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 2vvn_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 LDATTDYMPH KMXXXXXXXX DATA SEQUENCE XLPLQVKANR VLISPXXXXX XXXXXXXVEI ELDAIYPGEN IQINFXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXRLSAG LQKAPVKFVR FXXXXXXXXX DATA SEQUENCE XXXXQFVLTI EK 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 0.000 174.602 174.600 0.003 0.000 1.055 4 S CA 0.000 58.207 58.200 0.012 0.000 1.107 4 S CB 0.000 63.224 63.200 0.040 0.000 0.593 5 L N 4.333 125.542 121.223 -0.023 0.000 2.559 5 L HA 0.357 4.863 4.340 0.277 0.000 0.274 5 L C 0.282 177.108 176.870 -0.074 0.000 1.205 5 L CA 1.370 56.176 54.840 -0.056 0.000 0.907 5 L CB 0.331 42.355 42.059 -0.059 0.000 1.153 5 L HN 0.615 nan 8.230 nan 0.000 0.490 6 Q N 5.264 124.982 119.800 -0.137 0.000 2.292 6 Q HA 0.434 4.940 4.340 0.277 0.000 0.270 6 Q C -2.338 173.423 176.000 -0.398 0.000 1.024 6 Q CA -1.890 53.775 55.803 -0.230 0.000 0.768 6 Q CB 2.051 30.642 28.738 -0.244 0.000 1.250 6 Q HN 0.339 nan 8.270 nan 0.000 0.447 7 P HA 0.109 nan 4.420 nan 0.000 0.269 7 P C -2.419 174.756 177.300 -0.209 0.000 1.215 7 P CA -0.959 61.962 63.100 -0.299 0.000 0.780 7 P CB -0.054 31.411 31.700 -0.393 0.000 0.898 8 P HA 0.134 nan 4.420 nan 0.000 0.271 8 P C -2.497 174.814 177.300 0.018 0.000 1.216 8 P CA -1.477 61.610 63.100 -0.023 0.000 0.771 8 P CB -0.506 31.201 31.700 0.012 0.000 0.864 9 P HA 0.085 nan 4.420 nan 0.000 0.274 9 P C 1.002 178.285 177.300 -0.029 0.000 1.237 9 P CA -0.082 63.043 63.100 0.041 0.000 0.793 9 P CB 0.810 32.525 31.700 0.024 0.000 0.977 10 Q N 0.120 119.837 119.800 -0.138 0.000 2.084 10 Q HA -0.157 4.349 4.340 0.277 0.000 0.202 10 Q C 0.933 176.855 176.000 -0.130 0.000 0.978 10 Q CA 1.710 57.351 55.803 -0.270 0.000 0.844 10 Q CB 0.013 28.333 28.738 -0.696 0.000 0.898 10 Q HN 0.634 nan 8.270 nan 0.000 0.426 11 Q N -0.372 119.381 119.800 -0.078 0.000 2.289 11 Q HA 0.537 5.043 4.340 0.277 0.000 0.270 11 Q C -2.006 173.996 176.000 0.002 0.000 1.038 11 Q CA -0.574 55.218 55.803 -0.017 0.000 0.812 11 Q CB 1.704 30.452 28.738 0.018 0.000 1.300 11 Q HN 0.078 nan 8.270 nan 0.000 0.427 12 L N 4.714 125.943 121.223 0.009 0.000 2.470 12 L HA 0.658 5.164 4.340 0.277 0.000 0.268 12 L C -2.113 174.769 176.870 0.019 0.000 0.964 12 L CA -0.364 54.484 54.840 0.014 0.000 0.839 12 L CB 2.021 44.083 42.059 0.005 0.000 1.276 12 L HN 0.811 nan 8.230 nan 0.000 0.403 13 I N 5.891 126.476 120.570 0.025 0.000 2.410 13 I HA 0.505 4.841 4.170 0.277 0.000 0.286 13 I C -0.820 175.308 176.117 0.018 0.000 1.009 13 I CA -0.927 60.388 61.300 0.026 0.000 1.111 13 I CB 1.900 39.924 38.000 0.041 0.000 1.262 13 I HN 0.282 nan 8.210 nan 0.000 0.443 14 V N 5.617 125.538 119.914 0.012 0.000 2.435 14 V HA 0.357 4.643 4.120 0.277 0.000 0.290 14 V C -0.104 175.995 176.094 0.009 0.000 1.030 14 V CA -0.807 61.496 62.300 0.006 0.000 0.881 14 V CB 1.557 33.380 31.823 -0.000 0.000 0.983 14 V HN 0.597 nan 8.190 nan 0.000 0.445 15 Q N 2.630 122.435 119.800 0.009 0.000 2.241 15 Q HA 0.361 4.867 4.340 0.277 0.000 0.254 15 Q C -0.345 175.657 176.000 0.004 0.000 0.917 15 Q CA -0.625 55.184 55.803 0.010 0.000 0.919 15 Q CB 0.896 29.643 28.738 0.014 0.000 1.237 15 Q HN 0.567 nan 8.270 nan 0.000 0.434 16 N N 2.353 121.055 118.700 0.004 0.000 3.167 16 N HA 0.044 4.950 4.740 0.277 0.000 0.318 16 N C -0.859 174.651 175.510 0.001 0.000 1.268 16 N CA 0.346 53.397 53.050 0.001 0.000 1.197 16 N CB 0.090 38.578 38.487 0.001 0.000 1.464 16 N HN 0.255 nan 8.380 nan 0.000 0.555 17 K N -0.673 119.727 120.400 -0.000 0.000 2.501 17 K HA 0.399 4.885 4.320 0.277 0.000 0.252 17 K C -0.521 176.076 176.600 -0.005 0.000 0.934 17 K CA -0.830 55.457 56.287 0.000 0.000 0.797 17 K CB 1.903 34.406 32.500 0.006 0.000 1.270 17 K HN 0.109 nan 8.250 nan 0.000 0.431 18 T N -0.677 113.873 114.554 -0.008 0.000 2.912 18 T HA 0.759 5.275 4.350 0.277 0.000 0.288 18 T C -0.000 174.694 174.700 -0.009 0.000 1.030 18 T CA -0.907 61.185 62.100 -0.015 0.000 1.020 18 T CB 0.811 69.665 68.868 -0.024 0.000 1.056 18 T HN 0.573 nan 8.240 nan 0.000 0.480 19 I N -1.562 119.002 120.570 -0.010 0.000 2.910 19 I HA 0.668 5.004 4.170 0.277 0.000 0.310 19 I C -0.817 175.295 176.117 -0.008 0.000 1.043 19 I CA -1.068 60.232 61.300 -0.001 0.000 1.053 19 I CB 1.703 39.710 38.000 0.011 0.000 1.242 19 I HN 0.453 nan 8.210 nan 0.000 0.452 20 D N 2.925 123.326 120.400 0.001 0.000 2.304 20 D HA 0.219 5.025 4.640 0.277 0.000 0.247 20 D C -0.416 175.888 176.300 0.007 0.000 1.089 20 D CA -0.182 53.818 54.000 -0.002 0.000 0.910 20 D CB 2.135 42.939 40.800 0.007 0.000 1.199 20 D HN 0.497 nan 8.370 nan 0.000 0.426 21 L N 4.554 125.774 121.223 -0.004 0.000 2.597 21 L HA 0.106 4.612 4.340 0.277 0.000 0.271 21 L C -1.988 174.903 176.870 0.036 0.000 1.157 21 L CA -0.789 54.058 54.840 0.011 0.000 0.928 21 L CB 0.051 42.101 42.059 -0.016 0.000 1.216 21 L HN 0.117 nan 8.230 nan 0.000 0.481 22 P HA -0.098 nan 4.420 nan 0.000 0.253 22 P C 0.434 177.821 177.300 0.144 0.000 1.170 22 P CA 0.515 63.674 63.100 0.100 0.000 0.806 22 P CB 0.573 32.353 31.700 0.133 0.000 0.775 23 A N 4.433 127.321 122.820 0.113 0.000 1.948 23 A HA -0.107 4.379 4.320 0.277 0.000 0.220 23 A C 1.095 178.772 177.584 0.155 0.000 1.177 23 A CA 1.652 53.759 52.037 0.116 0.000 0.636 23 A CB -0.396 18.644 19.000 0.068 0.000 0.815 23 A HN 0.496 nan 8.150 nan 0.000 0.449 24 V N -0.341 119.656 119.914 0.139 0.000 2.588 24 V HA 0.681 4.967 4.120 0.277 0.000 0.304 24 V C -1.346 174.831 176.094 0.138 0.000 1.042 24 V CA -0.960 61.391 62.300 0.085 0.000 0.877 24 V CB 1.636 33.468 31.823 0.016 0.000 0.996 24 V HN 0.721 nan 8.190 nan 0.000 0.425 25 Y N 2.814 123.121 120.300 0.013 0.000 2.544 25 Y HA 0.660 5.377 4.550 0.278 0.000 0.342 25 Y C -0.871 175.034 175.900 0.009 0.000 1.062 25 Y CA -1.051 57.056 58.100 0.012 0.000 1.023 25 Y CB 1.734 40.202 38.460 0.013 0.000 1.308 25 Y HN 0.657 nan 8.280 nan 0.000 0.457 26 Q N 4.087 123.956 119.800 0.114 0.000 2.347 26 Q HA 0.423 4.929 4.340 0.277 0.000 0.262 26 Q C -1.621 174.487 176.000 0.179 0.000 0.980 26 Q CA -0.717 55.123 55.803 0.062 0.000 0.867 26 Q CB 1.291 30.050 28.738 0.036 0.000 1.242 26 Q HN 0.968 nan 8.270 nan 0.000 0.453 27 L N 4.579 125.927 121.223 0.208 0.000 2.305 27 L HA 0.372 4.878 4.340 0.277 0.000 0.281 27 L C -0.930 175.993 176.870 0.088 0.000 1.085 27 L CA -0.090 54.858 54.840 0.181 0.000 0.813 27 L CB 0.906 43.102 42.059 0.230 0.000 1.157 27 L HN 0.733 nan 8.230 nan 0.000 0.436 28 N N 2.313 121.052 118.700 0.066 0.000 2.399 28 N HA 0.535 5.441 4.740 0.277 0.000 0.280 28 N C 0.238 175.773 175.510 0.042 0.000 1.008 28 N CA 0.547 53.629 53.050 0.053 0.000 0.894 28 N CB 1.456 39.981 38.487 0.064 0.000 1.273 28 N HN 0.760 nan 8.380 nan 0.000 0.486 29 G N 1.586 110.407 108.800 0.035 0.000 2.163 29 G HA2 -0.215 3.911 3.960 0.277 0.000 0.213 29 G HA3 -0.215 3.911 3.960 0.277 0.000 0.213 29 G C 0.989 175.899 174.900 0.017 0.000 0.991 29 G CA 0.114 45.231 45.100 0.027 0.000 0.653 29 G HN 0.792 nan 8.290 nan 0.000 0.518 30 G N 0.162 108.974 108.800 0.020 0.000 2.450 30 G HA2 -0.066 4.060 3.960 0.277 0.000 0.220 30 G HA3 -0.066 4.060 3.960 0.277 0.000 0.220 30 G C 1.305 176.211 174.900 0.010 0.000 1.130 30 G CA 1.573 46.683 45.100 0.016 0.000 0.760 30 G HN 0.479 nan 8.290 nan 0.000 0.557 31 E N 0.520 120.726 120.200 0.011 0.000 2.371 31 E HA -0.006 4.510 4.350 0.277 0.000 0.194 31 E C 2.193 178.793 176.600 -0.000 0.000 1.012 31 E CA 0.938 57.341 56.400 0.005 0.000 0.860 31 E CB 0.143 29.847 29.700 0.007 0.000 0.811 31 E HN 0.867 nan 8.360 nan 0.000 0.502 32 E N -0.534 119.668 120.200 0.002 0.000 2.514 32 E HA 0.368 4.885 4.350 0.277 0.000 0.215 32 E C 0.623 177.221 176.600 -0.003 0.000 0.946 32 E CA -0.058 56.342 56.400 0.000 0.000 1.038 32 E CB 0.545 30.249 29.700 0.007 0.000 1.069 32 E HN -0.006 nan 8.360 nan 0.000 0.503 33 A N 1.859 124.677 122.820 -0.004 0.000 2.287 33 A HA 0.211 4.697 4.320 0.277 0.000 0.273 33 A C 0.161 177.729 177.584 -0.027 0.000 1.091 33 A CA -0.617 51.416 52.037 -0.008 0.000 0.817 33 A CB 0.237 19.233 19.000 -0.005 0.000 1.069 33 A HN 0.152 nan 8.150 nan 0.000 0.492 34 N N 0.973 119.654 118.700 -0.031 0.000 2.256 34 N HA -0.023 4.883 4.740 0.277 0.000 0.277 34 N C -1.782 173.687 175.510 -0.069 0.000 1.362 34 N CA -1.040 51.967 53.050 -0.071 0.000 0.861 34 N CB 0.508 38.980 38.487 -0.026 0.000 1.136 34 N HN 0.182 nan 8.380 nan 0.000 0.492 35 P HA -0.131 nan 4.420 nan 0.000 0.218 35 P C 0.470 177.784 177.300 0.023 0.000 1.148 35 P CA 1.496 64.549 63.100 -0.079 0.000 0.822 35 P CB 0.032 31.656 31.700 -0.126 0.000 0.784 36 H N -0.864 118.236 119.070 0.049 0.000 2.389 36 H HA 0.005 4.728 4.556 0.279 0.000 0.299 36 H C 2.036 177.511 175.328 0.245 0.000 1.081 36 H CA 0.802 56.919 56.048 0.115 0.000 1.345 36 H CB -0.330 29.429 29.762 -0.005 0.000 1.393 36 H HN 0.092 nan 8.280 nan 0.000 0.520 37 A N 0.741 123.748 122.820 0.311 0.000 1.930 37 A HA -0.102 4.384 4.320 0.277 0.000 0.217 37 A C 2.526 180.140 177.584 0.050 0.000 1.175 37 A CA 1.295 53.431 52.037 0.165 0.000 0.627 37 A CB -0.623 18.428 19.000 0.084 0.000 0.815 37 A HN 0.211 nan 8.150 nan 0.000 0.443 38 V N 0.127 120.067 119.914 0.044 0.000 2.427 38 V HA -0.231 4.055 4.120 0.277 0.000 0.248 38 V C 2.466 178.576 176.094 0.027 0.000 1.051 38 V CA 2.265 64.573 62.300 0.012 0.000 1.048 38 V CB -0.675 31.154 31.823 0.009 0.000 0.666 38 V HN 0.679 nan 8.190 nan 0.000 0.456 39 K N 0.307 120.745 120.400 0.064 0.000 2.032 39 K HA -0.180 4.306 4.320 0.277 0.000 0.209 39 K C 2.016 178.643 176.600 0.044 0.000 1.048 39 K CA 1.846 58.173 56.287 0.066 0.000 0.927 39 K CB -0.322 32.242 32.500 0.107 0.000 0.712 39 K HN 0.298 nan 8.250 nan 0.000 0.441 40 V N 1.268 121.208 119.914 0.043 0.000 2.287 40 V HA -0.256 4.030 4.120 0.277 0.000 0.248 40 V C 2.282 178.368 176.094 -0.014 0.000 1.053 40 V CA 1.767 64.066 62.300 -0.002 0.000 1.027 40 V CB -0.565 31.218 31.823 -0.067 0.000 0.646 40 V HN 0.370 nan 8.190 nan 0.000 0.447 41 L N 0.138 121.339 121.223 -0.038 0.000 2.017 41 L HA -0.163 4.343 4.340 0.277 0.000 0.208 41 L C 2.346 179.184 176.870 -0.054 0.000 1.073 41 L CA 1.994 56.793 54.840 -0.069 0.000 0.745 41 L CB -0.706 41.270 42.059 -0.139 0.000 0.894 41 L HN 0.202 nan 8.230 nan 0.000 0.432 42 K N -0.749 119.636 120.400 -0.025 0.000 2.283 42 K HA -0.124 4.362 4.320 0.277 0.000 0.202 42 K C 1.890 178.494 176.600 0.008 0.000 1.048 42 K CA 1.174 57.461 56.287 -0.002 0.000 0.948 42 K CB 0.021 32.538 32.500 0.029 0.000 0.742 42 K HN 0.486 nan 8.250 nan 0.000 0.458 43 E N 0.506 120.709 120.200 0.006 0.000 2.112 43 E HA -0.073 4.443 4.350 0.277 0.000 0.190 43 E C 1.830 178.430 176.600 0.000 0.000 0.979 43 E CA 0.573 56.977 56.400 0.007 0.000 0.814 43 E CB 0.119 29.824 29.700 0.007 0.000 0.762 43 E HN 0.197 nan 8.360 nan 0.000 0.460 44 L N 0.292 121.516 121.223 0.001 0.000 2.093 44 L HA -0.152 4.354 4.340 0.277 0.000 0.208 44 L C 1.558 178.420 176.870 -0.012 0.000 1.085 44 L CA 0.506 55.349 54.840 0.006 0.000 0.755 44 L CB -0.050 42.052 42.059 0.071 0.000 0.904 44 L HN 0.162 nan 8.230 nan 0.000 0.435 45 L N -0.624 120.573 121.223 -0.043 0.000 2.629 45 L HA 0.148 4.654 4.340 0.277 0.000 0.230 45 L C 1.145 178.024 176.870 0.015 0.000 1.151 45 L CA 0.434 55.222 54.840 -0.087 0.000 0.924 45 L CB -0.644 41.228 42.059 -0.311 0.000 1.137 45 L HN -0.012 nan 8.230 nan 0.000 0.457 46 S N -0.502 115.211 115.700 0.020 0.000 2.558 46 S HA 0.329 4.965 4.470 0.277 0.000 0.288 46 S C 1.521 176.147 174.600 0.043 0.000 1.318 46 S CA 0.835 59.057 58.200 0.037 0.000 1.056 46 S CB 0.309 63.521 63.200 0.020 0.000 0.853 46 S HN 0.744 nan 8.310 nan 0.000 0.505 47 G N 3.901 112.731 108.800 0.051 0.000 2.284 47 G HA2 -0.207 3.919 3.960 0.277 0.000 0.247 47 G HA3 -0.207 3.919 3.960 0.277 0.000 0.247 47 G C 0.073 175.015 174.900 0.070 0.000 1.012 47 G CA 0.499 45.627 45.100 0.047 0.000 0.618 47 G HN 0.665 nan 8.290 nan 0.000 0.521 48 K N 0.592 121.062 120.400 0.116 0.000 2.209 48 K HA 0.753 5.239 4.320 0.277 0.000 0.238 48 K C 0.370 177.090 176.600 0.201 0.000 1.028 48 K CA -0.292 56.106 56.287 0.185 0.000 0.935 48 K CB 0.821 33.495 32.500 0.289 0.000 1.162 48 K HN 0.667 nan 8.250 nan 0.000 0.485 49 Q N -1.732 118.146 119.800 0.130 0.000 2.418 49 Q HA 0.493 4.999 4.340 0.277 0.000 0.282 49 Q C -0.802 174.911 176.000 -0.477 0.000 1.044 49 Q CA -0.896 54.867 55.803 -0.067 0.000 0.813 49 Q CB 1.360 30.069 28.738 -0.048 0.000 1.428 49 Q HN 0.535 nan 8.270 nan 0.000 0.402 50 S N 0.479 115.829 115.700 -0.583 0.000 2.687 50 S HA 0.963 5.599 4.470 0.277 0.000 0.283 50 S C -0.153 174.234 174.600 -0.355 0.000 1.170 50 S CA 0.280 58.005 58.200 -0.792 0.000 1.008 50 S CB 1.011 63.833 63.200 -0.631 0.000 1.026 50 S HN 1.280 nan 8.310 nan 0.000 0.541 51 S N 0.512 116.042 115.700 -0.283 0.000 2.703 51 S HA 0.503 5.139 4.470 0.277 0.000 0.273 51 S C -0.194 174.348 174.600 -0.096 0.000 1.178 51 S CA -0.875 57.237 58.200 -0.146 0.000 0.838 51 S CB 0.911 64.039 63.200 -0.119 0.000 1.178 51 S HN 0.585 nan 8.310 nan 0.000 0.494 52 K N 0.692 121.058 120.400 -0.057 0.000 2.426 52 K HA 0.346 4.832 4.320 0.277 0.000 0.193 52 K C 0.174 176.762 176.600 -0.021 0.000 1.028 52 K CA 0.630 56.899 56.287 -0.030 0.000 1.047 52 K CB -0.440 32.049 32.500 -0.019 0.000 0.821 52 K HN 0.525 nan 8.250 nan 0.000 0.513 53 K N -0.940 119.441 120.400 -0.032 0.000 2.488 53 K HA 0.568 5.054 4.320 0.277 0.000 0.255 53 K C 0.147 176.738 176.600 -0.013 0.000 1.036 53 K CA -0.233 56.042 56.287 -0.019 0.000 0.990 53 K CB 0.291 32.778 32.500 -0.022 0.000 1.304 53 K HN 0.129 nan 8.250 nan 0.000 0.505 54 G N 0.291 109.096 108.800 0.008 0.000 2.795 54 G HA2 -0.271 3.855 3.960 0.277 