C 0.053 174.777 174.700 0.040 0.000 1.001 41 T CA -0.866 61.258 62.100 0.041 0.000 1.041 41 T CB 2.193 71.084 68.868 0.038 0.000 1.028 41 T HN 0.409 nan 8.240 nan 0.000 0.511 42 I N 2.757 123.359 120.570 0.054 0.000 2.406 42 I HA 0.292 4.463 4.170 0.000 0.000 0.290 42 I C 1.386 177.519 176.117 0.027 0.000 0.999 42 I CA -0.755 60.574 61.300 0.048 0.000 1.124 42 I CB 1.307 39.349 38.000 0.070 0.000 1.289 42 I HN 1.094 nan 8.210 nan 0.000 0.441 43 T N 0.563 115.130 114.554 0.021 0.000 3.018 43 T HA 0.102 4.452 4.350 0.000 0.000 0.246 43 T C 0.599 175.298 174.700 -0.001 0.000 1.026 43 T CA 0.474 62.573 62.100 -0.001 0.000 1.081 43 T CB -0.033 68.848 68.868 0.022 0.000 0.970 43 T HN 0.626 nan 8.240 nan 0.000 0.475 44 H N 2.114 121.141 119.070 -0.071 0.000 2.791 44 H HA 0.468 5.024 4.556 0.000 0.000 0.272 44 H C -2.963 172.307 175.328 -0.097 0.000 1.188 44 H CA -2.406 53.590 56.048 -0.086 0.000 1.436 44 H CB 0.976 30.707 29.762 -0.052 0.000 1.467 44 H HN 0.091 nan 8.280 nan 0.000 0.500 45 P HA -0.006 nan 4.420 nan 0.000 0.261 45 P C 0.381 177.697 177.300 0.026 0.000 1.183 45 P CA 0.193 63.319 63.100 0.043 0.000 0.761 45 P CB 1.049 32.744 31.700 -0.008 0.000 0.785 46 R N 2.526 122.990 120.500 -0.059 0.000 2.056 46 R HA 0.093 4.433 4.340 0.000 0.000 0.215 46 R C 0.466 176.684 176.300 -0.137 0.000 1.205 46 R CA 0.440 56.451 56.100 -0.149 0.000 1.020 46 R CB -0.154 30.028 30.300 -0.197 0.000 0.911 46 R HN 0.439 nan 8.270 nan 0.000 0.451 47 V N -0.650 119.203 119.914 -0.100 0.000 2.686 47 V HA 0.472 4.593 4.120 0.000 0.000 0.295 47 V C 0.504 176.543 176.094 -0.092 0.000 1.055 47 V CA 0.405 62.654 62.300 -0.084 0.000 1.050 47 V CB 1.489 33.286 31.823 -0.042 0.000 0.984 47 V HN 0.449 nan 8.190 nan 0.000 0.482 48 G N 3.049 111.787 108.800 -0.103 0.000 2.659 48 G HA2 0.240 4.200 3.960 0.000 0.000 0.197 48 G HA3 0.240 4.200 3.960 0.000 0.000 0.197 48 G C 0.463 175.268 174.900 -0.158 0.000 1.099 48 G CA 0.413 45.419 45.100 -0.156 0.000 0.759 48 G HN 0.747 nan 8.290 nan 0.000 0.715 49 T N 3.187 117.688 114.554 -0.088 0.000 2.758 49 T HA 0.530 4.880 4.350 0.000 0.000 0.285 49 T C -0.561 174.127 174.700 -0.019 0.000 0.981 49 T CA -0.293 61.767 62.100 -0.065 0.000 0.965 49 T CB 1.974 70.850 68.868 0.013 0.000 0.927 49 T HN -0.051 nan 8.240 nan 0.000 0.448 50 I N 3.352 123.908 120.570 -0.023 0.000 2.304 50 I HA 0.330 4.501 4.170 0.000 0.000 0.291 50 I C 1.254 177.368 176.117 -0.003 0.000 1.018 50 I CA -0.765 60.557 61.300 0.037 0.000 1.260 50 I CB 0.115 38.158 38.000 0.072 0.000 1.390 50 I HN 0.689 nan 8.210 nan 0.000 0.475 51 G N 8.094 116.883 108.800 -0.018 0.000 2.614 51 G HA2 0.250 4.211 3.960 0.000 0.000 0.239 51 G HA3 0.250 4.211 3.960 0.000 0.000 0.239 51 G C -1.260 173.501 174.900 -0.233 0.000 1.240 51 G CA -0.656 44.328 45.100 -0.193 0.000 0.842 51 G HN 0.475 nan 8.290 nan 0.000 0.584 52 P HA -0.174 nan 4.420 nan 0.000 0.215 52 P C 1.694 178.928 177.300 -0.110 0.000 1.153 52 P CA 0.820 63.809 63.100 -0.186 0.000 0.853 52 P CB 0.211 31.843 31.700 -0.114 0.000 0.788 53 R N 0.789 121.144 120.500 -0.242 0.000 2.105 53 R HA -0.065 4.275 4.340 0.000 0.000 0.239 53 R C 2.342 178.568 176.300 -0.124 0.000 1.135 53 R CA 2.045 58.087 56.100 -0.097 0.000 0.967 53 R CB -1.590 28.628 30.300 -0.136 0.000 0.861 53 R HN 0.079 nan 8.270 nan 0.000 0.442 54 S N 0.023 115.646 115.700 -0.128 0.000 2.368 54 S HA -0.085 4.385 4.470 0.000 0.000 0.225 54 S C 1.751 176.251 174.600 -0.168 0.000 1.030 54 S CA 1.359 59.450 58.200 -0.181 0.000 0.999 54 S CB -0.151 63.038 63.200 -0.019 0.000 0.844 54 S HN 0.231 nan 8.310 nan 0.000 0.459 55 M N 1.528 121.145 119.600 0.028 0.000 2.213 55 M HA -0.045 4.435 4.480 0.000 0.000 0.263 55 M C 1.898 178.196 176.300 -0.004 0.000 1.062 55 M CA 1.236 56.613 55.300 0.128 0.000 1.105 55 M CB -1.291 31.357 32.600 0.080 0.000 1.385 55 M HN 0.395 nan 8.290 nan 0.000 0.417 56 E N 0.080 120.225 120.200 -0.092 0.000 2.072 56 E HA -0.130 4.220 4.350 0.000 0.000 0.191 56 E C 2.141 178.560 176.600 -0.302 0.000 0.985 56 E CA 0.919 57.235 56.400 -0.140 0.000 0.801 56 E CB -0.178 29.466 29.700 -0.093 0.000 0.750 56 E HN 0.441 nan 8.360 nan 0.000 0.452 57 L N -0.073 120.852 121.223 -0.496 0.000 2.141 57 L HA -0.126 4.214 4.340 0.000 0.000 0.209 57 L C 2.099 178.245 176.870 -1.207 0.000 1.094 57 L CA 0.695 54.926 54.840 -1.016 0.000 0.763 57 L CB -0.219 41.122 42.059 -1.197 0.000 0.908 57 L HN 0.085 nan 8.230 nan 0.000 0.437 58 F N -0.161 119.509 119.950 -0.468 0.000 2.325 58 F HA -0.074 4.453 4.527 0.000 0.000 0.299 58 F C 2.694 178.414 175.800 -0.133 0.000 1.090 58 F CA 0.832 58.738 58.000 -0.155 0.000 1.392 58 F CB -0.529 38.475 39.000 0.007 0.000 1.053 58 F HN -0.016 nan 8.300 nan 0.000 0.521 59 R N 0.757 121.247 120.500 -0.017 0.000 2.073 59 R HA -0.187 4.153 4.340 0.000 0.000 0.234 59 R C 2.445 178.705 176.300 -0.067 0.000 1.134 59 R CA 1.700 57.791 56.100 -0.015 0.000 0.952 59 R CB -0.294 29.981 30.300 -0.042 0.000 0.850 59 R HN 0.174 nan 8.270 nan 0.000 0.433 60 R N -0.277 120.084 120.500 -0.232 0.000 2.091 60 R HA -0.146 4.194 4.340 0.000 0.000 0.238 60 R C 1.493 177.681 176.300 -0.186 0.000 1.136 60 R CA 1.880 57.829 56.100 -0.250 0.000 0.959 60 R CB -0.269 29.767 30.300 -0.440 0.000 0.856 60 R HN 0.357 nan 8.270 nan 0.000 0.437 61 W N 0.082 121.269 121.300 -0.189 0.000 3.077 61 W HA 0.310 4.970 4.660 0.000 0.000 0.245 61 W C 1.021 177.538 176.519 -0.003 0.000 1.316 61 W CA 0.825 57.972 57.345 -0.331 0.000 1.537 61 W CB -0.657 28.696 29.460 -0.177 0.000 1.131 61 W HN 0.525 nan 8.180 nan 0.000 0.695 62 G N 0.449 109.376 108.800 0.212 0.000 2.147 62 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 62 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 62 G C 0.526 175.527 174.900 0.169 0.000 1.005 62 G CA 0.552 45.767 45.100 0.191 0.000 0.713 62 G HN 0.497 nan 8.290 nan 0.000 0.515 63 V N -3.981 116.047 119.914 0.191 0.000 3.477 63 V HA 0.721 4.841 4.120 0.000 0.000 0.297 63 V C 2.345 178.453 176.094 0.024 0.000 1.433 63 V CA 1.022 63.380 62.300 0.097 0.000 1.052 63 V CB -0.121 31.750 31.823 0.080 0.000 0.895 63 V HN 1.141 nan 8.190 nan 0.000 0.438 64 A N 1.864 124.736 122.820 0.087 0.000 1.873 64 A HA -0.211 4.109 4.320 0.000 0.000 0.218 64 A C 2.255 179.848 177.584 0.014 0.000 1.193 64 A CA 2.559 54.632 52.037 0.059 0.000 0.629 64 A CB -0.568 18.487 19.000 0.091 0.000 0.826 64 A HN 0.560 nan 8.150 nan 0.000 0.447 65 K N -0.182 120.232 120.400 0.024 0.000 2.063 65 K HA -0.210 4.110 4.320 0.000 0.000 0.208 65 K C 2.348 178.939 176.600 -0.016 0.000 1.048 65 K CA 1.610 57.904 56.287 0.010 0.000 0.928 65 K CB -0.256 32.255 32.500 0.018 0.000 0.713 65 K HN 0.770 nan 8.250 nan 0.000 0.442 66 Q N 0.747 120.531 119.800 -0.027 0.000 2.167 66 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 66 Q C 2.128 178.080 176.000 -0.080 0.000 0.970 66 Q CA 1.288 57.058 55.803 -0.054 0.000 0.855 66 Q CB -0.426 28.282 28.738 -0.050 0.000 0.911 66 Q HN 0.395 nan 8.270 nan 0.000 0.438 67 I N 1.070 121.587 120.570 -0.088 0.000 2.226 67 I HA -0.243 3.927 4.170 0.000 0.000 0.245 67 I C 2.645 178.733 176.117 -0.048 0.000 1.100 67 I CA 1.251 62.490 61.300 -0.101 0.000 1.374 67 I CB -0.170 37.731 38.000 -0.165 0.000 1.057 67 I HN 0.158 nan 8.210 nan 0.000 0.413 68 R N -0.018 120.468 120.500 -0.023 0.000 2.148 68 R HA -0.088 4.252 4.340 0.000 0.000 0.223 68 R C 1.778 178.086 176.300 0.013 0.000 1.088 68 R CA 1.741 57.851 56.100 0.016 0.000 0.985 68 R CB -0.347 29.970 30.300 0.029 0.000 0.880 68 R HN 0.463 nan 8.270 nan 0.000 0.451 69 T N -3.216 111.315 114.554 -0.038 0.000 3.145 69 T HA 0.316 4.666 4.350 0.000 0.000 0.255 69 T C 1.513 176.112 174.700 -0.169 0.000 1.039 69 T CA 0.250 62.305 62.100 -0.074 0.000 0.928 69 T CB 0.821 69.648 68.868 -0.068 0.000 1.029 69 T HN 0.097 nan 8.240 nan 0.000 0.554 70 A N 1.080 123.781 122.820 -0.198 0.000 2.125 70 A HA 0.496 4.816 4.320 0.000 0.000 0.219 70 A C 2.066 179.141 177.584 -0.848 0.000 1.156 70 A CA 1.120 52.911 52.037 -0.410 0.000 0.671 70 A CB -0.852 17.989 19.000 -0.265 0.000 0.794 70 A HN 1.198 nan 8.150 nan 0.000 0.459 71 G N -3.579 104.871 108.800 -0.582 0.000 2.977 71 G HA2 -0.142 3.818 3.960 0.000 0.000 0.211 71 G HA3 -0.142 3.818 3.960 0.000 0.000 0.211 71 G C 0.043 174.874 174.900 -0.115 0.000 0.994 71 G CA -0.101 44.582 45.100 -0.695 0.000 0.795 71 G HN 0.564 nan 8.290 nan 0.000 0.518 72 W N 3.494 124.807 121.300 0.023 0.000 2.322 72 W HA 0.470 5.130 4.660 0.000 0.000 0.328 72 W C -2.348 174.193 176.519 0.036 0.000 1.395 72 W CA -1.105 56.325 57.345 0.142 0.000 1.267 72 W CB 0.510 30.034 29.460 0.107 0.000 1.259 72 W HN 0.050 nan 8.180 nan 0.000 0.560 73 P HA 0.065 nan 4.420 nan 0.000 0.267 73 P C 0.845 177.878 177.300 -0.446 0.000 1.205 73 P CA 0.407 63.213 63.100 -0.491 0.000 0.765 73 P CB 0.705 32.126 31.700 -0.465 0.000 0.828 74 G N 2.510 111.216 108.800 -0.157 0.000 2.559 74 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 74 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 74 G C 0.697 175.586 174.900 -0.019 0.000 1.126 74 G CA 0.266 45.351 45.100 -0.026 0.000 0.778 74 G HN 0.596 nan 8.290 nan 0.000 0.543 75 D N -1.274 119.078 120.400 -0.079 0.000 2.369 75 D HA -0.006 4.634 4.640 0.000 0.000 0.211 75 D C 0.159 176.420 176.300 -0.065 0.000 1.077 75 D CA -0.465 53.503 54.000 -0.053 0.000 0.842 75 D CB -0.252 40.509 40.800 -0.065 0.000 0.947 75 D HN 0.206 nan 8.370 nan 0.000 0.509 76 H N 1.996 120.927 119.070 -0.231 0.000 2.610 76 H HA 0.266 4.822 4.556 0.000 0.000 0.336 76 H C -2.399 172.938 175.328 0.014 0.000 1.087 76 H CA -1.414 54.495 56.048 -0.233 0.000 1.405 76 H CB 1.253 30.603 29.762 -0.686 0.000 1.460 76 H HN -0.127 nan 8.280 nan 0.000 0.538 77 P HA 0.017 nan 4.420 nan 0.000 0.269 77 P C 0.384 177.908 177.300 0.374 0.000 1.209 77 P CA 0.115 63.319 63.100 0.173 0.000 0.776 77 P CB 0.806 32.508 31.700 0.003 0.000 0.876 78 L N 0.523 121.888 121.223 0.236 0.000 2.693 78 L HA 0.170 4.511 4.340 0.000 0.000 0.235 78 L C 0.244 177.162 176.870 0.080 0.000 1.127 78 L CA -0.126 54.825 54.840 0.183 0.000 0.914 78 L CB -0.239 41.916 42.059 0.161 0.000 1.193 78 L HN 0.288 nan 8.230 nan 0.000 0.502 79 D N 1.689 122.108 120.400 0.032 0.000 2.390 79 D HA 0.267 4.907 4.640 0.000 0.000 0.236 79 D C 0.278 176.492 176.300 -0.144 0.000 1.189 79 D CA 0.320 54.289 54.000 -0.051 0.000 0.887 79 D CB 1.124 41.889 40.800 -0.058 0.000 1.198 79 D HN 0.088 nan 8.370 nan 0.000 0.444 80 A N 0.133 122.808 122.820 -0.241 0.000 2.331 80 A HA 0.721 5.041 4.320 0.000 0.000 0.320 80 A C -0.831 176.615 177.584 -0.230 0.000 1.138 80 A CA -0.540 51.245 52.037 -0.420 0.000 0.790 80 A CB 1.361 19.699 19.000 -1.104 0.000 1.206 80 A HN 0.582 nan 8.150 nan 0.000 0.470 81 A N 2.110 124.795 122.820 -0.225 0.000 2.455 81 A HA 0.660 4.980 4.320 0.000 0.000 0.300 81 A C -1.159 176.531 177.584 0.177 0.000 1.040 81 A CA -0.376 51.716 52.037 0.092 0.000 0.697 81 A CB 0.937 20.012 19.000 0.125 0.000 1.265 81 A HN 0.839 nan 8.150 nan 0.000 0.407 82 W N 3.039 124.495 121.300 0.260 0.000 2.331 82 W HA 0.489 5.148 4.660 -0.000 0.000 0.306 82 W C -0.259 176.412 176.519 0.252 0.000 1.162 82 W CA -0.135 57.391 57.345 0.300 0.000 1.232 82 W CB 1.685 31.297 29.460 0.254 0.000 1.235 82 W HN 0.773 nan 8.180 nan 0.000 0.479 83 V N 0.276 120.409 119.914 0.364 0.000 3.078 83 V HA 0.474 4.594 4.120 0.000 0.000 0.311 83 V C 0.738 176.933 176.094 0.169 0.000 1.138 83 V CA -0.615 61.833 62.300 0.246 0.000 1.007 83 V CB 1.536 33.473 31.823 0.190 0.000 1.045 83 V HN 0.584 nan 8.190 nan 0.000 0.432 84 T N -0.416 114.203 114.554 0.108 0.000 2.857 84 T HA 0.257 4.607 4.350 0.000 0.000 0.266 84 T C 0.761 175.527 174.700 0.109 0.000 1.048 84 T CA 0.831 62.974 62.100 0.071 0.000 1.139 84 T CB -0.194 68.669 68.868 -0.007 0.000 0.874 84 T HN 0.821 nan 8.240 nan 0.000 0.455 85 R N -0.528 119.996 120.500 0.039 0.000 2.664 85 R HA 0.526 4.866 4.340 0.000 0.000 0.266 85 R C -1.835 174.370 176.300 -0.158 0.000 1.046 85 R CA -0.864 55.214 56.100 -0.037 0.000 0.885 85 R CB 2.096 32.366 30.300 -0.050 0.000 1.254 85 R HN -0.027 nan 8.270 nan 0.000 0.465 86 V N 2.220 121.983 119.914 -0.252 0.000 2.446 86 V HA 0.261 4.381 4.120 0.000 0.000 0.276 86 V C 1.266 177.164 176.094 -0.327 0.000 1.030 86 V CA 1.785 63.808 62.300 -0.460 0.000 1.033 86 V CB 0.521 32.042 31.823 -0.505 0.000 0.993 86 V HN 1.126 nan 8.190 nan 0.000 0.477 87 G N 3.819 112.438 108.800 -0.301 0.000 2.176 87 G HA2 -0.164 3.796 3.960 0.000 0.000 0.232 87 G HA3 -0.164 3.796 3.960 0.000 0.000 0.232 87 G C 0.583 175.221 174.900 -0.437 0.000 0.986 87 G CA 0.246 45.087 45.100 -0.433 0.000 0.643 87 G HN 1.165 nan 8.290 nan 0.000 0.522 88 G N -0.500 108.118 108.800 -0.304 0.000 3.311 88 G HA2 0.510 4.470 3.960 0.000 0.000 0.169 88 G HA3 0.510 4.470 3.960 0.000 0.000 0.169 88 G C -0.205 174.503 174.900 -0.319 0.000 1.852 88 G CA -0.026 44.898 45.100 -0.293 0.000 1.010 88 G HN 0.541 nan 8.290 nan 0.000 0.530 89 H N 0.476 119.532 119.070 -0.024 0.000 2.476 89 H HA 0.389 4.945 4.556 0.000 0.000 0.328 89 H C -0.285 175.070 175.328 0.046 0.000 1.073 89 H CA -0.584 55.467 56.048 0.005 0.000 1.229 89 H CB 1.575 31.332 29.762 -0.007 0.000 1.432 89 H HN 0.240 nan 8.280 nan 0.000 0.477 90 E N 2.101 122.414 120.200 0.188 0.000 2.383 90 E HA 0.036 4.387 4.350 0.000 0.000 0.264 90 E C 0.144 176.864 176.600 0.200 0.000 1.050 90 E CA 0.086 56.604 56.400 0.197 0.000 0.896 90 E CB 1.997 31.802 29.700 0.175 0.000 0.982 90 E HN 0.407 nan 8.360 nan 0.000 0.424 91 V N 2.205 122.266 119.914 0.245 0.000 3.350 91 V HA 0.087 4.207 4.120 0.000 0.000 0.246 91 V C -0.737 175.547 176.094 0.316 0.000 1.363 91 V CA 0.033 62.469 62.300 0.227 0.000 1.162 91 V CB 0.502 32.453 31.823 0.214 0.000 0.947 91 V HN 0.615 nan 8.190 nan 0.000 0.454 92 Y N 0.783 121.210 120.300 0.211 0.000 2.409 92 Y HA 0.605 5.155 4.550 0.000 0.000 0.321 92 Y C -0.889 175.201 175.900 0.316 0.000 1.209 92 Y CA -1.405 56.798 58.100 0.172 0.000 1.086 92 Y CB 1.132 39.594 38.460 0.004 0.000 1.320 92 Y HN 0.115 nan 8.280 nan 0.000 0.440 93 R N 6.484 126.781 120.500 -0.338 0.000 2.686 93 R HA 0.775 5.115 4.340 0.000 0.000 0.286 93 R C -1.781 174.255 176.300 -0.440 0.000 0.969 93 R CA -0.752 55.212 56.100 -0.227 0.000 0.898 93 R CB 1.326 31.598 30.300 -0.047 0.000 1.183 93 R HN 0.760 nan 8.270 nan 0.000 0.456 94 I N 6.036 126.478 120.570 -0.214 0.000 2.405 94 I HA 0.320 4.490 4.170 0.000 0.000 0.280 94 I C -2.060 174.022 176.117 -0.059 0.000 1.027 94 I CA -2.297 58.922 61.300 -0.135 0.000 1.161 94 I CB 1.913 39.909 38.000 -0.005 0.000 1.300 94 I HN 0.384 nan 8.210 nan 0.000 0.463 95 P HA 0.151 nan 4.420 nan 0.000 0.276 95 P C -0.126 177.193 177.300 0.031 0.000 1.243 95 P CA 0.006 63.106 63.100 0.001 0.000 0.768 95 P CB 1.374 33.079 31.700 0.008 0.000 0.856 96 L N 2.437 123.686 121.223 0.043 0.000 3.229 96 L HA 0.320 4.660 4.340 0.000 0.000 0.286 96 L C 1.328 178.248 176.870 0.083 0.000 1.239 96 L CA -0.130 54.752 54.840 0.071 0.000 1.035 96 L CB 0.091 42.199 42.059 0.081 0.000 1.408 96 L HN 0.640 nan 8.230 nan 0.000 0.593 97 G N 1.330 110.173 108.800 0.072 0.000 2.569 97 G HA2 -0.273 3.687 3.960 0.000 0.000 0.259 97 G HA3 -0.273 3.687 3.960 0.000 0.000 0.259 97 G C -0.032 174.933 174.900 0.107 0.000 1.263 97 G CA 0.059 45.206 45.100 0.078 0.000 0.928 97 G HN 0.373 nan 8.290 nan 0.000 0.572 98 T N -3.810 110.813 114.554 0.115 0.000 2.865 98 T HA 0.858 5.208 4.350 0.000 0.000 0.294 98 T C 1.462 176.261 174.700 0.166 0.000 1.119 98 T CA 0.650 62.846 62.100 0.160 0.000 1.007 98 T CB 1.478 70.409 68.868 0.105 0.000 1.225 98 T HN 2.271 nan 8.240 nan 0.000 0.515 99 A N 1.021 123.979 122.820 0.231 0.000 1.873 99 A HA -0.086 4.234 4.320 0.000 0.000 0.218 99 A C 1.721 179.377 177.584 0.121 0.000 1.193 99 A CA 2.075 54.231 52.037 0.198 0.000 0.629 99 A CB -1.152 18.015 19.000 0.279 0.000 0.826 99 A HN 0.899 nan 8.150 nan 0.000 0.447 100 D N -1.469 118.988 120.400 0.094 0.000 2.363 100 D HA 0.014 4.654 4.640 0.000 0.000 0.226 100 D C 1.345 177.676 176.300 0.052 0.000 1.020 100 D CA 1.230 55.265 54.000 0.059 0.000 0.892 100 D CB -0.069 40.752 40.800 0.036 0.000 0.900 100 D HN 0.414 nan 8.370 nan 0.000 0.531 101 T N 0.079 114.671 114.554 0.062 0.000 3.038 101 T HA 0.029 4.380 4.350 0.000 0.000 0.244 101 T C 0.883 175.617 174.700 0.057 0.000 1.016 101 T CA -0.348 61.784 62.100 0.052 0.000 1.098 101 T CB 0.808 69.705 68.868 0.048 0.000 0.954 101 T HN 0.224 nan 8.240 nan 0.000 0.469 102 R N 1.596 122.138 120.500 0.071 0.000 2.811 102 R HA 0.532 4.872 4.340 0.000 0.000 0.265 102 R C 0.099 176.437 176.300 0.065 0.000 1.026 102 R CA -0.220 55.923 56.100 0.071 0.000 1.142 102 R CB 0.194 30.545 30.300 0.085 0.000 1.027 102 R HN 