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 2j4g_1_A DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDLPA VYQLNGGEEA NPHAVKVLKE LLSGKQSSKK DATA SEQUENCE GMLISIGEKG DKSVRKYSRQ IPDHKEGYYL SVNEKEIVLA GNDERGTYYA DATA SEQUENCE LQTFAQLLKD GKLPEVEIKD YPSVRYRGVV EGFYGTPWSH QARLSQLKFY DATA SEQUENCE GKNKMNTYIY GPKDDPYHSA PNWRLPYPDK EAAQLQELVA VANENEVDFV DATA SEQUENCE WAIHPGQDIK WNKEDRDLLL AKFEKMYQLG VRSFAVFFDD ISGEGTNPQK DATA SEQUENCE QAELLNYIDE KFAQVKPDIN QLVMCPTEYN KSWSNPNGNY LTTLGDKLNP DATA SEQUENCE SIQIMWTGDR VISDITRDGI SWINERIKRP AYIWWNFPVS DYVRDHLLLG DATA SEQUENCE PVYGNDTTIA KEMSGFVTNP MEHAESSKIA IYSVASYAWN PAKYDTWQTW DATA SEQUENCE KDAIRTILPS AAEELECFAM HNSDLGPNGH GYRREESMDI QPAAERFLKA DATA SEQUENCE FKEGKNYDKA DFETLQYTFE RMKESADILL MNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEMGEEVL KMVEGRNESY FLRKYNHVKA LQQQMFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATTD 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.610 174.600 0.017 0.000 1.055 4 S CA 0.000 58.215 58.200 0.025 0.000 1.107 4 S CB 0.000 63.231 63.200 0.052 0.000 0.593 5 L N 4.356 125.570 121.223 -0.014 0.000 2.417 5 L HA 0.617 4.911 4.340 -0.077 0.000 0.268 5 L C -0.126 176.709 176.870 -0.060 0.000 1.158 5 L CA -0.207 54.601 54.840 -0.053 0.000 0.819 5 L CB 0.406 42.429 42.059 -0.060 0.000 1.112 5 L HN 0.753 nan 8.230 nan 0.000 0.458 6 Q N 0.133 119.855 119.800 -0.130 0.000 1.884 6 Q HA 0.014 4.308 4.340 -0.077 0.000 0.259 6 Q C -2.587 173.168 176.000 -0.409 0.000 0.625 6 Q CA -0.679 54.986 55.803 -0.230 0.000 0.392 6 Q CB -1.154 27.509 28.738 -0.124 0.000 0.495 6 Q HN 0.344 nan 8.270 nan 0.000 0.321 7 P HA 0.291 nan 4.420 nan 0.000 0.272 7 P C -2.353 174.807 177.300 -0.233 0.000 1.230 7 P CA -1.082 61.818 63.100 -0.334 0.000 0.788 7 P CB 0.076 31.538 31.700 -0.396 0.000 0.949 8 P HA 0.220 nan 4.420 nan 0.000 0.276 8 P C -2.431 174.888 177.300 0.032 0.000 1.235 8 P CA -1.724 61.367 63.100 -0.016 0.000 0.772 8 P CB -0.836 30.878 31.700 0.023 0.000 0.871 9 P HA 0.024 nan 4.420 nan 0.000 0.269 9 P C 0.970 178.267 177.300 -0.004 0.000 1.215 9 P CA 0.061 63.200 63.100 0.065 0.000 0.780 9 P CB 0.621 32.344 31.700 0.039 0.000 0.898 10 Q N 0.443 120.178 119.800 -0.109 0.000 2.096 10 Q HA -0.149 4.145 4.340 -0.077 0.000 0.204 10 Q C 0.701 176.635 176.000 -0.111 0.000 0.982 10 Q CA 1.669 57.327 55.803 -0.242 0.000 0.850 10 Q CB 0.052 28.421 28.738 -0.615 0.000 0.901 10 Q HN 0.600 nan 8.270 nan 0.000 0.422 11 Q N -0.238 119.524 119.800 -0.064 0.000 2.305 11 Q HA 0.513 4.807 4.340 -0.077 0.000 0.271 11 Q C -1.976 174.029 176.000 0.009 0.000 1.046 11 Q CA -0.482 55.317 55.803 -0.008 0.000 0.798 11 Q CB 1.608 30.363 28.738 0.028 0.000 1.286 11 Q HN 0.106 nan 8.270 nan 0.000 0.435 12 L N 4.760 125.993 121.223 0.016 0.000 2.464 12 L HA 0.627 4.921 4.340 -0.077 0.000 0.266 12 L C -2.044 174.841 176.870 0.025 0.000 0.965 12 L CA -0.225 54.627 54.840 0.021 0.000 0.833 12 L CB 1.980 44.047 42.059 0.013 0.000 1.296 12 L HN 0.669 nan 8.230 nan 0.000 0.405 13 I N 5.766 126.354 120.570 0.031 0.000 2.439 13 I HA 0.476 4.600 4.170 -0.077 0.000 0.285 13 I C -0.887 175.245 176.117 0.026 0.000 1.021 13 I CA -0.883 60.436 61.300 0.031 0.000 1.091 13 I CB 1.979 40.005 38.000 0.044 0.000 1.242 13 I HN 0.285 nan 8.210 nan 0.000 0.439 14 V N 5.613 125.539 119.914 0.019 0.000 2.370 14 V HA 0.344 4.418 4.120 -0.077 0.000 0.283 14 V C -0.029 176.074 176.094 0.016 0.000 1.023 14 V CA -0.807 61.502 62.300 0.015 0.000 0.857 14 V CB 1.231 33.060 31.823 0.009 0.000 0.985 14 V HN 0.585 nan 8.190 nan 0.000 0.443 15 Q N 3.017 122.827 119.800 0.017 0.000 2.259 15 Q HA 0.358 4.652 4.340 -0.077 0.000 0.249 15 Q C 0.467 176.474 176.000 0.011 0.000 0.914 15 Q CA -0.364 55.449 55.803 0.016 0.000 0.904 15 Q CB 1.008 29.758 28.738 0.020 0.000 1.213 15 Q HN 0.577 nan 8.270 nan 0.000 0.428 16 N N 1.176 119.882 118.700 0.010 0.000 2.515 16 N HA -0.048 4.646 4.740 -0.077 0.000 0.191 16 N C 0.204 175.717 175.510 0.006 0.000 1.182 16 N CA 0.254 53.308 53.050 0.007 0.000 0.879 16 N CB 0.447 38.938 38.487 0.006 0.000 0.984 16 N HN 0.408 nan 8.380 nan 0.000 0.453 17 K N 1.258 121.663 120.400 0.008 0.000 2.202 17 K HA 0.093 4.367 4.320 -0.077 0.000 0.264 17 K C -0.029 176.574 176.600 0.005 0.000 1.010 17 K CA -0.072 56.220 56.287 0.008 0.000 0.940 17 K CB 0.638 33.146 32.500 0.013 0.000 0.983 17 K HN -0.009 nan 8.250 nan 0.000 0.475 18 T N 1.764 116.320 114.554 0.003 0.000 2.886 18 T HA 0.545 4.849 4.350 -0.077 0.000 0.292 18 T C -0.181 174.521 174.700 0.003 0.000 1.012 18 T CA -1.014 61.085 62.100 -0.001 0.000 0.982 18 T CB 0.614 69.477 68.868 -0.009 0.000 1.018 18 T HN 0.596 nan 8.240 nan 0.000 0.451 19 I N -0.787 119.786 120.570 0.004 0.000 2.863 19 I HA 0.824 4.948 4.170 -0.077 0.000 0.311 19 I C -0.992 175.128 176.117 0.006 0.000 1.026 19 I CA -1.038 60.269 61.300 0.011 0.000 1.077 19 I CB 1.601 39.615 38.000 0.022 0.000 1.262 19 I HN 0.413 nan 8.210 nan 0.000 0.461 20 D N 2.852 123.260 120.400 0.013 0.000 2.302 20 D HA 0.354 4.948 4.640 -0.077 0.000 0.248 20 D C -0.550 175.762 176.300 0.020 0.000 1.094 20 D CA -0.137 53.870 54.000 0.011 0.000 0.897 20 D CB 1.433 42.242 40.800 0.016 0.000 1.200 20 D HN 0.520 nan 8.370 nan 0.000 0.429 21 L N 5.003 126.231 121.223 0.009 0.000 2.513 21 L HA 0.231 4.525 4.340 -0.077 0.000 0.272 21 L C -2.042 174.857 176.870 0.048 0.000 1.187 21 L CA -1.009 53.845 54.840 0.023 0.000 0.895 21 L CB 0.041 42.094 42.059 -0.010 0.000 1.147 21 L HN 0.304 nan 8.230 nan 0.000 0.483 22 P HA 0.004 nan 4.420 nan 0.000 0.262 22 P C 0.107 177.490 177.300 0.139 0.000 1.199 22 P CA 0.233 63.400 63.100 0.113 0.000 0.763 22 P CB 0.832 32.629 31.700 0.162 0.000 0.790 23 A N 4.384 127.263 122.820 0.098 0.000 1.883 23 A HA -0.063 4.211 4.320 -0.077 0.000 0.217 23 A C 1.051 178.696 177.584 0.102 0.000 1.186 23 A CA 1.447 53.535 52.037 0.086 0.000 0.624 23 A CB -0.409 18.621 19.000 0.050 0.000 0.822 23 A HN 0.478 nan 8.150 nan 0.000 0.444 24 V N -0.351 119.618 119.914 0.091 0.000 2.656 24 V HA 0.640 4.714 4.120 -0.077 0.000 0.307 24 V C -1.204 174.949 176.094 0.098 0.000 1.051 24 V CA -0.834 61.489 62.300 0.038 0.000 0.893 24 V CB 1.758 33.569 31.823 -0.022 0.000 0.999 24 V HN 0.600 nan 8.190 nan 0.000 0.426 25 Y N 2.790 123.101 120.300 0.017 0.000 2.615 25 Y HA 0.733 5.237 4.550 -0.077 0.000 0.341 25 Y C -0.793 175.116 175.900 0.015 0.000 1.089 25 Y CA -1.124 56.987 58.100 0.018 0.000 1.049 25 Y CB 1.837 40.310 38.460 0.021 0.000 1.296 25 Y HN 0.530 nan 8.280 nan 0.000 0.470 26 Q N 2.744 122.682 119.800 0.231 0.000 2.339 26 Q HA 0.449 4.743 4.340 -0.077 0.000 0.268 26 Q C -2.049 174.094 176.000 0.238 0.000 1.027 26 Q CA -1.064 54.823 55.803 0.140 0.000 0.759 26 Q CB 1.627 30.410 28.738 0.075 0.000 1.244 26 Q HN 0.836 nan 8.270 nan 0.000 0.464 27 L N 4.674 126.055 121.223 0.263 0.000 2.281 27 L HA 0.385 4.679 4.340 -0.077 0.000 0.285 27 L C -0.999 175.933 176.870 0.104 0.000 1.074 27 L CA 0.374 55.333 54.840 0.198 0.000 0.817 27 L CB 1.009 43.212 42.059 0.239 0.000 1.168 27 L HN 0.658 nan 8.230 nan 0.000 0.434 28 N N 3.790 122.535 118.700 0.074 0.000 2.407 28 N HA 0.499 5.193 4.740 -0.077 0.000 0.277 28 N C 0.491 176.029 175.510 0.046 0.000 0.995 28 N CA 0.354 53.440 53.050 0.060 0.000 0.903 28 N CB 1.146 39.675 38.487 0.070 0.000 1.218 28 N HN 0.901 nan 8.380 nan 0.000 0.487 29 G N 2.234 111.058 108.800 0.040 0.000 2.179 29 G HA2 -0.241 3.673 3.960 -0.077 0.000 0.220 29 G HA3 -0.241 3.673 3.960 -0.077 0.000 0.220 29 G C 0.971 175.883 174.900 0.021 0.000 0.990 29 G CA 0.166 45.285 45.100 0.031 0.000 0.646 29 G HN 0.757 nan 8.290 nan 0.000 0.517 30 G N 0.067 108.882 108.800 0.025 0.000 2.517 30 G HA2 -0.062 3.852 3.960 -0.077 0.000 0.222 30 G HA3 -0.062 3.852 3.960 -0.077 0.000 0.222 30 G C 1.237 176.145 174.900 0.014 0.000 1.109 30 G CA 1.673 46.786 45.100 0.022 0.000 0.746 30 G HN 0.500 nan 8.290 nan 0.000 0.576 31 E N -0.747 119.461 120.200 0.013 0.000 2.489 31 E HA 0.133 4.437 4.350 -0.077 0.000 0.204 31 E C 1.787 178.387 176.600 0.001 0.000 1.006 31 E CA 0.051 56.455 56.400 0.006 0.000 0.936 31 E CB 0.649 30.354 29.700 0.009 0.000 1.002 31 E HN 0.610 nan 8.360 nan 0.000 0.488 32 E N -0.083 120.120 120.200 0.004 0.000 2.372 32 E HA 0.219 4.523 4.350 -0.077 0.000 0.201 32 E C 0.478 177.078 176.600 -0.000 0.000 0.938 32 E CA -0.016 56.387 56.400 0.004 0.000 0.944 32 E CB 0.713 30.421 29.700 0.014 0.000 0.937 32 E HN 0.056 nan 8.360 nan 0.000 0.495 33 A N 1.265 124.085 122.820 -0.000 0.000 2.259 33 A HA 0.188 4.462 4.320 -0.077 0.000 0.278 33 A C 0.150 177.720 177.584 -0.023 0.000 1.107 33 A CA -0.467 51.568 52.037 -0.002 0.000 0.828 33 A CB 0.248 19.249 19.000 0.002 0.000 1.111 33 A HN 0.159 nan 8.150 nan 0.000 0.498 34 N N 1.012 119.698 118.700 -0.023 0.000 2.417 34 N HA 0.032 4.726 4.740 -0.077 0.000 0.272 34 N C -1.538 173.928 175.510 -0.074 0.000 1.304 34 N CA -1.533 51.479 53.050 -0.063 0.000 0.906 34 N CB 0.620 39.097 38.487 -0.017 0.000 1.135 34 N HN 0.207 nan 8.380 nan 0.000 0.483 35 P HA -0.176 nan 4.420 nan 0.000 0.217 35 P C 0.516 177.797 177.300 -0.032 0.000 1.148 35 P CA 1.637 64.666 63.100 -0.119 0.000 0.828 35 P CB -0.006 31.587 31.700 -0.177 0.000 0.783 36 H N -0.341 118.742 119.070 0.021 0.000 2.387 36 H HA 0.001 4.511 4.556 -0.076 0.000 0.299 36 H C 2.150 177.618 175.328 0.234 0.000 1.090 36 H CA 0.935 57.020 56.048 0.061 0.000 1.332 36 H CB -0.343 29.338 29.762 -0.135 0.000 1.386 36 H HN 0.134 nan 8.280 nan 0.000 0.516 37 A N 0.697 123.698 122.820 0.303 0.000 1.872 37 A HA -0.091 4.183 4.320 -0.077 0.000 0.214 37 A C 2.559 180.194 177.584 0.086 0.000 1.187 37 A CA 1.203 53.364 52.037 0.207 0.000 0.614 37 A CB -0.688 18.381 19.000 0.116 0.000 0.826 37 A HN 0.203 nan 8.150 nan 0.000 0.442 38 V N 0.440 120.386 119.914 0.054 0.000 2.332 38 V HA -0.306 3.768 4.120 -0.077 0.000 0.248 38 V C 2.478 178.596 176.094 0.040 0.000 1.055 38 V CA 2.426 64.740 62.300 0.024 0.000 1.038 38 V CB -0.771 31.060 31.823 0.013 0.000 0.651 38 V HN 0.633 nan 8.190 nan 0.000 0.450 39 K N 0.044 120.488 120.400 0.073 0.000 2.001 39 K HA -0.216 4.058 4.320 -0.077 0.000 0.214 39 K C 2.098 178.739 176.600 0.069 0.000 1.050 39 K CA 2.202 58.537 56.287 0.080 0.000 0.934 39 K CB -0.399 32.172 32.500 0.119 0.000 0.718 39 K HN 0.320 nan 8.250 nan 0.000 0.443 40 V N 1.554 121.519 119.914 0.085 0.000 2.282 40 V HA -0.282 3.792 4.120 -0.077 0.000 0.249 40 V C 2.317 178.427 176.094 0.026 0.000 1.057 40 V CA 1.855 64.181 62.300 0.043 0.000 1.032 40 V CB -0.562 31.258 31.823 -0.005 0.000 0.645 40 V HN 0.395 nan 8.190 nan 0.000 0.447 41 L N 0.162 121.394 121.223 0.015 0.000 2.046 41 L HA -0.153 4.141 4.340 -0.077 0.000 0.208 41 L C 2.362 179.225 176.870 -0.012 0.000 1.077 41 L CA 1.962 56.800 54.840 -0.003 0.000 0.747 41 L CB -0.788 41.230 42.059 -0.068 0.000 0.896 41 L HN 0.216 nan 8.230 nan 0.000 0.432 42 K N -0.536 119.864 120.400 -0.001 0.000 2.148 42 K HA -0.159 4.115 4.320 -0.077 0.000 0.204 42 K C 1.949 178.561 176.600 0.021 0.000 1.050 42 K CA 1.546 57.840 56.287 0.013 0.000 0.942 42 K CB -0.078 32.444 32.500 0.036 0.000 0.724 42 K HN 0.497 nan 8.250 nan 0.000 0.446 43 E N 0.831 121.043 120.200 0.021 0.000 2.072 43 E HA -0.120 4.184 4.350 -0.077 0.000 0.191 43 E C 1.867 178.471 176.600 0.007 0.000 0.985 43 E CA 0.784 57.195 56.400 0.018 0.000 0.801 43 E CB -0.012 29.699 29.700 0.018 0.000 0.750 43 E HN 0.195 nan 8.360 nan 0.000 0.452 44 L N 0.579 121.806 121.223 0.006 0.000 2.275 44 L HA -0.089 4.205 4.340 -0.077 0.000 0.215 44 L C 0.270 177.134 176.870 -0.010 0.000 1.119 44 L CA 0.115 54.951 54.840 -0.006 0.000 0.790 44 L CB -0.009 42.062 42.059 0.021 0.000 0.919 44 L HN 0.073 nan 8.230 nan 0.000 0.443 45 L N -0.557 120.659 121.223 -0.012 0.000 2.282 45 L HA 0.252 4.546 4.340 -0.077 0.000 0.288 45 L C 0.068 176.970 176.870 0.053 0.000 1.033 45 L CA 0.249 55.079 54.840 -0.017 0.000 0.807 45 L CB 1.467 43.441 42.059 -0.141 0.000 1.209 45 L HN -0.176 nan 8.230 nan 0.000 0.423 46 S N 2.731 118.476 115.700 0.076 0.000 2.505 46 S HA 0.576 5.000 4.470 -0.077 0.000 0.280 46 S C 0.633 175.316 174.600 0.138 0.000 1.197 46 S CA -0.475 57.779 58.200 0.090 0.000 1.138 46 S CB 0.648 63.879 63.200 0.052 0.000 1.010 46 S HN 1.020 nan 8.310 nan 0.000 0.480 47 G N 3.605 112.519 108.800 0.190 0.000 2.942 47 G HA2 -0.205 3.709 3.960 -0.077 0.000 0.991 47 G HA3 -0.205 3.709 3.960 -0.077 0.000 0.991 47 G C -0.519 174.458 174.900 0.128 0.000 1.380 47 G CA -0.106 45.097 45.100 0.172 0.000 1.003 47 G HN 0.492 nan 8.290 nan 0.000 0.531 48 K N 0.379 120.755 120.400 -0.040 0.000 2.281 48 K HA 0.401 4.675 4.320 -0.077 0.000 0.242 48 K C 0.337 176.578 176.600 -0.598 0.000 0.971 48 K CA -0.943 55.235 56.287 -0.181 0.000 0.834 48 K CB 1.315 33.747 32.500 -0.113 0.000 1.181 48 K HN 0.613 nan 8.250 nan 0.000 0.435 49 Q N 0.678 120.147 119.800 -0.553 0.000 2.352 49 Q HA 0.140 4.434 4.340 -0.077 0.000 0.260 49 Q C -0.496 175.302 176.000 -0.336 0.000 0.976 49 Q CA 0.359 55.799 55.803 -0.604 0.000 0.881 49 Q CB 1.194 29.773 28.738 -0.264 0.000 1.235 49 Q HN 0.499 nan 8.270 nan 0.000 0.419 50 S N 1.017 116.550 115.700 -0.279 0.000 2.673 50 S HA 0.187 4.611 4.470 -0.077 0.000 0.256 50 S C 0.533 175.086 174.600 -0.078 0.000 1.141 50 S CA -0.484 57.630 58.200 -0.143 0.000 1.109 50 S CB 0.640 63.765 63.200 -0.125 0.000 1.101 50 S HN 0.558 nan 8.310 nan 0.000 0.471 51 S N 3.635 119.304 115.700 -0.051 0.000 2.387 51 S HA -0.129 4.295 4.470 -0.077 0.000 0.230 51 S C 2.541 177.131 174.600 -0.016 0.000 1.035 51 S CA 1.816 60.002 58.200 -0.023 0.000 1.014 51 S CB -0.515 62.675 63.200 -0.016 0.000 0.836 51 S HN 0.936 nan 8.310 nan 0.000 0.466 52 K N 0.766 121.152 120.400 -0.023 0.000 2.211 52 K HA 0.211 4.485 4.320 -0.077 0.000 0.204 52 K C 0.768 177.362 176.600 -0.009 0.000 1.047 52 K CA 1.845 58.123 56.287 -0.015 0.000 0.935 52 K CB -1.830 nan 32.500 nan 0.000 0.728 52 K HN 1.025 nan 8.250 nan 0.000 0.452 53 K N -1.952 118.440 120.400 -0.014 0.000 6.462 53 K HA 0.475 4.749 4.320 -0.077 0.000 0.732 53 K C 1.008 177.611 176.600 0.004 0.000 2.476 53 K CA 0.671 56.958 56.287 0.001 0.000 1.838 53 K CB -2.402 nan 32.500 nan 0.000 2.513 53 K HN 2.377 nan 8.250 nan 0.000 0.198 54 G N 1.188 109.996 108.800 0.013 0.000 3.409 54 G HA2 0.309 4.223 3.960 -0.077 0.000 0.686 54 G HA3 0.309 4.223 3.960 -0.077 0.000 0.686 54 G C -0.032 174.906 174.900 0.062 0.000 1.017 54 G CA 0.135 45.252 45.100 0.028 0.000 0.854 54 G HN 2.273 nan 8.290 nan 0.000 0.508 55 M N 2.766 122.422 119.600 0.092 0.000 2.239 55 M HA 0.433 4.867 4.480 -0.077 0.000 0.348 55 M C 0.519 176.886 176.300 0.113 0.000 1.239 55 M CA -0.537 54.819 55.300 0.094 0.000 1.114 55 M CB 0.482 33.138 32.600 0.093 0.000 1.641 55 M HN 0.759 nan 8.290 nan 0.000 0.453 56 L N 7.021 128.295 121.223 0.086 0.000 2.319 56 L HA 0.414 4.708 4.340 -0.077 0.000 0.280 56 L C -1.174 175.729 176.870 0.055 0.000 1.099 56 L CA 0.422 55.313 54.840 0.086 0.000 0.828 56 L CB 0.438 42.546 42.059 0.083 0.000 1.150 56 L HN 0.625 nan 8.230 nan 0.000 0.442 57 I N 4.444 125.042 120.570 0.047 0.000 2.382 57 I HA 0.324 4.448 4.170 -0.077 0.000 0.286 57 I C -0.242 175.857 176.117 -0.030 0.000 1.002 57 I CA -0.157 61.118 61.300 -0.040 0.000 1.135 57 I CB 1.481 39.414 38.000 -0.111 0.000 1.288 57 I HN 0.525 nan 8.210 nan 0.000 0.448 58 S N 7.070 122.737 115.700 -0.054 0.000 2.437 58 S HA 0.623 5.047 4.470 -0.077 0.000 0.305 58 S C -0.477 174.089 174.600 -0.058 0.000 1.109 58 S CA -0.479 57.717 58.200 -0.006 0.000 1.099 58 S CB 1.383 64.638 63.200 0.092 0.000 1.004 58 S HN 0.487 nan 8.310 nan 0.000 0.475 59 I N 2.724 123.279 120.570 -0.026 0.000 2.498 59 I HA 0.806 4.930 4.170 -0.077 0.000 0.290 59 I C -0.035 176.089 176.117 0.012 0.000 1.032 59 I CA 0.106 61.382 61.300 -0.039 0.000 1.073 59 I CB 1.451 39.410 38.000 -0.069 0.000 1.251 59 I HN 0.801 nan 8.210 nan 0.000 0.426 60 G N 5.142 113.959 108.800 0.029 0.000 2.322 60 G HA2 0.314 4.228 3.960 -0.077 0.000 0.295 60 G HA3 0.314 4.228 3.960 -0.077 0.000 0.295 60 G C -2.007 172.934 174.900 0.068 0.000 1.369 60 G CA -0.740 44.388 45.100 0.047 0.000 0.821 60 G HN 0.493 nan 8.290 nan 0.000 0.536 61 E N 0.157 120.394 120.200 0.062 0.000 2.250 61 E HA 0.505 4.809 4.350 -0.077 0.000 0.269 61 E C 0.205 176.850 176.600 0.074 0.000 1.018 61 E CA -0.828 55.615 56.400 0.073 0.000 0.873 61 E CB 1.399 31.131 29.700 0.053 0.000 1.134 61 E HN 0.619 nan 8.360 nan 0.000 0.403 62 K N 0.628 121.075 120.400 0.078 0.000 2.472 62 K HA 0.152 4.426 4.320 -0.077 0.000 0.280 62 K C 0.698 177.324 176.600 0.043 0.000 1.028 62 K CA 1.192 57.517 56.287 0.063 0.000 1.045 62 K CB -0.327 32.205 32.500 0.054 0.000 0.902 62 K HN 0.650 nan 8.250 nan 0.000 0.478 63 G N 3.284 112.105 108.800 0.036 0.000 2.284 63 G HA2 -0.206 3.708 3.960 -0.077 0.000 0.216 63 G HA3 -0.206 3.708 3.960 -0.077 0.000 0.216 63 G C -0.521 174.394 174.900 0.025 0.000 1.009 63 G CA -0.031 45.083 45.100 0.024 0.000 0.625 63 G HN 0.696 nan 8.290 nan 0.000 0.501 64 D N 0.956 121.377 120.400 0.036 0.000 2.414 64 D HA 0.413 5.007 4.640 -0.077 0.000 0.242 64 D C 1.450 177.772 176.300 0.037 0.000 1.129 64 D CA -0.015 54.006 54.000 0.035 0.000 0.885 64 D CB 1.016 41.841 40.800 0.043 0.000 1.198 64 D HN 0.342 nan 8.370 nan 0.000 0.437 65 K N 0.460 120.877 120.400 0.028 0.000 2.209 65 K HA -0.127 4.147 4.320 -0.077 0.000 0.204 65 K C 1.841 178.463 176.600 0.038 0.000 1.048 65 K CA 1.071 57.372 56.287 0.023 0.000 0.940 65 K CB 0.046 32.556 32.500 0.017 0.000 0.729 65 K HN 0.389 nan 8.250 nan 0.000 0.451 66 S N 0.367 116.100 115.700 0.056 0.000 2.402 66 S HA -0.086 4.338 4.470 -0.077 0.000 0.229 66 S C 1.798 176.486 174.600 0.147 0.000 1.021 66 S CA 1.043 59.293 58.200 0.084 0.000 0.974 66 S CB -0.248 62.996 63.200 0.074 0.000 0.800 66 S HN 0.204 nan 8.310 nan 0.000 0.484 67 V N -2.195 117.809 119.914 0.150 0.000 3.276 67 V HA 0.446 4.520 4.120 -0.077 0.000 0.319 67 V C 1.690 177.875 176.094 0.150 0.000 1.427 67 V CA -0.515 61.946 62.300 0.269 0.000 1.102 67 V CB -0.602 31.370 31.823 0.249 0.000 1.020 67 V HN 0.168 nan 8.190 nan 0.000 0.456 68 R N 1.245 121.762 120.500 0.028 0.000 2.119 68 R HA -0.223 4.071 4.340 -0.077 0.000 0.246 68 R C 2.277 178.485 176.300 -0.154 0.000 1.146 68 R CA 2.424 58.496 56.100 -0.045 0.000 0.962 68 R CB -0.317 29.953 30.300 -0.049 0.000 0.863 68 R HN 0.581 nan 8.270 nan 0.000 0.442 69 K N -0.073 120.104 120.400 -0.370 0.000 2.209 69 K HA -0.149 4.125 4.320 -0.077 0.000 0.204 69 K C 0.375 176.630 176.600 -0.575 0.000 1.048 69 K CA 1.244 57.178 56.287 -0.588 0.000 0.940 69 K CB 0.177 32.152 32.500 -0.875 0.000 0.729 69 K HN 0.275 nan 8.250 nan 0.000 0.451 70 Y N -0.204 120.096 120.300 -0.000 0.000 2.720 70 Y HA 0.176 4.680 4.550 -0.076 0.000 0.277 70 Y C 1.494 177.346 175.900 -0.081 0.000 1.144 70 Y CA -0.381 57.690 58.100 -0.048 0.000 1.221 70 Y CB 0.256 38.736 38.460 0.032 0.000 1.163 70 Y HN 0.045 nan 8.280 nan 0.000 0.537 71 S N -0.574 115.138 115.700 0.021 0.000 2.453 71 S HA -0.101 4.323 4.470 -0.077 0.000 0.231 71 S C 1.882 176.465 174.600 -0.029 0.000 1.005 71 S CA 0.472 58.679 58.200 0.012 0.000 0.949 71 S CB -0.061 63.139 63.200 0.000 0.000 0.774 71 S HN 0.482 nan 8.310 nan 0.000 0.510 72 R N 0.772 121.237 120.500 -0.059 0.000 2.115 72 R HA 0.065 4.359 4.340 -0.077 0.000 0.226 72 R C 2.232 178.463 176.300 -0.115 0.000 1.100 72 R CA 1.111 57.166 56.100 -0.076 0.000 0.980 72 R CB -0.123 30.134 30.300 -0.073 0.000 0.875 72 R HN 0.476 nan 8.270 nan 0.000 0.445 73 Q N 0.309 119.984 119.800 -0.208 0.000 2.245 73 Q HA 0.013 4.307 4.340 -0.077 0.000 0.201 73 Q C 0.769 176.623 176.000 -0.244 0.000 0.955 73 Q CA 0.674 56.215 55.803 -0.437 0.000 0.870 73 Q CB 0.022 28.068 28.738 -1.153 0.000 0.945 73 Q HN 0.340 nan 8.270 nan 0.000 0.461 74 I N 4.121 124.649 120.570 -0.070 0.000 2.505 74 I HA 0.038 4.162 4.170 -0.077 0.000 0.287 74 I C -2.035 174.117 176.117 0.057 0.000 1.104 74 I CA -1.746 59.602 61.300 0.080 0.000 1.387 74 I CB 0.270 38.337 38.000 0.112 0.000 1.404 74 I HN -0.155 nan 8.210 nan 0.000 0.528 75 P HA -0.040 nan 4.420 nan 0.000 0.265 75 P C -0.503 176.789 177.300 -0.013 0.000 1.193 75 P CA -0.059 63.098 63.100 0.094 0.000 0.765 75 P CB 0.416 32.276 31.700 0.266 0.000 0.823 76 D N 2.986 123.256 120.400 -0.217 0.000 2.713 76 D HA 0.049 4.643 4.640 -0.077 0.000 0.229 76 D C -0.549 175.393 176.300 -0.596 0.000 1.136 76 D CA 0.024 53.839 54.000 -0.308 0.000 1.010 76 D CB -0.608 40.017 40.800 -0.291 0.000 1.084 76 D HN 0.297 nan 8.370 nan 