0.000 0.664 54 G HA3 -0.271 3.855 3.960 0.277 0.000 0.664 54 G C -0.431 174.507 174.900 0.063 0.000 1.381 54 G CA -0.678 44.443 45.100 0.034 0.000 0.853 54 G HN 0.522 nan 8.290 nan 0.000 0.545 55 M N 0.005 119.662 119.600 0.095 0.000 2.260 55 M HA 0.208 4.854 4.480 0.277 0.000 0.348 55 M C 0.687 177.053 176.300 0.110 0.000 1.342 55 M CA -0.379 54.979 55.300 0.097 0.000 1.040 55 M CB 0.261 32.923 32.600 0.102 0.000 1.810 55 M HN 0.708 nan 8.290 nan 0.000 0.453 56 L N 7.077 128.351 121.223 0.085 0.000 2.410 56 L HA 0.336 4.842 4.340 0.277 0.000 0.273 56 L C -0.953 175.957 176.870 0.066 0.000 1.144 56 L CA 0.647 55.538 54.840 0.085 0.000 0.863 56 L CB 0.210 42.320 42.059 0.084 0.000 1.140 56 L HN 0.513 nan 8.230 nan 0.000 0.463 57 I N 4.504 125.112 120.570 0.063 0.000 2.418 57 I HA 0.322 4.658 4.170 0.277 0.000 0.287 57 I C -0.397 175.715 176.117 -0.010 0.000 1.008 57 I CA -0.365 60.926 61.300 -0.015 0.000 1.104 57 I CB 1.556 39.514 38.000 -0.070 0.000 1.264 57 I HN 0.529 nan 8.210 nan 0.000 0.438 58 S N 7.216 122.893 115.700 -0.038 0.000 2.456 58 S HA 0.620 5.256 4.470 0.277 0.000 0.316 58 S C -0.520 174.051 174.600 -0.048 0.000 1.089 58 S CA -0.495 57.708 58.200 0.005 0.000 1.101 58 S CB 1.714 64.973 63.200 0.098 0.000 0.995 58 S HN 0.511 nan 8.310 nan 0.000 0.468 59 I N 2.642 123.197 120.570 -0.025 0.000 2.545 59 I HA 0.832 5.168 4.170 0.277 0.000 0.292 59 I C -0.089 176.032 176.117 0.006 0.000 1.040 59 I CA 0.085 61.359 61.300 -0.043 0.000 1.068 59 I CB 1.532 39.484 38.000 -0.079 0.000 1.251 59 I HN 0.805 nan 8.210 nan 0.000 0.424 60 G N 5.128 113.940 108.800 0.021 0.000 2.313 60 G HA2 0.288 4.414 3.960 0.277 0.000 0.296 60 G HA3 0.288 4.414 3.960 0.277 0.000 0.296 60 G C -2.055 172.880 174.900 0.058 0.000 1.356 60 G CA -0.772 44.351 45.100 0.039 0.000 0.833 60 G HN 0.510 nan 8.290 nan 0.000 0.552 61 E N 0.451 120.684 120.200 0.054 0.000 2.222 61 E HA 0.485 5.001 4.350 0.277 0.000 0.272 61 E C 0.241 176.883 176.600 0.070 0.000 0.982 61 E CA -0.828 55.611 56.400 0.065 0.000 0.842 61 E CB 1.532 31.259 29.700 0.045 0.000 1.144 61 E HN 0.586 nan 8.360 nan 0.000 0.397 62 K N 0.952 121.400 120.400 0.079 0.000 2.511 62 K HA -0.025 4.461 4.320 0.277 0.000 0.277 62 K C 0.716 177.342 176.600 0.043 0.000 1.025 62 K CA 1.414 57.740 56.287 0.065 0.000 1.112 62 K CB -0.310 32.226 32.500 0.059 0.000 0.859 62 K HN 0.731 nan 8.250 nan 0.000 0.485 63 G N 3.379 112.201 108.800 0.036 0.000 2.284 63 G HA2 -0.205 3.921 3.960 0.277 0.000 0.216 63 G HA3 -0.205 3.921 3.960 0.277 0.000 0.216 63 G C -0.366 174.548 174.900 0.024 0.000 1.009 63 G CA 0.016 45.129 45.100 0.023 0.000 0.625 63 G HN 0.698 nan 8.290 nan 0.000 0.501 64 D N 0.998 121.418 120.400 0.033 0.000 2.399 64 D HA 0.375 5.181 4.640 0.277 0.000 0.241 64 D C 1.543 177.865 176.300 0.036 0.000 1.133 64 D CA 0.010 54.030 54.000 0.033 0.000 0.890 64 D CB 0.883 41.707 40.800 0.040 0.000 1.201 64 D HN 0.368 nan 8.370 nan 0.000 0.432 65 K N 0.542 120.958 120.400 0.028 0.000 2.097 65 K HA -0.141 4.345 4.320 0.277 0.000 0.206 65 K C 1.989 178.613 176.600 0.040 0.000 1.049 65 K CA 1.205 57.507 56.287 0.024 0.000 0.933 65 K CB -0.068 32.442 32.500 0.018 0.000 0.717 65 K HN 0.427 nan 8.250 nan 0.000 0.442 66 S N 0.905 116.638 115.700 0.055 0.000 2.400 66 S HA -0.119 4.517 4.470 0.277 0.000 0.232 66 S C 1.806 176.493 174.600 0.145 0.000 1.025 66 S CA 1.378 59.628 58.200 0.084 0.000 0.993 66 S CB -0.529 62.714 63.200 0.072 0.000 0.808 66 S HN 0.208 nan 8.310 nan 0.000 0.478 67 V N -2.149 117.855 119.914 0.149 0.000 3.085 67 V HA 0.479 4.765 4.120 0.277 0.000 0.345 67 V C 1.571 177.750 176.094 0.142 0.000 1.397 67 V CA -0.605 61.855 62.300 0.266 0.000 1.165 67 V CB -0.558 31.418 31.823 0.255 0.000 1.153 67 V HN 0.219 nan 8.190 nan 0.000 0.495 68 R N 0.953 121.468 120.500 0.025 0.000 2.096 68 R HA -0.078 4.428 4.340 0.277 0.000 0.235 68 R C 2.185 178.396 176.300 -0.148 0.000 1.127 68 R CA 1.835 57.909 56.100 -0.043 0.000 0.968 68 R CB -0.240 30.036 30.300 -0.041 0.000 0.861 68 R HN 0.553 nan 8.270 nan 0.000 0.440 69 K N 0.130 120.339 120.400 -0.318 0.000 2.209 69 K HA -0.157 4.329 4.320 0.277 0.000 0.204 69 K C 0.606 176.828 176.600 -0.630 0.000 1.048 69 K CA 1.329 57.282 56.287 -0.557 0.000 0.940 69 K CB 0.135 32.132 32.500 -0.837 0.000 0.729 69 K HN 0.225 nan 8.250 nan 0.000 0.451 70 Y N -0.248 120.040 120.300 -0.020 0.000 2.507 70 Y HA 0.113 4.829 4.550 0.277 0.000 0.254 70 Y C 2.025 177.857 175.900 -0.113 0.000 1.171 70 Y CA 0.090 58.137 58.100 -0.088 0.000 1.238 70 Y CB 0.070 38.528 38.460 -0.004 0.000 1.148 70 Y HN 0.098 nan 8.280 nan 0.000 0.525 71 S N 0.551 116.254 115.700 0.005 0.000 2.387 71 S HA -0.271 4.365 4.470 0.277 0.000 0.230 71 S C 1.963 176.548 174.600 -0.025 0.000 1.035 71 S CA 1.264 59.467 58.200 0.005 0.000 1.014 71 S CB -0.269 62.923 63.200 -0.013 0.000 0.836 71 S HN 0.492 nan 8.310 nan 0.000 0.466 72 R N 0.639 121.104 120.500 -0.059 0.000 2.148 72 R HA 0.065 4.571 4.340 0.277 0.000 0.227 72 R C 2.327 178.569 176.300 -0.098 0.000 1.103 72 R CA 1.421 57.480 56.100 -0.068 0.000 0.983 72 R CB -0.240 30.018 30.300 -0.070 0.000 0.874 72 R HN 0.491 nan 8.270 nan 0.000 0.451 73 Q N 0.022 119.705 119.800 -0.196 0.000 2.398 73 Q HA 0.148 4.654 4.340 0.277 0.000 0.204 73 Q C 0.163 176.062 176.000 -0.169 0.000 0.932 73 Q CA 0.324 55.925 55.803 -0.336 0.000 0.916 73 Q CB 0.462 28.629 28.738 -0.951 0.000 1.024 73 Q HN 0.241 nan 8.270 nan 0.000 0.504 74 I N 2.951 123.493 120.570 -0.046 0.000 2.505 74 I HA 0.078 4.414 4.170 0.277 0.000 0.287 74 I C -2.078 174.094 176.117 0.090 0.000 1.104 74 I CA -1.926 59.435 61.300 0.103 0.000 1.387 74 I CB 0.449 38.523 38.000 0.124 0.000 1.404 74 I HN -0.100 nan 8.210 nan 0.000 0.528 75 P HA -0.055 nan 4.420 nan 0.000 0.265 75 P C -0.398 176.958 177.300 0.093 0.000 1.193 75 P CA -0.048 63.132 63.100 0.132 0.000 0.765 75 P CB 0.420 32.232 31.700 0.186 0.000 0.823 76 D N 2.908 123.307 120.400 -0.001 0.000 2.801 76 D HA 0.033 4.839 4.640 0.277 0.000 0.232 76 D C -0.539 175.533 176.300 -0.380 0.000 1.128 76 D CA 0.194 54.106 54.000 -0.147 0.000 1.003 76 D CB -0.757 39.932 40.800 -0.185 0.000 1.110 76 D HN 0.321 nan 8.370 nan 0.000 0.477 77 H N 0.664 119.639 119.070 -0.158 0.000 2.771 77 H HA 0.223 4.945 4.556 0.277 0.000 0.361 77 H C 0.034 175.327 175.328 -0.058 0.000 1.108 77 H CA -0.899 55.039 56.048 -0.184 0.000 1.201 77 H CB 1.436 30.976 29.762 -0.370 0.000 1.681 77 H HN 0.007 nan 8.280 nan 0.000 0.534 78 K N 1.719 122.147 120.400 0.047 0.000 2.530 78 K HA -0.121 4.365 4.320 0.277 0.000 0.280 78 K C 0.373 177.053 176.600 0.134 0.000 1.004 78 K CA 0.891 57.218 56.287 0.065 0.000 1.071 78 K CB 0.307 32.817 32.500 0.016 0.000 0.876 78 K HN 0.713 nan 8.250 nan 0.000 0.487 79 E N -1.079 119.232 120.200 0.186 0.000 3.496 79 E HA -0.208 4.308 4.350 0.277 0.000 0.300 79 E C 0.447 177.332 176.600 0.475 0.000 0.877 79 E CA 0.531 57.131 56.400 0.333 0.000 1.050 79 E CB -1.608 28.363 29.700 0.452 0.000 1.532 79 E HN 0.808 nan 8.360 nan 0.000 0.447 80 G N 0.272 109.275 108.800 0.338 0.000 2.572 80 G HA2 0.449 4.575 3.960 0.277 0.000 0.261 80 G HA3 0.449 4.575 3.960 0.277 0.000 0.261 80 G C -0.355 174.785 174.900 0.398 0.000 1.197 80 G CA 0.232 45.531 45.100 0.331 0.000 0.870 80 G HN 0.262 nan 8.290 nan 0.000 0.548 81 Y N -1.575 118.908 120.300 0.306 0.000 2.624 81 Y HA 0.623 5.337 4.550 0.274 0.000 0.334 81 Y C -1.863 174.201 175.900 0.274 0.000 1.155 81 Y CA -2.189 56.061 58.100 0.250 0.000 1.046 81 Y CB 1.287 39.874 38.460 0.212 0.000 1.316 81 Y HN 0.645 nan 8.280 nan 0.000 0.457 82 Y N 3.437 123.916 120.300 0.298 0.000 2.364 82 Y HA 0.740 5.456 4.550 0.277 0.000 0.340 82 Y C -1.801 174.233 175.900 0.223 0.000 0.975 82 Y CA -1.700 56.516 58.100 0.193 0.000 1.089 82 Y CB 1.630 40.160 38.460 0.116 0.000 1.192 82 Y HN 0.966 nan 8.280 nan 0.000 0.454 83 L N 5.789 126.804 121.223 -0.347 0.000 2.385 83 L HA 0.712 5.218 4.340 0.277 0.000 0.273 83 L C -1.200 175.292 176.870 -0.630 0.000 0.990 83 L CA -0.338 54.296 54.840 -0.342 0.000 0.821 83 L CB 1.656 43.723 42.059 0.013 0.000 1.279 83 L HN 0.689 nan 8.230 nan 0.000 0.412 84 S N 3.580 118.964 115.700 -0.527 0.000 2.547 84 S HA 0.786 5.422 4.470 0.277 0.000 0.281 84 S C -1.468 173.044 174.600 -0.146 0.000 1.118 84 S CA -0.465 57.521 58.200 -0.357 0.000 0.947 84 S CB 1.813 64.799 63.200 -0.357 0.000 1.053 84 S HN 0.381 nan 8.310 nan 0.000 0.482 85 V N 5.428 125.309 119.914 -0.056 0.000 2.525 85 V HA 0.589 4.875 4.120 0.277 0.000 0.299 85 V C -0.615 175.485 176.094 0.011 0.000 1.034 85 V CA -0.802 61.501 62.300 0.006 0.000 0.863 85 V CB 1.348 33.201 31.823 0.049 0.000 0.999 85 V HN 0.989 nan 8.190 nan 0.000 0.423 86 N N 2.239 120.953 118.700 0.023 0.000 2.902 86 N HA 0.384 5.290 4.740 0.277 0.000 0.268 86 N C 0.779 176.310 175.510 0.035 0.000 1.450 86 N CA -0.726 52.342 53.050 0.031 0.000 0.819 86 N CB 0.712 39.225 38.487 0.042 0.000 1.540 86 N HN 0.402 nan 8.380 nan 0.000 0.545 87 E N 0.291 120.511 120.200 0.034 0.000 2.209 87 E HA -0.305 4.211 4.350 0.277 0.000 0.196 87 E C 0.911 177.535 176.600 0.041 0.000 0.993 87 E CA 1.741 58.161 56.400 0.034 0.000 0.819 87 E CB -0.251 29.467 29.700 0.030 0.000 0.745 87 E HN 0.867 nan 8.360 nan 0.000 0.477 88 K N 1.271 121.699 120.400 0.047 0.000 2.202 88 K HA 0.003 4.489 4.320 0.277 0.000 0.201 88 K C 0.905 177.541 176.600 0.060 0.000 1.051 88 K CA 0.766 57.085 56.287 0.054 0.000 0.977 88 K CB 0.199 32.735 32.500 0.059 0.000 0.792 88 K HN 0.265 nan 8.250 nan 0.000 0.469 89 E N 0.007 120.241 120.200 0.056 0.000 2.437 89 E HA 0.414 4.930 4.350 0.277 0.000 0.280 89 E C -1.352 175.255 176.600 0.011 0.000 1.044 89 E CA -1.016 55.412 56.400 0.047 0.000 0.826 89 E CB 1.134 30.878 29.700 0.073 0.000 1.358 89 E HN 0.067 nan 8.360 nan 0.000 0.459 90 I N 1.312 121.868 120.570 -0.023 0.000 2.404 90 I HA 0.420 4.756 4.170 0.277 0.000 0.293 90 I C -0.990 175.020 176.117 -0.178 0.000 0.992 90 I CA -1.101 60.146 61.300 -0.088 0.000 1.149 90 I CB 2.011 39.956 38.000 -0.092 0.000 1.315 90 I HN 0.332 nan 8.210 nan 0.000 0.446 91 V N 7.457 127.219 119.914 -0.255 0.000 2.540 91 V HA 0.479 4.765 4.120 0.277 0.000 0.302 91 V C -0.355 175.563 176.094 -0.294 0.000 1.035 91 V CA -0.534 61.563 62.300 -0.337 0.000 0.873 91 V CB 1.872 33.358 31.823 -0.562 0.000 0.992 91 V HN 0.457 nan 8.190 nan 0.000 0.428 92 L N 4.662 125.750 121.223 -0.225 0.000 2.462 92 L HA 0.767 5.273 4.340 0.277 0.000 0.255 92 L C -0.041 176.801 176.870 -0.048 0.000 1.076 92 L CA -0.249 54.483 54.840 -0.180 0.000 0.920 92 L CB 1.436 43.317 42.059 -0.297 0.000 1.214 92 L HN 0.707 nan 8.230 nan 0.000 0.472 93 A N 1.603 124.467 122.820 0.073 0.000 2.310 93 A HA 0.811 5.297 4.320 0.277 0.000 0.304 93 A C 0.237 177.956 177.584 0.226 0.000 1.231 93 A CA -0.362 51.769 52.037 0.156 0.000 0.799 93 A CB 1.040 20.181 19.000 0.235 0.000 1.162 93 A HN 0.572 nan 8.150 nan 0.000 0.486 94 G N 0.788 109.694 108.800 0.176 0.000 2.425 94 G HA2 0.356 4.482 3.960 0.277 0.000 0.302 94 G HA3 0.356 4.482 3.960 0.277 0.000 0.302 94 G C 0.584 175.592 174.900 0.180 0.000 1.159 94 G CA -0.392 44.838 45.100 0.217 0.000 0.865 94 G HN 0.669 nan 8.290 nan 0.000 0.515 95 N N -0.218 118.599 118.700 0.194 0.000 2.244 95 N HA -0.037 4.869 4.740 0.277 0.000 0.183 95 N C 0.275 175.843 175.510 0.096 0.000 1.016 95 N CA 1.522 54.652 53.050 0.133 0.000 0.866 95 N CB 0.138 38.702 38.487 0.129 0.000 0.980 95 N HN 0.753 nan 8.380 nan 0.000 0.430 96 D N -2.763 117.698 120.400 0.102 0.000 2.664 96 D HA 0.176 4.982 4.640 0.277 0.000 0.292 96 D C 0.356 176.688 176.300 0.053 0.000 1.214 96 D CA -0.600 53.439 54.000 0.066 0.000 0.932 96 D CB 0.274 41.109 40.800 0.059 0.000 1.420 96 D HN -0.096 nan 8.370 nan 0.000 0.471 97 E N -0.528 119.685 120.200 0.022 0.000 2.085 97 E HA -0.211 4.305 4.350 0.277 0.000 0.194 97 E C 1.753 178.341 176.600 -0.020 0.000 0.994 97 E CA 0.902 57.301 56.400 -0.001 0.000 0.801 97 E CB 0.036 29.720 29.700 -0.026 0.000 0.743 97 E HN 0.361 nan 8.360 nan 0.000 0.453 98 R N 0.436 120.900 120.500 -0.059 0.000 2.092 98 R HA -0.100 4.406 4.340 0.277 0.000 0.231 98 R C 2.413 178.546 176.300 -0.279 0.000 1.119 98 R CA 1.270 57.236 56.100 -0.225 0.000 0.970 98 R CB -0.331 29.839 30.300 -0.216 0.000 0.864 98 R HN 0.198 nan 8.270 nan 0.000 0.440 99 G N -0.689 108.115 108.800 0.006 0.000 2.422 99 G HA2 -0.241 3.885 3.960 0.277 0.000 0.218 99 G HA3 -0.241 3.885 3.960 0.277 0.000 0.218 99 G C 1.260 176.258 174.900 0.164 0.000 1.146 99 G CA 1.280 46.519 45.100 0.232 0.000 0.769 99 G HN 0.335 nan 8.290 nan 0.000 0.547 100 T N -0.175 114.426 114.554 0.078 0.000 2.708 100 T HA -0.164 4.352 4.350 0.277 0.000 0.266 100 T C 1.976 176.665 174.700 -0.018 0.000 1.037 100 T CA 1.239 63.356 62.100 0.028 0.000 1.146 100 T CB -0.382 68.504 68.868 0.030 0.000 0.865 100 T HN 0.330 nan 8.240 nan 0.000 0.435 101 Y N 1.001 121.226 120.300 -0.125 0.000 2.114 101 Y HA -0.269 4.444 4.550 0.272 0.000 0.282 101 Y C 2.151 178.020 175.900 -0.052 0.000 1.165 101 Y CA 1.349 59.384 58.100 -0.109 0.000 1.148 101 Y CB -0.472 37.906 38.460 -0.137 0.000 0.972 101 Y HN 0.191 nan 8.280 nan 0.000 0.504 102 Y N -0.499 119.803 120.300 0.003 0.000 2.274 102 Y HA -0.143 4.576 4.550 0.282 0.000 0.290 102 Y C 2.617 178.085 175.900 -0.720 0.000 1.145 102 Y CA 0.443 58.409 58.100 -0.224 0.000 1.203 102 Y CB -1.569 36.942 38.460 0.084 0.000 0.984 102 Y HN 0.249 nan 8.280 nan 0.000 0.533 103 A N 0.088 122.420 122.820 -0.812 0.000 1.883 103 A HA -0.150 4.336 4.320 0.277 0.000 0.217 103 A C 2.291 179.589 177.584 -0.476 0.000 1.186 103 A CA 1.420 52.828 52.037 -1.048 0.000 0.624 103 A CB -0.909 17.766 19.000 -0.542 0.000 0.822 103 A HN 0.320 