0.141 nan 8.270 nan 0.000 0.465 103 A N 2.099 124.956 122.820 0.062 0.000 2.407 103 A HA 0.182 4.502 4.320 0.000 0.000 0.248 103 A C -0.055 177.569 177.584 0.066 0.000 1.082 103 A CA -0.392 51.679 52.037 0.058 0.000 0.785 103 A CB 0.300 19.331 19.000 0.052 0.000 1.020 103 A HN 0.768 nan 8.150 nan 0.000 0.489 104 T N 4.815 119.411 114.554 0.070 0.000 2.902 104 T HA 0.329 4.679 4.350 0.000 0.000 0.301 104 T C -1.764 172.987 174.700 0.086 0.000 1.012 104 T CA -0.120 62.035 62.100 0.092 0.000 1.151 104 T CB -0.085 68.851 68.868 0.112 0.000 0.946 104 T HN 0.644 nan 8.240 nan 0.000 0.542 105 P HA 0.271 nan 4.420 nan 0.000 0.274 105 P C 0.032 177.352 177.300 0.032 0.000 1.237 105 P CA -0.371 62.757 63.100 0.046 0.000 0.793 105 P CB 1.237 32.977 31.700 0.066 0.000 0.977 106 E N -0.521 119.619 120.200 -0.100 0.000 2.447 106 E HA -0.011 4.339 4.350 0.000 0.000 0.204 106 E C 1.028 177.601 176.600 -0.046 0.000 0.977 106 E CA 0.172 56.515 56.400 -0.094 0.000 0.950 106 E CB 0.049 29.629 29.700 -0.200 0.000 0.975 106 E HN 0.515 nan 8.360 nan 0.000 0.496 107 H N -0.554 118.562 119.070 0.076 0.000 2.539 107 H HA 0.207 4.764 4.556 0.000 0.000 0.269 107 H C 0.293 175.519 175.328 -0.170 0.000 0.980 107 H CA 0.673 56.719 56.048 -0.004 0.000 1.152 107 H CB 0.804 30.593 29.762 0.046 0.000 1.407 107 H HN -0.033 nan 8.280 nan 0.000 0.564 108 T N 0.221 114.704 114.554 -0.119 0.000 2.840 108 T HA 0.211 4.561 4.350 0.000 0.000 0.317 108 T C -2.255 171.999 174.700 -0.742 0.000 1.401 108 T CA -1.399 60.420 62.100 -0.469 0.000 1.028 108 T CB 2.356 71.113 68.868 -0.185 0.000 1.317 108 T HN -0.128 nan 8.240 nan 0.000 0.495 109 P HA 0.282 nan 4.420 nan 0.000 0.239 109 P C -0.236 176.990 177.300 -0.124 0.000 1.188 109 P CA 0.358 63.104 63.100 -0.590 0.000 0.794 109 P CB 0.543 31.812 31.700 -0.719 0.000 0.937 110 E N 1.597 121.729 120.200 -0.114 0.000 2.331 110 E HA 0.308 4.658 4.350 0.000 0.000 0.243 110 E C -2.372 174.242 176.600 0.024 0.000 0.925 110 E CA -2.143 54.252 56.400 -0.009 0.000 0.760 110 E CB 1.914 31.611 29.700 -0.005 0.000 1.254 110 E HN 0.292 nan 8.360 nan 0.000 0.419 111 P HA -0.017 nan 4.420 nan 0.000 0.275 111 P C -0.086 177.225 177.300 0.018 0.000 1.270 111 P CA -0.338 62.792 63.100 0.051 0.000 0.791 111 P CB 0.674 32.413 31.700 0.064 0.000 1.089 112 D N -1.205 119.190 120.400 -0.008 0.000 2.360 112 D HA 0.363 5.003 4.640 0.000 0.000 0.242 112 D C -0.525 175.756 176.300 -0.033 0.000 1.184 112 D CA -0.435 53.539 54.000 -0.043 0.000 0.930 112 D CB 0.123 40.881 40.800 -0.069 0.000 1.161 112 D HN 0.497 nan 8.370 nan 0.000 0.447 113 A N 0.350 123.135 122.820 -0.058 0.000 2.479 113 A HA 0.580 4.900 4.320 0.000 0.000 0.296 113 A C -0.967 176.497 177.584 -0.200 0.000 1.121 113 A CA -0.904 51.076 52.037 -0.095 0.000 0.743 113 A CB 1.357 20.331 19.000 -0.043 0.000 1.323 113 A HN 0.464 nan 8.150 nan 0.000 0.415 114 I N 0.656 121.010 120.570 -0.360 0.000 2.330 114 I HA 0.413 4.583 4.170 0.000 0.000 0.289 114 I C -0.635 175.333 176.117 -0.248 0.000 1.001 114 I CA -0.360 60.607 61.300 -0.555 0.000 1.193 114 I CB 0.572 37.686 38.000 -1.475 0.000 1.345 114 I HN 0.600 nan 8.210 nan 0.000 0.461 115 C N 9.988 129.197 119.300 -0.151 0.000 3.171 115 C HA 0.386 4.846 4.460 0.000 0.000 0.336 115 C C -2.462 172.478 174.990 -0.083 0.000 1.035 115 C CA -1.136 57.887 59.018 0.008 0.000 1.361 115 C CB 1.169 28.917 27.740 0.013 0.000 1.804 115 C HN 0.550 nan 8.230 nan 0.000 0.535 116 P HA -0.007 nan 4.420 nan 0.000 0.267 116 P C 0.513 177.692 177.300 -0.203 0.000 1.200 116 P CA 0.759 63.700 63.100 -0.265 0.000 0.772 116 P CB 0.740 32.185 31.700 -0.424 0.000 0.855 117 Q N 1.628 121.383 119.800 -0.075 0.000 2.248 117 Q HA -0.227 4.113 4.340 0.000 0.000 0.208 117 Q C 1.935 177.940 176.000 0.008 0.000 0.984 117 Q CA 1.479 57.267 55.803 -0.024 0.000 0.875 117 Q CB -0.270 28.465 28.738 -0.004 0.000 0.910 117 Q HN 0.598 nan 8.270 nan 0.000 0.433 118 H N -2.709 116.294 119.070 -0.112 0.000 2.546 118 H HA -0.113 4.444 4.556 0.000 0.000 0.277 118 H C 0.740 176.136 175.328 0.113 0.000 1.004 118 H CA 0.689 56.706 56.048 -0.051 0.000 1.231 118 H CB -0.252 29.433 29.762 -0.128 0.000 1.382 118 H HN 0.391 nan 8.280 nan 0.000 0.580 119 W N 0.437 121.476 121.300 -0.436 0.000 2.699 119 W HA 0.149 4.810 4.660 0.001 0.000 0.265 119 W C 2.185 178.595 176.519 -0.183 0.000 1.210 119 W CA -0.364 56.785 57.345 -0.327 0.000 1.414 119 W CB -0.745 28.484 29.460 -0.385 0.000 1.043 119 W HN 0.193 nan 8.180 nan 0.000 0.599 120 L N 1.322 122.582 121.223 0.062 0.000 2.093 120 L HA 0.012 4.353 4.340 0.000 0.000 0.208 120 L C 2.318 179.186 176.870 -0.003 0.000 1.085 120 L CA 2.420 57.257 54.840 -0.006 0.000 0.755 120 L CB -1.141 40.899 42.059 -0.032 0.000 0.904 120 L HN -0.108 nan 8.230 nan 0.000 0.435 121 A N 0.157 122.991 122.820 0.024 0.000 1.883 121 A HA -0.100 4.220 4.320 0.000 0.000 0.217 121 A C 0.102 177.703 177.584 0.028 0.000 1.186 121 A CA 1.893 53.948 52.037 0.030 0.000 0.624 121 A CB -2.018 17.007 19.000 0.043 0.000 0.822 121 A HN 0.425 nan 8.150 nan 0.000 0.444 122 P HA -0.109 nan 4.420 nan 0.000 0.217 122 P C 1.402 178.706 177.300 0.008 0.000 1.150 122 P CA 0.603 63.720 63.100 0.029 0.000 0.832 122 P CB -0.005 31.720 31.700 0.041 0.000 0.787 123 L N -1.195 120.023 121.223 -0.008 0.000 2.027 123 L HA -0.119 4.221 4.340 0.000 0.000 0.206 123 L C 2.323 179.183 176.870 -0.017 0.000 1.074 123 L CA 1.756 56.578 54.840 -0.031 0.000 0.745 123 L CB -1.548 40.468 42.059 -0.071 0.000 0.898 123 L HN -0.063 nan 8.230 nan 0.000 0.433 124 L N -1.423 119.792 121.223 -0.014 0.000 2.027 124 L HA -0.170 4.170 4.340 0.000 0.000 0.206 124 L C 2.638 179.525 176.870 0.028 0.000 1.074 124 L CA 1.146 55.996 54.840 0.016 0.000 0.745 124 L CB -0.923 41.155 42.059 0.031 0.000 0.898 124 L HN 0.259 nan 8.230 nan 0.000 0.433 125 A N 0.068 122.902 122.820 0.024 0.000 1.908 125 A HA -0.289 4.031 4.320 0.000 0.000 0.218 125 A C 2.266 179.865 177.584 0.025 0.000 1.181 125 A CA 2.096 54.148 52.037 0.025 0.000 0.627 125 A CB -0.597 18.417 19.000 0.023 0.000 0.818 125 A HN 0.502 nan 8.150 nan 0.000 0.445 126 E N -0.413 119.799 120.200 0.021 0.000 2.204 126 E HA -0.065 4.285 4.350 0.000 0.000 0.194 126 E C 2.005 178.625 176.600 0.032 0.000 0.989 126 E CA 0.868 57.281 56.400 0.021 0.000 0.824 126 E CB -0.201 29.507 29.700 0.012 0.000 0.756 126 E HN 0.573 nan 8.360 nan 0.000 0.477 127 A N 0.237 123.082 122.820 0.042 0.000 1.874 127 A HA -0.054 4.266 4.320 0.000 0.000 0.214 127 A C 2.299 179.922 177.584 0.064 0.000 1.189 127 A CA 0.950 53.027 52.037 0.067 0.000 0.615 127 A CB -0.381 18.674 19.000 0.092 0.000 0.830 127 A HN 0.199 nan 8.150 nan 0.000 0.443 128 V N -0.364 119.581 119.914 0.053 0.000 2.626 128 V HA 0.102 4.222 4.120 0.000 0.000 0.252 128 V C 1.952 178.078 176.094 0.053 0.000 1.067 128 V CA 0.929 63.266 62.300 0.062 0.000 1.081 128 V CB -1.902 29.953 31.823 0.053 0.000 0.686 128 V HN 1.037 nan 8.190 nan 0.000 0.468 129 G N 0.424 109.245 108.800 0.035 0.000 2.582 129 G HA2 -0.412 3.548 3.960 0.000 0.000 0.288 129 G HA3 -0.412 3.548 3.960 0.000 0.000 0.288 129 G C 0.962 175.866 174.900 0.007 0.000 1.247 129 G CA 0.532 45.644 45.100 0.020 0.000 0.972 129 G HN 0.292 nan 8.290 nan 0.000 0.557 130 E N 0.703 120.900 120.200 -0.005 0.000 2.147 130 E HA -0.178 4.172 4.350 0.000 0.000 0.199 130 E C 2.600 179.181 176.600 -0.031 0.000 1.005 130 E CA 1.786 58.175 56.400 -0.018 0.000 0.810 130 E CB -0.235 29.450 29.700 -0.025 0.000 0.736 130 E HN 0.560 nan 8.360 nan 0.000 0.460 131 R N -0.099 120.372 120.500 -0.049 0.000 2.357 131 R HA -0.044 4.297 4.340 0.000 0.000 0.202 131 R C 0.533 176.815 176.300 -0.029 0.000 1.047 131 R CA -0.100 55.950 56.100 -0.084 0.000 1.034 131 R CB -0.199 29.973 30.300 -0.212 0.000 0.875 131 R HN -0.009 nan 8.270 nan 0.000 0.473 132 L N 1.277 122.498 121.223 -0.003 0.000 2.275 132 L HA 0.265 4.605 4.340 0.000 0.000 0.288 132 L C -0.722 176.150 176.870 0.003 0.000 1.046 132 L CA -0.336 54.510 54.840 0.011 0.000 0.805 132 L CB 1.018 43.088 42.059 0.019 0.000 1.193 132 L HN -0.135 nan 8.230 nan 0.000 0.426 133 R N 3.611 124.114 120.500 0.005 0.000 2.337 133 R HA 0.418 4.758 4.340 0.000 0.000 0.319 133 R C -0.405 175.900 176.300 0.008 0.000 0.954 133 R CA -0.461 55.642 56.100 0.003 0.000 0.840 133 R CB 0.879 31.179 30.300 0.000 0.000 1.164 133 R HN 0.812 nan 8.270 nan 0.000 0.472 134 T N -0.467 114.092 114.554 0.008 0.000 2.874 134 T HA 0.338 4.688 4.350 0.000 0.000 0.281 134 T C 0.553 175.258 174.700 0.009 0.000 0.994 134 T CA -0.794 61.313 62.100 0.010 0.000 1.015 134 T CB 1.131 70.006 68.868 0.012 0.000 1.028 134 T HN 0.565 nan 8.240 nan 0.000 0.523 135 R N -0.374 120.132 120.500 0.011 0.000 3.531 135 R HA -0.122 4.219 4.340 0.000 0.000 0.280 135 R C -0.818 175.488 176.300 0.010 0.000 1.130 135 R CA 0.474 56.580 56.100 0.010 0.000 0.757 135 R CB -2.792 27.513 30.300 0.009 0.000 1.218 135 R HN 0.790 nan 8.270 nan 0.000 0.454 136 S N 0.438 116.145 115.700 0.011 0.000 2.659 136 S HA 0.483 4.953 4.470 0.000 0.000 0.312 136 S C -0.148 174.462 174.600 0.016 0.000 1.114 136 S CA -0.888 57.319 58.200 0.012 0.000 1.063 136 S CB 2.735 65.942 63.200 0.011 0.000 0.996 136 S HN 0.302 nan 8.310 nan 0.000 0.478 137 R N 2.937 123.448 120.500 0.018 0.000 2.387 137 R HA 0.483 4.823 4.340 0.000 0.000 0.314 137 R C -1.009 175.309 176.300 0.031 0.000 0.958 137 R CA -0.714 55.399 56.100 0.023 0.000 0.846 137 R CB 0.787 31.099 30.300 0.020 0.000 1.147 137 R HN 0.700 nan 8.270 nan 0.000 0.447 138 L N 5.703 126.950 121.223 0.040 0.000 2.315 138 L HA 0.158 4.498 4.340 0.000 0.000 0.283 138 L C 0.187 177.098 176.870 0.069 0.000 1.089 138 L CA -0.067 54.809 54.840 0.060 0.000 0.833 138 L CB 0.828 42.929 42.059 0.070 0.000 1.170 138 L HN 0.832 nan 8.230 nan 0.000 0.442 139 D N 2.317 122.754 120.400 0.062 0.000 2.201 139 D HA 0.021 4.661 4.640 0.000 0.000 0.209 139 D C 0.363 176.694 176.300 0.053 0.000 0.961 139 D CA 0.822 54.851 54.000 0.048 0.000 0.861 139 D CB 0.495 41.311 40.800 0.027 0.000 0.997 139 D HN 0.603 nan 8.370 nan 0.000 0.486 140 S N -0.259 115.482 115.700 0.069 0.000 2.615 140 S HA 0.607 5.077 4.470 0.000 0.000 0.269 140 S C -1.320 173.351 174.600 0.119 0.000 1.161 140 S CA -1.100 57.113 58.200 0.022 0.000 0.817 140 S CB 1.731 64.887 63.200 -0.073 0.000 1.131 140 S HN 0.178 nan 8.310 nan 0.000 0.467 141 F N -0.919 119.028 119.950 -0.005 0.000 2.608 141 F HA 0.842 5.369 4.527 0.000 0.000 0.309 141 F C -0.948 174.832 175.800 -0.032 0.000 1.103 141 F CA -0.729 57.264 58.000 -0.012 0.000 0.954 141 F CB 1.631 40.625 39.000 -0.009 0.000 1.267 141 F HN 0.872 nan 8.300 nan 0.000 0.444 142 E N 2.958 123.203 120.200 0.074 0.000 2.218 142 E HA 0.277 4.628 4.350 0.000 0.000 0.263 142 E C -1.475 175.125 176.600 0.001 0.000 0.879 142 E CA -0.702 55.683 56.400 -0.024 0.000 0.762 142 E CB 1.645 31.306 29.700 -0.064 0.000 1.166 142 E HN 0.843 nan 8.360 nan 0.000 0.415 143 Q N 3.857 123.668 119.800 0.019 0.000 2.295 143 Q HA 0.249 4.589 4.340 0.000 0.000 0.259 143 Q C -0.064 175.856 176.000 -0.134 0.000 0.976 143 Q CA -0.404 55.372 55.803 -0.045 0.000 0.923 143 Q CB 1.141 29.887 28.738 0.014 0.000 1.185 143 Q HN 0.294 nan 8.270 nan 0.000 0.410 144 R N 1.895 122.234 120.500 -0.267 0.000 2.748 144 R HA 0.178 4.518 4.340 0.000 0.000 0.220 144 R C 0.550 176.772 176.300 -0.129 0.000 1.404 144 R CA -0.562 55.396 56.100 -0.236 0.000 1.039 144 R CB 0.023 30.076 30.300 -0.410 0.000 1.904 144 R HN 0.568 nan 8.270 nan 0.000 0.529 145 D N 0.807 121.181 120.400 -0.044 0.000 2.077 145 D HA -0.153 4.487 4.640 0.000 0.000 0.193 145 D C 0.643 176.945 176.300 0.004 0.000 0.989 145 D CA 1.814 55.810 54.000 -0.007 0.000 0.831 145 D CB 0.045 40.854 40.800 0.015 0.000 0.979 145 D HN 0.556 nan 8.370 nan 0.000 0.449 146 D N -0.613 119.834 120.400 0.078 0.000 2.538 146 D HA 0.007 4.647 4.640 0.000 0.000 0.231 146 D C 0.100 176.444 176.300 0.072 0.000 1.229 146 D CA -0.225 53.797 54.000 0.036 0.000 0.828 146 D CB -0.189 40.616 40.800 0.007 0.000 1.035 146 D HN 0.443 nan 8.370 nan 0.000 0.495 147 H N -2.558 116.413 119.070 -0.166 0.000 2.917 147 H HA 0.476 5.032 4.556 0.000 0.000 0.299 147 H C -1.966 173.276 175.328 -0.144 0.000 1.418 147 H CA -0.795 55.142 56.048 -0.184 0.000 1.138 147 H CB 0.643 30.307 29.762 -0.163 0.000 1.830 147 H HN -0.193 nan 8.280 nan 0.000 0.514 148 V N 1.577 121.351 119.914 -0.233 0.000 2.555 148 V HA 0.524 4.644 4.120 0.000 0.000 0.302 148 V C 0.087 176.105 176.094 -0.127 0.000 1.038 148 V CA -0.857 61.320 62.300 -0.205 0.000 0.887 148 V CB 1.672 33.459 31.823 -0.059 0.000 0.991 148 V HN 0.599 nan 8.190 nan 0.000 0.434 149 R N 2.878 123.310 120.500 -0.114 0.000 2.295 149 R HA 0.822 5.162 4.340 0.000 0.000 0.324 149 R C -0.531 175.866 176.300 0.161 0.000 0.968 149 R CA -0.333 55.818 56.100 0.085 0.000 0.837 149 R CB 1.916 32.217 30.300 0.000 0.000 1.133 149 R HN 0.821 nan 8.270 nan 0.000 0.450 150 A N 1.589 124.526 122.820 0.196 0.000 2.435 150 A HA 0.562 4.882 4.320 0.000 0.000 0.304 150 A C -0.435 177.219 177.584 0.117 0.000 1.064 150 A CA -0.827 51.309 52.037 0.165 0.000 0.727 150 A CB 1.695 20.791 19.000 0.159 0.000 1.284 150 A HN 0.649 nan 8.150 nan 0.000 0.415 151 T N 0.891 115.501 114.554 0.093 0.000 2.753 151 T HA 0.594 4.944 4.350 0.000 0.000 0.297 151 T C -0.279 174.451 174.700 0.051 0.000 0.981 151 T CA -0.416 61.718 62.100 0.058 0.000 0.956 151 T CB 0.235 69.128 68.868 0.041 0.000 0.936 151 T HN 0.347 nan 8.240 nan 0.000 0.463 152 I N 3.623 124.215 120.570 0.037 0.000 2.330 152 I HA 0.248 4.419 4.170 0.000 0.000 0.289 152 I C 0.488 176.617 176.117 0.020 0.000 1.001 152 I CA -0.630 60.688 61.300 0.031 0.000 1.193 152 I CB 0.942 38.958 38.000 0.026 0.000 1.345 152 I HN 0.655 nan 8.210 nan 0.000 0.461 153 T N 4.802 119.368 114.554 0.019 0.000 2.729 153 T HA 0.057 4.408 4.350 0.000 0.000 0.296 153 T C 0.292 174.999 174.700 0.011 0.000 0.928 153 T CA -0.342 61.766 62.100 0.013 0.000 1.045 153 T CB 0.598 69.474 68.868 0.013 0.000 0.902 153 T HN 0.414 nan 8.240 nan 0.000 0.500 154 D N 3.933 124.337 120.400 0.007 0.000 2.348 154 D HA 0.033 4.674 4.640 0.000 0.000 0.259 154 D C 1.143 177.447 176.300 0.006 0.000 1.296 154 D CA -0.206 53.797 54.000 0.006 0.000 0.931 154 D CB 0.407 41.209 40.800 0.003 0.000 1.067 154 D HN 0.511 nan 8.370 nan 0.000 0.503 155 L N 3.396 124.624 121.223 0.008 0.000 2.447 155 L HA -0.139 4.202 4.340 0.000 0.000 0.225 155 L C 2.590 179.465 176.870 0.007 0.000 1.148 155 L CA 0.469 55.314 54.840 0.008 0.000 0.808 155 L CB -0.223 41.841 42.059 0.009 0.000 0.928 155 L HN 0.350 nan 8.230 nan 0.000 0.448 156 R N 0.193 120.697 120.500 0.006 0.000 2.060 156 R HA -0.109 4.231 4.340 0.000 0.000 0.225 156 R C 2.388 178.690 176.300 0.004 0.000 1.155 156 R CA 2.190 58.293 56.100 0.005 0.000 0.930 156 R CB -0.592 29.710 30.300 0.005 0.000 0.829 156 R HN 0.409 nan 8.270 nan 0.000 0.433 157 T N -3.344 111.212 114.554 0.003 0.000 3.043 157 T HA 0.129 4.479 4.350 0.000 0.000 0.263 157 T C 1.389 176.091 174.700 0.002 0.000 1.094 157 T CA 1.104 63.206 62.100 0.002 0.000 1.127 157 T CB 0.392 69.261 68.868 0.001 0.000 0.905 157 T HN 0.507 nan 8.240 nan 0.000 0.490 158 G N 1.252 110.054 108.800 0.003 0.000 2.194 158 G HA2 -0.018 3.942 3.960 0.000 0.000 0.236 158 G HA3 -0.018 3.942 3.960 0.000 0.000 0.236 158 G C 0.349 175.251 174.900 0.003 0.000 0.987 158 G CA -0.078 45.024 45.100 0.003 0.000 0.635 158 G HN 1.148 nan 8.290 nan 0.000 0.520 159 A N 0.500 123.321 122.820 0.002 0.000 2.425 159 A HA 0.694 5.014 4.320 0.000 0.000 0.242 159 A C 0.831 178.415 177.584 0.001 0.000 1.077 159 A CA 1.324 53.361 52.037 0.000 0.000 0.781 159 A CB 0.286 19.285 19.000 -0.002 0.000 1.020 159 A HN 1.819 nan 8.150 nan 0.000 0.494 160 T N -1.558 112.996 114.554 0.001 0.000 2.829 160 T HA 0.817 5.167 4.350 0.000 0.000 0.280 160 T C -0.146 174.553 174.700 -0.002 0.000 0.999 160 T CA 0.014 62.115 62.100 0.003 0.000 0.983 160 T CB 1.369 70.240 68.868 0.005 0.000 0.968 160 T HN 1.419 nan 8.240 nan 0.000 0.446 161 R N 0.921 121.421 120.500 -0.001 0.000 2.892 161 R HA 0.991 5.331 4.340 0.000 0.000 0.265 161 R C -0.354 175.940 176.300 -0.010 0.000 1.025 161 R CA -0.782 55.311 56.100 -0.011 0.000 0.982 161 R CB 0.883 31.174 30.300 -0.014 0.000 1.185 161 R HN 1.449 nan 8.270 nan 0.000 0.484 162 A N 0.409 123.208 122.820 -0.034 0.000 2.350 162 A HA 0.760 5.080 4.320 0.000 0.000 0.324 162 A C -1.027 176.516 177.584 -0.068 0.000 1.118 162 A CA -0.628 51.385 52.037 -0.039 0.000 0.783 162 A CB 1.759 20.714 19.000 -0.075 0.000 1.236 162 A HN 0.903 nan 8.150 nan 0.000 0.457 163 V N 2.950 122.868 119.914 0.007 0.000 2.531 163 V HA 0.335 4.455 4.120 0.000 0.000 0.301 163 V C -0.776 175.438 176.094 0.199 