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 3drb_1_A DATA FIRST_RESID 6 DATA SEQUENCE SHNALKLRFP AEDEFPDLSA HNNHMAKVLT PELYAELRAK STPSGFTLDD DATA SEQUENCE VIQTGVDNPG HPYIMTVGCV AGDEESYEVF KDLFDPIIED RHGGYKPSDE DATA SEQUENCE HKTDLNPDNL QGGDDLDPNY VLSSRVRTGR SIRGFCLPPH CSRGERRAIE DATA SEQUENCE KLAVEALSSL DGDLAGRYYA LKSMTEAEQQ QLIDDHFLFD KPVSPLLLAS DATA SEQUENCE GMARDWPDAR GIWHNDNKTF LVWVNEEDHL RVISMQKGGN MKEVFTRFCT DATA SEQUENCE GLTQIETLFK SKDYEFMWNP HLGYILTCPS NLGTGLRAGV HIKLPNLGKH DATA SEQUENCE EKFSEVLKRL RLQKRGTGGV DTAAVGGVFD VSNADRLGFS EVELVQMVVD DATA SEQUENCE GVKLLIEMEQ RLEQGQAIDD LMPAQK 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.679 174.600 0.131 0.000 1.055 6 S CA 0.000 58.256 58.200 0.094 0.000 1.107 6 S CB 0.000 63.256 63.200 0.094 0.000 0.593 7 H N 2.378 121.472 119.070 0.040 0.000 2.389 7 H HA 0.267 4.845 4.556 0.036 0.000 0.299 7 H C 1.797 177.146 175.328 0.036 0.000 1.081 7 H CA 2.343 58.413 56.048 0.037 0.000 1.345 7 H CB -0.508 29.272 29.762 0.029 0.000 1.393 7 H HN 0.514 nan 8.280 nan 0.000 0.520 8 N N -0.463 118.219 118.700 -0.030 0.000 2.223 8 N HA -0.144 4.618 4.740 0.036 0.000 0.185 8 N C 1.903 177.382 175.510 -0.052 0.000 1.016 8 N CA 0.753 53.745 53.050 -0.097 0.000 0.863 8 N CB -0.082 38.386 38.487 -0.032 0.000 0.983 8 N HN 0.454 nan 8.380 nan 0.000 0.429 9 A N 1.605 124.427 122.820 0.002 0.000 1.933 9 A HA -0.128 4.214 4.320 0.036 0.000 0.218 9 A C 2.197 179.801 177.584 0.033 0.000 1.175 9 A CA 0.782 52.832 52.037 0.021 0.000 0.628 9 A CB -0.699 18.323 19.000 0.037 0.000 0.814 9 A HN 0.433 nan 8.150 nan 0.000 0.444 10 L N -0.473 120.774 121.223 0.039 0.000 2.017 10 L HA -0.206 4.155 4.340 0.036 0.000 0.208 10 L C 2.403 179.357 176.870 0.140 0.000 1.073 10 L CA 2.094 56.989 54.840 0.091 0.000 0.745 10 L CB -0.316 41.819 42.059 0.128 0.000 0.894 10 L HN 0.317 nan 8.230 nan 0.000 0.432 11 K N -0.500 119.906 120.400 0.011 0.000 2.147 11 K HA -0.171 4.171 4.320 0.036 0.000 0.205 11 K C 1.895 178.578 176.600 0.139 0.000 1.049 11 K CA 0.969 57.279 56.287 0.039 0.000 0.936 11 K CB -0.206 32.208 32.500 -0.144 0.000 0.722 11 K HN 0.206 nan 8.250 nan 0.000 0.446 12 L N 1.084 122.348 121.223 0.068 0.000 2.362 12 L HA -0.109 4.253 4.340 0.036 0.000 0.219 12 L C 1.872 178.790 176.870 0.080 0.000 1.134 12 L CA 1.400 56.274 54.840 0.056 0.000 0.807 12 L CB -0.356 41.713 42.059 0.016 0.000 0.927 12 L HN 0.044 nan 8.230 nan 0.000 0.447 13 R N -1.631 118.933 120.500 0.106 0.000 2.276 13 R HA 0.077 4.439 4.340 0.036 0.000 0.203 13 R C 0.118 176.401 176.300 -0.029 0.000 1.017 13 R CA 0.130 56.241 56.100 0.017 0.000 1.010 13 R CB -0.390 29.887 30.300 -0.038 0.000 0.900 13 R HN 0.144 nan 8.270 nan 0.000 0.469 14 F N 1.188 121.140 119.950 0.002 0.000 2.379 14 F HA 0.342 4.891 4.527 0.036 0.000 0.332 14 F C -1.639 174.173 175.800 0.021 0.000 1.096 14 F CA -2.729 55.279 58.000 0.013 0.000 1.105 14 F CB 0.526 39.538 39.000 0.020 0.000 1.189 14 F HN -0.218 nan 8.300 nan 0.000 0.515 15 P HA 0.062 nan 4.420 nan 0.000 0.269 15 P C -0.040 177.358 177.300 0.164 0.000 1.209 15 P CA 0.202 63.379 63.100 0.127 0.000 0.776 15 P CB 0.782 32.538 31.700 0.092 0.000 0.876 16 A N 3.345 126.243 122.820 0.130 0.000 1.917 16 A HA -0.256 4.085 4.320 0.036 0.000 0.219 16 A C 1.834 179.554 177.584 0.227 0.000 1.182 16 A CA 2.087 54.242 52.037 0.197 0.000 0.633 16 A CB -1.225 17.861 19.000 0.142 0.000 0.819 16 A HN 0.753 nan 8.150 nan 0.000 0.448 17 E N -0.849 119.421 120.200 0.116 0.000 2.338 17 E HA -0.185 4.186 4.350 0.036 0.000 0.197 17 E C 0.606 177.277 176.600 0.119 0.000 1.007 17 E CA 1.170 57.619 56.400 0.082 0.000 0.849 17 E CB -0.269 29.437 29.700 0.009 0.000 0.774 17 E HN 0.476 nan 8.360 nan 0.000 0.506 18 D N 0.844 121.326 120.400 0.137 0.000 2.289 18 D HA -0.042 4.620 4.640 0.036 0.000 0.207 18 D C 1.457 177.778 176.300 0.035 0.000 0.966 18 D CA 0.608 54.678 54.000 0.117 0.000 0.868 18 D CB 0.197 41.138 40.800 0.235 0.000 0.943 18 D HN 0.201 nan 8.370 nan 0.000 0.514 19 E N -0.388 119.862 120.200 0.083 0.000 2.431 19 E HA 0.009 4.380 4.350 0.036 0.000 0.200 19 E C 0.227 176.782 176.600 -0.075 0.000 0.995 19 E CA -0.385 56.027 56.400 0.021 0.000 0.915 19 E CB 0.142 29.930 29.700 0.146 0.000 0.930 19 E HN 0.172 nan 8.360 nan 0.000 0.496 20 F N 4.881 124.675 119.950 -0.261 0.000 2.602 20 F HA 0.046 4.595 4.527 0.036 0.000 0.385 20 F C -1.723 173.807 175.800 -0.450 0.000 1.063 20 F CA -2.144 55.496 58.000 -0.600 0.000 1.233 20 F CB 0.395 39.197 39.000 -0.331 0.000 1.067 20 F HN -0.137 nan 8.300 nan 0.000 0.564 21 P HA 0.015 nan 4.420 nan 0.000 0.271 21 P C -1.099 175.740 177.300 -0.769 0.000 1.218 21 P CA -0.300 62.330 63.100 -0.783 0.000 0.780 21 P CB 0.785 32.036 31.700 -0.748 0.000 0.901 22 D N 2.440 122.574 120.400 -0.442 0.000 2.393 22 D HA 0.129 4.791 4.640 0.036 0.000 0.232 22 D C 0.253 176.317 176.300 -0.393 0.000 1.192 22 D CA -0.153 53.669 54.000 -0.297 0.000 0.882 22 D CB -0.341 40.371 40.800 -0.147 0.000 1.038 22 D HN 0.231 nan 8.370 nan 0.000 0.499 23 L N 2.990 123.955 121.223 -0.431 0.000 3.017 23 L HA 0.097 4.459 4.340 0.036 0.000 0.255 23 L C 2.060 178.863 176.870 -0.112 0.000 1.247 23 L CA -0.243 54.278 54.840 -0.532 0.000 1.038 23 L CB -0.050 41.675 42.059 -0.557 0.000 1.380 23 L HN 0.304 nan 8.230 nan 0.000 0.548 24 S N 0.670 116.349 115.700 -0.036 0.000 2.370 24 S HA -0.197 4.294 4.470 0.036 0.000 0.226 24 S C 1.655 176.283 174.600 0.048 0.000 1.033 24 S CA 1.143 59.352 58.200 0.014 0.000 1.011 24 S CB -0.134 63.071 63.200 0.009 0.000 0.852 24 S HN 0.417 nan 8.310 nan 0.000 0.457 25 A N 0.542 123.429 122.820 0.111 0.000 2.460 25 A HA 0.454 4.796 4.320 0.036 0.000 0.258 25 A C -0.162 177.420 177.584 -0.004 0.000 1.300 25 A CA -0.539 51.521 52.037 0.038 0.000 0.913 25 A CB -0.324 18.669 19.000 -0.013 0.000 1.031 25 A HN 0.548 nan 8.150 nan 0.000 0.512 26 H N 0.176 119.182 119.070 -0.106 0.000 2.482 26 H HA 0.420 4.998 4.556 0.036 0.000 0.344 26 H C -0.058 175.192 175.328 -0.130 0.000 1.151 26 H CA -0.578 55.395 56.048 -0.125 0.000 1.300 26 H CB 0.687 30.372 29.762 -0.128 0.000 1.494 26 H HN 0.196 nan 8.280 nan 0.000 0.542 27 N N 2.374 121.023 118.700 -0.084 0.000 2.672 27 N HA 0.066 4.828 4.740 0.036 0.000 0.295 27 N C -1.170 174.266 175.510 -0.123 0.000 1.924 27 N CA -0.297 52.679 53.050 -0.123 0.000 0.851 27 N CB 0.434 38.805 38.487 -0.193 0.000 1.281 27 N HN 0.737 nan 8.380 nan 0.000 0.494 28 N N -0.859 117.796 118.700 -0.075 0.000 2.405 28 N HA 0.282 5.043 4.740 0.036 0.000 0.285 28 N C 0.421 175.890 175.510 -0.068 0.000 1.262 28 N CA -0.518 52.491 53.050 -0.069 0.000 0.773 28 N CB 1.340 39.830 38.487 0.005 0.000 1.490 28 N HN -0.033 nan 8.380 nan 0.000 0.486 29 H N 0.205 119.287 119.070 0.019 0.000 2.353 29 H HA -0.117 4.461 4.556 0.036 0.000 0.298 29 H C 1.784 177.123 175.328 0.018 0.000 1.103 29 H CA 1.653 57.717 56.048 0.026 0.000 1.293 29 H CB 0.110 29.897 29.762 0.043 0.000 1.372 29 H HN 0.555 nan 8.280 nan 0.000 0.501 30 M N 0.952 120.626 119.600 0.124 0.000 2.080 30 M HA -0.126 4.376 4.480 0.036 0.000 0.260 30 M C 2.450 178.748 176.300 -0.004 0.000 1.068 30 M CA 1.765 57.086 55.300 0.035 0.000 1.109 30 M CB -0.762 31.835 32.600 -0.006 0.000 1.342 30 M HN 0.202 nan 8.290 nan 0.000 0.405 31 A N 0.335 123.143 122.820 -0.020 0.000 1.940 31 A HA -0.241 4.101 4.320 0.036 0.000 0.219 31 A C 2.260 179.836 177.584 -0.015 0.000 1.176 31 A CA 2.162 54.166 52.037 -0.055 0.000 0.631 31 A CB -0.811 18.168 19.000 -0.036 0.000 0.814 31 A HN 0.667 nan 8.150 nan 0.000 0.446 32 K N -0.055 120.348 120.400 0.004 0.000 2.097 32 K HA -0.120 4.222 4.320 0.036 0.000 0.206 32 K C 1.693 178.320 176.600 0.044 0.000 1.049 32 K CA 1.883 58.180 56.287 0.018 0.000 0.933 32 K CB -0.212 32.295 32.500 0.013 0.000 0.717 32 K HN 0.495 nan 8.250 nan 0.000 0.442 33 V N -1.091 118.857 119.914 0.056 0.000 3.471 33 V HA 0.149 4.291 4.120 0.036 0.000 0.258 33 V C 0.693 176.826 176.094 0.066 0.000 1.192 33 V CA -0.143 62.195 62.300 0.064 0.000 1.116 33 V CB -0.070 31.797 31.823 0.073 0.000 0.792 33 V HN 0.101 nan 8.190 nan 0.000 0.459 34 L N 4.317 125.578 121.223 0.062 0.000 2.448 34 L HA 0.418 4.780 4.340 0.036 0.000 0.278 34 L C 0.698 177.702 176.870 0.223 0.000 1.201 34 L CA 0.668 55.577 54.840 0.114 0.000 1.036 34 L CB -0.336 41.751 42.059 0.046 0.000 1.325 34 L HN 0.610 nan 8.230 nan 0.000 0.441 35 T N 1.531 116.190 114.554 0.174 0.000 2.874 35 T HA 0.402 4.774 4.350 0.036 0.000 0.281 35 T C -1.699 173.011 174.700 0.017 0.000 0.994 35 T CA -1.672 60.497 62.100 0.116 0.000 1.015 35 T CB 1.026 69.915 68.868 0.035 0.000 1.028 35 T HN 0.278 nan 8.240 nan 0.000 0.523 36 P HA -0.071 nan 4.420 nan 0.000 0.216 36 P C 1.194 178.358 177.300 -0.227 0.000 1.150 36 P CA 1.000 63.661 63.100 -0.731 0.000 0.837 36 P CB 0.077 31.364 31.700 -0.687 0.000 0.786 37 E N -0.818 119.314 120.200 -0.112 0.000 2.047 37 E HA -0.138 4.234 4.350 0.036 0.000 0.191 37 E C 1.841 178.450 176.600 0.015 0.000 0.987 37 E CA 0.767 57.142 56.400 -0.040 0.000 0.799 37 E CB -1.353 28.329 29.700 -0.030 0.000 0.752 37 E HN 0.107 nan 8.360 nan 0.000 0.449 38 L N -0.206 121.048 121.223 0.052 0.000 2.083 38 L HA -0.160 4.201 4.340 0.036 0.000 0.209 38 L C 2.137 179.073 176.870 0.109 0.000 1.083 38 L CA 1.620 56.507 54.840 0.078 0.000 0.752 38 L CB -0.558 41.556 42.059 0.092 0.000 0.899 38 L HN 0.182 nan 8.230 nan 0.000 0.433 39 Y N 0.124 120.461 120.300 0.062 0.000 2.145 39 Y HA -0.213 4.358 4.550 0.036 0.000 0.286 39 Y C 2.393 178.324 175.900 0.051 0.000 1.145 39 Y CA 1.741 59.899 58.100 0.097 0.000 1.148 39 Y CB -0.592 38.041 38.460 0.288 0.000 0.981 39 Y HN 0.244 nan 8.280 nan 0.000 0.507 40 A N 0.084 122.916 122.820 0.021 0.000 1.969 40 A HA -0.171 4.170 4.320 0.036 0.000 0.218 40 A C 2.028 179.564 177.584 -0.080 0.000 1.169 40 A CA 1.800 53.803 52.037 -0.056 0.000 0.635 40 A CB -0.600 18.397 19.000 -0.005 0.000 0.810 40 A HN 0.654 nan 8.150 nan 0.000 0.445 41 E N -0.965 119.210 120.200 -0.042 0.000 2.152 41 E HA -0.069 4.302 4.350 0.036 0.000 0.192 41 E C 1.091 177.674 176.600 -0.027 0.000 0.983 41 E CA 0.825 57.210 56.400 -0.026 0.000 0.818 41 E CB -0.060 29.640 29.700 0.001 0.000 0.758 41 E HN 0.443 nan 8.360 nan 0.000 0.467 42 L N 0.381 121.579 121.223 -0.042 0.000 2.638 42 L HA 0.086 4.448 4.340 0.036 0.000 0.232 42 L C 2.073 178.922 176.870 -0.035 0.000 1.099 42 L CA 0.549 55.402 54.840 0.023 0.000 0.883 42 L CB -0.022 42.113 42.059 0.128 0.000 1.136 42 L HN 0.012 nan 8.230 nan 0.000 0.492 43 R N 0.072 120.411 120.500 -0.268 0.000 2.241 43 R HA -0.033 4.329 4.340 0.036 0.000 0.224 43 R C 1.652 177.862 176.300 -0.149 0.000 1.101 43 R CA 1.328 57.213 56.100 -0.358 0.000 0.995 43 R CB -0.516 29.357 30.300 -0.712 0.000 0.870 43 R HN 0.180 nan 8.270 nan 0.000 0.463 44 A N 1.062 123.835 122.820 -0.078 0.000 2.178 44 A HA 0.123 4.464 4.320 0.036 0.000 0.211 44 A C 0.289 177.883 177.584 0.017 0.000 1.157 44 A CA 0.009 52.028 52.037 -0.030 0.000 0.780 44 A CB 0.067 19.049 19.000 -0.029 0.000 0.828 44 A HN 0.249 nan 8.150 nan 0.000 0.476 45 K N 0.504 120.944 120.400 0.065 0.000 2.102 45 K HA 0.510 4.852 4.320 0.036 0.000 0.244 45 K C -0.220 176.481 176.600 0.168 0.000 1.021 45 K CA 0.281 56.612 56.287 0.072 0.000 0.913 45 K CB 0.889 33.387 32.500 -0.003 0.000 1.062 45 K HN 0.378 nan 8.250 nan 0.000 0.485 46 S N -1.267 114.488 115.700 0.091 0.000 2.552 46 S HA 0.238 4.730 4.470 0.036 0.000 0.272 46 S C -0.426 174.222 174.600 0.081 0.000 1.150 46 S CA -1.096 57.209 58.200 0.175 0.000 0.849 46 S CB 1.103 64.387 63.200 0.139 0.000 1.113 46 S HN 0.688 nan 8.310 nan 0.000 0.458 47 T N -1.209 113.442 114.554 0.162 0.000 2.788 47 T HA 0.557 4.929 4.350 0.036 0.000 0.280 47 T C -1.961 172.810 174.700 0.119 0.000 0.984 47 T CA -1.463 60.705 62.100 0.113 0.000 0.972 47 T CB -0.131 68.847 68.868 0.184 0.000 1.039 47 T HN 0.346 nan 8.240 nan 0.000 0.530 48 P HA -0.052 nan 4.420 nan 0.000 0.219 48 P C 1.558 178.933 177.300 0.125 0.000 1.146 48 P CA 1.107 64.260 63.100 0.087 0.000 0.808 48 P CB -0.082 31.655 31.700 0.061 0.000 0.779 49 S N -2.336 113.473 115.700 0.181 0.000 2.593 49 S HA 0.275 4.766 4.470 0.036 0.000 0.217 49 S C 1.577 176.397 174.600 0.366 0.000 0.966 49 S CA 0.458 58.811 58.200 0.255 0.000 0.914 49 S CB -0.932 62.460 63.200 0.319 0.000 0.776 49 S HN 0.265 nan 8.310 nan 0.000 0.523 50 G N 0.364 109.336 108.800 0.286 0.000 2.141 50 G HA2 -0.242 3.740 3.960 0.036 0.000 0.231 50 G HA3 -0.242 3.740 3.960 0.036 0.000 0.231 50 G C -0.233 174.815 174.900 0.247 0.000 0.984 50 G CA -0.182 45.075 45.100 0.261 0.000 0.660 50 G HN 0.495 nan 8.290 nan 0.000 0.525 51 F N 3.319 123.282 119.950 0.022 0.000 2.504 51 F HA 0.539 5.088 4.527 0.037 0.000 0.369 51 F C 1.316 177.183 175.800 0.111 0.000 1.082 51 F CA 0.609 58.538 58.000 -0.119 0.000 1.216 51 F CB 0.885 39.777 39.000 -0.180 0.000 1.108 51 F HN 0.296 nan 8.300 nan 0.000 0.554 52 T N 2.970 117.343 114.554 -0.302 0.000 2.938 52 T HA 0.300 4.671 4.350 0.036 0.000 0.285 52 T C 0.824 175.134 174.700 -0.650 0.000 1.028 52 T CA -0.840 61.148 62.100 -0.187 0.000 1.005 52 T CB 1.220 69.995 