nan 8.150 nan 0.000 0.444 104 L N -0.407 120.613 121.223 -0.339 0.000 2.083 104 L HA -0.160 4.346 4.340 0.277 0.000 0.209 104 L C 2.676 179.425 176.870 -0.201 0.000 1.083 104 L CA 1.605 56.308 54.840 -0.229 0.000 0.752 104 L CB -1.310 40.593 42.059 -0.259 0.000 0.899 104 L HN 0.466 nan 8.230 nan 0.000 0.433 105 Q N -1.017 118.597 119.800 -0.311 0.000 2.167 105 Q HA -0.108 4.398 4.340 0.277 0.000 0.202 105 Q C 2.127 177.994 176.000 -0.223 0.000 0.970 105 Q CA 1.511 57.147 55.803 -0.278 0.000 0.855 105 Q CB -0.498 28.064 28.738 -0.293 0.000 0.911 105 Q HN 0.458 nan 8.270 nan 0.000 0.438 106 T N 0.968 115.381 114.554 -0.235 0.000 2.812 106 T HA -0.089 4.427 4.350 0.277 0.000 0.264 106 T C 1.471 176.124 174.700 -0.078 0.000 1.042 106 T CA 0.801 62.808 62.100 -0.156 0.000 1.140 106 T CB -0.371 68.434 68.868 -0.106 0.000 0.870 106 T HN 0.216 nan 8.240 nan 0.000 0.445 107 F N 2.358 122.181 119.950 -0.212 0.000 2.126 107 F HA -0.057 4.635 4.527 0.275 0.000 0.299 107 F C 2.420 178.132 175.800 -0.148 0.000 1.096 107 F CA 0.995 58.893 58.000 -0.170 0.000 1.255 107 F CB -0.603 38.287 39.000 -0.183 0.000 0.997 107 F HN 0.142 nan 8.300 nan 0.000 0.479 108 A N -0.269 122.493 122.820 -0.097 0.000 1.972 108 A HA -0.233 4.253 4.320 0.277 0.000 0.219 108 A C 2.090 179.555 177.584 -0.199 0.000 1.169 108 A CA 1.825 53.761 52.037 -0.167 0.000 0.635 108 A CB -0.744 18.195 19.000 -0.102 0.000 0.810 108 A HN 0.623 nan 8.150 nan 0.000 0.446 109 Q N -0.638 119.058 119.800 -0.174 0.000 2.245 109 Q HA 0.086 4.592 4.340 0.277 0.000 0.201 109 Q C 1.852 177.753 176.000 -0.165 0.000 0.955 109 Q CA 0.821 56.536 55.803 -0.146 0.000 0.870 109 Q CB -0.192 28.473 28.738 -0.122 0.000 0.945 109 Q HN 0.673 nan 8.270 nan 0.000 0.461 110 L N 0.208 121.298 121.223 -0.223 0.000 2.156 110 L HA -0.049 4.457 4.340 0.277 0.000 0.208 110 L C 0.806 177.511 176.870 -0.276 0.000 1.095 110 L CA -0.016 54.685 54.840 -0.232 0.000 0.770 110 L CB -0.076 41.831 42.059 -0.254 0.000 0.914 110 L HN 0.214 nan 8.230 nan 0.000 0.439 111 L N 1.403 122.399 121.223 -0.377 0.000 2.385 111 L HA 0.162 4.668 4.340 0.277 0.000 0.281 111 L C -0.376 176.372 176.870 -0.203 0.000 1.106 111 L CA 0.748 55.382 54.840 -0.344 0.000 0.856 111 L CB -0.111 41.686 42.059 -0.436 0.000 1.186 111 L HN -0.023 nan 8.230 nan 0.000 0.453 112 K N 3.817 124.125 120.400 -0.153 0.000 2.565 112 K HA 0.354 4.840 4.320 0.277 0.000 0.249 112 K C -0.890 175.661 176.600 -0.082 0.000 0.958 112 K CA -0.634 55.590 56.287 -0.104 0.000 0.806 112 K CB 1.365 33.812 32.500 -0.088 0.000 1.194 112 K HN 0.516 nan 8.250 nan 0.000 0.434 113 D N 2.241 122.600 120.400 -0.067 0.000 2.723 113 D HA -0.164 4.642 4.640 0.277 0.000 0.236 113 D C 0.715 176.984 176.300 -0.050 0.000 1.138 113 D CA 2.016 55.986 54.000 -0.051 0.000 0.676 113 D CB -1.069 39.706 40.800 -0.042 0.000 1.069 113 D HN 1.006 nan 8.370 nan 0.000 0.430 114 G N -0.892 107.872 108.800 -0.061 0.000 2.166 114 G HA2 -0.389 3.737 3.960 0.277 0.000 0.260 114 G HA3 -0.389 3.737 3.960 0.277 0.000 0.260 114 G C 0.319 175.183 174.900 -0.059 0.000 0.986 114 G CA 0.953 46.021 45.100 -0.054 0.000 0.683 114 G HN 0.551 nan 8.290 nan 0.000 0.527 115 K N -1.101 119.253 120.400 -0.077 0.000 2.395 115 K HA 0.848 5.334 4.320 0.277 0.000 0.247 115 K C -0.441 176.091 176.600 -0.112 0.000 0.973 115 K CA -0.901 55.342 56.287 -0.074 0.000 0.828 115 K CB 2.042 34.511 32.500 -0.052 0.000 1.272 115 K HN 0.094 nan 8.250 nan 0.000 0.439 116 L N 2.321 123.485 121.223 -0.097 0.000 2.401 116 L HA 0.535 5.041 4.340 0.277 0.000 0.266 116 L C -2.466 174.361 176.870 -0.073 0.000 0.991 116 L CA -2.134 52.633 54.840 -0.123 0.000 0.818 116 L CB 2.330 44.316 42.059 -0.122 0.000 1.321 116 L HN 0.460 nan 8.230 nan 0.000 0.413 117 P HA 0.135 nan 4.420 nan 0.000 0.276 117 P C -1.029 176.256 177.300 -0.025 0.000 1.244 117 P CA -0.467 62.607 63.100 -0.042 0.000 0.801 117 P CB 0.711 32.385 31.700 -0.043 0.000 1.006 118 E N 0.446 120.639 120.200 -0.011 0.000 2.166 118 E HA 0.289 4.805 4.350 0.277 0.000 0.279 118 E C -0.218 176.382 176.600 -0.001 0.000 1.095 118 E CA -0.298 56.102 56.400 -0.000 0.000 0.888 118 E CB 0.366 30.070 29.700 0.008 0.000 1.041 118 E HN 0.262 nan 8.360 nan 0.000 0.414 119 V N 0.510 120.421 119.914 -0.005 0.000 3.114 119 V HA 0.580 4.866 4.120 0.277 0.000 0.308 119 V C -0.687 175.394 176.094 -0.022 0.000 1.168 119 V CA -1.020 61.275 62.300 -0.008 0.000 1.015 119 V CB 2.193 34.008 31.823 -0.014 0.000 1.050 119 V HN 0.592 nan 8.190 nan 0.000 0.433 120 E N 1.693 121.887 120.200 -0.010 0.000 2.246 120 E HA 0.716 5.232 4.350 0.277 0.000 0.266 120 E C -1.872 174.726 176.600 -0.004 0.000 0.880 120 E CA -0.730 55.654 56.400 -0.027 0.000 0.762 120 E CB 2.219 31.963 29.700 0.073 0.000 1.180 120 E HN 0.810 nan 8.360 nan 0.000 0.416 121 I N 3.743 124.281 120.570 -0.055 0.000 2.498 121 I HA 0.359 4.695 4.170 0.277 0.000 0.290 121 I C -0.719 175.428 176.117 0.049 0.000 1.032 121 I CA -0.743 60.564 61.300 0.011 0.000 1.073 121 I CB 2.017 40.049 38.000 0.054 0.000 1.251 121 I HN 0.278 nan 8.210 nan 0.000 0.426 122 K N 4.307 124.744 120.400 0.063 0.000 2.450 122 K HA 0.544 5.030 4.320 0.277 0.000 0.257 122 K C -1.454 175.093 176.600 -0.088 0.000 0.953 122 K CA -0.722 55.608 56.287 0.071 0.000 0.844 122 K CB 1.910 34.511 32.500 0.168 0.000 1.103 122 K HN 0.379 nan 8.250 nan 0.000 0.429 123 D N 1.787 122.013 120.400 -0.291 0.000 2.596 123 D HA 0.529 5.335 4.640 0.277 0.000 0.234 123 D C -1.733 174.460 176.300 -0.178 0.000 1.181 123 D CA -0.275 53.497 54.000 -0.380 0.000 0.856 123 D CB 1.323 41.785 40.800 -0.563 0.000 1.498 123 D HN 0.401 nan 8.370 nan 0.000 0.446 124 Y N -2.038 118.163 120.300 -0.165 0.000 2.661 124 Y HA 0.473 5.189 4.550 0.277 0.000 0.339 124 Y C -3.160 172.017 175.900 -1.204 0.000 1.186 124 Y CA -1.762 56.077 58.100 -0.435 0.000 1.137 124 Y CB 0.534 38.736 38.460 -0.429 0.000 1.354 124 Y HN 0.082 nan 8.280 nan 0.000 0.469 125 P HA 0.303 nan 4.420 nan 0.000 0.282 125 P C -0.159 176.756 177.300 -0.642 0.000 1.249 125 P CA -0.288 61.889 63.100 -1.539 0.000 0.806 125 P CB 2.073 33.135 31.700 -1.064 0.000 0.984 126 S N 0.397 115.758 115.700 -0.565 0.000 2.470 126 S HA 0.076 4.712 4.470 0.277 0.000 0.225 126 S C 0.874 175.334 174.600 -0.235 0.000 1.006 126 S CA 0.277 58.294 58.200 -0.305 0.000 0.934 126 S CB 0.038 63.055 63.200 -0.304 0.000 0.778 126 S HN 0.321 nan 8.310 nan 0.000 0.517 127 V N 2.058 121.812 119.914 -0.266 0.000 2.495 127 V HA 0.412 4.698 4.120 0.277 0.000 0.298 127 V C 0.921 176.898 176.094 -0.195 0.000 1.031 127 V CA -0.777 61.409 62.300 -0.190 0.000 0.871 127 V CB 1.915 33.641 31.823 -0.163 0.000 0.988 127 V HN 0.041 nan 8.190 nan 0.000 0.432 128 R N 3.772 124.138 120.500 -0.223 0.000 2.066 128 R HA -0.007 4.499 4.340 0.277 0.000 0.232 128 R C -0.167 175.850 176.300 -0.471 0.000 1.131 128 R CA 1.604 57.473 56.100 -0.385 0.000 0.955 128 R CB -0.132 29.855 30.300 -0.522 0.000 0.851 128 R HN 0.578 nan 8.270 nan 0.000 0.432 129 Y N 0.449 120.723 120.300 -0.043 0.000 2.328 129 Y HA 0.524 5.236 4.550 0.270 0.000 0.337 129 Y C -0.419 175.448 175.900 -0.054 0.000 0.966 129 Y CA -0.885 57.196 58.100 -0.032 0.000 1.136 129 Y CB 1.561 39.970 38.460 -0.085 0.000 1.170 129 Y HN -0.100 nan 8.280 nan 0.000 0.470 130 R N 1.979 122.592 120.500 0.188 0.000 2.538 130 R HA 0.819 5.325 4.340 0.277 0.000 0.292 130 R C -0.207 176.172 176.300 0.131 0.000 1.008 130 R CA -0.848 55.343 56.100 0.151 0.000 0.896 130 R CB 2.269 32.651 30.300 0.137 0.000 1.187 130 R HN 0.896 nan 8.270 nan 0.000 0.440 131 G N 0.721 109.579 108.800 0.096 0.000 2.399 131 G HA2 0.286 4.412 3.960 0.277 0.000 0.256 131 G HA3 0.286 4.412 3.960 0.277 0.000 0.256 131 G C -1.813 173.042 174.900 -0.075 0.000 1.236 131 G CA -0.526 44.551 45.100 -0.039 0.000 0.914 131 G HN 0.305 nan 8.290 nan 0.000 0.482 132 V N 0.230 120.043 119.914 -0.169 0.000 2.540 132 V HA 0.664 4.950 4.120 0.277 0.000 0.302 132 V C -0.316 175.673 176.094 -0.174 0.000 1.035 132 V CA -0.779 61.461 62.300 -0.099 0.000 0.873 132 V CB 1.469 33.308 31.823 0.026 0.000 0.992 132 V HN 1.035 nan 8.190 nan 0.000 0.428 133 V N 4.607 124.301 119.914 -0.367 0.000 2.350 133 V HA 0.424 4.710 4.120 0.277 0.000 0.276 133 V C 0.383 176.110 176.094 -0.611 0.000 1.028 133 V CA -0.233 61.701 62.300 -0.611 0.000 0.860 133 V CB 1.356 32.557 31.823 -1.036 0.000 0.990 133 V HN 1.035 nan 8.190 nan 0.000 0.453 134 E N 5.035 124.835 120.200 -0.667 0.000 1.791 134 E HA 0.361 4.877 4.350 0.277 0.000 0.263 134 E C 0.780 176.786 176.600 -0.990 0.000 1.213 134 E CA 0.404 56.276 56.400 -0.879 0.000 0.991 134 E CB 0.129 29.279 29.700 -0.916 0.000 1.068 134 E HN 0.930 nan 8.360 nan 0.000 0.417 135 G N 4.268 112.578 108.800 -0.816 0.000 3.979 135 G HA2 0.095 4.221 3.960 0.277 0.000 0.287 135 G HA3 0.095 4.221 3.960 0.277 0.000 0.287 135 G C -0.180 174.461 174.900 -0.432 0.000 1.011 135 G CA -0.426 44.328 45.100 -0.576 0.000 0.818 135 G HN 0.440 nan 8.290 nan 0.000 0.470 136 F N -0.507 119.218 119.950 -0.375 0.000 2.370 136 F HA 0.765 5.442 4.527 0.249 0.000 0.319 136 F C -0.309 175.282 175.800 -0.348 0.000 1.129 136 F CA -2.651 55.172 58.000 -0.294 0.000 1.109 136 F CB 0.335 39.198 39.000 -0.230 0.000 1.262 136 F HN -0.041 nan 8.300 nan 0.000 0.534 137 Y N 1.004 121.387 120.300 0.138 0.000 2.319 137 Y HA 0.546 5.263 4.550 0.279 0.000 0.328 137 Y C 0.880 176.911 175.900 0.217 0.000 1.133 137 Y CA 0.463 58.610 58.100 0.080 0.000 1.265 137 Y CB 0.866 39.313 38.460 -0.022 0.000 1.218 137 Y HN 1.095 nan 8.280 nan 0.000 0.508 138 G N 0.564 109.565 108.800 0.335 0.000 2.331 138 G HA2 -0.069 4.057 3.960 0.277 0.000 0.402 138 G HA3 -0.069 4.057 3.960 0.277 0.000 0.402 138 G C -1.074 173.995 174.900 0.281 0.000 1.275 138 G CA -1.186 44.086 45.100 0.286 0.000 1.003 138 G HN 0.476 nan 8.290 nan 0.000 0.500 139 T N 3.317 118.014 114.554 0.238 0.000 2.831 139 T HA 0.428 4.944 4.350 0.277 0.000 0.291 139 T C -1.998 172.898 174.700 0.326 0.000 0.981 139 T CA 0.353 62.592 62.100 0.232 0.000 1.174 139 T CB 0.793 69.773 68.868 0.187 0.000 0.929 139 T HN 0.413 nan 8.240 nan 0.000 0.532 140 P HA 0.103 nan 4.420 nan 0.000 0.272 140 P C -0.065 177.463 177.300 0.380 0.000 1.223 140 P CA -0.691 62.517 63.100 0.181 0.000 0.784 140 P CB 0.398 32.140 31.700 0.069 0.000 0.923 141 W N 1.552 123.002 121.300 0.248 0.000 2.364 141 W HA 0.028 4.793 4.660 0.174 0.000 0.343 141 W C 1.086 177.706 176.519 0.169 0.000 1.237 141 W CA -0.077 57.388 57.345 0.199 0.000 1.319 141 W CB -0.876 28.701 29.460 0.196 0.000 1.179 141 W HN 0.331 nan 8.180 nan 0.000 0.578 142 S N 1.123 117.021 115.700 0.330 0.000 2.614 142 S HA 0.013 4.649 4.470 0.277 0.000 0.265 142 S C 1.025 175.761 174.600 0.225 0.000 1.303 142 S CA 0.051 58.395 58.200 0.241 0.000 1.000 142 S CB 1.045 64.334 63.200 0.149 0.000 0.935 142 S HN 0.557 nan 8.310 nan 0.000 0.551 143 H N 1.142 120.295 119.070 0.138 0.000 2.319 143 H HA -0.077 4.647 4.556 0.280 0.000 0.299 143 H C 2.010 177.368 175.328 0.050 0.000 1.092 143 H CA 2.468 58.582 56.048 0.110 0.000 1.302 143 H CB -0.102 29.709 29.762 0.081 0.000 1.373 143 H HN 0.586 nan 8.280 nan 0.000 0.497 144 Q N -0.075 119.723 119.800 -0.004 0.000 2.167 144 Q HA -0.037 4.469 4.340 0.277 0.000 0.202 144 Q C 2.525 178.432 176.000 -0.154 0.000 0.970 144 Q CA 1.143 56.891 55.803 -0.092 0.000 0.855 144 Q CB -0.571 28.153 28.738 -0.025 0.000 0.911 144 Q HN 0.627 nan 8.270 nan 0.000 0.438 145 A N 1.057 123.798 122.820 -0.131 0.000 1.873 145 A HA -0.187 4.299 4.320 0.277 0.000 0.215 145 A C 2.187 179.589 177.584 -0.303 0.000 1.186 145 A CA 1.342 53.231 52.037 -0.246 0.000 0.616 145 A CB -0.427 18.403 19.000 -0.283 0.000 0.823 145 A HN 0.258 nan 8.150 nan 0.000 0.442 146 R N -0.513 119.891 120.500 -0.159 0.000 2.091 146 R HA -0.085 4.421 4.340 0.277 0.000 0.238 146 R C 2.079 178.205 176.300 -0.289 0.000 1.136 146 R CA 1.527 57.534 56.100 -0.155 0.000 0.959 146 R CB -0.583 29.736 30.300 0.032 0.000 0.856 146 R HN 0.517 nan 8.270 nan 0.000 0.437 147 L N -0.157 120.880 121.223 -0.310 0.000 2.012 147 L HA -0.252 4.254 4.340 0.277 0.000 0.210 147 L C 2.647 179.368 176.870 -0.249 0.000 1.073 147 L CA 1.407 56.080 54.840 -0.277 0.000 0.748 147 L CB -0.532 41.364 42.059 -0.273 0.000 0.891 147 L HN 0.243 nan 8.230 nan 0.000 0.431 148 S N -1.071 114.472 115.700 -0.260 0.000 2.368 148 S HA -0.202 4.434 4.470 0.277 0.000 0.225 148 S C 2.016 176.429 174.600 -0.312 0.000 1.030 148 S CA 1.145 59.195 58.200 -0.250 0.000 0.999 148 S CB -0.050 62.995 63.200 -0.258 0.000 0.844 148 S HN 0.378 nan 8.310 nan 0.000 0.459 149 Q N 0.650 120.174 119.800 -0.461 0.000 2.061 149 Q HA -0.078 4.428 4.340 0.277 0.000 0.204 149 Q C 2.350 177.740 176.000 -1.016 0.000 0.984 149 Q CA 1.339 56.716 55.803 -0.710 0.000 0.846 149 Q CB -0.674 27.645 28.738 -0.699 0.000 0.902 149 Q HN 0.550 nan 8.270 nan 0.000 0.421 150 L N 0.567 121.369 121.223 -0.701 0.000 2.127 150 L HA -0.214 4.292 4.340 0.277 0.000 0.211 150 L C 2.422 179.169 176.870 -0.205 0.000 1.089 150 L CA 1.278 55.849 54.840 -0.449 0.000 0.757 150 L CB -0.307 41.628 42.059 -0.208 0.000 0.899 150 L HN 0.170 nan 8.230 nan 0.000 0.434 151 K N -0.873 119.431 120.400 -0.161 0.000 2.103 151 K HA -0.153 4.333 4.320 0.277 0.000 0.204 151 K C 2.056 178.683 176.600 0.044 0.000 1.052 151 K CA 1.157 57.426 56.287 -0.031 0.000 0.945 151 K CB -0.208 32.271 32.500 -0.034 0.000 0.722 151 K HN 0.049 nan 8.250 nan 0.000 0.443 152 F N 0.797 120.646 119.950 -0.168 0.000 2.134 152 F HA -0.243 4.422 4.527 0.230 0.000 0.299 152 F C 1.770 177.641 175.800 0.119 0.000 1.097 152 F CA 1.433 59.406 58.000 -0.046 0.000 1.264 152 F CB -0.113 38.839 39.000 -0.081 0.000 1.001 152 F HN 