0.000 1.034 163 V CA -0.399 61.923 62.300 0.036 0.000 0.865 163 V CB 1.573 33.426 31.823 0.050 0.000 0.995 163 V HN 0.987 nan 8.190 nan 0.000 0.424 164 H N 3.295 122.412 119.070 0.078 0.000 2.541 164 H HA 0.773 5.329 4.556 0.000 0.000 0.316 164 H C -0.029 175.360 175.328 0.102 0.000 1.043 164 H CA -0.376 55.762 56.048 0.151 0.000 1.232 164 H CB 1.799 31.662 29.762 0.167 0.000 1.406 164 H HN 0.809 nan 8.280 nan 0.000 0.469 165 A N 2.851 125.798 122.820 0.211 0.000 2.498 165 A HA 0.321 4.641 4.320 0.000 0.000 0.298 165 A C 0.746 178.357 177.584 0.045 0.000 1.075 165 A CA -0.905 51.198 52.037 0.109 0.000 0.714 165 A CB 1.592 20.644 19.000 0.087 0.000 1.299 165 A HN 0.870 nan 8.150 nan 0.000 0.407 166 R N -0.464 120.019 120.500 -0.029 0.000 2.096 166 R HA -0.040 4.300 4.340 0.000 0.000 0.235 166 R C -0.643 175.314 176.300 -0.571 0.000 1.127 166 R CA 1.477 57.418 56.100 -0.265 0.000 0.968 166 R CB -0.166 29.998 30.300 -0.227 0.000 0.861 166 R HN 0.663 nan 8.270 nan 0.000 0.440 167 Y N -0.675 119.647 120.300 0.037 0.000 2.492 167 Y HA 0.376 4.926 4.550 0.000 0.000 0.346 167 Y C -0.547 175.363 175.900 0.016 0.000 0.997 167 Y CA -1.166 56.957 58.100 0.038 0.000 1.025 167 Y CB 1.942 40.393 38.460 -0.015 0.000 1.263 167 Y HN -0.168 nan 8.280 nan 0.000 0.454 168 L N 4.587 125.918 121.223 0.179 0.000 2.342 168 L HA 0.674 5.015 4.340 0.000 0.000 0.276 168 L C -1.742 175.165 176.870 0.062 0.000 0.997 168 L CA -0.761 54.106 54.840 0.045 0.000 0.838 168 L CB 0.991 42.994 42.059 -0.094 0.000 1.224 168 L HN 0.491 nan 8.230 nan 0.000 0.416 169 V N 4.822 124.748 119.914 0.021 0.000 2.370 169 V HA 0.555 4.675 4.120 0.000 0.000 0.283 169 V C 0.621 176.695 176.094 -0.033 0.000 1.023 169 V CA -0.615 61.688 62.300 0.005 0.000 0.857 169 V CB 1.392 33.172 31.823 -0.072 0.000 0.985 169 V HN 0.897 nan 8.190 nan 0.000 0.443 170 A N 4.061 126.858 122.820 -0.037 0.000 2.294 170 A HA 0.474 4.794 4.320 0.000 0.000 0.316 170 A C 0.161 177.712 177.584 -0.056 0.000 1.359 170 A CA -0.283 51.718 52.037 -0.059 0.000 0.956 170 A CB -0.027 18.923 19.000 -0.084 0.000 1.155 170 A HN 0.923 nan 8.150 nan 0.000 0.544 171 C N 2.953 122.223 119.300 -0.050 0.000 2.641 171 C HA 0.264 4.724 4.460 0.000 0.000 0.294 171 C C 0.656 175.620 174.990 -0.042 0.000 1.496 171 C CA -0.722 58.264 59.018 -0.054 0.000 1.672 171 C CB -1.148 26.567 27.740 -0.042 0.000 2.763 171 C HN 0.847 nan 8.230 nan 0.000 0.545 172 D N 0.090 120.464 120.400 -0.043 0.000 2.395 172 D HA 0.361 5.001 4.640 0.000 0.000 0.226 172 D C 0.965 177.247 176.300 -0.029 0.000 1.146 172 D CA 0.444 54.427 54.000 -0.027 0.000 0.830 172 D CB 0.023 40.815 40.800 -0.014 0.000 0.958 172 D HN 0.643 nan 8.370 nan 0.000 0.501 173 G N -0.177 108.598 108.800 -0.042 0.000 2.757 173 G HA2 -0.032 3.928 3.960 0.000 0.000 0.638 173 G HA3 -0.032 3.928 3.960 0.000 0.000 0.638 173 G C 0.896 175.772 174.900 -0.041 0.000 1.344 173 G CA 0.126 45.203 45.100 -0.039 0.000 0.855 173 G HN 0.609 nan 8.290 nan 0.000 0.537 174 A N -0.298 122.506 122.820 -0.026 0.000 1.948 174 A HA 0.145 4.465 4.320 0.000 0.000 0.220 174 A C 2.507 180.089 177.584 -0.003 0.000 1.177 174 A CA 3.225 55.255 52.037 -0.011 0.000 0.636 174 A CB -0.621 18.389 19.000 0.017 0.000 0.815 174 A HN 2.429 nan 8.150 nan 0.000 0.449 175 S N -0.472 115.227 115.700 -0.002 0.000 2.685 175 S HA 0.270 4.740 4.470 0.000 0.000 0.240 175 S C 0.498 175.100 174.600 0.003 0.000 0.967 175 S CA 0.409 58.612 58.200 0.005 0.000 1.009 175 S CB -0.797 62.404 63.200 0.002 0.000 0.776 175 S HN 0.449 nan 8.310 nan 0.000 0.467 176 S N 3.227 118.923 115.700 -0.008 0.000 3.631 176 S HA 0.033 4.503 4.470 0.000 0.000 0.431 176 S C -1.326 173.285 174.600 0.018 0.000 1.132 176 S CA -0.641 57.556 58.200 -0.006 0.000 1.188 176 S CB 0.178 63.360 63.200 -0.029 0.000 0.805 176 S HN 0.349 nan 8.310 nan 0.000 0.526 177 P HA -0.043 nan 4.420 nan 0.000 0.218 177 P C 1.519 178.874 177.300 0.091 0.000 1.149 177 P CA 1.000 64.132 63.100 0.052 0.000 0.817 177 P CB -0.012 31.720 31.700 0.054 0.000 0.785 178 T N -0.676 113.940 114.554 0.103 0.000 2.746 178 T HA -0.181 4.169 4.350 0.000 0.000 0.267 178 T C 1.873 176.647 174.700 0.124 0.000 1.039 178 T CA 1.178 63.377 62.100 0.165 0.000 1.142 178 T CB -0.498 68.389 68.868 0.032 0.000 0.866 178 T HN 0.136 nan 8.240 nan 0.000 0.444 179 R N 0.867 121.398 120.500 0.050 0.000 2.105 179 R HA -0.131 4.209 4.340 0.000 0.000 0.239 179 R C 2.101 178.432 176.300 0.052 0.000 1.135 179 R CA 1.388 57.508 56.100 0.034 0.000 0.967 179 R CB -0.004 30.297 30.300 0.001 0.000 0.861 179 R HN 0.154 nan 8.270 nan 0.000 0.442 180 K N 0.232 120.664 120.400 0.053 0.000 2.057 180 K HA 0.022 4.343 4.320 0.000 0.000 0.206 180 K C 1.866 178.495 176.600 0.047 0.000 1.050 180 K CA 1.465 57.778 56.287 0.043 0.000 0.935 180 K CB -0.391 32.129 32.500 0.033 0.000 0.715 180 K HN 0.254 nan 8.250 nan 0.000 0.439 181 A N 0.569 123.433 122.820 0.073 0.000 1.972 181 A HA -0.102 4.218 4.320 0.000 0.000 0.219 181 A C 1.917 179.538 177.584 0.060 0.000 1.169 181 A CA 1.286 53.348 52.037 0.043 0.000 0.635 181 A CB -0.630 18.390 19.000 0.033 0.000 0.810 181 A HN 0.220 nan 8.150 nan 0.000 0.446 182 L N -1.416 119.882 121.223 0.126 0.000 2.554 182 L HA 0.174 4.514 4.340 0.000 0.000 0.226 182 L C 1.663 178.563 176.870 0.050 0.000 1.137 182 L CA 0.501 55.405 54.840 0.107 0.000 0.863 182 L CB -0.288 41.841 42.059 0.117 0.000 0.985 182 L HN 0.565 nan 8.230 nan 0.000 0.451 183 G N 1.061 109.885 108.800 0.039 0.000 2.147 183 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 183 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 183 G C 0.175 175.090 174.900 0.025 0.000 1.005 183 G CA -0.155 44.959 45.100 0.024 0.000 0.713 183 G HN 0.304 nan 8.290 nan 0.000 0.515 184 I N 0.868 121.458 120.570 0.032 0.000 2.395 184 I HA 0.293 4.463 4.170 0.000 0.000 0.289 184 I C 0.027 176.164 176.117 0.033 0.000 1.023 184 I CA -0.564 60.756 61.300 0.033 0.000 1.350 184 I CB 1.224 39.247 38.000 0.039 0.000 1.409 184 I HN 0.054 nan 8.210 nan 0.000 0.507 185 D N 5.653 126.073 120.400 0.034 0.000 2.193 185 D HA 0.450 5.090 4.640 0.000 0.000 0.244 185 D C -0.756 175.571 176.300 0.044 0.000 1.064 185 D CA -0.385 53.636 54.000 0.034 0.000 0.845 185 D CB 2.082 42.898 40.800 0.028 0.000 1.148 185 D HN 0.622 nan 8.370 nan 0.000 0.464 186 A N 5.277 128.124 122.820 0.044 0.000 2.923 186 A HA 0.376 4.697 4.320 0.000 0.000 0.343 186 A C -2.391 175.226 177.584 0.056 0.000 1.199 186 A CA -1.272 50.799 52.037 0.056 0.000 0.878 186 A CB 0.514 19.543 19.000 0.048 0.000 1.104 186 A HN 0.370 nan 8.150 nan 0.000 0.483 187 P HA 0.126 nan 4.420 nan 0.000 0.264 187 P C -2.766 174.561 177.300 0.046 0.000 1.193 187 P CA -0.774 62.349 63.100 0.039 0.000 0.763 187 P CB 0.299 32.013 31.700 0.023 0.000 0.810 188 P HA 0.078 nan 4.420 nan 0.000 0.271 188 P C 0.640 177.942 177.300 0.003 0.000 1.226 188 P CA -0.002 63.143 63.100 0.074 0.000 0.765 188 P CB 0.676 32.430 31.700 0.090 0.000 0.835 189 R N 2.026 122.503 120.500 -0.037 0.000 2.275 189 R HA 0.123 4.463 4.340 0.000 0.000 0.199 189 R C 0.669 176.605 176.300 -0.607 0.000 0.989 189 R CA 0.669 56.603 56.100 -0.277 0.000 1.016 189 R CB -0.273 29.850 30.300 -0.295 0.000 0.918 189 R HN 0.650 nan 8.270 nan 0.000 0.473 190 H N -0.190 118.801 119.070 -0.131 0.000 2.990 190 H HA 0.277 4.833 4.556 -0.000 0.000 0.343 190 H C -0.610 174.637 175.328 -0.135 0.000 1.270 190 H CA -1.032 54.841 56.048 -0.291 0.000 1.118 190 H CB 1.704 30.972 29.762 -0.823 0.000 1.861 190 H HN -0.175 nan 8.280 nan 0.000 0.544 191 R N 0.962 121.493 120.500 0.053 0.000 2.522 191 R HA 0.093 4.433 4.340 0.000 0.000 0.284 191 R C -0.508 175.886 176.300 0.156 0.000 1.032 191 R CA 0.211 56.357 56.100 0.076 0.000 1.049 191 R CB 0.294 30.620 30.300 0.043 0.000 0.956 191 R HN 0.474 nan 8.270 nan 0.000 0.422 192 T N 4.447 119.070 114.554 0.115 0.000 2.907 192 T HA 0.139 4.489 4.350 0.000 0.000 0.298 192 T C -0.223 174.471 174.700 -0.011 0.000 1.017 192 T CA -0.089 62.067 62.100 0.093 0.000 1.118 192 T CB 1.079 69.961 68.868 0.024 0.000 0.948 192 T HN 0.545 nan 8.240 nan 0.000 0.531 193 Q N 0.883 120.667 119.800 -0.027 0.000 2.458 193 Q HA 0.715 5.055 4.340 0.000 0.000 0.282 193 Q C -1.310 174.504 176.000 -0.310 0.000 1.106 193 Q CA -1.041 54.665 55.803 -0.162 0.000 0.814 193 Q CB 2.476 31.182 28.738 -0.054 0.000 1.425 193 Q HN 0.371 nan 8.270 nan 0.000 0.437 194 V N 1.381 120.964 119.914 -0.551 0.000 2.604 194 V HA 0.629 4.749 4.120 0.000 0.000 0.305 194 V C -1.117 174.433 176.094 -0.905 0.000 1.043 194 V CA -0.541 61.444 62.300 -0.526 0.000 0.888 194 V CB 1.111 32.712 31.823 -0.370 0.000 0.995 194 V HN 0.572 nan 8.190 nan 0.000 0.429 195 F N 2.075 121.602 119.950 -0.704 0.000 2.664 195 F HA 0.741 5.269 4.527 0.002 0.000 0.317 195 F C 0.118 175.677 175.800 -0.402 0.000 1.108 195 F CA -0.982 56.601 58.000 -0.695 0.000 0.957 195 F CB 2.120 40.419 39.000 -1.169 0.000 1.365 195 F HN 0.212 nan 8.300 nan 0.000 0.475 196 R N 0.782 121.360 120.500 0.131 0.000 2.561 196 R HA 0.488 4.828 4.340 0.000 0.000 0.297 196 R C -1.629 174.918 176.300 0.413 0.000 0.969 196 R CA -1.046 55.206 56.100 0.253 0.000 0.879 196 R CB 1.875 32.276 30.300 0.168 0.000 1.178 196 R HN 0.446 nan 8.270 nan 0.000 0.445 197 N N 2.365 121.346 118.700 0.469 0.000 2.443 197 N HA 0.398 5.138 4.740 0.000 0.000 0.269 197 N C -1.086 174.660 175.510 0.392 0.000 0.985 197 N CA -0.397 52.910 53.050 0.429 0.000 0.921 197 N CB 1.367 40.068 38.487 0.356 0.000 1.195 197 N HN 0.423 nan 8.380 nan 0.000 0.492 198 I N 2.461 123.222 120.570 0.318 0.000 2.330 198 I HA 0.270 4.440 4.170 0.000 0.000 0.289 198 I C -0.474 175.799 176.117 0.260 0.000 1.001 198 I CA -0.939 60.525 61.300 0.272 0.000 1.193 198 I CB 1.194 39.337 38.000 0.238 0.000 1.345 198 I HN 0.204 nan 8.210 nan 0.000 0.461 199 L N 9.252 130.515 121.223 0.067 0.000 2.292 199 L HA 0.644 4.984 4.340 0.000 0.000 0.284 199 L C -0.818 176.124 176.870 0.120 0.000 1.065 199 L CA 0.143 54.924 54.840 -0.097 0.000 0.806 199 L CB 0.672 42.418 42.059 -0.521 0.000 1.175 199 L HN 0.486 nan 8.230 nan 0.000 0.431 200 F N 2.079 122.015 119.950 -0.024 0.000 2.686 200 F HA 0.700 5.228 4.527 0.000 0.000 0.311 200 F C -1.107 174.738 175.800 0.075 0.000 1.128 200 F CA -1.254 56.762 58.000 0.026 0.000 0.946 200 F CB 1.228 40.257 39.000 0.048 0.000 1.336 200 F HN 0.302 nan 8.300 nan 0.000 0.457 201 R N 1.290 121.955 120.500 0.274 0.000 2.460 201 R HA 0.834 5.174 4.340 0.000 0.000 0.303 201 R C -1.225 175.289 176.300 0.357 0.000 0.968 201 R CA -1.070 55.146 56.100 0.192 0.000 0.889 201 R CB 1.907 32.273 30.300 0.111 0.000 1.123 201 R HN 0.939 nan 8.270 nan 0.000 0.455 202 A N 4.502 127.526 122.820 0.339 0.000 2.876 202 A HA 0.341 4.662 4.320 0.000 0.000 0.309 202 A C -2.246 175.473 177.584 0.225 0.000 1.168 202 A CA -1.284 50.925 52.037 0.286 0.000 0.762 202 A CB 0.910 20.078 19.000 0.279 0.000 1.262 202 A HN 0.485 nan 8.150 nan 0.000 0.435 203 P HA -0.163 nan 4.420 nan 0.000 0.217 203 P C 0.756 178.090 177.300 0.057 0.000 1.148 203 P CA 1.554 64.708 63.100 0.090 0.000 0.828 203 P CB 0.362 32.100 31.700 0.063 0.000 0.783 204 E N -2.017 118.199 120.200 0.026 0.000 2.526 204 E HA 0.079 4.429 4.350 0.000 0.000 0.208 204 E C 1.390 177.930 176.600 -0.100 0.000 0.997 204 E CA -0.307 56.073 56.400 -0.033 0.000 0.961 204 E CB -0.267 29.403 29.700 -0.051 0.000 1.030 204 E HN 0.058 nan 8.360 nan 0.000 0.483 205 L N 1.637 122.820 121.223 -0.067 0.000 2.012 205 L HA -0.162 4.178 4.340 0.000 0.000 0.210 205 L C 2.318 179.117 176.870 -0.118 0.000 1.073 205 L CA 1.924 56.661 54.840 -0.171 0.000 0.748 205 L CB -0.282 41.654 42.059 -0.205 0.000 0.891 205 L HN -0.014 nan 8.230 nan 0.000 0.431 206 R N -1.058 119.467 120.500 0.042 0.000 2.083 206 R HA -0.160 4.181 4.340 0.000 0.000 0.237 206 R C 2.269 178.539 176.300 -0.049 0.000 1.137 206 R CA 1.760 57.886 56.100 0.043 0.000 0.951 206 R CB -0.283 30.062 30.300 0.075 0.000 0.851 206 R HN 0.455 nan 8.270 nan 0.000 0.434 207 S N 0.821 116.477 115.700 -0.073 0.000 2.370 207 S HA -0.123 4.347 4.470 0.000 0.000 0.226 207 S C 1.846 176.363 174.600 -0.138 0.000 1.033 207 S CA 1.303 59.450 58.200 -0.088 0.000 1.011 207 S CB -0.180 62.973 63.200 -0.078 0.000 0.852 207 S HN 0.289 nan 8.310 nan 0.000 0.457 208 L N 0.754 121.817 121.223 -0.266 0.000 2.093 208 L HA -0.029 4.311 4.340 0.000 0.000 0.208 208 L C 2.068 178.775 176.870 -0.273 0.000 1.085 208 L CA 0.892 55.471 54.840 -0.435 0.000 0.755 208 L CB -0.485 40.920 42.059 -1.090 0.000 0.904 208 L HN 0.269 nan 8.230 nan 0.000 0.435 209 L N -0.752 120.362 121.223 -0.181 0.000 2.291 209 L HA 0.005 4.345 4.340 0.000 0.000 0.214 209 L C 1.937 178.834 176.870 0.045 0.000 1.120 209 L CA 0.597 55.456 54.840 0.031 0.000 0.799 209 L CB -0.939 41.179 42.059 0.099 0.000 0.925 209 L HN 0.455 nan 8.230 nan 0.000 0.446 210 G N 0.628 109.423 108.800 -0.009 0.000 2.692 210 G HA2 -0.402 3.558 3.960 0.000 0.000 0.339 210 G HA3 -0.402 3.558 3.960 0.000 0.000 0.339 210 G C 0.880 175.780 174.900 0.001 0.000 1.226 210 G CA 0.684 45.781 45.100 -0.005 0.000 0.979 210 G HN 0.338 nan 8.290 nan 0.000 0.549 211 E N 1.367 121.579 120.200 0.020 0.000 2.489 211 E HA 0.084 4.434 4.350 0.000 0.000 0.193 211 E C 2.482 179.110 176.600 0.047 0.000 1.057 211 E CA 0.435 56.847 56.400 0.019 0.000 0.866 211 E CB 0.209 29.922 29.700 0.022 0.000 0.916 211 E HN 0.608 nan 8.360 nan 0.000 0.500 212 R N 0.419 120.971 120.500 0.087 0.000 2.334 212 R HA 0.258 4.599 4.340 0.000 0.000 0.216 212 R C 0.772 177.205 176.300 0.223 0.000 0.905 212 R CA 0.189 56.380 56.100 0.152 0.000 1.064 212 R CB 0.299 30.708 30.300 0.183 0.000 1.046 212 R HN -0.074 nan 8.270 nan 0.000 0.508 213 A N 1.261 124.161 122.820 0.134 0.000 2.531 213 A HA 0.505 4.825 4.320 0.000 0.000 0.236 213 A C 0.261 177.851 177.584 0.009 0.000 1.062 213 A CA 0.463 52.574 52.037 0.122 0.000 0.760 213 A CB 0.121 19.069 19.000 -0.087 0.000 0.995 213 A HN 0.370 nan 8.150 nan 0.000 0.501 214 A N 0.949 123.712 122.820 -0.095 0.000 2.593 214 A HA 0.617 4.938 4.320 0.000 0.000 0.290 214 A C 0.265 177.747 177.584 -0.171 0.000 1.126 214 A CA -0.027 51.822 52.037 -0.314 0.000 0.695 214 A CB 0.539 19.031 19.000 -0.847 0.000 1.290 214 A HN 1.729 nan 8.150 nan 0.000 0.414 215 L N -0.322 120.806 121.223 -0.158 0.000 2.202 215 L HA 0.499 4.839 4.340 0.000 0.000 0.205 215 L C -0.425 176.081 176.870 -0.607 0.000 1.083 215 L CA 1.504 56.190 54.840 -0.256 0.000 0.790 215 L CB -0.241 41.665 42.059 -0.255 0.000 0.942 215 L HN 0.525 nan 8.230 nan 0.000 0.452 216 F N -0.985 118.737 119.950 -0.381 0.000 2.529 216 F HA 0.462 4.989 4.527 0.000 0.000 0.320 216 F C -0.838 174.637 175.800 -0.541 0.000 1.118 216 F CA -0.589 57.175 58.000 -0.393 0.000 0.915 216 F CB 1.537 40.291 39.000 -0.409 0.000 1.161 216 F HN -0.335 nan 8.300 nan 0.000 0.445 217 F N 3.475 123.428 119.950 0.005 0.000 2.434 217 F HA 0.360 4.887 4.527 0.000 0.000 0.355 217 F C -0.594 175.144 175.800 -0.103 0.000 1.115 217 F CA -1.115 56.868 58.000 -0.028 0.000 1.010 217 F CB 0.874 39.895 39.000 0.036 0.000 1.234 217 F HN 0.277 nan 8.300 nan 0.000 0.439 218 F N 4.660 124.528 119.950 -0.135 0.000 2.413 218 F HA 0.371 4.898 4.527 -0.000 0.000 0.359 218 F C 0.161 175.934 175.800 -0.045 0.000 1.122 218 F CA -0.452 57.394 58.000 -0.257 0.000 1.160 218 F CB 0.467 38.864 39.000 -1.005 0.000 1.146 218 F HN 0.202 nan 8.300 nan 0.000 0.514 219 L N 5.576 126.958 121.223 0.264 0.000 2.417 219 L HA 0.272 4.612 4.340 0.000 0.000 0.268 219 L C 0.267 177.250 176.870 0.189 0.000 1.158 219 L CA 0.042 55.002 54.840 0.201 0.000 0.819 219 L CB 0.849 43.000 42.059 0.152 0.000 1.112 219 L HN 0.631 nan 8.230 nan 0.000 0.458 220 M N 4.435 124.133 119.600 0.162 0.000 3.124 220 M HA 0.169 4.649 4.480 0.000 0.000 0.298 220 M C 0.347 176.730 176.300 0.139 0.000 1.403 220 M CA 0.041 55.417 55.300 0.128 0.000 0.651 220 M CB 1.052 33.733 32.600 0.136 0.000 1.412 220 M HN 0.649 nan 8.290 nan 0.000 0.477 221 L N -0.142 121.174 121.223 0.155 0.000 2.185 221 L HA 0.252 4.593 4.340 0.000 0.000 0.198 221 L C 1.033 177.990 176.870 0.146 0.000 1.079 221 L CA 0.846 55.816 54.840 0.218 0.000 0.780 221 L CB 0.476 42.620 42.059 0.140 0.000 0.955 221 L HN 0.553 nan 8.230 nan 0.000 0.462 222 S N -3.275 112.471 115.700 0.077 0.000 2.819 222 S HA 0.131 4.601 4.470 0.000 0.000 0.299 222 S C 0.588 175.204 174.600 0.028 0.000 1.192 222 S CA 0.130 58.360 58.200 0.049 0.000 0.847 222 S CB 1.033 64.254 63.200 0.036 0.000 1.224 222 S HN 0.066 nan 8.310 nan 0.000 0.537 223 S N 0.436 116.156 115.700 0.033 0.000 2.402 223 S HA -0.085 4.385 4.470 0.000 0.000 0.229 223 S C 1.821 176.476 174.600 0.090 0.000 1.021 223 S CA 2.016 60.240 58.200 0.040 0.000 