0.000 0.495 77 H N 0.803 119.778 119.070 -0.159 0.000 2.894 77 H HA 0.250 4.760 4.556 -0.077 0.000 0.367 77 H C -0.041 175.256 175.328 -0.051 0.000 1.144 77 H CA -0.894 55.042 56.048 -0.186 0.000 1.180 77 H CB 1.316 30.840 29.762 -0.396 0.000 1.758 77 H HN 0.081 nan 8.280 nan 0.000 0.541 78 K N 1.752 122.196 120.400 0.074 0.000 2.491 78 K HA -0.085 4.189 4.320 -0.077 0.000 0.279 78 K C 0.337 177.027 176.600 0.150 0.000 1.026 78 K CA 0.766 57.103 56.287 0.083 0.000 1.070 78 K CB 0.399 32.920 32.500 0.034 0.000 0.887 78 K HN 0.706 nan 8.250 nan 0.000 0.481 79 E N -1.016 119.311 120.200 0.213 0.000 3.801 79 E HA -0.193 4.111 4.350 -0.077 0.000 0.319 79 E C 0.537 177.449 176.600 0.520 0.000 0.784 79 E CA 0.549 57.173 56.400 0.373 0.000 1.183 79 E CB -1.684 28.304 29.700 0.480 0.000 1.601 79 E HN 0.844 nan 8.360 nan 0.000 0.441 80 G N 0.361 109.390 108.800 0.382 0.000 2.636 80 G HA2 0.391 4.305 3.960 -0.077 0.000 0.246 80 G HA3 0.391 4.305 3.960 -0.077 0.000 0.246 80 G C -0.237 174.946 174.900 0.472 0.000 1.216 80 G CA 0.455 45.795 45.100 0.400 0.000 0.854 80 G HN 0.293 nan 8.290 nan 0.000 0.572 81 Y N -1.802 118.695 120.300 0.329 0.000 2.713 81 Y HA 0.628 5.132 4.550 -0.077 0.000 0.335 81 Y C -1.878 174.196 175.900 0.290 0.000 1.222 81 Y CA -2.085 56.176 58.100 0.267 0.000 1.061 81 Y CB 1.375 39.972 38.460 0.228 0.000 1.314 81 Y HN 0.665 nan 8.280 nan 0.000 0.453 82 Y N 2.844 123.295 120.300 0.251 0.000 2.361 82 Y HA 0.736 5.240 4.550 -0.076 0.000 0.337 82 Y C -1.998 174.026 175.900 0.207 0.000 0.965 82 Y CA -1.772 56.409 58.100 0.135 0.000 1.091 82 Y CB 1.797 40.309 38.460 0.087 0.000 1.182 82 Y HN 0.976 nan 8.280 nan 0.000 0.450 83 L N 5.636 126.611 121.223 -0.414 0.000 2.385 83 L HA 0.775 5.069 4.340 -0.077 0.000 0.273 83 L C -1.247 175.236 176.870 -0.646 0.000 0.990 83 L CA -0.344 54.275 54.840 -0.369 0.000 0.821 83 L CB 1.755 43.829 42.059 0.026 0.000 1.279 83 L HN 0.679 nan 8.230 nan 0.000 0.412 84 S N 3.604 118.983 115.700 -0.536 0.000 2.571 84 S HA 0.783 5.207 4.470 -0.077 0.000 0.284 84 S C -1.445 173.059 174.600 -0.159 0.000 1.128 84 S CA -0.467 57.524 58.200 -0.348 0.000 0.970 84 S CB 1.693 64.694 63.200 -0.332 0.000 1.039 84 S HN 0.408 nan 8.310 nan 0.000 0.485 85 V N 5.477 125.355 119.914 -0.060 0.000 2.531 85 V HA 0.659 4.733 4.120 -0.077 0.000 0.301 85 V C -0.638 175.463 176.094 0.011 0.000 1.034 85 V CA -0.823 61.479 62.300 0.002 0.000 0.865 85 V CB 1.493 33.354 31.823 0.065 0.000 0.995 85 V HN 0.989 nan 8.190 nan 0.000 0.424 86 N N 1.926 120.637 118.700 0.019 0.000 3.039 86 N HA 0.369 5.063 4.740 -0.077 0.000 0.257 86 N C 0.412 175.941 175.510 0.033 0.000 1.497 86 N CA -0.753 52.314 53.050 0.029 0.000 0.861 86 N CB 0.906 39.414 38.487 0.037 0.000 1.479 86 N HN 0.335 nan 8.380 nan 0.000 0.547 87 E N 0.037 120.257 120.200 0.033 0.000 2.114 87 E HA -0.292 4.012 4.350 -0.077 0.000 0.199 87 E C 1.226 177.849 176.600 0.039 0.000 1.008 87 E CA 1.812 58.232 56.400 0.034 0.000 0.810 87 E CB -0.073 29.646 29.700 0.031 0.000 0.739 87 E HN 0.707 nan 8.360 nan 0.000 0.456 88 K N 0.182 120.608 120.400 0.043 0.000 2.137 88 K HA 0.025 4.299 4.320 -0.077 0.000 0.202 88 K C 0.229 176.860 176.600 0.052 0.000 1.052 88 K CA 0.837 57.154 56.287 0.049 0.000 0.961 88 K CB 0.444 32.978 32.500 0.056 0.000 0.741 88 K HN 0.107 nan 8.250 nan 0.000 0.452 89 E N -0.169 120.057 120.200 0.043 0.000 2.390 89 E HA 0.319 4.623 4.350 -0.077 0.000 0.280 89 E C -1.678 174.914 176.600 -0.012 0.000 0.992 89 E CA -0.583 55.836 56.400 0.031 0.000 0.790 89 E CB 1.949 31.683 29.700 0.056 0.000 1.248 89 E HN 0.069 nan 8.360 nan 0.000 0.447 90 I N 2.369 122.908 120.570 -0.051 0.000 2.406 90 I HA 0.371 4.495 4.170 -0.077 0.000 0.290 90 I C -0.801 175.182 176.117 -0.223 0.000 0.999 90 I CA -0.820 60.401 61.300 -0.132 0.000 1.124 90 I CB 1.796 39.706 38.000 -0.150 0.000 1.289 90 I HN 0.137 nan 8.210 nan 0.000 0.441 91 V N 7.625 127.356 119.914 -0.306 0.000 2.487 91 V HA 0.464 4.538 4.120 -0.077 0.000 0.298 91 V C -0.273 175.617 176.094 -0.340 0.000 1.028 91 V CA -0.499 61.572 62.300 -0.380 0.000 0.860 91 V CB 1.910 33.393 31.823 -0.566 0.000 0.991 91 V HN 0.476 nan 8.190 nan 0.000 0.427 92 L N 4.770 125.843 121.223 -0.249 0.000 2.470 92 L HA 0.737 5.031 4.340 -0.077 0.000 0.253 92 L C -0.040 176.801 176.870 -0.050 0.000 1.163 92 L CA -0.203 54.519 54.840 -0.197 0.000 0.932 92 L CB 1.359 43.231 42.059 -0.312 0.000 1.213 92 L HN 0.720 nan 8.230 nan 0.000 0.485 93 A N 1.447 124.310 122.820 0.072 0.000 2.310 93 A HA 0.803 5.077 4.320 -0.077 0.000 0.304 93 A C 0.224 177.951 177.584 0.239 0.000 1.231 93 A CA -0.359 51.774 52.037 0.161 0.000 0.799 93 A CB 1.095 20.236 19.000 0.235 0.000 1.162 93 A HN 0.547 nan 8.150 nan 0.000 0.486 94 G N 0.699 109.613 108.800 0.190 0.000 2.448 94 G HA2 0.352 4.266 3.960 -0.077 0.000 0.285 94 G HA3 0.352 4.266 3.960 -0.077 0.000 0.285 94 G C 0.577 175.590 174.900 0.187 0.000 1.176 94 G CA -0.354 44.883 45.100 0.228 0.000 0.852 94 G HN 0.731 nan 8.290 nan 0.000 0.530 95 N N -0.277 118.543 118.700 0.200 0.000 2.381 95 N HA -0.013 4.681 4.740 -0.077 0.000 0.182 95 N C 0.168 175.739 175.510 0.103 0.000 1.025 95 N CA 1.496 54.628 53.050 0.136 0.000 0.888 95 N CB 0.179 38.747 38.487 0.136 0.000 0.965 95 N HN 0.738 nan 8.380 nan 0.000 0.438 96 D N -3.041 117.427 120.400 0.114 0.000 2.768 96 D HA 0.125 4.719 4.640 -0.077 0.000 0.327 96 D C 0.117 176.460 176.300 0.072 0.000 1.302 96 D CA -0.628 53.420 54.000 0.080 0.000 0.897 96 D CB 0.132 40.977 40.800 0.075 0.000 1.420 96 D HN -0.119 nan 8.370 nan 0.000 0.494 97 E N -0.728 119.497 120.200 0.043 0.000 2.106 97 E HA -0.127 4.177 4.350 -0.077 0.000 0.192 97 E C 1.747 178.350 176.600 0.004 0.000 0.984 97 E CA 0.685 57.098 56.400 0.021 0.000 0.806 97 E CB 0.110 29.809 29.700 -0.001 0.000 0.750 97 E HN 0.307 nan 8.360 nan 0.000 0.458 98 R N 0.256 120.738 120.500 -0.030 0.000 2.092 98 R HA -0.095 4.199 4.340 -0.077 0.000 0.231 98 R C 2.397 178.560 176.300 -0.229 0.000 1.119 98 R CA 1.246 57.231 56.100 -0.191 0.000 0.970 98 R CB -0.340 29.853 30.300 -0.177 0.000 0.864 98 R HN 0.187 nan 8.270 nan 0.000 0.440 99 G N -0.580 108.254 108.800 0.057 0.000 2.442 99 G HA2 -0.268 3.646 3.960 -0.077 0.000 0.219 99 G HA3 -0.268 3.646 3.960 -0.077 0.000 0.219 99 G C 1.261 176.265 174.900 0.174 0.000 1.141 99 G CA 1.417 46.682 45.100 0.274 0.000 0.763 99 G HN 0.348 nan 8.290 nan 0.000 0.554 100 T N -0.386 114.223 114.554 0.091 0.000 2.821 100 T HA -0.123 4.181 4.350 -0.077 0.000 0.267 100 T C 1.984 176.679 174.700 -0.009 0.000 1.046 100 T CA 1.138 63.261 62.100 0.038 0.000 1.139 100 T CB -0.312 68.583 68.868 0.045 0.000 0.871 100 T HN 0.339 nan 8.240 nan 0.000 0.454 101 Y N 1.024 121.249 120.300 -0.125 0.000 2.181 101 Y HA -0.209 4.294 4.550 -0.077 0.000 0.288 101 Y C 2.088 177.946 175.900 -0.070 0.000 1.146 101 Y CA 1.084 59.116 58.100 -0.114 0.000 1.164 101 Y CB -0.475 37.892 38.460 -0.155 0.000 0.982 101 Y HN 0.161 nan 8.280 nan 0.000 0.515 102 Y N -0.313 119.928 120.300 -0.100 0.000 2.224 102 Y HA -0.149 4.354 4.550 -0.077 0.000 0.289 102 Y C 2.691 178.119 175.900 -0.787 0.000 1.146 102 Y CA 0.526 58.422 58.100 -0.339 0.000 1.182 102 Y CB -1.568 36.864 38.460 -0.047 0.000 0.983 102 Y HN 0.235 nan 8.280 nan 0.000 0.524 103 A N 0.144 122.461 122.820 -0.838 0.000 1.892 103 A HA -0.211 4.063 4.320 -0.077 0.000 0.218 103 A C 2.316 179.645 177.584 -0.425 0.000 1.188 103 A CA 1.969 53.425 52.037 -0.968 0.000 0.631 103 A CB -1.198 17.534 19.000 -0.447 0.000 0.822 103 A HN 0.413 nan 8.150 nan 0.000 0.447 104 L N -0.646 120.398 121.223 -0.300 0.000 2.141 104 L HA -0.177 4.117 4.340 -0.077 0.000 0.209 104 L C 2.710 179.470 176.870 -0.183 0.000 1.094 104 L CA 1.175 55.915 54.840 -0.168 0.000 0.763 104 L CB -0.294 41.663 42.059 -0.169 0.000 0.908 104 L HN 0.336 nan 8.230 nan 0.000 0.437 105 Q N -0.870 118.740 119.800 -0.316 0.000 2.167 105 Q HA -0.106 4.188 4.340 -0.077 0.000 0.202 105 Q C 2.253 178.112 176.000 -0.235 0.000 0.970 105 Q CA 1.759 57.383 55.803 -0.297 0.000 0.855 105 Q CB -0.521 28.017 28.738 -0.334 0.000 0.911 105 Q HN 0.473 nan 8.270 nan 0.000 0.438 106 T N 0.969 115.384 114.554 -0.232 0.000 2.812 106 T HA -0.076 4.228 4.350 -0.077 0.000 0.264 106 T C 1.493 176.162 174.700 -0.051 0.000 1.042 106 T CA 0.695 62.713 62.100 -0.138 0.000 1.140 106 T CB -0.379 68.454 68.868 -0.058 0.000 0.870 106 T HN 0.166 nan 8.240 nan 0.000 0.445 107 F N 2.674 122.510 119.950 -0.190 0.000 2.065 107 F HA -0.119 4.362 4.527 -0.076 0.000 0.298 107 F C 2.538 178.257 175.800 -0.134 0.000 1.112 107 F CA 1.078 58.987 58.000 -0.151 0.000 1.212 107 F CB -0.932 37.971 39.000 -0.163 0.000 0.975 107 F HN 0.158 nan 8.300 nan 0.000 0.476 108 A N -0.274 122.454 122.820 -0.153 0.000 1.958 108 A HA -0.305 3.969 4.320 -0.077 0.000 0.221 108 A C 2.098 179.549 177.584 -0.222 0.000 1.178 108 A CA 2.175 54.082 52.037 -0.218 0.000 0.642 108 A CB -0.915 18.002 19.000 -0.138 0.000 0.816 108 A HN 0.672 nan 8.150 nan 0.000 0.453 109 Q N -0.836 118.855 119.800 -0.181 0.000 2.311 109 Q HA 0.083 4.377 4.340 -0.077 0.000 0.203 109 Q C 1.910 177.819 176.000 -0.151 0.000 0.954 109 Q CA 0.879 56.596 55.803 -0.145 0.000 0.885 109 Q CB -0.173 28.493 28.738 -0.121 0.000 0.963 109 Q HN 0.706 nan 8.270 nan 0.000 0.471 110 L N 0.063 121.168 121.223 -0.197 0.000 2.131 110 L HA -0.038 4.256 4.340 -0.077 0.000 0.206 110 L C 0.841 177.575 176.870 -0.227 0.000 1.087 110 L CA -0.058 54.671 54.840 -0.186 0.000 0.767 110 L CB -0.087 41.870 42.059 -0.170 0.000 0.917 110 L HN 0.206 nan 8.230 nan 0.000 0.441 111 L N 2.286 123.303 121.223 -0.344 0.000 2.623 111 L HA 0.080 4.374 4.340 -0.077 0.000 0.281 111 L C -0.181 176.575 176.870 -0.190 0.000 1.150 111 L CA 0.713 55.363 54.840 -0.316 0.000 0.965 111 L CB -0.597 41.188 42.059 -0.456 0.000 1.303 111 L HN -0.037 nan 8.230 nan 0.000 0.467 112 K N 4.452 124.771 120.400 -0.136 0.000 2.358 112 K HA 0.227 4.501 4.320 -0.077 0.000 0.260 112 K C -0.177 176.379 176.600 -0.074 0.000 0.956 112 K CA -0.561 55.670 56.287 -0.093 0.000 0.834 112 K CB 1.413 33.868 32.500 -0.074 0.000 1.102 112 K HN 0.502 nan 8.250 nan 0.000 0.431 113 D N 1.832 122.194 120.400 -0.063 0.000 2.772 113 D HA -0.181 4.413 4.640 -0.077 0.000 0.233 113 D C 0.620 176.892 176.300 -0.047 0.000 1.143 113 D CA 1.554 55.526 54.000 -0.047 0.000 0.700 113 D CB -0.474 40.303 40.800 -0.037 0.000 1.076 113 D HN 1.094 nan 8.370 nan 0.000 0.430 114 G N -0.154 108.609 108.800 -0.061 0.000 2.155 114 G HA2 -0.338 3.576 3.960 -0.077 0.000 0.257 114 G HA3 -0.338 3.576 3.960 -0.077 0.000 0.257 114 G C 0.256 175.124 174.900 -0.054 0.000 0.983 114 G CA 1.107 46.173 45.100 -0.055 0.000 0.676 114 G HN 0.471 nan 8.290 nan 0.000 0.528 115 K N -0.952 119.408 120.400 -0.066 0.000 2.395 115 K HA 0.803 5.077 4.320 -0.077 0.000 0.247 115 K C -0.458 176.090 176.600 -0.085 0.000 0.973 115 K CA -0.908 55.345 56.287 -0.058 0.000 0.828 115 K CB 2.090 34.568 32.500 -0.037 0.000 1.272 115 K HN 0.090 nan 8.250 nan 0.000 0.439 116 L N 2.518 123.702 121.223 -0.065 0.000 2.362 116 L HA 0.506 4.800 4.340 -0.077 0.000 0.271 116 L C -2.289 174.559 176.870 -0.036 0.000 1.002 116 L CA -2.089 52.707 54.840 -0.073 0.000 0.818 116 L CB 2.224 44.256 42.059 -0.045 0.000 1.298 116 L HN 0.445 nan 8.230 nan 0.000 0.420 117 P HA 0.067 nan 4.420 nan 0.000 0.276 117 P C -1.184 176.117 177.300 0.001 0.000 1.252 117 P CA -0.460 62.631 63.100 -0.015 0.000 0.802 117 P CB 0.856 32.545 31.700 -0.018 0.000 1.035 118 E N 0.808 121.012 120.200 0.007 0.000 2.152 118 E HA 0.378 4.682 4.350 -0.077 0.000 0.285 118 E C -0.608 176.000 176.600 0.014 0.000 1.043 118 E CA -0.674 55.735 56.400 0.014 0.000 0.839 118 E CB 0.345 30.056 29.700 0.018 0.000 1.069 118 E HN 0.298 nan 8.360 nan 0.000 0.399 119 V N 0.841 120.762 119.914 0.012 0.000 3.114 119 V HA 0.601 4.675 4.120 -0.077 0.000 0.308 119 V C -0.861 175.231 176.094 -0.004 0.000 1.168 119 V CA -0.991 61.315 62.300 0.009 0.000 1.015 119 V CB 2.059 33.887 31.823 0.009 0.000 1.050 119 V HN 0.668 nan 8.190 nan 0.000 0.433 120 E N 1.789 121.995 120.200 0.010 0.000 2.241 120 E HA 0.675 4.979 4.350 -0.077 0.000 0.263 120 E C -1.778 174.835 176.600 0.022 0.000 0.882 120 E CA -0.593 55.813 56.400 0.010 0.000 0.769 120 E CB 2.332 32.092 29.700 0.100 0.000 1.185 120 E HN 0.772 nan 8.360 nan 0.000 0.415 121 I N 3.306 123.859 120.570 -0.028 0.000 2.498 121 I HA 0.346 4.470 4.170 -0.077 0.000 0.290 121 I C -0.612 175.525 176.117 0.033 0.000 1.032 121 I CA -0.654 60.652 61.300 0.011 0.000 1.073 121 I CB 1.853 39.878 38.000 0.042 0.000 1.251 121 I HN 0.149 nan 8.210 nan 0.000 0.426 122 K N 4.408 124.831 120.400 0.039 0.000 2.450 122 K HA 0.544 4.818 4.320 -0.077 0.000 0.257 122 K C -1.493 175.058 176.600 -0.083 0.000 0.953 122 K CA -0.728 55.588 56.287 0.048 0.000 0.844 122 K CB 2.005 34.603 32.500 0.163 0.000 1.103 122 K HN 0.378 nan 8.250 nan 0.000 0.429 123 D N 1.812 122.056 120.400 -0.259 0.000 2.596 123 D HA 0.527 5.121 4.640 -0.077 0.000 0.234 123 D C -1.703 174.545 176.300 -0.088 0.000 1.181 123 D CA -0.243 53.562 54.000 -0.325 0.000 0.856 123 D CB 1.387 41.872 40.800 -0.526 0.000 1.498 123 D HN 0.405 nan 8.370 nan 0.000 0.446 124 Y N -1.967 118.266 120.300 -0.112 0.000 2.786 124 Y HA 0.450 4.954 4.550 -0.076 0.000 0.365 124 Y C -3.146 172.034 175.900 -1.200 0.000 1.171 124 Y CA -1.691 56.167 58.100 -0.404 0.000 1.214 124 Y CB 0.519 38.776 38.460 -0.337 0.000 1.411 124 Y HN 0.065 nan 8.280 nan 0.000 0.485 125 P HA 0.267 nan 4.420 nan 0.000 0.284 125 P C -0.209 176.705 177.300 -0.644 0.000 1.253 125 P CA -0.233 61.989 63.100 -1.465 0.000 0.800 125 P CB 2.097 33.209 31.700 -0.979 0.000 0.961 126 S N 0.719 116.072 115.700 -0.579 0.000 2.470 126 S HA 0.064 4.488 4.470 -0.077 0.000 0.225 126 S C 0.918 175.358 174.600 -0.267 0.000 1.006 126 S CA 0.319 58.316 58.200 -0.338 0.000 0.934 126 S CB 0.019 63.020 63.200 -0.333 0.000 0.778 126 S HN 0.343 nan 8.310 nan 0.000 0.517 127 V N 1.758 121.501 119.914 -0.284 0.000 2.495 127 V HA 0.378 4.452 4.120 -0.077 0.000 0.298 127 V C 1.046 177.021 176.094 -0.198 0.000 1.031 127 V CA -0.868 61.310 62.300 -0.203 0.000 0.871 127 V CB 1.916 33.636 31.823 -0.172 0.000 0.988 127 V HN 0.116 nan 8.190 nan 0.000 0.432 128 R N 2.692 123.056 120.500 -0.227 0.000 2.070 128 R HA -0.052 4.242 4.340 -0.077 0.000 0.233 128 R C -0.345 175.720 176.300 -0.392 0.000 1.137 128 R CA 1.510 57.386 56.100 -0.373 0.000 0.945 128 R CB 0.077 30.058 30.300 -0.532 0.000 0.845 128 R HN 0.636 nan 8.270 nan 0.000 0.430 129 Y N 0.068 120.342 120.300 -0.043 0.000 2.335 129 Y HA 0.447 4.951 4.550 -0.077 0.000 0.338 129 Y C -0.573 175.295 175.900 -0.053 0.000 0.977 129 Y CA -0.831 57.251 58.100 -0.029 0.000 1.114 129 Y CB 1.708 40.137 38.460 -0.050 0.000 1.182 129 Y HN -0.088 nan 8.280 nan 0.000 0.463 130 R N 2.045 122.667 120.500 0.202 0.000 2.510 130 R HA 0.742 5.036 4.340 -0.077 0.000 0.294 130 R C -0.153 176.220 176.300 0.122 0.000 1.056 130 R CA -0.640 55.551 56.100 0.153 0.000 0.918 130 R CB 1.977 32.362 30.300 0.141 0.000 1.187 130 R HN 0.923 nan 8.270 nan 0.000 0.437 131 G N 0.849 109.695 108.800 0.077 0.000 2.539 131 G HA2 0.307 4.221 3.960 -0.077 0.000 0.138 131 G HA3 0.307 4.221 3.960 -0.077 0.000 0.138 131 G C -1.729 173.110 174.900 -0.103 0.000 1.148 131 G CA -0.353 44.706 45.100 -0.069 0.000 1.057 131 G HN 0.279 nan 8.290 nan 0.000 0.511 132 V N 0.186 119.990 119.914 -0.183 0.000 2.638 132 V HA 0.665 4.739 4.120 -0.077 0.000 0.306 132 V C -0.610 175.371 176.094 -0.188 0.000 1.052 132 V CA -0.753 61.477 62.300 -0.118 0.000 0.885 132 V CB 1.613 33.449 31.823 0.022 0.000 0.999 132 V HN 0.949 nan 8.190 nan 0.000 0.424 133 V N 4.494 124.177 119.914 -0.386 0.000 2.350 133 V HA 0.440 4.514 4.120 -0.077 0.000 0.276 133 V C 0.393 176.117 176.094 -0.616 0.000 1.028 133 V CA -0.213 61.718 62.300 -0.614 0.000 0.860 133 V CB 1.445 32.658 31.823 -1.017 0.000 0.990 133 V HN 1.031 nan 8.190 nan 0.000 0.453 134 E N 5.061 124.861 120.200 -0.667 0.000 1.802 134 E HA 0.342 4.646 4.350 -0.077 0.000 0.265 134 E C 0.754 176.765 176.600 -0.981 0.000 1.168 134 E CA 0.309 56.183 56.400 -0.876 0.000 1.033 134 E CB 0.072 29.212 29.700 -0.932 0.000 1.095 134 E HN 0.910 nan 8.360 nan 0.000 0.436 135 G N 4.113 112.442 108.800 -0.785 0.000 3.863 135 G HA2 0.114 4.028 3.960 -0.077 0.000 0.290 135 G HA3 0.114 4.028 3.960 -0.077 0.000 0.290 135 G C -0.149 174.494 174.900 -0.430 0.000 1.018 135 G CA -0.446 44.319 45.100 -0.558 0.000 0.824 135 G HN 0.425 nan 8.290 nan 0.000 0.507 136 F N -0.660 119.080 119.950 -0.350 0.000 2.370 136 F HA 0.753 5.235 4.527 -0.075 0.000 0.319 136 F C -0.269 175.344 175.800 -0.310 0.000 1.129 136 F CA -2.558 55.290 58.000 -0.254 0.000 1.109 136 F CB 0.365 39.248 39.000 -0.194 0.000 1.262 136 F HN -0.025 nan 8.300 nan 0.000 0.534 137 Y N 0.811 121.190 120.300 0.133 0.000 2.304 137 Y HA 0.571 5.074 4.550 -0.078 0.000 0.328 137 Y C 0.861 176.889 175.900 0.214 0.000 1.123 137 Y CA 0.372 58.517 58.100 0.076 0.000 1.218 137 Y CB 0.985 39.435 38.460 -0.017 0.000 1.207 137 Y HN 1.100 nan 8.280 nan 0.000 0.495 138 G N 0.383 109.382 108.800 0.331 0.000 2.331 138 G HA2 -0.080 3.834 3.960 -0.077 0.000 0.402 138 G HA3 -0.080 3.834 3.960 -0.077 0.000 0.402 138 G C -1.095 173.967 174.900 0.270 0.000 1.275 138 G CA -1.204 44.069 45.100 0.287 0.000 1.003 138 G HN 0.469 nan 8.290 nan 0.000 0.500 139 T N 3.524 118.217 114.554 0.233 0.000 2.758 139 T HA 0.425 4.729 4.350 -0.077 0.000 0.281 139 T C -1.956 172.937 174.700 0.320 0.000 0.963 139 T CA 0.337 62.569 62.100 0.221 0.000 1.201 139 T CB 0.639 69.611 68.868 0.174 0.000 0.906 139 T HN 0.443 nan 8.240 nan 0.000 0.528 140 P HA 0.086 nan 4.420 nan 0.000 0.272 140 P C -0.090 177.434 177.300 0.374 0.000 1.223 140 P CA -0.728 62.477 63.100 0.174 0.000 0.784 140 P CB 0.405 32.118 31.700 0.023 0.000 0.923 141 W N 1.465 122.904 121.300 0.231 0.000 2.314 141 W HA 0.041 4.654 4.660 -0.077 0.000 0.339 141 W C 1.068 177.681 176.519 0.156 0.000 1.293 141 W CA -0.168 57.287 57.345 0.184 0.000 1.288 141 W CB -0.977 28.592 29.460 0.181 0.000 1.186 141 W HN 0.343 nan 8.180 nan 0.000 0.566 142 S N 1.525 117.411 115.700 0.309 0.000 2.584 142 S HA -0.075 4.349 4.470 -0.077 0.000 0.270 142 S C 1.124 175.861 174.600 0.228 0.000 1.346 142 S CA 0.232 58.567 58.200 0.226 0.000 1.018 142 S CB 0.818 64.099 63.200 0.134 0.000 0.899 142 S HN 0.572 nan 8.310 nan 0.000 0.542 143 H N 1.406 120.558 119.070 0.137 0.000 2.352 143 H HA -0.096 4.414 4.556 -0.077 0.000 0.299 143 H C 2.065 177.422 175.328 0.050 0.000 1.097 143 H CA 2.538 58.652 56.048 0.110 0.000 1.311 143 H CB -0.135 29.675 29.762 0.080 0.000 1.377 143 H HN 0.612 nan 8.280 nan 0.000 0.504 144 Q N 0.080 119.882 119.800 0.004 0.000 2.096 144 Q HA -0.105 4.189 4.340 -0.077 0.000 0.204 144 Q C 2.592 178.498 176.000 -0.157 0.000 0.982 144 Q CA 1.360 57.107 55.803 -0.092 0.000 0.850 144 Q CB -0.787 27.934 28.738 -0.028 0.000 0.901 144 Q HN 0.640 nan 8.270 nan 0.000 0.422 145 A N 1.028 123.765 122.820 -0.137 0.000 1.933 145 A HA -0.196 4.078 4.320 -0.077 0.000 0.218 145 A C 2.185 179.581 177.584 -0.314 0.000 1.175 145 A CA 1.427 53.303 52.037 -0.269 0.000 0.628 145 A CB -0.410 18.390 19.000 -0.334 0.000 0.814 145 A HN 0.274 nan 8.150 nan 0.000 0.444 146 R N -0.560 119.851 120.500 -0.148 0.000 2.081 146 R HA -0.020 4.274 4.340 -0.077 0.000 0.235 146 R C 2.053 178.189 176.300 -0.273 0.000 1.131 146 R CA 1.391 57.415 56.100 -0.126 0.000 0.960 146 R CB -0.514 29.834 30.300 0.082 0.000 0.856 146 R HN 0.506 nan 8.270 nan 0.000 0.436 147 L N -0.128 120.917 121.223 -0.296 0.000 2.012 147 L HA -0.224 4.070 4.340 -0.077 0.000 0.210 147 L C 2.635 179.360 176.870 -0.241 0.000 1.073 147 L CA 1.330 56.010 54.840 -0.267 0.000 0.748 147 L CB -0.559 41.340 42.059 -0.266 0.000 0.891 147 L HN 0.223 nan 8.230 nan 0.000 0.431 148 S N -0.965 114.584 115.700 -0.252 0.000 2.370 148 S HA -0.221 4.203 4.470 -0.077 0.000 0.226 148 S C 2.050 176.458 174.600 -0.318 0.000 1.033 148 S CA 1.260 59.311 58.200 -0.248 0.000 1.011 148 S CB -0.070 62.969 63.200 -0.269 0.000 0.852 148 S HN 0.378 nan 8.310 nan 0.000 0.457 149 Q N 0.623 120.142 119.800 -0.469 0.000 2.050 149 Q HA -0.046 4.248 4.340 -0.077 0.000 0.202 149 Q C 2.352 177.758 176.000 -0.990 0.000 0.980 149 Q CA 1.330 56.694 55.803 -0.732 0.000 0.840 149 Q CB -0.655 27.637 28.738 -0.742 0.000 0.898 149 Q HN 0.556 nan 8.270 nan 0.000 0.424 150 L N 0.577 121.394 121.223 -0.677 0.000 2.083 150 L HA -0.198 4.096 4.340 -0.077 0.000 