0.004 nan 8.300 nan 0.000 0.479 153 Y N 0.029 120.415 120.300 0.143 0.000 2.200 153 Y HA 0.001 4.719 4.550 0.281 0.000 0.290 153 Y C 2.769 178.704 175.900 0.059 0.000 1.137 153 Y CA 0.578 58.733 58.100 0.090 0.000 1.163 153 Y CB -1.695 36.860 38.460 0.159 0.000 0.988 153 Y HN 0.067 nan 8.280 nan 0.000 0.518 154 G N 0.053 109.013 108.800 0.268 0.000 2.440 154 G HA2 -0.262 3.864 3.960 0.277 0.000 0.218 154 G HA3 -0.262 3.864 3.960 0.277 0.000 0.218 154 G C 1.761 176.787 174.900 0.209 0.000 1.154 154 G CA 0.915 46.223 45.100 0.347 0.000 0.767 154 G HN 0.331 nan 8.290 nan 0.000 0.552 155 K N 0.150 120.565 120.400 0.025 0.000 2.211 155 K HA 0.009 4.495 4.320 0.277 0.000 0.203 155 K C 1.318 177.767 176.600 -0.251 0.000 1.050 155 K CA 0.765 56.978 56.287 -0.123 0.000 0.945 155 K CB 0.031 32.441 32.500 -0.149 0.000 0.732 155 K HN 0.212 nan 8.250 nan 0.000 0.451 156 N N 0.700 119.232 118.700 -0.280 0.000 2.214 156 N HA 0.049 4.955 4.740 0.277 0.000 0.214 156 N C -0.799 174.484 175.510 -0.378 0.000 1.132 156 N CA 0.162 52.971 53.050 -0.400 0.000 0.856 156 N CB 0.835 39.023 38.487 -0.498 0.000 1.020 156 N HN 0.054 nan 8.380 nan 0.000 0.509 157 K N 0.221 120.403 120.400 -0.362 0.000 3.071 157 K HA -0.178 4.308 4.320 0.277 0.000 0.265 157 K C -0.314 176.172 176.600 -0.191 0.000 1.060 157 K CA 0.588 56.490 56.287 -0.641 0.000 0.767 157 K CB -1.609 30.100 32.500 -1.319 0.000 1.241 157 K HN 0.295 nan 8.250 nan 0.000 0.486 158 M N 1.820 121.433 119.600 0.022 0.000 2.146 158 M HA 0.066 4.712 4.480 0.277 0.000 0.357 158 M C 1.131 177.573 176.300 0.236 0.000 1.261 158 M CA -0.179 55.189 55.300 0.113 0.000 1.106 158 M CB 0.614 33.239 32.600 0.042 0.000 1.612 158 M HN 0.196 nan 8.290 nan 0.000 0.470 159 N N 0.713 119.578 118.700 0.275 0.000 2.270 159 N HA 0.074 4.980 4.740 0.277 0.000 0.198 159 N C -0.864 174.823 175.510 0.296 0.000 1.117 159 N CA -0.175 53.080 53.050 0.340 0.000 0.845 159 N CB 0.517 39.242 38.487 0.397 0.000 0.980 159 N HN 0.369 nan 8.380 nan 0.000 0.486 160 T N 0.423 115.116 114.554 0.233 0.000 2.991 160 T HA 0.231 4.747 4.350 0.277 0.000 0.303 160 T C -2.203 172.588 174.700 0.151 0.000 1.015 160 T CA -0.511 61.708 62.100 0.197 0.000 1.007 160 T CB 1.327 70.321 68.868 0.209 0.000 1.034 160 T HN 0.175 nan 8.240 nan 0.000 0.446 161 Y N 4.285 124.593 120.300 0.014 0.000 2.333 161 Y HA 0.605 5.304 4.550 0.249 0.000 0.324 161 Y C -1.339 174.439 175.900 -0.203 0.000 1.033 161 Y CA -1.436 56.643 58.100 -0.035 0.000 1.224 161 Y CB 0.456 39.020 38.460 0.174 0.000 1.120 161 Y HN 0.611 nan 8.280 nan 0.000 0.457 162 I N 7.259 127.453 120.570 -0.626 0.000 2.312 162 I HA 0.123 4.459 4.170 0.277 0.000 0.291 162 I C -0.819 174.639 176.117 -1.099 0.000 1.031 162 I CA -0.737 60.130 61.300 -0.722 0.000 1.293 162 I CB 0.534 38.290 38.000 -0.407 0.000 1.403 162 I HN 0.617 nan 8.210 nan 0.000 0.484 163 Y N 5.992 125.522 120.300 -1.283 0.000 2.452 163 Y HA 0.526 5.244 4.550 0.280 0.000 0.348 163 Y C 0.671 176.040 175.900 -0.885 0.000 0.985 163 Y CA -0.265 57.203 58.100 -1.053 0.000 1.214 163 Y CB 0.964 38.952 38.460 -0.786 0.000 1.136 163 Y HN 0.607 nan 8.280 nan 0.000 0.523 164 G N 7.117 115.216 108.800 -1.169 0.000 4.775 164 G HA2 0.152 4.278 3.960 0.277 0.000 0.222 164 G HA3 0.152 4.278 3.960 0.277 0.000 0.222 164 G C -3.352 170.811 174.900 -1.229 0.000 0.974 164 G CA -0.903 43.368 45.100 -1.382 0.000 0.614 164 G HN 0.400 nan 8.290 nan 0.000 0.427 165 P HA 0.149 nan 4.420 nan 0.000 0.271 165 P C 0.952 177.926 177.300 -0.544 0.000 1.233 165 P CA -0.174 62.377 63.100 -0.915 0.000 0.764 165 P CB 1.437 32.684 31.700 -0.755 0.000 0.825 166 K N 2.035 122.120 120.400 -0.524 0.000 2.211 166 K HA -0.122 4.364 4.320 0.277 0.000 0.204 166 K C 0.509 177.047 176.600 -0.104 0.000 1.047 166 K CA 1.438 57.504 56.287 -0.368 0.000 0.935 166 K CB -0.232 31.786 32.500 -0.803 0.000 0.728 166 K HN 0.476 nan 8.250 nan 0.000 0.452 167 D N 0.862 121.216 120.400 -0.078 0.000 2.339 167 D HA -0.053 4.753 4.640 0.277 0.000 0.217 167 D C -0.014 176.333 176.300 0.078 0.000 1.050 167 D CA 0.160 54.189 54.000 0.048 0.000 0.856 167 D CB -0.004 40.856 40.800 0.101 0.000 0.922 167 D HN 0.096 nan 8.370 nan 0.000 0.518 168 D N 1.574 122.026 120.400 0.085 0.000 2.338 168 D HA 0.028 4.834 4.640 0.277 0.000 0.255 168 D C -1.366 175.049 176.300 0.192 0.000 1.237 168 D CA -1.905 52.221 54.000 0.210 0.000 0.883 168 D CB 1.689 42.675 40.800 0.310 0.000 1.087 168 D HN -0.041 nan 8.370 nan 0.000 0.485 169 P HA -0.147 nan 4.420 nan 0.000 0.222 169 P C 0.631 177.772 177.300 -0.265 0.000 1.147 169 P CA 0.929 63.946 63.100 -0.138 0.000 0.790 169 P CB -0.015 31.489 31.700 -0.326 0.000 0.780 170 Y N -1.700 118.649 120.300 0.082 0.000 2.529 170 Y HA 0.006 4.721 4.550 0.275 0.000 0.290 170 Y C 2.592 178.659 175.900 0.279 0.000 1.177 170 Y CA 0.578 58.648 58.100 -0.051 0.000 1.305 170 Y CB -0.845 37.172 38.460 -0.738 0.000 1.047 170 Y HN 0.158 nan 8.280 nan 0.000 0.522 171 H N -1.876 117.406 119.070 0.354 0.000 2.460 171 H HA 0.242 4.968 4.556 0.282 0.000 0.297 171 H C 1.289 176.734 175.328 0.195 0.000 1.023 171 H CA 0.787 57.005 56.048 0.284 0.000 1.321 171 H CB 0.363 30.212 29.762 0.145 0.000 1.455 171 H HN 0.045 nan 8.280 nan 0.000 0.539 172 S N -0.943 114.788 115.700 0.050 0.000 2.786 172 S HA 0.765 5.401 4.470 0.277 0.000 0.302 172 S C -0.702 174.061 174.600 0.271 0.000 1.080 172 S CA -0.387 57.857 58.200 0.072 0.000 0.925 172 S CB 0.593 63.854 63.200 0.101 0.000 1.325 172 S HN 0.552 nan 8.310 nan 0.000 0.576 173 A N 1.666 124.653 122.820 0.278 0.000 2.327 173 A HA 0.622 5.108 4.320 0.277 0.000 0.283 173 A C -1.705 175.930 177.584 0.086 0.000 1.127 173 A CA -1.231 50.976 52.037 0.283 0.000 0.810 173 A CB 0.049 19.201 19.000 0.253 0.000 1.066 173 A HN 0.733 nan 8.150 nan 0.000 0.492 174 P HA 0.051 nan 4.420 nan 0.000 0.252 174 P C 0.099 177.202 177.300 -0.328 0.000 1.218 174 P CA 0.322 63.339 63.100 -0.138 0.000 0.807 174 P CB 0.319 31.933 31.700 -0.143 0.000 1.072 175 N N 0.541 119.100 118.700 -0.235 0.000 2.434 175 N HA -0.030 4.876 4.740 0.277 0.000 0.196 175 N C 1.468 176.895 175.510 -0.139 0.000 1.183 175 N CA 0.144 53.019 53.050 -0.291 0.000 0.849 175 N CB -0.694 37.499 38.487 -0.491 0.000 0.992 175 N HN 0.493 nan 8.380 nan 0.000 0.460 176 W N 0.642 121.919 121.300 -0.037 0.000 2.364 176 W HA -0.084 4.742 4.660 0.277 0.000 0.281 176 W C 0.897 177.464 176.519 0.080 0.000 1.219 176 W CA 0.079 57.456 57.345 0.053 0.000 1.220 176 W CB -0.730 28.719 29.460 -0.018 0.000 1.127 176 W HN 0.054 nan 8.180 nan 0.000 0.556 177 R N 0.649 120.845 120.500 -0.507 0.000 2.189 177 R HA 0.122 4.628 4.340 0.277 0.000 0.218 177 R C 0.975 177.200 176.300 -0.126 0.000 1.074 177 R CA 0.495 56.318 56.100 -0.461 0.000 0.991 177 R CB -0.295 29.537 30.300 -0.780 0.000 0.883 177 R HN 0.148 nan 8.270 nan 0.000 0.457 178 L N 2.034 123.242 121.223 -0.025 0.000 2.325 178 L HA 0.338 4.844 4.340 0.277 0.000 0.279 178 L C -2.191 174.724 176.870 0.076 0.000 1.054 178 L CA -2.540 52.335 54.840 0.059 0.000 0.804 178 L CB 1.204 43.357 42.059 0.156 0.000 1.200 178 L HN -0.210 nan 8.230 nan 0.000 0.436 179 P HA 0.019 nan 4.420 nan 0.000 0.269 179 P C -1.021 176.124 177.300 -0.258 0.000 1.215 179 P CA -0.182 62.884 63.100 -0.057 0.000 0.780 179 P CB 0.261 31.943 31.700 -0.029 0.000 0.898 180 Y N 1.515 121.623 120.300 -0.320 0.000 2.702 180 Y HA 0.057 4.772 4.550 0.276 0.000 0.336 180 Y C -1.241 174.403 175.900 -0.427 0.000 1.235 180 Y CA -0.791 56.974 58.100 -0.560 0.000 1.492 180 Y CB -1.094 37.167 38.460 -0.331 0.000 1.308 180 Y HN 0.376 nan 8.280 nan 0.000 0.589 181 P HA -0.053 nan 4.420 nan 0.000 0.270 181 P C 0.221 177.479 177.300 -0.070 0.000 1.227 181 P CA -0.024 62.989 63.100 -0.145 0.000 0.788 181 P CB 0.780 32.423 31.700 -0.095 0.000 0.926 182 D N 0.729 121.098 120.400 -0.051 0.000 2.116 182 D HA -0.207 4.599 4.640 0.277 0.000 0.193 182 D C 1.671 177.936 176.300 -0.057 0.000 0.998 182 D CA 1.531 55.501 54.000 -0.049 0.000 0.836 182 D CB -0.206 40.571 40.800 -0.037 0.000 0.951 182 D HN 0.481 nan 8.370 nan 0.000 0.449 183 K N 0.720 121.094 120.400 -0.044 0.000 2.002 183 K HA -0.198 4.288 4.320 0.277 0.000 0.209 183 K C 1.874 178.428 176.600 -0.077 0.000 1.048 183 K CA 1.347 57.602 56.287 -0.054 0.000 0.930 183 K CB 0.036 32.520 32.500 -0.027 0.000 0.714 183 K HN -0.089 nan 8.250 nan 0.000 0.438 184 E N 0.373 120.551 120.200 -0.037 0.000 2.153 184 E HA -0.127 4.389 4.350 0.277 0.000 0.194 184 E C 1.756 178.250 176.600 -0.177 0.000 0.988 184 E CA 1.306 57.682 56.400 -0.039 0.000 0.811 184 E CB -0.196 29.592 29.700 0.147 0.000 0.746 184 E HN 0.461 nan 8.360 nan 0.000 0.466 185 A N 0.874 123.607 122.820 -0.146 0.000 1.873 185 A HA -0.061 4.425 4.320 0.277 0.000 0.215 185 A C 2.367 179.826 177.584 -0.208 0.000 1.186 185 A CA 1.765 53.679 52.037 -0.204 0.000 0.616 185 A CB -0.846 18.084 19.000 -0.117 0.000 0.823 185 A HN 0.293 nan 8.150 nan 0.000 0.442 186 A N -0.677 122.048 122.820 -0.158 0.000 1.933 186 A HA -0.206 4.280 4.320 0.277 0.000 0.218 186 A C 2.122 179.600 177.584 -0.178 0.000 1.175 186 A CA 1.679 53.627 52.037 -0.148 0.000 0.628 186 A CB -0.560 18.371 19.000 -0.115 0.000 0.814 186 A HN 0.668 nan 8.150 nan 0.000 0.444 187 Q N -0.374 119.284 119.800 -0.236 0.000 2.020 187 Q HA -0.116 4.390 4.340 0.277 0.000 0.202 187 Q C 2.109 178.046 176.000 -0.105 0.000 0.982 187 Q CA 1.537 57.145 55.803 -0.324 0.000 0.838 187 Q CB -0.381 28.035 28.738 -0.536 0.000 0.899 187 Q HN 0.667 nan 8.270 nan 0.000 0.423 188 L N 0.581 121.671 121.223 -0.221 0.000 2.043 188 L HA -0.286 4.221 4.340 0.277 0.000 0.212 188 L C 2.696 179.334 176.870 -0.387 0.000 1.075 188 L CA 1.450 56.083 54.840 -0.346 0.000 0.752 188 L CB -0.471 41.236 42.059 -0.586 0.000 0.891 188 L HN 0.382 nan 8.230 nan 0.000 0.432 189 Q N 0.014 119.634 119.800 -0.300 0.000 2.084 189 Q HA -0.276 4.230 4.340 0.277 0.000 0.202 189 Q C 2.163 178.051 176.000 -0.186 0.000 0.978 189 Q CA 1.876 57.525 55.803 -0.257 0.000 0.844 189 Q CB 0.020 28.644 28.738 -0.190 0.000 0.898 189 Q HN 0.482 nan 8.270 nan 0.000 0.426 190 E N 0.030 120.167 120.200 -0.106 0.000 2.072 190 E HA -0.180 4.336 4.350 0.277 0.000 0.191 190 E C 2.079 178.658 176.600 -0.035 0.000 0.985 190 E CA 0.770 57.151 56.400 -0.032 0.000 0.801 190 E CB -0.080 29.657 29.700 0.061 0.000 0.750 190 E HN 0.419 nan 8.360 nan 0.000 0.452 191 L N 0.508 121.721 121.223 -0.018 0.000 2.081 191 L HA -0.207 4.299 4.340 0.277 0.000 0.212 191 L C 2.536 179.342 176.870 -0.106 0.000 1.080 191 L CA 0.885 55.712 54.840 -0.022 0.000 0.754 191 L CB -0.439 41.690 42.059 0.117 0.000 0.893 191 L HN 0.140 nan 8.230 nan 0.000 0.433 192 V N -0.071 119.642 119.914 -0.335 0.000 2.307 192 V HA -0.248 4.038 4.120 0.277 0.000 0.245 192 V C 2.759 178.774 176.094 -0.132 0.000 1.045 192 V CA 1.720 63.838 62.300 -0.303 0.000 1.024 192 V CB -0.797 30.759 31.823 -0.445 0.000 0.651 192 V HN 0.469 nan 8.190 nan 0.000 0.449 193 A N -0.058 122.686 122.820 -0.126 0.000 1.883 193 A HA -0.178 4.308 4.320 0.277 0.000 0.217 193 A C 2.399 179.937 177.584 -0.076 0.000 1.186 193 A CA 2.231 54.216 52.037 -0.086 0.000 0.624 193 A CB -0.778 18.178 19.000 -0.073 0.000 0.822 193 A HN 0.328 nan 8.150 nan 0.000 0.444 194 V N -0.086 119.788 119.914 -0.066 0.000 2.295 194 V HA -0.270 4.016 4.120 0.277 0.000 0.246 194 V C 3.074 179.133 176.094 -0.057 0.000 1.049 194 V CA 2.004 64.265 62.300 -0.066 0.000 1.024 194 V CB -1.364 30.420 31.823 -0.065 0.000 0.648 194 V HN 0.637 nan 8.190 nan 0.000 0.447 195 A N 0.520 123.343 122.820 0.005 0.000 1.883 195 A HA -0.274 4.212 4.320 0.277 0.000 0.217 195 A C 2.070 179.650 177.584 -0.006 0.000 1.186 195 A CA 2.280 54.359 52.037 0.070 0.000 0.624 195 A CB -0.746 18.398 19.000 0.241 0.000 0.822 195 A HN 0.599 nan 8.150 nan 0.000 0.444 196 N N -0.023 118.652 118.700 -0.043 0.000 2.120 196 N HA -0.135 4.771 4.740 0.277 0.000 0.188 196 N C 1.580 176.904 175.510 -0.309 0.000 1.024 196 N CA 1.562 54.567 53.050 -0.075 0.000 0.852 196 N CB -0.474 37.996 38.487 -0.029 0.000 1.003 196 N HN 0.682 nan 8.380 nan 0.000 0.424 197 E N 0.211 120.176 120.200 -0.392 0.000 2.265 197 E HA -0.008 4.508 4.350 0.277 0.000 0.196 197 E C 0.615 176.820 176.600 -0.657 0.000 0.996 197 E CA 0.546 56.504 56.400 -0.736 0.000 0.832 197 E CB 0.017 29.523 29.700 -0.323 0.000 0.756 197 E HN 0.366 nan 8.360 nan 0.000 0.491 198 N N 0.517 118.998 118.700 -0.365 0.000 2.230 198 N HA -0.022 4.884 4.740 0.277 0.000 0.202 198 N C -0.527 174.797 175.510 -0.311 0.000 1.119 198 N CA 0.230 53.144 53.050 -0.228 0.000 0.851 198 N CB 0.846 39.333 38.487 0.000 0.000 0.990 198 N HN 0.010 nan 8.380 nan 0.000 0.497 199 E N -0.182 119.795 120.200 -0.372 0.000 2.694 199 E HA -0.138 4.378 4.350 0.277 0.000 0.272 199 E C -0.749 175.884 176.600 0.055 0.000 1.040 199 E CA 0.354 56.628 56.400 -0.210 0.000 0.809 199 E CB -1.828 27.615 29.700 -0.428 0.000 1.389 199 E HN 0.064 nan 8.360 nan 0.000 0.413 200 V N 1.305 121.281 119.914 0.104 0.000 2.435 200 V HA 0.189 4.475 4.120 0.277 0.000 0.290 200 V C 0.496 176.719 176.094 0.215 0.000 1.030 200 V CA -0.676 61.758 62.300 0.223 0.000 0.881 200 V CB 1.801 33.803 31.823 0.298 0.000 0.983 200 V HN -0.035 nan 8.190 nan 0.000 0.445 201 D N 3.878 124.415 120.400 0.228 0.000 2.346 201 D HA 0.121 4.927 4.640 0.277 0.000 0.260 201 D C -0.300 176.146 176.300 0.242 0.000 1.252 201 D CA 0.221 54.344 54.000 0.205 0.000 0.895 201 D CB 0.698 41.603 40.800 0.174 0.000 1.097 201 D HN 0.444 nan 8.370 nan 0.000 0.489 202 F N 3.443 123.460 119.950 0.111 0.000 2.466 202 F HA 0.158 4.859 4.527 0.290 0.000 0.363 202 F C -0.237 175.550 175.800 -0.021 0.000 1.109 202 F CA -0.517 57.563 58.000 0.133 0.000 