0.974 223 S CB -1.020 62.207 63.200 0.044 0.000 0.800 223 S HN 1.022 nan 8.310 nan 0.000 0.484 224 S N 0.235 116.001 115.700 0.110 0.000 2.478 224 S HA 0.299 4.769 4.470 0.000 0.000 0.222 224 S C 0.732 175.497 174.600 0.276 0.000 1.008 224 S CA -0.127 58.196 58.200 0.205 0.000 0.928 224 S CB -0.291 62.984 63.200 0.124 0.000 0.781 224 S HN 0.470 nan 8.310 nan 0.000 0.518 225 L N 2.103 123.405 121.223 0.132 0.000 2.719 225 L HA 0.487 4.827 4.340 0.000 0.000 0.236 225 L C -0.007 176.849 176.870 -0.022 0.000 1.221 225 L CA -0.329 54.585 54.840 0.123 0.000 1.048 225 L CB 0.251 42.377 42.059 0.111 0.000 1.364 225 L HN 0.209 nan 8.230 nan 0.000 0.447 226 R N -0.011 120.268 120.500 -0.368 0.000 2.690 226 R HA 0.373 4.713 4.340 0.000 0.000 0.419 226 R C -0.865 175.076 176.300 -0.599 0.000 1.090 226 R CA -0.199 55.626 56.100 -0.457 0.000 1.064 226 R CB 0.353 30.310 30.300 -0.571 0.000 1.391 226 R HN 0.096 nan 8.270 nan 0.000 0.586 227 F N 1.069 121.237 119.950 0.363 0.000 2.611 227 F HA 0.532 5.058 4.527 -0.000 0.000 0.324 227 F C -2.079 173.758 175.800 0.060 0.000 1.061 227 F CA -3.216 54.980 58.000 0.327 0.000 0.954 227 F CB 0.926 40.114 39.000 0.314 0.000 1.301 227 F HN -0.194 nan 8.300 nan 0.000 0.482 228 P HA 0.108 nan 4.420 nan 0.000 0.268 228 P C -1.027 176.317 177.300 0.072 0.000 1.205 228 P CA 0.059 63.007 63.100 -0.255 0.000 0.771 228 P CB 1.339 32.765 31.700 -0.456 0.000 0.858 229 L N 3.381 124.687 121.223 0.137 0.000 2.316 229 L HA 0.482 4.822 4.340 0.000 0.000 0.280 229 L C 0.153 177.140 176.870 0.194 0.000 1.006 229 L CA -0.862 54.111 54.840 0.222 0.000 0.836 229 L CB 1.066 43.294 42.059 0.281 0.000 1.221 229 L HN 0.333 nan 8.230 nan 0.000 0.418 230 R N 4.320 124.874 120.500 0.090 0.000 2.407 230 R HA 0.696 5.036 4.340 0.000 0.000 0.303 230 R C -0.666 175.590 176.300 -0.073 0.000 0.981 230 R CA -0.453 55.584 56.100 -0.104 0.000 0.905 230 R CB 1.689 31.848 30.300 -0.235 0.000 1.099 230 R HN 0.735 nan 8.270 nan 0.000 0.459 231 A N 5.989 128.728 122.820 -0.135 0.000 2.415 231 A HA 0.202 4.522 4.320 0.000 0.000 0.309 231 A C 1.030 178.419 177.584 -0.325 0.000 1.356 231 A CA -0.481 51.425 52.037 -0.219 0.000 0.998 231 A CB 0.079 19.065 19.000 -0.023 0.000 1.145 231 A HN 0.950 nan 8.150 nan 0.000 0.545 232 L N 1.285 122.273 121.223 -0.391 0.000 2.027 232 L HA -0.095 4.245 4.340 0.000 0.000 0.206 232 L C 1.833 178.549 176.870 -0.256 0.000 1.074 232 L CA 1.891 56.534 54.840 -0.330 0.000 0.745 232 L CB -0.083 41.776 42.059 -0.334 0.000 0.898 232 L HN 0.897 nan 8.230 nan 0.000 0.433 233 D N -1.916 118.323 120.400 -0.268 0.000 2.469 233 D HA 0.070 4.711 4.640 0.000 0.000 0.213 233 D C 1.235 177.519 176.300 -0.028 0.000 1.135 233 D CA 0.587 54.484 54.000 -0.171 0.000 0.834 233 D CB 0.384 40.945 40.800 -0.399 0.000 1.009 233 D HN 0.211 nan 8.370 nan 0.000 0.507 234 G N 2.260 110.924 108.800 -0.227 0.000 2.203 234 G HA2 -0.356 3.605 3.960 0.000 0.000 0.263 234 G HA3 -0.356 3.605 3.960 0.000 0.000 0.263 234 G C 0.585 175.371 174.900 -0.191 0.000 1.012 234 G CA 0.548 45.356 45.100 -0.486 0.000 0.749 234 G HN 0.638 nan 8.290 nan 0.000 0.512 235 R N -2.317 118.091 120.500 -0.154 0.000 2.521 235 R HA 0.512 4.852 4.340 0.000 0.000 0.436 235 R C 1.100 177.361 176.300 -0.064 0.000 0.917 235 R CA 0.146 56.209 56.100 -0.062 0.000 1.080 235 R CB 0.115 30.418 30.300 0.005 0.000 1.530 235 R HN 1.343 nan 8.270 nan 0.000 0.596 236 G N 0.757 109.467 108.800 -0.149 0.000 2.545 236 G HA2 -0.143 3.818 3.960 0.000 0.000 0.195 236 G HA3 -0.143 3.818 3.960 0.000 0.000 0.195 236 G C -0.234 174.534 174.900 -0.220 0.000 1.009 236 G CA -0.572 44.494 45.100 -0.058 0.000 0.703 236 G HN 0.120 nan 8.290 nan 0.000 0.479 237 L N 1.678 122.622 121.223 -0.464 0.000 2.276 237 L HA 0.683 5.023 4.340 0.000 0.000 0.286 237 L C -0.341 175.990 176.870 -0.899 0.000 1.061 237 L CA -0.733 53.792 54.840 -0.526 0.000 0.807 237 L CB 0.693 42.501 42.059 -0.419 0.000 1.177 237 L HN 0.257 nan 8.230 nan 0.000 0.429 238 Y N 3.131 123.050 120.300 -0.635 0.000 2.605 238 Y HA 0.608 5.158 4.550 0.000 0.000 0.343 238 Y C -0.230 175.270 175.900 -0.668 0.000 1.036 238 Y CA -0.987 56.682 58.100 -0.718 0.000 1.065 238 Y CB 1.829 39.672 38.460 -1.028 0.000 1.288 238 Y HN 0.411 nan 8.280 nan 0.000 0.481 239 R N 1.889 122.302 120.500 -0.145 0.000 2.538 239 R HA 0.617 4.957 4.340 0.000 0.000 0.292 239 R C -2.327 174.091 176.300 0.195 0.000 1.008 239 R CA -0.874 55.240 56.100 0.024 0.000 0.896 239 R CB 1.512 31.808 30.300 -0.006 0.000 1.187 239 R HN 0.692 nan 8.270 nan 0.000 0.440 240 L N 3.660 125.076 121.223 0.321 0.000 2.313 240 L HA 0.485 4.825 4.340 0.000 0.000 0.283 240 L C -0.599 176.449 176.870 0.297 0.000 1.013 240 L CA 0.040 55.069 54.840 0.315 0.000 0.816 240 L CB 1.915 44.173 42.059 0.332 0.000 1.236 240 L HN 0.694 nan 8.230 nan 0.000 0.419 241 T N 3.896 118.632 114.554 0.304 0.000 2.795 241 T HA 0.642 4.993 4.350 0.000 0.000 0.282 241 T C -0.851 174.100 174.700 0.417 0.000 0.980 241 T CA -0.406 61.915 62.100 0.367 0.000 1.012 241 T CB 1.238 70.313 68.868 0.346 0.000 0.936 241 T HN 0.724 nan 8.240 nan 0.000 0.457 242 V N 3.912 124.059 119.914 0.388 0.000 2.656 242 V HA 0.885 5.005 4.120 0.000 0.000 0.307 242 V C 0.365 176.593 176.094 0.223 0.000 1.051 242 V CA -0.124 62.396 62.300 0.367 0.000 0.893 242 V CB 1.488 33.456 31.823 0.242 0.000 0.999 242 V HN 1.247 nan 8.190 nan 0.000 0.426 243 G N 3.404 112.317 108.800 0.189 0.000 2.572 243 G HA2 0.548 4.509 3.960 0.000 0.000 0.261 243 G HA3 0.548 4.509 3.960 0.000 0.000 0.261 243 G C -0.610 174.172 174.900 -0.196 0.000 1.197 243 G CA 0.108 45.027 45.100 -0.302 0.000 0.870 243 G HN 1.720 nan 8.290 nan 0.000 0.548 244 V N -0.206 119.494 119.914 -0.357 0.000 2.567 244 V HA 0.718 4.838 4.120 0.000 0.000 0.298 244 V C -0.246 175.726 176.094 -0.203 0.000 1.047 244 V CA 0.346 62.524 62.300 -0.203 0.000 0.880 244 V CB 1.021 32.743 31.823 -0.167 0.000 1.009 244 V HN 1.154 nan 8.190 nan 0.000 0.429 252 M N 2.893 122.511 119.600 0.031 0.000 2.252 252 M HA 0.370 4.850 4.480 0.000 0.000 0.333 252 M C -0.123 176.205 176.300 0.046 0.000 1.111 252 M CA -0.098 55.223 55.300 0.035 0.000 1.140 252 M CB 0.640 33.259 32.600 0.033 0.000 1.538 252 M HN 0.462 nan 8.290 nan 0.000 0.448 253 D N 1.727 122.158 120.400 0.052 0.000 2.472 253 D HA 0.013 4.653 4.640 0.000 0.000 0.237 253 D C 0.605 176.954 176.300 0.081 0.000 1.141 253 D CA 0.416 54.458 54.000 0.069 0.000 0.875 253 D CB 1.024 41.872 40.800 0.080 0.000 1.192 253 D HN 0.606 nan 8.370 nan 0.000 0.450 254 S N 2.370 118.127 115.700 0.095 0.000 2.365 254 S HA -0.214 4.256 4.470 0.000 0.000 0.221 254 S C 1.637 176.283 174.600 0.077 0.000 1.037 254 S CA 0.938 59.195 58.200 0.094 0.000 1.060 254 S CB -0.585 62.683 63.200 0.113 0.000 0.974 254 S HN 0.656 nan 8.310 nan 0.000 0.427 255 F N 2.241 122.171 119.950 -0.035 0.000 2.120 255 F HA -0.203 4.323 4.527 -0.000 0.000 0.300 255 F C 2.376 178.127 175.800 -0.082 0.000 1.095 255 F CA 1.958 59.914 58.000 -0.074 0.000 1.249 255 F CB -0.288 38.682 39.000 -0.050 0.000 0.995 255 F HN 0.133 nan 8.300 nan 0.000 0.480 256 E N 0.311 120.582 120.200 0.117 0.000 2.150 256 E HA -0.137 4.213 4.350 0.000 0.000 0.193 256 E C 2.177 178.735 176.600 -0.071 0.000 0.985 256 E CA 1.049 57.463 56.400 0.023 0.000 0.814 256 E CB -0.383 29.364 29.700 0.078 0.000 0.752 256 E HN 0.517 nan 8.360 nan 0.000 0.466 257 L N -0.782 120.409 121.223 -0.053 0.000 2.056 257 L HA -0.142 4.198 4.340 0.000 0.000 0.207 257 L C 2.190 178.987 176.870 -0.123 0.000 1.078 257 L CA 0.725 55.538 54.840 -0.046 0.000 0.749 257 L CB -0.253 41.812 42.059 0.011 0.000 0.901 257 L HN 0.094 nan 8.230 nan 0.000 0.433 258 V N -0.617 119.147 119.914 -0.250 0.000 2.427 258 V HA -0.202 3.918 4.120 0.000 0.000 0.248 258 V C 2.626 178.465 176.094 -0.425 0.000 1.051 258 V CA 1.369 63.416 62.300 -0.421 0.000 1.048 258 V CB -0.646 30.707 31.823 -0.784 0.000 0.666 258 V HN 0.396 nan 8.190 nan 0.000 0.456 259 R N 0.060 120.284 120.500 -0.461 0.000 2.096 259 R HA -0.134 4.206 4.340 0.000 0.000 0.235 259 R C 2.426 178.604 176.300 -0.202 0.000 1.127 259 R CA 1.431 57.313 56.100 -0.363 0.000 0.968 259 R CB -0.484 29.630 30.300 -0.310 0.000 0.861 259 R HN 0.402 nan 8.270 nan 0.000 0.440 260 R N 0.231 120.641 120.500 -0.150 0.000 2.115 260 R HA -0.041 4.299 4.340 0.000 0.000 0.230 260 R C 2.028 178.280 176.300 -0.081 0.000 1.111 260 R CA 1.448 57.494 56.100 -0.090 0.000 0.976 260 R CB -0.100 30.168 30.300 -0.054 0.000 0.870 260 R HN 0.210 nan 8.270 nan 0.000 0.445 261 A N -0.385 122.379 122.820 -0.092 0.000 2.021 261 A HA 0.122 4.443 4.320 0.000 0.000 0.216 261 A C 0.421 177.943 177.584 -0.105 0.000 1.163 261 A CA 0.340 52.340 52.037 -0.062 0.000 0.676 261 A CB 0.554 19.541 19.000 -0.020 0.000 0.818 261 A HN 0.083 nan 8.150 nan 0.000 0.453 262 V N 0.760 120.586 119.914 -0.146 0.000 2.311 262 V HA 0.477 4.597 4.120 0.000 0.000 0.275 262 V C 0.655 176.660 176.094 -0.148 0.000 1.022 262 V CA -0.092 62.126 62.300 -0.138 0.000 0.830 262 V CB 0.759 32.504 31.823 -0.131 0.000 1.012 262 V HN 0.403 nan 8.190 nan 0.000 0.452 263 A N 5.578 128.255 122.820 -0.239 0.000 2.916 263 A HA 0.553 4.873 4.320 0.000 0.000 0.254 263 A C -0.261 177.018 177.584 -0.509 0.000 1.544 263 A CA 0.258 52.094 52.037 -0.335 0.000 1.224 263 A CB -0.749 18.023 19.000 -0.381 0.000 1.012 263 A HN 0.540 nan 8.150 nan 0.000 0.636 264 F N -1.506 118.378 119.950 -0.110 0.000 2.603 264 F HA 0.407 4.934 4.527 0.000 0.000 0.317 264 F C -0.199 175.559 175.800 -0.072 0.000 1.066 264 F CA -1.374 56.575 58.000 -0.085 0.000 0.941 264 F CB 1.889 40.836 39.000 -0.088 0.000 1.291 264 F HN 0.140 nan 8.300 nan 0.000 0.472 265 D N 1.291 121.806 120.400 0.192 0.000 2.518 265 D HA 0.299 4.940 4.640 0.000 0.000 0.230 265 D C -0.671 175.688 176.300 0.097 0.000 1.138 265 D CA 0.323 54.384 54.000 0.102 0.000 0.964 265 D CB 0.468 41.313 40.800 0.075 0.000 1.011 265 D HN 0.476 nan 8.370 nan 0.000 0.517 266 T N 1.176 115.778 114.554 0.079 0.000 2.883 266 T HA 0.277 4.627 4.350 0.000 0.000 0.296 266 T C -0.936 173.798 174.700 0.057 0.000 1.117 266 T CA -0.784 61.340 62.100 0.041 0.000 1.006 266 T CB 1.296 70.153 68.868 -0.018 0.000 1.191 266 T HN 0.279 nan 8.240 nan 0.000 0.508 267 E N 2.272 122.509 120.200 0.062 0.000 2.417 267 E HA 0.250 4.600 4.350 0.000 0.000 0.261 267 E C -0.825 175.848 176.600 0.121 0.000 1.000 267 E CA 0.228 56.686 56.400 0.098 0.000 0.919 267 E CB 0.265 30.014 29.700 0.083 0.000 0.955 267 E HN 0.434 nan 8.360 nan 0.000 0.455 268 I N 4.232 124.906 120.570 0.173 0.000 2.533 268 I HA 0.231 4.401 4.170 0.000 0.000 0.290 268 I C -0.475 175.814 176.117 0.285 0.000 1.056 268 I CA -0.545 60.854 61.300 0.165 0.000 1.057 268 I CB 1.994 39.915 38.000 -0.132 0.000 1.240 268 I HN 0.541 nan 8.210 nan 0.000 0.423 269 E N 6.244 126.604 120.200 0.268 0.000 2.235 269 E HA 0.385 4.735 4.350 0.000 0.000 0.252 269 E C -1.457 175.292 176.600 0.249 0.000 0.886 269 E CA -0.594 55.946 56.400 0.233 0.000 0.767 269 E CB 1.913 31.710 29.700 0.162 0.000 1.205 269 E HN 0.345 nan 8.360 nan 0.000 0.421 270 V N 6.415 126.468 119.914 0.232 0.000 2.555 270 V HA 0.056 4.176 4.120 0.000 0.000 0.286 270 V C 1.196 177.371 176.094 0.136 0.000 1.044 270 V CA 0.266 62.689 62.300 0.203 0.000 1.026 270 V CB 1.018 32.951 31.823 0.183 0.000 0.981 270 V HN 0.804 nan 8.190 nan 0.000 0.480 271 L N 2.609 123.894 121.223 0.103 0.000 2.433 271 L HA 0.269 4.610 4.340 0.000 0.000 0.200 271 L C 0.805 177.687 176.870 0.020 0.000 1.059 271 L CA 0.557 55.416 54.840 0.032 0.000 0.835 271 L CB 0.254 42.292 42.059 -0.034 0.000 1.076 271 L HN 0.635 nan 8.230 nan 0.000 0.481 272 S N -1.200 114.504 115.700 0.007 0.000 2.627 272 S HA 0.395 4.865 4.470 0.000 0.000 0.283 272 S C -1.155 173.534 174.600 0.148 0.000 1.127 272 S CA -0.541 57.701 58.200 0.070 0.000 0.863 272 S CB 2.705 65.948 63.200 0.073 0.000 1.121 272 S HN 0.131 nan 8.310 nan 0.000 0.479 273 D N 1.572 122.094 120.400 0.203 0.000 2.586 273 D HA 0.180 4.820 4.640 0.000 0.000 0.254 273 D C -1.108 175.322 176.300 0.216 0.000 1.248 273 D CA -0.048 54.078 54.000 0.210 0.000 0.843 273 D CB 1.037 41.927 40.800 0.150 0.000 1.332 273 D HN 0.398 nan 8.370 nan 0.000 0.523 274 S N 1.890 117.755 115.700 0.274 0.000 2.513 274 S HA 0.286 4.756 4.470 0.000 0.000 0.276 274 S C -0.048 174.709 174.600 0.261 0.000 1.254 274 S CA -0.421 57.888 58.200 0.182 0.000 1.053 274 S CB 1.445 64.630 63.200 -0.024 0.000 0.958 274 S HN 0.416 nan 8.310 nan 0.000 0.491 275 E N 4.711 125.038 120.200 0.212 0.000 2.231 275 E HA 0.508 4.858 4.350 0.000 0.000 0.277 275 E C -0.816 175.969 176.600 0.309 0.000 0.999 275 E CA -0.829 55.705 56.400 0.224 0.000 0.827 275 E CB 0.723 30.496 29.700 0.122 0.000 1.101 275 E HN 0.746 nan 8.360 nan 0.000 0.393 276 W N 2.585 123.956 121.300 0.117 0.000 3.074 276 W HA 0.386 5.047 4.660 0.002 0.000 0.332 276 W C -1.539 175.170 176.519 0.317 0.000 1.253 276 W CA -0.779 56.629 57.345 0.103 0.000 1.180 276 W CB 0.226 29.704 29.460 0.029 0.000 1.445 276 W HN 0.550 nan 8.180 nan 0.000 0.573 277 H N 2.452 121.653 119.070 0.219 0.000 2.481 277 H HA 0.366 4.922 4.556 0.000 0.000 0.333 277 H C -0.388 175.068 175.328 0.213 0.000 1.066 277 H CA -1.017 55.082 56.048 0.085 0.000 1.209 277 H CB 2.706 32.517 29.762 0.081 0.000 1.445 277 H HN 0.207 nan 8.280 nan 0.000 0.488 278 L N 3.637 124.976 121.223 0.192 0.000 2.260 278 L HA 0.345 4.685 4.340 0.000 0.000 0.289 278 L C 0.072 177.005 176.870 0.105 0.000 1.057 278 L CA -0.135 54.836 54.840 0.219 0.000 0.811 278 L CB 0.602 42.722 42.059 0.101 0.000 1.184 278 L HN 0.658 nan 8.230 nan 0.000 0.429 279 T N 0.677 115.261 114.554 0.050 0.000 2.916 279 T HA 0.565 4.915 4.350 0.000 0.000 0.292 279 T C -0.376 174.248 174.700 -0.127 0.000 1.064 279 T CA -0.628 61.499 62.100 0.045 0.000 1.011 279 T CB 1.238 70.186 68.868 0.135 0.000 1.152 279 T HN 0.686 nan 8.240 nan 0.000 0.510 280 H N 1.625 120.781 119.070 0.144 0.000 2.418 280 H HA 0.403 4.959 4.556 -0.000 0.000 0.238 280 H C -0.462 174.928 175.328 0.104 0.000 1.403 280 H CA -0.671 55.466 56.048 0.148 0.000 1.419 280 H CB 0.578 30.466 29.762 0.210 0.000 1.463 280 H HN 0.350 nan 8.280 nan 0.000 0.515 281 R N 1.650 122.253 120.500 0.172 0.000 2.451 281 R HA 0.482 4.822 4.340 0.000 0.000 0.307 281 R C -0.956 175.418 176.300 0.124 0.000 0.965 281 R CA -0.786 55.392 56.100 0.130 0.000 0.865 281 R CB 2.795 33.157 30.300 0.103 0.000 1.174 281 R HN 0.070 nan 8.270 nan 0.000 0.455 282 V N 2.286 122.280 119.914 0.133 0.000 2.495 282 V HA 0.497 4.617 4.120 0.000 0.000 0.298 282 V C 0.377 176.573 176.094 0.170 0.000 1.031 282 V CA -0.916 61.491 62.300 0.178 0.000 0.871 282 V CB 1.775 33.729 31.823 0.218 0.000 0.988 282 V HN 0.934 nan 8.190 nan 0.000 0.432 283 A N 2.728 125.660 122.820 0.187 0.000 2.483 283 A HA 0.183 4.503 4.320 0.000 0.000 0.238 283 A C 1.053 178.785 177.584 0.246 0.000 1.070 283 A CA -0.082 52.064 52.037 0.182 0.000 0.770 283 A CB 0.014 19.077 19.000 0.106 0.000 1.008 283 A HN 0.903 nan 8.150 nan 0.000 0.497 284 D N -0.030 120.452 120.400 0.136 0.000 2.178 284 D HA -0.016 4.624 4.640 0.000 0.000 0.202 284 D C 0.670 177.008 176.300 0.064 0.000 0.974 284 D CA 1.882 55.929 54.000 0.078 0.000 0.841 284 D CB 0.049 40.875 40.800 0.043 0.000 0.953 284 D HN 0.642 nan 8.370 nan 0.000 0.478 285 S N -1.046 114.734 115.700 0.134 0.000 2.564 285 S HA 0.394 4.864 4.470 0.000 0.000 0.274 285 S C -0.284 174.528 174.600 0.353 0.000 1.124 285 S CA -0.768 57.501 58.200 0.115 0.000 0.869 285 S CB 1.111 64.335 63.200 0.039 0.000 1.105 285 S HN -0.169 nan 8.310 nan 0.000 0.472 286 F N 1.880 121.778 119.950 -0.087 0.000 2.664 286 F HA 0.455 4.982 4.527 0.000 0.000 0.303 286 F C 1.279 177.069 175.800 -0.017 0.000 1.092 286 F CA -0.179 57.780 58.000 -0.068 0.000 1.305 286 F CB -0.510 38.356 39.000 -0.224 0.000 1.054 286 F HN 0.895 nan 8.300 nan 0.000 0.565 287 S N -0.757 114.976 115.700 0.055 0.000 2.636 287 S HA 0.847 5.317 4.470 0.000 0.000 0.266 287 S C -1.232 173.252 174.600 -0.194 0.000 1.147 287 S CA -0.496 57.578 58.200 -0.210 0.000 0.815 287 S CB 1.799 64.630 63.200 -0.614 0.000 1.119 287 S HN 0.339 nan 8.310 nan 0.000 0.470 288 A N 0.327 122.984 122.820 -0.273 0.000 2.541 288 A HA 0.808 5.128 4.320 0.000 0.000 0.285 288 A C 0.715 178.199 177.584 -0.166 0.000 1.058 288 A CA 0.345 52.290 52.037 -0.154 0.000 0.886 288 A CB 0.156 19.120 19.000 -0.059 0.000 1.411 288 A HN 2.807 nan 8.150 nan 0.000 0.403 289 G N 2.324 111.040 108.800 -0.141 0.000 2.556 289 G HA2 -0.282 3.679 3.960 0.000 0.000 0.283 289 G HA3 -0.282 3.679 3.960 0.000 0.000 0.283 289 G C 0.567 175.408 174.900 -0.097 0.000 1.177 289 G CA 0.544 45.592 45.100 -0.086 0.000 0.978 289 G HN 1.088 nan 