68.868 -0.154 0.000 1.157 52 T HN 0.562 nan 8.240 nan 0.000 0.550 53 L N 0.571 121.380 121.223 -0.690 0.000 2.046 53 L HA 0.014 4.375 4.340 0.036 0.000 0.208 53 L C 1.930 178.504 176.870 -0.494 0.000 1.077 53 L CA 2.002 56.324 54.840 -0.865 0.000 0.747 53 L CB -1.116 40.632 42.059 -0.519 0.000 0.896 53 L HN 0.705 nan 8.230 nan 0.000 0.432 54 D N -0.219 119.989 120.400 -0.320 0.000 2.144 54 D HA -0.179 4.483 4.640 0.036 0.000 0.199 54 D C 1.771 177.886 176.300 -0.309 0.000 0.984 54 D CA 1.369 55.244 54.000 -0.208 0.000 0.834 54 D CB -0.144 40.578 40.800 -0.131 0.000 0.955 54 D HN 0.455 nan 8.370 nan 0.000 0.465 55 D N -0.019 120.072 120.400 -0.515 0.000 2.117 55 D HA -0.084 4.577 4.640 0.036 0.000 0.198 55 D C 2.301 178.262 176.300 -0.565 0.000 0.982 55 D CA 0.361 53.941 54.000 -0.701 0.000 0.828 55 D CB -0.135 39.743 40.800 -1.537 0.000 0.967 55 D HN 0.076 nan 8.370 nan 0.000 0.464 56 V N 2.155 121.718 119.914 -0.585 0.000 2.343 56 V HA -0.202 3.940 4.120 0.036 0.000 0.247 56 V C 2.416 178.435 176.094 -0.126 0.000 1.051 56 V CA 1.506 63.695 62.300 -0.184 0.000 1.036 56 V CB -0.448 31.157 31.823 -0.362 0.000 0.654 56 V HN 0.304 nan 8.190 nan 0.000 0.451 57 I N -2.322 118.125 120.570 -0.205 0.000 3.793 57 I HA 0.051 4.243 4.170 0.036 0.000 0.315 57 I C 2.184 178.237 176.117 -0.107 0.000 1.275 57 I CA 0.630 61.844 61.300 -0.144 0.000 1.214 57 I CB -0.251 37.646 38.000 -0.171 0.000 1.018 57 I HN 0.207 nan 8.210 nan 0.000 0.439 58 Q N 1.833 121.572 119.800 -0.103 0.000 2.096 58 Q HA -0.257 4.105 4.340 0.036 0.000 0.208 58 Q C 2.334 178.315 176.000 -0.033 0.000 0.993 58 Q CA 3.160 58.920 55.803 -0.073 0.000 0.862 58 Q CB -0.804 27.899 28.738 -0.057 0.000 0.915 58 Q HN 0.556 nan 8.270 nan 0.000 0.416 59 T N -1.527 113.027 114.554 0.001 0.000 2.833 59 T HA -0.095 4.277 4.350 0.036 0.000 0.269 59 T C 1.528 176.238 174.700 0.016 0.000 1.054 59 T CA 1.499 63.611 62.100 0.019 0.000 1.135 59 T CB -0.626 68.270 68.868 0.047 0.000 0.869 59 T HN 0.537 nan 8.240 nan 0.000 0.466 60 G N 0.011 108.815 108.800 0.007 0.000 2.484 60 G HA2 -0.034 3.948 3.960 0.036 0.000 0.218 60 G HA3 -0.034 3.948 3.960 0.036 0.000 0.218 60 G C 1.590 176.513 174.900 0.038 0.000 1.130 60 G CA 0.810 45.923 45.100 0.020 0.000 0.784 60 G HN 0.505 nan 8.290 nan 0.000 0.543 61 V N 0.967 120.863 119.914 -0.030 0.000 2.446 61 V HA -0.053 4.088 4.120 0.036 0.000 0.244 61 V C 2.381 178.536 176.094 0.101 0.000 1.039 61 V CA 1.800 64.061 62.300 -0.064 0.000 1.045 61 V CB -0.188 31.537 31.823 -0.162 0.000 0.681 61 V HN 0.194 nan 8.190 nan 0.000 0.459 62 D N 0.247 120.666 120.400 0.032 0.000 2.178 62 D HA -0.043 4.618 4.640 0.036 0.000 0.202 62 D C 0.714 177.011 176.300 -0.004 0.000 0.974 62 D CA 0.914 54.925 54.000 0.018 0.000 0.841 62 D CB -0.142 40.657 40.800 -0.002 0.000 0.953 62 D HN 0.392 nan 8.370 nan 0.000 0.478 63 N N 0.655 119.348 118.700 -0.011 0.000 2.564 63 N HA 0.161 4.923 4.740 0.036 0.000 0.248 63 N C -2.126 173.279 175.510 -0.174 0.000 0.986 63 N CA -1.163 51.834 53.050 -0.089 0.000 0.921 63 N CB 2.187 40.644 38.487 -0.050 0.000 1.136 63 N HN -0.093 nan 8.380 nan 0.000 0.509 64 P HA -0.074 nan 4.420 nan 0.000 0.221 64 P C 0.941 177.986 177.300 -0.425 0.000 1.145 64 P CA 0.967 63.639 63.100 -0.713 0.000 0.795 64 P CB 0.347 31.576 31.700 -0.786 0.000 0.775 65 G N -0.617 107.917 108.800 -0.443 0.000 2.598 65 G HA2 -0.177 3.805 3.960 0.036 0.000 0.244 65 G HA3 -0.177 3.805 3.960 0.036 0.000 0.244 65 G C -1.057 173.342 174.900 -0.834 0.000 1.302 65 G CA -0.337 44.449 45.100 -0.524 0.000 0.903 65 G HN 0.406 nan 8.290 nan 0.000 0.575 66 H N -0.453 118.524 119.070 -0.156 0.000 2.894 66 H HA 0.532 5.110 4.556 0.036 0.000 0.367 66 H C -1.902 173.104 175.328 -0.536 0.000 1.144 66 H CA -1.178 54.674 56.048 -0.328 0.000 1.180 66 H CB 1.523 31.229 29.762 -0.093 0.000 1.758 66 H HN 0.290 nan 8.280 nan 0.000 0.541 67 P HA -0.253 nan 4.420 nan 0.000 0.214 67 P C 0.848 177.900 177.300 -0.413 0.000 1.169 67 P CA 1.861 64.633 63.100 -0.547 0.000 0.908 67 P CB -0.006 31.354 31.700 -0.567 0.000 0.791 68 Y N -1.182 119.139 120.300 0.036 0.000 2.128 68 Y HA 0.009 4.581 4.550 0.036 0.000 0.284 68 Y C 1.402 177.310 175.900 0.013 0.000 1.154 68 Y CA 0.102 58.210 58.100 0.014 0.000 1.149 68 Y CB -1.462 36.997 38.460 -0.001 0.000 0.976 68 Y HN -0.081 nan 8.280 nan 0.000 0.505 69 I N 1.030 121.715 120.570 0.191 0.000 2.390 69 I HA 0.306 4.497 4.170 0.036 0.000 0.283 69 I C -0.708 175.479 176.117 0.117 0.000 1.016 69 I CA -2.107 59.279 61.300 0.144 0.000 1.151 69 I CB 0.926 39.007 38.000 0.135 0.000 1.293 69 I HN 0.201 nan 8.210 nan 0.000 0.458 70 M N 7.810 127.425 119.600 0.026 0.000 2.180 70 M HA 0.401 4.903 4.480 0.036 0.000 0.358 70 M C -0.073 176.252 176.300 0.042 0.000 1.233 70 M CA -0.053 55.219 55.300 -0.047 0.000 1.114 70 M CB 0.606 33.068 32.600 -0.231 0.000 1.594 70 M HN 0.780 nan 8.290 nan 0.000 0.467 71 T N 1.419 116.008 114.554 0.058 0.000 2.862 71 T HA 0.376 4.748 4.350 0.036 0.000 0.276 71 T C 1.010 175.826 174.700 0.193 0.000 0.974 71 T CA -1.122 61.050 62.100 0.121 0.000 0.966 71 T CB 1.118 70.037 68.868 0.086 0.000 1.072 71 T HN 0.525 nan 8.240 nan 0.000 0.538 72 V N 0.763 120.797 119.914 0.200 0.000 2.323 72 V HA 0.198 4.339 4.120 0.036 0.000 0.244 72 V C 2.433 178.630 176.094 0.171 0.000 1.041 72 V CA 1.762 64.195 62.300 0.222 0.000 1.025 72 V CB -1.738 30.176 31.823 0.151 0.000 0.656 72 V HN 1.419 nan 8.190 nan 0.000 0.451 73 G N 0.082 108.952 108.800 0.116 0.000 2.143 73 G HA2 -0.268 3.714 3.960 0.036 0.000 0.249 73 G HA3 -0.268 3.714 3.960 0.036 0.000 0.249 73 G C 0.145 175.081 174.900 0.061 0.000 0.981 73 G CA 0.391 45.537 45.100 0.076 0.000 0.665 73 G HN 1.283 nan 8.290 nan 0.000 0.528 74 C N -2.205 117.158 119.300 0.104 0.000 3.312 74 C HA 0.929 5.410 4.460 0.036 0.000 0.332 74 C C -0.142 174.977 174.990 0.215 0.000 1.340 74 C CA -0.473 58.614 59.018 0.114 0.000 1.265 74 C CB 1.653 29.418 27.740 0.042 0.000 1.563 74 C HN 1.895 nan 8.230 nan 0.000 0.471 75 V N -1.610 118.458 119.914 0.257 0.000 3.114 75 V HA 0.999 5.141 4.120 0.036 0.000 0.308 75 V C -0.100 176.165 176.094 0.285 0.000 1.168 75 V CA -0.096 62.353 62.300 0.248 0.000 1.015 75 V CB 1.199 33.130 31.823 0.181 0.000 1.050 75 V HN 2.335 nan 8.190 nan 0.000 0.433 76 A N 1.268 124.084 122.820 -0.005 0.000 2.306 76 A HA 0.795 5.137 4.320 0.036 0.000 0.314 76 A C 1.026 178.401 177.584 -0.349 0.000 1.164 76 A CA 0.047 51.933 52.037 -0.251 0.000 0.822 76 A CB 1.158 19.696 19.000 -0.770 0.000 1.130 76 A HN 1.958 nan 8.150 nan 0.000 0.496 77 G N 0.642 108.933 108.800 -0.849 0.000 2.887 77 G HA2 0.401 4.383 3.960 0.036 0.000 0.211 77 G HA3 0.401 4.383 3.960 0.036 0.000 0.211 77 G C -0.062 174.505 174.900 -0.555 0.000 1.152 77 G CA 0.822 45.083 45.100 -1.397 0.000 0.769 77 G HN 0.889 nan 8.290 nan 0.000 0.541 78 D N -2.563 117.648 120.400 -0.315 0.000 2.713 78 D HA 0.099 4.761 4.640 0.036 0.000 0.306 78 D C 0.629 176.925 176.300 -0.007 0.000 1.299 78 D CA -0.677 53.285 54.000 -0.063 0.000 0.823 78 D CB 0.525 41.339 40.800 0.024 0.000 1.353 78 D HN -0.081 nan 8.370 nan 0.000 0.447 79 E N -0.619 119.624 120.200 0.071 0.000 2.106 79 E HA -0.188 4.184 4.350 0.036 0.000 0.192 79 E C 0.868 177.537 176.600 0.116 0.000 0.984 79 E CA 1.257 57.727 56.400 0.117 0.000 0.806 79 E CB 0.107 29.878 29.700 0.119 0.000 0.750 79 E HN 0.440 nan 8.360 nan 0.000 0.458 80 E N 0.059 120.308 120.200 0.082 0.000 2.268 80 E HA -0.081 4.290 4.350 0.036 0.000 0.195 80 E C 1.967 178.615 176.600 0.081 0.000 0.995 80 E CA 0.797 57.241 56.400 0.073 0.000 0.836 80 E CB 0.001 29.733 29.700 0.054 0.000 0.763 80 E HN 0.087 nan 8.360 nan 0.000 0.491 81 S N 0.110 115.864 115.700 0.090 0.000 2.374 81 S HA -0.204 4.287 4.470 0.036 0.000 0.227 81 S C 1.419 176.148 174.600 0.214 0.000 1.037 81 S CA 1.189 59.522 58.200 0.222 0.000 1.024 81 S CB -0.394 62.878 63.200 0.120 0.000 0.861 81 S HN 0.359 nan 8.310 nan 0.000 0.456 82 Y N 1.288 121.615 120.300 0.046 0.000 2.333 82 Y HA -0.070 4.502 4.550 0.037 0.000 0.290 82 Y C 2.463 178.448 175.900 0.142 0.000 1.144 82 Y CA 1.191 59.273 58.100 -0.030 0.000 1.228 82 Y CB -0.278 38.068 38.460 -0.191 0.000 0.985 82 Y HN 0.287 nan 8.280 nan 0.000 0.542 83 E N -0.372 119.953 120.200 0.208 0.000 2.045 83 E HA -0.074 4.298 4.350 0.036 0.000 0.190 83 E C 2.177 178.796 176.600 0.032 0.000 0.968 83 E CA 1.072 57.540 56.400 0.114 0.000 0.813 83 E CB -0.496 29.240 29.700 0.059 0.000 0.780 83 E HN 0.069 nan 8.360 nan 0.000 0.455 84 V N 0.296 120.152 119.914 -0.097 0.000 2.332 84 V HA -0.205 3.937 4.120 0.036 0.000 0.248 84 V C 1.121 176.917 176.094 -0.496 0.000 1.055 84 V CA 1.684 63.747 62.300 -0.394 0.000 1.038 84 V CB -0.517 30.882 31.823 -0.706 0.000 0.651 84 V HN 0.267 nan 8.190 nan 0.000 0.450 85 F N 0.647 120.714 119.950 0.195 0.000 2.925 85 F HA 0.255 4.803 4.527 0.036 0.000 0.302 85 F C 1.733 177.671 175.800 0.231 0.000 1.189 85 F CA -0.725 57.361 58.000 0.142 0.000 1.346 85 F CB -0.582 38.446 39.000 0.047 0.000 0.954 85 F HN 0.166 nan 8.300 nan 0.000 0.506 86 K N -0.658 119.937 120.400 0.326 0.000 2.152 86 K HA -0.175 4.167 4.320 0.036 0.000 0.206 86 K C 0.667 177.414 176.600 0.244 0.000 1.048 86 K CA 1.839 58.326 56.287 0.334 0.000 0.933 86 K CB -0.184 32.441 32.500 0.209 0.000 0.721 86 K HN 0.102 nan 8.250 nan 0.000 0.447 87 D N 0.862 121.362 120.400 0.168 0.000 2.310 87 D HA -0.091 4.571 4.640 0.036 0.000 0.212 87 D C 1.714 178.075 176.300 0.103 0.000 0.965 87 D CA 0.662 54.733 54.000 0.119 0.000 0.879 87 D CB 0.140 40.993 40.800 0.088 0.000 0.921 87 D HN 0.240 nan 8.370 nan 0.000 0.510 88 L N -1.053 120.217 121.223 0.079 0.000 2.265 88 L HA 0.097 4.459 4.340 0.036 0.000 0.195 88 L C 1.817 178.686 176.870 -0.002 0.000 1.083 88 L CA 0.939 55.752 54.840 -0.046 0.000 0.798 88 L CB -0.452 41.450 42.059 -0.260 0.000 0.989 88 L HN -0.232 nan 8.230 nan 0.000 0.472 89 F N 0.813 120.876 119.950 0.189 0.000 2.134 89 F HA -0.192 4.357 4.527 0.037 0.000 0.299 89 F C 2.287 178.212 175.800 0.209 0.000 1.097 89 F CA 1.476 59.609 58.000 0.221 0.000 1.264 89 F CB -0.995 38.203 39.000 0.329 0.000 1.001 89 F HN 0.176 nan 8.300 nan 0.000 0.479 90 D N 0.119 120.747 120.400 0.379 0.000 2.106 90 D HA -0.161 4.501 4.640 0.036 0.000 0.191 90 D C -0.337 176.097 176.300 0.223 0.000 0.997 90 D CA 1.669 55.841 54.000 0.286 0.000 0.834 90 D CB -1.851 39.079 40.800 0.217 0.000 0.956 90 D HN 0.197 nan 8.370 nan 0.000 0.448 91 P HA -0.026 nan 4.420 nan 0.000 0.216 91 P C 1.789 179.178 177.300 0.149 0.000 1.153 91 P CA 0.687 63.873 63.100 0.143 0.000 0.848 91 P CB 0.067 31.837 31.700 0.117 0.000 0.787 92 I N -1.191 119.475 120.570 0.160 0.000 2.179 92 I HA -0.233 3.959 4.170 0.036 0.000 0.242 92 I C 2.231 178.382 176.117 0.057 0.000 1.088 92 I CA 1.487 62.855 61.300 0.114 0.000 1.357 92 I CB -0.502 37.596 38.000 0.163 0.000 1.051 92 I HN -0.120 nan 8.210 nan 0.000 0.409 93 I N 0.379 121.062 120.570 0.188 0.000 2.226 93 I HA -0.294 3.898 4.170 0.036 0.000 0.245 93 I C 2.608 178.873 176.117 0.247 0.000 1.100 93 I CA 1.393 62.840 61.300 0.246 0.000 1.374 93 I CB -0.340 37.831 38.000 0.286 0.000 1.057 93 I HN 0.285 nan 8.210 nan 0.000 0.413 94 E N 0.765 121.095 120.200 0.216 0.000 2.051 94 E HA -0.285 4.086 4.350 0.036 0.000 0.192 94 E C 1.864 178.552 176.600 0.147 0.000 0.991 94 E CA 1.479 57.999 56.400 0.201 0.000 0.799 94 E CB 0.021 29.813 29.700 0.153 0.000 0.748 94 E HN 0.362 nan 8.360 nan 0.000 0.449 95 D N -0.114 120.349 120.400 0.105 0.000 2.097 95 D HA -0.163 4.499 4.640 0.036 0.000 0.197 95 D C 2.170 178.487 176.300 0.028 0.000 0.984 95 D CA 0.878 54.942 54.000 0.106 0.000 0.826 95 D CB 0.018 40.935 40.800 0.196 0.000 0.973 95 D HN -0.020 nan 8.370 nan 0.000 0.460 96 R N 0.218 120.592 120.500 -0.210 0.000 2.092 96 R HA -0.072 4.290 4.340 0.036 0.000 0.231 96 R C 1.133 177.223 176.300 -0.351 0.000 1.119 96 R CA 1.323 57.180 56.100 -0.406 0.000 0.970 96 R CB -0.468 29.427 30.300 -0.674 0.000 0.864 96 R HN 0.247 nan 8.270 nan 0.000 0.440 97 H N -0.528 118.554 119.070 0.021 0.000 2.591 97 H HA 0.274 4.851 4.556 0.036 0.000 0.302 97 H C 0.158 175.563 175.328 0.129 0.000 1.163 97 H CA 0.283 56.367 56.048 0.061 0.000 1.049 97 H CB -0.109 29.663 29.762 0.017 0.000 1.543 97 H HN 0.444 nan 8.280 nan 0.000 0.523 98 G N 0.976 109.875 108.800 0.165 0.000 2.386 98 G HA2 -0.223 3.759 3.960 0.036 0.000 0.295 98 G HA3 -0.223 3.759 3.960 0.036 0.000 0.295 98 G C 1.163 176.166 174.900 0.172 0.000 0.979 98 G CA 0.702 45.897 45.100 0.158 0.000 1.193 98 G HN 0.904 nan 8.290 nan 0.000 0.508 99 G N -1.480 107.419 108.800 0.165 0.000 2.132 99 G HA2 -0.181 3.801 3.960 0.036 0.000 0.234 99 G HA3 -0.181 3.801 3.960 0.036 0.000 0.234 99 G C 0.335 175.327 174.900 0.154 0.000 0.989 99 G CA 0.556 45.739 45.100 0.137 0.000 0.676 99 G HN 1.885 nan 8.290 nan 0.000 0.522 100 Y N 2.682 123.042 120.300 0.101 0.000 2.587 100 Y HA 0.441 5.013 4.550 0.036 0.000 0.344 100 Y C 0.902 176.859 175.900 0.095 0.000 1.061 100 Y CA -0.305 57.842 58.100 0.079 0.000 1.370 100 Y CB 0.432 38.930 38.460 0.064 0.000 1.163 100 Y HN 0.080 nan 8.280 nan 0.000 