0.209 150 L C 2.356 179.135 176.870 -0.152 0.000 1.083 150 L CA 1.206 55.798 54.840 -0.413 0.000 0.752 150 L CB -0.339 41.592 42.059 -0.214 0.000 0.899 150 L HN 0.177 nan 8.230 nan 0.000 0.433 151 K N -0.624 119.706 120.400 -0.117 0.000 2.097 151 K HA -0.195 4.079 4.320 -0.077 0.000 0.206 151 K C 2.050 178.696 176.600 0.076 0.000 1.049 151 K CA 1.383 57.670 56.287 -0.001 0.000 0.933 151 K CB -0.311 32.181 32.500 -0.012 0.000 0.717 151 K HN 0.070 nan 8.250 nan 0.000 0.442 152 F N 0.796 120.672 119.950 -0.123 0.000 2.186 152 F HA -0.185 4.298 4.527 -0.074 0.000 0.299 152 F C 1.798 177.684 175.800 0.143 0.000 1.090 152 F CA 1.232 59.220 58.000 -0.019 0.000 1.307 152 F CB -0.089 38.870 39.000 -0.068 0.000 1.019 152 F HN -0.039 nan 8.300 nan 0.000 0.489 153 Y N 0.163 120.557 120.300 0.157 0.000 2.181 153 Y HA -0.021 4.483 4.550 -0.077 0.000 0.288 153 Y C 2.774 178.719 175.900 0.074 0.000 1.146 153 Y CA 0.634 58.794 58.100 0.100 0.000 1.164 153 Y CB -1.685 36.870 38.460 0.158 0.000 0.982 153 Y HN 0.077 nan 8.280 nan 0.000 0.515 154 G N 0.094 109.063 108.800 0.282 0.000 2.440 154 G HA2 -0.251 3.663 3.960 -0.077 0.000 0.218 154 G HA3 -0.251 3.663 3.960 -0.077 0.000 0.218 154 G C 1.748 176.762 174.900 0.190 0.000 1.154 154 G CA 0.859 46.174 45.100 0.357 0.000 0.767 154 G HN 0.335 nan 8.290 nan 0.000 0.552 155 K N 0.262 120.668 120.400 0.010 0.000 2.211 155 K HA -0.000 4.274 4.320 -0.077 0.000 0.203 155 K C 1.335 177.770 176.600 -0.275 0.000 1.050 155 K CA 0.811 57.011 56.287 -0.146 0.000 0.945 155 K CB -0.001 32.406 32.500 -0.154 0.000 0.732 155 K HN 0.219 nan 8.250 nan 0.000 0.451 156 N N 0.698 119.218 118.700 -0.300 0.000 2.214 156 N HA 0.052 4.746 4.740 -0.077 0.000 0.214 156 N C -0.659 174.620 175.510 -0.385 0.000 1.132 156 N CA 0.153 52.951 53.050 -0.419 0.000 0.856 156 N CB 0.800 38.979 38.487 -0.513 0.000 1.020 156 N HN 0.069 nan 8.380 nan 0.000 0.509 157 K N 0.079 120.275 120.400 -0.341 0.000 3.160 157 K HA -0.171 4.103 4.320 -0.077 0.000 0.280 157 K C -0.286 176.238 176.600 -0.128 0.000 1.154 157 K CA 0.557 56.493 56.287 -0.584 0.000 0.822 157 K CB -1.537 30.174 32.500 -1.315 0.000 1.239 157 K HN 0.285 nan 8.250 nan 0.000 0.489 158 M N 1.624 121.251 119.600 0.046 0.000 2.185 158 M HA 0.052 4.486 4.480 -0.077 0.000 0.357 158 M C 1.238 177.693 176.300 0.259 0.000 1.260 158 M CA 0.010 55.386 55.300 0.126 0.000 1.124 158 M CB 0.550 33.166 32.600 0.026 0.000 1.600 158 M HN 0.200 nan 8.290 nan 0.000 0.467 159 N N 0.591 119.461 118.700 0.283 0.000 2.184 159 N HA 0.089 4.782 4.740 -0.077 0.000 0.206 159 N C -0.826 174.856 175.510 0.285 0.000 1.151 159 N CA -0.199 53.058 53.050 0.345 0.000 0.878 159 N CB 0.688 39.426 38.487 0.419 0.000 1.014 159 N HN 0.383 nan 8.380 nan 0.000 0.512 160 T N 0.652 115.337 114.554 0.218 0.000 2.879 160 T HA 0.257 4.561 4.350 -0.077 0.000 0.290 160 T C -2.159 172.622 174.700 0.134 0.000 0.993 160 T CA -0.445 61.758 62.100 0.172 0.000 0.975 160 T CB 1.407 70.380 68.868 0.176 0.000 0.981 160 T HN 0.169 nan 8.240 nan 0.000 0.439 161 Y N 4.272 124.572 120.300 0.000 0.000 2.332 161 Y HA 0.621 5.125 4.550 -0.077 0.000 0.326 161 Y C -1.344 174.434 175.900 -0.204 0.000 0.978 161 Y CA -1.593 56.479 58.100 -0.047 0.000 1.205 161 Y CB 0.574 39.107 38.460 0.121 0.000 1.131 161 Y HN 0.592 nan 8.280 nan 0.000 0.462 162 I N 7.841 128.033 120.570 -0.630 0.000 2.307 162 I HA 0.148 4.272 4.170 -0.077 0.000 0.289 162 I C -0.954 174.564 176.117 -0.997 0.000 1.021 162 I CA -0.897 59.997 61.300 -0.676 0.000 1.224 162 I CB 0.674 38.453 38.000 -0.369 0.000 1.376 162 I HN 0.635 nan 8.210 nan 0.000 0.470 163 Y N 6.083 125.661 120.300 -1.202 0.000 2.404 163 Y HA 0.527 5.030 4.550 -0.077 0.000 0.344 163 Y C 0.671 176.078 175.900 -0.821 0.000 0.995 163 Y CA -0.233 57.265 58.100 -1.003 0.000 1.201 163 Y CB 0.984 39.029 38.460 -0.692 0.000 1.151 163 Y HN 0.602 nan 8.280 nan 0.000 0.517 164 G N 7.158 115.279 108.800 -1.133 0.000 5.072 164 G HA2 0.163 4.077 3.960 -0.077 0.000 0.208 164 G HA3 0.163 4.077 3.960 -0.077 0.000 0.208 164 G C -3.348 170.754 174.900 -1.330 0.000 0.804 164 G CA -0.875 43.419 45.100 -1.344 0.000 0.619 164 G HN 0.425 nan 8.290 nan 0.000 0.427 165 P HA 0.157 nan 4.420 nan 0.000 0.271 165 P C 0.968 177.877 177.300 -0.653 0.000 1.226 165 P CA -0.209 62.290 63.100 -1.002 0.000 0.765 165 P CB 1.508 32.721 31.700 -0.812 0.000 0.835 166 K N 2.054 122.102 120.400 -0.587 0.000 2.160 166 K HA -0.150 4.124 4.320 -0.077 0.000 0.206 166 K C 0.629 177.159 176.600 -0.116 0.000 1.047 166 K CA 1.591 57.636 56.287 -0.404 0.000 0.930 166 K CB -0.349 31.683 32.500 -0.780 0.000 0.720 166 K HN 0.486 nan 8.250 nan 0.000 0.450 167 D N 0.775 121.117 120.400 -0.096 0.000 2.339 167 D HA -0.060 4.534 4.640 -0.077 0.000 0.217 167 D C 0.025 176.367 176.300 0.070 0.000 1.050 167 D CA 0.188 54.209 54.000 0.035 0.000 0.856 167 D CB -0.065 40.783 40.800 0.080 0.000 0.922 167 D HN 0.122 nan 8.370 nan 0.000 0.518 168 D N 1.623 122.064 120.400 0.068 0.000 2.338 168 D HA 0.013 4.606 4.640 -0.077 0.000 0.255 168 D C -1.353 175.074 176.300 0.211 0.000 1.237 168 D CA -1.829 52.293 54.000 0.204 0.000 0.883 168 D CB 1.526 42.503 40.800 0.294 0.000 1.087 168 D HN -0.049 nan 8.370 nan 0.000 0.485 169 P HA -0.185 nan 4.420 nan 0.000 0.218 169 P C 0.637 177.796 177.300 -0.235 0.000 1.148 169 P CA 1.176 64.207 63.100 -0.116 0.000 0.822 169 P CB -0.072 31.447 31.700 -0.300 0.000 0.784 170 Y N -2.069 118.268 120.300 0.061 0.000 2.490 170 Y HA 0.017 4.520 4.550 -0.077 0.000 0.281 170 Y C 2.607 178.672 175.900 0.274 0.000 1.174 170 Y CA 0.509 58.559 58.100 -0.083 0.000 1.295 170 Y CB -0.882 37.098 38.460 -0.800 0.000 1.062 170 Y HN 0.162 nan 8.280 nan 0.000 0.522 171 H N -1.874 117.418 119.070 0.370 0.000 2.476 171 H HA 0.245 4.755 4.556 -0.076 0.000 0.292 171 H C 1.199 176.633 175.328 0.177 0.000 1.019 171 H CA 0.769 56.981 56.048 0.274 0.000 1.330 171 H CB 0.434 30.284 29.762 0.146 0.000 1.451 171 H HN 0.042 nan 8.280 nan 0.000 0.535 172 S N -0.981 114.762 115.700 0.071 0.000 2.795 172 S HA 0.755 5.179 4.470 -0.077 0.000 0.308 172 S C -0.712 174.039 174.600 0.252 0.000 1.098 172 S CA -0.420 57.837 58.200 0.095 0.000 0.934 172 S CB 0.723 64.033 63.200 0.183 0.000 1.300 172 S HN 0.554 nan 8.310 nan 0.000 0.566 173 A N 1.867 124.844 122.820 0.262 0.000 2.340 173 A HA 0.538 4.812 4.320 -0.077 0.000 0.268 173 A C -1.415 176.221 177.584 0.087 0.000 1.100 173 A CA -1.174 51.023 52.037 0.268 0.000 0.803 173 A CB -0.309 18.821 19.000 0.216 0.000 1.043 173 A HN 0.713 nan 8.150 nan 0.000 0.488 174 P HA -0.071 nan 4.420 nan 0.000 0.220 174 P C 0.339 177.467 177.300 -0.287 0.000 1.148 174 P CA 1.231 64.266 63.100 -0.108 0.000 0.803 174 P CB 0.254 31.877 31.700 -0.128 0.000 0.782 175 N N -1.229 117.341 118.700 -0.216 0.000 2.171 175 N HA 0.039 4.733 4.740 -0.077 0.000 0.212 175 N C 1.314 176.729 175.510 -0.159 0.000 1.184 175 N CA -0.267 52.605 53.050 -0.297 0.000 0.888 175 N CB -0.295 37.913 38.487 -0.465 0.000 1.038 175 N HN 0.338 nan 8.380 nan 0.000 0.517 176 W N 0.831 122.103 121.300 -0.047 0.000 2.387 176 W HA -0.096 4.518 4.660 -0.077 0.000 0.272 176 W C 0.738 177.299 176.519 0.070 0.000 1.224 176 W CA 0.215 57.588 57.345 0.046 0.000 1.210 176 W CB -0.551 28.896 29.460 -0.022 0.000 1.125 176 W HN 0.016 nan 8.180 nan 0.000 0.572 177 R N 0.153 120.238 120.500 -0.692 0.000 2.148 177 R HA -0.025 4.269 4.340 -0.077 0.000 0.223 177 R C 0.563 176.750 176.300 -0.188 0.000 1.088 177 R CA 0.405 56.119 56.100 -0.643 0.000 0.985 177 R CB -0.439 29.339 30.300 -0.871 0.000 0.880 177 R HN -0.006 nan 8.270 nan 0.000 0.451 178 L N 1.629 122.804 121.223 -0.080 0.000 2.350 178 L HA 0.263 4.557 4.340 -0.077 0.000 0.275 178 L C -2.130 174.791 176.870 0.086 0.000 1.099 178 L CA -2.535 52.330 54.840 0.042 0.000 0.808 178 L CB 0.604 42.758 42.059 0.158 0.000 1.149 178 L HN -0.161 nan 8.230 nan 0.000 0.442 179 P HA 0.078 nan 4.420 nan 0.000 0.272 179 P C -1.012 176.180 177.300 -0.180 0.000 1.223 179 P CA -0.249 62.839 63.100 -0.020 0.000 0.784 179 P CB 0.178 31.872 31.700 -0.009 0.000 0.923 180 Y N 1.717 121.857 120.300 -0.267 0.000 2.702 180 Y HA 0.048 4.551 4.550 -0.077 0.000 0.336 180 Y C -1.241 174.413 175.900 -0.409 0.000 1.235 180 Y CA -0.749 57.034 58.100 -0.527 0.000 1.492 180 Y CB -1.121 37.139 38.460 -0.332 0.000 1.308 180 Y HN 0.394 nan 8.280 nan 0.000 0.589 181 P HA -0.076 nan 4.420 nan 0.000 0.270 181 P C 0.191 177.447 177.300 -0.074 0.000 1.221 181 P CA 0.056 63.071 63.100 -0.142 0.000 0.788 181 P CB 0.731 32.367 31.700 -0.108 0.000 0.904 182 D N 0.824 121.191 120.400 -0.055 0.000 2.133 182 D HA -0.196 4.398 4.640 -0.077 0.000 0.195 182 D C 1.666 177.927 176.300 -0.065 0.000 0.997 182 D CA 1.476 55.443 54.000 -0.054 0.000 0.840 182 D CB -0.249 40.526 40.800 -0.041 0.000 0.947 182 D HN 0.493 nan 8.370 nan 0.000 0.452 183 K N 0.910 121.278 120.400 -0.053 0.000 1.991 183 K HA -0.229 4.045 4.320 -0.077 0.000 0.212 183 K C 1.946 178.493 176.600 -0.090 0.000 1.049 183 K CA 1.549 57.800 56.287 -0.061 0.000 0.932 183 K CB -0.026 32.454 32.500 -0.034 0.000 0.717 183 K HN -0.109 nan 8.250 nan 0.000 0.441 184 E N 0.294 120.459 120.200 -0.058 0.000 2.085 184 E HA -0.164 4.140 4.350 -0.077 0.000 0.194 184 E C 1.836 178.311 176.600 -0.209 0.000 0.994 184 E CA 1.494 57.851 56.400 -0.071 0.000 0.801 184 E CB -0.257 29.503 29.700 0.099 0.000 0.743 184 E HN 0.494 nan 8.360 nan 0.000 0.453 185 A N 0.845 123.561 122.820 -0.174 0.000 1.883 185 A HA -0.158 4.116 4.320 -0.077 0.000 0.217 185 A C 2.364 179.817 177.584 -0.218 0.000 1.186 185 A CA 2.003 53.906 52.037 -0.223 0.000 0.624 185 A CB -0.884 18.041 19.000 -0.125 0.000 0.822 185 A HN 0.308 nan 8.150 nan 0.000 0.444 186 A N -1.021 121.700 122.820 -0.164 0.000 1.969 186 A HA -0.153 4.121 4.320 -0.077 0.000 0.218 186 A C 2.111 179.594 177.584 -0.169 0.000 1.169 186 A CA 1.505 53.454 52.037 -0.146 0.000 0.635 186 A CB -0.456 18.476 19.000 -0.113 0.000 0.810 186 A HN 0.671 nan 8.150 nan 0.000 0.445 187 Q N -0.529 119.139 119.800 -0.220 0.000 2.046 187 Q HA -0.062 4.232 4.340 -0.077 0.000 0.200 187 Q C 2.049 177.987 176.000 -0.103 0.000 0.975 187 Q CA 1.346 56.984 55.803 -0.275 0.000 0.836 187 Q CB -0.289 28.197 28.738 -0.421 0.000 0.896 187 Q HN 0.664 nan 8.270 nan 0.000 0.428 188 L N 0.497 121.576 121.223 -0.239 0.000 2.046 188 L HA -0.240 4.054 4.340 -0.077 0.000 0.208 188 L C 2.614 179.246 176.870 -0.396 0.000 1.077 188 L CA 1.274 55.894 54.840 -0.366 0.000 0.747 188 L CB -0.402 41.284 42.059 -0.621 0.000 0.896 188 L HN 0.280 nan 8.230 nan 0.000 0.432 189 Q N -0.033 119.579 119.800 -0.314 0.000 2.096 189 Q HA -0.318 3.976 4.340 -0.077 0.000 0.208 189 Q C 2.234 178.127 176.000 -0.178 0.000 0.993 189 Q CA 2.261 57.915 55.803 -0.249 0.000 0.862 189 Q CB -0.085 28.544 28.738 -0.181 0.000 0.915 189 Q HN 0.457 nan 8.270 nan 0.000 0.416 190 E N -0.193 119.949 120.200 -0.098 0.000 2.110 190 E HA -0.192 4.112 4.350 -0.077 0.000 0.193 190 E C 2.034 178.624 176.600 -0.018 0.000 0.988 190 E CA 0.821 57.209 56.400 -0.020 0.000 0.804 190 E CB -0.060 29.685 29.700 0.075 0.000 0.745 190 E HN 0.401 nan 8.360 nan 0.000 0.458 191 L N 0.300 121.520 121.223 -0.005 0.000 2.042 191 L HA -0.194 4.100 4.340 -0.077 0.000 0.210 191 L C 2.542 179.386 176.870 -0.043 0.000 1.076 191 L CA 0.818 55.668 54.840 0.016 0.000 0.749 191 L CB -0.413 41.746 42.059 0.167 0.000 0.893 191 L HN 0.116 nan 8.230 nan 0.000 0.432 192 V N 0.063 119.818 119.914 -0.266 0.000 2.295 192 V HA -0.286 3.788 4.120 -0.077 0.000 0.246 192 V C 2.796 178.821 176.094 -0.114 0.000 1.049 192 V CA 1.746 63.893 62.300 -0.255 0.000 1.024 192 V CB -0.908 30.663 31.823 -0.420 0.000 0.648 192 V HN 0.480 nan 8.190 nan 0.000 0.447 193 A N -0.036 122.716 122.820 -0.112 0.000 1.884 193 A HA -0.223 4.051 4.320 -0.077 0.000 0.219 193 A C 2.394 179.936 177.584 -0.069 0.000 1.197 193 A CA 2.545 54.536 52.037 -0.076 0.000 0.637 193 A CB -0.878 18.084 19.000 -0.063 0.000 0.827 193 A HN 0.348 nan 8.150 nan 0.000 0.450 194 V N -0.361 119.519 119.914 -0.057 0.000 2.358 194 V HA -0.200 3.874 4.120 -0.077 0.000 0.246 194 V C 3.041 179.099 176.094 -0.060 0.000 1.047 194 V CA 1.842 64.105 62.300 -0.061 0.000 1.035 194 V CB -1.292 30.496 31.823 -0.057 0.000 0.658 194 V HN 0.655 nan 8.190 nan 0.000 0.452 195 A N 0.668 123.490 122.820 0.003 0.000 1.865 195 A HA -0.261 4.013 4.320 -0.077 0.000 0.217 195 A C 2.087 179.652 177.584 -0.031 0.000 1.191 195 A CA 2.157 54.230 52.037 0.059 0.000 0.623 195 A CB -0.787 18.354 19.000 0.234 0.000 0.826 195 A HN 0.583 nan 8.150 nan 0.000 0.444 196 N N 0.100 118.763 118.700 -0.061 0.000 2.037 196 N HA -0.208 4.486 4.740 -0.077 0.000 0.196 196 N C 1.573 176.813 175.510 -0.450 0.000 1.034 196 N CA 1.838 54.807 53.050 -0.136 0.000 0.861 196 N CB -0.633 37.816 38.487 -0.064 0.000 1.039 196 N HN 0.687 nan 8.380 nan 0.000 0.427 197 E N -0.115 119.793 120.200 -0.486 0.000 2.267 197 E HA -0.096 4.208 4.350 -0.077 0.000 0.197 197 E C 0.490 176.650 176.600 -0.734 0.000 0.998 197 E CA 0.815 56.756 56.400 -0.766 0.000 0.830 197 E CB -0.109 29.421 29.700 -0.284 0.000 0.751 197 E HN 0.455 nan 8.360 nan 0.000 0.491 198 N N -0.218 118.202 118.700 -0.467 0.000 2.187 198 N HA 0.011 4.705 4.740 -0.077 0.000 0.212 198 N C -0.860 174.444 175.510 -0.344 0.000 1.152 198 N CA -0.028 52.846 53.050 -0.294 0.000 0.872 198 N CB 0.924 39.406 38.487 -0.009 0.000 1.025 198 N HN -0.083 nan 8.380 nan 0.000 0.514 199 E N -0.526 119.403 120.200 -0.452 0.000 2.513 199 E HA -0.149 4.155 4.350 -0.077 0.000 0.257 199 E C -0.983 175.640 176.600 0.038 0.000 1.098 199 E CA 0.414 56.667 56.400 -0.247 0.000 0.752 199 E CB -1.830 27.634 29.700 -0.395 0.000 1.324 199 E HN 0.091 nan 8.360 nan 0.000 0.403 200 V N 1.203 121.166 119.914 0.082 0.000 2.435 200 V HA 0.203 4.277 4.120 -0.077 0.000 0.290 200 V C 0.440 176.648 176.094 0.189 0.000 1.030 200 V CA -0.759 61.663 62.300 0.202 0.000 0.881 200 V CB 1.853 33.845 31.823 0.281 0.000 0.983 200 V HN -0.035 nan 8.190 nan 0.000 0.445 201 D N 3.906 124.428 120.400 0.203 0.000 2.346 201 D HA 0.125 4.719 4.640 -0.077 0.000 0.260 201 D C -0.269 176.157 176.300 0.209 0.000 1.252 201 D CA 0.182 54.289 54.000 0.178 0.000 0.895 201 D CB 0.536 41.422 40.800 0.143 0.000 1.097 201 D HN 0.443 nan 8.370 nan 0.000 0.489 202 F N 3.126 123.135 119.950 0.099 0.000 2.494 202 F HA 0.112 4.593 4.527 -0.077 0.000 0.369 202 F C -0.151 175.627 175.800 -0.036 0.000 1.098 202 F CA -0.364 57.709 58.000 0.120 0.000 1.154 202 F CB 0.445 39.500 39.000 0.092 0.000 1.103 202 F HN 0.006 nan 8.300 nan 0.000 0.549 203 V N 7.527 127.342 119.914 -0.164 0.000 2.311 203 V HA 0.036 4.110 4.120 -0.077 0.000 0.275 203 V C -0.646 175.320 176.094 -0.212 0.000 1.022 203 V CA -0.781 61.411 62.300 -0.180 0.000 0.830 203 V CB 0.478 32.172 31.823 -0.214 0.000 1.012 203 V HN 0.763 nan 8.190 nan 0.000 0.452 204 W N 5.439 126.581 121.300 -0.264 0.000 2.322 204 W HA 0.648 5.262 4.660 -0.077 0.000 0.307 204 W C 0.257 176.689 176.519 -0.145 0.000 1.220 204 W CA -0.261 57.017 57.345 -0.112 0.000 1.210 204 W CB 0.944 30.386 29.460 -0.030 0.000 1.223 204 W HN 0.638 nan 8.180 nan 0.000 0.511 205 A N 7.273 129.595 122.820 -0.830 0.000 2.306 205 A HA 0.749 5.023 4.320 -0.077 0.000 0.330 205 A C -1.429 175.493 177.584 -1.104 0.000 1.146 205 A CA -0.799 50.672 52.037 -0.945 0.000 0.827 205 A CB 1.051 19.210 19.000 -1.401 0.000 1.178 205 A HN 0.750 nan 8.150 nan 0.000 0.490 206 I N 0.615 120.733 120.570 -0.753 0.000 2.646 206 I HA 0.397 4.521 4.170 -0.077 0.000 0.299 206 I C -0.753 174.943 176.117 -0.701 0.000 1.036 206 I CA -0.515 60.378 61.300 -0.678 0.000 1.074 206 I CB 1.753 39.637 38.000 -0.194 0.000 1.258 206 I HN 0.823 nan 8.210 nan 0.000 0.430 207 H N 7.870 126.380 119.070 -0.933 0.000 2.488 207 H HA 0.384 4.895 4.556 -0.076 0.000 0.237 207 H C -2.471 172.458 175.328 -0.664 0.000 1.395 207 H CA -1.621 53.996 56.048 -0.718 0.000 1.491 207 H CB 1.427 30.772 29.762 -0.694 0.000 1.567 207 H HN 0.391 nan 8.280 nan 0.000 0.508 208 P HA 0.132 nan 4.420 nan 0.000 0.259 208 P C 1.444 178.342 177.300 -0.670 0.000 1.233 208 P CA 0.469 62.739 63.100 -1.384 0.000 0.827 208 P CB 0.411 30.920 31.700 -1.986 0.000 1.154 209 G N 0.741 109.249 108.800 -0.485 0.000 2.509 209 G HA2 -0.237 3.677 3.960 -0.077 0.000 0.218 209 G HA3 -0.237 3.677 3.960 -0.077 0.000 0.218 209 G C 1.639 176.483 174.900 -0.093 0.000 1.124 209 G CA 0.411 45.450 45.100 -0.101 0.000 0.776 209 G HN 0.228 nan 8.290 nan 0.000 0.547 210 Q N 1.263 120.992 119.800 -0.119 0.000 2.167 210 Q HA -0.058 4.236 4.340 -0.077 0.000 0.202 210 Q C 1.444 177.442 176.000 -0.003 0.000 0.970 210 Q CA 1.804 57.593 55.803 -0.023 0.000 0.855 210 Q CB 0.042 28.793 28.738 0.022 0.000 0.911 210 Q HN 0.607 nan 8.270 nan 0.000 0.438 211 D N -2.028 118.386 120.400 0.023 0.000 2.556 211 D HA 0.049 4.643 4.640 -0.077 0.000 0.237 211 D C 0.139 176.452 176.300 0.021 0.000 1.296 211 D CA -0.441 53.580 54.000 0.035 0.000 0.807 211 D CB -0.747 40.094 40.800 0.069 0.000 1.084 211 D HN 0.292 nan 8.370 nan 0.000 0.510 212 I N 0.906 121.433 120.570 -0.073 0.000 2.845 212 I HA -0.067 4.057 4.170 -0.077 0.000 0.296 212 I C -0.161 175.733 176.117 -0.371 0.000 1.216 212 I CA 0.429 61.592 61.300 -0.228 0.000 1.438 212 I CB 0.404 38.047 38.000 -0.594 0.000 1.342 212 I HN -0.243 nan 8.210 nan 0.000 0.577 213 K N 6.505 126.744 120.400 -0.267 0.000 2.185 213 K HA 0.235 4.509 4.320 -0.077 0.000 0.269 213 K C -1.280 175.162 176.600 -0.263 0.000 0.987 213 K CA -0.071 56.077 56.287 -0.233 0.000 0.865 213 K CB 0.811 33.266 32.500 -0.075 0.000 1.090 213 K HN 0.455 nan 8.250 nan 0.000 0.450 214 W N 4.595 125.902 121.300 0.011 0.000 1.303 214 W HA 0.067 4.681 4.660 -0.076 0.000 0.478 214 W C 0.146 176.649 176.519 -0.027 0.000 0.604 214 W CA -0.598 56.737 57.345 -0.016 0.000 2.319 214 W CB -0.477 28.964 29.460 -0.032 0.000 1.443 214 W HN 0.548 nan 8.180 nan 0.000 0.249 215 N N -0.536 118.240 118.700 0.126 0.000 2.761 215 N HA 0.256 4.949 4.740 -0.077 0.000 0.283 215 N C 0.782 176.306 175.510 0.024 0.000 1.377 215 N CA -1.123 51.965 53.050 0.064 0.000 0.791 215 N CB 0.754 39.262 38.487 0.035 0.000 1.540 215 N HN 0.047 nan 8.380 nan 0.000 0.539 216 K N -0.400 119.998 120.400 -0.004 0.000 2.155 216 K HA -0.102 4.172 4.320 -0.077 0.000 0.203 216 K C 1.255 177.844 176.600 -0.017 0.000 1.052 216 K CA 1.134 57.402 56.287 -0.033 0.000 0.948 216 K CB -0.023 32.461 32.500 -0.027 0.000 0.728 216 K HN 0.677 nan 8.250 nan 0.000 0.448 217 E N 0.674 120.870 120.200 -0.006 0.000 2.031 217 E HA -0.222 4.082 4.350 -0.077 0.000 0.193 217 E C 1.257 177.859 176.600 0.004 0.000 0.994 217 E CA 1.770 58.166 56.400 -0.008 0.000 0.800 217 E CB -0.025 29.665 29.700 -0.017 0.000 0.752 217 E HN 0.333 nan 8.360 nan 0.000 0.447 218 D N -0.136 120.279 120.400 0.026 0.000 2.178 218 D HA -0.137 4.457 4.640 -0.077 0.000 0.202 218 D C 1.958 178.352 176.300 0.157 0.000 0.974 218 D CA 0.634 54.703 54.000 0.115 0.000 0.841 218 D CB -0.220 40.663 40.800 0.140 0.000 0.953 218 D HN 0.137 nan 8.370 nan 0.000 0.478 219 R N 0.700 121.232 120.500 0.054 0.000 2.070 219 R HA -0.137 4.157 4.340 -0.077 0.000 0.233 219 R C 1.150 177.459 176.300 0.015 0.000 1.137 219 R CA 1.527 57.624 56.100 -0.005 0.000 0.945 219 R CB -0.010 30.209 30.300 -0.136 0.000 0.845 219 R HN 0.036 nan 8.270 nan 0.000 0.430 220 D N 0.602 121.013 120.400 0.017 0.000 2.178 220 D HA -0.144 4.450 4.640 -0.077 0.000 0.201 220 D C 1.830 178.157 176.300 0.045 0.000 0.980 220 D CA 0.646 54.671 54.000 0.042 0.000 0.842 220 D CB -0.067 40.752 40.800 0.031 0.000 0.948 220 D HN 0.162 nan 8.370 nan 0.000 0.472 221 L N 0.516 121.773 121.223 0.055 0.000 2.093 221 L HA -0.033 4.261 4.340 -0.077 0.000 0.208 221 L C 2.321 179.283 176.870 0.153 0.000 1.085 221 L CA 0.941 55.812 54.840 0.053 0.000 0.755 221 L CB -1.086 40.943 42.059 -0.051 0.000 0.904 221 L HN 0.086 nan 8.230 nan 0.000 0.435 222 L N -1.455 119.902 121.223 0.223 0.000 1.994 222 L HA -0.219 4.075 4.340 -0.077 0.000 0.208 222 L C 2.344 179.111 176.870 -0.171 0.000 1.071 222 L CA 1.121 56.012 54.840 0.086 0.000 0.745 222 L CB -0.189 41.788 42.059 -0.138 0.000 0.892 222 L HN 0.137 nan 8.230 nan 0.000 0.431 223 L N -0.183 120.952 121.223 -0.146 0.000 2.046 223 L HA -0.193 4.101 4.340 -0.077 0.000 0.208 223 L C 2.860 179.681 176.870 -0.082 0.000 1.077 223 L CA 1.968 56.699 54.840 -0.183 0.000 0.747 223 L CB -1.925 40.111 42.059 -0.039 0.000 0.896 223 L HN 0.411 nan 8.230 nan 0.000 0.432 224 A N -0.213 122.610 122.820 