1.161 202 F CB 0.505 39.578 39.000 0.123 0.000 1.117 202 F HN -0.009 nan 8.300 nan 0.000 0.539 203 V N 7.451 127.240 119.914 -0.209 0.000 2.318 203 V HA 0.017 4.303 4.120 0.277 0.000 0.271 203 V C -0.708 175.199 176.094 -0.311 0.000 1.030 203 V CA -0.696 61.465 62.300 -0.231 0.000 0.844 203 V CB 0.490 32.172 31.823 -0.236 0.000 1.015 203 V HN 0.775 nan 8.190 nan 0.000 0.460 204 W N 5.760 126.870 121.300 -0.316 0.000 2.332 204 W HA 0.651 5.479 4.660 0.279 0.000 0.306 204 W C 0.334 176.760 176.519 -0.156 0.000 1.149 204 W CA -0.362 56.892 57.345 -0.153 0.000 1.271 204 W CB 0.801 30.272 29.460 0.019 0.000 1.243 204 W HN 0.658 nan 8.180 nan 0.000 0.459 205 A N 6.964 129.273 122.820 -0.851 0.000 2.279 205 A HA 0.732 5.218 4.320 0.277 0.000 0.303 205 A C -1.263 175.679 177.584 -1.070 0.000 1.108 205 A CA -0.674 50.788 52.037 -0.957 0.000 0.830 205 A CB 0.889 19.023 19.000 -1.444 0.000 1.106 205 A HN 0.763 nan 8.150 nan 0.000 0.493 206 I N 0.065 120.245 120.570 -0.650 0.000 2.828 206 I HA 0.394 4.730 4.170 0.277 0.000 0.302 206 I C -0.889 174.872 176.117 -0.593 0.000 1.101 206 I CA -0.494 60.482 61.300 -0.540 0.000 1.031 206 I CB 1.946 39.873 38.000 -0.122 0.000 1.231 206 I HN 0.820 nan 8.210 nan 0.000 0.427 207 H N 7.687 126.236 119.070 -0.869 0.000 2.488 207 H HA 0.395 5.119 4.556 0.280 0.000 0.237 207 H C -2.500 172.377 175.328 -0.751 0.000 1.395 207 H CA -1.573 54.032 56.048 -0.739 0.000 1.491 207 H CB 1.465 30.756 29.762 -0.784 0.000 1.567 207 H HN 0.381 nan 8.280 nan 0.000 0.508 208 P HA 0.142 nan 4.420 nan 0.000 0.267 208 P C 1.445 178.249 177.300 -0.827 0.000 1.289 208 P CA 0.425 62.553 63.100 -1.621 0.000 0.866 208 P CB 0.428 30.831 31.700 -2.163 0.000 1.309 209 G N 0.904 109.312 108.800 -0.653 0.000 2.443 209 G HA2 -0.253 3.873 3.960 0.277 0.000 0.219 209 G HA3 -0.253 3.873 3.960 0.277 0.000 0.219 209 G C 1.644 176.473 174.900 -0.119 0.000 1.131 209 G CA 0.485 45.456 45.100 -0.216 0.000 0.775 209 G HN 0.238 nan 8.290 nan 0.000 0.547 210 Q N 1.176 120.902 119.800 -0.124 0.000 2.170 210 Q HA -0.072 4.434 4.340 0.277 0.000 0.203 210 Q C 1.370 177.373 176.000 0.005 0.000 0.976 210 Q CA 1.841 57.635 55.803 -0.015 0.000 0.858 210 Q CB 0.029 28.789 28.738 0.037 0.000 0.907 210 Q HN 0.614 nan 8.270 nan 0.000 0.433 211 D N -2.031 118.388 120.400 0.032 0.000 2.556 211 D HA 0.045 4.851 4.640 0.277 0.000 0.237 211 D C 0.041 176.364 176.300 0.039 0.000 1.296 211 D CA -0.432 53.597 54.000 0.048 0.000 0.807 211 D CB -0.784 40.068 40.800 0.085 0.000 1.084 211 D HN 0.315 nan 8.370 nan 0.000 0.510 212 I N 1.012 121.547 120.570 -0.058 0.000 2.710 212 I HA 0.038 4.374 4.170 0.277 0.000 0.286 212 I C -0.317 175.564 176.117 -0.393 0.000 1.181 212 I CA 0.106 61.290 61.300 -0.194 0.000 1.430 212 I CB 0.393 38.077 38.000 -0.526 0.000 1.367 212 I HN -0.268 nan 8.210 nan 0.000 0.577 213 K N 6.521 126.759 120.400 -0.270 0.000 2.156 213 K HA 0.239 4.725 4.320 0.277 0.000 0.271 213 K C -1.298 175.133 176.600 -0.282 0.000 0.995 213 K CA 0.031 56.164 56.287 -0.256 0.000 0.890 213 K CB 0.765 33.214 32.500 -0.085 0.000 1.073 213 K HN 0.481 nan 8.250 nan 0.000 0.454 214 W N 4.351 125.662 121.300 0.018 0.000 1.395 214 W HA 0.097 4.922 4.660 0.275 0.000 0.451 214 W C 0.138 176.644 176.519 -0.021 0.000 0.619 214 W CA -0.598 56.743 57.345 -0.008 0.000 2.212 214 W CB -0.444 29.004 29.460 -0.020 0.000 1.537 214 W HN 0.546 nan 8.180 nan 0.000 0.275 215 N N -1.318 117.458 118.700 0.126 0.000 2.629 215 N HA 0.323 5.229 4.740 0.277 0.000 0.279 215 N C 0.542 176.067 175.510 0.024 0.000 1.344 215 N CA -1.060 52.027 53.050 0.061 0.000 0.789 215 N CB 0.966 39.472 38.487 0.033 0.000 1.508 215 N HN -0.080 nan 8.380 nan 0.000 0.516 216 K N -0.168 120.231 120.400 -0.003 0.000 2.097 216 K HA -0.143 4.343 4.320 0.277 0.000 0.206 216 K C 1.309 177.900 176.600 -0.015 0.000 1.049 216 K CA 1.308 57.578 56.287 -0.028 0.000 0.933 216 K CB -0.041 32.445 32.500 -0.024 0.000 0.717 216 K HN 0.714 nan 8.250 nan 0.000 0.442 217 E N 1.113 121.309 120.200 -0.007 0.000 2.058 217 E HA -0.246 4.270 4.350 0.277 0.000 0.194 217 E C 1.330 177.931 176.600 0.002 0.000 0.997 217 E CA 1.689 58.083 56.400 -0.009 0.000 0.801 217 E CB 0.105 29.794 29.700 -0.019 0.000 0.746 217 E HN 0.171 nan 8.360 nan 0.000 0.450 218 D N -0.426 119.988 120.400 0.023 0.000 2.149 218 D HA -0.102 4.704 4.640 0.277 0.000 0.201 218 D C 1.976 178.347 176.300 0.119 0.000 0.972 218 D CA 0.598 54.657 54.000 0.099 0.000 0.835 218 D CB -0.193 40.686 40.800 0.131 0.000 0.966 218 D HN 0.133 nan 8.370 nan 0.000 0.476 219 R N 0.761 121.285 120.500 0.040 0.000 2.083 219 R HA -0.145 4.361 4.340 0.277 0.000 0.237 219 R C 1.238 177.544 176.300 0.010 0.000 1.137 219 R CA 1.699 57.795 56.100 -0.007 0.000 0.951 219 R CB 0.004 30.232 30.300 -0.120 0.000 0.851 219 R HN 0.027 nan 8.270 nan 0.000 0.434 220 D N 0.558 120.966 120.400 0.013 0.000 2.144 220 D HA -0.155 4.651 4.640 0.277 0.000 0.199 220 D C 1.884 178.199 176.300 0.025 0.000 0.984 220 D CA 0.757 54.776 54.000 0.033 0.000 0.834 220 D CB -0.165 40.650 40.800 0.026 0.000 0.955 220 D HN 0.167 nan 8.370 nan 0.000 0.465 221 L N 0.689 121.932 121.223 0.033 0.000 2.083 221 L HA -0.062 4.444 4.340 0.277 0.000 0.209 221 L C 2.367 179.296 176.870 0.098 0.000 1.083 221 L CA 1.031 55.891 54.840 0.033 0.000 0.752 221 L CB -1.030 41.011 42.059 -0.029 0.000 0.899 221 L HN 0.081 nan 8.230 nan 0.000 0.433 222 L N -1.627 119.686 121.223 0.149 0.000 2.017 222 L HA -0.218 4.288 4.340 0.277 0.000 0.208 222 L C 2.318 179.035 176.870 -0.255 0.000 1.073 222 L CA 1.012 55.857 54.840 0.009 0.000 0.745 222 L CB -0.153 41.818 42.059 -0.148 0.000 0.894 222 L HN 0.167 nan 8.230 nan 0.000 0.432 223 L N -0.221 120.885 121.223 -0.194 0.000 2.083 223 L HA -0.165 4.341 4.340 0.277 0.000 0.209 223 L C 2.865 179.648 176.870 -0.145 0.000 1.083 223 L CA 1.875 56.569 54.840 -0.243 0.000 0.752 223 L CB -1.841 40.168 42.059 -0.084 0.000 0.899 223 L HN 0.374 nan 8.230 nan 0.000 0.433 224 A N -0.128 122.668 122.820 -0.039 0.000 1.940 224 A HA -0.260 4.226 4.320 0.277 0.000 0.219 224 A C 2.369 179.979 177.584 0.044 0.000 1.176 224 A CA 1.973 54.015 52.037 0.008 0.000 0.631 224 A CB -0.366 18.645 19.000 0.017 0.000 0.814 224 A HN 0.270 nan 8.150 nan 0.000 0.446 225 K N -0.732 119.713 120.400 0.074 0.000 2.026 225 K HA -0.079 4.407 4.320 0.277 0.000 0.208 225 K C 1.530 178.290 176.600 0.267 0.000 1.048 225 K CA 1.432 57.818 56.287 0.165 0.000 0.929 225 K CB -0.666 31.999 32.500 0.275 0.000 0.713 225 K HN 0.295 nan 8.250 nan 0.000 0.439 226 F N 1.586 121.522 119.950 -0.024 0.000 2.120 226 F HA -0.134 4.559 4.527 0.277 0.000 0.300 226 F C 2.346 178.118 175.800 -0.046 0.000 1.095 226 F CA 1.659 59.579 58.000 -0.134 0.000 1.249 226 F CB -1.168 37.346 39.000 -0.810 0.000 0.995 226 F HN 0.261 nan 8.300 nan 0.000 0.480 227 E N 0.723 120.972 120.200 0.081 0.000 2.058 227 E HA -0.199 4.317 4.350 0.277 0.000 0.194 227 E C 2.093 178.841 176.600 0.248 0.000 0.997 227 E CA 1.590 58.120 56.400 0.217 0.000 0.801 227 E CB -0.124 29.653 29.700 0.127 0.000 0.746 227 E HN 0.021 nan 8.360 nan 0.000 0.450 228 K N -0.178 120.314 120.400 0.152 0.000 2.063 228 K HA -0.126 4.360 4.320 0.277 0.000 0.208 228 K C 2.006 178.651 176.600 0.075 0.000 1.048 228 K CA 1.455 57.798 56.287 0.094 0.000 0.928 228 K CB -0.416 32.109 32.500 0.043 0.000 0.713 228 K HN 0.315 nan 8.250 nan 0.000 0.442 229 M N -0.425 119.224 119.600 0.081 0.000 2.175 229 M HA -0.130 4.516 4.480 0.277 0.000 0.264 229 M C 2.196 178.587 176.300 0.152 0.000 1.063 229 M CA 1.234 56.525 55.300 -0.014 0.000 1.119 229 M CB -1.191 31.344 32.600 -0.108 0.000 1.377 229 M HN 0.104 nan 8.290 nan 0.000 0.415 230 Y N 1.578 122.055 120.300 0.294 0.000 2.181 230 Y HA -0.260 4.456 4.550 0.277 0.000 0.288 230 Y C 2.388 178.358 175.900 0.117 0.000 1.146 230 Y CA 1.923 60.210 58.100 0.311 0.000 1.164 230 Y CB -0.203 38.506 38.460 0.415 0.000 0.982 230 Y HN 0.325 nan 8.280 nan 0.000 0.515 231 Q N -0.177 119.754 119.800 0.219 0.000 2.226 231 Q HA -0.135 4.371 4.340 0.277 0.000 0.204 231 Q C 1.936 177.906 176.000 -0.051 0.000 0.975 231 Q CA 1.487 57.340 55.803 0.083 0.000 0.866 231 Q CB -0.129 28.667 28.738 0.096 0.000 0.915 231 Q HN 0.525 nan 8.270 nan 0.000 0.440 232 L N -1.226 119.940 121.223 -0.094 0.000 2.552 232 L HA 0.093 4.599 4.340 0.277 0.000 0.227 232 L C 1.158 177.887 176.870 -0.235 0.000 1.146 232 L CA 0.571 55.303 54.840 -0.179 0.000 0.858 232 L CB 0.006 41.918 42.059 -0.245 0.000 0.969 232 L HN 0.448 nan 8.230 nan 0.000 0.451 233 G N -0.563 108.091 108.800 -0.244 0.000 2.184 233 G HA2 -0.220 3.906 3.960 0.277 0.000 0.206 233 G HA3 -0.220 3.906 3.960 0.277 0.000 0.206 233 G C 0.218 174.946 174.900 -0.287 0.000 0.995 233 G CA -0.184 44.745 45.100 -0.285 0.000 0.651 233 G HN 0.037 nan 8.290 nan 0.000 0.511 234 V N 1.516 121.274 119.914 -0.260 0.000 2.655 234 V HA 0.397 4.683 4.120 0.277 0.000 0.300 234 V C 1.357 177.367 176.094 -0.140 0.000 1.044 234 V CA 0.360 62.518 62.300 -0.236 0.000 1.095 234 V CB 1.322 32.966 31.823 -0.299 0.000 0.952 234 V HN 0.347 nan 8.190 nan 0.000 0.485 235 R N 1.717 122.139 120.500 -0.130 0.000 2.541 235 R HA 0.308 4.814 4.340 0.277 0.000 0.332 235 R C -0.117 176.237 176.300 0.090 0.000 0.951 235 R CA -0.035 56.114 56.100 0.082 0.000 1.136 235 R CB 1.031 31.363 30.300 0.052 0.000 1.449 235 R HN 0.628 nan 8.270 nan 0.000 0.531 236 S N 0.273 115.866 115.700 -0.178 0.000 2.568 236 S HA 0.757 5.393 4.470 0.277 0.000 0.293 236 S C -1.122 173.179 174.600 -0.498 0.000 1.089 236 S CA -0.386 57.750 58.200 -0.106 0.000 0.945 236 S CB 1.824 64.996 63.200 -0.047 0.000 1.077 236 S HN 0.025 nan 8.310 nan 0.000 0.485 237 F N 0.616 120.549 119.950 -0.029 0.000 2.601 237 F HA 0.767 5.463 4.527 0.281 0.000 0.309 237 F C 0.010 175.740 175.800 -0.118 0.000 1.089 237 F CA -0.658 57.243 58.000 -0.165 0.000 0.940 237 F CB 1.900 40.652 39.000 -0.414 0.000 1.273 237 F HN 0.709 nan 8.300 nan 0.000 0.450 238 A N 1.290 124.109 122.820 -0.001 0.000 2.498 238 A HA 0.897 5.383 4.320 0.277 0.000 0.298 238 A C -1.964 175.610 177.584 -0.016 0.000 1.075 238 A CA -0.783 51.230 52.037 -0.040 0.000 0.714 238 A CB 1.764 20.612 19.000 -0.254 0.000 1.299 238 A HN 0.515 nan 8.150 nan 0.000 0.407 239 V N 2.116 122.073 119.914 0.073 0.000 2.444 239 V HA 0.512 4.798 4.120 0.277 0.000 0.294 239 V C -1.369 174.748 176.094 0.039 0.000 1.022 239 V CA -0.422 61.849 62.300 -0.050 0.000 0.850 239 V CB 1.121 32.949 31.823 0.008 0.000 0.992 239 V HN 0.676 nan 8.190 nan 0.000 0.426 240 F N 4.569 124.330 119.950 -0.315 0.000 2.415 240 F HA 0.590 5.279 4.527 0.270 0.000 0.348 240 F C 0.164 175.684 175.800 -0.466 0.000 1.119 240 F CA -1.655 56.233 58.000 -0.187 0.000 1.069 240 F CB 1.359 40.397 39.000 0.062 0.000 1.124 240 F HN 0.401 nan 8.300 nan 0.000 0.472 241 F N 1.300 121.349 119.950 0.165 0.000 2.855 241 F HA 0.168 4.861 4.527 0.277 0.000 0.317 241 F C 0.282 176.135 175.800 0.088 0.000 1.169 241 F CA -0.963 57.071 58.000 0.057 0.000 1.299 241 F CB -0.098 38.985 39.000 0.137 0.000 0.962 241 F HN 0.244 nan 8.300 nan 0.000 0.506 242 D N -1.295 119.219 120.400 0.188 0.000 2.264 242 D HA 0.146 4.952 4.640 0.277 0.000 0.249 242 D C 0.063 176.541 176.300 0.297 0.000 1.070 242 D CA -0.304 53.781 54.000 0.142 0.000 0.912 242 D CB 1.118 41.651 40.800 -0.444 0.000 1.193 242 D HN 0.007 nan 8.370 nan 0.000 0.427 243 D N -0.335 120.311 120.400 0.409 0.000 2.746 243 D HA -0.143 4.663 4.640 0.277 0.000 0.236 243 D C -0.158 176.301 176.300 0.265 0.000 1.129 243 D CA 0.692 54.924 54.000 0.387 0.000 0.691 243 D CB -1.524 39.506 40.800 0.382 0.000 1.077 243 D HN 0.667 nan 8.370 nan 0.000 0.432 244 I N -3.651 117.034 120.570 0.192 0.000 3.108 244 I HA 0.791 5.127 4.170 0.277 0.000 0.312 244 I C 0.104 176.259 176.117 0.064 0.000 1.095 244 I CA -0.832 60.539 61.300 0.118 0.000 1.000 244 I CB 2.535 40.589 38.000 0.090 0.000 1.229 244 I HN -0.032 nan 8.210 nan 0.000 0.454 245 S N 1.246 116.972 115.700 0.043 0.000 2.667 245 S HA 0.999 5.635 4.470 0.277 0.000 0.292 245 S C 0.038 174.658 174.600 0.034 0.000 1.126 245 S CA -0.244 57.967 58.200 0.018 0.000 0.881 245 S CB 1.158 64.354 63.200 -0.007 0.000 1.132 245 S HN 2.226 nan 8.310 nan 0.000 0.492 246 G N 1.001 109.821 108.800 0.032 0.000 2.615 246 G HA2 -0.157 3.969 3.960 0.277 0.000 0.218 246 G HA3 -0.157 3.969 3.960 0.277 0.000 0.218 246 G C 0.297 175.251 174.900 0.089 0.000 1.339 246 G CA 0.194 45.321 45.100 0.046 0.000 0.884 246 G HN 0.696 nan 8.290 nan 0.000 0.559 247 E N 0.379 120.639 120.200 0.101 0.000 2.130 247 E HA -0.157 4.359 4.350 0.277 0.000 0.196 247 E C 2.675 179.501 176.600 0.376 0.000 0.998 247 E CA 1.867 58.391 56.400 0.207 0.000 0.806 247 E CB -0.857 28.938 29.700 0.159 0.000 0.738 247 E HN 1.008 nan 8.360 nan 0.000 0.459 248 G N 1.252 110.172 108.800 0.200 0.000 2.527 248 G HA2 -0.246 3.880 3.960 0.277 0.000 0.219 248 G HA3 -0.246 3.880 3.960 0.277 0.000 0.219 248 G C 1.569 176.678 174.900 0.347 0.000 1.117 248 G CA 1.476 46.739 45.100 0.271 0.000 0.759 248 G HN 0.406 nan 8.290 nan 0.000 0.556 249 T N -1.780 112.917 114.554 0.240 0.000 3.148 249 T HA 0.089 4.605 4.350 0.277 0.000 0.253 249 T C 0.966 175.783 174.700 0.196 0.000 1.134 249 T CA -0.356 61.854 62.100 0.183 0.000 1.051 249 T CB -0.108 68.822 68.868 0.104 0.000 0.959 249 T HN 0.150 nan 8.240 nan 0.000 0.525 250 N N 3.338 122.130 118.700 0.152 0.000 2.416 250 N HA 0.083 4.989 4.740 0.277 0.000 0.265 250 N C -1.450 173.936 175.510 -0.207 0.000 1.195 250 N CA -1.763 51.270 53.050 -0.029 0.000 0.943 250 N CB 1.657 40.056 38.487 -0.148 0.000 1.115 250 N HN 0.123 nan 8.380 nan 0.000 0.481 251 P HA -0.143 nan 4.420 nan 0.000 0.217 251 P