0.527 101 K N 7.582 127.821 120.400 -0.268 0.000 2.202 101 K HA 0.147 4.489 4.320 0.036 0.000 0.264 101 K C -1.766 174.775 176.600 -0.098 0.000 1.010 101 K CA -1.787 54.416 56.287 -0.141 0.000 0.940 101 K CB 0.603 33.021 32.500 -0.137 0.000 0.983 101 K HN 0.400 nan 8.250 nan 0.000 0.475 102 P HA -0.155 nan 4.420 nan 0.000 0.219 102 P C 0.899 178.006 177.300 -0.322 0.000 1.146 102 P CA 1.348 64.417 63.100 -0.053 0.000 0.808 102 P CB 0.238 31.914 31.700 -0.041 0.000 0.779 103 S N -3.186 112.391 115.700 -0.205 0.000 2.548 103 S HA 0.061 4.552 4.470 0.036 0.000 0.215 103 S C 0.678 175.183 174.600 -0.159 0.000 0.976 103 S CA -0.266 57.812 58.200 -0.203 0.000 0.908 103 S CB -0.644 62.477 63.200 -0.132 0.000 0.781 103 S HN -0.020 nan 8.310 nan 0.000 0.519 104 D N 2.484 122.755 120.400 -0.215 0.000 2.368 104 D HA 0.236 4.898 4.640 0.036 0.000 0.240 104 D C -0.026 176.287 176.300 0.022 0.000 1.169 104 D CA 0.271 54.101 54.000 -0.283 0.000 0.906 104 D CB 0.564 40.816 40.800 -0.914 0.000 1.187 104 D HN 0.508 nan 8.370 nan 0.000 0.435 105 E N 0.224 120.459 120.200 0.060 0.000 2.195 105 E HA 0.217 4.588 4.350 0.036 0.000 0.271 105 E C -1.276 175.456 176.600 0.219 0.000 0.923 105 E CA -0.742 55.748 56.400 0.149 0.000 0.790 105 E CB 1.109 30.846 29.700 0.063 0.000 1.155 105 E HN 0.398 nan 8.360 nan 0.000 0.402 106 H N 3.217 122.338 119.070 0.085 0.000 2.476 106 H HA 0.313 4.890 4.556 0.036 0.000 0.328 106 H C -1.043 174.319 175.328 0.056 0.000 1.073 106 H CA -0.675 55.383 56.048 0.016 0.000 1.229 106 H CB 0.720 30.382 29.762 -0.167 0.000 1.432 106 H HN 0.140 nan 8.280 nan 0.000 0.477 107 K N 4.341 124.458 120.400 -0.472 0.000 2.213 107 K HA 0.256 4.597 4.320 0.036 0.000 0.270 107 K C -0.550 175.903 176.600 -0.244 0.000 1.002 107 K CA -0.566 55.598 56.287 -0.205 0.000 0.868 107 K CB 1.581 34.014 32.500 -0.112 0.000 1.093 107 K HN 0.658 nan 8.250 nan 0.000 0.454 108 T N 2.012 116.619 114.554 0.089 0.000 2.799 108 T HA 0.184 4.555 4.350 0.036 0.000 0.286 108 T C -0.626 174.164 174.700 0.149 0.000 0.973 108 T CA -0.350 61.874 62.100 0.207 0.000 1.035 108 T CB 0.735 69.789 68.868 0.309 0.000 0.932 108 T HN 0.320 nan 8.240 nan 0.000 0.469 109 D N 3.317 123.834 120.400 0.194 0.000 2.336 109 D HA 0.233 4.894 4.640 0.036 0.000 0.248 109 D C -0.314 176.147 176.300 0.269 0.000 1.326 109 D CA -0.441 53.669 54.000 0.182 0.000 0.973 109 D CB 0.617 41.508 40.800 0.151 0.000 1.255 109 D HN 0.367 nan 8.370 nan 0.000 0.558 110 L N 3.022 124.369 121.223 0.207 0.000 3.034 110 L HA 0.301 4.662 4.340 0.036 0.000 0.245 110 L C 0.422 177.330 176.870 0.064 0.000 1.295 110 L CA -0.306 54.637 54.840 0.171 0.000 1.068 110 L CB -0.066 42.058 42.059 0.109 0.000 1.426 110 L HN 0.139 nan 8.230 nan 0.000 0.531 111 N N 0.896 119.678 118.700 0.137 0.000 2.546 111 N HA 0.252 5.013 4.740 0.036 0.000 0.238 111 N C -1.927 173.691 175.510 0.180 0.000 0.984 111 N CA -2.090 51.017 53.050 0.095 0.000 0.935 111 N CB 1.827 40.366 38.487 0.085 0.000 1.122 111 N HN -0.142 nan 8.380 nan 0.000 0.510 112 P HA -0.085 nan 4.420 nan 0.000 0.219 112 P C 0.434 177.853 177.300 0.198 0.000 1.146 112 P CA 0.990 64.227 63.100 0.227 0.000 0.808 112 P CB 0.422 32.156 31.700 0.057 0.000 0.779 113 D N -1.097 119.374 120.400 0.117 0.000 2.263 113 D HA -0.116 4.545 4.640 0.036 0.000 0.208 113 D C 1.300 177.655 176.300 0.092 0.000 0.971 113 D CA 0.938 54.990 54.000 0.087 0.000 0.867 113 D CB -0.743 40.091 40.800 0.057 0.000 0.929 113 D HN 0.387 nan 8.370 nan 0.000 0.492 114 N N -0.041 118.729 118.700 0.117 0.000 2.494 114 N HA -0.030 4.732 4.740 0.036 0.000 0.182 114 N C 0.427 175.987 175.510 0.084 0.000 1.076 114 N CA -0.325 52.782 53.050 0.096 0.000 0.908 114 N CB 0.333 38.883 38.487 0.105 0.000 0.967 114 N HN 0.045 nan 8.380 nan 0.000 0.449 115 L N 2.187 123.474 121.223 0.107 0.000 2.313 115 L HA 0.098 4.460 4.340 0.036 0.000 0.282 115 L C -0.517 176.378 176.870 0.042 0.000 1.092 115 L CA -0.115 54.757 54.840 0.052 0.000 0.831 115 L CB 0.722 42.820 42.059 0.064 0.000 1.159 115 L HN -0.034 nan 8.230 nan 0.000 0.442 116 Q N 4.957 124.768 119.800 0.018 0.000 2.314 116 Q HA 0.485 4.847 4.340 0.036 0.000 0.257 116 Q C 0.727 176.734 176.000 0.012 0.000 0.975 116 Q CA 0.572 56.386 55.803 0.018 0.000 0.933 116 Q CB 0.972 29.718 28.738 0.012 0.000 1.195 116 Q HN 0.994 nan 8.270 nan 0.000 0.426 117 G N 2.381 111.194 108.800 0.021 0.000 2.552 117 G HA2 -0.176 3.806 3.960 0.036 0.000 0.265 117 G HA3 -0.176 3.806 3.960 0.036 0.000 0.265 117 G C 0.578 175.490 174.900 0.020 0.000 1.234 117 G CA 0.263 45.374 45.100 0.020 0.000 0.944 117 G HN 1.502 nan 8.290 nan 0.000 0.568 118 G N -0.939 107.869 108.800 0.013 0.000 2.159 118 G HA2 -0.133 3.849 3.960 0.036 0.000 0.256 118 G HA3 -0.133 3.849 3.960 0.036 0.000 0.256 118 G C 0.830 175.748 174.900 0.030 0.000 0.977 118 G CA 1.469 46.576 45.100 0.011 0.000 0.652 118 G HN 2.111 nan 8.290 nan 0.000 0.531 119 D N 0.633 121.054 120.400 0.035 0.000 2.349 119 D HA 0.171 4.833 4.640 0.036 0.000 0.214 119 D C 0.721 177.044 176.300 0.039 0.000 1.063 119 D CA 0.888 54.913 54.000 0.043 0.000 0.847 119 D CB 0.008 40.835 40.800 0.044 0.000 0.933 119 D HN 0.469 nan 8.370 nan 0.000 0.513 120 D N -0.091 120.330 120.400 0.035 0.000 2.837 120 D HA 0.122 4.784 4.640 0.036 0.000 0.340 120 D C -0.203 176.121 176.300 0.041 0.000 1.451 120 D CA -0.686 53.337 54.000 0.037 0.000 0.798 120 D CB -0.348 40.472 40.800 0.032 0.000 1.169 120 D HN -0.131 nan 8.370 nan 0.000 0.449 121 L N 1.756 123.005 121.223 0.043 0.000 2.584 121 L HA 0.107 4.468 4.340 0.036 0.000 0.272 121 L C 0.742 177.658 176.870 0.077 0.000 1.195 121 L CA 0.313 55.184 54.840 0.052 0.000 0.920 121 L CB -0.094 41.995 42.059 0.050 0.000 1.173 121 L HN 0.226 nan 8.230 nan 0.000 0.489 122 D N 7.499 127.959 120.400 0.100 0.000 2.660 122 D HA -0.088 4.574 4.640 0.036 0.000 0.253 122 D C -1.352 175.041 176.300 0.155 0.000 1.256 122 D CA -0.697 53.395 54.000 0.153 0.000 0.914 122 D CB 0.948 41.903 40.800 0.259 0.000 1.137 122 D HN 0.380 nan 8.370 nan 0.000 0.542 123 P HA -0.123 nan 4.420 nan 0.000 0.228 123 P C 0.691 177.987 177.300 -0.008 0.000 1.151 123 P CA 0.486 63.614 63.100 0.047 0.000 0.770 123 P CB 0.416 32.134 31.700 0.031 0.000 0.786 124 N N -1.288 117.380 118.700 -0.052 0.000 2.494 124 N HA -0.065 4.697 4.740 0.036 0.000 0.182 124 N C 1.114 176.278 175.510 -0.576 0.000 1.076 124 N CA 0.925 53.796 53.050 -0.299 0.000 0.908 124 N CB -0.144 38.113 38.487 -0.383 0.000 0.967 124 N HN 0.370 nan 8.380 nan 0.000 0.449 125 Y N -0.614 119.696 120.300 0.017 0.000 2.736 125 Y HA 0.248 4.817 4.550 0.031 0.000 0.272 125 Y C 0.768 176.685 175.900 0.029 0.000 1.118 125 Y CA -0.220 57.891 58.100 0.018 0.000 1.248 125 Y CB 0.363 38.832 38.460 0.014 0.000 1.437 125 Y HN -0.297 nan 8.280 nan 0.000 0.481 126 V N 3.541 123.563 119.914 0.181 0.000 2.372 126 V HA 0.023 4.164 4.120 0.036 0.000 0.261 126 V C 0.872 177.026 176.094 0.100 0.000 1.055 126 V CA 0.186 62.564 62.300 0.130 0.000 0.930 126 V CB 0.498 32.389 31.823 0.113 0.000 1.031 126 V HN 0.387 nan 8.190 nan 0.000 0.479 127 L N 3.583 124.877 121.223 0.118 0.000 2.240 127 L HA 0.109 4.471 4.340 0.036 0.000 0.211 127 L C 0.936 177.865 176.870 0.097 0.000 1.106 127 L CA 0.816 55.726 54.840 0.117 0.000 0.793 127 L CB -0.006 42.173 42.059 0.199 0.000 0.927 127 L HN 0.848 nan 8.230 nan 0.000 0.446 128 S N -2.431 113.338 115.700 0.114 0.000 2.578 128 S HA 0.556 5.047 4.470 0.036 0.000 0.272 128 S C -0.815 173.834 174.600 0.081 0.000 1.145 128 S CA -0.889 57.355 58.200 0.072 0.000 0.835 128 S CB 2.045 65.253 63.200 0.013 0.000 1.104 128 S HN -0.068 nan 8.310 nan 0.000 0.458 129 S N 0.569 116.307 115.700 0.063 0.000 2.542 129 S HA 0.901 5.393 4.470 0.036 0.000 0.293 129 S C -0.717 173.913 174.600 0.050 0.000 1.089 129 S CA -0.925 57.309 58.200 0.055 0.000 0.961 129 S CB 1.818 65.050 63.200 0.053 0.000 1.062 129 S HN 0.922 nan 8.310 nan 0.000 0.483 130 R N 0.860 121.379 120.500 0.031 0.000 2.629 130 R HA 0.691 5.053 4.340 0.036 0.000 0.266 130 R C -2.458 173.827 176.300 -0.026 0.000 1.051 130 R CA -0.508 55.607 56.100 0.024 0.000 0.895 130 R CB 1.213 31.525 30.300 0.020 0.000 1.246 130 R HN 0.478 nan 8.270 nan 0.000 0.459 131 V N 3.785 123.673 119.914 -0.043 0.000 2.525 131 V HA 0.589 4.731 4.120 0.036 0.000 0.299 131 V C -0.677 175.342 176.094 -0.125 0.000 1.034 131 V CA -0.778 61.398 62.300 -0.207 0.000 0.863 131 V CB 1.804 33.346 31.823 -0.468 0.000 0.999 131 V HN 0.762 nan 8.190 nan 0.000 0.423 132 R N 1.933 122.375 120.500 -0.096 0.000 2.803 132 R HA 0.909 5.271 4.340 0.036 0.000 0.276 132 R C -0.534 175.832 176.300 0.110 0.000 0.978 132 R CA -0.571 55.550 56.100 0.034 0.000 0.939 132 R CB 2.401 32.668 30.300 -0.055 0.000 1.179 132 R HN 0.720 nan 8.270 nan 0.000 0.472 133 T N -0.584 114.070 114.554 0.166 0.000 2.711 133 T HA 0.679 5.051 4.350 0.036 0.000 0.302 133 T C -1.425 173.263 174.700 -0.019 0.000 1.373 133 T CA -0.544 61.627 62.100 0.118 0.000 1.000 133 T CB 1.805 70.836 68.868 0.272 0.000 1.483 133 T HN 0.730 nan 8.240 nan 0.000 0.499 134 G N 1.244 110.001 108.800 -0.071 0.000 2.612 134 G HA2 0.746 4.727 3.960 0.036 0.000 0.298 134 G HA3 0.746 4.727 3.960 0.036 0.000 0.298 134 G C -1.685 173.082 174.900 -0.222 0.000 1.336 134 G CA -0.610 44.421 45.100 -0.116 0.000 0.953 134 G HN 0.594 nan 8.290 nan 0.000 0.482 135 R N -0.115 120.238 120.500 -0.246 0.000 2.771 135 R HA 0.726 5.087 4.340 0.036 0.000 0.274 135 R C -1.057 175.182 176.300 -0.102 0.000 0.987 135 R CA -0.756 55.130 56.100 -0.358 0.000 0.908 135 R CB 2.101 31.881 30.300 -0.866 0.000 1.213 135 R HN 0.525 nan 8.270 nan 0.000 0.468 136 S N 1.341 117.050 115.700 0.016 0.000 2.536 136 S HA 0.592 5.084 4.470 0.036 0.000 0.298 136 S C 0.073 174.931 174.600 0.430 0.000 1.083 136 S CA -0.707 57.567 58.200 0.123 0.000 0.995 136 S CB 1.639 64.816 63.200 -0.037 0.000 1.058 136 S HN 0.373 nan 8.310 nan 0.000 0.488 137 I N 2.500 123.458 120.570 0.645 0.000 2.304 137 I HA 0.329 4.521 4.170 0.036 0.000 0.291 137 I C 0.676 177.079 176.117 0.477 0.000 1.018 137 I CA -0.538 61.038 61.300 0.461 0.000 1.260 137 I CB 0.753 38.850 38.000 0.161 0.000 1.390 137 I HN 0.508 nan 8.210 nan 0.000 0.475 138 R N 4.901 125.619 120.500 0.363 0.000 2.585 138 R HA 0.200 4.562 4.340 0.036 0.000 0.275 138 R C 1.049 177.446 176.300 0.162 0.000 1.018 138 R CA 1.379 57.632 56.100 0.255 0.000 1.072 138 R CB 0.281 30.701 30.300 0.200 0.000 0.953 138 R HN 0.976 nan 8.270 nan 0.000 0.419 139 G N 2.766 111.600 108.800 0.056 0.000 2.213 139 G HA2 -0.231 3.751 3.960 0.036 0.000 0.226 139 G HA3 -0.231 3.751 3.960 0.036 0.000 0.226 139 G C -0.419 174.275 174.900 -0.343 0.000 0.992 139 G CA -0.165 44.830 45.100 -0.176 0.000 0.632 139 G HN 0.489 nan 8.290 nan 0.000 0.511 140 F N 0.901 120.922 119.950 0.119 0.000 2.508 140 F HA 0.670 5.218 4.527 0.036 0.000 0.325 140 F C 1.171 177.080 175.800 0.181 0.000 1.090 140 F CA -1.055 57.002 58.000 0.096 0.000 0.945 140 F CB 1.363 40.344 39.000 -0.031 0.000 1.156 140 F HN 0.135 nan 8.300 nan 0.000 0.463 141 C N 2.887 122.381 119.300 0.324 0.000 2.700 141 C HA 0.298 4.780 4.460 0.036 0.000 0.397 141 C C 0.467 175.635 174.990 0.297 0.000 1.301 141 C CA -0.524 58.635 59.018 0.236 0.000 2.219 141 C CB -0.157 27.688 27.740 0.175 0.000 2.699 141 C HN 0.411 nan 8.230 nan 0.000 0.669 142 L N 3.470 124.768 121.223 0.125 0.000 2.466 142 L HA 0.259 4.621 4.340 0.036 0.000 0.257 142 L C -1.065 175.872 176.870 0.112 0.000 1.189 142 L CA -1.671 53.193 54.840 0.038 0.000 0.813 142 L CB -0.493 41.508 42.059 -0.097 0.000 1.118 142 L HN 0.423 nan 8.230 nan 0.000 0.471 143 P HA -0.157 nan 4.420 nan 0.000 0.218 143 P C -1.420 175.963 177.300 0.139 0.000 1.152 143 P CA 1.810 64.991 63.100 0.136 0.000 0.857 143 P CB -0.560 31.211 31.700 0.117 0.000 0.787 144 P HA -0.126 nan 4.420 nan 0.000 0.221 144 P C 1.227 178.691 177.300 0.274 0.000 1.150 144 P CA 1.564 64.773 63.100 0.182 0.000 0.800 144 P CB -0.142 31.667 31.700 0.181 0.000 0.787 145 H N -1.715 117.393 119.070 0.064 0.000 3.058 145 H HA 0.146 4.723 4.556 0.036 0.000 0.258 145 H C 0.161 175.551 175.328 0.103 0.000 1.015 145 H CA -0.527 55.582 56.048 0.102 0.000 1.210 145 H CB -0.483 29.246 29.762 -0.055 0.000 1.481 145 H HN 0.066 nan 8.280 nan 0.000 0.492 146 C N 2.332 121.691 119.300 0.100 0.000 2.634 146 C HA 0.506 4.988 4.460 0.036 0.000 0.417 146 C C 1.277 176.271 174.990 0.006 0.000 1.334 146 C CA -0.292 58.756 59.018 0.050 0.000 1.829 146 C CB -0.384 27.421 27.740 0.108 0.000 2.665 146 C HN 0.639 nan 8.230 nan 0.000 0.614 147 S N 3.236 118.927 115.700 -0.014 0.000 2.669 147 S HA 0.374 4.865 4.470 0.036 0.000 0.270 147 S C 1.049 175.652 174.600 0.005 0.000 1.225 147 S CA -0.584 57.611 58.200 -0.008 0.000 0.991 147 S CB 0.621 63.814 63.200 -0.012 0.000 0.987 147 S HN 0.863 nan 8.310 nan 0.000 0.552 148 R N 0.443 120.947 120.500 0.007 0.000 2.105 148 R HA -0.066 4.296 4.340 0.036 0.000 0.239 148 R C 2.446 178.739 176.300 -0.013 0.000 1.135 148 R CA 1.494 57.593 56.100 -0.002 0.000 0.967 148 R CB -1.165 29.137 30.300 0.004 0.000 0.861 148 R HN 0.880 nan 8.270 