0.005 0.000 1.933 224 A HA -0.251 4.023 4.320 -0.077 0.000 0.218 224 A C 2.367 179.994 177.584 0.072 0.000 1.175 224 A CA 1.912 53.973 52.037 0.039 0.000 0.628 224 A CB -0.368 18.655 19.000 0.037 0.000 0.814 224 A HN 0.263 nan 8.150 nan 0.000 0.444 225 K N -0.732 119.736 120.400 0.112 0.000 2.026 225 K HA -0.085 4.189 4.320 -0.077 0.000 0.208 225 K C 1.513 178.270 176.600 0.261 0.000 1.048 225 K CA 1.436 57.839 56.287 0.192 0.000 0.929 225 K CB -0.670 32.025 32.500 0.324 0.000 0.713 225 K HN 0.300 nan 8.250 nan 0.000 0.439 226 F N 1.513 121.432 119.950 -0.052 0.000 2.095 226 F HA -0.128 4.353 4.527 -0.077 0.000 0.298 226 F C 2.355 178.078 175.800 -0.128 0.000 1.104 226 F CA 1.659 59.529 58.000 -0.216 0.000 1.232 226 F CB -1.080 37.399 39.000 -0.868 0.000 0.987 226 F HN 0.239 nan 8.300 nan 0.000 0.475 227 E N 0.585 120.825 120.200 0.067 0.000 2.058 227 E HA -0.194 4.110 4.350 -0.077 0.000 0.194 227 E C 2.159 178.902 176.600 0.239 0.000 0.997 227 E CA 1.517 58.057 56.400 0.234 0.000 0.801 227 E CB -0.152 29.640 29.700 0.153 0.000 0.746 227 E HN 0.003 nan 8.360 nan 0.000 0.450 228 K N -0.341 120.145 120.400 0.144 0.000 2.032 228 K HA -0.121 4.153 4.320 -0.077 0.000 0.209 228 K C 2.001 178.634 176.600 0.056 0.000 1.048 228 K CA 1.458 57.797 56.287 0.086 0.000 0.927 228 K CB -0.336 32.189 32.500 0.043 0.000 0.712 228 K HN 0.293 nan 8.250 nan 0.000 0.441 229 M N -0.455 119.168 119.600 0.039 0.000 2.117 229 M HA -0.171 4.263 4.480 -0.077 0.000 0.262 229 M C 2.160 178.530 176.300 0.116 0.000 1.065 229 M CA 1.321 56.583 55.300 -0.064 0.000 1.114 229 M CB -1.366 31.122 32.600 -0.187 0.000 1.361 229 M HN 0.104 nan 8.290 nan 0.000 0.408 230 Y N 1.764 122.233 120.300 0.283 0.000 2.081 230 Y HA -0.322 4.182 4.550 -0.077 0.000 0.280 230 Y C 2.459 178.422 175.900 0.104 0.000 1.163 230 Y CA 2.246 60.525 58.100 0.297 0.000 1.135 230 Y CB -0.382 38.301 38.460 0.372 0.000 0.970 230 Y HN 0.369 nan 8.280 nan 0.000 0.498 231 Q N -0.262 119.674 119.800 0.226 0.000 2.234 231 Q HA -0.177 4.117 4.340 -0.077 0.000 0.206 231 Q C 1.878 177.851 176.000 -0.045 0.000 0.980 231 Q CA 1.598 57.455 55.803 0.089 0.000 0.869 231 Q CB -0.254 28.542 28.738 0.096 0.000 0.912 231 Q HN 0.534 nan 8.270 nan 0.000 0.436 232 L N -1.086 120.077 121.223 -0.100 0.000 2.599 232 L HA 0.140 4.434 4.340 -0.077 0.000 0.230 232 L C 1.198 177.924 176.870 -0.240 0.000 1.141 232 L CA 0.472 55.200 54.840 -0.186 0.000 0.877 232 L CB 0.024 41.927 42.059 -0.260 0.000 1.009 232 L HN 0.430 nan 8.230 nan 0.000 0.447 233 G N -0.674 107.975 108.800 -0.252 0.000 2.201 233 G HA2 -0.228 3.686 3.960 -0.077 0.000 0.212 233 G HA3 -0.228 3.686 3.960 -0.077 0.000 0.212 233 G C 0.254 174.971 174.900 -0.306 0.000 0.994 233 G CA -0.170 44.758 45.100 -0.286 0.000 0.644 233 G HN 0.039 nan 8.290 nan 0.000 0.508 234 V N 1.764 121.503 119.914 -0.293 0.000 2.585 234 V HA 0.411 4.485 4.120 -0.077 0.000 0.296 234 V C 1.358 177.349 176.094 -0.171 0.000 1.035 234 V CA 0.286 62.414 62.300 -0.287 0.000 1.084 234 V CB 1.357 32.943 31.823 -0.396 0.000 0.953 234 V HN 0.315 nan 8.190 nan 0.000 0.483 235 R N 1.778 122.194 120.500 -0.140 0.000 2.509 235 R HA 0.325 4.619 4.340 -0.077 0.000 0.297 235 R C -0.077 176.302 176.300 0.131 0.000 0.951 235 R CA -0.016 56.136 56.100 0.087 0.000 1.103 235 R CB 1.025 31.347 30.300 0.036 0.000 1.283 235 R HN 0.623 nan 8.270 nan 0.000 0.534 236 S N 0.331 115.917 115.700 -0.191 0.000 2.536 236 S HA 0.719 5.143 4.470 -0.077 0.000 0.287 236 S C -1.107 173.197 174.600 -0.494 0.000 1.101 236 S CA -0.430 57.708 58.200 -0.103 0.000 0.950 236 S CB 1.731 64.899 63.200 -0.053 0.000 1.056 236 S HN 0.014 nan 8.310 nan 0.000 0.481 237 F N 0.838 120.786 119.950 -0.003 0.000 2.613 237 F HA 0.843 5.324 4.527 -0.076 0.000 0.314 237 F C 0.138 175.904 175.800 -0.056 0.000 1.075 237 F CA -0.774 57.156 58.000 -0.117 0.000 0.945 237 F CB 1.912 40.672 39.000 -0.400 0.000 1.310 237 F HN 0.686 nan 8.300 nan 0.000 0.467 238 A N 0.826 123.692 122.820 0.076 0.000 2.572 238 A HA 0.862 5.136 4.320 -0.077 0.000 0.295 238 A C -2.020 175.563 177.584 -0.003 0.000 1.072 238 A CA -0.760 51.276 52.037 -0.001 0.000 0.691 238 A CB 1.701 20.554 19.000 -0.246 0.000 1.291 238 A HN 0.521 nan 8.150 nan 0.000 0.404 239 V N 1.911 121.850 119.914 0.042 0.000 2.443 239 V HA 0.544 4.618 4.120 -0.077 0.000 0.293 239 V C -1.344 174.719 176.094 -0.053 0.000 1.021 239 V CA -0.468 61.752 62.300 -0.135 0.000 0.848 239 V CB 1.049 32.801 31.823 -0.119 0.000 0.998 239 V HN 0.667 nan 8.190 nan 0.000 0.424 240 F N 4.345 124.064 119.950 -0.385 0.000 2.415 240 F HA 0.619 5.100 4.527 -0.077 0.000 0.348 240 F C 0.181 175.695 175.800 -0.476 0.000 1.119 240 F CA -1.665 56.212 58.000 -0.206 0.000 1.069 240 F CB 1.504 40.551 39.000 0.078 0.000 1.124 240 F HN 0.397 nan 8.300 nan 0.000 0.472 241 F N 0.887 120.967 119.950 0.216 0.000 2.735 241 F HA 0.146 4.628 4.527 -0.076 0.000 0.304 241 F C 0.365 176.241 175.800 0.127 0.000 1.119 241 F CA -0.950 57.108 58.000 0.097 0.000 1.280 241 F CB -0.169 38.929 39.000 0.162 0.000 0.994 241 F HN 0.244 nan 8.300 nan 0.000 0.520 242 D N -1.103 119.455 120.400 0.265 0.000 2.302 242 D HA 0.115 4.709 4.640 -0.077 0.000 0.248 242 D C 0.008 176.510 176.300 0.336 0.000 1.094 242 D CA -0.156 53.986 54.000 0.237 0.000 0.897 242 D CB 1.007 41.662 40.800 -0.242 0.000 1.200 242 D HN -0.022 nan 8.370 nan 0.000 0.429 243 D N -0.197 120.421 120.400 0.363 0.000 2.699 243 D HA -0.148 4.445 4.640 -0.077 0.000 0.239 243 D C -0.236 176.212 176.300 0.247 0.000 1.136 243 D CA 0.680 54.867 54.000 0.312 0.000 0.668 243 D CB -1.508 39.510 40.800 0.364 0.000 1.060 243 D HN 0.650 nan 8.370 nan 0.000 0.429 244 I N -4.448 116.225 120.570 0.171 0.000 2.934 244 I HA 0.791 4.915 4.170 -0.077 0.000 0.306 244 I C -0.168 175.985 176.117 0.061 0.000 1.110 244 I CA -0.864 60.503 61.300 0.111 0.000 1.019 244 I CB 2.606 40.654 38.000 0.080 0.000 1.227 244 I HN -0.082 nan 8.210 nan 0.000 0.434 245 S N 1.482 117.205 115.700 0.040 0.000 2.667 245 S HA 1.001 5.425 4.470 -0.077 0.000 0.292 245 S C -0.239 174.377 174.600 0.027 0.000 1.126 245 S CA 0.242 58.455 58.200 0.021 0.000 0.881 245 S CB 1.576 64.769 63.200 -0.012 0.000 1.132 245 S HN 1.747 nan 8.310 nan 0.000 0.492 246 G N 1.786 110.603 108.800 0.028 0.000 2.384 246 G HA2 -0.092 3.822 3.960 -0.077 0.000 0.204 246 G HA3 -0.092 3.822 3.960 -0.077 0.000 0.204 246 G C 0.143 175.086 174.900 0.071 0.000 1.237 246 G CA 0.131 45.252 45.100 0.036 0.000 1.060 246 G HN 0.563 nan 8.290 nan 0.000 0.514 247 E N 0.421 120.671 120.200 0.084 0.000 2.171 247 E HA -0.136 4.168 4.350 -0.077 0.000 0.197 247 E C 2.603 179.395 176.600 0.320 0.000 0.997 247 E CA 1.790 58.299 56.400 0.180 0.000 0.810 247 E CB -0.758 29.025 29.700 0.139 0.000 0.738 247 E HN 0.853 nan 8.360 nan 0.000 0.467 248 G N 0.837 109.728 108.800 0.151 0.000 2.498 248 G HA2 -0.252 3.662 3.960 -0.077 0.000 0.219 248 G HA3 -0.252 3.662 3.960 -0.077 0.000 0.219 248 G C 1.634 176.688 174.900 0.256 0.000 1.119 248 G CA 1.473 46.688 45.100 0.190 0.000 0.766 248 G HN 0.404 nan 8.290 nan 0.000 0.552 249 T N -1.679 112.988 114.554 0.190 0.000 3.113 249 T HA 0.040 4.344 4.350 -0.077 0.000 0.256 249 T C 1.149 175.941 174.700 0.153 0.000 1.131 249 T CA -0.122 62.067 62.100 0.150 0.000 1.074 249 T CB -0.218 68.711 68.868 0.100 0.000 0.944 249 T HN 0.154 nan 8.240 nan 0.000 0.516 250 N N 3.569 122.333 118.700 0.107 0.000 2.418 250 N HA 0.029 4.723 4.740 -0.077 0.000 0.277 250 N C -1.421 173.948 175.510 -0.234 0.000 1.317 250 N CA -1.338 51.676 53.050 -0.060 0.000 0.922 250 N CB 1.410 39.798 38.487 -0.165 0.000 1.194 250 N HN 0.189 nan 8.380 nan 0.000 0.485 251 P HA -0.170 nan 4.420 nan 0.000 0.218 251 P C 1.084 178.131 177.300 -0.422 0.000 1.149 251 P CA 1.173 63.990 63.100 -0.471 0.000 0.817 251 P CB 0.427 31.707 31.700 -0.699 0.000 0.785 252 Q N 0.497 120.078 119.800 -0.366 0.000 2.046 252 Q HA -0.135 4.159 4.340 -0.077 0.000 0.200 252 Q C 2.145 177.879 176.000 -0.443 0.000 0.975 252 Q CA 1.715 57.317 55.803 -0.335 0.000 0.836 252 Q CB -0.462 28.115 28.738 -0.268 0.000 0.896 252 Q HN -0.064 nan 8.270 nan 0.000 0.428 253 K N 0.331 120.314 120.400 -0.694 0.000 2.097 253 K HA -0.142 4.132 4.320 -0.077 0.000 0.206 253 K C 2.106 178.116 176.600 -0.982 0.000 1.049 253 K CA 1.496 57.090 56.287 -1.156 0.000 0.933 253 K CB -0.197 30.859 32.500 -2.407 0.000 0.717 253 K HN 0.477 nan 8.250 nan 0.000 0.442 254 Q N 0.172 119.534 119.800 -0.730 0.000 2.016 254 Q HA -0.061 4.233 4.340 -0.077 0.000 0.200 254 Q C 2.218 178.121 176.000 -0.162 0.000 0.978 254 Q CA 1.583 57.126 55.803 -0.433 0.000 0.833 254 Q CB -0.275 28.080 28.738 -0.638 0.000 0.895 254 Q HN 0.332 nan 8.270 nan 0.000 0.427 255 A N 1.281 123.981 122.820 -0.199 0.000 1.908 255 A HA -0.260 4.014 4.320 -0.077 0.000 0.218 255 A C 1.851 179.405 177.584 -0.051 0.000 1.181 255 A CA 1.711 53.692 52.037 -0.093 0.000 0.627 255 A CB -0.505 18.419 19.000 -0.127 0.000 0.818 255 A HN 0.355 nan 8.150 nan 0.000 0.445 256 E N -0.877 119.253 120.200 -0.115 0.000 2.077 256 E HA -0.194 4.110 4.350 -0.077 0.000 0.193 256 E C 1.937 178.563 176.600 0.043 0.000 0.989 256 E CA 1.212 57.578 56.400 -0.056 0.000 0.800 256 E CB -0.247 29.376 29.700 -0.129 0.000 0.746 256 E HN 0.509 nan 8.360 nan 0.000 0.452 257 L N 0.861 122.112 121.223 0.048 0.000 2.017 257 L HA -0.180 4.114 4.340 -0.077 0.000 0.208 257 L C 2.020 179.019 176.870 0.215 0.000 1.073 257 L CA 1.546 56.490 54.840 0.173 0.000 0.745 257 L CB -0.398 41.846 42.059 0.309 0.000 0.894 257 L HN 0.159 nan 8.230 nan 0.000 0.432 258 L N -0.220 121.119 121.223 0.194 0.000 2.056 258 L HA -0.187 4.107 4.340 -0.077 0.000 0.207 258 L C 2.384 179.358 176.870 0.173 0.000 1.078 258 L CA 1.479 56.440 54.840 0.201 0.000 0.749 258 L CB -1.632 40.550 42.059 0.205 0.000 0.901 258 L HN 0.405 nan 8.230 nan 0.000 0.433 259 N N -0.556 118.226 118.700 0.137 0.000 2.104 259 N HA -0.267 4.427 4.740 -0.077 0.000 0.190 259 N C 1.783 177.375 175.510 0.136 0.000 1.024 259 N CA 1.254 54.372 53.050 0.114 0.000 0.853 259 N CB -0.611 37.923 38.487 0.079 0.000 1.008 259 N HN 0.323 nan 8.380 nan 0.000 0.424 260 Y N 1.459 121.792 120.300 0.054 0.000 2.128 260 Y HA -0.132 4.371 4.550 -0.077 0.000 0.284 260 Y C 2.189 178.137 175.900 0.079 0.000 1.154 260 Y CA 1.456 59.589 58.100 0.055 0.000 1.149 260 Y CB -0.367 38.120 38.460 0.045 0.000 0.976 260 Y HN 0.006 nan 8.280 nan 0.000 0.505 261 I N -0.200 120.481 120.570 0.185 0.000 2.226 261 I HA -0.303 3.821 4.170 -0.077 0.000 0.245 261 I C 2.226 178.443 176.117 0.167 0.000 1.100 261 I CA 1.708 63.105 61.300 0.161 0.000 1.374 261 I CB -0.513 37.615 38.000 0.214 0.000 1.057 261 I HN 0.239 nan 8.210 nan 0.000 0.413 262 D N 1.085 121.569 120.400 0.141 0.000 2.087 262 D HA -0.221 4.373 4.640 -0.077 0.000 0.192 262 D C 2.082 178.405 176.300 0.037 0.000 0.993 262 D CA 1.746 55.812 54.000 0.110 0.000 0.828 262 D CB -0.015 40.845 40.800 0.099 0.000 0.968 262 D HN 0.319 nan 8.370 nan 0.000 0.448 263 E N -0.698 119.492 120.200 -0.018 0.000 2.051 263 E HA -0.135 4.169 4.350 -0.077 0.000 0.192 263 E C 1.585 178.107 176.600 -0.129 0.000 0.991 263 E CA 0.986 57.342 56.400 -0.073 0.000 0.799 263 E CB 0.120 29.771 29.700 -0.082 0.000 0.748 263 E HN 0.098 nan 8.360 nan 0.000 0.449 264 K N -1.018 119.241 120.400 -0.236 0.000 2.387 264 K HA 0.131 4.405 4.320 -0.077 0.000 0.198 264 K C 0.406 176.988 176.600 -0.030 0.000 1.022 264 K CA 0.153 56.300 56.287 -0.233 0.000 1.128 264 K CB 0.613 32.785 32.500 -0.548 0.000 0.853 264 K HN 0.117 nan 8.250 nan 0.000 0.523 265 F N -0.648 119.210 119.950 -0.154 0.000 1.793 265 F HA 0.219 4.700 4.527 -0.077 0.000 0.236 265 F C 1.645 177.385 175.800 -0.100 0.000 1.208 265 F CA 0.577 58.499 58.000 -0.129 0.000 1.311 265 F CB -0.341 38.605 39.000 -0.090 0.000 1.820 265 F HN -0.162 nan 8.300 nan 0.000 0.373 266 A N 0.292 123.122 122.820 0.016 0.000 1.940 266 A HA -0.142 4.131 4.320 -0.077 0.000 0.219 266 A C 1.655 179.198 177.584 -0.068 0.000 1.176 266 A CA 1.816 53.831 52.037 -0.036 0.000 0.631 266 A CB -0.595 18.482 19.000 0.128 0.000 0.814 266 A HN 0.555 nan 8.150 nan 0.000 0.446 267 Q N -0.872 118.899 119.800 -0.048 0.000 2.360 267 Q HA 0.171 4.465 4.340 -0.077 0.000 0.202 267 Q C 1.519 177.473 176.000 -0.077 0.000 0.915 267 Q CA 0.497 56.275 55.803 -0.042 0.000 0.943 267 Q CB 0.401 29.128 28.738 -0.018 0.000 1.064 267 Q HN 0.502 nan 8.270 nan 0.000 0.511 268 V N -0.117 119.715 119.914 -0.137 0.000 3.307 268 V HA 0.038 4.112 4.120 -0.077 0.000 0.244 268 V C 0.560 176.533 176.094 -0.203 0.000 1.196 268 V CA 0.535 62.746 62.300 -0.150 0.000 1.132 268 V CB 0.401 32.140 31.823 -0.141 0.000 0.875 268 V HN 0.086 nan 8.190 nan 0.000 0.468 269 K N 1.802 122.010 120.400 -0.319 0.000 2.154 269 K HA 0.277 4.551 4.320 -0.077 0.000 0.264 269 K C -1.635 174.894 176.600 -0.118 0.000 1.008 269 K CA -1.964 54.136 56.287 -0.313 0.000 0.937 269 K CB 0.196 32.351 32.500 -0.576 0.000 1.002 269 K HN 0.024 nan 8.250 nan 0.000 0.469 270 P HA -0.068 nan 4.420 nan 0.000 0.233 270 P C -0.338 176.989 177.300 0.044 0.000 1.167 270 P CA 1.042 64.150 63.100 0.014 0.000 0.770 270 P CB 0.305 32.025 31.700 0.034 0.000 0.837 271 D N -1.778 118.670 120.400 0.081 0.000 2.881 271 D HA 0.114 4.708 4.640 -0.077 0.000 0.325 271 D C -0.044 176.337 176.300 0.136 0.000 1.621 271 D CA -0.401 53.660 54.000 0.101 0.000 0.785 271 D CB -1.052 39.805 40.800 0.095 0.000 1.233 271 D HN 0.128 nan 8.370 nan 0.000 0.447 272 I N 1.238 121.888 120.570 0.133 0.000 2.416 272 I HA 0.119 4.243 4.170 -0.077 0.000 0.288 272 I C 0.940 177.154 176.117 0.162 0.000 1.051 272 I CA -0.273 61.138 61.300 0.184 0.000 1.375 272 I CB 0.844 38.936 38.000 0.152 0.000 1.407 272 I HN -0.044 nan 8.210 nan 0.000 0.516 273 N N 4.968 123.771 118.700 0.173 0.000 2.358 273 N HA 0.046 4.740 4.740 -0.077 0.000 0.209 273 N C 0.055 175.657 175.510 0.154 0.000 1.033 273 N CA 0.537 53.684 53.050 0.160 0.000 1.021 273 N CB 0.030 38.608 38.487 0.153 0.000 1.244 273 N HN 0.584 nan 8.380 nan 0.000 0.523 274 Q N 0.568 120.422 119.800 0.091 0.000 2.235 274 Q HA 0.483 4.777 4.340 -0.077 0.000 0.250 274 Q C -0.999 175.061 176.000 0.101 0.000 0.909 274 Q CA -0.424 55.385 55.803 0.011 0.000 0.910 274 Q CB 2.069 30.683 28.738 -0.206 0.000 1.223 274 Q HN 0.148 nan 8.270 nan 0.000 0.432 275 L N 2.573 123.859 121.223 0.105 0.000 2.404 275 L HA 0.527 4.821 4.340 -0.077 0.000 0.272 275 L C -1.635 175.293 176.870 0.096 0.000 0.980 275 L CA -0.583 54.354 54.840 0.160 0.000 0.836 275 L CB 1.960 44.145 42.059 0.211 0.000 1.238 275 L HN 0.442 nan 8.230 nan 0.000 0.408 276 V N 5.538 125.497 119.914 0.075 0.000 2.789 276 V HA 0.697 4.771 4.120 -0.077 0.000 0.311 276 V C -0.178 175.995 176.094 0.131 0.000 1.073 276 V CA -0.570 61.730 62.300 0.000 0.000 0.921 276 V CB 1.875 33.569 31.823 -0.216 0.000 1.009 276 V HN 0.910 nan 8.190 nan 0.000 0.426 277 M N 3.233 122.934 119.600 0.168 0.000 2.591 277 M HA 0.825 5.259 4.480 -0.077 0.000 0.306 277 M C -1.071 175.405 176.300 0.293 0.000 1.190 277 M CA -0.171 55.296 55.300 0.279 0.000 0.889 277 M CB 1.990 34.773 32.600 0.306 0.000 1.728 277 M HN 0.551 nan 8.290 nan 0.000 0.458 278 C N 4.426 123.938 119.300 0.353 0.000 2.301 278 C HA 0.788 5.202 4.460 -0.077 0.000 0.323 278 C C -2.354 172.828 174.990 0.320 0.000 1.265 278 C CA -1.509 57.619 59.018 0.183 0.000 1.503 278 C CB 1.059 28.678 27.740 -0.201 0.000 2.195 278 C HN 0.761 nan 8.230 nan 0.000 0.477 279 P HA 0.193 nan 4.420 nan 0.000 0.274 279 P C 0.529 178.068 177.300 0.398 0.000 1.237 279 P CA 0.270 63.661 63.100 0.486 0.000 0.793 279 P CB 0.823 32.855 31.700 0.552 0.000 0.977 280 T N -0.355 114.375 114.554 0.294 0.000 2.812 280 T HA -0.060 4.244 4.350 -0.077 0.000 0.264 280 T C 0.501 175.079 174.700 -0.202 0.000 1.042 280 T CA 1.241 63.370 62.100 0.048 0.000 1.140 280 T CB -0.278 68.559 68.868 -0.052 0.000 0.870 280 T HN 0.497 nan 8.240 nan 0.000 0.445 281 E N 1.476 121.376 120.200 -0.501 0.000 1.996 281 E HA 0.147 4.451 4.350 -0.077 0.000 0.280 281 E C -0.373 176.278 176.600 0.084 0.000 1.092 281 E CA -0.271 55.964 56.400 -0.275 0.000 0.862 281 E CB 0.395 29.940 29.700 -0.260 0.000 1.066 281 E HN 0.657 nan 8.360 nan 0.000 0.396 282 Y N 1.556 121.819 120.300 -0.063 0.000 2.527 282 Y HA 0.272 4.776 4.550 -0.077 0.000 0.247 282 Y C -0.257 175.019 175.900 -1.040 0.000 1.138 282 Y CA -1.116 56.836 58.100 -0.246 0.000 1.228 282 Y CB -0.184 38.095 38.460 -0.302 0.000 1.252 282 Y HN 0.279 nan 8.280 nan 0.000 0.531 283 N N -0.975 117.115 118.700 -1.017 0.000 2.455 283 N HA 0.213 4.907 4.740 -0.077 0.000 0.278 283 N C 0.256 175.370 175.510 -0.659 0.000 1.291 283 N CA -1.079 51.188 53.050 -1.305 0.000 0.780 283 N CB 1.811 39.767 38.487 -0.885 0.000 1.520 283 N HN -0.008 nan 8.380 nan 0.000 0.486 284 K N -0.018 120.162 120.400 -0.367 0.000 2.097 284 K HA -0.130 4.144 4.320 -0.077 0.000 0.206 284 K C 1.444 177.917 176.600 -0.210 0.000 1.049 284 K CA 1.584 57.751 56.287 -0.199 0.000 0.933 284 K CB -0.245 31.937 32.500 -0.531 0.000 0.717 284 K HN 0.559 nan 8.250 nan 0.000 0.442 285 S N -0.649 114.911 115.700 -0.233 0.000 2.447 285 S HA -0.092 4.332 4.470 -0.077 0.000 0.233 285 S C 0.769 175.452 174.600 0.138 0.000 1.006 285 S CA 0.510 58.645 58.200 -0.108 0.000 0.957 285 S CB -0.118 62.969 63.200 -0.189 0.000 0.773 285 S HN 0.506 nan 8.310 nan 0.000 0.507 286 W N 2.030 123.200 121.300 -0.217 0.000 3.132 286 W HA 0.527 5.140 4.660 -0.077 0.000 0.364 286 W C 0.717 177.138 176.519 -0.164 0.000 1.129 286 W CA -1.216 55.993 57.345 -0.226 0.000 1.815 286 W CB -0.824 28.410 29.460 -0.376 0.000 1.099 286 W HN 0.222 nan 8.180 nan 0.000 0.605 287 S N 1.697 117.488 115.700 0.151 0.000 2.525 287 S HA 0.247 4.671 4.470 -0.077 0.000 0.278 287 S C -0.100 174.596 174.600 0.159 0.000 1.234 287 S CA -0.450 57.862 58.200 0.186 0.000 1.058 287 S CB 0.652 64.088 63.200 0.393 0.000 0.983 287 S HN 0.056 nan 8.310 nan 0.000 0.495 288 N N 4.639 123.417 118.700 0.129 0.000 2.420 288 N HA 0.297 4.991 4.740 -0.077 0.000 0.262 288 N C -1.264 174.339 175.510 0.154 0.000 1.144 288 N CA -2.078 51.038 53.050 0.109 0.000 0.952 288 N CB 1.270 39.799 38.487 0.070 0.000 1.081 288 N HN 0.473 nan 8.380 nan 0.000 0.480 289 P HA -0.027 nan 4.420 nan 0.000 0.223 289 P C 0.072 177.440 177.300 0.114 0.000 1.151 289 P CA 0.934 64.140 63.100 0.176 0.000 0.787 289 P CB 0.595 32.391 31.700 0.160 0.000 0.788 290 N N -0.505 118.245 118.700 0.083 0.000 2.254 290 N HA 0.107 4.801 4.740 -0.077 0.000 0.190 290 N C 1.093 176.630 175.510 0.045 0.000 1.107 290 N CA 0.400 53.483 53.050 0.055 0.000 0.869 290 N CB 0.941 39.453 38.487 0.043 0.000 0.983 290 N HN 0.172 nan 8.380 nan 0.000 0.487 291 G N 0.713 109.548 108.800 0.059 0.000 2.816 291 G HA2 0.289 4.203 3.960 -0.077 0.000 0.288 291 G HA3 0.289 4.203 3.960 -0.077 0.000 0.288 291 G C -0.212 174.729 174.900 0.069 0.000 1.334 291 G CA -0.470 44.661 45.100 0.052 0.000 0.978 291 G HN 0.165 nan 8.290 nan 0.000 0.493 292 N N -1.188 117.549 118.700 0.061 0.000 2.416 292 N HA 0.027 4.721 4.740 -0.077 0.000 0.267 292 N C 0.590 176.125 175.510 0.042 0.000 1.294 292 N CA -0.716 52.356 53.050 0.037 0.000 0.891 292 N CB -0.139 38.342 38.487 -0.010 0.000 1.238 292 N HN 0.549 nan 8.380 nan 0.000 0.508 293 Y N 1.277 121.581 120.300 0.006 0.000 2.081 293 Y HA -0.140 4.364 4.550 -0.076 0.000 0.280 293 Y C 1.532 177.439 175.900 0.011 0.000 1.163 293 Y CA 1.929 60.035 58.100 0.010 0.000 1.135 293 Y CB 0.033 38.517 38.460 0.040 0.000 0.970 293 Y HN 0.144 nan 8.280 nan 0.000 0.498 294 L N -0.744 120.615 121.223 0.226 0.000 2.179 294 L HA -0.129 4.165 4.340 -0.077 0.000 0.208 294 L C 2.521 179.365 176.870 -0.043 0.000 1.096 294 L CA 1.474 56.396 54.840 0.137 0.000 0.779 294 L CB -0.789 41.374 42.059 0.173 0.000 0.922 294 L HN 0.391 nan 8.230 nan 0.000 0.443 295 T N -4.456 110.060 114.554 -0.063 0.000 2.857 295 T HA -0.141 4.163 4.350 -0.077 0.000 0.266 295 T C 1.828 176.465 174.700 -0.106 0.000 1.048 295 T CA 1.468 63.511 62.100 -0.094 0.000 1.139 295 T CB -0.680 68.134 68.868 -0.090 0.000 0.874 295 T HN 0.148 nan 8.240 nan 0.000 0.455 296 T N 2.868 117.345 114.554 -0.130 0.000 2.635 296 T HA -0.044 4.260 4.350 -0.077 0.000 0.267 296 T C 1.906 176.500 174.700 -0.176 0.000 1.040 296 T CA 1.572 63.574 62.100 -0.163 0.000 1.156 296 T CB -0.682 68.055 68.868 -0.220 0.000 0.863 296 T HN 0.283 nan 8.240 nan 0.000 0.430 297 L N 0.527 121.616 121.223 -0.224 0.000 2.012 297 L HA -0.089 4.205 4.340 -0.077 0.000 0.210 297 L C 3.073 179.894 176.870 -0.082 0.000 1.073 297 L CA 1.631 56.375 54.840 -0.161 0.000 0.748 297 L CB -1.191 40.784 42.059 -0.140 0.000 0.891 297 L HN 0.408 nan 8.230 nan 0.000 0.431 298 G N -0.501 108.252 108.800 -0.078 0.000 2.422 298 G HA2 -0.249 3.665 3.960 -0.077 0.000 0.218 298 G HA3 -0.249 3.665 3.960 -0.077 0.000 0.218 298 G C 1.132 176.001 174.900 -0.052 0.000 1.146 298 G CA 0.964 46.028 45.100 -0.060 0.000 0.769 298 G HN 0.322 nan 8.290 nan 0.000 0.547 299 D N 0.385 120.746 120.400 -0.065 0.000 2.120 299 D HA 0.020 4.614 4.640 -0.077 0.000 0.202 299 D C 2.476 178.747 176.300 -0.048 0.000 0.972 299 D CA 0.842 54.809 54.000 -0.055 0.000 0.837 299 D CB -0.112 40.650 40.800 -0.063 0.000 0.989 299 D HN 0.086 nan 8.370 nan 0.000 0.469 300 K N 0.205 120.568 120.400 -0.062 0.000 2.062 300 K HA 0.119 4.393 4.320 -0.077 0.000 0.205 300 K C 0.624 177.205 176.600 -0.031 0.000 1.051 300 K CA 0.169 56.422 56.287 -0.057 0.000 0.941 300 K CB -0.226 32.220 32.500 -0.091 0.000 0.719 300 K HN 0.079 nan 8.250 nan 0.000 0.440 301 L N 2.807 124.018 121.223 -0.021 0.000 2.462 301 L HA 0.014 4.308 4.340 -0.077 0.000 0.272 301 L C -0.195 176.692 176.870 0.029 0.000 1.166 301 L CA -0.486 54.363 54.840 0.015 0.000 0.880 301 L CB 0.197 42.278 42.059 0.036 0.000 1.142 301 L HN 0.243 nan 8.230 nan 0.000 0.473 302 N N 5.162 123.888 118.700 0.043 0.000 2.293 302 N HA -0.053 4.641 4.740 -0.077 0.000 0.253 302 N C -1.648 173.897 175.510 0.058 0.000 1.248 302 N CA -0.913 52.165 53.050 0.048 0.000 0.845 302 N CB 0.235 38.757 38.487 0.058 0.000 1.073 302 N HN 0.346 nan 8.380 nan 0.000 0.464 303 P HA -0.059 nan 4.420 nan 0.000 0.230 303 P C 0.917 178.266 177.300 0.083 0.000 1.158 303 P CA 0.853 63.988 63.100 0.058 0.000 0.769 303 P CB 0.149 31.875 31.700 0.043 0.000 0.807 304 S N -1.396 114.359 115.700 0.090 0.000 2.522 304 S HA 0.038 4.462 4.470 -0.077 0.000 0.227 304 S C 0.817 175.500 174.600 0.138 0.000 0.986 304 S CA 0.004 58.273 58.200 0.116 0.000 0.929 304 S CB -1.005 62.260 63.200 0.108 0.000 0.769 304 S HN 0.034 nan 8.310 nan 0.000 0.529 305 I N 2.776 123.421 120.570 0.126 0.000 2.441 305 I HA 0.208 4.332 4.170 -0.077 0.000 0.287 305 I C 0.144 176.348 176.117 0.145 0.000 1.049 305 I CA -0.604 60.777 61.300 0.135 0.000 1.381 305 I CB 0.795 38.874 38.000 0.131 0.000 1.409 305 I HN 0.160 nan 8.210 nan 0.000 0.523 306 Q N 6.270 126.156 119.800 0.142 0.000 2.299 306 Q HA 0.526 4.820 4.340 -0.077 0.000 0.246 306 Q C -0.594 175.490 176.000 0.140 0.000 0.935 306 Q CA -0.267 55.635 55.803 0.164 0.000 0.887 306 Q CB 2.114 30.927 28.738 0.126 0.000 1.223 306 Q HN 0.506 nan 8.270 nan 0.000 0.439 307 I N 2.210 122.895 120.570 0.192 0.000 2.436 307 I HA 0.321 4.445 4.170 -0.077 0.000 0.289 307 I C 0.078 176.366 176.117 0.285 0.000 1.010 307 I CA -0.437 60.990 61.300 0.212 0.000 1.098 307 I CB 1.333 39.447 38.000 0.191 0.000 1.266 307 I HN 0.336 nan 8.210 nan 0.000 0.434 308 M N 5.237 125.004 119.600 0.278 0.000 2.255 308 M HA 0.349 4.783 4.480 -0.077 0.000 0.336 308 M C -0.831 175.744 176.300 0.459 0.000 1.135 308 M CA 0.077 55.584 55.300 0.345 0.000 1.145 308 M CB 1.600 34.346 32.600 0.243 0.000 1.473 308 M HN 0.591 nan 8.290 nan 0.000 0.462 309 W N 1.132 122.529 121.300 0.161 0.000 3.573 309 W HA 0.196 4.811 4.660 -0.076 0.000 0.306 309 W C -0.367 176.204 176.519 0.085 0.000 1.227 309 W CA -0.598 56.823 57.345 0.126 0.000 1.212 309 W CB 1.887 31.448 29.460 0.168 0.000 1.331 309 W HN 0.807 nan 8.180 nan 0.000 0.524 310 T N 0.898 115.151 114.554 -0.501 0.000 3.069 310 T HA 0.473 4.777 4.350 -0.077 0.000 0.252 310 T C 0.814 175.282 174.700 -0.386 0.000 1.053 310 T CA 0.959 62.830 62.100 -0.380 0.000 0.964 310 T CB 0.717 69.313 68.868 -0.453 0.000 1.005 310 T HN 1.262 nan 8.240 nan 0.000 0.532 311 G N 1.456 109.844 108.800 -0.687 0.000 2.418 311 G HA2 -0.169 3.745 3.960 -0.077 0.000 0.206 311 G HA3 -0.169 3.745 3.960 -0.077 0.000 0.206 311 G C -0.289 174.442 174.900 -0.283 0.000 1.202 311 G CA 0.042 45.038 45.100 -0.174 0.000 1.061 311 G HN 0.195 nan 8.290 nan 0.000 0.563 312 D N 1.324 121.643 120.400 -0.136 0.000 2.317 312 D HA 0.127 4.721 4.640 -0.077 0.000 0.211 312 D C 1.458 177.577 176.300 -0.301 0.000 0.966 312 D CA 1.153 55.042 54.000 -0.185 0.000 0.876 312 D CB 0.193 40.923 40.800 -0.116 0.000 0.927 312 D HN 0.476 nan 8.370 nan 0.000 0.519 313 R N -1.053 119.235 120.500 -0.354 0.000 2.817 313 R HA 0.337 4.631 4.340 -0.077 0.000 0.268 313 R C 1.042 176.994 176.300 -0.580 0.000 1.027 313 R CA -0.765 55.057 56.100 -0.463 0.000 0.928 313 R CB 1.347 31.456 30.300 -0.319 0.000 1.228 313 R HN -0.298 nan 8.270 nan 0.000 0.469 314 V N 1.111 120.563 119.914 -0.769 0.000 2.252 314 V HA -0.156 3.918 4.120 -0.077 0.000 0.249 314 V C 1.094 176.765 176.094 -0.705 0.000 1.056 314 V CA 1.646 63.467 62.300 -0.798 0.000 1.022 314 V CB -0.253 30.935 31.823 -1.058 0.000 0.641 314 V HN 0.472 nan 8.190 nan 0.000 0.445 315 I N 1.223 121.349 120.570 -0.740 0.000 2.328 315 I HA 0.541 4.665 4.170 -0.077 0.000 0.287 315 I C -0.083 175.762 176.117 -0.453 0.000 1.012 315 I CA 0.305 61.188 61.300 -0.694 0.000 1.195 315 I CB 0.384 37.863 38.000 -0.869 0.000 1.350 315 I HN 0.405 nan 8.210 nan 0.000 0.464 316 S N 4.202 119.724 115.700 -0.296 0.000 2.615 316 S HA 0.613 5.037 4.470 -0.077 0.000 0.269 316 S C -1.320 173.417 174.600 0.228 0.000 1.161 316 S CA -1.027 57.178 58.200 0.009 0.000 0.817 316 S CB 2.622 65.805 63.200 -0.028 0.000 1.131 316 S HN 0.412 nan 8.310 nan 0.000 0.467 317 D N 0.736 121.305 120.400 0.281 0.000 2.268 317 D HA 0.512 5.106 4.640 -0.077 0.000 0.249 317 D C -0.176 176.194 176.300 0.117 0.000 1.008 317 D CA -0.490 53.658 54.000 0.247 0.000 0.939 317 D CB 0.765 41.659 40.800 0.157 0.000 1.170 317 D HN 0.488 nan 8.370 nan 0.000 0.468 318 I N 1.329 121.934 120.570 0.058 0.000 2.371 318 I HA 0.169 4.293 4.170 -0.077 0.000 0.290 318 I C 1.087 177.257 176.117 0.089 0.000 1.028 318 I CA -0.417 60.954 61.300 0.118 0.000 1.345 318 I CB 0.042 38.162 38.000 0.200 0.000 1.407 318 I HN 0.294 nan 8.210 nan 0.000 0.501 319 T N 2.626 117.246 114.554 0.110 0.000 2.950 319 T HA 0.443 4.747 4.350 -0.077 0.000 0.288 319 T C 1.070 175.834 174.700 0.107 0.000 1.035 319 T CA -0.766 61.388 62.100 0.091 0.000 1.028 319 T CB 2.254 71.170 68.868 0.080 0.000 1.109 319 T HN 0.636 nan 8.240 nan 0.000 0.514 320 R N 0.187 120.739 120.500 0.087 0.000 2.091 320 R HA -0.129 4.165 4.340 -0.077 0.000 0.238 320 R C 1.331 177.692 176.300 0.101 0.000 1.136 320 R CA 2.097 58.247 56.100 0.084 0.000 0.959 320 R CB -0.479 29.859 30.300 0.064 0.000 0.856 320 R HN 0.713 nan 8.270 nan 0.000 0.437 321 D N -0.893 119.569 120.400 0.103 0.000 2.144 321 D HA -0.074 4.520 4.640 -0.077 0.000 0.200 321 D C 1.688 178.095 176.300 0.177 0.000 0.978 321 D CA 1.471 55.546 54.000 0.125 0.000 0.833 321 D CB -0.439 40.422 40.800 0.101 0.000 0.961 321 D HN 0.499 nan 8.370 nan 0.000 0.470 322 G N 0.710 109.612 108.800 0.169 0.000 2.402 322 G HA2 -0.204 3.710 3.960 -0.077 0.000 0.216 322 G HA3 -0.204 3.710 3.960 -0.077 0.000 0.216 322 G C 1.742 176.824 174.900 0.302 0.000 1.162 322 G CA 0.189 45.427 45.100 0.230 0.000 0.777 322 G HN 0.263 nan 8.290 nan 0.000 0.539 323 I N 0.929 121.637 120.570 0.231 0.000 2.252 323 I HA -0.126 3.998 4.170 -0.077 0.000 0.245 323 I C 2.924 179.113 176.117 0.121 0.000 1.102 323 I CA 1.257 62.667 61.300 0.182 0.000 1.385 323 I CB 0.049 38.145 38.000 0.160 0.000 1.064 323 I HN 0.113 nan 8.210 nan 0.000 0.414 324 S N -0.094 115.682 115.700 0.126 0.000 2.359 324 S HA -0.296 4.128 4.470 -0.077 0.000 0.224 324 S C 1.534 176.190 174.600 0.094 0.000 1.035 324 S CA 1.863 60.116 58.200 0.088 0.000 1.018 324 S CB -0.813 62.442 63.200 0.091 0.000 0.876 324 S HN 0.689 nan 8.310 nan 0.000 0.448 325 W N 1.720 123.016 121.300 -0.006 0.000 2.317 325 W HA -0.195 4.419 4.660 -0.076 0.000 0.318 325 W C 2.074 178.526 176.519 -0.113 0.000 1.227 325 W CA 1.439 58.774 57.345 -0.018 0.000 1.269 325 W CB -0.493 28.994 29.460 0.045 0.000 1.155 325 W HN 0.250 nan 8.180 nan 0.000 0.484 326 I N 1.474 122.128 120.570 0.141 0.000 2.286 326 I HA -0.278 3.846 4.170 -0.077 0.000 0.245 326 I C 1.874 177.798 176.117 -0.322 0.000 1.104 326 I CA 1.892 62.999 61.300 -0.322 0.000 1.397 326 I CB -0.910 36.475 38.000 -1.025 0.000 1.072 326 I HN -0.044 nan 8.210 nan 0.000 0.417 327 N N 0.916 119.510 118.700 -0.176 0.000 2.205 327 N HA -0.203 4.491 4.740 -0.077 0.000 0.186 327 N C 1.755 177.183 175.510 -0.136 0.000 1.015 327 N CA 1.327 54.306 53.050 -0.119 0.000 0.862 327 N CB -0.310 38.150 38.487 -0.045 0.000 0.986 327 N HN 0.527 nan 8.380 nan 0.000 0.429 328 E N 0.347 120.443 120.200 -0.173 0.000 2.058 328 E HA -0.148 4.156 4.350 -0.077 0.000 0.194 328 E C 1.934 178.398 176.600 -0.226 0.000 0.997 328 E CA 1.095 57.379 56.400 -0.194 0.000 0.801 328 E CB 0.002 29.549 29.700 -0.254 0.000 0.746 328 E HN 0.312 nan 8.360 nan 0.000 0.450 329 R N 0.129 120.440 120.500 -0.316 0.000 2.127 329 R HA 0.023 4.317 4.340 -0.077 0.000 0.217 329 R C 2.384 178.568 176.300 -0.192 0.000 1.074 329 R CA 0.907 56.827 56.100 -0.299 0.000 0.991 329 R CB -0.009 30.029 30.300 -0.436 0.000 0.895 329 R HN 0.309 nan 8.270 nan 0.000 0.450 330 I N -2.468 117.997 120.570 -0.174 0.000 3.860 330 I HA 0.181 4.305 4.170 -0.077 0.000 0.319 330 I C -0.400 175.680 176.117 -0.063 0.000 1.279 330 I CA -0.126 61.112 61.300 -0.102 0.000 1.220 330 I CB 0.444 38.393 38.000 -0.085 0.000 1.027 330 I HN -0.106 nan 8.210 nan 0.000 0.428 331 K N 2.468 122.824 120.400 -0.074 0.000 3.192 331 K HA -0.176 4.098 4.320 -0.077 0.000 0.278 331 K C -0.360 176.230 176.600 -0.017 0.000 1.164 331 K CA 1.040 57.298 56.287 -0.048 0.000 0.816 331 K CB -1.928 30.546 32.500 -0.043 0.000 1.256 331 K HN 0.905 nan 8.250 nan 0.000 0.497 332 R N -2.461 118.033 120.500 -0.010 0.000 2.753 332 R HA 0.410 4.704 4.340 -0.077 0.000 0.272 332 R C -3.450 172.869 176.300 0.033 0.000 1.034 332 R CA -1.695 54.421 56.100 0.026 0.000 0.869 332 R CB 1.073 31.407 30.300 0.056 0.000 1.264 332 R HN -0.283 nan 8.270 nan 0.000 0.481 333 P HA 0.174 nan 4.420 nan 0.000 0.276 333 P C -0.511 176.862 177.300 0.121 0.000 1.235 333 P CA -0.124 63.018 63.100 0.071 0.000 0.772 333 P CB 1.150 32.891 31.700 0.069 0.000 0.871 334 A N 3.741 126.630 122.820 0.116 0.000 2.425 334 A HA 0.133 4.407 4.320 -0.077 0.000 0.242 334 A C -0.745 177.013 177.584 0.289 0.000 1.077 334 A CA 0.016 52.165 52.037 0.187 0.000 0.781 334 A CB -0.347 18.742 19.000 0.150 0.000 1.020 334 A HN 0.615 nan 8.150 nan 0.000 0.494 335 Y N 3.080 123.514 120.300 0.223 0.000 2.417 335 Y HA 0.394 4.898 4.550 -0.077 0.000 0.336 335 Y C -0.284 175.755 175.900 0.231 0.000 0.961 335 Y CA -1.028 57.208 58.100 0.226 0.000 1.215 335 Y CB 0.515 39.104 38.460 0.214 0.000 1.120 335 Y HN 0.464 nan 8.280 nan 0.000 0.499 336 I N 6.272 127.008 120.570 0.276 0.000 2.471 336 I HA -0.097 4.027 4.170 -0.077 0.000 0.286 336 I C -0.267 175.903 176.117 0.088 0.000 1.079 336 I CA -0.367 61.041 61.300 0.180 0.000 1.398 336 I CB 0.372 38.398 38.000 0.043 0.000 1.403 336 I HN 0.707 nan 8.210 nan 0.000 0.530 337 W N 9.042 130.300 121.300 -0.069 0.000 2.288 337 W HA 0.177 4.791 4.660 -0.077 0.000 0.325 337 W C -1.214 175.202 176.519 -0.173 0.000 1.019 337 W CA -1.404 55.847 57.345 -0.156 0.000 1.403 337 W CB 1.023 30.362 29.460 -0.201 0.000 1.226 337 W HN 0.566 nan 8.180 nan 0.000 0.391 338 W N 8.103 129.272 121.300 -0.218 0.000 2.332 338 W HA 0.257 4.872 4.660 -0.075 0.000 0.306 338 W C 0.296 176.804 176.519 -0.018 0.000 1.149 338 W CA -0.734 56.505 57.345 -0.177 0.000 1.271 338 W CB 0.506 29.774 29.460 -0.320 0.000 1.243 338 W HN 0.245 nan 8.180 nan 0.000 0.459 339 N N 6.973 125.514 118.700 -0.264 0.000 3.254 339 N HA 0.062 4.756 4.740 -0.077 0.000 0.308 339 N C -1.528 173.615 175.510 -0.613 0.000 1.281 339 N CA 0.314 53.157 53.050 -0.344 0.000 1.212 339 N CB -0.608 37.689 38.487 -0.317 0.000 1.478 339 N HN 0.347 nan 8.380 nan 0.000 0.548 340 F N 1.113 120.472 119.950 -0.985 0.000 2.635 340 F HA 0.371 4.853 4.527 -0.075 0.000 0.314 340 F C -2.460 173.000 175.800 -0.567 0.000 1.119 340 F CA -1.678 55.771 58.000 -0.919 0.000 1.000 340 F CB 2.699 40.816 39.000 -1.473 0.000 1.278 340 F HN -0.037 nan 8.300 nan 0.000 0.446 341 P HA 0.120 nan 4.420 nan 0.000 0.270 341 P C -0.330 176.600 177.300 -0.617 0.000 1.754 341 P CA 0.056 62.369 63.100 -1.311 0.000 1.202 341 P CB 0.751 31.522 31.700 -1.550 0.000 1.592 342 V N 1.833 121.526 119.914 -0.368 0.000 3.527 342 V HA -0.227 3.847 4.120 -0.077 0.000 0.280 342 V C 1.074 177.024 176.094 -0.241 0.000 1.401 342 V CA 2.037 64.204 62.300 -0.222 0.000 1.419 342 V CB -0.875 30.912 31.823 -0.060 0.000 0.830 342 V HN 0.647 nan 8.190 nan 0.000 0.367 343 S N 1.830 117.373 115.700 -0.261 0.000 3.031 343 S HA 0.191 4.615 4.470 -0.077 0.000 0.253 343 S C 0.726 175.168 174.600 -0.263 0.000 0.996 343 S CA 0.122 58.114 58.200 -0.346 0.000 1.098 343 S CB 0.484 63.529 63.200 -0.259 0.000 1.042 343 S HN 0.969 nan 8.310 nan 0.000 0.593 344 D N 1.553 121.896 120.400 -0.094 0.000 2.371 344 D HA -0.114 4.480 4.640 -0.077 0.000 0.221 344 D C 1.046 177.404 176.300 0.097 0.000 0.986 344 D CA 0.493 54.520 54.000 0.045 0.000 0.899 344 D CB -0.657 40.255 40.800 0.187 0.000 0.902 344 D HN 0.770 nan 8.370 nan 0.000 0.530 345 Y N -1.090 119.231 120.300 0.035 0.000 2.500 345 Y HA 0.377 4.883 4.550 -0.074 0.000 0.246 345 Y C 0.433 176.369 175.900 0.059 0.000 1.146 345 Y CA -0.608 57.511 58.100 0.031 0.000 1.230 345 Y CB 0.268 38.763 38.460 0.057 0.000 1.214 345 Y HN -0.043 nan 8.280 nan 0.000 0.526 346 V N -1.461 118.197 119.914 -0.427 0.000 2.647 346 V HA 0.476 4.550 4.120 -0.077 0.000 0.305 346 V C 0.774 176.883 176.094 0.024 0.000 1.162 346 V CA -0.705 61.487 62.300 -0.179 0.000 1.248 346 V CB 0.229 31.845 31.823 -0.345 0.000 1.508 346 V HN 0.262 nan 8.190 nan 0.000 0.647 347 R N 1.382 121.933 120.500 0.086 0.000 2.293 347 R HA -0.067 4.227 4.340 -0.077 0.000 0.219 347 R C 1.213 177.699 176.300 0.311 0.000 1.091 347 R CA 1.541 57.736 56.100 0.160 0.000 1.004 347 R CB 0.040 30.442 30.300 0.170 0.000 0.865 347 R HN 0.869 nan 8.270 nan 0.000 0.469 348 D N -1.105 119.486 120.400 0.317 0.000 2.340 348 D HA -0.037 4.557 4.640 -0.077 0.000 0.220 348 D C 0.229 176.775 176.300 0.410 0.000 1.039 348 D CA 0.340 54.550 54.000 0.349 0.000 0.866 348 D CB -0.083 40.795 40.800 0.130 0.000 0.913 348 D HN 0.208 nan 8.370 nan 0.000 0.523 349 H N 0.059 119.288 119.070 0.265 0.000 2.529 349 H HA 0.437 4.949 4.556 -0.073 0.000 0.348 349 H C -0.145 175.027 175.328 -0.260 0.000 1.152 349 H CA -0.840 55.258 56.048 0.083 0.000 1.202 349 H CB 2.305 32.071 29.762 0.007 0.000 1.562 349 H HN -0.095 nan 8.280 nan 0.000 0.515 350 L N 3.285 124.252 121.223 -0.427 0.000 2.322 350 L HA 0.319 4.613 4.340 -0.077 0.000 0.279 350 L C -0.155 176.564 176.870 -0.252 0.000 1.036 350 L CA -0.674 53.849 54.840 -0.530 0.000 0.807 350 L CB 1.225 42.802 42.059 -0.804 0.000 1.226 350 L HN 0.329 nan 8.230 nan 0.000 0.433 351 L N 5.611 126.695 121.223 -0.232 0.000 2.356 351 L HA 0.351 4.645 4.340 -0.077 0.000 0.264 351 L C 0.181 176.984 176.870 -0.111 0.000 1.029 351 L CA -0.083 54.667 54.840 -0.151 0.000 0.897 351 L CB 0.630 42.527 42.059 -0.270 0.000 1.256 351 L HN 0.644 nan 8.230 nan 0.000 0.444 352 L N 1.370 122.600 121.223 0.012 0.000 2.959 352 L HA 0.368 4.661 4.340 -0.077 0.000 0.259 352 L C 1.272 178.372 176.870 0.383 0.000 1.185 352 L CA -0.235 54.669 54.840 0.108 0.000 0.998 352 L CB 0.472 42.530 42.059 -0.002 0.000 1.337 352 L HN 0.579 nan 8.230 nan 0.000 0.555 353 G N 0.704 109.714 108.800 0.349 0.000 2.563 353 G HA2 0.401 4.315 3.960 -0.077 0.000 0.283 353 G HA3 0.401 4.315 3.960 -0.077 0.000 0.283 353 G C -2.549 172.462 174.900 0.185 0.000 1.309 353 G CA -0.943 44.285 45.100 0.212 0.000 1.022 353 G HN -0.121 nan 8.290 nan 0.000 0.501 354 P HA 0.194 nan 4.420 nan 0.000 0.269 354 P C -0.304 177.055 177.300 0.098 0.000 1.215 354 P CA -0.409 62.501 63.100 -0.317 0.000 0.780 354 P CB 0.865 31.897 31.700 -1.112 0.000 0.898 355 V N 4.176 124.248 119.914 0.263 0.000 2.432 355 V HA 0.319 4.393 4.120 -0.077 0.000 0.271 355 V C -0.083 176.135 176.094 0.207 0.000 1.046 355 V CA 0.465 62.931 62.300 0.276 0.000 0.945 355 V CB -0.987 31.094 31.823 0.430 0.000 0.992 355 V HN 0.609 nan 8.190 nan 0.000 0.471 356 Y N 2.064 122.312 120.300 -0.085 0.000 2.689 356 Y HA 0.815 5.318 4.550 -0.078 0.000 0.333 356 Y C 0.625 176.446 175.900 -0.132 0.000 1.208 356 Y CA -0.413 57.614 58.100 -0.122 0.000 1.055 356 Y CB 1.452 39.807 38.460 -0.175 0.000 1.304 356 Y HN 0.738 nan 8.280 nan 0.000 0.455 357 G N 0.824 109.612 108.800 -0.020 0.000 2.238 357 G HA2 -0.231 3.683 3.960 -0.077 0.000 0.217 357 G HA3 -0.231 3.683 3.960 -0.077 0.000 0.217 357 G C -0.719 174.110 174.900 -0.119 0.000 0.996 357 G CA -0.142 44.921 45.100 -0.061 0.000 0.632 357 G HN 0.718 nan 8.290 nan 0.000 0.503 358 N N 1.891 120.406 118.700 -0.309 0.000 2.455 358 N HA 0.349 5.043 4.740 -0.077 0.000 0.280 358 N C -0.747 174.683 175.510 -0.132 0.000 1.055 358 N CA -0.366 52.479 53.050 -0.342 0.000 0.961 358 N CB 1.456 39.442 38.487 -0.835 0.000 1.121 358 N HN 0.343 nan 8.380 nan 0.000 0.476 359 D N 0.863 121.257 120.400 -0.009 0.000 2.493 359 D HA -0.055 4.539 4.640 -0.077 0.000 0.240 359 D C 0.801 177.170 176.300 0.114 0.000 1.142 359 D CA 0.427 54.459 54.000 0.054 0.000 0.872 359 D CB 0.824 41.658 40.800 0.057 0.000 1.173 359 D HN 0.560 nan 8.370 nan 0.000 0.467 360 T N -0.516 114.108 114.554 0.117 0.000 3.144 360 T HA 0.002 4.306 4.350 -0.077 0.000 0.249 360 T C 1.246 175.950 174.700 0.006 0.000 1.089 360 T CA 0.489 62.657 62.100 0.114 0.000 0.989 360 T CB -0.163 68.795 68.868 0.151 0.000 0.992 360 T HN 0.396 nan 8.240 nan 0.000 0.540 361 T N -0.432 114.127 114.554 0.009 0.000 3.040 361 T HA 0.319 4.623 4.350 -0.077 0.000 0.266 361 T C 1.154 175.844 174.700 -0.018 0.000 1.005 361 T CA -0.433 61.661 62.100 -0.010 0.000 0.906 361 T CB -0.660 68.213 68.868 0.008 0.000 1.082 361 T HN 0.647 nan 8.240 nan 0.000 0.531 362 I N -1.538 119.022 120.570 -0.017 0.000 3.889 362 I HA 0.712 4.836 4.170 -0.077 0.000 0.332 362 I C 1.983 178.083 176.117 -0.029 0.000 1.493 362 I CA -0.770 60.529 61.300 -0.002 0.000 1.158 362 I CB -0.217 37.808 38.000 0.041 0.000 1.117 362 I HN 0.075 nan 8.210 nan 0.000 0.411 363 A N 2.066 124.833 122.820 -0.089 0.000 1.986 363 A HA -0.203 4.071 4.320 -0.077 0.000 0.220 363 A C 2.327 179.866 177.584 -0.076 0.000 1.171 363 A CA 1.738 53.697 52.037 -0.130 0.000 0.640 363 A CB -0.374 18.515 19.000 -0.185 0.000 0.811 363 A HN 0.546 nan 8.150 nan 0.000 0.451 364 K N -0.632 119.739 120.400 -0.049 0.000 2.296 364 K HA -0.019 4.255 4.320 -0.077 0.000 0.200 364 K C 0.948 177.544 176.600 -0.006 0.000 1.048 364 K CA 0.842 57.111 56.287 -0.031 0.000 0.966 364 K CB 0.131 32.617 32.500 -0.023 0.000 0.754 364 K HN 0.405 nan 8.250 nan 0.000 0.466 365 E N 0.531 120.736 120.200 0.009 0.000 2.479 365 E HA 0.024 4.328 4.350 -0.077 0.000 0.193 365 E C 0.459 177.094 176.600 0.058 0.000 1.049 365 E CA 0.324 56.744 56.400 0.033 0.000 0.870 365 E CB 0.086 29.813 29.700 0.045 0.000 0.944 365 E HN 0.413 nan 8.360 nan 0.000 0.492 366 M N -1.467 118.165 119.600 0.053 0.000 2.327 366 M HA 0.421 4.855 4.480 -0.077 0.000 0.298 366 M C 0.557 176.885 176.300 0.046 0.000 1.065 366 M CA -0.653 54.698 55.300 0.085 0.000 0.916 366 M CB 2.199 34.882 32.600 0.139 0.000 1.630 366 M HN -0.235 nan 8.290 nan 0.000 0.442 367 S N 1.141 116.888 115.700 0.078 0.000 2.470 367 S HA 0.408 4.832 4.470 -0.077 0.000 0.225 367 S C 0.746 175.319 174.600 -0.045 0.000 1.006 367 S CA 0.393 58.634 58.200 0.068 0.000 0.934 367 S CB -0.106 63.223 63.200 0.215 0.000 0.778 367 S HN 1.025 nan 8.310 nan 0.000 0.517 368 G N -0.087 108.576 108.800 -0.228 0.000 2.692 368 G HA2 0.597 4.511 3.960 -0.077 0.000 0.291 368 G HA3 0.597 4.511 3.960 -0.077 0.000 0.291 368 G C -2.124 172.662 174.900 -0.190 0.000 1.423 368 G CA -0.849 43.945 45.100 -0.509 0.000 0.843 368 G HN 0.173 nan 8.290 nan 0.000 0.486 369 F N 1.723 121.548 119.950 -0.208 0.000 2.745 369 F HA 0.533 5.014 4.527 -0.077 0.000 0.343 369 F C -0.234 175.584 175.800 0.030 0.000 1.196 369 F CA -0.771 57.218 58.000 -0.019 0.000 1.021 369 F CB 1.871 40.891 39.000 0.032 0.000 1.297 369 F HN 0.521 nan 8.300 nan 0.000 0.486 370 V N 2.073 121.894 119.914 -0.155 0.000 2.628 370 V HA 0.722 4.796 4.120 -0.077 0.000 0.306 370 V C -0.379 175.612 176.094 -0.172 0.000 1.045 370 V CA -0.584 61.664 62.300 -0.088 0.000 0.905 370 V CB 1.369 33.144 31.823 -0.080 0.000 0.997 370 V HN 0.711 nan 8.190 nan 0.000 0.436 371 T N 2.880 117.423 114.554 -0.019 0.000 2.767 371 T HA 0.346 4.650 4.350 -0.077 0.000 0.288 371 T C -0.124 174.471 174.700 -0.176 0.000 0.963 371 T CA -0.316 61.806 62.100 0.037 0.000 1.019 371 T CB 0.415 69.442 68.868 0.265 0.000 0.923 371 T HN 0.941 nan 8.240 nan 0.000 0.468 372 N N 6.612 125.143 118.700 -0.282 0.000 2.401 372 N HA 0.402 5.096 4.740 -0.077 0.000 0.255 372 N C -2.316 173.114 175.510 -0.132 0.000 1.110 372 N CA -1.750 51.132 53.050 -0.280 0.000 0.949 372 N CB 0.984 39.360 38.487 -0.185 0.000 1.110 372 N HN 0.426 nan 8.380 nan 0.000 0.490 373 P HA 0.317 nan 4.420 nan 0.000 0.314 373 P C -0.266 176.902 177.300 -0.220 0.000 1.306 373 P CA -0.600 62.466 63.100 -0.058 0.000 0.782 373 P CB 1.113 32.932 31.700 0.199 0.000 1.337 374 M N 0.126 119.580 119.600 -0.243 0.000 2.226 374 M HA 0.095 4.529 4.480 -0.077 0.000 0.324 374 M C 1.766 177.669 176.300 -0.662 0.000 1.112 374 M CA 0.168 55.219 55.300 -0.416 0.000 1.176 374 M CB 0.077 32.545 32.600 -0.219 0.000 1.430 374 M HN 0.461 nan 8.290 nan 0.000 0.462 375 E N 0.067 119.651 120.200 -1.026 0.000 2.401 375 E HA -0.140 4.164 4.350 -0.077 0.000 0.199 375 E C -0.262 176.196 176.600 -0.237 0.000 1.023 375 E CA 0.981 56.865 56.400 -0.859 0.000 0.859 375 E CB -0.177 29.131 29.700 -0.654 0.000 0.780 375 E HN 0.498 nan 8.360 nan 0.000 0.523 376 H N 0.556 119.590 119.070 -0.060 0.000 2.872 376 H HA 0.336 4.846 4.556 -0.076 0.000 0.273 376 H C 0.686 175.947 175.328 -0.112 0.000 1.205 376 H CA 0.205 56.203 56.048 -0.084 0.000 1.342 376 H CB 1.374 31.035 29.762 -0.169 0.000 1.469 376 H HN 0.236 nan 8.280 nan 0.000 0.487 377 A N 3.715 126.398 122.820 -0.229 0.000 1.845 377 A HA -0.139 4.135 4.320 -0.077 0.000 0.215 377 A C 2.108 179.395 177.584 -0.495 0.000 1.195 377 A CA 0.969 52.557 52.037 -0.748 0.000 0.616 377 A CB 0.052 18.191 19.000 -1.436 0.000 0.832 377 A HN 0.524 nan 8.150 nan 0.000 0.443 378 E N 0.420 120.388 120.200 -0.387 0.000 2.153 378 E HA -0.097 4.207 4.350 -0.077 0.000 0.194 378 E C 2.269 178.715 176.600 -0.257 0.000 0.988 378 E CA 1.260 57.454 56.400 -0.343 0.000 0.811 378 E CB -0.518 29.014 29.700 -0.280 0.000 0.746 378 E HN 0.536 nan 8.360 nan 0.000 0.466 379 S N 0.863 116.455 115.700 -0.180 0.000 2.419 379 S HA -0.068 4.356 4.470 -0.077 0.000 0.233 379 S C 2.043 176.577 174.600 -0.110 0.000 1.016 379 S CA 0.757 58.873 58.200 -0.141 0.000 0.974 379 S CB -0.031 63.086 63.200 -0.139 0.000 0.786 379 S HN 0.130 nan 8.310 nan 0.000 0.492 380 S N 0.837 116.483 115.700 -0.089 0.000 2.527 380 S HA 0.101 4.525 4.470 -0.077 0.000 0.222 380 S C 1.616 176.238 174.600 0.037 0.000 0.985 380 S CA 0.356 58.551 58.200 -0.008 0.000 0.921 380 S CB 0.018 63.287 63.200 0.116 0.000 0.772 380 S HN 0.460 nan 8.310 nan 0.000 0.529 381 K N 1.122 121.470 120.400 -0.088 0.000 2.209 381 K HA 0.018 4.292 4.320 -0.077 0.000 0.204 381 K C 1.633 178.325 176.600 0.152 0.000 1.048 381 K CA 0.898 57.122 56.287 -0.105 0.000 0.940 381 K CB -0.259 31.841 32.500 -0.667 0.000 0.729 381 K HN 0.366 nan 8.250 nan 0.000 0.451 382 I N 1.020 121.633 120.570 0.071 0.000 2.127 382 I HA -0.318 3.806 4.170 -0.077 0.000 0.241 382 I C 2.520 178.824 176.117 0.312 0.000 1.075 382 I CA 1.412 62.783 61.300 0.119 0.000 1.334 382 I CB -0.389 37.639 38.000 0.047 0.000 1.040 382 I HN 0.149 nan 8.210 nan 0.000 0.405 383 A N 0.727 123.738 122.820 0.319 0.000 1.898 383 A HA -0.123 4.151 4.320 -0.077 0.000 0.216 383 A C 2.296 180.150 177.584 0.451 0.000 1.181 383 A CA 1.330 53.628 52.037 0.436 0.000 0.620 383 A CB -0.783 18.434 19.000 0.362 0.000 0.819 383 A HN 0.371 nan 8.150 nan 0.000 0.442 384 I N -1.951 118.869 120.570 0.418 0.000 2.226 384 I HA -0.277 3.847 4.170 -0.077 0.000 0.245 384 I C 2.448 178.857 176.117 0.486 0.000 1.100 384 I CA 1.779 63.352 61.300 0.455 0.000 1.374 384 I CB -0.390 37.925 38.000 0.525 0.000 1.057 384 I HN 0.559 nan 8.210 nan 0.000 0.413 385 Y N 1.195 121.755 120.300 0.434 0.000 2.207 385 Y HA -0.291 4.213 4.550 -0.076 0.000 0.287 385 Y C 2.677 178.708 175.900 0.219 0.000 1.156 385 Y CA 1.946 60.207 58.100 0.269 0.000 1.182 385 Y CB 0.022 38.672 38.460 0.317 0.000 0.979 385 Y HN 0.070 nan 8.280 nan 0.000 0.521 386 S N -0.739 115.282 115.700 0.534 0.000 2.362 386 S HA -0.147 4.277 4.470 -0.077 0.000 0.221 386 S C 2.030 176.783 174.600 0.256 0.000 1.032 386 S CA 1.151 59.642 58.200 0.485 0.000 0.973 386 S CB -0.585 62.942 63.200 0.546 0.000 0.849 386 S HN 0.308 nan 8.310 nan 0.000 0.465 387 V N 2.528 122.601 119.914 0.264 0.000 2.324 387 V HA -0.262 3.812 4.120 -0.077 0.000 0.250 387 V C 2.691 178.866 176.094 0.135 0.000 1.060 387 V CA 1.803 64.224 62.300 0.202 0.000 1.042 387 V CB -1.322 30.746 31.823 0.407 0.000 0.650 387 V HN 0.535 nan 8.190 nan 0.000 0.450 388 A N -0.640 122.249 122.820 0.116 0.000 1.883 388 A HA -0.286 3.988 4.320 -0.077 0.000 0.217 388 A C 2.572 180.141 177.584 -0.025 0.000 1.186 388 A CA 2.499 54.547 52.037 0.017 0.000 0.624 388 A CB -0.956 17.994 19.000 -0.085 0.000 0.822 388 A HN 0.492 nan 8.150 nan 0.000 0.444 389 S N -1.977 113.701 115.700 -0.038 0.000 2.359 389 S HA -0.218 4.206 4.470 -0.077 0.000 0.224 389 S C 1.915 176.544 174.600 0.049 0.000 1.035 389 S CA 1.788 60.002 58.200 0.024 0.000 1.018 389 S CB -0.566 62.723 63.200 0.147 0.000 0.876 389 S HN 0.701 nan 8.310 nan 0.000 0.448 390 Y N 1.852 121.970 120.300 -0.304 0.000 2.145 390 Y HA -0.003 4.501 4.550 -0.076 0.000 0.286 390 Y C 2.325 177.985 175.900 -0.400 0.000 1.145 390 Y CA 1.527 59.242 58.100 -0.642 0.000 1.148 390 Y CB -0.936 36.766 38.460 -1.263 0.000 0.981 390 Y HN 0.276 nan 8.280 nan 0.000 0.507 391 A N 0.414 122.954 122.820 -0.467 0.000 2.014 391 A HA -0.143 4.131 4.320 -0.077 0.000 0.218 391 A C 2.181 179.606 177.584 -0.265 0.000 1.163 391 A CA 1.118 52.870 52.037 -0.476 0.000 0.652 391 A CB -1.395 17.526 19.000 -0.132 0.000 0.808 391 A HN 0.856 nan 8.150 nan 0.000 0.449 392 W N 0.305 121.427 121.300 -0.297 0.000 2.444 392 W HA 0.030 4.644 4.660 -0.076 0.000 0.308 392 W C -0.075 176.279 176.519 -0.275 0.000 1.183 392 W CA 1.465 58.660 57.345 -0.249 0.000 1.340 392 W CB -0.012 29.315 29.460 -0.222 0.000 1.138 392 W HN 0.377 nan 8.180 nan 0.000 0.510 393 N N 0.518 119.225 118.700 0.012 0.000 2.790 393 N HA 0.174 4.868 4.740 -0.077 0.000 0.256 393 N C -2.023 173.418 175.510 -0.115 0.000 1.409 393 N CA -1.824 51.181 53.050 -0.074 0.000 0.799 393 N CB 0.836 39.373 38.487 0.083 0.000 1.170 393 N HN -0.154 nan 8.380 nan 0.000 0.507 394 P HA -0.056 nan 4.420 nan 0.000 0.220 394 P C 1.048 178.320 177.300 -0.046 0.000 1.148 394 P CA 0.698 63.614 63.100 -0.306 0.000 0.803 394 P CB 0.343 31.663 31.700 -0.635 0.000 0.782 395 A N 0.654 123.433 122.820 -0.069 0.000 1.933 395 A HA -0.137 4.137 4.320 -0.077 0.000 0.218 395 A C 2.032 179.628 177.584 0.022 0.000 1.175 395 A CA 1.474 53.499 52.037 -0.020 0.000 0.628 395 A CB -0.783 18.189 19.000 -0.046 0.000 0.814 395 A HN 0.043 nan 8.150 nan 0.000 0.444 396 K N -1.075 119.344 120.400 0.031 0.000 2.387 396 K HA 0.104 4.378 4.320 -0.077 0.000 0.198 396 K C -0.514 176.145 176.600 0.098 0.000 1.022 396 K CA -0.355 55.962 56.287 0.049 0.000 1.128 396 K CB -0.216 32.303 32.500 0.032 0.000 0.853 396 K HN 0.533 nan 8.250 nan 0.000 0.523 397 Y N 2.669 122.981 120.300 0.021 0.000 2.605 397 Y HA -0.040 4.464 4.550 -0.077 0.000 0.336 397 Y C -0.233 175.710 175.900 0.071 0.000 1.111 397 Y CA -0.573 57.567 58.100 0.066 0.000 1.422 397 Y CB 0.228 38.773 38.460 0.142 0.000 1.193 397 Y HN -0.052 nan 8.280 nan 0.000 0.526 398 D N 4.899 124.937 120.400 -0.603 0.000 2.461 398 D HA 0.164 4.758 4.640 -0.077 0.000 0.240 398 D C 0.722 176.614 176.300 -0.679 0.000 1.094 398 D CA -0.151 53.574 54.000 -0.458 0.000 0.868 398 D CB 1.354 42.061 40.800 -0.155 0.000 1.062 398 D HN 0.756 nan 8.370 nan 0.000 0.530 399 T N 2.373 116.522 114.554 -0.675 0.000 2.565 399 T HA -0.230 4.074 4.350 -0.077 0.000 0.265 399 T C 1.470 176.018 174.700 -0.255 0.000 1.082 399 T CA 1.601 63.407 62.100 -0.489 0.000 1.173 399 T CB -0.332 68.278 68.868 -0.430 0.000 0.864 399 T HN 0.569 nan 8.240 nan 0.000 0.425 400 W N 0.774 122.031 121.300 -0.071 0.000 2.443 400 W HA 0.029 4.642 4.660 -0.078 0.000 0.296 400 W C 2.907 179.519 176.519 0.155 0.000 1.202 400 W CA 0.258 57.624 57.345 0.034 0.000 1.312 400 W CB -0.360 29.076 29.460 -0.039 0.000 1.120 400 W HN 0.180 nan 8.180 nan 0.000 0.536 401 Q N 0.107 120.079 119.800 0.286 0.000 2.124 401 Q HA -0.142 4.152 4.340 -0.077 0.000 0.202 401 Q C 1.932 178.062 176.000 0.216 0.000 0.977 401 Q CA 2.454 58.384 55.803 0.212 0.000 0.850 401 Q CB -0.735 28.073 28.738 0.118 0.000 0.901 401 Q HN 0.103 nan 8.270 nan 0.000 0.429 402 T N -0.701 113.973 114.554 0.199 0.000 2.777 402 T HA -0.146 4.158 4.350 -0.077 0.000 0.266 402 T C 1.031 175.941 174.700 0.350 0.000 1.040 402 T CA 1.118 63.405 62.100 0.311 0.000 1.141 402 T CB -0.569 68.516 68.868 0.363 0.000 0.868 402 T HN 0.532 nan 8.240 nan 0.000 0.444 403 W N 2.381 123.756 121.300 0.126 0.000 2.335 403 W HA -0.118 4.496 4.660 -0.078 0.000 0.311 403 W C 2.073 178.632 176.519 0.066 0.000 1.213 403 W CA 1.147 58.547 57.345 0.091 0.000 1.274 403 W CB -0.155 29.330 29.460 0.041 0.000 1.148 403 W HN 0.130 nan 8.180 nan 0.000 0.498 404 K N -0.307 120.254 120.400 0.269 0.000 2.097 404 K HA -0.173 4.101 4.320 -0.077 0.000 0.205 404 K C 1.599 178.141 176.600 -0.095 0.000 1.050 404 K CA 1.675 57.973 56.287 0.018 0.000 0.938 404 K CB -0.421 32.185 32.500 0.178 0.000 0.718 404 K HN 0.050 nan 8.250 nan 0.000 0.442 405 D N 0.803 121.190 120.400 -0.022 0.000 2.117 405 D HA -0.123 4.471 4.640 -0.077 0.000 0.197 405 D C 1.891 177.926 176.300 -0.442 0.000 0.987 405 D CA 1.336 55.291 54.000 -0.076 0.000 0.829 405 D CB -0.253 40.647 40.800 0.166 0.000 0.961 405 D HN 0.191 nan 8.370 nan 0.000 0.460 406 A N 0.884 123.280 122.820 -0.707 0.000 1.865 406 A HA -0.178 4.096 4.320 -0.077 0.000 0.217 406 A C 2.406 179.669 177.584 -0.535 0.000 1.191 406 A CA 1.153 52.562 52.037 -1.047 0.000 0.623 406 A CB -0.845 17.840 19.000 -0.525 0.000 0.826 406 A HN 0.213 nan 8.150 nan 0.000 0.444 407 I N -1.432 118.867 120.570 -0.452 0.000 2.226 407 I HA -0.243 3.881 4.170 -0.077 0.000 0.245 407 I C 2.763 178.722 176.117 -0.265 0.000 1.100 407 I CA 1.577 62.646 61.300 -0.385 0.000 1.374 407 I CB -0.283 37.393 38.000 -0.540 0.000 1.057 407 I HN 0.282 nan 8.210 nan 0.000 0.413 408 R N -0.114 120.246 120.500 -0.233 0.000 2.189 408 R HA -0.090 4.204 4.340 -0.077 0.000 0.218 408 R C 2.159 178.387 176.300 -0.121 0.000 1.074 408 R CA 1.430 57.441 56.100 -0.148 0.000 0.991 408 R CB -0.040 30.195 30.300 -0.108 0.000 0.883 408 R HN 0.293 nan 8.270 nan 0.000 0.457 409 T N 0.158 114.618 114.554 -0.157 0.000 2.937 409 T HA 0.065 4.369 4.350 -0.077 0.000 0.260 409 T C 1.660 176.340 174.700 -0.032 0.000 1.051 409 T CA 0.690 62.748 62.100 -0.069 0.000 1.141 409 T CB 0.098 68.940 68.868 -0.044 0.000 0.879 409 T HN 0.101 nan 8.240 nan 0.000 0.459 410 I N 0.098 120.618 120.570 -0.085 0.000 2.286 410 I HA 0.035 4.159 4.170 -0.077 0.000 0.245 410 I C 0.628 176.682 176.117 -0.106 0.000 1.104 410 I CA 0.962 62.207 61.300 -0.091 0.000 1.397 410 I CB 0.289 38.198 38.000 -0.151 0.000 1.072 410 I HN 0.097 nan 8.210 nan 0.000 0.417 411 L N 1.261 122.414 121.223 -0.117 0.000 2.511 411 L HA 0.329 4.623 4.340 -0.077 0.000 0.252 411 L C -1.845 174.970 176.870 -0.092 0.000 1.542 411 L CA -1.277 53.500 54.840 -0.106 0.000 0.822 411 L CB 0.610 42.595 42.059 -0.123 0.000 1.050 411 L HN -0.196 nan 8.230 nan 0.000 0.516 412 P HA -0.215 nan 4.420 nan 0.000 0.217 412 P C 1.468 178.734 177.300 -0.056 0.000 1.151 412 P CA 1.823 64.885 63.100 -0.063 0.000 0.849 412 P CB 0.126 31.797 31.700 -0.049 0.000 0.787 413 S N -0.589 115.078 115.700 -0.055 0.000 2.442 413 S HA 0.049 4.473 4.470 -0.077 0.000 0.236 413 S C 1.498 176.068 174.600 -0.050 0.000 1.007 413 S CA 0.940 59.111 58.200 -0.049 0.000 0.965 413 S CB -0.725 62.446 63.200 -0.049 0.000 0.773 413 S HN 0.217 nan 8.310 nan 0.000 0.504 414 A N -0.446 122.337 122.820 -0.062 0.000 2.897 414 A HA 0.856 5.130 4.320 -0.077 0.000 0.230 414 A C 1.194 178.736 177.584 -0.070 0.000 0.896 414 A CA 0.108 52.109 52.037 -0.060 0.000 1.114 414 A CB -0.311 18.648 19.000 -0.069 0.000 1.230 414 A HN 0.506 nan 8.150 nan 0.000 0.481 415 A N 0.441 123.218 122.820 -0.071 0.000 1.898 415 A HA -0.089 4.185 4.320 -0.077 0.000 0.216 415 A C 1.693 179.229 177.584 -0.080 0.000 1.181 415 A CA 1.746 53.725 52.037 -0.096 0.000 0.620 415 A CB -0.305 18.638 19.000 -0.096 0.000 0.819 415 A HN 0.621 nan 8.150 nan 0.000 0.442 416 E N -0.259 119.918 120.200 -0.038 0.000 2.150 416 E HA -0.190 4.114 4.350 -0.077 0.000 0.193 416 E C 1.908 178.519 176.600 0.018 0.000 0.985 416 E CA 1.283 57.681 56.400 -0.002 0.000 0.814 416 E CB -0.167 29.545 29.700 0.020 0.000 0.752 416 E HN 0.676 nan 8.360 nan 0.000 0.466 417 E N 0.902 121.103 120.200 0.003 0.000 2.077 417 E HA -0.174 4.130 4.350 -0.077 0.000 0.193 417 E C 1.892 178.505 176.600 0.021 0.000 0.989 417 E CA 0.561 56.973 56.400 0.019 0.000 0.800 417 E CB -0.122 29.569 29.700 -0.014 0.000 0.746 417 E HN 0.074 nan 8.360 nan 0.000 0.452 418 L N 1.287 122.490 121.223 -0.034 0.000 2.093 418 L HA -0.143 4.151 4.340 -0.077 0.000 0.208 418 L C 1.770 178.625 176.870 -0.025 0.000 1.085 418 L CA 1.816 56.631 54.840 -0.041 0.000 0.755 418 L CB -0.339 41.650 42.059 -0.118 0.000 0.904 418 L HN 0.099 nan 8.230 nan 0.000 0.435 419 E N -1.292 118.860 120.200 -0.080 0.000 2.058 419 E HA -0.301 4.003 4.350 -0.077 0.000 0.194 419 E C 2.352 179.060 176.600 0.182 0.000 0.997 419 E CA 1.588 57.959 56.400 -0.049 0.000 0.801 419 E CB -0.493 29.197 29.700 -0.017 0.000 0.746 419 E HN 0.699 nan 8.360 nan 0.000 0.450 420 C N 0.467 119.870 119.300 0.173 0.000 2.393 420 C HA -0.216 4.198 4.460 -0.077 0.000 0.276 420 C C 2.493 177.665 174.990 0.303 0.000 1.215 420 C CA 1.038 60.214 59.018 0.263 0.000 1.743 420 C CB -1.174 26.738 27.740 0.286 0.000 2.044 420 C HN 0.489 nan 8.230 nan 0.000 0.464 421 F N 2.049 121.989 119.950 -0.016 0.000 2.102 421 F HA 0.039 4.522 4.527 -0.074 0.000 0.298 421 F C 2.325 178.031 175.800 -0.156 0.000 1.105 421 F CA 1.986 59.773 58.000 -0.356 0.000 1.239 421 F CB -0.829 37.893 39.000 -0.463 0.000 0.991 421 F HN 0.265 nan 8.300 nan 0.000 0.474 422 A N 0.212 123.018 122.820 -0.023 0.000 1.933 422 A HA -0.243 4.031 4.320 -0.077 0.000 0.218 422 A C 2.197 179.884 177.584 0.172 0.000 1.175 422 A CA 1.944 54.018 52.037 0.060 0.000 0.628 422 A CB -0.987 18.171 19.000 0.262 0.000 0.814 422 A HN 0.542 nan 8.150 nan 0.000 0.444 423 M N -0.401 119.328 119.600 0.215 0.000 2.202 423 M HA -0.153 4.281 4.480 -0.077 0.000 0.262 423 M C 1.035 177.188 176.300 -0.246 0.000 1.063 423 M CA 1.713 56.998 55.300 -0.024 0.000 1.097 423 M CB -0.472 32.030 32.600 -0.164 0.000 1.382 423 M HN 0.518 nan 8.290 nan 0.000 0.413 424 H N -0.982 118.165 119.070 0.128 0.000 2.505 424 H HA 0.388 4.898 4.556 -0.078 0.000 0.286 424 H C -0.255 175.091 175.328 0.030 0.000 1.072 424 H CA -0.047 56.084 56.048 0.137 0.000 1.141 424 H CB -0.188 29.759 29.762 0.308 0.000 1.550 424 H HN 0.383 nan 8.280 nan 0.000 0.547 425 N N 0.505 119.175 118.700 -0.050 0.000 2.723 425 N HA 0.138 4.832 4.740 -0.077 0.000 0.290 425 N C 0.057 175.533 175.510 -0.057 0.000 1.882 425 N CA 0.084 53.040 53.050 -0.157 0.000 0.851 425 N CB 1.501 39.636 38.487 -0.587 0.000 1.234 425 N HN 0.029 nan 8.380 nan 0.000 0.491 426 S N -0.554 115.174 115.700 0.046 0.000 2.741 426 S HA 0.056 4.480 4.470 -0.077 0.000 0.245 426 S C 0.289 174.961 174.600 0.119 0.000 1.083 426 S CA -0.002 58.255 58.200 0.095 0.000 0.873 426 S CB 1.007 64.254 63.200 0.079 0.000 0.814 426 S HN 0.405 nan 8.310 nan 0.000 0.476 427 D N 0.268 120.728 120.400 0.101 0.000 2.294 427 D HA 0.411 5.005 4.640 -0.077 0.000 0.250 427 D C 0.482 176.788 176.300 0.010 0.000 1.058 427 D CA -0.343 53.697 54.000 0.067 0.000 0.950 427 D CB 1.026 41.866 40.800 0.067 0.000 1.158 427 D HN -0.130 nan 8.370 nan 0.000 0.453 428 L N 1.516 122.686 121.223 -0.087 0.000 2.477 428 L HA 0.359 4.653 4.340 -0.077 0.000 0.220 428 L C 1.422 177.902 176.870 -0.650 0.000 1.106 428 L CA 0.880 55.539 54.840 -0.303 0.000 0.851 428 L CB -0.782 41.227 42.059 -0.083 0.000 0.994 428 L HN 0.781 nan 8.230 nan 0.000 0.462 429 G N -0.391 108.235 108.800 -0.291 0.000 2.855 429 G HA2 -0.199 3.715 3.960 -0.077 0.000 0.352 429 G HA3 -0.199 3.715 3.960 -0.077 0.000 0.352 429 G C -2.542 172.325 174.900 -0.055 0.000 1.415 429 G CA -0.973 44.050 45.100 -0.127 0.000 0.871 429 G HN 0.028 nan 8.290 nan 0.000 0.543 430 P HA 0.289 nan 4.420 nan 0.000 0.265 430 P C -0.013 177.318 177.300 0.051 0.000 1.193 430 P CA 0.537 63.660 63.100 0.040 0.000 0.765 430 P CB 0.394 32.125 31.700 0.051 0.000 0.823 431 N N -0.470 118.277 118.700 0.079 0.000 2.591 431 N HA 0.396 5.090 4.740 -0.077 0.000 0.263 431 N C 0.998 176.547 175.510 0.065 0.000 1.308 431 N CA -1.038 52.081 53.050 0.115 0.000 0.837 431 N CB 0.135 38.769 38.487 0.245 0.000 1.548 431 N HN 0.171 nan 8.380 nan 0.000 0.493 432 G N -1.009 107.784 108.800 -0.012 0.000 2.479 432 G HA2 -0.246 3.668 3.960 -0.077 0.000 0.220 432 G HA3 -0.246 3.668 3.960 -0.077 0.000 0.220 432 G C 0.438 175.213 174.900 -0.208 0.000 1.115 432 G CA 0.801 45.819 45.100 -0.137 0.000 0.757 432 G HN 0.706 nan 8.290 nan 0.000 0.560 433 H N -0.115 118.931 119.070 -0.041 0.000 2.539 433 H HA 0.175 4.684 4.556 -0.077 0.000 0.269 433 H C 2.249 177.572 175.328 -0.008 0.000 0.980 433 H CA 0.264 56.243 56.048 -0.114 0.000 1.152 433 H CB 0.120 29.684 29.762 -0.329 0.000 1.407 433 H HN 0.368 nan 8.280 nan 0.000 0.564 434 G N 1.192 110.077 108.800 0.141 0.000 2.233 434 G HA2 -0.336 3.578 3.960 -0.077 0.000 0.270 434 G HA3 -0.336 3.578 3.960 -0.077 0.000 0.270 434 G C -0.125 174.876 174.900 0.168 0.000 1.011 434 G CA 0.616 45.790 45.100 0.123 0.000 0.762 434 G HN 0.526 nan 8.290 nan 0.000 0.511 435 Y N 1.248 121.598 120.300 0.084 0.000 2.326 435 Y HA 0.702 5.206 4.550 -0.078 0.000 0.337 435 Y C 0.466 176.406 175.900 0.066 0.000 1.023 435 Y CA -1.106 57.031 58.100 0.062 0.000 1.143 435 Y CB 0.719 39.219 38.460 0.067 0.000 1.183 435 Y HN 0.172 nan 8.280 nan 0.000 0.485 436 R N 5.041 125.328 120.500 -0.354 0.000 2.837 436 R HA 0.588 4.882 4.340 -0.077 0.000 0.271 436 R C -0.988 175.086 176.300 -0.377 0.000 0.993 436 R CA -1.107 54.854 56.100 -0.233 0.000 0.931 436 R CB 2.065 32.303 30.300 -0.103 0.000 1.206 436 R HN 0.712 nan 8.270 nan 0.000 0.474 437 R N 0.787 121.195 120.500 -0.152 0.000 2.854 437 R HA 0.370 4.664 4.340 -0.077 0.000 0.271 437 R C -0.340 175.984 176.300 0.040 0.000 0.994 437 R CA -0.948 55.119 56.100 -0.056 0.000 0.945 437 R CB 1.827 32.132 30.300 0.009 0.000 1.194 437 R HN 0.593 nan 8.270 nan 0.000 0.476 438 E N 1.349 121.607 120.200 0.097 0.000 2.390 438 E HA 0.072 4.376 4.350 -0.077 0.000 0.261 438 E C -0.523 176.106 176.600 0.049 0.000 1.076 438 E CA 0.294 56.720 56.400 0.043 0.000 0.905 438 E CB 0.893 30.587 29.700 -0.009 0.000 0.984 438 E HN 0.346 nan 8.360 nan 0.000 0.427 439 E N 0.485 120.719 120.200 0.058 0.000 2.321 439 E HA 0.147 4.451 4.350 -0.077 0.000 0.278 439 E C -1.134 175.527 176.600 0.103 0.000 0.902 439 E CA -0.451 55.997 56.400 0.081 0.000 0.758 439 E CB 1.154 30.919 29.700 0.108 0.000 1.213 439 E HN 0.457 nan 8.360 nan 0.000 0.426 440 S N 3.279 119.045 115.700 0.109 0.000 3.587 440 S HA -0.198 4.226 4.470 -0.077 0.000 0.337 440 S C 1.016 175.678 174.600 0.104 0.000 1.119 440 S CA 0.802 59.117 58.200 0.193 0.000 0.976 440 S CB -0.845 62.584 63.200 0.382 0.000 0.922 440 S HN 0.642 nan 8.310 nan 0.000 0.503 441 M N 1.574 121.194 119.600 0.034 0.000 2.229 441 M HA -0.105 4.329 4.480 -0.077 0.000 0.264 441 M C 2.263 178.552 176.300 -0.018 0.000 1.063 441 M CA 2.067 57.370 55.300 0.005 0.000 1.114 441 M CB -1.307 31.283 32.600 -0.015 0.000 1.387 441 M HN 0.645 nan 8.290 nan 0.000 0.420 442 D N 1.186 121.558 120.400 -0.045 0.000 2.192 442 D HA -0.241 4.353 4.640 -0.077 0.000 0.189 442 D C 1.431 177.730 176.300 -0.000 0.000 1.007 442 D CA 2.176 56.151 54.000 -0.042 0.000 0.859 442 D CB -1.054 39.728 40.800 -0.030 0.000 0.936 442 D HN 0.564 nan 8.370 nan 0.000 0.447 443 I N -2.298 118.296 120.570 0.040 0.000 3.956 443 I HA 0.201 4.325 4.170 -0.077 0.000 0.333 443 I C 2.057 178.186 176.117 0.019 0.000 1.302 443 I CA -0.086 61.226 61.300 0.021 0.000 1.122 443 I CB -0.149 37.860 38.000 0.015 0.000 1.013 443 I HN -0.102 nan 8.210 nan 0.000 0.405 444 Q N 