C 1.035 178.084 177.300 -0.418 0.000 1.151 251 P CA 1.071 63.896 63.100 -0.459 0.000 0.828 251 P CB 0.503 31.813 31.700 -0.649 0.000 0.788 252 Q N 0.434 120.023 119.800 -0.352 0.000 2.079 252 Q HA -0.116 4.390 4.340 0.277 0.000 0.200 252 Q C 2.159 177.900 176.000 -0.433 0.000 0.974 252 Q CA 1.714 57.321 55.803 -0.326 0.000 0.840 252 Q CB -0.572 28.012 28.738 -0.257 0.000 0.898 252 Q HN 0.006 nan 8.270 nan 0.000 0.430 253 K N 0.047 120.044 120.400 -0.672 0.000 2.103 253 K HA -0.074 4.412 4.320 0.277 0.000 0.204 253 K C 2.098 178.111 176.600 -0.979 0.000 1.052 253 K CA 1.133 56.762 56.287 -1.097 0.000 0.945 253 K CB -0.129 31.015 32.500 -2.259 0.000 0.722 253 K HN 0.431 nan 8.250 nan 0.000 0.443 254 Q N 0.337 119.662 119.800 -0.792 0.000 2.030 254 Q HA -0.135 4.371 4.340 0.277 0.000 0.204 254 Q C 2.178 178.047 176.000 -0.218 0.000 0.986 254 Q CA 1.831 57.324 55.803 -0.517 0.000 0.843 254 Q CB -0.293 28.018 28.738 -0.711 0.000 0.904 254 Q HN 0.325 nan 8.270 nan 0.000 0.420 255 A N 1.122 123.801 122.820 -0.235 0.000 1.902 255 A HA -0.248 4.238 4.320 0.277 0.000 0.217 255 A C 1.844 179.390 177.584 -0.062 0.000 1.181 255 A CA 1.671 53.637 52.037 -0.118 0.000 0.623 255 A CB -0.475 18.436 19.000 -0.150 0.000 0.818 255 A HN 0.356 nan 8.150 nan 0.000 0.443 256 E N -0.893 119.235 120.200 -0.121 0.000 2.077 256 E HA -0.178 4.338 4.350 0.277 0.000 0.193 256 E C 1.943 178.566 176.600 0.038 0.000 0.989 256 E CA 1.198 57.562 56.400 -0.060 0.000 0.800 256 E CB -0.220 29.401 29.700 -0.132 0.000 0.746 256 E HN 0.528 nan 8.360 nan 0.000 0.452 257 L N 0.776 122.024 121.223 0.042 0.000 1.994 257 L HA -0.174 4.332 4.340 0.277 0.000 0.208 257 L C 2.014 179.019 176.870 0.225 0.000 1.071 257 L CA 1.491 56.436 54.840 0.176 0.000 0.745 257 L CB -0.382 41.861 42.059 0.307 0.000 0.892 257 L HN 0.155 nan 8.230 nan 0.000 0.431 258 L N 0.087 121.430 121.223 0.200 0.000 2.079 258 L HA -0.213 4.293 4.340 0.277 0.000 0.210 258 L C 2.313 179.290 176.870 0.179 0.000 1.081 258 L CA 1.553 56.519 54.840 0.210 0.000 0.752 258 L CB -1.669 40.510 42.059 0.199 0.000 0.896 258 L HN 0.454 nan 8.230 nan 0.000 0.433 259 N N -1.091 117.693 118.700 0.141 0.000 2.216 259 N HA -0.213 4.693 4.740 0.277 0.000 0.183 259 N C 1.776 177.375 175.510 0.149 0.000 1.017 259 N CA 0.855 53.976 53.050 0.119 0.000 0.861 259 N CB -0.420 38.114 38.487 0.077 0.000 0.986 259 N HN 0.335 nan 8.380 nan 0.000 0.428 260 Y N 1.658 121.995 120.300 0.062 0.000 2.114 260 Y HA -0.078 4.637 4.550 0.276 0.000 0.284 260 Y C 2.148 178.106 175.900 0.096 0.000 1.143 260 Y CA 1.364 59.502 58.100 0.065 0.000 1.135 260 Y CB -0.403 38.090 38.460 0.054 0.000 0.980 260 Y HN -0.068 nan 8.280 nan 0.000 0.499 261 I N 0.207 120.907 120.570 0.218 0.000 2.163 261 I HA -0.333 4.003 4.170 0.277 0.000 0.243 261 I C 2.252 178.474 176.117 0.174 0.000 1.085 261 I CA 1.917 63.332 61.300 0.191 0.000 1.347 261 I CB -0.522 37.646 38.000 0.280 0.000 1.044 261 I HN 0.266 nan 8.210 nan 0.000 0.408 262 D N 0.811 121.300 120.400 0.148 0.000 2.104 262 D HA -0.210 4.596 4.640 0.277 0.000 0.194 262 D C 2.088 178.413 176.300 0.042 0.000 0.994 262 D CA 1.691 55.758 54.000 0.111 0.000 0.830 262 D CB 0.057 40.918 40.800 0.101 0.000 0.959 262 D HN 0.351 nan 8.370 nan 0.000 0.452 263 E N -0.962 119.235 120.200 -0.005 0.000 2.122 263 E HA -0.032 4.484 4.350 0.277 0.000 0.190 263 E C 1.695 178.231 176.600 -0.107 0.000 0.977 263 E CA 0.649 57.021 56.400 -0.047 0.000 0.820 263 E CB 0.210 29.889 29.700 -0.035 0.000 0.770 263 E HN 0.006 nan 8.360 nan 0.000 0.462 264 K N -1.036 119.232 120.400 -0.219 0.000 2.393 264 K HA 0.119 4.605 4.320 0.277 0.000 0.193 264 K C 0.528 177.088 176.600 -0.067 0.000 1.026 264 K CA 0.258 56.389 56.287 -0.260 0.000 1.064 264 K CB 0.359 32.451 32.500 -0.680 0.000 0.833 264 K HN 0.060 nan 8.250 nan 0.000 0.521 265 F N -1.363 118.477 119.950 -0.184 0.000 1.901 265 F HA 0.304 4.996 4.527 0.275 0.000 0.239 265 F C 1.646 177.377 175.800 -0.115 0.000 1.133 265 F CA 0.422 58.331 58.000 -0.153 0.000 1.271 265 F CB -0.435 38.491 39.000 -0.123 0.000 1.652 265 F HN -0.159 nan 8.300 nan 0.000 0.543 266 A N 0.450 123.244 122.820 -0.043 0.000 1.908 266 A HA -0.202 4.284 4.320 0.277 0.000 0.218 266 A C 1.845 179.364 177.584 -0.108 0.000 1.181 266 A CA 2.098 54.071 52.037 -0.108 0.000 0.627 266 A CB -0.916 18.134 19.000 0.085 0.000 0.818 266 A HN 0.668 nan 8.150 nan 0.000 0.445 267 Q N -1.004 118.758 119.800 -0.063 0.000 2.403 267 Q HA 0.154 4.660 4.340 0.277 0.000 0.203 267 Q C 1.261 177.215 176.000 -0.077 0.000 0.932 267 Q CA 0.349 56.123 55.803 -0.049 0.000 0.945 267 Q CB 0.389 29.114 28.738 -0.021 0.000 1.045 267 Q HN 0.493 nan 8.270 nan 0.000 0.511 268 V N -0.283 119.552 119.914 -0.132 0.000 3.212 268 V HA 0.025 4.311 4.120 0.277 0.000 0.244 268 V C 0.663 176.652 176.094 -0.174 0.000 1.151 268 V CA 0.485 62.706 62.300 -0.132 0.000 1.119 268 V CB 0.396 32.148 31.823 -0.118 0.000 0.838 268 V HN 0.082 nan 8.190 nan 0.000 0.470 269 K N 1.533 121.763 120.400 -0.283 0.000 2.219 269 K HA 0.194 4.680 4.320 0.277 0.000 0.258 269 K C -1.397 175.139 176.600 -0.106 0.000 1.008 269 K CA -1.662 54.459 56.287 -0.276 0.000 0.928 269 K CB 0.208 32.428 32.500 -0.466 0.000 0.983 269 K HN 0.050 nan 8.250 nan 0.000 0.484 270 P HA -0.064 nan 4.420 nan 0.000 0.229 270 P C -0.177 177.146 177.300 0.037 0.000 1.160 270 P CA 1.099 64.207 63.100 0.013 0.000 0.777 270 P CB 0.323 32.047 31.700 0.039 0.000 0.814 271 D N -2.207 118.234 120.400 0.069 0.000 2.783 271 D HA 0.108 4.914 4.640 0.277 0.000 0.306 271 D C 0.001 176.370 176.300 0.116 0.000 1.633 271 D CA -0.416 53.636 54.000 0.086 0.000 0.796 271 D CB -1.095 39.755 40.800 0.084 0.000 1.230 271 D HN 0.104 nan 8.370 nan 0.000 0.441 272 I N 0.831 121.462 120.570 0.102 0.000 2.638 272 I HA 0.150 4.486 4.170 0.277 0.000 0.286 272 I C 0.966 177.159 176.117 0.126 0.000 1.088 272 I CA -0.213 61.172 61.300 0.141 0.000 1.397 272 I CB 0.843 38.890 38.000 0.079 0.000 1.414 272 I HN -0.027 nan 8.210 nan 0.000 0.566 273 N N 3.586 122.376 118.700 0.151 0.000 2.831 273 N HA 0.107 5.013 4.740 0.277 0.000 0.233 273 N C -0.275 175.314 175.510 0.131 0.000 1.031 273 N CA 0.152 53.285 53.050 0.139 0.000 1.198 273 N CB 0.079 38.649 38.487 0.139 0.000 1.595 273 N HN 0.556 nan 8.380 nan 0.000 0.588 274 Q N 0.770 120.623 119.800 0.088 0.000 2.243 274 Q HA 0.484 4.990 4.340 0.277 0.000 0.252 274 Q C -1.054 174.995 176.000 0.081 0.000 0.909 274 Q CA -0.427 55.382 55.803 0.009 0.000 0.922 274 Q CB 2.261 30.903 28.738 -0.160 0.000 1.215 274 Q HN 0.143 nan 8.270 nan 0.000 0.427 275 L N 2.891 124.164 121.223 0.083 0.000 2.376 275 L HA 0.539 5.045 4.340 0.277 0.000 0.275 275 L C -1.581 175.331 176.870 0.070 0.000 0.987 275 L CA -0.598 54.320 54.840 0.129 0.000 0.828 275 L CB 1.927 44.095 42.059 0.181 0.000 1.249 275 L HN 0.424 nan 8.230 nan 0.000 0.409 276 V N 5.830 125.775 119.914 0.051 0.000 2.709 276 V HA 0.672 4.958 4.120 0.277 0.000 0.308 276 V C -0.193 175.972 176.094 0.119 0.000 1.062 276 V CA -0.523 61.767 62.300 -0.017 0.000 0.901 276 V CB 1.931 33.628 31.823 -0.209 0.000 1.003 276 V HN 0.911 nan 8.190 nan 0.000 0.425 277 M N 4.542 124.238 119.600 0.161 0.000 2.591 277 M HA 0.880 5.526 4.480 0.277 0.000 0.306 277 M C -0.573 175.901 176.300 0.290 0.000 1.190 277 M CA -0.405 55.068 55.300 0.288 0.000 0.889 277 M CB 1.729 34.522 32.600 0.322 0.000 1.728 277 M HN 0.672 nan 8.290 nan 0.000 0.458 278 C N 1.090 120.598 119.300 0.345 0.000 2.417 278 C HA 0.997 5.623 4.460 0.277 0.000 0.324 278 C C -2.495 172.665 174.990 0.282 0.000 1.240 278 C CA -1.558 57.557 59.018 0.162 0.000 1.632 278 C CB 1.754 29.344 27.740 -0.250 0.000 2.241 278 C HN 0.842 nan 8.230 nan 0.000 0.499 279 P HA 0.320 nan 4.420 nan 0.000 0.279 279 P C 0.514 178.039 177.300 0.377 0.000 1.276 279 P CA 0.041 63.411 63.100 0.451 0.000 0.801 279 P CB 0.930 32.965 31.700 0.557 0.000 1.127 280 T N -0.871 113.849 114.554 0.275 0.000 2.770 280 T HA -0.064 4.452 4.350 0.277 0.000 0.263 280 T C 0.496 175.163 174.700 -0.056 0.000 1.039 280 T CA 1.281 63.429 62.100 0.079 0.000 1.142 280 T CB -0.431 68.361 68.868 -0.126 0.000 0.868 280 T HN 0.490 nan 8.240 nan 0.000 0.435 281 E N 1.796 121.785 120.200 -0.351 0.000 1.865 281 E HA 0.097 4.613 4.350 0.277 0.000 0.269 281 E C -0.327 176.373 176.600 0.166 0.000 1.177 281 E CA -0.222 56.111 56.400 -0.111 0.000 0.932 281 E CB 0.134 29.789 29.700 -0.074 0.000 1.066 281 E HN 0.713 nan 8.360 nan 0.000 0.405 282 Y N 1.585 121.853 120.300 -0.053 0.000 2.531 282 Y HA 0.272 4.991 4.550 0.282 0.000 0.249 282 Y C -0.242 175.079 175.900 -0.966 0.000 1.168 282 Y CA -1.085 56.869 58.100 -0.243 0.000 1.226 282 Y CB -0.110 38.134 38.460 -0.359 0.000 1.177 282 Y HN 0.287 nan 8.280 nan 0.000 0.527 283 N N -1.692 116.287 118.700 -1.202 0.000 2.823 283 N HA 0.172 5.078 4.740 0.277 0.000 0.251 283 N C -0.055 174.953 175.510 -0.837 0.000 1.392 283 N CA -1.079 51.041 53.050 -1.550 0.000 0.864 283 N CB 1.393 39.277 38.487 -1.005 0.000 1.481 283 N HN -0.040 nan 8.380 nan 0.000 0.508 284 K N -0.069 120.070 120.400 -0.435 0.000 2.097 284 K HA -0.138 4.348 4.320 0.277 0.000 0.206 284 K C 1.436 177.949 176.600 -0.145 0.000 1.049 284 K CA 1.934 58.128 56.287 -0.154 0.000 0.933 284 K CB -0.232 32.021 32.500 -0.412 0.000 0.717 284 K HN 0.670 nan 8.250 nan 0.000 0.442 285 S N -0.571 115.031 115.700 -0.163 0.000 2.399 285 S HA -0.140 4.496 4.470 0.277 0.000 0.231 285 S C 1.151 175.831 174.600 0.132 0.000 1.022 285 S CA 0.599 58.782 58.200 -0.028 0.000 0.983 285 S CB -0.385 62.805 63.200 -0.017 0.000 0.803 285 S HN 0.413 nan 8.310 nan 0.000 0.480 286 W N 2.679 123.816 121.300 -0.272 0.000 3.325 286 W HA 0.569 5.401 4.660 0.287 0.000 0.370 286 W C 0.087 176.488 176.519 -0.197 0.000 1.169 286 W CA -1.382 55.792 57.345 -0.286 0.000 1.874 286 W CB -0.970 28.189 29.460 -0.501 0.000 1.076 286 W HN 0.143 nan 8.180 nan 0.000 0.684 287 S N 1.091 116.864 115.700 0.123 0.000 2.501 287 S HA 0.212 4.848 4.470 0.277 0.000 0.301 287 S C -0.298 174.398 174.600 0.160 0.000 1.096 287 S CA -0.629 57.686 58.200 0.192 0.000 1.063 287 S CB 1.415 64.866 63.200 0.419 0.000 1.042 287 S HN -0.000 nan 8.310 nan 0.000 0.494 288 N N 3.488 122.276 118.700 0.147 0.000 2.437 288 N HA 0.269 5.175 4.740 0.277 0.000 0.243 288 N C -1.511 174.101 175.510 0.170 0.000 1.041 288 N CA -2.168 50.952 53.050 0.117 0.000 0.940 288 N CB 1.046 39.576 38.487 0.071 0.000 1.133 288 N HN 0.228 nan 8.380 nan 0.000 0.506 289 P HA -0.107 nan 4.420 nan 0.000 0.220 289 P C 0.005 177.384 177.300 0.132 0.000 1.144 289 P CA 1.169 64.399 63.100 0.216 0.000 0.800 289 P CB 0.475 32.294 31.700 0.198 0.000 0.772 290 N N -0.631 118.127 118.700 0.096 0.000 2.214 290 N HA 0.145 5.051 4.740 0.277 0.000 0.214 290 N C 0.884 176.426 175.510 0.053 0.000 1.132 290 N CA 0.210 53.297 53.050 0.063 0.000 0.856 290 N CB 0.951 39.467 38.487 0.048 0.000 1.020 290 N HN 0.147 nan 8.380 nan 0.000 0.509 291 G N -0.270 108.573 108.800 0.071 0.000 2.568 291 G HA2 0.311 4.437 3.960 0.277 0.000 0.313 291 G HA3 0.311 4.437 3.960 0.277 0.000 0.313 291 G C 0.099 175.045 174.900 0.077 0.000 1.227 291 G CA -0.554 44.589 45.100 0.071 0.000 0.979 291 G HN 0.082 nan 8.290 nan 0.000 0.486 292 N N -0.976 117.766 118.700 0.071 0.000 2.230 292 N HA 0.074 4.980 4.740 0.277 0.000 0.202 292 N C 0.856 176.391 175.510 0.042 0.000 1.119 292 N CA -0.321 52.750 53.050 0.035 0.000 0.851 292 N CB 0.451 38.937 38.487 -0.002 0.000 0.990 292 N HN 0.562 nan 8.380 nan 0.000 0.497 293 Y N 1.415 121.717 120.300 0.003 0.000 2.114 293 Y HA -0.116 4.599 4.550 0.276 0.000 0.284 293 Y C 1.675 177.579 175.900 0.006 0.000 1.143 293 Y CA 1.548 59.651 58.100 0.006 0.000 1.135 293 Y CB 0.018 38.499 38.460 0.035 0.000 0.980 293 Y HN 0.015 nan 8.280 nan 0.000 0.499 294 L N -0.575 120.769 121.223 0.203 0.000 2.179 294 L HA -0.126 4.380 4.340 0.277 0.000 0.208 294 L C 2.556 179.387 176.870 -0.064 0.000 1.096 294 L CA 1.465 56.366 54.840 0.101 0.000 0.779 294 L CB -0.844 41.304 42.059 0.149 0.000 0.922 294 L HN 0.374 nan 8.230 nan 0.000 0.443 295 T N -4.626 109.886 114.554 -0.070 0.000 2.867 295 T HA -0.151 4.365 4.350 0.277 0.000 0.268 295 T C 1.809 176.440 174.700 -0.115 0.000 1.057 295 T CA 1.645 63.685 62.100 -0.099 0.000 1.136 295 T CB -0.574 68.242 68.868 -0.086 0.000 0.874 295 T HN 0.147 nan 8.240 nan 0.000 0.466 296 T N 2.086 116.554 114.554 -0.143 0.000 2.777 296 T HA 0.181 4.698 4.350 0.277 0.000 0.266 296 T C 1.895 176.474 174.700 -0.203 0.000 1.040 296 T CA 0.882 62.878 62.100 -0.173 0.000 1.141 296 T CB -0.438 68.306 68.868 -0.207 0.000 0.868 296 T HN 0.257 nan 8.240 nan 0.000 0.444 297 L N 0.598 121.661 121.223 -0.267 0.000 2.017 297 L HA -0.049 4.457 4.340 0.277 0.000 0.208 297 L C 2.991 179.791 176.870 -0.117 0.000 1.073 297 L CA 1.512 56.221 54.840 -0.219 0.000 0.745 297 L CB -1.008 40.909 42.059 -0.237 0.000 0.894 297 L HN 0.374 nan 8.230 nan 0.000 0.432 298 G N -0.563 108.175 108.800 -0.104 0.000 2.418 298 G HA2 -0.260 3.866 3.960 0.277 0.000 0.217 298 G HA3 -0.260 3.866 3.960 0.277 0.000 0.217 298 G C 1.118 175.977 174.900 -0.069 0.000 1.158 298 G CA 0.914 45.967 45.100 -0.078 0.000 0.771 298 G HN 0.316 nan 8.290 nan 0.000 0.545 299 D N 0.181 120.532 120.400 -0.080 0.000 2.137 299 D HA 0.008 4.814 4.640 0.277 0.000 0.202 299 D C 2.430 178.694 176.300 -0.060 0.000 0.970 299 D CA 0.747 54.706 54.000 -0.067 0.000 0.837 299 D CB 0.036 40.792 40.800 -0.073 0.000 0.981 299 D HN 0.125 nan 8.370 nan 0.000 0.475 300 K N 0.054 120.410 120.400 -0.074 0.000 2.284 300 K HA 0.163 4.649 4.320 0.277 0.000 0.198 300 K C 0.872 177.445 176.600 -0.045 0.000 1.048 300 K CA -0.114 56.133 56.287 -0.068 0.000 0.987 300 