nan 0.000 0.442 149 G N 0.880 109.681 108.800 0.002 0.000 2.421 149 G HA2 -0.259 3.722 3.960 0.036 0.000 0.216 149 G HA3 -0.259 3.722 3.960 0.036 0.000 0.216 149 G C 1.098 176.004 174.900 0.011 0.000 1.171 149 G CA 0.557 45.663 45.100 0.009 0.000 0.775 149 G HN 0.341 nan 8.290 nan 0.000 0.543 150 E N -0.188 120.034 120.200 0.037 0.000 2.077 150 E HA -0.097 4.275 4.350 0.036 0.000 0.193 150 E C 2.537 179.016 176.600 -0.202 0.000 0.989 150 E CA 0.528 56.963 56.400 0.059 0.000 0.800 150 E CB -0.129 29.674 29.700 0.171 0.000 0.746 150 E HN 0.323 nan 8.360 nan 0.000 0.452 151 R N 1.065 121.480 120.500 -0.142 0.000 2.091 151 R HA -0.141 4.221 4.340 0.036 0.000 0.238 151 R C 2.279 178.451 176.300 -0.215 0.000 1.136 151 R CA 1.440 57.428 56.100 -0.187 0.000 0.959 151 R CB 0.025 30.273 30.300 -0.087 0.000 0.856 151 R HN 0.036 nan 8.270 nan 0.000 0.437 152 R N -0.382 120.030 120.500 -0.147 0.000 2.092 152 R HA -0.057 4.305 4.340 0.036 0.000 0.231 152 R C 2.310 178.499 176.300 -0.185 0.000 1.119 152 R CA 1.297 57.318 56.100 -0.131 0.000 0.970 152 R CB -0.270 29.985 30.300 -0.074 0.000 0.864 152 R HN 0.244 nan 8.270 nan 0.000 0.440 153 A N 1.179 123.870 122.820 -0.214 0.000 1.902 153 A HA -0.143 4.199 4.320 0.036 0.000 0.217 153 A C 2.139 179.419 177.584 -0.507 0.000 1.181 153 A CA 1.214 53.101 52.037 -0.249 0.000 0.623 153 A CB -0.471 18.489 19.000 -0.066 0.000 0.818 153 A HN 0.179 nan 8.150 nan 0.000 0.443 154 I N -0.578 119.523 120.570 -0.782 0.000 2.226 154 I HA -0.273 3.918 4.170 0.036 0.000 0.245 154 I C 2.606 178.443 176.117 -0.467 0.000 1.100 154 I CA 1.849 62.642 61.300 -0.845 0.000 1.374 154 I CB -0.292 37.157 38.000 -0.917 0.000 1.057 154 I HN 0.557 nan 8.210 nan 0.000 0.413 155 E N 1.479 121.482 120.200 -0.328 0.000 2.077 155 E HA -0.314 4.058 4.350 0.036 0.000 0.193 155 E C 2.236 178.689 176.600 -0.246 0.000 0.989 155 E CA 1.509 57.777 56.400 -0.220 0.000 0.800 155 E CB -0.018 29.602 29.700 -0.133 0.000 0.746 155 E HN 0.339 nan 8.360 nan 0.000 0.452 156 K N 0.418 120.681 120.400 -0.228 0.000 2.057 156 K HA -0.156 4.185 4.320 0.036 0.000 0.207 156 K C 2.294 178.780 176.600 -0.191 0.000 1.049 156 K CA 1.206 57.379 56.287 -0.190 0.000 0.931 156 K CB -0.108 32.307 32.500 -0.142 0.000 0.714 156 K HN 0.180 nan 8.250 nan 0.000 0.440 157 L N 0.435 121.508 121.223 -0.250 0.000 2.017 157 L HA -0.161 4.201 4.340 0.036 0.000 0.208 157 L C 2.672 179.535 176.870 -0.012 0.000 1.073 157 L CA 1.273 55.981 54.840 -0.220 0.000 0.745 157 L CB -0.559 41.171 42.059 -0.549 0.000 0.894 157 L HN 0.322 nan 8.230 nan 0.000 0.432 158 A N -0.314 122.468 122.820 -0.063 0.000 1.858 158 A HA -0.171 4.171 4.320 0.036 0.000 0.216 158 A C 2.309 179.794 177.584 -0.164 0.000 1.190 158 A CA 1.907 53.960 52.037 0.025 0.000 0.617 158 A CB -0.950 18.032 19.000 -0.031 0.000 0.827 158 A HN 0.185 nan 8.150 nan 0.000 0.443 159 V N 0.099 119.834 119.914 -0.298 0.000 2.332 159 V HA -0.300 3.842 4.120 0.036 0.000 0.248 159 V C 2.451 178.411 176.094 -0.224 0.000 1.055 159 V CA 2.396 64.459 62.300 -0.395 0.000 1.038 159 V CB -0.860 30.656 31.823 -0.511 0.000 0.651 159 V HN 0.633 nan 8.190 nan 0.000 0.450 160 E N -0.082 120.029 120.200 -0.149 0.000 2.051 160 E HA -0.187 4.184 4.350 0.036 0.000 0.192 160 E C 2.358 178.899 176.600 -0.097 0.000 0.991 160 E CA 1.309 57.654 56.400 -0.091 0.000 0.799 160 E CB -0.307 29.362 29.700 -0.051 0.000 0.748 160 E HN 0.603 nan 8.360 nan 0.000 0.449 161 A N 1.080 123.840 122.820 -0.101 0.000 1.877 161 A HA -0.158 4.184 4.320 0.036 0.000 0.216 161 A C 2.188 179.606 177.584 -0.277 0.000 1.186 161 A CA 1.058 52.981 52.037 -0.190 0.000 0.620 161 A CB -0.692 18.113 19.000 -0.326 0.000 0.822 161 A HN 0.138 nan 8.150 nan 0.000 0.443 162 L N 0.596 121.594 121.223 -0.375 0.000 2.083 162 L HA -0.183 4.179 4.340 0.036 0.000 0.209 162 L C 2.873 179.571 176.870 -0.286 0.000 1.083 162 L CA 1.586 56.059 54.840 -0.612 0.000 0.752 162 L CB -0.516 40.897 42.059 -1.078 0.000 0.899 162 L HN 0.606 nan 8.230 nan 0.000 0.433 163 S N -1.939 113.686 115.700 -0.124 0.000 2.507 163 S HA -0.083 4.409 4.470 0.036 0.000 0.235 163 S C 1.896 176.501 174.600 0.008 0.000 0.988 163 S CA 1.058 59.272 58.200 0.024 0.000 0.944 163 S CB -0.120 63.085 63.200 0.008 0.000 0.762 163 S HN 0.302 nan 8.310 nan 0.000 0.526 164 S N 1.166 116.834 115.700 -0.052 0.000 2.446 164 S HA 0.327 4.819 4.470 0.036 0.000 0.225 164 S C 0.651 175.232 174.600 -0.031 0.000 1.016 164 S CA -0.125 58.048 58.200 -0.044 0.000 0.943 164 S CB -0.380 62.776 63.200 -0.075 0.000 0.786 164 S HN 0.491 nan 8.310 nan 0.000 0.508 165 L N 3.605 124.806 121.223 -0.038 0.000 2.490 165 L HA 0.155 4.517 4.340 0.036 0.000 0.274 165 L C 0.384 177.298 176.870 0.073 0.000 1.201 165 L CA -0.068 54.772 54.840 -0.000 0.000 0.869 165 L CB 0.105 42.169 42.059 0.008 0.000 1.123 165 L HN 0.345 nan 8.230 nan 0.000 0.484 166 D N 1.435 121.862 120.400 0.045 0.000 2.732 166 D HA 0.572 5.234 4.640 0.036 0.000 0.292 166 D C 0.422 176.747 176.300 0.043 0.000 1.135 166 D CA 0.174 54.206 54.000 0.053 0.000 1.071 166 D CB 1.344 42.159 40.800 0.026 0.000 1.457 166 D HN 0.601 nan 8.370 nan 0.000 0.547 167 G N 0.956 109.778 108.800 0.037 0.000 2.591 167 G HA2 -0.414 3.568 3.960 0.036 0.000 0.298 167 G HA3 -0.414 3.568 3.960 0.036 0.000 0.298 167 G C 0.729 175.653 174.900 0.040 0.000 1.195 167 G CA 1.103 46.220 45.100 0.028 0.000 0.989 167 G HN 0.750 nan 8.290 nan 0.000 0.551 168 D N -0.353 120.062 120.400 0.025 0.000 2.221 168 D HA 0.029 4.691 4.640 0.036 0.000 0.204 168 D C 2.237 178.575 176.300 0.064 0.000 0.982 168 D CA 1.314 55.333 54.000 0.031 0.000 0.857 168 D CB -0.127 40.673 40.800 -0.000 0.000 0.934 168 D HN 0.222 nan 8.370 nan 0.000 0.475 169 L N 0.248 121.515 121.223 0.072 0.000 2.628 169 L HA 0.429 4.791 4.340 0.036 0.000 0.229 169 L C 0.545 177.615 176.870 0.333 0.000 1.137 169 L CA -0.173 54.780 54.840 0.188 0.000 0.909 169 L CB -0.642 41.454 42.059 0.062 0.000 1.137 169 L HN -0.034 nan 8.230 nan 0.000 0.470 170 A N -0.548 122.394 122.820 0.204 0.000 2.520 170 A HA 0.554 4.896 4.320 0.036 0.000 0.245 170 A C 0.812 178.499 177.584 0.172 0.000 1.072 170 A CA 0.791 52.948 52.037 0.200 0.000 0.761 170 A CB -0.177 18.886 19.000 0.105 0.000 1.004 170 A HN 0.373 nan 8.150 nan 0.000 0.499 171 G N 1.480 110.408 108.800 0.213 0.000 2.782 171 G HA2 0.676 4.658 3.960 0.036 0.000 0.304 171 G HA3 0.676 4.658 3.960 0.036 0.000 0.304 171 G C -0.983 173.799 174.900 -0.196 0.000 1.315 171 G CA -0.845 44.117 45.100 -0.231 0.000 0.791 171 G HN 0.785 nan 8.290 nan 0.000 0.519 172 R N -1.259 118.877 120.500 -0.608 0.000 2.771 172 R HA 0.428 4.790 4.340 0.036 0.000 0.274 172 R C -1.919 174.132 176.300 -0.414 0.000 0.987 172 R CA -0.762 55.096 56.100 -0.403 0.000 0.908 172 R CB 2.666 32.657 30.300 -0.515 0.000 1.213 172 R HN 0.533 nan 8.270 nan 0.000 0.468 173 Y N 1.456 121.601 120.300 -0.257 0.000 2.342 173 Y HA 0.391 4.962 4.550 0.035 0.000 0.334 173 Y C -1.326 174.384 175.900 -0.317 0.000 1.067 173 Y CA -0.850 57.227 58.100 -0.037 0.000 1.128 173 Y CB 0.937 39.479 38.460 0.137 0.000 1.200 173 Y HN 0.450 nan 8.280 nan 0.000 0.464 174 Y N 4.471 124.400 120.300 -0.618 0.000 2.376 174 Y HA 0.633 5.204 4.550 0.035 0.000 0.326 174 Y C 0.140 175.595 175.900 -0.742 0.000 0.970 174 Y CA -1.058 56.745 58.100 -0.495 0.000 1.248 174 Y CB 0.979 39.279 38.460 -0.267 0.000 1.117 174 Y HN 0.806 nan 8.280 nan 0.000 0.476 175 A N 2.968 125.507 122.820 -0.467 0.000 2.440 175 A HA 0.268 4.610 4.320 0.036 0.000 0.251 175 A C 0.858 178.319 177.584 -0.205 0.000 1.089 175 A CA -0.244 51.607 52.037 -0.311 0.000 0.779 175 A CB 0.464 19.425 19.000 -0.066 0.000 1.022 175 A HN 0.911 nan 8.150 nan 0.000 0.492 176 L N 1.907 122.992 121.223 -0.231 0.000 2.083 176 L HA -0.133 4.229 4.340 0.036 0.000 0.209 176 L C 2.463 179.249 176.870 -0.139 0.000 1.083 176 L CA 2.196 56.899 54.840 -0.228 0.000 0.752 176 L CB -0.667 41.203 42.059 -0.317 0.000 0.899 176 L HN 0.896 nan 8.230 nan 0.000 0.433 177 K N 0.147 120.475 120.400 -0.121 0.000 2.044 177 K HA -0.164 4.177 4.320 0.036 0.000 0.210 177 K C 1.925 178.497 176.600 -0.046 0.000 1.049 177 K CA 2.108 58.352 56.287 -0.072 0.000 0.927 177 K CB -0.502 31.963 32.500 -0.059 0.000 0.713 177 K HN 0.395 nan 8.250 nan 0.000 0.443 178 S N -0.527 115.147 115.700 -0.043 0.000 2.634 178 S HA 0.150 4.642 4.470 0.036 0.000 0.221 178 S C 0.623 175.210 174.600 -0.022 0.000 0.952 178 S CA -0.546 57.639 58.200 -0.025 0.000 0.930 178 S CB -0.522 62.669 63.200 -0.016 0.000 0.780 178 S HN 0.333 nan 8.310 nan 0.000 0.498 179 M N 4.137 123.716 119.600 -0.036 0.000 2.269 179 M HA 0.107 4.609 4.480 0.036 0.000 0.350 179 M C 0.534 176.822 176.300 -0.020 0.000 1.429 179 M CA 0.142 55.426 55.300 -0.027 0.000 1.063 179 M CB 0.600 33.160 32.600 -0.068 0.000 1.841 179 M HN 0.498 nan 8.290 nan 0.000 0.455 180 T N 1.227 115.779 114.554 -0.004 0.000 2.816 180 T HA 0.233 4.604 4.350 0.036 0.000 0.282 180 T C 0.949 175.636 174.700 -0.022 0.000 0.993 180 T CA -0.821 61.274 62.100 -0.008 0.000 0.994 180 T CB 0.886 69.756 68.868 0.004 0.000 1.025 180 T HN 0.672 nan 8.240 nan 0.000 0.529 181 E N 0.600 120.787 120.200 -0.021 0.000 2.110 181 E HA -0.097 4.274 4.350 0.036 0.000 0.193 181 E C 2.435 179.013 176.600 -0.037 0.000 0.988 181 E CA 1.491 57.873 56.400 -0.030 0.000 0.804 181 E CB -0.887 28.798 29.700 -0.024 0.000 0.745 181 E HN 0.820 nan 8.360 nan 0.000 0.458 182 A N 1.476 124.280 122.820 -0.027 0.000 1.902 182 A HA -0.209 4.133 4.320 0.036 0.000 0.217 182 A C 2.044 179.602 177.584 -0.043 0.000 1.181 182 A CA 1.545 53.564 52.037 -0.029 0.000 0.623 182 A CB -0.410 18.583 19.000 -0.013 0.000 0.818 182 A HN 0.222 nan 8.150 nan 0.000 0.443 183 E N -0.083 120.096 120.200 -0.035 0.000 2.047 183 E HA -0.257 4.114 4.350 0.036 0.000 0.191 183 E C 2.314 178.834 176.600 -0.132 0.000 0.987 183 E CA 1.414 57.770 56.400 -0.073 0.000 0.799 183 E CB -0.300 29.391 29.700 -0.015 0.000 0.752 183 E HN 0.947 nan 8.360 nan 0.000 0.449 184 Q N 0.881 120.618 119.800 -0.105 0.000 2.167 184 Q HA -0.236 4.126 4.340 0.036 0.000 0.202 184 Q C 2.097 178.028 176.000 -0.115 0.000 0.970 184 Q CA 1.336 57.068 55.803 -0.119 0.000 0.855 184 Q CB -0.146 28.534 28.738 -0.097 0.000 0.911 184 Q HN 0.050 nan 8.270 nan 0.000 0.438 185 Q N 0.923 120.664 119.800 -0.098 0.000 2.119 185 Q HA -0.195 4.166 4.340 0.036 0.000 0.201 185 Q C 2.008 177.929 176.000 -0.131 0.000 0.972 185 Q CA 1.991 57.733 55.803 -0.101 0.000 0.847 185 Q CB -0.113 28.577 28.738 -0.079 0.000 0.903 185 Q HN 0.479 nan 8.270 nan 0.000 0.433 186 Q N -0.704 119.016 119.800 -0.133 0.000 2.079 186 Q HA -0.078 4.283 4.340 0.036 0.000 0.200 186 Q C 1.608 177.476 176.000 -0.219 0.000 0.974 186 Q CA 1.194 56.900 55.803 -0.160 0.000 0.840 186 Q CB -0.407 28.254 28.738 -0.128 0.000 0.898 186 Q HN 0.393 nan 8.270 nan 0.000 0.430 187 L N 0.030 121.135 121.223 -0.197 0.000 2.083 187 L HA -0.083 4.278 4.340 0.036 0.000 0.209 187 L C 2.166 178.933 176.870 -0.172 0.000 1.083 187 L CA 1.454 56.196 54.840 -0.164 0.000 0.752 187 L CB -0.861 41.121 42.059 -0.127 0.000 0.899 187 L HN 0.338 nan 8.230 nan 0.000 0.433 188 I N -0.633 119.836 120.570 -0.167 0.000 2.179 188 I HA -0.290 3.902 4.170 0.036 0.000 0.242 188 I C 1.972 177.908 176.117 -0.303 0.000 1.088 188 I CA 1.176 62.375 61.300 -0.169 0.000 1.357 188 I CB -0.303 37.619 38.000 -0.130 0.000 1.051 188 I HN 0.229 nan 8.210 nan 0.000 0.409 189 D N 0.691 120.905 120.400 -0.309 0.000 2.178 189 D HA -0.162 4.500 4.640 0.036 0.000 0.201 189 D C 1.467 177.429 176.300 -0.563 0.000 0.980 189 D CA 1.156 54.926 54.000 -0.383 0.000 0.842 189 D CB -0.323 40.323 40.800 -0.257 0.000 0.948 189 D HN 0.325 nan 8.370 nan 0.000 0.472 190 D N -0.309 119.748 120.400 -0.570 0.000 2.340 190 D HA -0.048 4.614 4.640 0.036 0.000 0.220 190 D C 0.218 176.116 176.300 -0.670 0.000 1.039 190 D CA 0.217 53.743 54.000 -0.790 0.000 0.866 190 D CB 0.040 40.058 40.800 -1.304 0.000 0.913 190 D HN 0.354 nan 8.370 nan 0.000 0.523 191 H N -1.229 117.674 119.070 -0.278 0.000 2.936 191 H HA -0.181 4.397 4.556 0.037 0.000 0.276 191 H C 0.365 175.857 175.328 0.274 0.000 1.216 191 H CA 0.442 56.479 56.048 -0.017 0.000 1.132 191 H CB -1.863 27.890 29.762 -0.015 0.000 1.303 191 H HN 0.228 nan 8.280 nan 0.000 0.370 192 F N -0.238 119.821 119.950 0.180 0.000 2.746 192 F HA 0.197 4.744 4.527 0.034 0.000 0.297 192 F C 1.385 177.416 175.800 0.386 0.000 1.113 192 F CA -0.368 57.817 58.000 0.308 0.000 1.367 192 F CB 0.166 39.240 39.000 0.125 0.000 1.111 192 F HN 0.028 nan 8.300 nan 0.000 0.590 193 L N 1.365 122.776 121.223 0.313 0.000 2.371 193 L HA 0.347 4.709 4.340 0.036 0.000 0.272 193 L C -0.523 176.327 176.870 -0.034 0.000 1.124 193 L CA -0.475 54.380 54.840 0.024 0.000 0.816 193 L CB 0.322 42.339 42.059 -0.070 0.000 1.129 193 L HN 0.018 nan 8.230 nan 0.000 0.448 194 F N 1.240 120.955 119.950 -0.392 0.000 2.551 194 F HA 0.787 5.336 4.527 0.035 0.000 0.316 194 F C -0.778 174.932 175.800 -0.151 0.000 1.089 194 F CA -1.062 56.654 58.000 -0.473 0.000 0.915 194 F CB 0.947 39.240 39.000 -1.179 0.000 1.186 194 F HN 0.471 nan 