8.290 nan 0.000 0.554 290 R N -0.349 120.139 120.500 -0.020 0.000 2.391 290 R HA 0.405 4.745 4.340 0.000 0.000 0.249 290 R C -0.057 176.349 176.300 0.176 0.000 0.957 290 R CA 0.118 56.305 56.100 0.145 0.000 1.093 290 R CB 0.430 30.704 30.300 -0.044 0.000 1.156 290 R HN 0.246 nan 8.270 nan 0.000 0.526 291 V N 1.443 121.304 119.914 -0.089 0.000 2.384 291 V HA 0.387 4.507 4.120 0.000 0.000 0.287 291 V C -0.499 175.449 176.094 -0.243 0.000 1.020 291 V CA -0.587 61.644 62.300 -0.116 0.000 0.850 291 V CB 1.185 32.835 31.823 -0.288 0.000 0.987 291 V HN 0.019 nan 8.190 nan 0.000 0.436 292 F N 4.185 124.105 119.950 -0.049 0.000 2.556 292 F HA 0.705 5.232 4.527 0.000 0.000 0.327 292 F C -0.102 175.682 175.800 -0.026 0.000 1.059 292 F CA -0.929 57.076 58.000 0.007 0.000 0.953 292 F CB 1.855 40.846 39.000 -0.016 0.000 1.227 292 F HN 0.172 nan 8.300 nan 0.000 0.478 293 L N 1.559 122.911 121.223 0.215 0.000 2.341 293 L HA 0.671 5.011 4.340 0.000 0.000 0.278 293 L C -0.325 176.547 176.870 0.003 0.000 1.005 293 L CA -0.412 54.434 54.840 0.009 0.000 0.818 293 L CB 2.037 44.019 42.059 -0.129 0.000 1.259 293 L HN 0.611 nan 8.230 nan 0.000 0.418 294 T N 1.210 115.717 114.554 -0.078 0.000 2.900 294 T HA 0.745 5.095 4.350 0.000 0.000 0.303 294 T C 0.042 174.621 174.700 -0.202 0.000 1.142 294 T CA 0.620 62.674 62.100 -0.077 0.000 1.007 294 T CB 1.725 70.601 68.868 0.015 0.000 1.156 294 T HN 1.045 nan 8.240 nan 0.000 0.490 295 G N 3.698 112.344 108.800 -0.256 0.000 2.525 295 G HA2 -0.232 3.728 3.960 0.000 0.000 0.248 295 G HA3 -0.232 3.728 3.960 0.000 0.000 0.248 295 G C 0.421 175.086 174.900 -0.392 0.000 1.238 295 G CA 0.718 45.699 45.100 -0.199 0.000 0.926 295 G HN 0.738 nan 8.290 nan 0.000 0.574 296 D N 0.625 120.925 120.400 -0.167 0.000 2.182 296 D HA 0.153 4.793 4.640 0.000 0.000 0.201 296 D C 2.714 178.905 176.300 -0.181 0.000 0.986 296 D CA 2.259 56.182 54.000 -0.127 0.000 0.847 296 D CB -0.553 40.217 40.800 -0.050 0.000 0.942 296 D HN 0.927 nan 8.370 nan 0.000 0.467 297 A N -0.114 122.587 122.820 -0.198 0.000 2.125 297 A HA 0.096 4.417 4.320 0.000 0.000 0.219 297 A C 2.059 179.476 177.584 -0.278 0.000 1.156 297 A CA 1.820 53.750 52.037 -0.179 0.000 0.671 297 A CB -0.188 18.730 19.000 -0.137 0.000 0.794 297 A HN 0.248 nan 8.150 nan 0.000 0.459 298 A N -1.049 121.469 122.820 -0.503 0.000 2.013 298 A HA 0.445 4.766 4.320 0.000 0.000 0.204 298 A C 0.575 177.846 177.584 -0.522 0.000 1.262 298 A CA 0.857 52.437 52.037 -0.762 0.000 0.800 298 A CB 0.068 18.257 19.000 -1.351 0.000 0.909 298 A HN 0.771 nan 8.150 nan 0.000 0.472 299 H N -2.530 116.430 119.070 -0.183 0.000 2.947 299 H HA 0.728 5.284 4.556 0.000 0.000 0.354 299 H C -1.058 174.266 175.328 -0.008 0.000 1.085 299 H CA -0.516 55.504 56.048 -0.046 0.000 1.253 299 H CB 0.549 30.316 29.762 0.009 0.000 1.757 299 H HN -0.092 nan 8.280 nan 0.000 0.523 300 T N 3.288 117.939 114.554 0.161 0.000 2.907 300 T HA 0.685 5.035 4.350 0.000 0.000 0.292 300 T C -1.047 173.715 174.700 0.103 0.000 1.043 300 T CA -0.730 61.437 62.100 0.111 0.000 1.003 300 T CB 1.335 70.244 68.868 0.069 0.000 1.084 300 T HN 0.678 nan 8.240 nan 0.000 0.483 301 L N -0.906 120.349 121.223 0.053 0.000 2.720 301 L HA 0.804 5.144 4.340 0.000 0.000 0.261 301 L C -0.122 176.704 176.870 -0.074 0.000 1.046 301 L CA -1.101 53.746 54.840 0.012 0.000 0.886 301 L CB 1.033 43.158 42.059 0.110 0.000 1.493 301 L HN 0.532 nan 8.230 nan 0.000 0.407 302 S N 1.256 116.870 115.700 -0.145 0.000 2.549 302 S HA 0.371 4.841 4.470 0.000 0.000 0.286 302 S C -1.371 173.174 174.600 -0.093 0.000 1.314 302 S CA -0.397 57.734 58.200 -0.116 0.000 1.062 302 S CB 0.326 63.496 63.200 -0.050 0.000 0.865 302 S HN 0.742 nan 8.310 nan 0.000 0.498 303 P HA 0.007 nan 4.420 nan 0.000 0.242 303 P C -0.057 177.090 177.300 -0.256 0.000 1.197 303 P CA 0.100 63.095 63.100 -0.174 0.000 0.765 303 P CB -0.510 31.076 31.700 -0.189 0.000 0.936 304 S N -0.202 115.363 115.700 -0.226 0.000 2.503 304 S HA 0.456 4.926 4.470 0.000 0.000 0.317 304 S C 1.295 175.553 174.600 -0.570 0.000 1.162 304 S CA 0.236 58.272 58.200 -0.272 0.000 1.124 304 S CB -0.412 62.732 63.200 -0.094 0.000 1.207 304 S HN 0.344 nan 8.310 nan 0.000 0.538 305 G N 1.864 110.210 108.800 -0.756 0.000 2.705 305 G HA2 0.194 4.154 3.960 0.000 0.000 0.193 305 G HA3 0.194 4.154 3.960 0.000 0.000 0.193 305 G C 0.772 175.066 174.900 -1.010 0.000 1.015 305 G CA 0.018 44.395 45.100 -1.204 0.000 0.743 305 G HN 2.082 nan 8.290 nan 0.000 0.476 306 G N -0.196 108.185 108.800 -0.698 0.000 2.225 306 G HA2 -0.114 3.846 3.960 0.000 0.000 0.264 306 G HA3 -0.114 3.846 3.960 0.000 0.000 0.264 306 G C 0.550 175.421 174.900 -0.048 0.000 1.060 306 G CA 0.806 45.744 45.100 -0.270 0.000 0.833 306 G HN 1.009 nan 8.290 nan 0.000 0.498 307 F N 0.217 120.146 119.950 -0.036 0.000 2.698 307 F HA 0.273 4.800 4.527 0.000 0.000 0.295 307 F C 2.530 178.320 175.800 -0.016 0.000 1.124 307 F CA 0.115 58.095 58.000 -0.033 0.000 1.426 307 F CB -0.929 38.028 39.000 -0.072 0.000 1.120 307 F HN 0.251 nan 8.300 nan 0.000 0.583 308 G N 0.863 109.742 108.800 0.132 0.000 2.672 308 G HA2 -0.363 3.597 3.960 0.000 0.000 0.218 308 G HA3 -0.363 3.597 3.960 0.000 0.000 0.218 308 G C 1.759 176.720 174.900 0.101 0.000 1.238 308 G CA 1.250 46.406 45.100 0.093 0.000 0.791 308 G HN 0.343 nan 8.290 nan 0.000 0.606 309 M N 0.458 120.106 119.600 0.079 0.000 2.229 309 M HA -0.042 4.438 4.480 0.000 0.000 0.264 309 M C 2.222 178.586 176.300 0.107 0.000 1.063 309 M CA 1.354 56.708 55.300 0.089 0.000 1.114 309 M CB -0.243 32.404 32.600 0.078 0.000 1.387 309 M HN 0.163 nan 8.290 nan 0.000 0.420 310 N N 0.028 118.793 118.700 0.109 0.000 2.142 310 N HA -0.108 4.632 4.740 0.000 0.000 0.186 310 N C 1.530 177.077 175.510 0.063 0.000 1.023 310 N CA 2.093 55.195 53.050 0.088 0.000 0.852 310 N CB -0.882 37.674 38.487 0.115 0.000 0.998 310 N HN 0.390 nan 8.380 nan 0.000 0.424 311 T N -0.013 114.571 114.554 0.051 0.000 2.881 311 T HA -0.047 4.303 4.350 0.000 0.000 0.270 311 T C 1.904 176.655 174.700 0.085 0.000 1.068 311 T CA 1.269 63.348 62.100 -0.035 0.000 1.131 311 T CB -0.498 68.275 68.868 -0.159 0.000 0.871 311 T HN 0.387 nan 8.240 nan 0.000 0.479 312 G N 1.442 110.357 108.800 0.191 0.000 2.404 312 G HA2 -0.052 3.909 3.960 0.000 0.000 0.214 312 G HA3 -0.052 3.909 3.960 0.000 0.000 0.214 312 G C 1.487 176.489 174.900 0.170 0.000 1.189 312 G CA 0.196 45.450 45.100 0.257 0.000 0.789 312 G HN 0.478 nan 8.290 nan 0.000 0.533 313 I N 1.510 122.155 120.570 0.125 0.000 2.361 313 I HA -0.109 4.061 4.170 0.000 0.000 0.251 313 I C 2.972 179.162 176.117 0.121 0.000 1.133 313 I CA 0.859 62.226 61.300 0.110 0.000 1.413 313 I CB -0.340 37.694 38.000 0.056 0.000 1.073 313 I HN 0.268 nan 8.210 nan 0.000 0.424 314 G N 0.104 108.968 108.800 0.108 0.000 2.414 314 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 314 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 314 G C 1.736 176.749 174.900 0.187 0.000 1.188 314 G CA 0.814 45.990 45.100 0.127 0.000 0.783 314 G HN 0.348 nan 8.290 nan 0.000 0.537 315 S N 1.043 116.877 115.700 0.223 0.000 2.419 315 S HA 0.030 4.501 4.470 0.000 0.000 0.233 315 S C 2.697 177.431 174.600 0.223 0.000 1.016 315 S CA 1.070 59.472 58.200 0.338 0.000 0.974 315 S CB -0.246 63.258 63.200 0.507 0.000 0.786 315 S HN 0.584 nan 8.310 nan 0.000 0.492 316 A N 1.557 124.461 122.820 0.140 0.000 1.898 316 A HA 0.175 4.495 4.320 0.000 0.000 0.216 316 A C 2.345 179.954 177.584 0.042 0.000 1.181 316 A CA 1.535 53.592 52.037 0.035 0.000 0.620 316 A CB -0.989 18.035 19.000 0.040 0.000 0.819 316 A HN 0.508 nan 8.150 nan 0.000 0.442 317 A N -0.258 122.659 122.820 0.162 0.000 1.969 317 A HA -0.136 4.184 4.320 0.000 0.000 0.218 317 A C 1.792 179.530 177.584 0.256 0.000 1.169 317 A CA 2.032 54.216 52.037 0.244 0.000 0.635 317 A CB -0.604 18.562 19.000 0.276 0.000 0.810 317 A HN 0.552 nan 8.150 nan 0.000 0.445 318 D N -0.561 119.965 120.400 0.209 0.000 2.084 318 D HA -0.146 4.494 4.640 0.000 0.000 0.194 318 D C 1.778 177.969 176.300 -0.183 0.000 0.990 318 D CA 1.324 55.445 54.000 0.202 0.000 0.826 318 D CB -0.178 40.743 40.800 0.201 0.000 0.971 318 D HN 0.215 nan 8.370 nan 0.000 0.453 319 L N 0.231 121.239 121.223 -0.357 0.000 2.083 319 L HA 0.076 4.416 4.340 0.000 0.000 0.209 319 L C 2.184 178.730 176.870 -0.540 0.000 1.083 319 L CA 2.171 56.586 54.840 -0.708 0.000 0.752 319 L CB -1.076 40.404 42.059 -0.966 0.000 0.899 319 L HN 0.180 nan 8.230 nan 0.000 0.433 320 G N 0.032 108.663 108.800 -0.282 0.000 2.514 320 G HA2 -0.338 3.622 3.960 0.000 0.000 0.217 320 G HA3 -0.338 3.622 3.960 0.000 0.000 0.217 320 G C 1.390 176.229 174.900 -0.102 0.000 1.198 320 G CA 1.050 46.050 45.100 -0.166 0.000 0.780 320 G HN 0.716 nan 8.290 nan 0.000 0.565 321 W N 1.256 122.500 121.300 -0.094 0.000 2.425 321 W HA 0.145 4.805 4.660 0.000 0.000 0.277 321 W C 1.777 178.216 176.519 -0.133 0.000 1.231 321 W CA 0.993 58.305 57.345 -0.054 0.000 1.248 321 W CB -0.462 29.006 29.460 0.013 0.000 1.117 321 W HN 0.224 nan 8.180 nan 0.000 0.568 322 K N 0.881 120.695 120.400 -0.976 0.000 2.167 322 K HA -0.026 4.294 4.320 0.000 0.000 0.203 322 K C 2.321 178.512 176.600 -0.683 0.000 1.052 322 K CA 1.163 56.831 56.287 -1.032 0.000 0.956 322 K CB -0.283 31.542 32.500 -1.125 0.000 0.735 322 K HN 0.158 nan 8.250 nan 0.000 0.451 323 L N 0.659 121.501 121.223 -0.635 0.000 2.005 323 L HA -0.161 4.179 4.340 0.000 0.000 0.207 323 L C 2.595 179.216 176.870 -0.413 0.000 1.072 323 L CA 1.196 55.658 54.840 -0.630 0.000 0.744 323 L CB -0.553 41.134 42.059 -0.620 0.000 0.895 323 L HN 0.187 nan 8.230 nan 0.000 0.433 324 A N -0.131 122.525 122.820 -0.273 0.000 1.978 324 A HA -0.203 4.117 4.320 0.000 0.000 0.220 324 A C 2.459 179.912 177.584 -0.219 0.000 1.170 324 A CA 1.821 53.775 52.037 -0.138 0.000 0.636 324 A CB -0.670 18.333 19.000 0.005 0.000 0.810 324 A HN 0.443 nan 8.150 nan 0.000 0.448 325 A N -1.215 121.350 122.820 -0.426 0.000 1.929 325 A HA -0.022 4.298 4.320 0.000 0.000 0.216 325 A C 2.275 179.374 177.584 -0.808 0.000 1.176 325 A CA 2.095 53.510 52.037 -1.036 0.000 0.628 325 A CB -1.034 17.080 19.000 -1.476 0.000 0.816 325 A HN 0.420 nan 8.150 nan 0.000 0.444 326 T N 0.317 114.570 114.554 -0.503 0.000 2.857 326 T HA -0.005 4.346 4.350 0.000 0.000 0.266 326 T C 1.778 176.384 174.700 -0.157 0.000 1.048 326 T CA 1.243 63.166 62.100 -0.295 0.000 1.139 326 T CB -0.286 68.441 68.868 -0.236 0.000 0.874 326 T HN 0.332 nan 8.240 nan 0.000 0.455 327 L N 0.275 121.418 121.223 -0.134 0.000 2.093 327 L HA 0.002 4.342 4.340 0.000 0.000 0.208 327 L C 2.892 179.745 176.870 -0.028 0.000 1.085 327 L CA 0.908 55.735 54.840 -0.022 0.000 0.755 327 L CB -0.265 41.797 42.059 0.005 0.000 0.904 327 L HN 0.009 nan 8.230 nan 0.000 0.435 328 R N -0.167 120.289 120.500 -0.072 0.000 2.148 328 R HA 0.015 4.355 4.340 0.000 0.000 0.223 328 R C 1.550 177.874 176.300 0.039 0.000 1.088 328 R CA 1.004 57.120 56.100 0.027 0.000 0.985 328 R CB -0.305 30.081 30.300 0.144 0.000 0.880 328 R HN 0.511 nan 8.270 nan 0.000 0.451 329 G N -0.148 108.616 108.800 -0.061 0.000 2.218 329 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 329 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 329 G C 0.658 175.610 174.900 0.087 0.000 0.994 329 G CA 0.168 45.270 45.100 0.003 0.000 0.637 329 G HN 0.480 nan 8.290 nan 0.000 0.505 330 W N 0.919 122.271 121.300 0.086 0.000 3.139 330 W HA 0.699 5.359 4.660 0.000 0.000 0.260 330 W C 0.696 177.285 176.519 0.117 0.000 1.312 330 W CA 0.183 57.597 57.345 0.116 0.000 1.606 330 W CB -0.507 29.059 29.460 0.177 0.000 1.118 330 W HN 0.752 nan 8.180 nan 0.000 0.675 331 A N 2.122 124.884 122.820 -0.097 0.000 2.388 331 A HA 0.546 4.866 4.320 0.000 0.000 0.257 331 A C 0.692 178.292 177.584 0.026 0.000 1.095 331 A CA 0.221 52.200 52.037 -0.097 0.000 0.791 331 A CB 0.153 18.924 19.000 -0.382 0.000 1.029 331 A HN 0.241 nan 8.150 nan 0.000 0.489 332 G N 1.187 110.034 108.800 0.078 0.000 2.606 332 G HA2 0.423 4.383 3.960 0.000 0.000 0.252 332 G HA3 0.423 4.383 3.960 0.000 0.000 0.252 332 G C -1.016 173.896 174.900 0.021 0.000 1.206 332 G CA -0.691 44.446 45.100 0.061 0.000 0.861 332 G HN 0.549 nan 8.290 nan 0.000 0.561 333 P HA -0.034 nan 4.420 nan 0.000 0.225 333 P C 1.311 178.621 177.300 0.016 0.000 1.148 333 P CA 1.322 64.432 63.100 0.018 0.000 0.779 333 P CB 0.248 31.961 31.700 0.022 0.000 0.780 334 G N -0.492 108.319 108.800 0.018 0.000 3.284 334 G HA2 0.036 3.997 3.960 0.000 0.000 0.236 334 G HA3 0.036 3.997 3.960 0.000 0.000 0.236 334 G C 1.162 176.065 174.900 0.006 0.000 1.158 334 G CA -0.162 44.948 45.100 0.017 0.000 0.774 334 G HN 0.146 nan 8.290 nan 0.000 0.545 335 L N 0.315 121.526 121.223 -0.019 0.000 2.027 335 L HA 0.175 4.515 4.340 0.000 0.000 0.206 335 L C 2.610 179.409 176.870 -0.118 0.000 1.074 335 L CA 1.455 56.252 54.840 -0.072 0.000 0.745 335 L CB -0.331 41.646 42.059 -0.138 0.000 0.898 335 L HN 0.189 nan 8.230 nan 0.000 0.433 336 L N -0.589 120.579 121.223 -0.092 0.000 2.079 336 L HA -0.196 4.144 4.340 0.000 0.000 0.210 336 L C 2.534 179.465 176.870 0.103 0.000 1.081 336 L CA 1.140 55.962 54.840 -0.030 0.000 0.752 336 L CB -0.811 41.299 42.059 0.085 0.000 0.896 336 L HN 0.378 nan 8.230 nan 0.000 0.433 337 A N -0.231 122.629 122.820 0.067 0.000 2.125 337 A HA -0.166 4.154 4.320 0.000 0.000 0.219 337 A C 2.250 179.845 177.584 0.020 0.000 1.156 337 A CA 1.773 53.843 52.037 0.055 0.000 0.671 337 A CB -0.789 18.221 19.000 0.017 0.000 0.794 337 A HN 0.545 nan 8.150 nan 0.000 0.459 338 T N -4.109 110.446 114.554 0.001 0.000 3.118 338 T HA -0.105 4.245 4.350 0.000 0.000 0.260 338 T C 1.603 176.280 174.700 -0.038 0.000 1.139 338 T CA 1.010 63.089 62.100 -0.035 0.000 1.085 338 T CB -0.468 68.381 68.868 -0.031 0.000 0.934 338 T HN 0.468 nan 8.240 nan 0.000 0.518 339 Y N 2.411 122.641 120.300 -0.117 0.000 2.114 339 Y HA -0.045 4.505 4.550 0.000 0.000 0.284 339 Y C 2.329 178.184 175.900 -0.075 0.000 1.143 339 Y CA 1.616 59.663 58.100 -0.090 0.000 1.135 339 Y CB -0.594 37.867 38.460 0.001 0.000 0.980 339 Y HN 0.362 nan 8.280 nan 0.000 0.499 340 E N -0.006 120.025 120.200 -0.282 0.000 2.047 340 E HA -0.251 4.099 4.350 0.000 0.000 0.191 340 E C 2.276 178.592 176.600 -0.473 0.000 0.987 340 E CA 1.163 57.195 56.400 -0.613 0.000 0.799 340 E CB -0.326 29.103 29.700 -0.452 0.000 0.752 340 E HN 0.687 nan 8.360 nan 0.000 0.449 341 E N 0.181 120.223 120.200 -0.263 0.000 2.086 341 E HA -0.264 4.086 4.350 0.000 0.000 0.200 341 E C 1.825 178.304 176.600 -0.202 0.000 1.012 341 E CA 1.837 58.122 56.400 -0.192 0.000 0.812 341 E CB 0.086 29.721 29.700 -0.108 0.000 0.743 341 E HN 0.374 nan 8.360 nan 0.000 0.453 342 E N -0.772 119.276 120.200 -0.254 0.000 2.075 342 E HA -0.042 4.309 4.350 0.000 0.000 0.190 342 E C 2.320 178.764 176.600 -0.259 0.000 0.969 342 E CA 0.092 56.286 56.400 -0.343 0.000 0.815 342 E CB 0.088 29.336 29.700 -0.753 0.000 0.776 342 E HN 0.054 nan 8.360 nan 0.000 0.457 343 R N 1.049 121.399 120.500 -0.249 0.000 2.073 343 R HA -0.012 4.328 4.340 0.000 0.000 0.229 343 R C 2.244 178.495 176.300 -0.080 0.000 1.120 343 R CA 0.885 56.932 56.100 -0.088 0.000 0.967 343 R CB -0.673 29.652 30.300 0.041 0.000 0.862 343 R HN 0.099 nan 8.270 nan 0.000 0.436 344 R N 0.696 120.988 120.500 -0.346 0.000 2.112 344 R HA -0.137 4.203 4.340 0.000 0.000 0.242 344 R C -0.761 175.473 176.300 -0.110 0.000 1.137 344 R CA 1.943 57.839 56.100 -0.340 0.000 0.944 344 R CB -1.105 28.736 30.300 -0.766 0.000 0.857 344 R HN 0.149 nan 8.270 nan 0.000 0.435 345 P HA -0.126 nan 4.420 nan 0.000 0.218 345 P C 1.171 178.474 177.300 0.005 0.000 1.148 345 P CA 1.033 64.117 63.100 -0.026 0.000 0.822 345 P CB 0.090 31.788 31.700 -0.002 0.000 0.784 346 V N 0.010 119.912 119.914 -0.021 0.000 2.358 346 V HA -0.229 3.891 4.120 0.000 0.000 0.246 346 V C 2.431 178.414 176.094 -0.185 0.000 1.047 346 V CA 2.166 64.385 62.300 -0.134 0.000 1.035 346 V CB -1.643 30.036 31.823 -0.240 0.000 0.658 346 V HN 0.099 nan 8.190 nan 0.000 0.452 347 A N 0.033 122.771 122.820 -0.136 0.000 1.883 347 A HA -0.191 4.129 4.320 0.000 0.000 0.217 347 A C 2.182 179.762 177.584 -0.007 0.000 1.186 347 A CA 2.012 53.965 52.037 -0.139 0.000 0.624 347 A CB -0.536 18.462 19.000 -0.002 0.000 0.822 347 A HN 0.496 nan 8.150 nan 0.000 0.444 348 I N 0.020 120.611 120.570 0.035 0.000 2.142 348 I HA -0.252 3.918 4.170 0.000 0.000 0.240 348 I C 2.959 179.117 176.117 0.069 0.000 1.078 348 I CA 1.981 63.318 61.300 0.062 0.000 1.343 348 I CB -0.693 37.334 38.000 0.044 0.000 1.046 348 I HN 0.572 nan 8.210 nan 0.000 0.405 349 T N -2.257 112.332 114.554 0.059 0.000 2.867 349 T HA -0.114 4.236 4.350 0.000 0.000 0.268 349 T C 1.963 176.710 174.700 0.079 0.000 1.057 349 T CA 