2.562 122.382 119.800 0.034 0.000 2.124 444 Q HA -0.007 4.287 4.340 -0.077 0.000 0.202 444 Q C -0.696 175.329 176.000 0.042 0.000 0.977 444 Q CA 2.149 57.977 55.803 0.041 0.000 0.850 444 Q CB -1.805 26.959 28.738 0.044 0.000 0.901 444 Q HN 0.361 nan 8.270 nan 0.000 0.429 445 P HA -0.041 nan 4.420 nan 0.000 0.214 445 P C 1.085 178.424 177.300 0.065 0.000 1.162 445 P CA 2.129 65.256 63.100 0.044 0.000 0.874 445 P CB -0.472 31.245 31.700 0.029 0.000 0.784 446 A N 0.415 123.265 122.820 0.050 0.000 1.884 446 A HA -0.253 4.021 4.320 -0.077 0.000 0.219 446 A C 2.390 180.029 177.584 0.092 0.000 1.197 446 A CA 2.810 54.884 52.037 0.062 0.000 0.637 446 A CB -1.775 17.227 19.000 0.003 0.000 0.827 446 A HN 0.204 nan 8.150 nan 0.000 0.450 447 A N -0.740 122.108 122.820 0.047 0.000 1.892 447 A HA -0.246 4.028 4.320 -0.077 0.000 0.218 447 A C 2.057 179.739 177.584 0.164 0.000 1.188 447 A CA 2.159 54.240 52.037 0.073 0.000 0.631 447 A CB -0.593 18.431 19.000 0.039 0.000 0.822 447 A HN 0.695 nan 8.150 nan 0.000 0.447 448 E N -0.824 119.453 120.200 0.129 0.000 2.107 448 E HA -0.123 4.181 4.350 -0.077 0.000 0.191 448 E C 2.322 179.016 176.600 0.156 0.000 0.982 448 E CA 0.677 57.154 56.400 0.129 0.000 0.809 448 E CB -0.048 29.707 29.700 0.092 0.000 0.756 448 E HN 0.561 nan 8.360 nan 0.000 0.459 449 R N -0.357 120.244 120.500 0.168 0.000 2.070 449 R HA -0.149 4.145 4.340 -0.077 0.000 0.232 449 R C 2.324 178.776 176.300 0.253 0.000 1.138 449 R CA 1.592 57.802 56.100 0.183 0.000 0.936 449 R CB -0.605 29.799 30.300 0.173 0.000 0.839 449 R HN 0.240 nan 8.270 nan 0.000 0.429 450 F N 1.364 121.412 119.950 0.163 0.000 2.115 450 F HA -0.277 4.204 4.527 -0.076 0.000 0.300 450 F C 2.014 177.989 175.800 0.291 0.000 1.092 450 F CA 1.504 59.644 58.000 0.234 0.000 1.245 450 F CB -0.218 38.860 39.000 0.129 0.000 0.995 450 F HN -0.006 nan 8.300 nan 0.000 0.481 451 L N 0.585 121.973 121.223 0.275 0.000 2.179 451 L HA -0.064 4.230 4.340 -0.077 0.000 0.208 451 L C 2.353 179.312 176.870 0.148 0.000 1.096 451 L CA 1.700 56.637 54.840 0.161 0.000 0.779 451 L CB -1.008 41.160 42.059 0.182 0.000 0.922 451 L HN 0.183 nan 8.230 nan 0.000 0.443 452 K N -0.402 120.084 120.400 0.143 0.000 2.025 452 K HA -0.074 4.200 4.320 -0.077 0.000 0.207 452 K C 1.800 178.472 176.600 0.120 0.000 1.049 452 K CA 1.131 57.490 56.287 0.121 0.000 0.933 452 K CB -0.224 32.337 32.500 0.102 0.000 0.714 452 K HN 0.321 nan 8.250 nan 0.000 0.438 453 A N -0.185 122.704 122.820 0.115 0.000 2.259 453 A HA -0.069 4.205 4.320 -0.077 0.000 0.212 453 A C 1.336 178.926 177.584 0.010 0.000 1.178 453 A CA 0.904 52.981 52.037 0.066 0.000 0.734 453 A CB -0.478 18.571 19.000 0.081 0.000 0.774 453 A HN 0.397 nan 8.150 nan 0.000 0.481 454 F N -1.156 118.784 119.950 -0.017 0.000 2.539 454 F HA 0.227 4.709 4.527 -0.075 0.000 0.277 454 F C 1.316 177.203 175.800 0.146 0.000 0.925 454 F CA 0.399 58.421 58.000 0.036 0.000 1.193 454 F CB 0.207 39.127 39.000 -0.133 0.000 1.128 454 F HN -0.133 nan 8.300 nan 0.000 0.740 455 K N 1.338 121.916 120.400 0.297 0.000 3.354 455 K HA -0.072 4.202 4.320 -0.077 0.000 0.295 455 K C 0.188 176.886 176.600 0.163 0.000 0.831 455 K CA 0.720 57.134 56.287 0.213 0.000 1.056 455 K CB -0.297 32.289 32.500 0.143 0.000 1.090 455 K HN 0.470 nan 8.250 nan 0.000 0.410 456 E N -2.209 118.089 120.200 0.163 0.000 2.447 456 E HA 0.032 4.336 4.350 -0.077 0.000 0.244 456 E C 0.619 177.244 176.600 0.043 0.000 1.098 456 E CA 0.419 56.869 56.400 0.083 0.000 1.724 456 E CB 0.908 30.641 29.700 0.054 0.000 3.247 456 E HN 0.317 nan 8.360 nan 0.000 1.055 457 G N 1.776 110.598 108.800 0.035 0.000 2.148 457 G HA2 -0.209 3.705 3.960 -0.077 0.000 0.203 457 G HA3 -0.209 3.705 3.960 -0.077 0.000 0.203 457 G C 0.624 175.448 174.900 -0.126 0.000 0.993 457 G CA 0.354 45.410 45.100 -0.074 0.000 0.661 457 G HN -0.006 nan 8.290 nan 0.000 0.518 458 K N 0.588 120.930 120.400 -0.098 0.000 2.504 458 K HA 0.103 4.377 4.320 -0.077 0.000 0.199 458 K C 0.851 177.382 176.600 -0.115 0.000 1.028 458 K CA 0.142 56.378 56.287 -0.086 0.000 1.164 458 K CB -0.379 32.099 32.500 -0.037 0.000 0.877 458 K HN 0.474 nan 8.250 nan 0.000 0.508 459 N N 0.555 119.140 118.700 -0.191 0.000 4.161 459 N HA -0.250 4.444 4.740 -0.077 0.000 0.323 459 N C -0.897 174.530 175.510 -0.138 0.000 2.153 459 N CA 0.660 53.570 53.050 -0.234 0.000 3.017 459 N CB -0.429 37.934 38.487 -0.207 0.000 0.293 459 N HN 0.221 nan 8.380 nan 0.000 0.790 460 Y N -0.295 119.951 120.300 -0.089 0.000 2.519 460 Y HA 0.691 5.196 4.550 -0.075 0.000 0.324 460 Y C 0.493 176.466 175.900 0.122 0.000 1.214 460 Y CA -1.190 56.946 58.100 0.061 0.000 1.260 460 Y CB 0.632 39.215 38.460 0.205 0.000 1.311 460 Y HN 0.409 nan 8.280 nan 0.000 0.505 461 D N 1.104 121.782 120.400 0.462 0.000 2.264 461 D HA 0.106 4.700 4.640 -0.077 0.000 0.250 461 D C 0.454 177.051 176.300 0.495 0.000 1.113 461 D CA -0.182 54.019 54.000 0.336 0.000 0.871 461 D CB 1.738 42.692 40.800 0.256 0.000 1.167 461 D HN 0.792 nan 8.370 nan 0.000 0.447 462 K N 2.609 123.199 120.400 0.317 0.000 2.148 462 K HA -0.106 4.168 4.320 -0.077 0.000 0.204 462 K C 1.702 178.477 176.600 0.293 0.000 1.050 462 K CA 1.110 57.597 56.287 0.334 0.000 0.942 462 K CB 0.094 32.696 32.500 0.169 0.000 0.724 462 K HN 0.459 nan 8.250 nan 0.000 0.446 463 A N 1.717 124.660 122.820 0.205 0.000 1.865 463 A HA -0.241 4.033 4.320 -0.077 0.000 0.217 463 A C 1.642 179.312 177.584 0.144 0.000 1.191 463 A CA 2.201 54.322 52.037 0.139 0.000 0.623 463 A CB -0.803 18.256 19.000 0.097 0.000 0.826 463 A HN 0.355 nan 8.150 nan 0.000 0.444 464 D N -1.091 119.424 120.400 0.192 0.000 2.106 464 D HA -0.175 4.419 4.640 -0.077 0.000 0.191 464 D C 1.618 177.952 176.300 0.057 0.000 0.997 464 D CA 1.463 55.552 54.000 0.149 0.000 0.834 464 D CB -0.587 40.380 40.800 0.279 0.000 0.956 464 D HN 0.450 nan 8.370 nan 0.000 0.448 465 F N 1.789 121.759 119.950 0.033 0.000 2.120 465 F HA -0.198 4.284 4.527 -0.075 0.000 0.300 465 F C 2.117 177.844 175.800 -0.122 0.000 1.095 465 F CA 1.724 59.654 58.000 -0.115 0.000 1.249 465 F CB 0.000 39.046 39.000 0.076 0.000 0.995 465 F HN 0.054 nan 8.300 nan 0.000 0.480 466 E N -2.008 118.265 120.200 0.122 0.000 2.478 466 E HA -0.027 4.277 4.350 -0.077 0.000 0.194 466 E C 1.611 178.186 176.600 -0.041 0.000 1.045 466 E CA 1.056 57.479 56.400 0.038 0.000 0.868 466 E CB -0.492 29.298 29.700 0.149 0.000 0.885 466 E HN 0.324 nan 8.360 nan 0.000 0.505 467 T N 1.878 116.380 114.554 -0.086 0.000 2.809 467 T HA 0.022 4.326 4.350 -0.077 0.000 0.260 467 T C 1.990 176.551 174.700 -0.232 0.000 1.039 467 T CA 0.452 62.500 62.100 -0.086 0.000 1.141 467 T CB -0.134 68.688 68.868 -0.076 0.000 0.869 467 T HN 0.077 nan 8.240 nan 0.000 0.437 468 L N 1.308 122.261 121.223 -0.449 0.000 1.989 468 L HA -0.218 4.076 4.340 -0.077 0.000 0.211 468 L C 3.050 179.248 176.870 -1.121 0.000 1.071 468 L CA 1.844 56.170 54.840 -0.857 0.000 0.749 468 L CB -0.712 40.790 42.059 -0.928 0.000 0.890 468 L HN 0.391 nan 8.230 nan 0.000 0.431 469 Q N -0.361 119.002 119.800 -0.728 0.000 2.124 469 Q HA -0.291 4.003 4.340 -0.077 0.000 0.202 469 Q C 2.301 178.155 176.000 -0.244 0.000 0.977 469 Q CA 1.953 57.490 55.803 -0.442 0.000 0.850 469 Q CB -0.469 28.079 28.738 -0.317 0.000 0.901 469 Q HN 0.564 nan 8.270 nan 0.000 0.429 470 Y N 1.590 121.729 120.300 -0.269 0.000 2.224 470 Y HA -0.159 4.347 4.550 -0.074 0.000 0.289 470 Y C 2.087 177.887 175.900 -0.166 0.000 1.146 470 Y CA 2.150 60.157 58.100 -0.156 0.000 1.182 470 Y CB -0.420 37.974 38.460 -0.110 0.000 0.983 470 Y HN 0.112 nan 8.280 nan 0.000 0.524 471 T N 0.921 115.269 114.554 -0.343 0.000 2.701 471 T HA -0.143 4.161 4.350 -0.077 0.000 0.263 471 T C 1.500 176.024 174.700 -0.294 0.000 1.040 471 T CA 1.731 63.611 62.100 -0.366 0.000 1.147 471 T CB -0.579 68.047 68.868 -0.403 0.000 0.865 471 T HN 0.256 nan 8.240 nan 0.000 0.426 472 F N 1.632 121.414 119.950 -0.280 0.000 2.126 472 F HA -0.033 4.450 4.527 -0.074 0.000 0.299 472 F C 2.488 178.140 175.800 -0.248 0.000 1.096 472 F CA 0.600 58.428 58.000 -0.287 0.000 1.255 472 F CB -1.121 37.715 39.000 -0.273 0.000 0.997 472 F HN 0.283 nan 8.300 nan 0.000 0.479 473 E N -0.100 120.063 120.200 -0.062 0.000 2.077 473 E HA -0.231 4.073 4.350 -0.077 0.000 0.193 473 E C 2.494 179.007 176.600 -0.146 0.000 0.989 473 E CA 0.938 57.276 56.400 -0.102 0.000 0.800 473 E CB 0.052 29.681 29.700 -0.119 0.000 0.746 473 E HN -0.033 nan 8.360 nan 0.000 0.452 474 R N 0.296 120.633 120.500 -0.271 0.000 2.075 474 R HA -0.028 4.266 4.340 -0.077 0.000 0.232 474 R C 2.284 178.576 176.300 -0.013 0.000 1.126 474 R CA 1.330 57.300 56.100 -0.217 0.000 0.963 474 R CB -0.618 29.445 30.300 -0.395 0.000 0.858 474 R HN 0.357 nan 8.270 nan 0.000 0.435 475 M N 0.337 119.937 119.600 0.001 0.000 2.106 475 M HA -0.251 4.183 4.480 -0.077 0.000 0.259 475 M C 2.008 178.373 176.300 0.109 0.000 1.068 475 M CA 1.944 57.287 55.300 0.071 0.000 1.100 475 M CB -0.213 32.183 32.600 -0.339 0.000 1.351 475 M HN 0.033 nan 8.290 nan 0.000 0.404 476 K N -0.143 120.259 120.400 0.004 0.000 2.044 476 K HA -0.095 4.179 4.320 -0.077 0.000 0.204 476 K C 1.810 178.435 176.600 0.042 0.000 1.049 476 K CA 1.208 57.506 56.287 0.018 0.000 0.945 476 K CB -0.206 32.280 32.500 -0.024 0.000 0.724 476 K HN 0.405 nan 8.250 nan 0.000 0.440 477 E N 0.996 121.209 120.200 0.022 0.000 2.048 477 E HA -0.208 4.096 4.350 -0.077 0.000 0.202 477 E C 2.187 178.812 176.600 0.041 0.000 1.021 477 E CA 1.862 58.275 56.400 0.021 0.000 0.825 477 E CB -0.146 29.555 29.700 0.003 0.000 0.756 477 E HN 0.166 nan 8.360 nan 0.000 0.454 478 S N 0.921 116.672 115.700 0.084 0.000 2.359 478 S HA -0.210 4.214 4.470 -0.077 0.000 0.224 478 S C 2.192 176.822 174.600 0.050 0.000 1.035 478 S CA 1.066 59.320 58.200 0.090 0.000 1.018 478 S CB -0.369 62.946 63.200 0.191 0.000 0.876 478 S HN 0.425 nan 8.310 nan 0.000 0.448 479 A N 2.131 125.036 122.820 0.142 0.000 1.908 479 A HA -0.185 4.089 4.320 -0.077 0.000 0.218 479 A C 1.849 179.424 177.584 -0.015 0.000 1.181 479 A CA 1.799 53.884 52.037 0.080 0.000 0.627 479 A CB -0.636 18.517 19.000 0.254 0.000 0.818 479 A HN 0.379 nan 8.150 nan 0.000 0.445 480 D N -0.252 120.155 120.400 0.012 0.000 2.162 480 D HA -0.024 4.570 4.640 -0.077 0.000 0.203 480 D C 1.946 178.228 176.300 -0.030 0.000 0.967 480 D CA 0.879 54.876 54.000 -0.005 0.000 0.840 480 D CB -0.240 40.565 40.800 0.009 0.000 0.972 480 D HN 0.517 nan 8.370 nan 0.000 0.482 481 I N 0.712 121.263 120.570 -0.031 0.000 2.202 481 I HA -0.205 3.919 4.170 -0.077 0.000 0.242 481 I C 2.460 178.530 176.117 -0.077 0.000 1.091 481 I CA 0.604 61.878 61.300 -0.044 0.000 1.368 481 I CB -0.206 37.775 38.000 -0.032 0.000 1.058 481 I HN -0.035 nan 8.210 nan 0.000 0.410 482 L N 0.466 121.621 121.223 -0.113 0.000 1.989 482 L HA -0.262 4.032 4.340 -0.077 0.000 0.211 482 L C 2.640 179.406 176.870 -0.173 0.000 1.071 482 L CA 1.508 56.243 54.840 -0.176 0.000 0.749 482 L CB -0.643 41.240 42.059 -0.293 0.000 0.890 482 L HN 0.269 nan 8.230 nan 0.000 0.431 483 L N -0.973 120.150 121.223 -0.167 0.000 2.089 483 L HA -0.271 4.023 4.340 -0.077 0.000 0.213 483 L C 2.196 179.010 176.870 -0.094 0.000 1.079 483 L CA 1.269 56.023 54.840 -0.145 0.000 0.758 483 L CB -0.296 41.701 42.059 -0.105 0.000 0.891 483 L HN 0.404 nan 8.230 nan 0.000 0.433 484 M N -1.309 118.247 119.600 -0.074 0.000 2.383 484 M HA 0.099 4.533 4.480 -0.077 0.000 0.247 484 M C 0.457 176.722 176.300 -0.058 0.000 1.117 484 M CA 0.098 55.367 55.300 -0.053 0.000 0.995 484 M CB -0.862 31.717 32.600 -0.036 0.000 1.480 484 M HN 0.164 nan 8.290 nan 0.000 0.485 485 N N 1.869 120.523 118.700 -0.076 0.000 2.497 485 N HA 0.060 4.754 4.740 -0.077 0.000 0.271 485 N C 0.345 175.812 175.510 -0.071 0.000 1.142 485 N CA 0.694 53.699 53.050 -0.075 0.000 0.965 485 N CB 1.299 39.730 38.487 -0.094 0.000 1.077 485 N HN 0.196 nan 8.380 nan 0.000 0.462 486 T N -0.293 114.225 114.554 -0.060 0.000 3.040 486 T HA 0.083 4.387 4.350 -0.077 0.000 0.266 486 T C 1.140 175.806 174.700 -0.057 0.000 1.005 486 T CA -0.305 61.762 62.100 -0.055 0.000 0.906 486 T CB 0.209 69.051 68.868 -0.043 0.000 1.082 486 T HN 0.654 nan 8.240 nan 0.000 0.531 487 E N 1.863 122.025 120.200 -0.063 0.000 2.158 487 E HA -0.048 4.256 4.350 -0.077 0.000 0.191 487 E C 0.497 177.053 176.600 -0.073 0.000 0.982 487 E CA 0.521 56.883 56.400 -0.062 0.000 0.823 487 E CB 0.201 29.864 29.700 -0.062 0.000 0.766 487 E HN 0.322 nan 8.360 nan 0.000 0.468 488 N N 0.275 118.923 118.700 -0.087 0.000 2.750 488 N HA 0.102 4.796 4.740 -0.077 0.000 0.253 488 N C -0.385 175.063 175.510 -0.104 0.000 1.408 488 N CA -0.155 52.833 53.050 -0.102 0.000 0.780 488 N CB 0.743 39.157 38.487 -0.122 0.000 1.191 488 N HN 0.002 nan 8.380 nan 0.000 0.511 489 K N 0.544 120.892 120.400 -0.087 0.000 2.057 489 K HA -0.058 4.216 4.320 -0.077 0.000 0.207 489 K C -0.999 175.550 176.600 -0.085 0.000 1.049 489 K CA 1.430 57.669 56.287 -0.079 0.000 0.931 489 K CB -0.439 32.025 32.500 -0.060 0.000 0.714 489 K HN 0.343 nan 8.250 nan 0.000 0.440 490 P HA -0.174 nan 4.420 nan 0.000 0.216 490 P C 1.388 178.622 177.300 -0.109 0.000 1.150 490 P CA 0.848 63.891 63.100 -0.095 0.000 0.837 490 P CB 0.056 31.686 31.700 -0.116 0.000 0.786 491 L N -0.777 120.364 121.223 -0.136 0.000 2.012 491 L HA -0.164 4.130 4.340 -0.077 0.000 0.210 491 L C 2.018 178.803 176.870 -0.141 0.000 1.073 491 L CA 2.016 56.767 54.840 -0.149 0.000 0.748 491 L CB -1.186 40.774 42.059 -0.166 0.000 0.891 491 L HN -0.160 nan 8.230 nan 0.000 0.431 492 I N -0.900 119.588 120.570 -0.136 0.000 2.226 492 I HA -0.220 3.904 4.170 -0.077 0.000 0.245 492 I C 2.598 178.645 176.117 -0.116 0.000 1.100 492 I CA 1.149 62.361 61.300 -0.147 0.000 1.374 492 I CB -1.432 36.486 38.000 -0.137 0.000 1.057 492 I HN 0.130 nan 8.210 nan 0.000 0.413 493 V N 1.047 120.914 119.914 -0.079 0.000 2.407 493 V HA -0.253 3.821 4.120 -0.077 0.000 0.248 493 V C 2.441 178.527 176.094 -0.012 0.000 1.055 493 V CA 1.651 63.928 62.300 -0.039 0.000 1.049 493 V CB -0.687 31.123 31.823 -0.021 0.000 0.662 493 V HN 0.448 nan 8.190 nan 0.000 0.455 494 E N 0.412 120.593 120.200 -0.032 0.000 2.077 494 E HA -0.186 4.118 4.350 -0.077 0.000 0.193 494 E C 2.096 178.662 176.600 -0.056 0.000 0.989 494 E CA 1.837 58.225 56.400 -0.019 0.000 0.800 494 E CB -0.220 29.438 29.700 -0.071 0.000 0.746 494 E HN 0.815 nan 8.360 nan 0.000 0.452 495 I N -1.777 118.741 120.570 -0.087 0.000 3.603 495 I HA 0.052 4.176 4.170 -0.077 0.000 0.297 495 I C 1.858 178.005 176.117 0.050 0.000 1.269 495 I CA 0.325 61.607 61.300 -0.030 0.000 1.361 495 I CB -0.119 37.791 38.000 -0.151 0.000 1.063 495 I HN -0.152 nan 8.210 nan 0.000 0.448 496 T N 2.890 117.412 114.554 -0.054 0.000 2.620 496 T HA -0.136 4.168 4.350 -0.077 0.000 0.267 496 T C -0.301 174.300 174.700 -0.166 0.000 1.044 496 T CA 2.746 64.738 62.100 -0.180 0.000 1.161 496 T CB -1.290 67.488 68.868 -0.150 0.000 0.862 496 T HN 0.367 nan 8.240 nan 0.000 0.438 497 P HA -0.085 nan 4.420 nan 0.000 0.215 497 P C 1.313 178.563 177.300 -0.082 0.000 1.153 497 P CA 1.051 64.101 63.100 -0.083 0.000 0.853 497 P CB -0.173 31.332 31.700 -0.324 0.000 0.788 498 W N -0.892 120.415 121.300 0.011 0.000 2.436 498 W HA -0.051 4.571 4.660 -0.064 0.000 0.284 498 W C 1.936 178.573 176.519 0.197 0.000 1.225 498 W CA 0.589 58.007 57.345 0.121 0.000 1.271 498 W CB -0.919 28.640 29.460 0.166 0.000 1.114 498 W HN -0.201 nan 8.180 nan 0.000 0.559 499 V N 0.070 120.079 119.914 0.159 0.000 2.343 499 V HA -0.314 3.760 4.120 -0.077 0.000 0.247 499 V C 1.818 177.952 176.094 0.066 0.000 1.051 499 V CA 2.075 64.327 62.300 -0.079 0.000 1.036 499 V CB -1.139 30.427 31.823 -0.428 0.000 0.654 499 V HN 0.212 nan 8.190 nan 0.000 0.451 500 H N -0.873 118.244 119.070 0.078 0.000 2.321 500 H HA -0.210 4.354 4.556 0.015 0.000 0.300 500 H C 2.469 177.838 175.328 0.068 0.000 1.087 500 H CA 1.721 57.797 56.048 0.047 0.000 1.319 500 H CB 0.065 29.828 29.762 0.001 0.000 1.379 500 H HN 0.306 nan 8.280 nan 0.000 0.501 501 Q N 0.249 120.166 119.800 0.195 0.000 2.084 501 Q HA -0.141 4.153 4.340 -0.077 0.000 0.202 501 Q C 1.934 178.040 176.000 0.178 0.000 0.978 501 Q CA 1.322 57.199 55.803 0.122 0.000 0.844 501 Q CB -0.367 28.400 28.738 0.048 0.000 0.898 501 Q HN 0.454 nan 8.270 nan 0.000 0.426 502 F N 0.665 120.696 119.950 0.135 0.000 2.171 502 F HA -0.153 4.324 4.527 -0.084 0.000 0.300 502 F C 2.076 177.918 175.800 0.070 0.000 1.090 502 F CA 1.777 59.869 58.000 0.154 0.000 1.293 502 F CB -0.082 39.136 39.000 0.364 0.000 1.013 502 F HN 0.038 nan 8.300 nan 0.000 0.486 503 K N 0.320 120.829 120.400 0.183 0.000 2.026 503 K HA -0.153 4.121 4.320 -0.077 0.000 0.208 503 K C 2.138 178.682 176.600 -0.092 0.000 1.048 503 K CA 1.715 58.015 56.287 0.022 0.000 0.929 503 K CB -0.380 32.172 32.500 0.086 0.000 0.713 503 K HN 0.344 nan 8.250 nan 0.000 0.439 504 L N 0.585 121.775 121.223 -0.054 0.000 2.127 504 L HA -0.191 4.103 4.340 -0.077 0.000 0.211 504 L C 2.321 179.061 176.870 -0.217 0.000 1.089 504 L CA 1.488 56.255 54.840 -0.123 0.000 0.757 504 L CB -0.553 41.460 42.059 -0.076 0.000 0.899 504 L HN 0.325 nan 8.230 nan 0.000 0.434 505 T N -0.277 114.146 114.554 -0.219 0.000 2.746 505 T HA -0.169 4.134 4.350 -0.077 0.000 0.267 505 T C 2.017 176.421 174.700 -0.493 0.000 1.039 505 T CA 1.287 63.197 62.100 -0.318 0.000 1.142 505 T CB -0.239 68.476 68.868 -0.256 0.000 0.866 505 T HN 0.460 nan 8.240 nan 0.000 0.444 506 A N 1.648 124.181 122.820 -0.479 0.000 1.902 506 A HA -0.124 4.150 4.320 -0.077 0.000 0.217 506 A C 2.241 179.509 177.584 -0.527 0.000 1.181 506 A CA 1.488 53.215 52.037 -0.516 0.000 0.623 506 A CB -0.501 18.297 19.000 -0.337 0.000 0.818 506 A HN 0.552 nan 8.150 nan 0.000 0.443 507 E N -0.953 119.020 120.200 -0.379 0.000 2.051 507 E HA -0.209 4.095 4.350 -0.077 0.000 0.192 507 E C 2.073 178.400 176.600 -0.455 0.000 0.991 507 E CA 1.339 57.532 56.400 -0.345 0.000 0.799 507 E CB -0.278 29.259 29.700 -0.271 0.000 0.748 507 E HN 0.711 nan 8.360 nan 0.000 0.449 508 M N 0.645 119.955 119.600 -0.483 0.000 2.108 508 M HA -0.138 4.296 4.480 -0.077 0.000 0.261 508 M C 2.220 178.171 176.300 -0.582 0.000 1.066 508 M CA 1.986 56.982 55.300 -0.506 0.000 1.107 508 M CB -0.323 32.007 32.600 -0.450 0.000 1.356 508 M HN 0.161 nan 8.290 nan 0.000 0.406 509 G N 0.024 108.297 108.800 -0.878 0.000 2.476 509 G HA2 -0.265 3.649 3.960 -0.077 0.000 0.218 509 G HA3 -0.265 3.649 3.960 -0.077 0.000 0.218 509 G C 1.255 175.691 174.900 -0.774 0.000 1.164 509 G CA 1.248 45.500 45.100 -1.413 0.000 0.768 509 G HN 0.607 nan 8.290 nan 0.000 0.560 510 E N 0.026 119.904 120.200 -0.537 0.000 2.106 510 E HA -0.087 4.217 4.350 -0.077 0.000 0.192 510 E C 2.553 179.076 176.600 -0.128 0.000 0.984 510 E CA 0.868 57.177 56.400 -0.151 0.000 0.806 510 E CB 0.033 29.666 29.700 -0.112 0.000 0.750 510 E HN 0.350 nan 8.360 nan 0.000 0.458 511 E N 0.310 120.371 120.200 -0.232 0.000 2.107 511 E HA -0.102 4.202 4.350 -0.077 0.000 0.191 511 E C 2.308 178.821 176.600 -0.146 0.000 0.982 511 E CA 0.531 56.809 56.400 -0.204 0.000 0.809 511 E CB -0.158 29.334 29.700 -0.346 0.000 0.756 511 E HN 0.120 nan 8.360 nan 0.000 0.459 512 V N 1.732 121.544 119.914 -0.170 0.000 2.407 512 V HA -0.225 3.849 4.120 -0.077 0.000 0.248 512 V C 2.450 178.565 176.094 0.035 0.000 1.055 512 V CA 1.315 63.578 62.300 -0.063 0.000 1.049 512 V CB -0.509 31.268 31.823 -0.077 0.000 0.662 512 V HN 0.198 nan 8.190 nan 0.000 0.455 513 L N -0.733 120.507 121.223 0.028 0.000 2.156 513 L HA -0.136 4.158 4.340 -0.077 0.000 0.208 513 L C 2.465 179.544 176.870 0.349 0.000 1.095 513 L CA 1.386 56.315 54.840 0.148 0.000 0.770 513 L CB -0.629 41.328 42.059 -0.170 0.000 0.914 513 L HN 0.255 nan 8.230 nan 0.000 0.439 514 K N -0.034 120.507 120.400 0.236 0.000 2.147 514 K HA -0.099 4.175 4.320 -0.077 0.000 0.205 514 K C 2.095 178.893 176.600 0.330 0.000 1.049 514 K CA 1.254 57.732 56.287 0.319 0.000 0.936 514 K CB -0.087 32.560 32.500 0.246 0.000 0.722 514 K HN 0.272 nan 8.250 nan 0.000 0.446 515 M N -0.027 119.672 119.600 0.166 0.000 2.394 515 M HA -0.114 4.320 4.480 -0.077 0.000 0.264 515 M C 1.892 178.431 176.300 0.397 0.000 1.073 515 M CA 0.884 56.252 55.300 0.114 0.000 1.111 515 M CB 0.194 32.696 32.600 -0.162 0.000 1.401 515 M HN -0.053 nan 8.290 nan 0.000 0.448 516 V N 0.131 120.296 119.914 0.418 0.000 2.488 516 V HA -0.158 3.916 4.120 -0.077 0.000 0.246 516 V C 1.461 177.869 176.094 0.525 0.000 1.046 516 V CA 1.483 64.105 62.300 0.537 0.000 1.053 516 V CB -0.313 31.880 31.823 0.616 0.000 0.679 516 V HN 0.416 nan 