8.300 nan 0.000 0.456 195 D N 0.474 120.962 120.400 0.147 0.000 2.621 195 D HA 0.306 4.967 4.640 0.036 0.000 0.255 195 D C -1.236 175.027 176.300 -0.063 0.000 1.122 195 D CA -1.049 53.014 54.000 0.105 0.000 1.096 195 D CB 0.898 41.685 40.800 -0.021 0.000 1.282 195 D HN 0.690 nan 8.370 nan 0.000 0.619 196 K N 0.699 120.770 120.400 -0.547 0.000 2.451 196 K HA 0.148 4.489 4.320 0.036 0.000 0.280 196 K C -2.316 173.879 176.600 -0.675 0.000 1.020 196 K CA -1.040 54.370 56.287 -1.462 0.000 1.008 196 K CB 0.216 31.943 32.500 -1.288 0.000 0.917 196 K HN 0.090 nan 8.250 nan 0.000 0.478 197 P HA -0.105 nan 4.420 nan 0.000 0.267 197 P C 0.105 177.288 177.300 -0.195 0.000 1.200 197 P CA -0.240 62.705 63.100 -0.259 0.000 0.772 197 P CB 0.719 32.313 31.700 -0.176 0.000 0.855 198 V N -0.909 118.941 119.914 -0.107 0.000 3.645 198 V HA 0.145 4.286 4.120 0.036 0.000 0.275 198 V C 0.795 176.866 176.094 -0.038 0.000 1.356 198 V CA 0.202 62.457 62.300 -0.074 0.000 1.051 198 V CB -0.139 31.652 31.823 -0.053 0.000 0.828 198 V HN 0.495 nan 8.190 nan 0.000 0.441 199 S N 2.161 117.846 115.700 -0.024 0.000 2.510 199 S HA 0.307 4.799 4.470 0.036 0.000 0.279 199 S C -1.088 173.513 174.600 0.001 0.000 1.284 199 S CA -0.575 57.627 58.200 0.003 0.000 1.059 199 S CB 1.191 64.404 63.200 0.021 0.000 0.901 199 S HN 0.302 nan 8.310 nan 0.000 0.491 200 P HA -0.035 nan 4.420 nan 0.000 0.220 200 P C 1.208 178.517 177.300 0.015 0.000 1.148 200 P CA 0.508 63.611 63.100 0.005 0.000 0.803 200 P CB 0.111 31.812 31.700 0.002 0.000 0.782 201 L N -1.540 119.699 121.223 0.026 0.000 2.083 201 L HA -0.150 4.211 4.340 0.036 0.000 0.209 201 L C 2.314 179.211 176.870 0.045 0.000 1.083 201 L CA 1.783 56.646 54.840 0.038 0.000 0.752 201 L CB -1.292 40.798 42.059 0.052 0.000 0.899 201 L HN -0.027 nan 8.230 nan 0.000 0.433 202 L N -1.994 119.252 121.223 0.039 0.000 2.127 202 L HA -0.112 4.250 4.340 0.036 0.000 0.203 202 L C 2.340 179.234 176.870 0.039 0.000 1.080 202 L CA 0.595 55.461 54.840 0.043 0.000 0.768 202 L CB -0.383 41.694 42.059 0.030 0.000 0.924 202 L HN 0.195 nan 8.230 nan 0.000 0.444 203 L N 0.098 121.330 121.223 0.016 0.000 2.046 203 L HA -0.187 4.175 4.340 0.036 0.000 0.208 203 L C 2.759 179.649 176.870 0.034 0.000 1.077 203 L CA 1.244 56.093 54.840 0.014 0.000 0.747 203 L CB -0.716 41.338 42.059 -0.009 0.000 0.896 203 L HN 0.237 nan 8.230 nan 0.000 0.432 204 A N -0.248 122.591 122.820 0.031 0.000 2.172 204 A HA -0.146 4.196 4.320 0.036 0.000 0.216 204 A C 2.403 180.020 177.584 0.054 0.000 1.154 204 A CA 1.555 53.612 52.037 0.033 0.000 0.701 204 A CB -0.479 18.534 19.000 0.021 0.000 0.789 204 A HN 0.539 nan 8.150 nan 0.000 0.465 205 S N -2.334 113.411 115.700 0.075 0.000 2.501 205 S HA 0.364 4.856 4.470 0.036 0.000 0.220 205 S C 1.482 176.167 174.600 0.142 0.000 0.997 205 S CA 1.089 59.356 58.200 0.112 0.000 0.919 205 S CB -0.163 63.110 63.200 0.121 0.000 0.778 205 S HN 1.818 nan 8.310 nan 0.000 0.523 206 G N 1.708 110.580 108.800 0.120 0.000 2.175 206 G HA2 -0.320 3.662 3.960 0.036 0.000 0.244 206 G HA3 -0.320 3.662 3.960 0.036 0.000 0.244 206 G C 0.668 175.660 174.900 0.153 0.000 0.982 206 G CA 0.452 45.635 45.100 0.138 0.000 0.641 206 G HN 0.781 nan 8.290 nan 0.000 0.527 207 M N -0.316 119.372 119.600 0.146 0.000 2.557 207 M HA 0.645 5.147 4.480 0.036 0.000 0.259 207 M C 1.931 178.357 176.300 0.211 0.000 1.086 207 M CA 2.077 57.476 55.300 0.164 0.000 1.096 207 M CB -0.204 32.482 32.600 0.143 0.000 1.424 207 M HN 0.891 nan 8.290 nan 0.000 0.488 208 A N 0.273 123.204 122.820 0.185 0.000 2.379 208 A HA 0.323 4.665 4.320 0.036 0.000 0.236 208 A C 0.694 178.452 177.584 0.290 0.000 1.272 208 A CA -0.524 51.665 52.037 0.254 0.000 0.886 208 A CB -0.403 18.626 19.000 0.048 0.000 0.962 208 A HN 0.489 nan 8.150 nan 0.000 0.504 209 R N 1.100 121.729 120.500 0.216 0.000 2.698 209 R HA 0.127 4.488 4.340 0.036 0.000 0.266 209 R C -0.165 176.251 176.300 0.193 0.000 1.026 209 R CA 0.588 56.793 56.100 0.175 0.000 1.102 209 R CB 0.078 30.457 30.300 0.133 0.000 0.978 209 R HN 0.413 nan 8.270 nan 0.000 0.436 210 D N -0.422 120.072 120.400 0.156 0.000 3.039 210 D HA -0.256 4.405 4.640 0.036 0.000 0.222 210 D C -0.457 175.930 176.300 0.145 0.000 1.179 210 D CA 0.875 54.948 54.000 0.121 0.000 0.880 210 D CB -0.831 40.009 40.800 0.066 0.000 1.115 210 D HN 0.560 nan 8.370 nan 0.000 0.416 211 W N 2.396 123.720 121.300 0.040 0.000 2.257 211 W HA 0.075 4.756 4.660 0.035 0.000 0.337 211 W C -1.428 175.109 176.519 0.029 0.000 1.321 211 W CA -0.291 57.080 57.345 0.044 0.000 1.267 211 W CB 0.329 29.816 29.460 0.046 0.000 1.187 211 W HN 0.004 nan 8.180 nan 0.000 0.565 212 P HA 0.010 nan 4.420 nan 0.000 0.262 212 P C -0.158 176.879 177.300 -0.437 0.000 1.651 212 P CA -0.054 62.606 63.100 -0.733 0.000 1.119 212 P CB -0.059 31.337 31.700 -0.506 0.000 1.552 213 D N 1.613 121.882 120.400 -0.219 0.000 2.531 213 D HA 0.057 4.719 4.640 0.036 0.000 0.239 213 D C 0.994 177.202 176.300 -0.153 0.000 1.144 213 D CA 1.182 55.102 54.000 -0.134 0.000 0.869 213 D CB 0.575 41.340 40.800 -0.059 0.000 1.160 213 D HN 0.239 nan 8.370 nan 0.000 0.484 214 A N 3.113 125.870 122.820 -0.105 0.000 2.979 214 A HA -0.287 4.055 4.320 0.036 0.000 0.260 214 A C 0.412 177.960 177.584 -0.061 0.000 1.282 214 A CA 1.226 53.222 52.037 -0.069 0.000 0.971 214 A CB -1.217 17.735 19.000 -0.080 0.000 1.124 214 A HN 0.615 nan 8.150 nan 0.000 0.826 215 R N -0.527 119.886 120.500 -0.146 0.000 2.486 215 R HA 0.690 5.052 4.340 0.036 0.000 0.286 215 R C 0.643 176.960 176.300 0.028 0.000 0.999 215 R CA 0.870 56.915 56.100 -0.091 0.000 0.993 215 R CB 1.544 31.598 30.300 -0.410 0.000 1.084 215 R HN 1.119 nan 8.270 nan 0.000 0.487 216 G N 0.932 109.868 108.800 0.227 0.000 2.623 216 G HA2 0.551 4.532 3.960 0.036 0.000 0.290 216 G HA3 0.551 4.532 3.960 0.036 0.000 0.290 216 G C -1.502 173.521 174.900 0.205 0.000 1.437 216 G CA -0.653 44.466 45.100 0.031 0.000 0.798 216 G HN 0.400 nan 8.290 nan 0.000 0.488 217 I N 0.125 120.674 120.570 -0.036 0.000 2.466 217 I HA 0.485 4.677 4.170 0.036 0.000 0.289 217 I C -1.227 175.111 176.117 0.368 0.000 1.026 217 I CA -0.513 60.947 61.300 0.266 0.000 1.078 217 I CB 2.343 40.407 38.000 0.107 0.000 1.249 217 I HN 0.624 nan 8.210 nan 0.000 0.429 218 W N 7.563 129.067 121.300 0.340 0.000 2.736 218 W HA 0.613 5.293 4.660 0.033 0.000 0.335 218 W C -1.108 175.530 176.519 0.199 0.000 1.059 218 W CA -0.196 57.325 57.345 0.293 0.000 1.226 218 W CB 1.163 30.815 29.460 0.319 0.000 1.416 218 W HN 0.622 nan 8.180 nan 0.000 0.505 219 H N 2.202 120.815 119.070 -0.763 0.000 3.046 219 H HA 0.432 5.010 4.556 0.036 0.000 0.363 219 H C -0.646 173.975 175.328 -1.178 0.000 1.203 219 H CA -1.220 54.344 56.048 -0.808 0.000 1.169 219 H CB 0.611 30.080 29.762 -0.488 0.000 1.851 219 H HN 0.435 nan 8.280 nan 0.000 0.546 220 N N 1.293 119.649 118.700 -0.573 0.000 2.399 220 N HA -0.008 4.754 4.740 0.036 0.000 0.250 220 N C -0.076 175.463 175.510 0.049 0.000 1.272 220 N CA -0.044 52.849 53.050 -0.261 0.000 0.928 220 N CB 0.523 39.090 38.487 0.133 0.000 1.158 220 N HN 0.739 nan 8.380 nan 0.000 0.463 221 D N 0.186 120.607 120.400 0.036 0.000 2.149 221 D HA -0.162 4.500 4.640 0.036 0.000 0.198 221 D C 0.774 177.157 176.300 0.138 0.000 0.990 221 D CA 1.368 55.428 54.000 0.101 0.000 0.839 221 D CB -0.366 40.470 40.800 0.061 0.000 0.948 221 D HN 0.684 nan 8.370 nan 0.000 0.460 222 N N 0.529 119.303 118.700 0.123 0.000 2.515 222 N HA -0.026 4.735 4.740 0.036 0.000 0.185 222 N C -0.203 175.391 175.510 0.139 0.000 1.109 222 N CA 0.028 53.147 53.050 0.114 0.000 0.903 222 N CB 0.132 38.679 38.487 0.100 0.000 0.969 222 N HN 0.064 nan 8.380 nan 0.000 0.450 223 K N -0.390 120.118 120.400 0.181 0.000 3.096 223 K HA -0.155 4.186 4.320 0.036 0.000 0.266 223 K C 0.160 176.900 176.600 0.234 0.000 1.043 223 K CA 0.967 57.385 56.287 0.218 0.000 0.758 223 K CB -2.075 30.559 32.500 0.222 0.000 1.260 223 K HN 0.439 nan 8.250 nan 0.000 0.481 224 T N -3.026 111.649 114.554 0.201 0.000 3.043 224 T HA 0.287 4.658 4.350 0.036 0.000 0.272 224 T C -0.166 174.716 174.700 0.303 0.000 0.990 224 T CA -0.340 61.888 62.100 0.213 0.000 0.897 224 T CB 0.162 69.136 68.868 0.176 0.000 1.111 224 T HN 0.184 nan 8.240 nan 0.000 0.529 225 F N 1.663 121.656 119.950 0.072 0.000 2.585 225 F HA 0.747 5.297 4.527 0.038 0.000 0.319 225 F C -1.799 174.056 175.800 0.092 0.000 1.165 225 F CA -2.234 55.840 58.000 0.123 0.000 0.949 225 F CB 2.019 41.159 39.000 0.233 0.000 1.218 225 F HN 0.107 nan 8.300 nan 0.000 0.453 226 L N 6.680 127.689 121.223 -0.356 0.000 2.408 226 L HA 0.902 5.264 4.340 0.036 0.000 0.268 226 L C -1.844 174.837 176.870 -0.316 0.000 0.986 226 L CA -0.623 54.022 54.840 -0.325 0.000 0.820 226 L CB 2.126 43.853 42.059 -0.553 0.000 1.303 226 L HN 0.337 nan 8.230 nan 0.000 0.411 227 V N 3.596 123.539 119.914 0.049 0.000 2.577 227 V HA 0.486 4.628 4.120 0.036 0.000 0.303 227 V C -1.297 175.056 176.094 0.432 0.000 1.042 227 V CA -0.435 61.915 62.300 0.083 0.000 0.872 227 V CB 1.859 33.721 31.823 0.066 0.000 0.998 227 V HN 0.689 nan 8.190 nan 0.000 0.423 228 W N 3.572 124.948 121.300 0.127 0.000 2.429 228 W HA 0.691 5.375 4.660 0.040 0.000 0.314 228 W C -0.463 176.131 176.519 0.125 0.000 1.062 228 W CA -1.210 56.259 57.345 0.206 0.000 1.211 228 W CB 1.670 31.150 29.460 0.033 0.000 1.305 228 W HN 0.264 nan 8.180 nan 0.000 0.476 229 V N 3.987 124.156 119.914 0.424 0.000 2.370 229 V HA 0.207 4.349 4.120 0.036 0.000 0.283 229 V C 0.318 176.501 176.094 0.148 0.000 1.023 229 V CA -0.960 61.495 62.300 0.258 0.000 0.857 229 V CB 0.657 32.656 31.823 0.293 0.000 0.985 229 V HN 0.760 nan 8.190 nan 0.000 0.443 230 N N 2.257 121.006 118.700 0.082 0.000 2.754 230 N HA -0.186 4.575 4.740 0.036 0.000 0.248 230 N C 0.826 176.337 175.510 0.002 0.000 1.093 230 N CA 1.010 54.087 53.050 0.045 0.000 0.699 230 N CB -0.320 38.163 38.487 -0.006 0.000 1.016 230 N HN 0.895 nan 8.380 nan 0.000 0.552 231 E N 0.859 121.019 120.200 -0.067 0.000 3.388 231 E HA 0.102 4.473 4.350 0.036 0.000 0.390 231 E C 0.884 177.517 176.600 0.056 0.000 0.432 231 E CA -0.130 56.202 56.400 -0.114 0.000 2.109 231 E CB 0.262 29.620 29.700 -0.569 0.000 2.195 231 E HN 0.318 nan 8.360 nan 0.000 0.488 232 E N 0.109 120.336 120.200 0.045 0.000 2.150 232 E HA -0.083 4.289 4.350 0.036 0.000 0.193 232 E C -0.111 176.522 176.600 0.054 0.000 0.985 232 E CA 0.839 57.282 56.400 0.072 0.000 0.814 232 E CB 0.220 29.967 29.700 0.079 0.000 0.752 232 E HN 0.222 nan 8.360 nan 0.000 0.466 233 D N -2.444 117.982 120.400 0.043 0.000 2.592 233 D HA 0.125 4.787 4.640 0.036 0.000 0.263 233 D C 0.608 176.956 176.300 0.080 0.000 1.132 233 D CA -0.568 53.431 54.000 -0.001 0.000 0.996 233 D CB 0.941 41.718 40.800 -0.038 0.000 1.442 233 D HN -0.067 nan 8.370 nan 0.000 0.486 234 H N -0.061 119.017 119.070 0.014 0.000 2.319 234 H HA 0.030 4.607 4.556 0.036 0.000 0.297 234 H C 0.297 175.633 175.328 0.012 0.000 1.097 234 H CA 1.233 57.277 56.048 -0.006 0.000 1.285 234 H CB 0.119 29.875 29.762 -0.011 0.000 1.368 234 H HN 0.140 nan 8.280 nan 0.000 0.495 235 L N 0.159 121.465 121.223 0.138 0.000 2.422 235 L HA 0.479 4.841 4.340 0.036 0.000 0.264 235 L C -0.314 176.560 176.870 0.007 0.000 0.984 235 L CA -0.598 54.290 54.840 0.080 0.000 0.819 235 L CB 2.890 44.993 42.059 0.073 0.000 1.330 235 L HN -0.101 nan 8.230 nan 0.000 0.410 236 R N 2.200 122.708 120.500 0.014 0.000 2.476 236 R HA 0.636 4.998 4.340 0.036 0.000 0.305 236 R C -1.417 174.788 176.300 -0.157 0.000 0.965 236 R CA -0.738 55.321 56.100 -0.068 0.000 0.867 236 R CB 2.659 32.936 30.300 -0.038 0.000 1.176 236 R HN 0.259 nan 8.270 nan 0.000 0.447 237 V N 5.465 125.271 119.914 -0.179 0.000 2.384 237 V HA 0.475 4.617 4.120 0.036 0.000 0.287 237 V C -0.401 175.607 176.094 -0.143 0.000 1.020 237 V CA -0.729 61.424 62.300 -0.246 0.000 0.850 237 V CB 1.541 33.211 31.823 -0.254 0.000 0.987 237 V HN 0.542 nan 8.190 nan 0.000 0.436 238 I N 3.701 124.111 120.570 -0.268 0.000 2.498 238 I HA 0.547 4.739 4.170 0.036 0.000 0.290 238 I C -0.025 176.102 176.117 0.017 0.000 1.032 238 I CA -0.054 61.184 61.300 -0.105 0.000 1.073 238 I CB 2.196 40.056 38.000 -0.234 0.000 1.251 238 I HN 0.546 nan 8.210 nan 0.000 0.426 239 S N 7.529 123.377 115.700 0.248 0.000 2.473 239 S HA 0.952 5.444 4.470 0.036 0.000 0.307 239 S C -0.565 174.158 174.600 0.204 0.000 1.094 239 S CA -0.599 57.820 58.200 0.364 0.000 1.070 239 S CB 0.695 64.208 63.200 0.520 0.000 1.019 239 S HN 0.618 nan 8.310 nan 0.000 0.480 240 M N 2.904 122.617 119.600 0.188 0.000 2.880 240 M HA 0.614 5.116 4.480 0.036 0.000 0.269 240 M C -2.046 174.332 176.300 0.131 0.000 1.248 240 M CA -0.679 54.702 55.300 0.134 0.000 0.821 240 M CB 0.865 33.534 32.600 0.115 0.000 1.650 240 M HN 0.830 nan 8.290 nan 0.000 0.479 241 Q N -0.220 119.639 119.800 0.098 0.000 2.903 241 Q HA 0.494 4.855 4.340 0.036 0.000 0.277 241 Q C -1.976 174.060 176.000 0.060 0.000 0.933 241 Q CA -1.059 54.794 55.803 0.084 0.000 0.822 241 Q CB 1.432 30.222 28.738 0.087 0.000 1.693 241 Q HN 0.778 nan 8.270 nan 0.000 0.447 242 K N 0.519 120.947 120.400 0.048 0.000 2.219 242 K