1.675 63.823 62.100 0.079 0.000 1.136 349 T CB -0.372 68.557 68.868 0.101 0.000 0.874 349 T HN 0.186 nan 8.240 nan 0.000 0.466 350 S N 1.165 116.894 115.700 0.048 0.000 2.383 350 S HA 0.126 4.596 4.470 0.000 0.000 0.227 350 S C 1.832 176.505 174.600 0.122 0.000 1.026 350 S CA 1.004 59.204 58.200 0.001 0.000 0.981 350 S CB -0.572 62.559 63.200 -0.116 0.000 0.818 350 S HN 0.538 nan 8.310 nan 0.000 0.472 351 L N 1.745 123.048 121.223 0.134 0.000 2.017 351 L HA -0.135 4.205 4.340 0.000 0.000 0.208 351 L C 2.301 179.325 176.870 0.256 0.000 1.073 351 L CA 1.552 56.519 54.840 0.212 0.000 0.745 351 L CB -0.309 41.876 42.059 0.209 0.000 0.894 351 L HN 0.145 nan 8.230 nan 0.000 0.432 352 E N -0.118 120.208 120.200 0.211 0.000 2.204 352 E HA -0.260 4.090 4.350 0.000 0.000 0.195 352 E C 1.996 178.688 176.600 0.153 0.000 0.990 352 E CA 1.097 57.621 56.400 0.207 0.000 0.821 352 E CB -0.064 29.733 29.700 0.161 0.000 0.750 352 E HN 0.514 nan 8.360 nan 0.000 0.477 353 E N 0.706 120.995 120.200 0.148 0.000 2.158 353 E HA 0.016 4.366 4.350 0.000 0.000 0.191 353 E C 1.789 178.532 176.600 0.239 0.000 0.982 353 E CA 1.032 57.522 56.400 0.150 0.000 0.823 353 E CB -0.153 29.598 29.700 0.084 0.000 0.766 353 E HN 0.151 nan 8.360 nan 0.000 0.468 354 A N 0.534 123.535 122.820 0.302 0.000 1.930 354 A HA -0.163 4.157 4.320 0.000 0.000 0.217 354 A C 2.136 179.798 177.584 0.130 0.000 1.175 354 A CA 1.646 53.809 52.037 0.211 0.000 0.627 354 A CB -0.788 18.333 19.000 0.202 0.000 0.815 354 A HN 0.346 nan 8.150 nan 0.000 0.443 355 N N 0.064 118.860 118.700 0.160 0.000 2.188 355 N HA -0.123 4.617 4.740 0.000 0.000 0.184 355 N C 1.449 176.968 175.510 0.014 0.000 1.018 355 N CA 1.674 54.771 53.050 0.078 0.000 0.858 355 N CB -0.299 38.123 38.487 -0.107 0.000 0.989 355 N HN 0.153 nan 8.380 nan 0.000 0.426 356 V N 1.137 121.071 119.914 0.033 0.000 2.287 356 V HA -0.235 3.885 4.120 0.000 0.000 0.248 356 V C 2.011 178.121 176.094 0.027 0.000 1.053 356 V CA 1.643 63.956 62.300 0.021 0.000 1.027 356 V CB -0.685 31.160 31.823 0.036 0.000 0.646 356 V HN 0.437 nan 8.190 nan 0.000 0.447 357 N N 0.107 118.829 118.700 0.036 0.000 2.084 357 N HA -0.156 4.584 4.740 0.000 0.000 0.190 357 N C 1.763 177.302 175.510 0.048 0.000 1.030 357 N CA 1.490 54.550 53.050 0.017 0.000 0.849 357 N CB -0.527 37.933 38.487 -0.046 0.000 1.012 357 N HN 0.372 nan 8.380 nan 0.000 0.423 358 L N 2.132 123.395 121.223 0.067 0.000 1.989 358 L HA -0.114 4.226 4.340 0.000 0.000 0.211 358 L C 2.130 179.072 176.870 0.121 0.000 1.071 358 L CA 1.713 56.627 54.840 0.124 0.000 0.749 358 L CB -0.470 41.675 42.059 0.144 0.000 0.890 358 L HN -0.008 nan 8.230 nan 0.000 0.431 359 R N -0.334 120.204 120.500 0.063 0.000 2.159 359 R HA -0.165 4.175 4.340 0.000 0.000 0.237 359 R C 2.357 178.680 176.300 0.039 0.000 1.131 359 R CA 1.357 57.482 56.100 0.041 0.000 0.982 359 R CB -0.889 29.405 30.300 -0.010 0.000 0.868 359 R HN 0.472 nan 8.270 nan 0.000 0.453 360 R N 0.490 121.008 120.500 0.031 0.000 2.096 360 R HA -0.108 4.233 4.340 0.000 0.000 0.235 360 R C 1.935 178.237 176.300 0.004 0.000 1.127 360 R CA 2.018 58.121 56.100 0.005 0.000 0.968 360 R CB -0.112 30.184 30.300 -0.007 0.000 0.861 360 R HN 0.339 nan 8.270 nan 0.000 0.440 361 T N -2.571 112.008 114.554 0.041 0.000 3.057 361 T HA 0.073 4.423 4.350 0.000 0.000 0.254 361 T C 1.762 176.517 174.700 0.092 0.000 1.094 361 T CA 0.046 62.165 62.100 0.032 0.000 1.088 361 T CB 0.219 69.089 68.868 0.003 0.000 0.934 361 T HN 0.006 nan 8.240 nan 0.000 0.497 362 M N 1.869 121.552 119.600 0.139 0.000 2.288 362 M HA 0.137 4.617 4.480 0.000 0.000 0.266 362 M C 0.889 177.237 176.300 0.080 0.000 1.072 362 M CA 1.039 56.434 55.300 0.158 0.000 1.132 362 M CB -0.612 32.093 32.600 0.175 0.000 1.386 362 M HN 0.257 nan 8.290 nan 0.000 0.432 363 D N -0.409 120.019 120.400 0.047 0.000 2.349 363 D HA 0.050 4.690 4.640 0.000 0.000 0.214 363 D C 0.879 177.179 176.300 0.001 0.000 1.063 363 D CA 0.099 54.112 54.000 0.020 0.000 0.847 363 D CB 0.197 41.003 40.800 0.010 0.000 0.933 363 D HN 0.240 nan 8.370 nan 0.000 0.513 364 R N 1.710 122.207 120.500 -0.005 0.000 2.491 364 R HA 0.081 4.421 4.340 0.000 0.000 0.283 364 R C -0.198 176.093 176.300 -0.016 0.000 1.072 364 R CA 0.075 56.159 56.100 -0.027 0.000 1.048 364 R CB 0.609 30.883 30.300 -0.044 0.000 0.983 364 R HN -0.039 nan 8.270 nan 0.000 0.450 365 E N 4.434 124.620 120.200 -0.022 0.000 2.266 365 E HA 0.180 4.530 4.350 0.000 0.000 0.277 365 E C -0.675 175.918 176.600 -0.010 0.000 1.018 365 E CA -0.525 55.867 56.400 -0.012 0.000 0.840 365 E CB 1.470 31.162 29.700 -0.014 0.000 1.082 365 E HN 0.460 nan 8.360 nan 0.000 0.395 366 L N 4.616 125.841 121.223 0.004 0.000 2.314 366 L HA 0.323 4.663 4.340 0.000 0.000 0.275 366 L C -2.120 174.760 176.870 0.016 0.000 1.068 366 L CA -1.972 52.877 54.840 0.014 0.000 0.894 366 L CB 0.021 42.103 42.059 0.038 0.000 1.275 366 L HN 0.242 nan 8.230 nan 0.000 0.432 367 P HA 0.035 nan 4.420 nan 0.000 0.266 367 P C -1.774 175.537 177.300 0.018 0.000 1.186 367 P CA -0.753 62.348 63.100 0.001 0.000 0.767 367 P CB 0.150 31.841 31.700 -0.016 0.000 0.820 368 P HA -0.186 nan 4.420 nan 0.000 0.207 368 P C 0.937 178.266 177.300 0.050 0.000 1.115 368 P CA 1.916 65.035 63.100 0.032 0.000 0.956 368 P CB -0.358 31.351 31.700 0.015 0.000 0.774 369 G N -0.842 107.973 108.800 0.025 0.000 3.574 369 G HA2 0.109 4.069 3.960 0.000 0.000 0.262 369 G HA3 0.109 4.069 3.960 0.000 0.000 0.262 369 G C 0.773 175.672 174.900 -0.003 0.000 1.231 369 G CA -0.216 44.899 45.100 0.024 0.000 1.608 369 G HN 0.147 nan 8.290 nan 0.000 0.628 370 L N -0.661 120.562 121.223 -0.000 0.000 2.395 370 L HA 0.133 4.473 4.340 0.000 0.000 0.218 370 L C 1.949 178.661 176.870 -0.263 0.000 1.130 370 L CA 1.381 56.141 54.840 -0.132 0.000 0.826 370 L CB -0.209 41.746 42.059 -0.172 0.000 0.941 370 L HN 0.438 nan 8.230 nan 0.000 0.451 371 H N -1.526 117.523 119.070 -0.037 0.000 2.648 371 H HA 0.190 4.746 4.556 0.000 0.000 0.265 371 H C -0.147 175.136 175.328 -0.074 0.000 0.961 371 H CA -0.219 55.814 56.048 -0.025 0.000 1.185 371 H CB 0.210 29.985 29.762 0.022 0.000 1.449 371 H HN 0.323 nan 8.280 nan 0.000 0.523 372 D N 2.322 122.727 120.400 0.008 0.000 2.449 372 D HA -0.016 4.624 4.640 0.000 0.000 0.236 372 D C -0.062 176.173 176.300 -0.109 0.000 1.149 372 D CA 0.718 54.704 54.000 -0.023 0.000 0.878 372 D CB 0.789 41.575 40.800 -0.023 0.000 1.198 372 D HN 0.224 nan 8.370 nan 0.000 0.446 373 D N -0.702 119.685 120.400 -0.022 0.000 2.253 373 D HA 0.579 5.219 4.640 0.000 0.000 0.249 373 D C 0.685 176.980 176.300 -0.009 0.000 1.049 373 D CA 0.113 54.117 54.000 0.007 0.000 0.929 373 D CB 1.306 42.160 40.800 0.090 0.000 1.176 373 D HN 0.548 nan 8.370 nan 0.000 0.437 374 G N 1.505 110.306 108.800 0.002 0.000 2.663 374 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 374 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 374 G C -2.060 172.829 174.900 -0.018 0.000 1.246 374 G CA -1.153 43.947 45.100 0.001 0.000 0.795 374 G HN 0.364 nan 8.290 nan 0.000 0.627 375 P HA -0.156 nan 4.420 nan 0.000 0.221 375 P C 1.967 179.255 177.300 -0.020 0.000 1.141 375 P CA 1.202 64.296 63.100 -0.011 0.000 0.794 375 P CB 0.126 31.825 31.700 -0.002 0.000 0.764 376 R N 0.020 120.507 120.500 -0.022 0.000 2.070 376 R HA -0.056 4.285 4.340 0.000 0.000 0.233 376 R C 2.181 178.459 176.300 -0.037 0.000 1.137 376 R CA 2.355 58.441 56.100 -0.024 0.000 0.945 376 R CB -1.469 28.820 30.300 -0.018 0.000 0.845 376 R HN 0.200 nan 8.270 nan 0.000 0.430 377 G N 0.585 109.350 108.800 -0.058 0.000 2.551 377 G HA2 -0.120 3.840 3.960 0.000 0.000 0.216 377 G HA3 -0.120 3.840 3.960 0.000 0.000 0.216 377 G C 1.226 176.066 174.900 -0.099 0.000 1.137 377 G CA -0.094 44.955 45.100 -0.085 0.000 0.798 377 G HN 0.296 nan 8.290 nan 0.000 0.536 378 E N 0.466 120.614 120.200 -0.086 0.000 2.204 378 E HA -0.110 4.240 4.350 0.000 0.000 0.195 378 E C 2.362 178.939 176.600 -0.038 0.000 0.990 378 E CA 0.539 56.902 56.400 -0.062 0.000 0.821 378 E CB -0.073 29.608 29.700 -0.031 0.000 0.750 378 E HN 0.474 nan 8.360 nan 0.000 0.477 379 R N 0.512 120.991 120.500 -0.035 0.000 2.115 379 R HA 0.013 4.353 4.340 0.000 0.000 0.226 379 R C 2.363 178.643 176.300 -0.032 0.000 1.100 379 R CA 0.602 56.686 56.100 -0.026 0.000 0.980 379 R CB -0.053 30.234 30.300 -0.022 0.000 0.875 379 R HN 0.102 nan 8.270 nan 0.000 0.445 380 I N 0.184 120.729 120.570 -0.041 0.000 2.315 380 I HA -0.225 3.946 4.170 0.000 0.000 0.248 380 I C 2.273 178.362 176.117 -0.048 0.000 1.117 380 I CA 1.162 62.436 61.300 -0.043 0.000 1.404 380 I CB -0.251 37.721 38.000 -0.046 0.000 1.071 380 I HN 0.178 nan 8.210 nan 0.000 0.419 381 R N 1.061 121.530 120.500 -0.052 0.000 2.070 381 R HA -0.108 4.233 4.340 0.000 0.000 0.233 381 R C 2.520 178.805 176.300 -0.025 0.000 1.137 381 R CA 1.506 57.583 56.100 -0.039 0.000 0.945 381 R CB -0.585 29.696 30.300 -0.032 0.000 0.845 381 R HN 0.326 nan 8.270 nan 0.000 0.430 382 A N 1.404 124.212 122.820 -0.019 0.000 1.986 382 A HA -0.194 4.126 4.320 0.000 0.000 0.220 382 A C 2.352 179.912 177.584 -0.040 0.000 1.171 382 A CA 1.892 53.920 52.037 -0.016 0.000 0.640 382 A CB -0.601 18.393 19.000 -0.009 0.000 0.811 382 A HN 0.445 nan 8.150 nan 0.000 0.451 383 A N -0.703 122.090 122.820 -0.045 0.000 1.873 383 A HA 0.057 4.377 4.320 0.000 0.000 0.215 383 A C 2.231 179.766 177.584 -0.080 0.000 1.186 383 A CA 1.652 53.655 52.037 -0.057 0.000 0.616 383 A CB -0.914 18.057 19.000 -0.047 0.000 0.823 383 A HN 0.393 nan 8.150 nan 0.000 0.442 384 V N 0.096 119.964 119.914 -0.078 0.000 2.295 384 V HA -0.255 3.865 4.120 0.000 0.000 0.246 384 V C 3.079 179.076 176.094 -0.161 0.000 1.049 384 V CA 1.964 64.203 62.300 -0.101 0.000 1.024 384 V CB -1.374 30.407 31.823 -0.071 0.000 0.648 384 V HN 0.606 nan 8.190 nan 0.000 0.447 385 A N 0.211 122.949 122.820 -0.137 0.000 1.948 385 A HA -0.306 4.014 4.320 0.000 0.000 0.220 385 A C 2.197 179.564 177.584 -0.361 0.000 1.177 385 A CA 2.292 54.195 52.037 -0.223 0.000 0.636 385 A CB -0.567 18.406 19.000 -0.045 0.000 0.815 385 A HN 0.605 nan 8.150 nan 0.000 0.449 386 E N 0.661 120.731 120.200 -0.217 0.000 2.038 386 E HA -0.194 4.156 4.350 0.000 0.000 0.195 386 E C 1.874 178.334 176.600 -0.233 0.000 1.000 386 E CA 2.076 58.358 56.400 -0.197 0.000 0.803 386 E CB -0.344 29.287 29.700 -0.116 0.000 0.750 386 E HN 0.616 nan 8.360 nan 0.000 0.448 387 K N 0.049 120.325 120.400 -0.206 0.000 2.147 387 K HA -0.081 4.239 4.320 0.000 0.000 0.205 387 K C 2.395 178.833 176.600 -0.269 0.000 1.049 387 K CA 1.054 57.225 56.287 -0.194 0.000 0.936 387 K CB -0.225 32.186 32.500 -0.148 0.000 0.722 387 K HN 0.225 nan 8.250 nan 0.000 0.446 388 L N 0.958 121.943 121.223 -0.396 0.000 2.046 388 L HA -0.218 4.123 4.340 0.000 0.000 0.208 388 L C 2.605 179.135 176.870 -0.567 0.000 1.077 388 L CA 1.239 55.747 54.840 -0.553 0.000 0.747 388 L CB -0.241 41.333 42.059 -0.808 0.000 0.896 388 L HN 0.179 nan 8.230 nan 0.000 0.432 389 E N 0.535 120.352 120.200 -0.639 0.000 2.023 389 E HA -0.247 4.103 4.350 0.000 0.000 0.196 389 E C 2.230 178.697 176.600 -0.221 0.000 1.003 389 E CA 1.626 57.762 56.400 -0.440 0.000 0.809 389 E CB -0.032 29.460 29.700 -0.347 0.000 0.755 389 E HN 0.230 nan 8.360 nan 0.000 0.449 390 R N 0.022 120.408 120.500 -0.191 0.000 2.152 390 R HA -0.073 4.267 4.340 0.000 0.000 0.232 390 R C 2.498 178.734 176.300 -0.106 0.000 1.117 390 R CA 1.278 57.306 56.100 -0.119 0.000 0.981 390 R CB -0.448 29.790 30.300 -0.104 0.000 0.870 390 R HN 0.301 nan 8.270 nan 0.000 0.451 391 S N -0.160 115.455 115.700 -0.141 0.000 2.515 391 S HA 0.016 4.486 4.470 0.000 0.000 0.231 391 S C 1.341 175.893 174.600 -0.081 0.000 0.987 391 S CA 0.478 58.610 58.200 -0.112 0.000 0.936 391 S CB 0.093 63.206 63.200 -0.144 0.000 0.766 391 S HN 0.506 nan 8.310 nan 0.000 0.528 392 G N 0.832 109.585 108.800 -0.078 0.000 2.256 392 G HA2 -0.116 3.844 3.960 0.000 0.000 0.272 392 G HA3 -0.116 3.844 3.960 0.000 0.000 0.272 392 G C 0.777 175.679 174.900 0.004 0.000 1.076 392 G CA 0.167 45.254 45.100 -0.021 0.000 0.882 392 G HN 1.109 nan 8.290 nan 0.000 0.497 393 A N 0.516 123.313 122.820 -0.039 0.000 1.933 393 A HA 0.002 4.322 4.320 0.000 0.000 0.218 393 A C 2.336 180.062 177.584 0.237 0.000 1.175 393 A CA 2.033 54.083 52.037 0.021 0.000 0.628 393 A CB -0.351 18.494 19.000 -0.258 0.000 0.814 393 A HN 1.229 nan 8.150 nan 0.000 0.444 394 R N -0.371 120.279 120.500 0.249 0.000 2.293 394 R HA -0.021 4.319 4.340 0.000 0.000 0.219 394 R C 1.654 178.114 176.300 0.267 0.000 1.091 394 R CA 1.167 57.480 56.100 0.355 0.000 1.004 394 R CB -0.406 30.062 30.300 0.280 0.000 0.865 394 R HN 0.452 nan 8.270 nan 0.000 0.469 395 R N 0.894 121.492 120.500 0.162 0.000 2.235 395 R HA -0.089 4.251 4.340 0.000 0.000 0.213 395 R C 1.802 178.139 176.300 0.063 0.000 1.059 395 R CA 1.359 57.525 56.100 0.111 0.000 0.997 395 R CB -0.090 30.255 30.300 0.075 0.000 0.884 395 R HN 0.505 nan 8.270 nan 0.000 0.462 396 E N 0.108 120.302 120.200 -0.011 0.000 2.285 396 E HA -0.102 4.248 4.350 0.000 0.000 0.194 396 E C 0.297 176.557 176.600 -0.568 0.000 0.997 396 E CA 0.754 56.967 56.400 -0.312 0.000 0.845 396 E CB 0.238 29.665 29.700 -0.455 0.000 0.782 396 E HN 0.237 nan 8.360 nan 0.000 0.491 397 F N 0.030 120.035 119.950 0.092 0.000 2.654 397 F HA 0.299 4.826 4.527 0.000 0.000 0.303 397 F C -0.273 175.604 175.800 0.129 0.000 1.099 397 F CA -0.346 57.698 58.000 0.073 0.000 1.270 397 F CB 0.961 40.005 39.000 0.074 0.000 1.024 397 F HN -0.132 nan 8.300 nan 0.000 0.548 398 D N 0.877 121.414 120.400 0.229 0.000 2.752 398 D HA 0.428 5.068 4.640 0.000 0.000 0.242 398 D C -0.544 175.855 176.300 0.166 0.000 1.295 398 D CA 0.102 54.236 54.000 0.224 0.000 0.846 398 D CB 0.535 41.470 40.800 0.224 0.000 1.454 398 D HN 0.059 nan 8.370 nan 0.000 0.535 399 A N 3.279 126.180 122.820 0.134 0.000 3.257 399 A HA 0.401 4.721 4.320 0.000 0.000 0.308 399 A C -1.461 176.019 177.584 -0.173 0.000 1.175 399 A CA -0.869 51.147 52.037 -0.036 0.000 1.018 399 A CB 0.322 19.282 19.000 -0.066 0.000 1.088 399 A HN 0.334 nan 8.150 nan 0.000 0.567 400 P HA -0.194 nan 4.420 nan 0.000 0.216 400 P C 1.706 178.731 177.300 -0.458 0.000 1.150 400 P CA 2.062 65.152 63.100 -0.017 0.000 0.837 400 P CB 0.051 31.910 31.700 0.266 0.000 0.786 401 G N 0.629 109.194 108.800 -0.392 0.000 2.418 401 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 401 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 401 G C 1.569 176.077 174.900 -0.654 0.000 1.158 401 G CA 0.449 45.209 45.100 -0.566 0.000 0.771 401 G HN 0.154 nan 8.290 nan 0.000 0.545 402 I N 0.664 120.863 120.570 -0.619 0.000 2.439 402 I HA -0.048 4.123 4.170 0.000 0.000 0.251 402 I C 2.354 178.106 176.117 -0.609 0.000 1.139 402 I CA 0.887 61.758 61.300 -0.715 0.000 1.438 402 I CB -1.091 36.234 38.000 -1.125 0.000 1.085 402 I HN 0.208 nan 8.210 nan 0.000 0.427 403 H N 0.045 118.759 119.070 -0.593 0.000 2.343 403 H HA 0.005 4.562 4.556 0.000 0.000 0.303 403 H C 1.725 176.628 175.328 -0.710 0.000 1.068 403 H CA 1.449 57.059 56.048 -0.730 0.000 1.359 403 H CB -0.155 28.908 29.762 -1.166 0.000 1.402 403 H HN 0.333 nan 8.280 nan 0.000 0.515 404 F N -1.410 118.293 119.950 -0.411 0.000 2.706 404 F HA 0.343 4.871 4.527 0.001 0.000 0.313 404 F C 2.164 177.652 175.800 -0.520 0.000 1.096 404 F CA 0.116 57.837 58.000 -0.466 0.000 1.219 404 F CB 0.363 39.005 39.000 -0.596 0.000 1.051 404 F HN 0.026 nan 8.300 nan 0.000 0.568 405 G N -0.465 107.992 108.800 -0.571 0.000 3.088 405 G HA2 0.004 3.964 3.960 0.000 0.000 0.212 405 G HA3 0.004 3.964 3.960 0.000 0.000 0.212 405 G C 0.230 174.979 174.900 -0.251 0.000 1.173 405 G CA -0.112 44.774 45.100 -0.357 0.000 0.779 405 G HN 0.252 nan 8.290 nan 0.000 0.540 406 H N 0.886 119.900 119.070 -0.093 0.000 2.767 406 H HA 0.225 4.781 4.556 0.000 0.000 0.316 406 H C -0.339 174.917 175.328 -0.119 0.000 1.059 406 H CA 0.519 56.517 56.048 -0.083 0.000 1.461 406 H CB 1.066 30.777 29.762 -0.084 0.000 1.475 406 H HN -0.105 nan 8.280 nan 0.000 0.531 407 T N 5.118 119.678 114.554 0.010 0.000 2.791 407 T HA 0.176 4.526 4.350 0.000 0.000 0.288 407 T C -0.315 174.421 174.700 0.060 0.000 0.999 407 T CA -0.726 61.360 62.100 -0.023 0.000 0.952 407 T CB 0.046 68.929 68.868 0.026 0.000 0.938 407 T HN 0.251 nan 8.240 nan 0.000 0.444 408 Y N 2.108 122.475 120.300 0.111 0.000 2.442 408 Y HA 0.401 4.951 4.550 0.000 0.000 0.330 408 Y C 0.982 176.924 175.900 0.070 0.000 1.129 408 Y CA -1.069 57.072 58.100 0.068 0.000 1.365 408 Y CB 0.293 38.780 38.460 0.046 0.000 1.233 408 Y HN 0.415 nan 8.280 nan 0.000 0.529 409 R N 2.229 122.860 120.500 0.218 0.000 2.477 409 R HA 0.434 4.774 4.340 0.000 0.000 0.285 409 R C -0.974 175.391 176.300 0.107 0.000 1.415 409 R