K CB 0.195 32.636 32.500 -0.098 0.000 0.800 300 K HN 0.174 nan 8.250 nan 0.000 0.486 301 L N 3.266 124.465 121.223 -0.040 0.000 2.462 301 L HA 0.015 4.521 4.340 0.277 0.000 0.272 301 L C 0.117 176.995 176.870 0.013 0.000 1.166 301 L CA -0.313 54.524 54.840 -0.005 0.000 0.880 301 L CB 0.136 42.201 42.059 0.010 0.000 1.142 301 L HN 0.071 nan 8.230 nan 0.000 0.473 302 N N 5.823 124.540 118.700 0.029 0.000 2.294 302 N HA -0.050 4.856 4.740 0.277 0.000 0.248 302 N C -1.481 174.056 175.510 0.045 0.000 1.242 302 N CA -0.939 52.133 53.050 0.036 0.000 0.848 302 N CB 0.324 38.841 38.487 0.049 0.000 1.084 302 N HN 0.387 nan 8.380 nan 0.000 0.457 303 P HA -0.065 nan 4.420 nan 0.000 0.229 303 P C 0.656 177.997 177.300 0.069 0.000 1.160 303 P CA 0.884 64.011 63.100 0.046 0.000 0.777 303 P CB 0.153 31.873 31.700 0.034 0.000 0.814 304 S N -1.059 114.686 115.700 0.075 0.000 2.527 304 S HA 0.052 4.688 4.470 0.277 0.000 0.222 304 S C 0.970 175.638 174.600 0.113 0.000 0.985 304 S CA -0.143 58.116 58.200 0.098 0.000 0.921 304 S CB -0.980 62.274 63.200 0.091 0.000 0.772 304 S HN 0.043 nan 8.310 nan 0.000 0.529 305 I N 2.925 123.558 120.570 0.103 0.000 2.441 305 I HA 0.185 4.521 4.170 0.277 0.000 0.287 305 I C 0.140 176.326 176.117 0.116 0.000 1.049 305 I CA -0.530 60.837 61.300 0.110 0.000 1.381 305 I CB 0.763 38.829 38.000 0.111 0.000 1.409 305 I HN 0.157 nan 8.210 nan 0.000 0.523 306 Q N 6.513 126.377 119.800 0.106 0.000 2.299 306 Q HA 0.531 5.037 4.340 0.277 0.000 0.246 306 Q C -0.557 175.507 176.000 0.107 0.000 0.935 306 Q CA -0.217 55.661 55.803 0.125 0.000 0.887 306 Q CB 2.154 30.937 28.738 0.075 0.000 1.223 306 Q HN 0.525 nan 8.270 nan 0.000 0.439 307 I N 2.338 123.006 120.570 0.164 0.000 2.418 307 I HA 0.324 4.660 4.170 0.277 0.000 0.287 307 I C -0.025 176.246 176.117 0.257 0.000 1.008 307 I CA -0.427 60.983 61.300 0.184 0.000 1.104 307 I CB 1.386 39.484 38.000 0.164 0.000 1.264 307 I HN 0.343 nan 8.210 nan 0.000 0.438 308 M N 5.276 125.029 119.600 0.256 0.000 2.291 308 M HA 0.400 5.046 4.480 0.277 0.000 0.324 308 M C -0.897 175.669 176.300 0.444 0.000 1.148 308 M CA -0.090 55.408 55.300 0.329 0.000 1.104 308 M CB 1.934 34.682 32.600 0.246 0.000 1.483 308 M HN 0.582 nan 8.290 nan 0.000 0.467 309 W N 0.825 122.222 121.300 0.163 0.000 3.707 309 W HA 0.177 5.003 4.660 0.276 0.000 0.294 309 W C -0.452 176.130 176.519 0.105 0.000 1.248 309 W CA -0.557 56.868 57.345 0.133 0.000 1.217 309 W CB 1.717 31.278 29.460 0.168 0.000 1.306 309 W HN 0.802 nan 8.180 nan 0.000 0.532 310 T N 1.121 115.400 114.554 -0.458 0.000 3.069 310 T HA 0.488 5.004 4.350 0.277 0.000 0.252 310 T C 0.771 175.238 174.700 -0.389 0.000 1.053 310 T CA 1.060 62.948 62.100 -0.354 0.000 0.964 310 T CB 0.686 69.292 68.868 -0.436 0.000 1.005 310 T HN 1.322 nan 8.240 nan 0.000 0.532 311 G N 1.239 109.576 108.800 -0.770 0.000 2.378 311 G HA2 -0.133 3.993 3.960 0.277 0.000 0.198 311 G HA3 -0.133 3.993 3.960 0.277 0.000 0.198 311 G C -0.442 174.252 174.900 -0.344 0.000 1.223 311 G CA 0.052 44.994 45.100 -0.264 0.000 1.088 311 G HN 0.166 nan 8.290 nan 0.000 0.530 312 D N 1.009 121.328 120.400 -0.136 0.000 2.323 312 D HA 0.199 5.005 4.640 0.277 0.000 0.209 312 D C 1.489 177.637 176.300 -0.253 0.000 0.973 312 D CA 0.966 54.871 54.000 -0.157 0.000 0.874 312 D CB 0.202 40.952 40.800 -0.085 0.000 0.930 312 D HN 0.427 nan 8.370 nan 0.000 0.521 313 R N -1.003 119.316 120.500 -0.302 0.000 2.869 313 R HA 0.350 4.856 4.340 0.277 0.000 0.263 313 R C 0.993 176.970 176.300 -0.539 0.000 1.066 313 R CA -0.742 55.142 56.100 -0.360 0.000 0.960 313 R CB 1.522 31.695 30.300 -0.211 0.000 1.221 313 R HN -0.276 nan 8.270 nan 0.000 0.474 314 V N 1.124 120.619 119.914 -0.699 0.000 2.332 314 V HA -0.122 4.164 4.120 0.277 0.000 0.248 314 V C 0.997 176.668 176.094 -0.705 0.000 1.055 314 V CA 1.540 63.348 62.300 -0.821 0.000 1.038 314 V CB -0.161 31.022 31.823 -1.067 0.000 0.651 314 V HN 0.447 nan 8.190 nan 0.000 0.450 315 I N 1.265 121.415 120.570 -0.701 0.000 2.390 315 I HA 0.523 4.859 4.170 0.277 0.000 0.283 315 I C -0.151 175.706 176.117 -0.433 0.000 1.016 315 I CA 0.270 61.167 61.300 -0.671 0.000 1.151 315 I CB 0.613 38.145 38.000 -0.781 0.000 1.293 315 I HN 0.363 nan 8.210 nan 0.000 0.458 316 S N 4.383 119.909 115.700 -0.290 0.000 2.588 316 S HA 0.620 5.256 4.470 0.277 0.000 0.269 316 S C -1.353 173.411 174.600 0.274 0.000 1.157 316 S CA -0.986 57.231 58.200 0.029 0.000 0.824 316 S CB 2.784 65.971 63.200 -0.022 0.000 1.126 316 S HN 0.389 nan 8.310 nan 0.000 0.464 317 D N 0.970 121.572 120.400 0.337 0.000 2.277 317 D HA 0.463 5.269 4.640 0.277 0.000 0.250 317 D C -0.154 176.235 176.300 0.148 0.000 1.032 317 D CA -0.448 53.735 54.000 0.305 0.000 0.947 317 D CB 0.837 41.746 40.800 0.182 0.000 1.159 317 D HN 0.488 nan 8.370 nan 0.000 0.460 318 I N 1.581 122.194 120.570 0.072 0.000 2.325 318 I HA 0.132 4.469 4.170 0.277 0.000 0.291 318 I C 1.050 177.229 176.117 0.102 0.000 1.019 318 I CA -0.326 61.052 61.300 0.130 0.000 1.302 318 I CB 0.140 38.256 38.000 0.193 0.000 1.401 318 I HN 0.292 nan 8.210 nan 0.000 0.485 319 T N 2.805 117.434 114.554 0.125 0.000 2.950 319 T HA 0.443 4.959 4.350 0.277 0.000 0.288 319 T C 1.097 175.866 174.700 0.115 0.000 1.035 319 T CA -0.781 61.381 62.100 0.102 0.000 1.028 319 T CB 2.285 71.208 68.868 0.091 0.000 1.109 319 T HN 0.633 nan 8.240 nan 0.000 0.514 320 R N 0.325 120.880 120.500 0.093 0.000 2.080 320 R HA -0.143 4.363 4.340 0.277 0.000 0.236 320 R C 1.372 177.737 176.300 0.107 0.000 1.137 320 R CA 2.149 58.303 56.100 0.090 0.000 0.943 320 R CB -0.554 29.787 30.300 0.069 0.000 0.846 320 R HN 0.723 nan 8.270 nan 0.000 0.431 321 D N -0.652 119.812 120.400 0.107 0.000 2.144 321 D HA -0.096 4.710 4.640 0.277 0.000 0.199 321 D C 1.723 178.132 176.300 0.182 0.000 0.984 321 D CA 1.495 55.572 54.000 0.129 0.000 0.834 321 D CB -0.522 40.341 40.800 0.106 0.000 0.955 321 D HN 0.531 nan 8.370 nan 0.000 0.465 322 G N 0.895 109.800 108.800 0.174 0.000 2.421 322 G HA2 -0.235 3.891 3.960 0.277 0.000 0.216 322 G HA3 -0.235 3.891 3.960 0.277 0.000 0.216 322 G C 1.726 176.811 174.900 0.309 0.000 1.171 322 G CA 0.276 45.519 45.100 0.238 0.000 0.775 322 G HN 0.314 nan 8.290 nan 0.000 0.543 323 I N 0.577 121.285 120.570 0.231 0.000 2.617 323 I HA -0.061 4.275 4.170 0.277 0.000 0.256 323 I C 2.708 178.888 176.117 0.105 0.000 1.167 323 I CA 0.788 62.192 61.300 0.173 0.000 1.469 323 I CB 0.160 38.257 38.000 0.162 0.000 1.098 323 I HN 0.101 nan 8.210 nan 0.000 0.436 324 S N 0.041 115.816 115.700 0.124 0.000 2.382 324 S HA -0.249 4.387 4.470 0.277 0.000 0.228 324 S C 1.451 176.100 174.600 0.082 0.000 1.027 324 S CA 1.491 59.740 58.200 0.081 0.000 0.991 324 S CB -0.554 62.698 63.200 0.086 0.000 0.823 324 S HN 0.687 nan 8.310 nan 0.000 0.469 325 W N 1.856 123.144 121.300 -0.019 0.000 2.335 325 W HA -0.146 4.679 4.660 0.275 0.000 0.311 325 W C 1.996 178.430 176.519 -0.142 0.000 1.213 325 W CA 1.132 58.458 57.345 -0.033 0.000 1.274 325 W CB -0.412 29.070 29.460 0.037 0.000 1.148 325 W HN 0.233 nan 8.180 nan 0.000 0.498 326 I N 1.644 122.252 120.570 0.064 0.000 2.202 326 I HA -0.303 4.033 4.170 0.277 0.000 0.242 326 I C 1.843 177.733 176.117 -0.378 0.000 1.091 326 I CA 1.956 62.995 61.300 -0.435 0.000 1.368 326 I CB -0.983 36.298 38.000 -1.199 0.000 1.058 326 I HN -0.047 nan 8.210 nan 0.000 0.410 327 N N 0.888 119.457 118.700 -0.219 0.000 2.205 327 N HA -0.204 4.702 4.740 0.277 0.000 0.186 327 N C 1.781 177.192 175.510 -0.165 0.000 1.015 327 N CA 1.423 54.383 53.050 -0.150 0.000 0.862 327 N CB -0.345 38.101 38.487 -0.068 0.000 0.986 327 N HN 0.540 nan 8.380 nan 0.000 0.429 328 E N 0.081 120.157 120.200 -0.206 0.000 2.204 328 E HA -0.073 4.443 4.350 0.277 0.000 0.195 328 E C 1.841 178.290 176.600 -0.252 0.000 0.990 328 E CA 0.749 57.021 56.400 -0.213 0.000 0.821 328 E CB 0.112 29.667 29.700 -0.241 0.000 0.750 328 E HN 0.313 nan 8.360 nan 0.000 0.477 329 R N 0.075 120.368 120.500 -0.344 0.000 2.112 329 R HA 0.062 4.568 4.340 0.277 0.000 0.216 329 R C 2.344 178.519 176.300 -0.209 0.000 1.080 329 R CA 0.739 56.648 56.100 -0.319 0.000 0.996 329 R CB -0.001 30.023 30.300 -0.459 0.000 0.902 329 R HN 0.233 nan 8.270 nan 0.000 0.449 330 I N -1.379 119.072 120.570 -0.198 0.000 3.578 330 I HA 0.123 4.459 4.170 0.277 0.000 0.295 330 I C -0.385 175.683 176.117 -0.081 0.000 1.280 330 I CA -0.032 61.196 61.300 -0.120 0.000 1.347 330 I CB 0.243 38.185 38.000 -0.097 0.000 1.051 330 I HN -0.111 nan 8.210 nan 0.000 0.460 331 K N 2.381 122.726 120.400 -0.092 0.000 3.069 331 K HA -0.204 4.282 4.320 0.277 0.000 0.267 331 K C -0.274 176.308 176.600 -0.030 0.000 1.082 331 K CA 1.178 57.428 56.287 -0.062 0.000 0.782 331 K CB -2.020 30.447 32.500 -0.054 0.000 1.230 331 K HN 0.916 nan 8.250 nan 0.000 0.488 332 R N -2.846 117.640 120.500 -0.022 0.000 2.728 332 R HA 0.466 4.972 4.340 0.277 0.000 0.274 332 R C -3.414 172.898 176.300 0.020 0.000 1.032 332 R CA -1.827 54.282 56.100 0.014 0.000 0.866 332 R CB 1.053 31.378 30.300 0.043 0.000 1.263 332 R HN -0.269 nan 8.270 nan 0.000 0.475 333 P HA 0.191 nan 4.420 nan 0.000 0.282 333 P C -0.516 176.851 177.300 0.112 0.000 1.262 333 P CA -0.132 63.006 63.100 0.063 0.000 0.773 333 P CB 1.270 33.011 31.700 0.068 0.000 0.879 334 A N 3.936 126.815 122.820 0.099 0.000 2.520 334 A HA 0.048 4.534 4.320 0.277 0.000 0.235 334 A C -0.648 177.104 177.584 0.281 0.000 1.065 334 A CA 0.245 52.385 52.037 0.172 0.000 0.764 334 A CB -0.455 18.620 19.000 0.125 0.000 1.002 334 A HN 0.622 nan 8.150 nan 0.000 0.502 335 Y N 3.247 123.668 120.300 0.203 0.000 2.417 335 Y HA 0.407 5.118 4.550 0.268 0.000 0.336 335 Y C -0.183 175.845 175.900 0.214 0.000 0.961 335 Y CA -1.135 57.090 58.100 0.208 0.000 1.215 335 Y CB 0.546 39.120 38.460 0.189 0.000 1.120 335 Y HN 0.486 nan 8.280 nan 0.000 0.499 336 I N 6.351 127.085 120.570 0.274 0.000 2.533 336 I HA -0.129 4.207 4.170 0.277 0.000 0.284 336 I C -0.164 176.022 176.117 0.115 0.000 1.109 336 I CA -0.148 61.263 61.300 0.185 0.000 1.412 336 I CB 0.320 38.331 38.000 0.019 0.000 1.396 336 I HN 0.720 nan 8.210 nan 0.000 0.543 337 W N 9.089 130.369 121.300 -0.032 0.000 2.317 337 W HA 0.165 5.018 4.660 0.321 0.000 0.327 337 W C -1.232 175.190 176.519 -0.161 0.000 1.036 337 W CA -1.329 55.935 57.345 -0.135 0.000 1.419 337 W CB 0.946 30.283 29.460 -0.205 0.000 1.253 337 W HN 0.562 nan 8.180 nan 0.000 0.392 338 W N 8.168 129.335 121.300 -0.222 0.000 2.316 338 W HA 0.278 5.064 4.660 0.209 0.000 0.308 338 W C 0.185 176.684 176.519 -0.033 0.000 1.106 338 W CA -0.801 56.424 57.345 -0.200 0.000 1.262 338 W CB 0.579 29.800 29.460 -0.398 0.000 1.233 338 W HN 0.241 nan 8.180 nan 0.000 0.447 339 N N 6.967 125.434 118.700 -0.387 0.000 3.254 339 N HA 0.085 4.991 4.740 0.277 0.000 0.308 339 N C -1.567 173.539 175.510 -0.673 0.000 1.281 339 N CA 0.261 53.061 53.050 -0.417 0.000 1.212 339 N CB -0.503 37.779 38.487 -0.342 0.000 1.478 339 N HN 0.343 nan 8.380 nan 0.000 0.548 340 F N 1.095 120.462 119.950 -0.972 0.000 2.622 340 F HA 0.313 4.998 4.527 0.263 0.000 0.318 340 F C -2.335 173.173 175.800 -0.485 0.000 1.135 340 F CA -1.624 55.849 58.000 -0.878 0.000 1.015 340 F CB 2.326 40.445 39.000 -1.469 0.000 1.275 340 F HN -0.049 nan 8.300 nan 0.000 0.457 341 P HA 0.043 nan 4.420 nan 0.000 0.256 341 P C 0.244 177.147 177.300 -0.661 0.000 1.384 341 P CA 0.304 62.579 63.100 -1.375 0.000 0.879 341 P CB 0.415 31.474 31.700 -1.067 0.000 1.403 342 V N 2.231 121.901 119.914 -0.408 0.000 2.780 342 V HA -0.084 4.202 4.120 0.277 0.000 0.301 342 V C 1.112 177.051 176.094 -0.259 0.000 1.168 342 V CA 1.733 63.885 62.300 -0.246 0.000 1.305 342 V CB 0.036 31.811 31.823 -0.079 0.000 0.858 342 V HN 0.420 nan 8.190 nan 0.000 0.502 343 S N 2.141 117.672 115.700 -0.281 0.000 2.855 343 S HA 0.177 4.813 4.470 0.277 0.000 0.249 343 S C 0.709 175.144 174.600 -0.276 0.000 1.033 343 S CA 0.089 58.080 58.200 -0.347 0.000 1.038 343 S CB 0.193 63.239 63.200 -0.256 0.000 0.960 343 S HN 0.969 nan 8.310 nan 0.000 0.548 344 D N 1.611 121.942 120.400 -0.115 0.000 2.371 344 D HA -0.133 4.673 4.640 0.277 0.000 0.221 344 D C 1.071 177.423 176.300 0.087 0.000 0.986 344 D CA 0.399 54.414 54.000 0.026 0.000 0.899 344 D CB -0.679 40.219 40.800 0.163 0.000 0.902 344 D HN 0.758 nan 8.370 nan 0.000 0.530 345 Y N -0.752 119.565 120.300 0.029 0.000 2.481 345 Y HA 0.392 5.103 4.550 0.269 0.000 0.247 345 Y C 0.442 176.367 175.900 0.041 0.000 1.151 345 Y CA -0.660 57.452 58.100 0.021 0.000 1.238 345 Y CB 0.247 38.733 38.460 0.045 0.000 1.179 345 Y HN -0.051 nan 8.280 nan 0.000 0.524 346 V N -1.750 117.952 119.914 -0.353 0.000 2.575 346 V HA 0.470 4.756 4.120 0.277 0.000 0.281 346 V C 0.774 176.878 176.094 0.016 0.000 1.087 346 V CA -0.754 61.441 62.300 -0.174 0.000 1.193 346 V CB 0.259 31.860 31.823 -0.370 0.000 1.426 346 V HN 0.249 nan 8.190 nan 0.000 0.623 347 R N 1.432 121.984 120.500 0.087 0.000 2.193 347 R HA -0.081 4.425 4.340 0.277 0.000 0.229 347 R C 1.562 178.049 176.300 0.311 0.000 1.110 347 R CA 1.678 57.874 56.100 0.160 0.000 0.988 347 R CB 0.031 30.437 30.300 0.176 0.000 0.871 347 R HN 0.882 nan 8.270 nan 0.000 0.458 348 D N -0.831 119.758 120.400 0.314 0.000 2.363 348 D HA -0.088 4.718 4.640 0.277 0.000 0.220 348 D C 0.249 176.806 176.300 0.429 0.000 0.994 348 D CA 0.725 54.937 54.000 0.354 0.000 0.890 348 D CB -0.147 40.761 40.800 0.180 0.000 0.906 348 D HN 0.231 nan 8.370 nan 0.000 0.530 349 H N -0.059 119.169 119.070 0.264 0.000 2.492 349 H HA 0.419 5.140 4.556 0.274 0.000 0.345 349 H C -0.154 175.055 175.328 -0.199 0.000 1.136 349 H CA -0.852 55.259 56.048 0.106 0.000 1.202 349 H CB 2.167 31.940 29.762 0.018 0.000 1.524 349 H HN -0.074 nan 8.280 