HA 0.621 4.963 4.320 0.036 0.000 0.258 242 K C 0.449 177.076 176.600 0.046 0.000 1.008 242 K CA 0.767 57.077 56.287 0.037 0.000 0.928 242 K CB 0.617 33.132 32.500 0.026 0.000 0.983 242 K HN 0.972 nan 8.250 nan 0.000 0.484 243 G N -0.198 108.631 108.800 0.048 0.000 2.728 243 G HA2 -0.166 3.815 3.960 0.036 0.000 0.294 243 G HA3 -0.166 3.815 3.960 0.036 0.000 0.294 243 G C 0.202 175.138 174.900 0.060 0.000 1.342 243 G CA -0.494 44.636 45.100 0.051 0.000 0.866 243 G HN 0.748 nan 8.290 nan 0.000 0.534 244 G N -0.580 108.255 108.800 0.059 0.000 3.936 244 G HA2 0.381 4.363 3.960 0.036 0.000 0.296 244 G HA3 0.381 4.363 3.960 0.036 0.000 0.296 244 G C 0.391 175.323 174.900 0.053 0.000 1.121 244 G CA 0.560 45.696 45.100 0.060 0.000 0.899 244 G HN 0.726 nan 8.290 nan 0.000 0.542 245 N N 1.291 120.024 118.700 0.055 0.000 3.124 245 N HA 0.098 4.860 4.740 0.036 0.000 0.284 245 N C 1.559 177.108 175.510 0.065 0.000 1.209 245 N CA -0.493 52.590 53.050 0.056 0.000 1.149 245 N CB 0.661 39.182 38.487 0.056 0.000 1.434 245 N HN 0.143 nan 8.380 nan 0.000 0.529 246 M N 2.107 121.741 119.600 0.056 0.000 2.213 246 M HA -0.090 4.412 4.480 0.036 0.000 0.263 246 M C 1.813 178.172 176.300 0.099 0.000 1.062 246 M CA 1.619 56.953 55.300 0.056 0.000 1.105 246 M CB -0.062 32.546 32.600 0.013 0.000 1.385 246 M HN 0.360 nan 8.290 nan 0.000 0.417 247 K N -0.325 120.133 120.400 0.097 0.000 2.057 247 K HA -0.220 4.121 4.320 0.036 0.000 0.206 247 K C 2.074 178.771 176.600 0.162 0.000 1.050 247 K CA 1.770 58.144 56.287 0.145 0.000 0.935 247 K CB -0.316 32.247 32.500 0.104 0.000 0.715 247 K HN 0.583 nan 8.250 nan 0.000 0.439 248 E N 0.207 120.475 120.200 0.113 0.000 2.077 248 E HA -0.159 4.213 4.350 0.036 0.000 0.193 248 E C 1.895 178.566 176.600 0.118 0.000 0.989 248 E CA 1.275 57.732 56.400 0.095 0.000 0.800 248 E CB 0.118 29.862 29.700 0.073 0.000 0.746 248 E HN 0.155 nan 8.360 nan 0.000 0.452 249 V N 0.956 120.953 119.914 0.138 0.000 2.287 249 V HA -0.250 3.892 4.120 0.036 0.000 0.248 249 V C 2.203 178.437 176.094 0.234 0.000 1.053 249 V CA 2.009 64.408 62.300 0.165 0.000 1.027 249 V CB -0.692 31.213 31.823 0.136 0.000 0.646 249 V HN 0.354 nan 8.190 nan 0.000 0.447 250 F N 1.294 121.282 119.950 0.063 0.000 2.171 250 F HA -0.170 4.368 4.527 0.018 0.000 0.300 250 F C 2.394 178.297 175.800 0.172 0.000 1.090 250 F CA 2.084 60.133 58.000 0.082 0.000 1.293 250 F CB -0.722 38.290 39.000 0.020 0.000 1.013 250 F HN 0.125 nan 8.300 nan 0.000 0.486 251 T N 0.450 115.045 114.554 0.068 0.000 2.708 251 T HA -0.206 4.165 4.350 0.036 0.000 0.266 251 T C 2.147 176.802 174.700 -0.075 0.000 1.037 251 T CA 1.598 63.664 62.100 -0.057 0.000 1.146 251 T CB -0.321 68.555 68.868 0.012 0.000 0.865 251 T HN 0.244 nan 8.240 nan 0.000 0.435 252 R N -0.159 120.337 120.500 -0.008 0.000 2.081 252 R HA -0.092 4.270 4.340 0.036 0.000 0.235 252 R C 2.235 178.471 176.300 -0.107 0.000 1.131 252 R CA 1.359 57.410 56.100 -0.081 0.000 0.960 252 R CB -0.503 29.788 30.300 -0.015 0.000 0.856 252 R HN 0.402 nan 8.270 nan 0.000 0.436 253 F N 0.860 120.764 119.950 -0.076 0.000 2.065 253 F HA -0.332 4.215 4.527 0.033 0.000 0.298 253 F C 2.251 177.981 175.800 -0.116 0.000 1.112 253 F CA 1.906 59.920 58.000 0.024 0.000 1.212 253 F CB -0.649 38.384 39.000 0.055 0.000 0.975 253 F HN 0.083 nan 8.300 nan 0.000 0.476 254 C N 0.064 119.261 119.300 -0.173 0.000 2.429 254 C HA -0.158 4.324 4.460 0.036 0.000 0.277 254 C C 2.690 177.530 174.990 -0.249 0.000 1.262 254 C CA 1.729 60.572 59.018 -0.292 0.000 1.733 254 C CB -1.458 26.059 27.740 -0.372 0.000 2.010 254 C HN 0.611 nan 8.230 nan 0.000 0.483 255 T N 0.464 114.879 114.554 -0.232 0.000 2.777 255 T HA -0.026 4.345 4.350 0.036 0.000 0.266 255 T C 2.052 176.591 174.700 -0.270 0.000 1.040 255 T CA 1.657 63.626 62.100 -0.218 0.000 1.141 255 T CB -0.662 68.087 68.868 -0.200 0.000 0.868 255 T HN 0.655 nan 8.240 nan 0.000 0.444 256 G N 1.509 110.068 108.800 -0.402 0.000 2.421 256 G HA2 -0.129 3.852 3.960 0.036 0.000 0.216 256 G HA3 -0.129 3.852 3.960 0.036 0.000 0.216 256 G C 1.513 176.308 174.900 -0.174 0.000 1.171 256 G CA 0.477 45.304 45.100 -0.454 0.000 0.775 256 G HN 0.425 nan 8.290 nan 0.000 0.543 257 L N 0.411 121.522 121.223 -0.187 0.000 2.046 257 L HA -0.101 4.260 4.340 0.036 0.000 0.208 257 L C 3.233 180.052 176.870 -0.085 0.000 1.077 257 L CA 1.614 56.361 54.840 -0.156 0.000 0.747 257 L CB -0.718 41.138 42.059 -0.338 0.000 0.896 257 L HN 0.194 nan 8.230 nan 0.000 0.432 258 T N -0.979 113.499 114.554 -0.128 0.000 2.708 258 T HA -0.228 4.143 4.350 0.036 0.000 0.266 258 T C 1.876 176.493 174.700 -0.138 0.000 1.037 258 T CA 1.329 63.365 62.100 -0.105 0.000 1.146 258 T CB -0.191 68.611 68.868 -0.109 0.000 0.865 258 T HN 0.395 nan 8.240 nan 0.000 0.435 259 Q N 0.212 119.914 119.800 -0.163 0.000 2.084 259 Q HA -0.006 4.355 4.340 0.036 0.000 0.202 259 Q C 2.413 178.265 176.000 -0.247 0.000 0.978 259 Q CA 1.163 56.858 55.803 -0.180 0.000 0.844 259 Q CB -0.390 28.242 28.738 -0.177 0.000 0.898 259 Q HN 0.515 nan 8.270 nan 0.000 0.426 260 I N 0.827 121.227 120.570 -0.284 0.000 2.179 260 I HA -0.291 3.901 4.170 0.036 0.000 0.242 260 I C 2.550 178.270 176.117 -0.662 0.000 1.088 260 I CA 1.342 62.345 61.300 -0.495 0.000 1.357 260 I CB -0.297 37.464 38.000 -0.398 0.000 1.051 260 I HN 0.298 nan 8.210 nan 0.000 0.409 261 E N 0.566 120.524 120.200 -0.404 0.000 2.085 261 E HA -0.228 4.144 4.350 0.036 0.000 0.194 261 E C 2.033 178.457 176.600 -0.293 0.000 0.994 261 E CA 1.953 58.065 56.400 -0.480 0.000 0.801 261 E CB 0.052 29.554 29.700 -0.329 0.000 0.743 261 E HN 0.395 nan 8.360 nan 0.000 0.453 262 T N 1.556 115.978 114.554 -0.219 0.000 2.746 262 T HA -0.120 4.252 4.350 0.036 0.000 0.267 262 T C 1.693 176.321 174.700 -0.120 0.000 1.039 262 T CA 0.795 62.810 62.100 -0.142 0.000 1.142 262 T CB -0.077 68.718 68.868 -0.121 0.000 0.866 262 T HN 0.112 nan 8.240 nan 0.000 0.444 263 L N 0.289 121.401 121.223 -0.185 0.000 2.046 263 L HA -0.017 4.345 4.340 0.036 0.000 0.208 263 L C 2.282 179.168 176.870 0.027 0.000 1.077 263 L CA 1.751 56.516 54.840 -0.126 0.000 0.747 263 L CB -1.410 40.516 42.059 -0.222 0.000 0.896 263 L HN 0.237 nan 8.230 nan 0.000 0.432 264 F N 0.766 120.657 119.950 -0.098 0.000 2.102 264 F HA -0.176 4.374 4.527 0.038 0.000 0.298 264 F C 2.513 178.319 175.800 0.009 0.000 1.105 264 F CA 0.878 58.849 58.000 -0.048 0.000 1.239 264 F CB -0.959 37.956 39.000 -0.142 0.000 0.991 264 F HN 0.118 nan 8.300 nan 0.000 0.474 265 K N 0.219 120.695 120.400 0.127 0.000 2.152 265 K HA -0.159 4.183 4.320 0.036 0.000 0.206 265 K C 2.101 178.725 176.600 0.039 0.000 1.048 265 K CA 1.665 57.980 56.287 0.047 0.000 0.933 265 K CB -0.440 32.048 32.500 -0.020 0.000 0.721 265 K HN 0.312 nan 8.250 nan 0.000 0.447 266 S N 0.866 116.591 115.700 0.042 0.000 2.469 266 S HA -0.091 4.401 4.470 0.036 0.000 0.238 266 S C 1.386 176.017 174.600 0.051 0.000 0.998 266 S CA 0.968 59.184 58.200 0.027 0.000 0.957 266 S CB -0.014 63.195 63.200 0.015 0.000 0.764 266 S HN 0.215 nan 8.310 nan 0.000 0.514 267 K N 0.573 121.041 120.400 0.113 0.000 2.414 267 K HA 0.169 4.510 4.320 0.036 0.000 0.204 267 K C -0.655 175.962 176.600 0.028 0.000 1.026 267 K CA 0.130 56.506 56.287 0.148 0.000 1.108 267 K CB 0.359 33.044 32.500 0.309 0.000 0.855 267 K HN 0.146 nan 8.250 nan 0.000 0.517 268 D N -0.090 120.285 120.400 -0.042 0.000 2.981 268 D HA -0.197 4.465 4.640 0.036 0.000 0.223 268 D C -0.951 175.145 176.300 -0.339 0.000 1.151 268 D CA 1.253 55.138 54.000 -0.191 0.000 0.827 268 D CB -1.180 39.462 40.800 -0.264 0.000 1.101 268 D HN 0.235 nan 8.370 nan 0.000 0.426 269 Y N 0.434 120.723 120.300 -0.019 0.000 2.509 269 Y HA 0.515 5.086 4.550 0.036 0.000 0.341 269 Y C 0.949 176.824 175.900 -0.041 0.000 1.038 269 Y CA -0.665 57.408 58.100 -0.046 0.000 1.089 269 Y CB 1.556 39.940 38.460 -0.127 0.000 1.241 269 Y HN -0.054 nan 8.280 nan 0.000 0.468 270 E N 0.467 120.749 120.200 0.137 0.000 2.449 270 E HA 0.494 4.866 4.350 0.036 0.000 0.278 270 E C -1.840 174.865 176.600 0.176 0.000 0.992 270 E CA -0.946 55.480 56.400 0.044 0.000 0.807 270 E CB 1.492 31.227 29.700 0.058 0.000 1.350 270 E HN 0.240 nan 8.360 nan 0.000 0.462 271 F N 0.814 120.928 119.950 0.273 0.000 2.382 271 F HA 0.329 4.877 4.527 0.035 0.000 0.331 271 F C 0.924 176.924 175.800 0.334 0.000 1.121 271 F CA -0.815 57.371 58.000 0.310 0.000 1.183 271 F CB 0.616 39.834 39.000 0.364 0.000 1.207 271 F HN 0.303 nan 8.300 nan 0.000 0.555 272 M N 2.381 122.295 119.600 0.524 0.000 2.227 272 M HA 0.131 4.633 4.480 0.036 0.000 0.349 272 M C -1.033 175.537 176.300 0.449 0.000 1.443 272 M CA 0.619 56.144 55.300 0.375 0.000 1.110 272 M CB 0.356 33.109 32.600 0.254 0.000 1.773 272 M HN 0.733 nan 8.290 nan 0.000 0.463 273 W N 5.753 127.121 121.300 0.113 0.000 3.419 273 W HA 0.446 5.128 4.660 0.036 0.000 0.298 273 W C -1.792 174.701 176.519 -0.043 0.000 1.260 273 W CA -0.512 56.810 57.345 -0.039 0.000 1.199 273 W CB 1.172 30.558 29.460 -0.124 0.000 1.349 273 W HN 0.747 nan 8.180 nan 0.000 0.557 274 N N 3.593 121.724 118.700 -0.949 0.000 2.591 274 N HA 0.412 5.173 4.740 0.036 0.000 0.263 274 N C -2.708 171.901 175.510 -1.502 0.000 1.308 274 N CA -1.717 50.808 53.050 -0.876 0.000 0.837 274 N CB 2.727 41.022 38.487 -0.319 0.000 1.548 274 N HN 0.025 nan 8.380 nan 0.000 0.493 275 P HA -0.148 nan 4.420 nan 0.000 0.220 275 P C 0.626 177.796 177.300 -0.217 0.000 1.144 275 P CA 1.419 64.237 63.100 -0.470 0.000 0.800 275 P CB 0.006 31.651 31.700 -0.090 0.000 0.772 276 H N -1.467 117.422 119.070 -0.301 0.000 2.406 276 H HA 0.137 4.715 4.556 0.037 0.000 0.304 276 H C 1.352 176.603 175.328 -0.128 0.000 1.042 276 H CA 1.066 57.043 56.048 -0.118 0.000 1.360 276 H CB -0.504 29.205 29.762 -0.088 0.000 1.448 276 H HN -0.143 nan 8.280 nan 0.000 0.553 277 L N 0.289 121.195 121.223 -0.529 0.000 2.640 277 L HA 0.324 4.685 4.340 0.036 0.000 0.230 277 L C 1.443 177.864 176.870 -0.748 0.000 1.123 277 L CA 0.925 55.355 54.840 -0.683 0.000 0.900 277 L CB -0.209 41.468 42.059 -0.637 0.000 1.146 277 L HN 0.675 nan 8.230 nan 0.000 0.484 278 G N -0.787 107.512 108.800 -0.835 0.000 2.550 278 G HA2 -0.365 3.617 3.960 0.036 0.000 0.277 278 G HA3 -0.365 3.617 3.960 0.036 0.000 0.277 278 G C -0.251 174.194 174.900 -0.758 0.000 1.190 278 G CA 0.053 44.620 45.100 -0.889 0.000 0.971 278 G HN 0.087 nan 8.290 nan 0.000 0.559 279 Y N 0.939 121.162 120.300 -0.128 0.000 2.402 279 Y HA 0.433 5.004 4.550 0.035 0.000 0.333 279 Y C 1.267 177.071 175.900 -0.160 0.000 1.076 279 Y CA -0.516 57.588 58.100 0.008 0.000 1.299 279 Y CB 0.607 39.105 38.460 0.063 0.000 1.197 279 Y HN 0.319 nan 8.280 nan 0.000 0.517 280 I N 5.943 126.532 120.570 0.032 0.000 2.416 280 I HA 0.187 4.379 4.170 0.036 0.000 0.288 280 I C 0.037 176.154 176.117 0.001 0.000 1.051 280 I CA -0.174 61.083 61.300 -0.071 0.000 1.375 280 I CB -0.199 37.796 38.000 -0.009 0.000 1.407 280 I HN 0.551 nan 8.210 nan 0.000 0.516 281 L N 4.479 125.693 121.223 -0.015 0.000 2.303 281 L HA 0.416 4.778 4.340 0.036 0.000 0.256 281 L C 1.454 178.367 176.870 0.071 0.000 1.034 281 L CA -0.613 54.228 54.840 0.002 0.000 0.832 281 L CB 1.927 43.978 42.059 -0.013 0.000 1.403 281 L HN 0.475 nan 8.230 nan 0.000 0.419 282 T N -1.086 113.483 114.554 0.024 0.000 2.684 282 T HA -0.180 4.192 4.350 0.036 0.000 0.267 282 T C 0.529 175.286 174.700 0.096 0.000 1.036 282 T CA 1.147 63.269 62.100 0.038 0.000 1.148 282 T CB -0.135 68.746 68.868 0.022 0.000 0.863 282 T HN 0.519 nan 8.240 nan 0.000 0.436 283 C N 2.611 121.973 119.300 0.105 0.000 2.307 283 C HA 0.403 4.884 4.460 0.036 0.000 0.340 283 C C -1.360 173.725 174.990 0.158 0.000 1.275 283 C CA -2.270 56.829 59.018 0.135 0.000 1.811 283 C CB 0.940 28.744 27.740 0.106 0.000 2.372 283 C HN 0.280 nan 8.230 nan 0.000 0.531 284 P HA -0.156 nan 4.420 nan 0.000 0.217 284 P C 1.591 179.013 177.300 0.204 0.000 1.148 284 P CA 2.078 65.311 63.100 0.223 0.000 0.828 284 P CB 0.048 31.934 31.700 0.310 0.000 0.783 285 S N -1.683 114.094 115.700 0.128 0.000 2.474 285 S HA -0.094 4.398 4.470 0.036 0.000 0.235 285 S C 1.361 176.060 174.600 0.164 0.000 0.997 285 S CA 1.037 59.286 58.200 0.082 0.000 0.949 285 S CB -1.313 61.891 63.200 0.007 0.000 0.766 285 S HN 0.268 nan 8.310 nan 0.000 0.517 286 N N 0.404 119.164 118.700 0.101 0.000 2.235 286 N HA 0.286 5.048 4.740 0.036 0.000 0.209 286 N C -0.735 174.752 175.510 -0.039 0.000 1.122 286 N CA -0.385 52.691 53.050 0.044 0.000 0.845 286 N CB 0.132 38.638 38.487 0.031 0.000 1.004 286 N HN 0.185 nan 8.380 nan 0.000 0.499 287 L N 0.134 121.288 121.223 -0.115 0.000 2.468 287 L HA 0.246 4.608 4.340 0.036 0.000 0.253 287 L C 1.776 178.380 176.870 -0.443 0.000 1.237 287 L CA 1.057 55.705 54.840 -0.321 0.000 0.823 287 L CB -0.435 41.346 42.059 -0.464 0.000 1.124 287 L HN 0.345 nan 8.230 nan 0.000 0.504 288 G N 0.403 108.831 108.800 -0.620 0.000 3.487 288 G HA2 -0.390 3.591 3.960 0.036 0.000 0.295 288 G HA3 -0.390 3.591 3.960 0.036 0.000 0.295 288 G C 0.818 175.446 174.900 -0.454 0.000 1.454 288 G CA 1.125 45.611 45.100 -1.024 0.000 1.039 288 G HN 0.903 nan 8.290 nan 0.000 0.624 289 T N -1.129 113.369 114.554 -0.093 0.000 3.015 289 T HA 0.448 4.819 4.350 0.036 0.000 0.250 289 T C 2.621 177.409 174.700 0.147 0.000 1.057 289 T CA 1.674 63.904 62.100 0.216 0.000 1.066 289 T CB 0.260 69.286 68.868 0.264 0.000 0.959 289 T HN 2.621 nan 8.240 nan 0.000 0.488 290 G N 1.770 110.594 108.800 0.040 0.000 2.296 290 G HA2 -0.255 3.726 3.960 0.036 0.000 0.282 290 G HA3 -0.255 3.726 3.960 0.036 0.000 0.282 290 G C -0.078 174.855 174.900 0.054 0.000 1.014 290 G CA 0.690 45.809 45.100 0.031 0.000 0.812 290 G HN 0.820 nan 8.290 nan 0.000 0.508 291 L N -0.556 120.706 121.223 0.066 0.000 2.289 291 L HA 0.791 5.152 4.340 0.036 0.000 0.285 291 L C 0.436 177.296 176.870 -0.017 0.000 1.049 291 L CA -1.219 53.646 54.840 0.042 0.000 0.804 291 L CB 1.043 43.141 42.059 0.065 0.000 1.195 291 L HN 0.183 nan 8.230 nan 0.000 0.428 292 R N 4.780 125.252 120.500 -0.046 0.000 2.422 292 R HA 0.671 5.032 4.340 0.036 0.000 0.307 292 R C -1.463 174.779 176.300 -0.096 0.000 1.004 292 R CA -0.411 55.654 56.100 -0.059 0.000 0.882 292 R CB 1.434 31.713 30.300 -0.035 0.000 1.164 292 R HN 0.736 nan 8.270 nan 0.000 0.489 293 A N 2.788 125.540 122.820 -0.113 0.000 2.288 293 A HA 0.801 5.143 4.320 0.036 0.000 0.320 293 A C -0.451 177.085 177.584 -0.079 0.000 1.217 293 A CA -0.389 51.571 52.037 -0.128 0.000 0.840 293 A CB 1.575 20.465 19.000 -0.182 0.000 1.179 293 A HN 0.844 nan 8.150 nan 0.000 0.504 294 G N -0.138 108.634 108.800 -0.047 0.000 2.682 294 G HA2 0.727 4.708 3.960 0.036 0.000 0.290 294 G HA3 0.727 4.708 3.960 0.036 0.000 0.290 294 G C -0.983 173.930 174.900 0.022 0.000 1.425 294 G CA 0.124 45.217 45.100 -0.011 0.000 0.807 294 G HN 1.843 nan 8.290 nan 0.000 0.482 295 V N -2.629 117.316 119.914 0.053 0.000 2.962 295 V HA 0.662 4.804 4.120 0.036 0.000 0.313 295 V C -0.647 175.533 176.094 0.143 0.000 1.099 295 V CA -1.078 61.276 62.300 0.089 0.000 0.971 295 V CB 1.929 33.799 31.823 0.078 0.000 1.028 295 V HN 0.925 nan 8.190 nan 0.000 0.430 296 H N 3.687 122.782 119.070 0.042 0.000 2.690 296 H HA 0.614 5.190 4.556 0.034 0.000 0.289 296 H C -1.274 174.095 175.328 0.068 0.000 1.089 296 H CA -0.232 55.841 56.048 0.040 0.000 1.299 296 H CB 1.297 31.062 29.762 0.004 0.000 1.405 296 H HN 0.825 nan 8.280 nan 0.000 0.463 297 I N 4.883 125.453 120.570 -0.000 0.000 2.647 297 I HA 0.257 4.449 4.170 0.036 0.000 0.295 297 I C -0.863 175.300 176.117 0.077 0.000 1.078 297 I CA -0.940 60.406 61.300 0.075 0.000 1.048 297 I CB 1.742 39.825 38.000 0.138 0.000 1.239 297 I HN 0.447 nan 8.210 nan 0.000 0.421 298 K N 8.169 128.630 120.400 0.101 0.000 2.316 298 K HA 0.411 4.753 4.320 0.036 0.000 0.289 298 K C -0.911 175.813 176.600 0.208 0.000 1.070 298 K CA -0.113 56.233 56.287 0.100 0.000 0.928 298 K CB 0.682 33.205 32.500 0.038 0.000 1.039 298 K HN 0.538 nan 8.250 nan 0.000 0.480 299 L N 5.524 126.866 121.223 0.199 0.000 2.669 299 L HA 0.166 4.527 4.340 0.036 0.000 0.273 299 L C -1.640 175.288 176.870 0.098 0.000 1.441 299 L CA -1.216 53.689 54.840 0.108 0.000 0.745 299 L CB 1.139 43.174 42.059 -0.041 0.000 1.044 299 L HN 0.418 nan 8.230 nan 0.000 0.523 300 P HA -0.170 nan 4.420 nan 0.000 0.215 300 P C 0.748 178.060 177.300 0.021 0.000 1.153 300 P CA 1.464 64.603 63.100 0.066 0.000 0.853 300 P CB 0.364 32.086 31.700 0.036 0.000 0.788 301 N N -0.185 118.512 118.700 -0.005 0.000 2.092 301 N HA -0.085 4.677 4.740 0.036 0.000 0.189 301 N C 1.936 177.398 175.510 -0.081 0.000 1.040 301 N CA 0.691 53.728 53.050 -0.022 0.000 0.845 301 N CB -1.076 37.410 38.487 -0.003 0.000 1.017 301 N HN 0.046 nan 8.380 nan 0.000 0.426 302 L N 1.711 122.819 121.223 -0.191 0.000 2.079 302 L HA -0.012 4.349 4.340 0.036 0.000 0.210 302 L C 2.109 178.569 176.870 -0.684 0.000 1.081 302 L CA 1.508 56.123 54.840 -0.375 0.000 0.752 302 L CB -1.135 40.626 42.059 -0.497 0.000 0.896 302 L HN 0.162 nan 8.230 nan 0.000 0.433 303 G N -1.172 107.206 108.800 -0.703 0.000 2.470 303 G HA2 -0.248 3.734 3.960 0.036 0.000 0.220 303 G HA3 -0.248 3.734 3.960 0.036 0.000 0.220 303 G C 1.578 176.389 174.900 -0.147 0.000 1.121 303 G CA 0.773 45.473 45.100 -0.667 0.000 0.766 303 G HN 0.463 nan 8.290 nan 0.000 0.553 304 K N -0.588 119.770 120.400 -0.069 0.000 2.353 304 K HA 0.099 4.440 4.320 0.036 0.000 0.195 304 K C 0.384 176.994 176.600 0.016 0.000 1.031 304 K CA -0.466 55.826 56.287 0.009 0.000 1.079 304 K CB 0.283 32.786 32.500 0.006 0.000 0.857 304 K HN 0.240 nan 8.250 nan 0.000 0.535 305 H N 2.398 121.428 119.070 -0.067 0.000 2.803 305 H HA -0.030 4.548 4.556 0.037 0.000 0.330 305 H C 0.786 176.133 175.328 0.032 0.000 1.057 305 H CA 0.628 56.661 56.048 -0.024 0.000 1.458 305 H CB 1.107 30.841 29.762 -0.046 0.000 1.470 305 H HN 0.293 nan 8.280 nan 0.000 0.560 306 E N 3.543 123.760 120.200 0.030 0.000 2.265 306 E HA -0.137 4.235 4.350 0.036 0.000 0.196 306 E C 0.437 177.157 176.600 0.200 0.000 0.996 306 E CA 0.936 57.391 56.400 0.092 0.000 0.832 306 E CB 0.209 29.908 29.700 -0.001 0.000 0.756 306 E HN 0.306 nan 8.360 nan 0.000 0.491 307 K N -0.086 120.563 120.400 0.415 0.000 2.387 307 K HA 0.059 4.400 4.320 0.036 0.000 0.198 307 K C 1.021 177.718 176.600 0.162 0.000 1.022 307 K CA -0.140 56.280 56.287 0.221 0.000 1.128 307 K CB -0.107 32.484 32.500 0.152 0.000 0.853 307 K HN 0.159 nan 8.250 nan 0.000 0.523 308 F N 2.491 122.442 119.950 0.003 0.000 2.075 308 F HA -0.169 4.378 4.527 0.034 0.000 0.297 308 F C 1.935 177.673 175.800 -0.104 0.000 1.113 308 F CA 1.252 59.197 58.000 -0.092 0.000 1.218 308 F CB -0.383 38.539 39.000 -0.131 0.000 0.984 308 F HN -0.068 nan 8.300 nan 0.000 0.472 309 S N 0.050 115.641 115.700 -0.182 0.000 2.382 309 S HA -0.171 4.321 4.470 0.036 0.000 0.228 309 S C 1.921 176.405 174.600 -0.193 0.000 1.027 309 S CA 1.180 59.206 58.200 -0.291 0.000 0.991 309 S CB -0.317 62.791 63.200 -0.152 0.000 0.823 309 S HN 0.387 nan 8.310 nan 0.000 0.469 310 E N 0.935 121.079 120.200 -0.093 0.000 2.047 310 E HA -0.067 4.304 4.350 0.036 0.000 0.191 310 E C 2.303 178.858 176.600 -0.076 0.000 0.987 310 E CA 0.787 57.150 56.400 -0.062 0.000 0.799 310 E CB -0.472 29.217 29.700 -0.018 0.000 0.752 310 E HN 0.320 nan 8.360 nan 0.000 0.449 311 V N 1.763 121.635 119.914 -0.070 0.000 2.287 311 V HA -0.271 3.870 4.120 0.036 0.000 0.248 311 V C 2.615 178.645 176.094 -0.105 0.000 1.053 311 V CA 1.508 63.770 62.300 -0.064 0.000 1.027 311 V CB -0.596 31.215 31.823 -0.020 0.000 0.646 311 V HN 0.217 nan 8.190 nan 0.000 0.447 312 L N -0.215 120.890 121.223 -0.196 0.000 2.046 312 L HA -0.223 4.139 4.340 0.036 0.000 0.208 312 L C 2.621 179.397 176.870 -0.156 0.000 1.077 312 L CA 2.019 56.725 54.840 -0.223 0.000 0.747 312 L CB -0.676 41.149 42.059 -0.390 0.000 0.896 312 L HN 0.338 nan 8.230 nan 0.000 0.432 313 K N 0.615 120.931 120.400 -0.140 0.000 2.026 313 K HA -0.198 4.144 4.320 0.036 0.000 0.208 313 K C 2.285 178.844 176.600 -0.069 0.000 1.048 313 K CA 1.450 57.681 56.287 -0.094 0.000 0.929 313 K CB -0.009 32.446 32.500 -0.075 0.000 0.713 313 K HN 0.224 nan 8.250 nan 0.000 0.439 314 R N 0.302 120.765 120.500 -0.061 0.000 2.120 314 R HA -0.058 4.304 4.340 0.036 0.000 0.234 314 R C 2.103 178.376 176.300 -0.046 0.000 1.123 314 R CA 1.062 57.137 56.100 -0.042 0.000 0.975 314 R CB -0.188 30.091 30.300 -0.035 0.000 0.866 314 R HN 0.254 nan 8.270 nan 0.000 0.446 315 L N 0.477 121.662 121.223 -0.064 0.000 2.591 315 L HA 0.130 4.492 4.340 0.036 0.000 0.228 315 L C 0.134 176.952 176.870 -0.087 0.000 1.133 315 L CA 0.093 54.893 54.840 -0.067 0.000 0.880 315 L CB -0.076 41.941 42.059 -0.069 0.000 1.033 315 L HN 0.166 nan 8.230 nan 0.000 0.450 316 R N -0.470 119.976 120.500 -0.090 0.000 3.423 316 R HA -0.181 4.181 4.340 0.036 0.000 0.271 316 R C -0.850 175.370 176.300 -0.133 0.000 1.093 316 R CA 0.212 56.243 56.100 -0.115 0.000 0.730 316 R CB -1.784 28.424 30.300 -0.153 0.000 1.190 316 R HN 0.113 nan 8.270 nan 0.000 0.437 317 L N 0.198 121.349 121.223 -0.120 0.000 2.279 317 L HA 0.517 4.879 4.340 0.036 0.000 0.262 317 L C 0.265 177.059 176.870 -0.126 0.000 1.019 317 L CA -0.464 54.305 54.840 -0.119 0.000 0.823 317 L CB 1.682 43.673 42.059 -0.112 0.000 1.358 317 L HN 0.239 nan 8.230 nan 0.000 0.432 318 Q N 0.213 119.944 119.800 -0.114 0.000 2.501 318 Q HA 0.739 5.101 4.340 0.036 0.000 0.288 318 Q C -1.663 174.273 176.000 -0.105 0.000 1.051 318 Q CA -1.090 54.642 55.803 -0.119 0.000 0.788 318 Q CB 2.836 31.528 28.738 -0.078 0.000 1.469 318 Q HN 0.531 nan 8.270 nan 0.000 0.416 319 K N 0.370 120.702 120.400 -0.112 0.000 2.400 319 K HA 0.786 5.127 4.320 0.036 0.000 0.246 319 K C -1.091 175.528 176.600 0.032 0.000 0.995 319 K CA -1.109 55.153 56.287 -0.042 0.000 0.840 319 K CB 2.538 34.964 32.500 -0.123 0.000 1.293 319 K HN 0.642 nan 8.250 nan 0.000 0.445 320 R N 0.521 121.091 120.500 0.116 0.000 2.564 320 R HA 0.360 4.721 4.340 0.036 0.000 0.284 320 R C -0.380 176.033 176.300 0.189 0.000 1.031 320 R CA -0.989 55.183 56.100 0.120 0.000 0.904 320 R CB 2.221 32.571 30.300 0.082 0.000 1.199 320 R HN 0.916 nan 8.270 nan 0.000 0.443 321 G N 0.785 109.689 108.800 0.174 0.000 2.634 321 G HA2 0.351 4.332 3.960 0.036 0.000 0.255 321 G HA3 0.351 4.332 3.960 0.036 0.000 0.255 321 G C -0.113 174.792 174.900 0.008 0.000 1.205 321 G CA -0.128 45.035 45.100 0.104 0.000 0.884 321 G HN 0.548 nan 8.290 nan 0.000 0.549 322 T N -3.006 111.494 114.554 -0.090 0.000 2.930 322 T HA 0.624 4.996 4.350 0.036 0.000 0.290 322 T C 0.393 175.070 174.700 -0.037 0.000 1.052 322 T CA -0.180 61.899 62.100 -0.035 0.000 1.017 322 T CB 2.245 71.098 68.868 -0.025 0.000 1.137 322 T HN 0.957 nan 8.240 nan 0.000 0.511 323 G N -0.423 108.381 108.800 0.006 0.000 4.250 323 G HA2 0.586 4.568 3.960 0.036 0.000 0.295 323 G HA3 0.586 4.568 3.960 0.036 0.000 0.295 323 G C 0.316 175.226 174.900 0.017 0.000 1.081 323 G CA -0.250 44.852 45.100 0.003 0.000 0.854 323 G HN 1.062 nan 8.290 nan 0.000 0.524 324 G N -1.023 107.792 108.800 0.025 0.000 2.753 324 G HA2 0.387 4.369 3.960 0.036 0.000 0.285 324 G HA3 0.387 4.369 3.960 0.036 0.000 0.285 324 G C 0.790 175.699 174.900 0.015 0.000 1.344 324 G CA 0.043 45.165 45.100 0.037 0.000 1.050 324 G HN 0.245 nan 8.290 nan 0.000 0.532 325 V N -0.225 119.700 119.914 0.018 0.000 2.809 325 V HA -0.051 4.090 4.120 0.036 0.000 0.256 325 V C 2.113 178.207 176.094 0.001 0.000 1.080 325 V CA 2.355 64.657 62.300 0.003 0.000 1.102 325 V CB -0.621 31.203 31.823 0.002 0.000 0.705 325 V HN 0.616 nan 8.190 nan 0.000 0.475 326 D N -0.127 120.287 120.400 0.024 0.000 2.088 326 D HA -0.187 4.475 4.640 0.036 0.000 0.191 326 D C 2.163 178.438 176.300 -0.042 0.000 0.992 326 D CA 2.258 56.272 54.000 0.024 0.000 0.831 326 D CB -0.643 40.236 40.800 0.132 0.000 0.973 326 D HN 0.461 nan 8.370 nan 0.000 0.447 327 T N -0.299 114.206 114.554 -0.082 0.000 2.915 327 T HA -0.046 4.326 4.350 0.036 0.000 0.269 327 T C 1.788 176.427 174.700 -0.101 0.000 1.071 327 T CA 1.472 63.480 62.100 -0.153 0.000 1.132 327 T CB -0.225 68.504 68.868 -0.232 0.000 0.878 327 T HN 0.145 nan 8.240 nan 0.000 0.479 328 A N 0.839 123.622 122.820 -0.063 0.000 1.902 328 A HA 0.211 4.553 4.320 0.036 0.000 0.217 328 A C 2.641 180.202 177.584 -0.039 0.000 1.181 328 A CA 1.972 53.983 52.037 -0.044 0.000 0.623 328 A CB -1.137 17.846 19.000 -0.028 0.000 0.818 328 A HN 0.623 nan 8.150 nan 0.000 0.443 329 A N -1.022 121.776 122.820 -0.035 0.000 1.930 329 A HA 0.175 4.517 4.320 0.036 0.000 0.215 329 A C 2.085 179.648 177.584 -0.035 0.000 1.176 329 A CA 1.484 53.503 52.037 -0.030 0.000 0.632 329 A CB -0.490 18.496 19.000 -0.024 0.000 0.819 329 A HN 0.371 nan 8.150 nan 0.000 0.445 330 V N -0.896 118.990 119.914 -0.047 0.000 2.788 330 V HA 0.220 4.361 4.120 0.036 0.000 0.251 330 V C 1.769 177.835 176.094 -0.046 0.000 1.068 330 V CA 1.022 63.293 62.300 -0.049 0.000 1.090 330 V CB -0.929 30.857 31.823 -0.062 0.000 0.710 330 V HN 1.079 nan 8.190 nan 0.000 0.467 331 G N 0.244 109.007 108.800 -0.062 0.000 2.212 331 G HA2 0.106 4.088 3.960 0.036 0.000 0.255 331 G HA3 0.106 4.088 3.960 0.036 0.000 0.255 331 G C 0.485 175.346 174.900 -0.065 0.000 1.062 331 G CA 0.065 45.133 45.100 -0.052 0.000 0.815 331 G HN 1.663 nan 8.290 nan 0.000 0.497 332 G N -2.074 106.631 108.800 -0.159 0.000 2.496 332 G HA2 0.457 4.439 3.960 0.036 0.000 0.220 332 G HA3 0.457 4.439 3.960 0.036 0.000 0.220 332 G C -0.694 173.948 174.900 -0.429 0.000 3.253 332 G CA 0.025 44.955 45.100 -0.283 0.000 0.843 332 G HN 1.313 nan 8.290 nan 0.000 0.512 333 V N 1.881 121.370 119.914 -0.709 0.000 2.495 333 V HA 0.850 4.992 4.120 0.036 0.000 0.298 333 V C -0.400 175.188 176.094 -0.842 0.000 1.031 333 V CA -0.629 61.337 62.300 -0.557 0.000 0.871 333 V CB 1.372 32.927 31.823 -0.448 0.000 0.988 333 V HN 0.464 nan 8.190 nan 0.000 0.432 334 F N 1.612 121.481 119.950 -0.135 0.000 2.577 334 F HA 0.517 5.064 4.527 0.034 0.000 0.318 334 F C -0.026 175.737 175.800 -0.061 0.000 1.065 334 F CA -1.044 56.928 58.000 -0.047 0.000 0.929 334 F CB 1.497 40.562 39.000 0.109 0.000 1.237 334 F HN 0.368 nan 8.300 nan 0.000 0.468 335 D N 1.899 122.411 120.400 0.186 0.000 2.396 335 D HA 0.416 5.078 4.640 0.036 0.000 0.225 335 D C -1.220 175.156 176.300 