CA -0.274 55.907 56.100 0.135 0.000 1.446 409 R CB -0.056 30.300 30.300 0.095 0.000 1.110 409 R HN 0.761 nan 8.270 nan 0.000 0.590 410 S N -0.665 115.106 115.700 0.118 0.000 2.811 410 S HA 0.294 4.764 4.470 0.000 0.000 0.311 410 S C 0.724 175.377 174.600 0.088 0.000 1.152 410 S CA -0.165 58.083 58.200 0.079 0.000 0.864 410 S CB 1.315 64.548 63.200 0.054 0.000 1.226 410 S HN 0.301 nan 8.310 nan 0.000 0.541 411 S N -0.032 115.710 115.700 0.069 0.000 2.555 411 S HA 0.023 4.493 4.470 0.000 0.000 0.230 411 S C 1.319 175.980 174.600 0.102 0.000 0.978 411 S CA 0.650 58.894 58.200 0.073 0.000 0.934 411 S CB -1.109 62.121 63.200 0.051 0.000 0.766 411 S HN 0.905 nan 8.310 nan 0.000 0.533 412 I N -1.846 118.804 120.570 0.134 0.000 3.974 412 I HA 0.527 4.698 4.170 0.000 0.000 0.334 412 I C -0.620 175.633 176.117 0.227 0.000 1.437 412 I CA -0.572 60.839 61.300 0.185 0.000 1.113 412 I CB 0.679 38.818 38.000 0.232 0.000 1.063 412 I HN -0.021 nan 8.210 nan 0.000 0.400 413 V N 1.515 121.550 119.914 0.201 0.000 2.487 413 V HA 0.244 4.364 4.120 0.000 0.000 0.298 413 V C -0.093 176.116 176.094 0.191 0.000 1.028 413 V CA -0.522 61.911 62.300 0.222 0.000 0.860 413 V CB 1.720 33.681 31.823 0.230 0.000 0.991 413 V HN 0.352 nan 8.190 nan 0.000 0.427 414 C N 5.512 124.946 119.300 0.223 0.000 2.400 414 C HA 0.462 4.922 4.460 0.000 0.000 0.457 414 C C 1.436 176.512 174.990 0.143 0.000 1.020 414 C CA -0.813 58.331 59.018 0.210 0.000 1.258 414 C CB -1.585 26.363 27.740 0.348 0.000 1.532 414 C HN 1.022 nan 8.230 nan 0.000 0.537 415 G N 2.056 110.925 108.800 0.114 0.000 2.594 415 G HA2 0.334 4.294 3.960 0.000 0.000 0.243 415 G HA3 0.334 4.294 3.960 0.000 0.000 0.243 415 G C -0.218 174.710 174.900 0.048 0.000 1.229 415 G CA -0.235 44.911 45.100 0.077 0.000 0.843 415 G HN 0.749 nan 8.290 nan 0.000 0.578 416 E N 1.226 121.438 120.200 0.020 0.000 2.250 416 E HA 0.204 4.554 4.350 0.000 0.000 0.265 416 E C -1.097 175.509 176.600 0.010 0.000 1.033 416 E CA -1.588 54.813 56.400 0.002 0.000 0.888 416 E CB 1.551 31.235 29.700 -0.028 0.000 1.151 416 E HN 0.326 nan 8.360 nan 0.000 0.412 417 P HA -0.222 nan 4.420 nan 0.000 0.213 417 P C 0.244 177.547 177.300 0.004 0.000 1.170 417 P CA 1.530 64.636 63.100 0.009 0.000 0.902 417 P CB -0.467 31.236 31.700 0.006 0.000 0.789 418 E N 1.099 121.296 120.200 -0.006 0.000 3.379 418 E HA 0.136 4.486 4.350 0.000 0.000 0.257 418 E C 0.776 177.374 176.600 -0.003 0.000 0.882 418 E CA 1.181 57.575 56.400 -0.011 0.000 0.962 418 E CB -1.695 27.991 29.700 -0.023 0.000 0.900 418 E HN 0.719 nan 8.360 nan 0.000 0.560 419 T N 0.590 115.143 114.554 -0.001 0.000 2.833 419 T HA 0.679 5.029 4.350 0.000 0.000 0.312 419 T C 0.745 175.446 174.700 0.002 0.000 1.085 419 T CA 0.454 62.557 62.100 0.005 0.000 0.955 419 T CB 0.362 69.233 68.868 0.005 0.000 1.353 419 T HN 1.311 nan 8.240 nan 0.000 0.544 420 E N -0.794 119.410 120.200 0.006 0.000 2.155 420 E HA 0.659 5.009 4.350 0.000 0.000 0.264 420 E C -0.713 175.889 176.600 0.003 0.000 0.886 420 E CA -0.443 55.961 56.400 0.005 0.000 0.752 420 E CB 0.678 30.385 29.700 0.012 0.000 1.133 420 E HN 2.026 nan 8.360 nan 0.000 0.414 421 V N 0.472 120.385 119.914 -0.001 0.000 2.777 421 V HA 0.752 4.872 4.120 0.000 0.000 0.267 421 V C 0.327 176.420 176.094 -0.003 0.000 1.031 421 V CA -0.385 61.914 62.300 -0.001 0.000 0.921 421 V CB 0.907 32.729 31.823 -0.002 0.000 1.055 421 V HN 1.469 nan 8.190 nan 0.000 0.485 422 A N 3.036 125.856 122.820 0.001 0.000 2.580 422 A HA 0.482 4.802 4.320 0.000 0.000 0.244 422 A C 0.993 178.576 177.584 -0.001 0.000 1.045 422 A CA 1.398 53.438 52.037 0.004 0.000 0.761 422 A CB -0.086 18.921 19.000 0.010 0.000 0.962 422 A HN 1.424 nan 8.150 nan 0.000 0.512 423 T N 1.247 115.797 114.554 -0.007 0.000 3.111 423 T HA 0.531 4.881 4.350 0.000 0.000 0.284 423 T C 0.523 175.217 174.700 -0.010 0.000 0.983 423 T CA 0.550 62.644 62.100 -0.011 0.000 0.900 423 T CB 0.127 68.983 68.868 -0.020 0.000 1.132 423 T HN 1.697 nan 8.240 nan 0.000 0.531 424 G N -0.103 108.696 108.800 -0.002 0.000 2.324 424 G HA2 0.464 4.425 3.960 0.000 0.000 0.293 424 G HA3 0.464 4.425 3.960 0.000 0.000 0.293 424 G C -0.333 174.581 174.900 0.023 0.000 1.297 424 G CA -0.370 44.732 45.100 0.005 0.000 0.853 424 G HN 0.263 nan 8.290 nan 0.000 0.535 425 G N -1.191 107.633 108.800 0.039 0.000 2.630 425 G HA2 0.378 4.338 3.960 0.000 0.000 0.236 425 G HA3 0.378 4.338 3.960 0.000 0.000 0.236 425 G C 0.040 174.994 174.900 0.089 0.000 1.248 425 G CA 0.330 45.482 45.100 0.085 0.000 0.844 425 G HN 1.119 nan 8.290 nan 0.000 0.588 426 W N 2.152 123.429 121.300 -0.040 0.000 2.181 426 W HA 0.510 5.170 4.660 0.000 0.000 0.335 426 W C 0.116 176.557 176.519 -0.130 0.000 1.310 426 W CA -0.342 56.956 57.345 -0.079 0.000 1.226 426 W CB 0.575 29.994 29.460 -0.069 0.000 1.155 426 W HN 0.269 nan 8.180 nan 0.000 0.565 427 R N 5.315 125.050 120.500 -1.275 0.000 2.795 427 R HA 0.422 4.762 4.340 0.000 0.000 0.275 427 R C -2.549 172.568 176.300 -1.972 0.000 0.981 427 R CA -2.836 52.448 56.100 -1.360 0.000 0.917 427 R CB 0.559 30.464 30.300 -0.659 0.000 1.202 427 R HN 0.302 nan 8.270 nan 0.000 0.469 428 P HA 0.074 nan 4.420 nan 0.000 0.268 428 P C -0.589 176.359 177.300 -0.587 0.000 1.204 428 P CA 0.293 62.823 63.100 -0.950 0.000 0.768 428 P CB 0.734 32.108 31.700 -0.543 0.000 0.842 429 S N 1.923 117.390 115.700 -0.387 0.000 2.540 429 S HA 0.640 5.110 4.470 0.000 0.000 0.275 429 S C -0.081 174.347 174.600 -0.285 0.000 1.123 429 S CA -0.441 57.575 58.200 -0.307 0.000 0.907 429 S CB 1.124 64.183 63.200 -0.236 0.000 1.081 429 S HN 0.300 nan 8.310 nan 0.000 0.476 430 A N 3.727 126.352 122.820 -0.325 0.000 2.460 430 A HA 0.327 4.647 4.320 0.000 0.000 0.258 430 A C 0.764 178.247 177.584 -0.169 0.000 1.300 430 A CA -0.446 51.389 52.037 -0.336 0.000 0.913 430 A CB -0.382 18.319 19.000 -0.499 0.000 1.031 430 A HN 0.850 nan 8.150 nan 0.000 0.512 431 R N 0.051 120.468 120.500 -0.139 0.000 2.734 431 R HA 0.250 4.590 4.340 0.000 0.000 0.266 431 R C -2.786 173.487 176.300 -0.046 0.000 1.044 431 R CA -0.964 55.082 56.100 -0.090 0.000 1.128 431 R CB -0.476 29.778 30.300 -0.077 0.000 1.010 431 R HN -0.055 nan 8.270 nan 0.000 0.461 432 P HA 0.003 nan 4.420 nan 0.000 0.260 432 P C 0.291 177.639 177.300 0.080 0.000 1.185 432 P CA 1.547 64.671 63.100 0.041 0.000 0.763 432 P CB 0.824 32.546 31.700 0.038 0.000 0.776 433 G N 2.183 111.060 108.800 0.128 0.000 2.259 433 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 433 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 433 G C 0.414 175.365 174.900 0.084 0.000 1.001 433 G CA 0.001 45.196 45.100 0.159 0.000 0.627 433 G HN 0.815 nan 8.290 nan 0.000 0.501 434 A N 0.240 123.088 122.820 0.047 0.000 2.246 434 A HA 0.785 5.105 4.320 0.000 0.000 0.291 434 A C 0.737 178.206 177.584 -0.192 0.000 1.103 434 A CA 0.475 52.504 52.037 -0.013 0.000 0.844 434 A CB 0.390 19.373 19.000 -0.028 0.000 1.136 434 A HN 0.976 nan 8.150 nan 0.000 0.500 435 R N 0.953 121.216 120.500 -0.395 0.000 2.296 435 R HA 0.397 4.737 4.340 0.000 0.000 0.323 435 R C 0.102 176.230 176.300 -0.287 0.000 1.067 435 R CA 0.175 55.907 56.100 -0.614 0.000 0.946 435 R CB 0.111 30.177 30.300 -0.390 0.000 0.991 435 R HN 0.814 nan 8.270 nan 0.000 0.448 436 A N 7.812 130.465 122.820 -0.280 0.000 2.553 436 A HA 0.147 4.467 4.320 0.000 0.000 0.258 436 A C -1.870 175.695 177.584 -0.031 0.000 1.069 436 A CA -1.001 50.940 52.037 -0.159 0.000 0.767 436 A CB -0.323 18.549 19.000 -0.213 0.000 0.997 436 A HN 0.700 nan 8.150 nan 0.000 0.512 437 P HA -0.020 nan 4.420 nan 0.000 0.268 437 P C -0.377 176.967 177.300 0.074 0.000 1.208 437 P CA 0.255 63.293 63.100 -0.103 0.000 0.777 437 P CB 0.420 31.949 31.700 -0.285 0.000 0.875 438 H N 1.377 120.404 119.070 -0.072 0.000 2.562 438 H HA 0.569 5.125 4.556 0.000 0.000 0.352 438 H C -0.989 174.265 175.328 -0.123 0.000 1.125 438 H CA -0.226 55.747 56.048 -0.125 0.000 1.379 438 H CB 0.511 30.119 29.762 -0.256 0.000 1.464 438 H HN 0.632 nan 8.280 nan 0.000 0.563 439 A N 4.142 126.362 122.820 -1.000 0.000 2.577 439 A HA 0.286 4.607 4.320 0.000 0.000 0.297 439 A C -1.841 175.358 177.584 -0.642 0.000 1.060 439 A CA -0.811 50.744 52.037 -0.802 0.000 0.697 439 A CB 0.467 19.347 19.000 -0.200 0.000 1.281 439 A HN 0.753 nan 8.150 nan 0.000 0.402 440 W N 2.739 123.877 121.300 -0.270 0.000 2.388 440 W HA 0.434 5.094 4.660 0.000 0.000 0.308 440 W C 0.834 177.325 176.519 -0.047 0.000 1.263 440 W CA -0.328 56.978 57.345 -0.065 0.000 1.286 440 W CB 1.010 30.468 29.460 -0.002 0.000 1.294 440 W HN 0.666 nan 8.180 nan 0.000 0.493 441 L N 2.679 124.035 121.223 0.221 0.000 2.095 441 L HA 0.020 4.360 4.340 0.000 0.000 0.204 441 L C 1.529 178.477 176.870 0.130 0.000 1.080 441 L CA 1.523 56.432 54.840 0.116 0.000 0.759 441 L CB -0.655 41.435 42.059 0.051 0.000 0.914 441 L HN 0.465 nan 8.230 nan 0.000 0.439 442 T N -6.609 108.046 114.554 0.168 0.000 2.883 442 T HA 0.378 4.728 4.350 0.000 0.000 0.301 442 T C -2.306 172.413 174.700 0.033 0.000 1.158 442 T CA -1.770 60.379 62.100 0.081 0.000 1.007 442 T CB 1.530 70.423 68.868 0.041 0.000 1.186 442 T HN -0.294 nan 8.240 nan 0.000 0.499 443 P HA -0.127 nan 4.420 nan 0.000 0.218 443 P C 1.317 178.320 177.300 -0.495 0.000 1.147 443 P CA 1.877 64.747 63.100 -0.384 0.000 0.827 443 P CB -0.048 31.501 31.700 -0.252 0.000 0.778 444 T N -8.129 106.318 114.554 -0.179 0.000 3.010 444 T HA 0.159 4.509 4.350 0.000 0.000 0.257 444 T C 0.549 175.346 174.700 0.162 0.000 1.020 444 T CA 0.046 62.103 62.100 -0.071 0.000 0.938 444 T CB -0.253 68.593 68.868 -0.036 0.000 1.049 444 T HN -0.129 nan 8.240 nan 0.000 0.522 445 T N 2.100 116.817 114.554 0.272 0.000 2.812 445 T HA 0.634 4.984 4.350 0.000 0.000 0.282 445 T C -0.682 174.267 174.700 0.414 0.000 0.990 445 T CA -0.541 61.734 62.100 0.291 0.000 0.960 445 T CB 1.822 70.761 68.868 0.118 0.000 0.948 445 T HN 0.261 nan 8.240 nan 0.000 0.438 446 S N 1.340 117.174 115.700 0.224 0.000 2.651 446 S HA 0.376 4.846 4.470 0.000 0.000 0.291 446 S C 1.807 176.334 174.600 -0.122 0.000 1.141 446 S CA -0.239 57.942 58.200 -0.033 0.000 1.027 446 S CB 0.956 64.023 63.200 -0.222 0.000 1.043 446 S HN 0.837 nan 8.310 nan 0.000 0.530 447 T N 2.440 116.901 114.554 -0.155 0.000 2.803 447 T HA -0.114 4.236 4.350 0.000 0.000 0.269 447 T C 1.686 176.027 174.700 -0.599 0.000 1.052 447 T CA 1.119 63.062 62.100 -0.261 0.000 1.136 447 T CB -0.454 68.405 68.868 -0.015 0.000 0.864 447 T HN 0.428 nan 8.240 nan 0.000 0.467 448 L N 1.988 123.035 121.223 -0.293 0.000 2.191 448 L HA -0.012 4.328 4.340 0.000 0.000 0.212 448 L C 2.082 178.737 176.870 -0.360 0.000 1.103 448 L CA 1.465 56.152 54.840 -0.255 0.000 0.769 448 L CB -0.774 41.246 42.059 -0.064 0.000 0.908 448 L HN 0.267 nan 8.230 nan 0.000 0.438 449 D N -0.837 119.386 120.400 -0.296 0.000 2.350 449 D HA -0.090 4.551 4.640 0.000 0.000 0.216 449 D C 2.117 178.254 176.300 -0.271 0.000 0.968 449 D CA 0.759 54.637 54.000 -0.204 0.000 0.894 449 D CB 0.133 40.875 40.800 -0.096 0.000 0.909 449 D HN 0.355 nan 8.370 nan 0.000 0.520 450 L N -0.562 120.334 121.223 -0.544 0.000 2.446 450 L HA 0.079 4.420 4.340 0.000 0.000 0.219 450 L C 0.299 177.002 176.870 -0.278 0.000 1.116 450 L CA 0.174 54.736 54.840 -0.465 0.000 0.844 450 L CB -0.042 41.673 42.059 -0.575 0.000 0.970 450 L HN -0.162 nan 8.230 nan 0.000 0.457 451 F N -0.353 119.570 119.950 -0.044 0.000 2.450 451 F HA 0.661 5.188 4.527 0.000 0.000 0.328 451 F C 1.256 177.020 175.800 -0.059 0.000 1.068 451 F CA -1.000 56.964 58.000 -0.060 0.000 1.007 451 F CB 0.695 39.656 39.000 -0.065 0.000 1.251 451 F HN -0.064 nan 8.300 nan 0.000 0.492 452 G N 0.580 109.463 108.800 0.138 0.000 2.380 452 G HA2 -0.186 3.774 3.960 0.000 0.000 0.197 452 G HA3 -0.186 3.774 3.960 0.000 0.000 0.197 452 G C 1.049 176.003 174.900 0.090 0.000 1.001 452 G CA -0.056 45.090 45.100 0.077 0.000 0.668 452 G HN 0.583 nan 8.290 nan 0.000 0.483 453 R N 0.399 120.947 120.500 0.081 0.000 1.855 453 R HA 0.544 4.884 4.340 0.000 0.000 0.168 453 R C 1.783 178.123 176.300 0.066 0.000 1.791 453 R CA 0.735 56.894 56.100 0.097 0.000 1.428 453 R CB -0.441 29.914 30.300 0.091 0.000 1.037 453 R HN 0.362 nan 8.270 nan 0.000 0.483 454 G N -0.283 108.538 108.800 0.036 0.000 2.671 454 G HA2 0.393 4.354 3.960 0.000 0.000 0.275 454 G HA3 0.393 4.354 3.960 0.000 0.000 0.275 454 G C -0.798 174.057 174.900 -0.074 0.000 1.368 454 G CA -0.738 44.365 45.100 0.004 0.000 1.044 454 G HN 0.048 nan 8.290 nan 0.000 0.543 455 F N -0.955 118.921 119.950 -0.123 0.000 2.496 455 F HA 0.419 4.946 4.527 0.000 0.000 0.344 455 F C 0.634 176.337 175.800 -0.162 0.000 1.155 455 F CA 0.432 58.347 58.000 -0.141 0.000 1.302 455 F CB 1.365 40.286 39.000 -0.132 0.000 1.159 455 F HN 0.001 nan 8.300 nan 0.000 0.595 456 V N 3.784 123.741 119.914 0.072 0.000 2.760 456 V HA 0.385 4.506 4.120 0.000 0.000 0.309 456 V C -1.230 174.872 176.094 0.014 0.000 1.077 456 V CA -0.858 61.462 62.300 0.033 0.000 0.910 456 V CB 2.015 33.939 31.823 0.169 0.000 1.008 456 V HN 0.487 nan 8.190 nan 0.000 0.424 457 L N 5.718 126.911 121.223 -0.050 0.000 2.316 457 L HA 0.627 4.967 4.340 0.000 0.000 0.280 457 L C -0.908 175.921 176.870 -0.070 0.000 1.006 457 L CA 0.088 54.907 54.840 -0.035 0.000 0.836 457 L CB 1.137 43.141 42.059 -0.093 0.000 1.221 457 L HN 0.579 nan 8.230 nan 0.000 0.418 458 L N 4.241 125.410 121.223 -0.091 0.000 2.276 458 L HA 0.523 4.863 4.340 0.000 0.000 0.286 458 L C -0.062 176.566 176.870 -0.403 0.000 1.061 458 L CA -0.073 54.562 54.840 -0.342 0.000 0.807 458 L CB 1.464 43.225 42.059 -0.496 0.000 1.177 458 L HN 0.630 nan 8.230 nan 0.000 0.429 459 S N 2.797 118.193 115.700 -0.506 0.000 2.596 459 S HA 0.390 4.861 4.470 0.000 0.000 0.318 459 S C 0.183 174.411 174.600 -0.620 0.000 1.097 459 S CA -0.497 57.462 58.200 -0.402 0.000 1.080 459 S CB 0.840 63.986 63.200 -0.090 0.000 0.991 459 S HN 0.382 nan 8.310 nan 0.000 0.471 460 F N 1.504 121.193 119.950 -0.434 0.000 2.754 460 F HA 0.320 4.847 4.527 0.000 0.000 0.297 460 F C 1.724 177.270 175.800 -0.423 0.000 1.122 460 F CA 0.103 57.773 58.000 -0.550 0.000 1.400 460 F CB 0.267 38.617 39.000 -1.083 0.000 1.117 460 F HN 0.684 nan 8.300 nan 0.000 0.587 461 G N -1.109 107.581 108.800 -0.184 0.000 3.054 461 G HA2 0.186 4.147 3.960 0.000 0.000 0.201 461 G HA3 0.186 4.147 3.960 0.000 0.000 0.201 461 G C -0.312 174.582 174.900 -0.010 0.000 1.694 461 G CA -0.028 45.043 45.100 -0.049 0.000 0.742 461 G HN -0.067 nan 8.290 nan 0.000 0.790 462 T N 0.775 115.339 114.554 0.017 0.000 2.884 462 T HA 0.399 4.749 4.350 0.000 0.000 0.298 462 T C 1.255 176.025 174.700 0.118 0.000 0.998 462 T CA 0.661 62.804 62.100 0.071 0.000 1.124 462 T CB 0.737 69.665 68.868 0.099 0.000 0.931 462 T HN 0.598 nan 8.240 nan 0.000 0.531 463 T N 1.512 116.123 114.554 0.095 0.000 3.312 463 T HA 0.220 4.570 4.350 0.000 0.000 0.251 463 T C 0.009 174.761 174.700 0.086 0.000 1.012 463 T CA -0.711 61.450 62.100 0.101 0.000 0.925 463 T CB -0.262 68.629 68.868 0.037 0.000 1.049 463 T HN 0.505 nan 8.240 nan 0.000 0.583 464 D N 1.601 122.068 120.400 0.111 0.000 2.383 464 D HA 0.415 5.056 4.640 0.000 0.000 0.252 464 D C 1.470 177.790 176.300 0.032 0.000 1.166 464 D CA 1.261 55.305 54.000 0.073 0.000 0.879 464 D CB 1.064 41.921 40.800 0.096 0.000 1.164 464 D HN 0.473 nan 8.370 nan 0.000 0.462 465 G N 1.373 110.170 108.800 -0.005 0.000 2.284 465 G HA2 -0.362 3.598 3.960 0.000 0.000 0.230 465 G HA3 -0.362 3.598 3.960 0.000 0.000 0.230 465 G C 1.366 176.220 174.900 -0.078 0.000 1.021 465 G CA 0.191 45.261 45.100 -0.050 0.000 0.619 465 G HN 0.450 nan 8.290 nan 0.000 0.510 466 V N 1.311 121.183 119.914 -0.071 0.000 2.324 466 V HA -0.229 3.892 4.120 0.000 0.000 0.250 466 V C 2.486 178.545 176.094 -0.058 0.000 1.060 466 V CA 3.155 65.411 62.300 -0.073 0.000 1.042 466 V CB -0.487 31.312 31.823 -0.039 0.000 0.650 466 V HN 0.693 nan 8.190 nan 0.000 0.450 467 E N 0.179 120.355 120.200 -0.040 0.000 2.097 467 E HA -0.273 4.078 4.350 0.000 0.000 0.196 467 E C 2.183 178.763 176.600 -0.034 0.000 1.000 467 E CA 1.584 57.963 56.400 -0.034 0.000 0.804 467 E CB -0.280 29.405 29.700 -0.024 0.000 0.740 467 E HN 0.598 nan 8.360 nan 0.000 0.454 468 A N 0.176 122.973 122.820 -0.037 0.000 2.015 468 A HA -0.091 4.230 4.320 0.000 0.000 0.219 468 A C 2.331 179.898 177.584 -0.029 0.000 1.163 468 A CA 1.175 53.190 52.037 -0.038 0.000 0.646 468 A CB -0.332 18.640 19.000 -0.046 0.000 0.806 468 A HN 0.226 nan 8.150 nan 0.000 0.448 469 V N -0.288 119.608 119.914 -0.030 0.000 2.358 469 V HA -0.207 3.913 4.120 0.000 0.000 0.246 469 V C 2.723 178.889 176.094 0.120 0.000 1.047 469 V CA 2.411 64.731 62.300 0.034 0.000 1.035 469 V CB -1.293 30.509 31.823 -0.036 0.000 0.658 469 V HN 0.591 nan 8.190 