8.190 nan 0.000 0.458 517 E N 0.812 121.278 120.200 0.443 0.000 2.365 517 E HA 0.111 4.415 4.350 -0.077 0.000 0.188 517 E C 1.166 177.974 176.600 0.346 0.000 1.102 517 E CA 0.003 56.599 56.400 0.325 0.000 0.927 517 E CB -0.188 29.663 29.700 0.251 0.000 1.073 517 E HN 0.559 nan 8.360 nan 0.000 0.467 518 G N 2.652 111.730 108.800 0.463 0.000 2.198 518 G HA2 -0.247 3.667 3.960 -0.077 0.000 0.280 518 G HA3 -0.247 3.667 3.960 -0.077 0.000 0.280 518 G C 1.127 176.266 174.900 0.397 0.000 0.954 518 G CA 0.108 45.542 45.100 0.558 0.000 1.281 518 G HN 0.379 nan 8.290 nan 0.000 0.373 519 R N 2.129 122.807 120.500 0.296 0.000 2.062 519 R HA -0.040 4.254 4.340 -0.077 0.000 0.229 519 R C 0.736 177.143 176.300 0.177 0.000 1.128 519 R CA 1.215 57.397 56.100 0.136 0.000 0.960 519 R CB -0.251 30.007 30.300 -0.070 0.000 0.855 519 R HN 0.614 nan 8.270 nan 0.000 0.432 520 N N -1.250 117.595 118.700 0.242 0.000 2.647 520 N HA 0.015 4.709 4.740 -0.077 0.000 0.266 520 N C -0.071 175.609 175.510 0.282 0.000 1.373 520 N CA -0.837 52.357 53.050 0.239 0.000 0.807 520 N CB 1.421 40.012 38.487 0.173 0.000 1.513 520 N HN 0.044 nan 8.380 nan 0.000 0.505 521 E N -0.425 119.896 120.200 0.202 0.000 2.085 521 E HA -0.207 4.097 4.350 -0.077 0.000 0.194 521 E C 0.792 177.481 176.600 0.149 0.000 0.994 521 E CA 1.924 58.350 56.400 0.045 0.000 0.801 521 E CB -0.046 29.547 29.700 -0.179 0.000 0.743 521 E HN 0.687 nan 8.360 nan 0.000 0.453 522 S N -0.981 114.816 115.700 0.162 0.000 2.558 522 S HA -0.071 4.353 4.470 -0.077 0.000 0.217 522 S C 1.697 176.407 174.600 0.183 0.000 0.975 522 S CA -0.037 58.250 58.200 0.145 0.000 0.912 522 S CB -0.230 63.036 63.200 0.110 0.000 0.776 522 S HN 0.452 nan 8.310 nan 0.000 0.526 523 Y N 1.388 121.761 120.300 0.123 0.000 2.286 523 Y HA 0.141 4.645 4.550 -0.075 0.000 0.293 523 Y C 1.747 177.716 175.900 0.116 0.000 1.124 523 Y CA 0.700 58.867 58.100 0.110 0.000 1.178 523 Y CB -0.442 38.092 38.460 0.123 0.000 1.010 523 Y HN 0.286 nan 8.280 nan 0.000 0.536 524 F N 0.392 120.412 119.950 0.117 0.000 2.095 524 F HA -0.259 4.223 4.527 -0.074 0.000 0.298 524 F C 1.742 177.441 175.800 -0.167 0.000 1.104 524 F CA 1.950 59.931 58.000 -0.033 0.000 1.232 524 F CB -0.368 38.593 39.000 -0.065 0.000 0.987 524 F HN 0.041 nan 8.300 nan 0.000 0.475 525 L N -0.385 120.865 121.223 0.044 0.000 2.156 525 L HA -0.097 4.196 4.340 -0.077 0.000 0.208 525 L C 2.492 179.343 176.870 -0.031 0.000 1.095 525 L CA 0.881 55.708 54.840 -0.022 0.000 0.770 525 L CB -0.565 41.500 42.059 0.010 0.000 0.914 525 L HN -0.012 nan 8.230 nan 0.000 0.439 526 R N -0.119 120.329 120.500 -0.088 0.000 2.073 526 R HA -0.139 4.155 4.340 -0.077 0.000 0.234 526 R C 2.308 178.506 176.300 -0.170 0.000 1.134 526 R CA 1.067 57.090 56.100 -0.128 0.000 0.952 526 R CB -0.171 30.029 30.300 -0.166 0.000 0.850 526 R HN 0.138 nan 8.270 nan 0.000 0.433 527 K N 0.139 120.355 120.400 -0.307 0.000 2.026 527 K HA -0.190 4.084 4.320 -0.077 0.000 0.208 527 K C 1.968 178.441 176.600 -0.211 0.000 1.048 527 K CA 1.478 57.581 56.287 -0.306 0.000 0.929 527 K CB -0.717 31.515 32.500 -0.447 0.000 0.713 527 K HN 0.283 nan 8.250 nan 0.000 0.439 528 Y N 2.472 122.542 120.300 -0.384 0.000 2.165 528 Y HA -0.221 4.285 4.550 -0.073 0.000 0.286 528 Y C 1.739 177.573 175.900 -0.109 0.000 1.155 528 Y CA 1.683 59.639 58.100 -0.241 0.000 1.164 528 Y CB -0.198 38.081 38.460 -0.300 0.000 0.978 528 Y HN 0.120 nan 8.280 nan 0.000 0.513 529 N N -0.807 117.888 118.700 -0.009 0.000 2.270 529 N HA -0.183 4.511 4.740 -0.077 0.000 0.181 529 N C 1.773 177.224 175.510 -0.099 0.000 1.016 529 N CA 1.549 54.557 53.050 -0.070 0.000 0.870 529 N CB -0.641 37.864 38.487 0.029 0.000 0.979 529 N HN 0.648 nan 8.380 nan 0.000 0.431 530 H N 0.144 119.086 119.070 -0.212 0.000 2.363 530 H HA 0.017 4.525 4.556 -0.081 0.000 0.301 530 H C 1.781 176.947 175.328 -0.271 0.000 1.074 530 H CA 0.784 56.703 56.048 -0.214 0.000 1.354 530 H CB 0.449 30.091 29.762 -0.200 0.000 1.397 530 H HN -0.110 nan 8.280 nan 0.000 0.516 531 V N 1.582 121.320 119.914 -0.294 0.000 2.255 531 V HA -0.283 3.791 4.120 -0.077 0.000 0.247 531 V C 2.381 178.185 176.094 -0.484 0.000 1.051 531 V CA 1.788 63.806 62.300 -0.469 0.000 1.018 531 V CB -0.374 31.118 31.823 -0.552 0.000 0.641 531 V HN 0.400 nan 8.190 nan 0.000 0.445 532 K N 0.617 120.720 120.400 -0.494 0.000 2.103 532 K HA -0.130 4.144 4.320 -0.077 0.000 0.207 532 K C 2.251 178.696 176.600 -0.258 0.000 1.048 532 K CA 1.730 57.772 56.287 -0.408 0.000 0.930 532 K CB -1.002 31.264 32.500 -0.390 0.000 0.716 532 K HN 0.510 nan 8.250 nan 0.000 0.444 533 A N 1.231 123.939 122.820 -0.187 0.000 1.930 533 A HA -0.071 4.203 4.320 -0.077 0.000 0.217 533 A C 2.357 179.873 177.584 -0.114 0.000 1.175 533 A CA 1.055 53.025 52.037 -0.111 0.000 0.627 533 A CB -0.556 18.416 19.000 -0.045 0.000 0.815 533 A HN 0.183 nan 8.150 nan 0.000 0.443 534 L N -0.897 120.230 121.223 -0.161 0.000 2.141 534 L HA -0.221 4.073 4.340 -0.077 0.000 0.209 534 L C 2.843 179.604 176.870 -0.182 0.000 1.094 534 L CA 1.279 56.006 54.840 -0.189 0.000 0.763 534 L CB -0.509 41.368 42.059 -0.302 0.000 0.908 534 L HN 0.478 nan 8.230 nan 0.000 0.437 535 Q N -0.400 119.263 119.800 -0.229 0.000 2.084 535 Q HA -0.265 4.029 4.340 -0.077 0.000 0.202 535 Q C 2.254 178.206 176.000 -0.081 0.000 0.978 535 Q CA 1.557 57.244 55.803 -0.193 0.000 0.844 535 Q CB -0.105 28.471 28.738 -0.270 0.000 0.898 535 Q HN 0.558 nan 8.270 nan 0.000 0.426 536 Q N 0.145 119.894 119.800 -0.085 0.000 2.167 536 Q HA -0.178 4.116 4.340 -0.077 0.000 0.202 536 Q C 2.046 178.110 176.000 0.107 0.000 0.970 536 Q CA 1.018 56.822 55.803 0.001 0.000 0.855 536 Q CB 0.079 28.784 28.738 -0.056 0.000 0.911 536 Q HN 0.433 nan 8.270 nan 0.000 0.438 537 Q N -0.114 119.701 119.800 0.025 0.000 2.119 537 Q HA -0.115 4.179 4.340 -0.077 0.000 0.201 537 Q C 2.066 178.119 176.000 0.089 0.000 0.972 537 Q CA 1.131 56.960 55.803 0.042 0.000 0.847 537 Q CB -0.016 28.702 28.738 -0.034 0.000 0.903 537 Q HN 0.453 nan 8.270 nan 0.000 0.433 538 M N -0.479 119.144 119.600 0.039 0.000 2.117 538 M HA -0.152 4.282 4.480 -0.077 0.000 0.262 538 M C 2.024 178.354 176.300 0.050 0.000 1.065 538 M CA 1.322 56.633 55.300 0.018 0.000 1.114 538 M CB -0.353 32.231 32.600 -0.027 0.000 1.361 538 M HN 0.194 nan 8.290 nan 0.000 0.408 539 F N 0.308 120.232 119.950 -0.044 0.000 2.126 539 F HA -0.295 4.186 4.527 -0.077 0.000 0.299 539 F C 2.340 178.132 175.800 -0.015 0.000 1.096 539 F CA 1.639 59.616 58.000 -0.037 0.000 1.255 539 F CB -0.499 38.482 39.000 -0.032 0.000 0.997 539 F HN 0.067 nan 8.300 nan 0.000 0.479 540 Y N 0.841 121.135 120.300 -0.010 0.000 2.114 540 Y HA -0.225 4.248 4.550 -0.129 0.000 0.284 540 Y C 2.205 177.991 175.900 -0.190 0.000 1.143 540 Y CA 2.132 60.165 58.100 -0.111 0.000 1.135 540 Y CB -0.664 37.779 38.460 -0.028 0.000 0.980 540 Y HN 0.121 nan 8.280 nan 0.000 0.499 541 I N 0.201 120.705 120.570 -0.109 0.000 2.163 541 I HA -0.335 3.789 4.170 -0.077 0.000 0.243 541 I C 2.095 178.010 176.117 -0.338 0.000 1.085 541 I CA 2.047 63.213 61.300 -0.223 0.000 1.347 541 I CB -0.541 37.400 38.000 -0.098 0.000 1.044 541 I HN 0.228 nan 8.210 nan 0.000 0.408 542 D N 0.055 120.271 120.400 -0.306 0.000 2.265 542 D HA -0.191 4.403 4.640 -0.077 0.000 0.208 542 D C 2.087 178.148 176.300 -0.398 0.000 0.977 542 D CA 1.063 54.867 54.000 -0.327 0.000 0.871 542 D CB 0.175 40.822 40.800 -0.254 0.000 0.925 542 D HN 0.251 nan 8.370 nan 0.000 0.485 543 Q N -1.484 118.001 119.800 -0.525 0.000 2.396 543 Q HA 0.100 4.394 4.340 -0.077 0.000 0.209 543 Q C 1.716 177.448 176.000 -0.447 0.000 0.906 543 Q CA 1.091 56.579 55.803 -0.525 0.000 0.927 543 Q CB 0.871 29.202 28.738 -0.679 0.000 1.069 543 Q HN 0.495 nan 8.270 nan 0.000 0.523 544 T N -4.025 110.220 114.554 -0.514 0.000 2.964 544 T HA 0.245 4.549 4.350 -0.077 0.000 0.249 544 T C 1.006 175.517 174.700 -0.315 0.000 1.000 544 T CA -0.219 61.605 62.100 -0.459 0.000 0.992 544 T CB 0.336 68.770 68.868 -0.725 0.000 1.087 544 T HN -0.141 nan 8.240 nan 0.000 0.489 545 S N 2.934 118.444 115.700 -0.317 0.000 2.585 545 S HA 0.505 4.929 4.470 -0.077 0.000 0.277 545 S C 0.234 174.691 174.600 -0.239 0.000 1.241 545 S CA -0.443 57.605 58.200 -0.253 0.000 1.041 545 S CB 0.826 63.853 63.200 -0.289 0.000 0.987 545 S HN 0.583 nan 8.310 nan 0.000 0.512 546 N N 1.870 120.475 118.700 -0.159 0.000 2.714 546 N HA -0.166 4.528 4.740 -0.077 0.000 0.253 546 N C -0.857 174.612 175.510 -0.068 0.000 1.024 546 N CA 0.321 53.323 53.050 -0.079 0.000 0.726 546 N CB -0.772 37.649 38.487 -0.109 0.000 0.908 546 N HN 0.465 nan 8.380 nan 0.000 0.542 547 Q N 0.832 120.584 119.800 -0.079 0.000 2.844 547 Q HA 0.139 4.433 4.340 -0.077 0.000 0.235 547 Q C 0.151 176.119 176.000 -0.053 0.000 1.336 547 Q CA -0.174 55.578 55.803 -0.085 0.000 1.026 547 Q CB -0.615 28.057 28.738 -0.110 0.000 1.513 547 Q HN 0.749 nan 8.270 nan 0.000 0.577 548 N N -0.585 118.101 118.700 -0.023 0.000 2.463 548 N HA 0.298 4.992 4.740 -0.077 0.000 0.270 548 N C -2.104 173.323 175.510 -0.138 0.000 1.205 548 N CA -1.389 51.650 53.050 -0.020 0.000 0.974 548 N CB 0.598 39.143 38.487 0.096 0.000 1.197 548 N HN -0.113 nan 8.380 nan 0.000 0.504 549 P HA 0.005 nan 4.420 nan 0.000 0.237 549 P C -0.280 176.623 177.300 -0.661 0.000 1.178 549 P CA 1.009 63.762 63.100 -0.578 0.000 0.766 549 P CB -0.051 31.144 31.700 -0.843 0.000 0.876 550 Y N -0.875 119.439 120.300 0.022 0.000 2.453 550 Y HA 0.269 4.773 4.550 -0.077 0.000 0.273 550 Y C 0.876 176.796 175.900 0.034 0.000 1.130 550 Y CA 0.214 58.330 58.100 0.026 0.000 1.271 550 Y CB -0.630 37.849 38.460 0.031 0.000 1.253 550 Y HN -0.259 nan 8.280 nan 0.000 0.512 551 Q N 1.831 121.754 119.800 0.205 0.000 2.700 551 Q HA 0.320 4.614 4.340 -0.077 0.000 0.249 551 Q C -2.808 173.248 176.000 0.093 0.000 1.033 551 Q CA -2.246 53.639 55.803 0.137 0.000 0.804 551 Q CB 1.274 30.109 28.738 0.163 0.000 1.164 551 Q HN 0.107 nan 8.270 nan 0.000 0.500 552 P HA 0.448 nan 4.420 nan 0.000 0.274 552 P C 0.369 177.637 177.300 -0.053 0.000 1.231 552 P CA 0.483 63.571 63.100 -0.020 0.000 0.790 552 P CB 1.427 33.087 31.700 -0.068 0.000 0.951 553 G N -0.052 108.683 108.800 -0.108 0.000 2.447 553 G HA2 0.005 3.919 3.960 -0.077 0.000 0.220 553 G HA3 0.005 3.919 3.960 -0.077 0.000 0.220 553 G C -1.639 173.089 174.900 -0.285 0.000 1.261 553 G CA -0.422 44.556 45.100 -0.203 0.000 1.000 553 G HN 0.515 nan 8.290 nan 0.000 0.515 554 V N 1.793 121.486 119.914 -0.368 0.000 2.498 554 V HA 0.538 4.612 4.120 -0.077 0.000 0.283 554 V C -0.611 175.295 176.094 -0.315 0.000 1.015 554 V CA -1.010 60.915 62.300 -0.626 0.000 0.867 554 V CB 1.525 32.812 31.823 -0.893 0.000 1.025 554 V HN 0.724 nan 8.190 nan 0.000 0.441 555 K N 2.024 122.339 120.400 -0.142 0.000 2.203 555 K HA 0.846 5.120 4.320 -0.077 0.000 0.251 555 K C -0.329 176.302 176.600 0.051 0.000 0.944 555 K CA -0.537 55.672 56.287 -0.130 0.000 0.829 555 K CB 2.467 34.731 32.500 -0.394 0.000 1.125 555 K HN 0.623 nan 8.250 nan 0.000 0.430 556 T N -0.915 113.693 114.554 0.091 0.000 2.932 556 T HA 0.462 4.766 4.350 -0.077 0.000 0.318 556 T C -1.035 173.769 174.700 0.174 0.000 1.265 556 T CA 0.210 62.433 62.100 0.206 0.000 1.036 556 T CB 0.863 69.943 68.868 0.354 0.000 1.209 556 T HN 0.680 nan 8.240 nan 0.000 0.484 557 A N 2.025 124.977 122.820 0.220 0.000 2.596 557 A HA -0.167 4.107 4.320 -0.077 0.000 0.300 557 A C 1.313 178.976 177.584 0.133 0.000 1.495 557 A CA 2.014 54.169 52.037 0.197 0.000 0.769 557 A CB -2.538 16.547 19.000 0.143 0.000 1.047 557 A HN 1.565 nan 8.150 nan 0.000 0.436 558 T N -2.954 111.693 114.554 0.154 0.000 3.043 558 T HA 0.054 4.358 4.350 -0.077 0.000 0.263 558 T C 1.610 176.385 174.700 0.125 0.000 1.094 558 T CA 1.119 63.304 62.100 0.142 0.000 1.127 558 T CB 0.004 69.005 68.868 0.222 0.000 0.905 558 T HN 0.693 nan 8.240 nan 0.000 0.490 559 R N 0.430 121.007 120.500 0.128 0.000 2.057 559 R HA 0.126 4.420 4.340 -0.077 0.000 0.224 559 R C 1.800 178.154 176.300 0.089 0.000 1.136 559 R CA 1.141 57.304 56.100 0.104 0.000 0.968 559 R CB 0.046 30.406 30.300 0.100 0.000 0.863 559 R HN 0.340 nan 8.270 nan 0.000 0.433 560 V N -0.288 119.683 119.914 0.095 0.000 2.911 560 V HA 0.043 4.117 4.120 -0.077 0.000 0.237 560 V C 2.048 178.180 176.094 0.063 0.000 1.156 560 V CA 0.410 62.758 62.300 0.080 0.000 1.180 560 V CB 0.064 31.942 31.823 0.090 0.000 0.932 560 V HN 0.198 nan 8.190 nan 0.000 0.483 561 I N 0.368 120.973 120.570 0.057 0.000 2.193 561 I HA -0.153 3.971 4.170 -0.077 0.000 0.240 561 I C 2.577 178.699 176.117 0.007 0.000 1.084 561 I CA 1.434 62.751 61.300 0.028 0.000 1.365 561 I CB -0.308 37.680 38.000 -0.020 0.000 1.064 561 I HN 0.235 nan 8.210 nan 0.000 0.410 562 K N 1.434 121.834 120.400 0.001 0.000 2.009 562 K HA -0.150 4.124 4.320 -0.077 0.000 0.210 562 K C -0.660 175.938 176.600 -0.003 0.000 1.049 562 K CA 1.965 58.239 56.287 -0.022 0.000 0.929 562 K CB -1.517 30.982 32.500 -0.002 0.000 0.714 562 K HN 0.073 nan 8.250 nan 0.000 0.440 563 P HA -0.195 nan 4.420 nan 0.000 0.215 563 P C 1.419 178.744 177.300 0.041 0.000 1.163 563 P CA 1.299 64.423 63.100 0.039 0.000 0.894 563 P CB -0.104 31.628 31.700 0.053 0.000 0.791 564 L N -0.789 120.462 121.223 0.047 0.000 1.971 564 L HA -0.217 4.077 4.340 -0.077 0.000 0.215 564 L C 2.297 179.194 176.870 0.044 0.000 1.072 564 L CA 2.013 56.889 54.840 0.061 0.000 0.758 564 L CB -1.175 40.921 42.059 0.062 0.000 0.889 564 L HN -0.132 nan 8.230 nan 0.000 0.433 565 I N -0.384 120.188 120.570 0.003 0.000 2.127 565 I HA -0.311 3.813 4.170 -0.077 0.000 0.241 565 I C 2.141 178.250 176.117 -0.013 0.000 1.075 565 I CA 1.566 62.836 61.300 -0.051 0.000 1.334 565 I CB -0.688 37.202 38.000 -0.184 0.000 1.040 565 I HN 0.330 nan 8.210 nan 0.000 0.405 566 D N 0.639 121.032 120.400 -0.012 0.000 2.123 566 D HA -0.176 4.418 4.640 -0.077 0.000 0.196 566 D C 2.381 178.743 176.300 0.102 0.000 0.992 566 D CA 1.363 55.387 54.000 0.040 0.000 0.833 566 D CB -0.151 40.662 40.800 0.021 0.000 0.954 566 D HN 0.236 nan 8.370 nan 0.000 0.455 567 R N -0.380 120.157 120.500 0.061 0.000 2.075 567 R HA 0.025 4.319 4.340 -0.077 0.000 0.226 567 R C 2.358 178.658 176.300 -0.001 0.000 1.114 567 R CA 1.327 57.453 56.100 0.043 0.000 0.972 567 R CB -0.389 29.937 30.300 0.043 0.000 0.869 567 R HN 0.090 nan 8.270 nan 0.000 0.437 568 T N 1.074 115.621 114.554 -0.011 0.000 2.759 568 T HA -0.206 4.098 4.350 -0.077 0.000 0.269 568 T C 1.380 176.039 174.700 -0.068 0.000 1.042 568 T CA 1.559 63.592 62.100 -0.113 0.000 1.140 568 T CB -0.340 68.512 68.868 -0.027 0.000 0.864 568 T HN 0.208 nan 8.240 nan 0.000 0.455 569 F N 2.436 122.320 119.950 -0.109 0.000 2.084 569 F HA 0.077 4.561 4.527 -0.072 0.000 0.296 569 F C 2.488 178.262 175.800 -0.043 0.000 1.111 569 F CA 1.037 58.986 58.000 -0.084 0.000 1.224 569 F CB -0.802 38.135 39.000 -0.105 0.000 0.991 569 F HN 0.134 nan 8.300 nan 0.000 0.471 570 A N -0.558 122.171 122.820 -0.151 0.000 2.076 570 A HA -0.146 4.128 4.320 -0.077 0.000 0.220 570 A C 2.086 179.536 177.584 -0.223 0.000 1.160 570 A CA 2.188 54.092 52.037 -0.221 0.000 0.653 570 A CB -1.336 17.654 19.000 -0.017 0.000 0.801 570 A HN 0.531 nan 8.150 nan 0.000 0.455 571 T N -0.488 113.920 114.554 -0.243 0.000 2.755 571 T HA -0.058 4.246 4.350 -0.077 0.000 0.251 571 T C 2.064 176.426 174.700 -0.563 0.000 1.044 571 T CA 1.770 63.638 62.100 -0.387 0.000 1.154 571 T CB -0.731 67.924 68.868 -0.355 0.000 0.866 571 T HN 0.586 nan 8.240 nan 0.000 0.416 572 V N 0.778 120.494 119.914 -0.330 0.000 2.453 572 V HA -0.120 3.954 4.120 -0.077 0.000 0.252 572 V C 2.391 178.587 176.094 0.170 0.000 1.068 572 V CA 1.369 63.659 62.300 -0.016 0.000 1.070 572 V CB -1.489 30.483 31.823 0.250 0.000 0.664 572 V HN 0.280 nan 8.190 nan 0.000 0.461 573 V N 0.123 120.040 119.914 0.004 0.000 2.358 573 V HA -0.226 3.848 4.120 -0.077 0.000 0.246 573 V C 2.742 178.899 176.094 0.105 0.000 1.047 573 V CA 2.608 64.932 62.300 0.040 0.000 1.035 573 V CB -0.675 30.976 31.823 -0.288 0.000 0.658 573 V HN 0.566 nan 8.190 nan 0.000 0.452 574 K N -0.840 119.578 120.400 0.030 0.000 2.103 574 K HA -0.095 4.179 4.320 -0.077 0.000 0.204 574 K C 1.976 178.777 176.600 0.334 0.000 1.052 574 K CA 1.249 57.617 56.287 0.134 0.000 0.945 574 K CB -0.160 32.396 32.500 0.093 0.000 0.722 574 K HN 0.311 nan 8.250 nan 0.000 0.443 575 F N -0.122 119.907 119.950 0.131 0.000 2.171 575 F HA -0.146 4.336 4.527 -0.075 0.000 0.300 575 F C 2.036 177.908 175.800 0.119 0.000 1.090 575 F CA 0.688 58.761 58.000 0.122 0.000 1.293 575 F CB -1.022 38.077 39.000 0.165 0.000 1.013 575 F HN 0.025 nan 8.300 nan 0.000 0.486 576 F N 1.349 121.399 119.950 0.167 0.000 2.186 576 F HA -0.142 4.340 4.527 -0.075 0.000 0.299 576 F C 1.849 177.700 175.800 0.085 0.000 1.090 576 F CA 1.162 59.172 58.000 0.016 0.000 1.307 576 F CB -0.431 38.346 39.000 -0.373 0.000 1.019 576 F HN -0.175 nan 8.300 nan 0.000 0.489 577 N N 0.631 119.492 118.700 0.269 0.000 2.627 577 N HA -0.077 4.617 4.740 -0.077 0.000 0.196 577 N C 0.703 176.258 175.510 0.076 0.000 1.268 577 N CA 0.767 53.912 53.050 0.159 0.000 0.904 577 N CB -0.085 38.479 38.487 0.127 0.000 1.016 577 N HN 0.600 nan 8.380 nan 0.000 0.448 578 Q N -1.821 118.005 119.800 0.044 0.000 2.063 578 Q HA 0.153 4.447 4.340 -0.077 0.000 0.234 578 Q C 1.316 177.261 176.000 -0.092 0.000 0.748 578 Q CA -0.065 55.734 55.803 -0.007 0.000 0.915 578 Q CB 0.653 29.404 28.738 0.023 0.000 1.188 578 Q HN 0.095 nan 8.270 nan 0.000 0.456 579 K N 0.271 120.593 120.400 -0.131 0.000 2.137 579 K HA 0.073 4.347 4.320 -0.077 0.000 0.202 579 K C 0.478 176.733 176.600 -0.576 0.000 1.052 579 K CA 1.007 57.095 56.287 -0.332 0.000 0.961 579 K CB 0.324 32.632 32.500 -0.320 0.000 0.741 579 K HN 0.032 nan 8.250 nan 0.000 0.452 580 F N 1.028 120.710 119.950 -0.448 0.000 2.668 580 F HA 0.254 4.736 4.527 -0.075 0.000 0.301 580 F C -0.037 175.612 175.800 -0.252 0.000 1.106 580 F CA -0.555 57.184 58.000 -0.435 0.000 1.289 580 F CB 0.102 38.625 39.000 -0.795 0.000 1.006 580 F HN 0.047 nan 8.300 nan 0.000 0.535 581 N N 1.826 120.499 118.700 -0.044 0.000 2.689 581 N HA -0.210 4.484 4.740 -0.077 0.000 0.263 581 N C -0.051 175.515 175.510 0.092 0.000 0.987 581 N CA 0.294 53.356 53.050 0.019 0.000 0.782 581 N CB -0.321 38.169 38.487 0.005 0.000 0.903 581 N HN 0.387 nan 8.380 nan 0.000 0.547 582 A N 0.606 123.499 122.820 0.122 0.000 2.298 582 A HA 0.524 4.798 4.320 -0.077 0.000 0.302 582 A C 0.280 178.040 177.584 0.295 0.000 1.177 582 A CA -0.190 51.969 52.037 0.204 0.000 0.912 582 A CB 0.552 19.700 19.000 0.246 0.000 1.331 582 A HN 0.594 nan 8.150 nan 0.000 0.504 583 H N -0.726 118.385 119.070 0.068 0.000 2.575 583 H HA 0.372 4.882 4.556 -0.077 0.000 0.256 583 H C -0.485 174.871 175.328 0.046 0.000 1.162 583 H CA -0.294 55.786 56.048 0.053 0.000 0.969 583 H CB -0.107 29.681 29.762 0.044 0.000 1.796 583 H HN 0.375 nan 8.280 nan 0.000 0.607 584 L N 0.974 122.253 121.223 0.092 0.000 2.525 584 L HA -0.027 4.267 4.340 -0.077 0.000 0.278 584 L C 0.497 177.413 176.870 0.078 0.000 1.218 584 L CA 0.260 55.094 54.840 -0.010 0.000 0.878 584 L CB 0.379 42.300 42.059 -0.229 0.000 1.127 584 L HN 0.278 nan 8.230 nan 0.000 0.492 585 D N 2.305 122.821 120.400 0.194 0.000 2.358 585 D HA 0.194 4.788 4.640 -0.077 0.000 0.258 585 D C 0.487 176.946 176.300 0.265 0.000 1.223 585 D CA 0.081 54.206 54.000 0.209 0.000 0.886 585 D CB 1.640 42.572 40.800 0.220 0.000 1.120 585 D HN 0.563 nan 8.370 nan 0.000 0.482 586 A N 3.163 126.059 122.820 0.127 0.000 2.308 586 A HA 0.121 4.395 4.320 -0.077 0.000 0.217 586 A C 1.065 178.761 177.584 0.187 0.000 1.216 586 A CA 0.177 52.226 52.037 0.019 0.000 0.864 586 A CB -0.409 18.551 19.000 -0.067 0.000 0.902 586 A HN 0.589 nan 8.150 nan 0.000 0.499 587 T N -2.276 112.400 114.554 0.203 0.000 2.860 587 T HA 0.328 4.632 4.350 -0.077 0.000 0.299 587 T C 0.893 175.714 174.700 0.201 0.000 1.045 587 T CA 0.652 62.851 62.100 0.165 0.000 1.071 587 T CB 1.087 70.005 68.868 0.083 0.000 0.985 587 T HN 0.389 nan 8.240 nan 0.000 0.537 588 T N -2.545 112.070 114.554 0.102 0.000 3.003 588 T HA 0.261 4.565 4.350 -0.077 0.000 0.261 588 T C 0.101 174.773 174.700 -0.047 0.000 1.003 588 T CA -0.410 61.689 62.100 -0.001 0.000 0.917 588 T CB 0.203 69.083 68.868 0.020 0.000 1.084 588 T HN 0.570 nan 8.240 nan 0.000 0.522 589 D N 0.000 120.388 120.400 -0.020 0.000 6.856 589 D HA 0.000 4.594 4.640 -0.077 0.000 0.175 589 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 589 D CB 0.000 40.802 40.800 0.004 0.000 0.688 589 D HN 0.000 nan 8.370 nan 0.000 0.683