0.126 0.000 1.121 335 D CA -0.002 54.082 54.000 0.141 0.000 0.853 335 D CB 1.030 41.906 40.800 0.127 0.000 1.043 335 D HN 0.219 nan 8.370 nan 0.000 0.500 336 V N 3.491 123.467 119.914 0.103 0.000 2.417 336 V HA 0.626 4.768 4.120 0.036 0.000 0.291 336 V C 0.216 176.317 176.094 0.013 0.000 1.024 336 V CA -0.522 61.807 62.300 0.049 0.000 0.861 336 V CB 1.385 33.244 31.823 0.060 0.000 0.985 336 V HN 0.711 nan 8.190 nan 0.000 0.436 337 S N 3.198 118.885 115.700 -0.021 0.000 2.638 337 S HA 0.532 5.024 4.470 0.036 0.000 0.274 337 S C -0.829 173.728 174.600 -0.072 0.000 1.157 337 S CA -1.098 57.077 58.200 -0.042 0.000 0.826 337 S CB 1.703 64.884 63.200 -0.032 0.000 1.139 337 S HN 0.780 nan 8.310 nan 0.000 0.474 338 N N 0.376 119.021 118.700 -0.092 0.000 2.492 338 N HA 0.244 5.006 4.740 0.036 0.000 0.260 338 N C 0.848 176.293 175.510 -0.108 0.000 1.215 338 N CA 0.043 53.018 53.050 -0.124 0.000 0.923 338 N CB 1.113 39.509 38.487 -0.151 0.000 1.092 338 N HN 0.831 nan 8.380 nan 0.000 0.448 339 A N 1.560 124.305 122.820 -0.126 0.000 1.997 339 A HA 0.019 4.361 4.320 0.036 0.000 0.212 339 A C 0.463 177.999 177.584 -0.080 0.000 1.178 339 A CA 0.331 52.314 52.037 -0.090 0.000 0.698 339 A CB -0.007 18.942 19.000 -0.085 0.000 0.842 339 A HN 0.745 nan 8.150 nan 0.000 0.458 340 D N -0.636 119.669 120.400 -0.159 0.000 2.339 340 D HA 0.330 4.992 4.640 0.036 0.000 0.245 340 D C 0.625 176.906 176.300 -0.031 0.000 1.115 340 D CA -0.104 53.820 54.000 -0.126 0.000 0.917 340 D CB 0.933 41.435 40.800 -0.495 0.000 1.192 340 D HN 0.104 nan 8.370 nan 0.000 0.428 341 R N -0.000 120.547 120.500 0.079 0.000 2.562 341 R HA 0.169 4.531 4.340 0.036 0.000 0.191 341 R C -0.123 176.160 176.300 -0.029 0.000 0.835 341 R CA -0.155 55.972 56.100 0.044 0.000 1.036 341 R CB 0.046 30.390 30.300 0.074 0.000 1.437 341 R HN 0.279 nan 8.270 nan 0.000 0.654 342 L N 0.027 121.155 121.223 -0.159 0.000 2.346 342 L HA 0.614 4.976 4.340 0.036 0.000 0.276 342 L C 0.587 177.374 176.870 -0.138 0.000 1.006 342 L CA 0.775 55.366 54.840 -0.414 0.000 0.817 342 L CB 1.870 43.238 42.059 -1.152 0.000 1.272 342 L HN 0.557 nan 8.230 nan 0.000 0.421 343 G N 2.589 111.416 108.800 0.045 0.000 2.176 343 G HA2 -0.238 3.744 3.960 0.036 0.000 0.232 343 G HA3 -0.238 3.744 3.960 0.036 0.000 0.232 343 G C -0.180 174.582 174.900 -0.231 0.000 0.986 343 G CA 0.230 45.339 45.100 0.016 0.000 0.643 343 G HN 0.439 nan 8.290 nan 0.000 0.522 344 F N 1.481 121.458 119.950 0.046 0.000 2.565 344 F HA 0.670 5.218 4.527 0.035 0.000 0.313 344 F C 0.760 176.557 175.800 -0.006 0.000 1.091 344 F CA -0.409 57.596 58.000 0.008 0.000 0.915 344 F CB 2.034 41.049 39.000 0.026 0.000 1.208 344 F HN 0.268 nan 8.300 nan 0.000 0.453 345 S N 0.667 116.440 115.700 0.123 0.000 2.614 345 S HA 0.223 4.715 4.470 0.036 0.000 0.265 345 S C 0.858 175.563 174.600 0.176 0.000 1.303 345 S CA -0.503 57.754 58.200 0.095 0.000 1.000 345 S CB 1.210 64.448 63.200 0.064 0.000 0.935 345 S HN 0.670 nan 8.310 nan 0.000 0.551 346 E N 0.788 121.129 120.200 0.236 0.000 2.085 346 E HA -0.097 4.274 4.350 0.036 0.000 0.194 346 E C 1.940 178.567 176.600 0.046 0.000 0.994 346 E CA 1.325 57.863 56.400 0.231 0.000 0.801 346 E CB -0.638 29.340 29.700 0.463 0.000 0.743 346 E HN 0.493 nan 8.360 nan 0.000 0.453 347 V N 1.128 121.105 119.914 0.105 0.000 2.295 347 V HA -0.287 3.854 4.120 0.036 0.000 0.246 347 V C 1.954 178.000 176.094 -0.079 0.000 1.049 347 V CA 2.111 64.389 62.300 -0.038 0.000 1.024 347 V CB -0.451 31.435 31.823 0.104 0.000 0.648 347 V HN 0.299 nan 8.190 nan 0.000 0.447 348 E N -0.391 119.821 120.200 0.020 0.000 2.110 348 E HA -0.228 4.144 4.350 0.036 0.000 0.193 348 E C 2.143 178.733 176.600 -0.017 0.000 0.988 348 E CA 1.045 57.473 56.400 0.046 0.000 0.804 348 E CB -0.185 29.618 29.700 0.171 0.000 0.745 348 E HN 0.306 nan 8.360 nan 0.000 0.458 349 L N 0.359 121.557 121.223 -0.041 0.000 2.027 349 L HA -0.146 4.215 4.340 0.036 0.000 0.206 349 L C 2.321 179.080 176.870 -0.186 0.000 1.074 349 L CA 1.288 56.053 54.840 -0.125 0.000 0.745 349 L CB -0.681 41.327 42.059 -0.085 0.000 0.898 349 L HN 0.021 nan 8.230 nan 0.000 0.433 350 V N -1.096 118.651 119.914 -0.278 0.000 2.515 350 V HA -0.273 3.869 4.120 0.036 0.000 0.250 350 V C 2.495 178.444 176.094 -0.242 0.000 1.058 350 V CA 1.365 63.453 62.300 -0.354 0.000 1.064 350 V CB -0.526 30.865 31.823 -0.719 0.000 0.675 350 V HN 0.448 nan 8.190 nan 0.000 0.461 351 Q N -0.055 119.629 119.800 -0.195 0.000 2.084 351 Q HA -0.144 4.217 4.340 0.036 0.000 0.202 351 Q C 2.128 178.073 176.000 -0.091 0.000 0.978 351 Q CA 1.904 57.637 55.803 -0.117 0.000 0.844 351 Q CB -0.327 28.369 28.738 -0.071 0.000 0.898 351 Q HN 0.572 nan 8.270 nan 0.000 0.426 352 M N -1.180 118.360 119.600 -0.100 0.000 2.213 352 M HA -0.150 4.351 4.480 0.036 0.000 0.263 352 M C 1.914 178.157 176.300 -0.095 0.000 1.062 352 M CA 1.013 56.255 55.300 -0.096 0.000 1.105 352 M CB -0.099 32.420 32.600 -0.134 0.000 1.385 352 M HN 0.103 nan 8.290 nan 0.000 0.417 353 V N -0.420 119.429 119.914 -0.109 0.000 2.323 353 V HA -0.182 3.959 4.120 0.036 0.000 0.244 353 V C 2.356 178.411 176.094 -0.066 0.000 1.041 353 V CA 1.319 63.566 62.300 -0.089 0.000 1.025 353 V CB -0.469 31.294 31.823 -0.099 0.000 0.656 353 V HN 0.232 nan 8.190 nan 0.000 0.451 354 V N 0.481 120.351 119.914 -0.073 0.000 2.287 354 V HA -0.284 3.858 4.120 0.036 0.000 0.248 354 V C 2.297 178.367 176.094 -0.039 0.000 1.053 354 V CA 2.379 64.648 62.300 -0.050 0.000 1.027 354 V CB -0.706 31.084 31.823 -0.055 0.000 0.646 354 V HN 0.568 nan 8.190 nan 0.000 0.447 355 D N 0.415 120.789 120.400 -0.044 0.000 2.117 355 D HA -0.089 4.573 4.640 0.036 0.000 0.198 355 D C 2.187 178.464 176.300 -0.038 0.000 0.982 355 D CA 1.590 55.568 54.000 -0.036 0.000 0.828 355 D CB -0.702 40.078 40.800 -0.034 0.000 0.967 355 D HN 0.463 nan 8.370 nan 0.000 0.464 356 G N 0.743 109.516 108.800 -0.045 0.000 2.421 356 G HA2 -0.196 3.785 3.960 0.036 0.000 0.216 356 G HA3 -0.196 3.785 3.960 0.036 0.000 0.216 356 G C 1.873 176.752 174.900 -0.035 0.000 1.171 356 G CA 0.747 45.821 45.100 -0.044 0.000 0.775 356 G HN 0.221 nan 8.290 nan 0.000 0.543 357 V N 0.963 120.859 119.914 -0.029 0.000 2.287 357 V HA -0.227 3.914 4.120 0.036 0.000 0.248 357 V C 2.805 178.878 176.094 -0.034 0.000 1.053 357 V CA 2.396 64.686 62.300 -0.017 0.000 1.027 357 V CB -0.480 31.342 31.823 -0.003 0.000 0.646 357 V HN 0.381 nan 8.190 nan 0.000 0.447 358 K N -0.438 119.941 120.400 -0.035 0.000 2.152 358 K HA -0.198 4.143 4.320 0.036 0.000 0.206 358 K C 2.026 178.587 176.600 -0.064 0.000 1.048 358 K CA 1.439 57.698 56.287 -0.046 0.000 0.933 358 K CB -0.327 32.154 32.500 -0.031 0.000 0.721 358 K HN 0.309 nan 8.250 nan 0.000 0.447 359 L N 0.649 121.838 121.223 -0.055 0.000 2.131 359 L HA -0.065 4.297 4.340 0.036 0.000 0.206 359 L C 1.714 178.537 176.870 -0.077 0.000 1.087 359 L CA 1.334 56.137 54.840 -0.061 0.000 0.767 359 L CB -0.256 41.775 42.059 -0.048 0.000 0.917 359 L HN -0.003 nan 8.230 nan 0.000 0.441 360 L N -0.286 120.899 121.223 -0.065 0.000 2.042 360 L HA -0.203 4.159 4.340 0.036 0.000 0.210 360 L C 2.432 179.212 176.870 -0.149 0.000 1.076 360 L CA 1.835 56.636 54.840 -0.066 0.000 0.749 360 L CB -0.806 41.250 42.059 -0.006 0.000 0.893 360 L HN 0.246 nan 8.230 nan 0.000 0.432 361 I N -1.047 119.406 120.570 -0.195 0.000 2.315 361 I HA -0.266 3.926 4.170 0.036 0.000 0.248 361 I C 2.337 178.250 176.117 -0.339 0.000 1.117 361 I CA 1.012 62.078 61.300 -0.390 0.000 1.404 361 I CB -0.293 37.482 38.000 -0.375 0.000 1.071 361 I HN 0.356 nan 8.210 nan 0.000 0.419 362 E N 0.654 120.735 120.200 -0.197 0.000 2.077 362 E HA -0.224 4.147 4.350 0.036 0.000 0.193 362 E C 2.325 178.845 176.600 -0.133 0.000 0.989 362 E CA 1.360 57.674 56.400 -0.142 0.000 0.800 362 E CB -0.119 29.525 29.700 -0.093 0.000 0.746 362 E HN 0.496 nan 8.360 nan 0.000 0.452 363 M N 0.398 119.918 119.600 -0.134 0.000 2.117 363 M HA -0.161 4.341 4.480 0.036 0.000 0.262 363 M C 2.312 178.533 176.300 -0.131 0.000 1.065 363 M CA 1.178 56.402 55.300 -0.127 0.000 1.114 363 M CB -0.178 32.340 32.600 -0.137 0.000 1.361 363 M HN -0.043 nan 8.290 nan 0.000 0.408 364 E N 1.069 121.167 120.200 -0.171 0.000 2.051 364 E HA -0.209 4.163 4.350 0.036 0.000 0.192 364 E C 1.861 178.405 176.600 -0.094 0.000 0.991 364 E CA 1.768 58.079 56.400 -0.148 0.000 0.799 364 E CB -0.172 29.393 29.700 -0.225 0.000 0.748 364 E HN 0.506 nan 8.360 nan 0.000 0.449 365 Q N -0.583 119.134 119.800 -0.138 0.000 2.170 365 Q HA -0.093 4.269 4.340 0.036 0.000 0.203 365 Q C 2.226 178.211 176.000 -0.025 0.000 0.976 365 Q CA 0.907 56.680 55.803 -0.051 0.000 0.858 365 Q CB -0.029 28.669 28.738 -0.068 0.000 0.907 365 Q HN 0.104 nan 8.270 nan 0.000 0.433 366 R N 0.616 121.089 120.500 -0.044 0.000 2.066 366 R HA -0.046 4.316 4.340 0.036 0.000 0.232 366 R C 2.244 178.539 176.300 -0.008 0.000 1.131 366 R CA 0.988 57.073 56.100 -0.026 0.000 0.955 366 R CB -0.659 29.618 30.300 -0.037 0.000 0.851 366 R HN 0.317 nan 8.270 nan 0.000 0.432 367 L N 0.894 122.111 121.223 -0.010 0.000 2.191 367 L HA -0.145 4.217 4.340 0.036 0.000 0.212 367 L C 2.160 179.041 176.870 0.018 0.000 1.103 367 L CA 1.203 56.051 54.840 0.014 0.000 0.769 367 L CB -0.372 41.698 42.059 0.019 0.000 0.908 367 L HN 0.244 nan 8.230 nan 0.000 0.438 368 E N -0.261 119.950 120.200 0.019 0.000 2.106 368 E HA -0.194 4.178 4.350 0.036 0.000 0.192 368 E C 1.721 178.335 176.600 0.022 0.000 0.984 368 E CA 0.704 57.122 56.400 0.030 0.000 0.806 368 E CB -0.010 29.721 29.700 0.052 0.000 0.750 368 E HN 0.456 nan 8.360 nan 0.000 0.458 369 Q N -0.302 119.509 119.800 0.017 0.000 2.415 369 Q HA 0.039 4.401 4.340 0.036 0.000 0.206 369 Q C 1.032 177.039 176.000 0.012 0.000 0.946 369 Q CA 0.719 56.530 55.803 0.013 0.000 0.951 369 Q CB 0.650 29.393 28.738 0.010 0.000 1.026 369 Q HN 0.450 nan 8.270 nan 0.000 0.510 370 G N 1.176 109.984 108.800 0.014 0.000 2.168 370 G HA2 -0.322 3.659 3.960 0.036 0.000 0.257 370 G HA3 -0.322 3.659 3.960 0.036 0.000 0.257 370 G C 0.145 175.055 174.900 0.016 0.000 0.997 370 G CA 0.571 45.680 45.100 0.014 0.000 0.708 370 G HN 0.407 nan 8.290 nan 0.000 0.520 371 Q N -0.500 119.309 119.800 0.015 0.000 2.185 371 Q HA 0.732 5.093 4.340 0.036 0.000 0.225 371 Q C 0.627 176.643 176.000 0.026 0.000 0.983 371 Q CA -0.182 55.630 55.803 0.015 0.000 0.950 371 Q CB 1.108 29.850 28.738 0.006 0.000 1.176 371 Q HN 0.655 nan 8.270 nan 0.000 0.510 372 A N 0.672 123.507 122.820 0.025 0.000 2.279 372 A HA 0.471 4.813 4.320 0.036 0.000 0.303 372 A C 0.390 177.980 177.584 0.009 0.000 1.108 372 A CA -0.509 51.552 52.037 0.040 0.000 0.830 372 A CB 0.065 19.088 19.000 0.038 0.000 1.106 372 A HN 0.816 nan 8.150 nan 0.000 0.493 373 I N -2.515 118.050 120.570 -0.008 0.000 4.081 373 I HA 0.206 4.398 4.170 0.036 0.000 0.333 373 I C 0.178 176.262 176.117 -0.055 0.000 1.413 373 I CA -0.016 61.247 61.300 -0.063 0.000 1.110 373 I CB 0.235 38.143 38.000 -0.153 0.000 1.082 373 I HN 0.481 nan 8.210 nan 0.000 0.402 374 D N 3.335 123.724 120.400 -0.019 0.000 2.133 374 D HA -0.243 4.419 4.640 0.036 0.000 0.195 374 D C 1.529 177.820 176.300 -0.016 0.000 0.997 374 D CA 2.280 56.275 54.000 -0.010 0.000 0.840 374 D CB -0.135 40.672 40.800 0.011 0.000 0.947 374 D HN 0.665 nan 8.370 nan 0.000 0.452 375 D N 0.652 121.043 120.400 -0.015 0.000 2.350 375 D HA -0.132 4.529 4.640 0.036 0.000 0.216 375 D C 2.029 178.316 176.300 -0.022 0.000 0.968 375 D CA 0.350 54.341 54.000 -0.015 0.000 0.894 375 D CB -0.341 40.452 40.800 -0.011 0.000 0.909 375 D HN 0.304 nan 8.370 nan 0.000 0.520 376 L N -0.622 120.581 121.223 -0.033 0.000 2.554 376 L HA 0.133 4.495 4.340 0.036 0.000 0.225 376 L C 0.924 177.768 176.870 -0.043 0.000 1.104 376 L CA -0.272 54.543 54.840 -0.041 0.000 0.866 376 L CB -0.032 41.995 42.059 -0.054 0.000 1.047 376 L HN -0.105 nan 8.230 nan 0.000 0.468 377 M N 2.880 122.454 119.600 -0.043 0.000 2.290 377 M HA 0.079 4.581 4.480 0.036 0.000 0.356 377 M C -1.964 174.319 176.300 -0.029 0.000 1.448 377 M CA -0.888 54.387 55.300 -0.040 0.000 0.993 377 M CB -0.568 32.013 32.600 -0.032 0.000 1.934 377 M HN -0.093 nan 8.290 nan 0.000 0.461 378 P HA 0.525 nan 4.420 nan 0.000 0.280 378 P C -1.273 176.017 177.300 -0.017 0.000 1.272 378 P CA -0.641 62.446 63.100 -0.023 0.000 0.819 378 P CB 1.040 32.724 31.700 -0.027 0.000 1.122 379 A N 0.922 123.735 122.820 -0.011 0.000 2.293 379 A HA 0.333 4.675 4.320 0.036 0.000 0.302 379 A C 0.262 177.843 177.584 -0.005 0.000 1.119 379 A CA -0.432 51.602 52.037 -0.006 0.000 0.823 379 A CB 0.116 19.116 19.000 -0.001 0.000 1.097 379 A HN 0.534 nan 8.150 nan 0.000 0.491 380 Q N 1.118 120.917 119.800 -0.002 0.000 2.269 380 Q HA 0.132 4.493 4.340 0.036 0.000 0.300 380 Q C 0.169 176.176 176.000 0.011 0.000 1.070 380 Q CA 1.054 56.857 55.803 0.001 0.000 0.957 380 Q CB 0.131 28.873 28.738 0.007 0.000 1.131 380 Q HN 0.647 nan 8.270 nan 0.000 0.377 381 K N 0.000 120.406 120.400 0.010 0.000 2.780 381 K HA 0.000 4.342 4.320 0.036 0.000 0.191 381 K CA 0.000 56.304 56.287 0.028 0.000 0.838 381 K CB 0.000 32.510 32.500 0.016 0.000 1.064 381 K HN 0.000 nan 8.250 nan 0.000 0.543