nan 0.000 0.452 470 T N 0.170 114.727 114.554 0.005 0.000 2.684 470 T HA -0.272 4.078 4.350 0.000 0.000 0.267 470 T C 2.079 176.799 174.700 0.033 0.000 1.036 470 T CA 2.038 64.131 62.100 -0.012 0.000 1.148 470 T CB -0.296 68.541 68.868 -0.051 0.000 0.863 470 T HN 0.339 nan 8.240 nan 0.000 0.436 471 R N 1.920 122.423 120.500 0.006 0.000 2.081 471 R HA 0.107 4.447 4.340 0.000 0.000 0.235 471 R C 2.403 178.689 176.300 -0.022 0.000 1.131 471 R CA 1.778 57.868 56.100 -0.017 0.000 0.960 471 R CB -1.072 29.210 30.300 -0.030 0.000 0.856 471 R HN 0.323 nan 8.270 nan 0.000 0.436 472 A N -0.416 122.394 122.820 -0.017 0.000 1.940 472 A HA -0.120 4.200 4.320 0.000 0.000 0.219 472 A C 2.088 179.573 177.584 -0.165 0.000 1.176 472 A CA 1.574 53.550 52.037 -0.103 0.000 0.631 472 A CB -0.788 18.120 19.000 -0.153 0.000 0.814 472 A HN 0.405 nan 8.150 nan 0.000 0.446 473 F N -0.135 119.715 119.950 -0.167 0.000 2.163 473 F HA 0.025 4.552 4.527 0.000 0.000 0.297 473 F C 2.776 178.467 175.800 -0.182 0.000 1.094 473 F CA 0.914 58.799 58.000 -0.192 0.000 1.290 473 F CB -0.496 38.377 39.000 -0.212 0.000 1.017 473 F HN 0.248 nan 8.300 nan 0.000 0.483 474 A N -0.123 122.703 122.820 0.010 0.000 1.933 474 A HA -0.187 4.133 4.320 0.000 0.000 0.218 474 A C 1.890 179.332 177.584 -0.238 0.000 1.175 474 A CA 1.964 53.931 52.037 -0.116 0.000 0.628 474 A CB -0.806 18.137 19.000 -0.095 0.000 0.814 474 A HN 0.257 nan 8.150 nan 0.000 0.444 475 D N -0.660 119.646 120.400 -0.156 0.000 2.265 475 D HA -0.092 4.548 4.640 0.000 0.000 0.208 475 D C 1.526 177.770 176.300 -0.094 0.000 0.977 475 D CA 0.793 54.710 54.000 -0.139 0.000 0.871 475 D CB -0.083 40.666 40.800 -0.086 0.000 0.925 475 D HN 0.223 nan 8.370 nan 0.000 0.485 476 R N -0.451 120.003 120.500 -0.077 0.000 2.432 476 R HA 0.092 4.433 4.340 0.000 0.000 0.260 476 R C -0.147 176.280 176.300 0.211 0.000 0.935 476 R CA -0.341 55.802 56.100 0.071 0.000 1.080 476 R CB -0.341 29.943 30.300 -0.027 0.000 1.155 476 R HN 0.258 nan 8.270 nan 0.000 0.531 477 H N -1.891 117.193 119.070 0.023 0.000 2.921 477 H HA -0.135 4.421 4.556 0.000 0.000 0.281 477 H C -0.318 174.963 175.328 -0.078 0.000 1.165 477 H CA 0.688 56.756 56.048 0.033 0.000 1.151 477 H CB -1.931 27.898 29.762 0.111 0.000 1.311 477 H HN -0.104 nan 8.280 nan 0.000 0.361 478 V N 2.741 122.597 119.914 -0.097 0.000 2.432 478 V HA 0.193 4.313 4.120 0.000 0.000 0.271 478 V C -1.449 174.486 176.094 -0.265 0.000 1.046 478 V CA -1.384 60.646 62.300 -0.449 0.000 0.945 478 V CB 1.075 32.719 31.823 -0.299 0.000 0.992 478 V HN 0.086 nan 8.190 nan 0.000 0.471 479 P HA 0.155 nan 4.420 nan 0.000 0.263 479 P C -0.897 176.348 177.300 -0.091 0.000 1.195 479 P CA -0.020 62.984 63.100 -0.160 0.000 0.762 479 P CB 1.263 32.898 31.700 -0.108 0.000 0.799 480 L N 2.738 123.876 121.223 -0.141 0.000 2.445 480 L HA 0.518 4.858 4.340 0.000 0.000 0.262 480 L C -0.875 175.881 176.870 -0.191 0.000 0.974 480 L CA -0.475 54.200 54.840 -0.275 0.000 0.822 480 L CB 2.516 44.162 42.059 -0.688 0.000 1.339 480 L HN 0.289 nan 8.230 nan 0.000 0.409 481 E N 1.590 121.692 120.200 -0.164 0.000 2.234 481 E HA 0.558 4.909 4.350 0.000 0.000 0.266 481 E C -1.234 175.289 176.600 -0.128 0.000 0.877 481 E CA -0.702 55.631 56.400 -0.112 0.000 0.758 481 E CB 1.959 31.625 29.700 -0.057 0.000 1.170 481 E HN 0.674 nan 8.360 nan 0.000 0.415 482 T N -0.851 113.630 114.554 -0.122 0.000 2.771 482 T HA 0.561 4.911 4.350 0.000 0.000 0.281 482 T C -0.308 174.322 174.700 -0.117 0.000 0.982 482 T CA -0.704 61.322 62.100 -0.123 0.000 0.978 482 T CB 0.879 69.676 68.868 -0.119 0.000 0.930 482 T HN 0.088 nan 8.240 nan 0.000 0.447 483 V N 3.532 123.361 119.914 -0.141 0.000 2.487 483 V HA 0.478 4.598 4.120 0.000 0.000 0.298 483 V C 0.239 176.182 176.094 -0.253 0.000 1.028 483 V CA -0.793 61.401 62.300 -0.177 0.000 0.860 483 V CB 1.960 33.678 31.823 -0.176 0.000 0.991 483 V HN 1.082 nan 8.190 nan 0.000 0.427 484 T N 3.928 118.330 114.554 -0.254 0.000 2.733 484 T HA 0.347 4.697 4.350 0.000 0.000 0.294 484 T C -0.396 174.031 174.700 -0.455 0.000 0.956 484 T CA -0.130 61.772 62.100 -0.330 0.000 0.987 484 T CB 0.814 69.531 68.868 -0.252 0.000 0.920 484 T HN 0.788 nan 8.240 nan 0.000 0.470 485 C N 4.613 123.588 119.300 -0.542 0.000 2.456 485 C HA 0.537 4.997 4.460 0.000 0.000 0.325 485 C C 1.145 175.913 174.990 -0.370 0.000 1.217 485 C CA -0.487 58.254 59.018 -0.463 0.000 1.687 485 C CB 0.213 27.712 27.740 -0.400 0.000 2.270 485 C HN 1.027 nan 8.230 nan 0.000 0.499 486 H N 2.969 122.039 119.070 0.000 0.000 2.368 486 H HA 0.228 4.784 4.556 0.000 0.000 0.311 486 H C 1.621 177.004 175.328 0.093 0.000 1.042 486 H CA 1.239 57.311 56.048 0.040 0.000 1.377 486 H CB -0.940 28.832 29.762 0.018 0.000 1.473 486 H HN 0.827 nan 8.280 nan 0.000 0.593 487 A N 4.686 127.624 122.820 0.197 0.000 2.336 487 A HA -0.105 4.215 4.320 0.000 0.000 0.311 487 A C -1.004 176.665 177.584 0.142 0.000 0.919 487 A CA -0.169 51.954 52.037 0.143 0.000 1.275 487 A CB -0.271 18.796 19.000 0.111 0.000 0.717 487 A HN 0.320 nan 8.150 nan 0.000 0.359 488 P HA -0.182 nan 4.420 nan 0.000 0.218 488 P C 0.792 178.111 177.300 0.032 0.000 1.149 488 P CA 1.589 64.745 63.100 0.093 0.000 0.817 488 P CB 0.188 31.923 31.700 0.059 0.000 0.785 489 E N 0.613 120.828 120.200 0.025 0.000 2.051 489 E HA -0.138 4.212 4.350 0.000 0.000 0.192 489 E C 2.227 178.819 176.600 -0.014 0.000 0.991 489 E CA 1.078 57.477 56.400 -0.001 0.000 0.799 489 E CB -1.292 28.416 29.700 0.013 0.000 0.748 489 E HN 0.306 nan 8.360 nan 0.000 0.449 490 I N 0.429 121.006 120.570 0.011 0.000 2.394 490 I HA -0.246 3.924 4.170 0.000 0.000 0.251 490 I C 2.527 178.510 176.117 -0.225 0.000 1.136 490 I CA 1.284 62.593 61.300 0.014 0.000 1.425 490 I CB -0.373 37.692 38.000 0.108 0.000 1.079 490 I HN 0.239 nan 8.210 nan 0.000 0.425 491 H N 1.012 119.768 119.070 -0.524 0.000 2.353 491 H HA -0.163 4.393 4.556 0.000 0.000 0.300 491 H C 2.369 177.409 175.328 -0.480 0.000 1.090 491 H CA 1.179 56.678 56.048 -0.915 0.000 1.327 491 H CB 0.284 29.767 29.762 -0.465 0.000 1.383 491 H HN 0.343 nan 8.280 nan 0.000 0.508 492 A N 0.929 123.630 122.820 -0.198 0.000 1.902 492 A HA -0.159 4.161 4.320 0.000 0.000 0.217 492 A C 2.335 179.829 177.584 -0.151 0.000 1.181 492 A CA 1.417 53.335 52.037 -0.199 0.000 0.623 492 A CB -0.741 18.171 19.000 -0.146 0.000 0.818 492 A HN 0.467 nan 8.150 nan 0.000 0.443 493 L N -1.644 119.518 121.223 -0.102 0.000 2.017 493 L HA -0.132 4.208 4.340 0.000 0.000 0.208 493 L C 2.209 178.990 176.870 -0.149 0.000 1.073 493 L CA 1.991 56.769 54.840 -0.104 0.000 0.745 493 L CB -0.828 41.212 42.059 -0.030 0.000 0.894 493 L HN 0.446 nan 8.230 nan 0.000 0.432 494 Y N 0.187 120.350 120.300 -0.228 0.000 2.457 494 Y HA -0.084 4.466 4.550 0.000 0.000 0.292 494 Y C 1.843 177.653 175.900 -0.151 0.000 1.125 494 Y CA 0.853 58.854 58.100 -0.165 0.000 1.254 494 Y CB -0.000 38.381 38.460 -0.132 0.000 1.012 494 Y HN 0.376 nan 8.280 nan 0.000 0.555 495 E N -1.929 118.233 120.200 -0.062 0.000 5.052 495 E HA -0.269 4.081 4.350 0.000 0.000 0.167 495 E C 0.407 176.987 176.600 -0.034 0.000 1.146 495 E CA 1.276 57.620 56.400 -0.095 0.000 2.262 495 E CB -0.993 28.643 29.700 -0.108 0.000 1.785 495 E HN 0.157 nan 8.360 nan 0.000 0.455 496 R N -0.043 120.481 120.500 0.040 0.000 2.553 496 R HA 0.574 4.914 4.340 0.000 0.000 0.263 496 R C 1.100 177.511 176.300 0.186 0.000 1.066 496 R CA 0.634 56.773 56.100 0.065 0.000 1.135 496 R CB 0.581 30.871 30.300 -0.017 0.000 1.148 496 R HN 0.249 nan 8.270 nan 0.000 0.558 497 A N 0.935 123.807 122.820 0.086 0.000 2.021 497 A HA 0.006 4.326 4.320 0.000 0.000 0.216 497 A C 0.184 177.585 177.584 -0.305 0.000 1.163 497 A CA 0.990 52.971 52.037 -0.093 0.000 0.676 497 A CB -0.027 18.820 19.000 -0.254 0.000 0.818 497 A HN 0.512 nan 8.150 nan 0.000 0.453 498 H N -1.101 118.068 119.070 0.165 0.000 2.689 498 H HA 0.561 5.117 4.556 0.000 0.000 0.346 498 H C -1.615 173.841 175.328 0.214 0.000 1.037 498 H CA -0.559 55.603 56.048 0.191 0.000 1.234 498 H CB 1.721 31.677 29.762 0.323 0.000 1.572 498 H HN -0.020 nan 8.280 nan 0.000 0.524 499 V N 4.277 124.377 119.914 0.311 0.000 2.577 499 V HA 0.142 4.262 4.120 0.000 0.000 0.303 499 V C -0.449 175.806 176.094 0.269 0.000 1.042 499 V CA -0.780 61.689 62.300 0.282 0.000 0.872 499 V CB 2.558 34.581 31.823 0.334 0.000 0.998 499 V HN 0.430 nan 8.190 nan 0.000 0.423 500 L N 6.732 128.163 121.223 0.347 0.000 2.262 500 L HA 0.652 4.992 4.340 0.000 0.000 0.288 500 L C -0.409 176.589 176.870 0.213 0.000 1.035 500 L CA 0.179 55.196 54.840 0.296 0.000 0.820 500 L CB 1.330 43.634 42.059 0.409 0.000 1.204 500 L HN 0.476 nan 8.230 nan 0.000 0.424 501 V N 5.768 125.726 119.914 0.073 0.000 2.472 501 V HA 0.507 4.627 4.120 0.000 0.000 0.290 501 V C 0.651 176.681 176.094 -0.107 0.000 1.037 501 V CA -0.763 61.463 62.300 -0.123 0.000 0.908 501 V CB 1.440 32.919 31.823 -0.574 0.000 0.985 501 V HN 0.707 nan 8.190 nan 0.000 0.454 502 R N 4.234 124.599 120.500 -0.225 0.000 2.726 502 R HA 0.226 4.566 4.340 0.000 0.000 0.272 502 R C -1.659 174.183 176.300 -0.763 0.000 1.097 502 R CA -1.303 54.402 56.100 -0.660 0.000 1.198 502 R CB 0.103 30.063 30.300 -0.567 0.000 1.114 502 R HN 0.423 nan 8.270 nan 0.000 0.550 503 P HA -0.149 nan 4.420 nan 0.000 0.223 503 P C -0.086 176.895 177.300 -0.533 0.000 1.144 503 P CA 1.245 63.923 63.100 -0.704 0.000 0.783 503 P CB 0.106 31.403 31.700 -0.671 0.000 0.771 504 D N -2.641 117.342 120.400 -0.694 0.000 2.363 504 D HA 0.142 4.782 4.640 0.000 0.000 0.214 504 D C 1.357 177.638 176.300 -0.033 0.000 1.093 504 D CA 0.221 54.071 54.000 -0.249 0.000 0.837 504 D CB -0.793 39.937 40.800 -0.116 0.000 0.948 504 D HN 0.141 nan 8.370 nan 0.000 0.507 505 G N -0.096 108.606 108.800 -0.164 0.000 2.179 505 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 505 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 505 G C -0.010 174.704 174.900 -0.310 0.000 0.977 505 G CA 0.053 45.016 45.100 -0.228 0.000 0.641 505 G HN 0.563 nan 8.290 nan 0.000 0.533 506 H N -0.394 118.560 119.070 -0.193 0.000 2.472 506 H HA 0.460 5.016 4.556 0.000 0.000 0.335 506 H C 0.295 175.566 175.328 -0.096 0.000 1.136 506 H CA -0.464 55.521 56.048 -0.106 0.000 1.264 506 H CB 1.946 31.727 29.762 0.032 0.000 1.486 506 H HN 0.057 nan 8.280 nan 0.000 0.517 507 V N 2.275 122.209 119.914 0.033 0.000 2.572 507 V HA 0.026 4.147 4.120 0.000 0.000 0.291 507 V C 1.058 177.257 176.094 0.175 0.000 1.039 507 V CA 0.440 62.780 62.300 0.066 0.000 1.055 507 V CB 0.953 32.794 31.823 0.030 0.000 0.969 507 V HN 0.945 nan 8.190 nan 0.000 0.482 508 A N 4.354 127.319 122.820 0.242 0.000 2.035 508 A HA 0.327 4.647 4.320 0.000 0.000 0.208 508 A C 0.231 178.042 177.584 0.378 0.000 1.206 508 A CA 0.136 52.369 52.037 0.328 0.000 0.773 508 A CB 0.250 19.507 19.000 0.429 0.000 0.878 508 A HN 0.890 nan 8.150 nan 0.000 0.469 509 W N -0.039 121.344 121.300 0.139 0.000 3.275 509 W HA 0.549 5.209 4.660 0.000 0.000 0.306 509 W C -1.366 175.224 176.519 0.118 0.000 1.259 509 W CA -0.606 56.810 57.345 0.118 0.000 1.194 509 W CB 0.812 30.339 29.460 0.111 0.000 1.375 509 W HN 0.324 nan 8.180 nan 0.000 0.564 510 R N 3.743 123.569 120.500 -1.122 0.000 2.643 510 R HA 0.916 5.256 4.340 0.000 0.000 0.269 510 R C -0.968 174.407 176.300 -1.542 0.000 1.037 510 R CA -0.649 54.801 56.100 -1.083 0.000 0.894 510 R CB 1.682 31.770 30.300 -0.353 0.000 1.238 510 R HN 1.107 nan 8.270 nan 0.000 0.459 511 G N 0.588 108.760 108.800 -1.046 0.000 2.466 511 G HA2 0.216 4.176 3.960 0.000 0.000 0.291 511 G HA3 0.216 4.176 3.960 0.000 0.000 0.291 511 G C -1.030 173.852 174.900 -0.031 0.000 1.460 511 G CA -0.631 44.196 45.100 -0.455 0.000 0.791 511 G HN 0.517 nan 8.290 nan 0.000 0.505 512 D N -0.373 120.015 120.400 -0.021 0.000 2.349 512 D HA 0.097 4.737 4.640 0.000 0.000 0.215 512 D C -0.100 176.006 176.300 -0.324 0.000 1.016 512 D CA 0.946 54.849 54.000 -0.162 0.000 0.870 512 D CB 0.212 40.844 40.800 -0.279 0.000 0.917 512 D HN 0.346 nan 8.370 nan 0.000 0.524 513 H N 0.532 119.821 119.070 0.366 0.000 2.877 513 H HA 0.179 4.736 4.556 0.000 0.000 0.347 513 H C 0.157 175.713 175.328 0.380 0.000 1.042 513 H CA -0.743 55.501 56.048 0.327 0.000 1.276 513 H CB 1.775 31.660 29.762 0.204 0.000 1.681 513 H HN -0.163 nan 8.280 nan 0.000 0.521 514 L N 4.382 125.766 121.223 0.268 0.000 2.506 514 L HA 0.094 4.434 4.340 0.000 0.000 0.281 514 L C -1.435 175.444 176.870 0.015 0.000 1.228 514 L CA -0.874 53.966 54.840 0.000 0.000 0.850 514 L CB -0.454 41.483 42.059 -0.203 0.000 1.110 514 L HN 0.433 nan 8.230 nan 0.000 0.496 515 P HA 0.151 nan 4.420 nan 0.000 0.274 515 P C 0.142 177.392 177.300 -0.082 0.000 1.237 515 P CA -0.398 62.663 63.100 -0.066 0.000 0.793 515 P CB 0.895 32.500 31.700 -0.158 0.000 0.977 516 A N 1.716 124.512 122.820 -0.039 0.000 1.873 516 A HA -0.095 4.225 4.320 0.000 0.000 0.215 516 A C 1.050 178.595 177.584 -0.065 0.000 1.186 516 A CA 1.269 53.281 52.037 -0.041 0.000 0.616 516 A CB -0.650 18.338 19.000 -0.019 0.000 0.823 516 A HN 0.564 nan 8.150 nan 0.000 0.442 517 E N 0.683 120.838 120.200 -0.074 0.000 2.026 517 E HA 0.311 4.661 4.350 0.000 0.000 0.253 517 E C 0.577 177.095 176.600 -0.136 0.000 1.056 517 E CA -0.156 56.192 56.400 -0.087 0.000 0.927 517 E CB 0.580 30.240 29.700 -0.066 0.000 1.172 517 E HN 0.535 nan 8.360 nan 0.000 0.445 518 L N 0.296 121.428 121.223 -0.152 0.000 2.093 518 L HA -0.104 4.237 4.340 0.000 0.000 0.208 518 L C 2.205 178.934 176.870 -0.234 0.000 1.085 518 L CA 1.369 56.085 54.840 -0.206 0.000 0.755 518 L CB -0.273 41.684 42.059 -0.169 0.000 0.904 518 L HN 0.473 nan 8.230 nan 0.000 0.435 519 G N -0.287 108.406 108.800 -0.179 0.000 2.432 519 G HA2 -0.171 3.790 3.960 0.000 0.000 0.219 519 G HA3 -0.171 3.790 3.960 0.000 0.000 0.219 519 G C 1.573 176.372 174.900 -0.169 0.000 1.135 519 G CA 0.712 45.706 45.100 -0.178 0.000 0.767 519 G HN 0.482 nan 8.290 nan 0.000 0.550 520 G N 0.769 109.486 108.800 -0.139 0.000 2.402 520 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 520 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 520 G C 1.707 176.527 174.900 -0.135 0.000 1.162 520 G CA 0.943 45.977 45.100 -0.109 0.000 0.777 520 G HN 0.383 nan 8.290 nan 0.000 0.539 521 L N 0.888 121.993 121.223 -0.195 0.000 2.017 521 L HA 0.001 4.341 4.340 0.000 0.000 0.208 521 L C 2.899 179.602 176.870 -0.278 0.000 1.073 521 L CA 1.423 56.124 54.840 -0.231 0.000 0.745 521 L CB -0.545 41.306 42.059 -0.347 0.000 0.894 521 L HN 0.075 nan 8.230 nan 0.000 0.432 522 V N -0.075 119.587 119.914 -0.421 0.000 2.407 522 V HA -0.285 3.835 4.120 0.000 0.000 0.248 522 V C 2.254 178.167 176.094 -0.301 0.000 1.055 522 V CA 2.004 63.947 62.300 -0.595 0.000 1.049 522 V CB -0.778 30.578 31.823 -0.780 0.000 0.662 522 V HN 0.492 nan 8.190 nan 0.000 0.455 523 D N -0.342 119.949 120.400 -0.181 0.000 2.144 523 D HA -0.154 4.486 4.640 0.000 0.000 0.200 523 D C 2.140 178.434 176.300 -0.009 0.000 0.978 523 D CA 1.267 55.227 54.000 -0.067 0.000 0.833 523 D CB -0.025 40.745 40.800 -0.051 0.000 0.961 523 D HN 0.441 nan 8.370 nan 0.000 0.470 524 K N 1.166 121.554 120.400 -0.020 0.000 1.973 524 K HA -0.136 4.184 4.320 0.000 0.000 0.212 524 K C 2.156 178.817 176.600 0.102 0.000 1.047 524 K CA 1.666 57.976 56.287 0.039 0.000 0.937 524 K CB -0.143 32.378 32.500 0.035 0.000 0.721 524 K HN 0.054 nan 8.250 nan 0.000 0.440 525 V N 0.676 120.647 119.914 0.095 0.000 2.982 525 V HA -0.173 3.947 4.120 0.000 0.000 0.265 525 V C 1.916 178.256 176.094 0.411 0.000 1.122 525 V CA 1.957 64.401 62.300 0.240 0.000 1.143 525 V CB -1.099 30.825 31.823 0.168 0.000 0.726 525 V HN 0.443 nan 8.190 nan 0.000 0.507 526 R N 0.623 121.300 120.500 0.296 0.000 2.362 526 R HA 0.451 4.791 4.340 0.000 0.000 0.227 526 R C 1.437 177.903 176.300 0.278 0.000 0.905 526 R CA 0.615 56.980 56.100 0.442 0.000 1.067 526 R CB 0.078 30.638 30.300 0.433 0.000 1.078 526 R HN 0.758 nan 8.270 nan 0.000 0.516 527 G N 0.125 109.040 108.800 0.192 0.000 2.136 527 G HA2 -0.298 3.662 3.960 0.000 0.000 0.242 527 G HA3 -0.298 3.662 3.960 0.000 0.000 0.242 527 G C 0.515 175.461 174.900 0.077 0.000 0.989 527 G CA 0.073 45.241 45.100 0.112 0.000 0.682 527 G HN 0.557 nan 8.290 nan 0.000 0.522 528 A N -0.777 122.090 122.820 0.078 0.000 2.503 528 A HA 0.853 5.174 4.320 0.000 0.000 0.263 528 A C 1.593 179.199 177.584 0.038 0.000 1.258 528 A CA 1.254 53.323 52.037 0.053 0.000 0.936 528 A CB -0.089 18.945 19.000 0.057 0.000 1.070 528 A HN 2.130 nan 8.150 nan 0.000 0.522 529 A N 0.000 122.845 122.820 0.042 0.000 2.254 529 A HA 0.000 4.320 4.320 0.000 0.000 0.244 529 A CA 0.000 52.056 52.037 0.032 0.000 0.836 529 A CB 0.000 19.026 19.000 0.043 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486