nan 0.000 0.506 350 L N 3.684 124.681 121.223 -0.377 0.000 2.307 350 L HA 0.317 4.823 4.340 0.277 0.000 0.282 350 L C -0.118 176.619 176.870 -0.221 0.000 1.051 350 L CA -0.628 53.912 54.840 -0.500 0.000 0.804 350 L CB 1.205 42.799 42.059 -0.775 0.000 1.197 350 L HN 0.349 nan 8.230 nan 0.000 0.431 351 L N 5.536 126.642 121.223 -0.195 0.000 2.356 351 L HA 0.345 4.851 4.340 0.277 0.000 0.264 351 L C 0.282 177.119 176.870 -0.055 0.000 1.029 351 L CA -0.055 54.723 54.840 -0.105 0.000 0.897 351 L CB 0.852 42.781 42.059 -0.216 0.000 1.256 351 L HN 0.654 nan 8.230 nan 0.000 0.444 352 L N 1.509 122.759 121.223 0.044 0.000 2.906 352 L HA 0.321 4.827 4.340 0.277 0.000 0.255 352 L C 1.355 178.446 176.870 0.368 0.000 1.166 352 L CA -0.185 54.737 54.840 0.137 0.000 0.977 352 L CB 0.575 42.659 42.059 0.042 0.000 1.313 352 L HN 0.591 nan 8.230 nan 0.000 0.549 353 G N 0.967 109.952 108.800 0.307 0.000 2.651 353 G HA2 0.306 4.432 3.960 0.277 0.000 0.260 353 G HA3 0.306 4.432 3.960 0.277 0.000 0.260 353 G C -2.458 172.521 174.900 0.131 0.000 1.216 353 G CA -0.717 44.475 45.100 0.155 0.000 0.913 353 G HN -0.102 nan 8.290 nan 0.000 0.535 354 P HA 0.157 nan 4.420 nan 0.000 0.271 354 P C -0.233 177.110 177.300 0.071 0.000 1.233 354 P CA -0.432 62.516 63.100 -0.253 0.000 0.789 354 P CB 0.681 31.801 31.700 -0.965 0.000 0.951 355 V N 3.383 123.431 119.914 0.224 0.000 2.408 355 V HA 0.298 4.584 4.120 0.277 0.000 0.267 355 V C -0.056 176.148 176.094 0.184 0.000 1.047 355 V CA 0.464 62.899 62.300 0.224 0.000 0.937 355 V CB -1.133 30.910 31.823 0.365 0.000 0.999 355 V HN 0.599 nan 8.190 nan 0.000 0.472 356 Y N 2.046 122.279 120.300 -0.111 0.000 2.705 356 Y HA 0.837 5.556 4.550 0.281 0.000 0.332 356 Y C 0.679 176.489 175.900 -0.150 0.000 1.221 356 Y CA -0.395 57.625 58.100 -0.133 0.000 1.059 356 Y CB 1.472 39.831 38.460 -0.168 0.000 1.298 356 Y HN 0.717 nan 8.280 nan 0.000 0.459 357 G N 0.697 109.490 108.800 -0.012 0.000 2.259 357 G HA2 -0.235 3.891 3.960 0.277 0.000 0.217 357 G HA3 -0.235 3.891 3.960 0.277 0.000 0.217 357 G C -0.632 174.197 174.900 -0.118 0.000 1.001 357 G CA -0.149 44.918 45.100 -0.054 0.000 0.627 357 G HN 0.712 nan 8.290 nan 0.000 0.501 358 N N 1.958 120.463 118.700 -0.326 0.000 2.499 358 N HA 0.333 5.239 4.740 0.277 0.000 0.281 358 N C -0.743 174.686 175.510 -0.136 0.000 1.098 358 N CA -0.283 52.552 53.050 -0.358 0.000 0.979 358 N CB 1.349 39.310 38.487 -0.876 0.000 1.121 358 N HN 0.367 nan 8.380 nan 0.000 0.466 359 D N 0.820 121.216 120.400 -0.006 0.000 2.458 359 D HA -0.035 4.771 4.640 0.277 0.000 0.243 359 D C 0.747 177.118 176.300 0.118 0.000 1.146 359 D CA 0.337 54.372 54.000 0.059 0.000 0.877 359 D CB 0.822 41.660 40.800 0.062 0.000 1.176 359 D HN 0.545 nan 8.370 nan 0.000 0.461 360 T N -0.581 114.043 114.554 0.117 0.000 3.144 360 T HA -0.003 4.513 4.350 0.277 0.000 0.249 360 T C 1.254 175.957 174.700 0.004 0.000 1.089 360 T CA 0.375 62.541 62.100 0.111 0.000 0.989 360 T CB -0.165 68.789 68.868 0.144 0.000 0.992 360 T HN 0.399 nan 8.240 nan 0.000 0.540 361 T N -0.348 114.213 114.554 0.012 0.000 3.132 361 T HA 0.350 4.866 4.350 0.277 0.000 0.274 361 T C 1.033 175.727 174.700 -0.010 0.000 1.011 361 T CA -0.542 61.555 62.100 -0.005 0.000 0.899 361 T CB -0.733 68.143 68.868 0.013 0.000 1.089 361 T HN 0.665 nan 8.240 nan 0.000 0.543 362 I N -2.241 118.321 120.570 -0.013 0.000 3.856 362 I HA 0.719 5.055 4.170 0.277 0.000 0.330 362 I C 1.891 177.995 176.117 -0.022 0.000 1.546 362 I CA -0.797 60.505 61.300 0.004 0.000 1.132 362 I CB -0.126 37.902 38.000 0.046 0.000 1.157 362 I HN 0.070 nan 8.210 nan 0.000 0.440 363 A N 2.424 125.196 122.820 -0.079 0.000 1.917 363 A HA -0.206 4.280 4.320 0.277 0.000 0.219 363 A C 2.300 179.850 177.584 -0.057 0.000 1.182 363 A CA 1.825 53.795 52.037 -0.111 0.000 0.633 363 A CB -0.444 18.456 19.000 -0.167 0.000 0.819 363 A HN 0.540 nan 8.150 nan 0.000 0.448 364 K N -0.339 120.039 120.400 -0.036 0.000 2.280 364 K HA -0.106 4.380 4.320 0.277 0.000 0.202 364 K C 0.999 177.599 176.600 0.001 0.000 1.047 364 K CA 1.179 57.456 56.287 -0.017 0.000 0.942 364 K CB -0.008 32.485 32.500 -0.011 0.000 0.739 364 K HN 0.470 nan 8.250 nan 0.000 0.457 365 E N 0.395 120.603 120.200 0.014 0.000 2.479 365 E HA 0.033 4.549 4.350 0.277 0.000 0.193 365 E C 0.589 177.224 176.600 0.057 0.000 1.049 365 E CA 0.314 56.735 56.400 0.034 0.000 0.870 365 E CB 0.050 29.776 29.700 0.045 0.000 0.944 365 E HN 0.441 nan 8.360 nan 0.000 0.492 366 M N -2.003 117.629 119.600 0.054 0.000 2.395 366 M HA 0.500 5.146 4.480 0.277 0.000 0.307 366 M C 0.408 176.739 176.300 0.053 0.000 1.091 366 M CA -0.652 54.699 55.300 0.084 0.000 0.919 366 M CB 2.253 34.935 32.600 0.136 0.000 1.662 366 M HN -0.405 nan 8.290 nan 0.000 0.440 367 S N 1.472 117.225 115.700 0.088 0.000 2.436 367 S HA 0.300 4.936 4.470 0.277 0.000 0.228 367 S C 0.740 175.340 174.600 0.000 0.000 1.014 367 S CA 0.869 59.133 58.200 0.107 0.000 0.950 367 S CB 0.056 63.417 63.200 0.269 0.000 0.784 367 S HN 0.954 nan 8.310 nan 0.000 0.504 368 G N -0.125 108.554 108.800 -0.202 0.000 2.673 368 G HA2 0.581 4.707 3.960 0.277 0.000 0.292 368 G HA3 0.581 4.707 3.960 0.277 0.000 0.292 368 G C -2.108 172.668 174.900 -0.208 0.000 1.450 368 G CA -0.657 44.130 45.100 -0.522 0.000 0.837 368 G HN 0.127 nan 8.290 nan 0.000 0.505 369 F N 1.815 121.635 119.950 -0.216 0.000 2.671 369 F HA 0.591 5.258 4.527 0.235 0.000 0.332 369 F C -0.376 175.442 175.800 0.030 0.000 1.189 369 F CA -0.789 57.199 58.000 -0.020 0.000 0.988 369 F CB 1.985 41.005 39.000 0.033 0.000 1.258 369 F HN 0.581 nan 8.300 nan 0.000 0.471 370 V N 2.296 122.107 119.914 -0.171 0.000 2.735 370 V HA 0.704 4.990 4.120 0.277 0.000 0.310 370 V C -0.515 175.470 176.094 -0.180 0.000 1.061 370 V CA -0.590 61.661 62.300 -0.082 0.000 0.913 370 V CB 1.321 33.099 31.823 -0.075 0.000 1.005 370 V HN 0.769 nan 8.190 nan 0.000 0.428 371 T N 2.841 117.395 114.554 0.000 0.000 2.806 371 T HA 0.354 4.870 4.350 0.277 0.000 0.290 371 T C -0.135 174.468 174.700 -0.162 0.000 0.966 371 T CA -0.243 61.890 62.100 0.055 0.000 1.060 371 T CB 0.417 69.454 68.868 0.282 0.000 0.927 371 T HN 0.973 nan 8.240 nan 0.000 0.485 372 N N 6.492 125.036 118.700 -0.261 0.000 2.420 372 N HA 0.421 5.327 4.740 0.277 0.000 0.249 372 N C -2.370 173.061 175.510 -0.133 0.000 1.033 372 N CA -1.863 51.019 53.050 -0.280 0.000 0.944 372 N CB 1.060 39.402 38.487 -0.241 0.000 1.113 372 N HN 0.408 nan 8.380 nan 0.000 0.502 373 P HA 0.293 nan 4.420 nan 0.000 0.301 373 P C -0.259 176.946 177.300 -0.158 0.000 1.309 373 P CA -0.547 62.549 63.100 -0.008 0.000 0.782 373 P CB 1.104 32.978 31.700 0.289 0.000 1.282 374 M N 0.062 119.551 119.600 -0.185 0.000 2.228 374 M HA 0.111 4.757 4.480 0.277 0.000 0.326 374 M C 1.835 177.766 176.300 -0.615 0.000 1.122 374 M CA 0.053 55.114 55.300 -0.397 0.000 1.161 374 M CB 0.177 32.644 32.600 -0.222 0.000 1.437 374 M HN 0.480 nan 8.290 nan 0.000 0.465 375 E N 0.213 119.766 120.200 -1.078 0.000 2.331 375 E HA -0.163 4.353 4.350 0.277 0.000 0.199 375 E C -0.201 176.264 176.600 -0.225 0.000 1.008 375 E CA 1.112 56.977 56.400 -0.891 0.000 0.843 375 E CB -0.159 29.102 29.700 -0.732 0.000 0.761 375 E HN 0.498 nan 8.360 nan 0.000 0.507 376 H N 0.559 119.598 119.070 -0.051 0.000 3.004 376 H HA 0.302 5.020 4.556 0.270 0.000 0.267 376 H C 0.715 175.996 175.328 -0.078 0.000 1.165 376 H CA 0.298 56.309 56.048 -0.062 0.000 1.450 376 H CB 1.261 30.925 29.762 -0.162 0.000 1.488 376 H HN 0.279 nan 8.280 nan 0.000 0.478 377 A N 3.847 126.562 122.820 -0.175 0.000 1.854 377 A HA -0.120 4.366 4.320 0.277 0.000 0.214 377 A C 2.129 179.427 177.584 -0.476 0.000 1.192 377 A CA 0.792 52.404 52.037 -0.708 0.000 0.611 377 A CB 0.096 18.252 19.000 -1.406 0.000 0.832 377 A HN 0.516 nan 8.150 nan 0.000 0.442 378 E N 0.484 120.469 120.200 -0.357 0.000 2.110 378 E HA -0.107 4.409 4.350 0.277 0.000 0.193 378 E C 2.270 178.724 176.600 -0.244 0.000 0.988 378 E CA 1.388 57.597 56.400 -0.318 0.000 0.804 378 E CB -0.539 29.009 29.700 -0.255 0.000 0.745 378 E HN 0.532 nan 8.360 nan 0.000 0.458 379 S N 0.934 116.536 115.700 -0.163 0.000 2.423 379 S HA -0.056 4.580 4.470 0.277 0.000 0.231 379 S C 2.056 176.603 174.600 -0.088 0.000 1.014 379 S CA 0.705 58.831 58.200 -0.123 0.000 0.965 379 S CB -0.029 63.097 63.200 -0.123 0.000 0.785 379 S HN 0.138 nan 8.310 nan 0.000 0.495 380 S N 1.268 116.926 115.700 -0.070 0.000 2.481 380 S HA 0.042 4.678 4.470 0.277 0.000 0.231 380 S C 1.616 176.236 174.600 0.034 0.000 0.996 380 S CA 0.545 58.748 58.200 0.005 0.000 0.942 380 S CB -0.060 63.214 63.200 0.123 0.000 0.768 380 S HN 0.487 nan 8.310 nan 0.000 0.520 381 K N 1.130 121.467 120.400 -0.104 0.000 2.209 381 K HA -0.003 4.483 4.320 0.277 0.000 0.204 381 K C 1.680 178.365 176.600 0.142 0.000 1.048 381 K CA 0.912 57.118 56.287 -0.136 0.000 0.940 381 K CB -0.324 31.750 32.500 -0.711 0.000 0.729 381 K HN 0.381 nan 8.250 nan 0.000 0.451 382 I N 1.081 121.699 120.570 0.079 0.000 2.127 382 I HA -0.319 4.017 4.170 0.277 0.000 0.241 382 I C 2.543 178.859 176.117 0.332 0.000 1.075 382 I CA 1.456 62.842 61.300 0.144 0.000 1.334 382 I CB -0.449 37.607 38.000 0.093 0.000 1.040 382 I HN 0.149 nan 8.210 nan 0.000 0.405 383 A N 0.710 123.730 122.820 0.334 0.000 1.930 383 A HA -0.109 4.377 4.320 0.277 0.000 0.217 383 A C 2.293 180.151 177.584 0.457 0.000 1.175 383 A CA 1.275 53.578 52.037 0.443 0.000 0.627 383 A CB -0.745 18.484 19.000 0.381 0.000 0.815 383 A HN 0.377 nan 8.150 nan 0.000 0.443 384 I N -2.014 118.812 120.570 0.428 0.000 2.179 384 I HA -0.269 4.067 4.170 0.277 0.000 0.242 384 I C 2.437 178.860 176.117 0.510 0.000 1.088 384 I CA 1.745 63.327 61.300 0.470 0.000 1.357 384 I CB -0.416 37.899 38.000 0.525 0.000 1.051 384 I HN 0.544 nan 8.210 nan 0.000 0.409 385 Y N 1.419 121.997 120.300 0.464 0.000 2.165 385 Y HA -0.317 4.384 4.550 0.252 0.000 0.286 385 Y C 2.730 178.770 175.900 0.234 0.000 1.155 385 Y CA 2.067 60.342 58.100 0.291 0.000 1.164 385 Y CB -0.058 38.609 38.460 0.346 0.000 0.978 385 Y HN 0.076 nan 8.280 nan 0.000 0.513 386 S N -0.737 115.301 115.700 0.563 0.000 2.371 386 S HA -0.164 4.472 4.470 0.277 0.000 0.224 386 S C 2.045 176.822 174.600 0.295 0.000 1.029 386 S CA 1.233 59.735 58.200 0.504 0.000 0.978 386 S CB -0.612 62.920 63.200 0.552 0.000 0.833 386 S HN 0.321 nan 8.310 nan 0.000 0.466 387 V N 2.266 122.353 119.914 0.288 0.000 2.332 387 V HA -0.219 4.067 4.120 0.277 0.000 0.248 387 V C 2.669 178.848 176.094 0.143 0.000 1.055 387 V CA 1.701 64.130 62.300 0.215 0.000 1.038 387 V CB -1.227 30.839 31.823 0.404 0.000 0.651 387 V HN 0.541 nan 8.190 nan 0.000 0.450 388 A N -0.729 122.163 122.820 0.120 0.000 1.902 388 A HA -0.245 4.241 4.320 0.277 0.000 0.217 388 A C 2.565 180.141 177.584 -0.014 0.000 1.181 388 A CA 2.305 54.355 52.037 0.021 0.000 0.623 388 A CB -0.733 18.214 19.000 -0.088 0.000 0.818 388 A HN 0.499 nan 8.150 nan 0.000 0.443 389 S N -1.941 113.751 115.700 -0.014 0.000 2.355 389 S HA -0.183 4.453 4.470 0.277 0.000 0.222 389 S C 1.928 176.578 174.600 0.084 0.000 1.031 389 S CA 1.543 59.769 58.200 0.044 0.000 0.993 389 S CB -0.570 62.722 63.200 0.153 0.000 0.859 389 S HN 0.683 nan 8.310 nan 0.000 0.453 390 Y N 2.036 122.195 120.300 -0.235 0.000 2.145 390 Y HA -0.031 4.681 4.550 0.269 0.000 0.286 390 Y C 2.357 178.030 175.900 -0.379 0.000 1.145 390 Y CA 1.615 59.360 58.100 -0.592 0.000 1.148 390 Y CB -0.951 36.783 38.460 -1.211 0.000 0.981 390 Y HN 0.295 nan 8.280 nan 0.000 0.507 391 A N 0.385 122.961 122.820 -0.406 0.000 2.014 391 A HA -0.160 4.326 4.320 0.277 0.000 0.218 391 A C 2.182 179.609 177.584 -0.262 0.000 1.163 391 A CA 1.173 52.948 52.037 -0.437 0.000 0.652 391 A CB -1.422 17.505 19.000 -0.122 0.000 0.808 391 A HN 0.862 nan 8.150 nan 0.000 0.449 392 W N 0.230 121.359 121.300 -0.285 0.000 2.441 392 W HA 0.029 4.848 4.660 0.266 0.000 0.302 392 W C -0.113 176.248 176.519 -0.264 0.000 1.191 392 W CA 1.474 58.677 57.345 -0.236 0.000 1.327 392 W CB 0.037 29.372 29.460 -0.208 0.000 1.128 392 W HN 0.386 nan 8.180 nan 0.000 0.522 393 N N 0.280 118.970 118.700 -0.017 0.000 2.725 393 N HA 0.162 5.068 4.740 0.277 0.000 0.248 393 N C -2.013 173.418 175.510 -0.131 0.000 1.402 393 N CA -1.678 51.315 53.050 -0.095 0.000 0.766 393 N CB 0.921 39.448 38.487 0.067 0.000 1.223 393 N HN -0.166 nan 8.380 nan 0.000 0.515 394 P HA -0.059 nan 4.420 nan 0.000 0.219 394 P C 1.127 178.380 177.300 -0.077 0.000 1.150 394 P CA 0.758 63.647 63.100 -0.352 0.000 0.814 394 P CB 0.334 31.649 31.700 -0.643 0.000 0.787 395 A N 0.544 123.312 122.820 -0.087 0.000 1.948 395 A HA -0.184 4.302 4.320 0.277 0.000 0.220 395 A C 1.953 179.546 177.584 0.016 0.000 1.177 395 A CA 1.958 53.978 52.037 -0.029 0.000 0.636 395 A CB -1.004 17.966 19.000 -0.050 0.000 0.815 395 A HN 0.128 nan 8.150 nan 0.000 0.449 396 K N -1.453 118.961 120.400 0.023 0.000 2.410 396 K HA 0.184 4.670 4.320 0.277 0.000 0.200 396 K C -0.229 176.426 176.600 0.093 0.000 1.023 396 K CA -0.352 55.960 56.287 0.042 0.000 1.149 396 K CB -0.139 32.374 32.500 0.022 0.000 0.859 396 K HN 0.518 nan 8.250 nan 0.000 0.514 397 Y N 1.932 122.241 120.300 0.015 0.000 2.544 397 Y HA 0.039 4.759 4.550 0.283 0.000 0.330 397 Y C -0.275 175.666 175.900 0.067 0.000 1.136 397 Y CA -0.519 57.617 58.100 0.060 0.000 1.417 397 Y CB 0.343 38.883 38.460 0.134 0.000 1.229 397 Y HN 0.030 nan 8.280 nan 0.000 0.532 398 D N 4.984 125.012 120.400 -0.620 0.000 2.454 398 D HA 0.157 4.963 4.640 0.277 0.000 0.247 398 D C 0.575 176.481 176.300 -0.657 0.000 1.129 398 D CA -0.167 53.574 54.000 -0.431 0.000 0.877 398 D CB 1.331 42.039 40.800 -0.152 0.000 1.082 398 D HN 0.774 nan 8.370 nan 0.000 0.537 399 T N 2.281 116.448 114.554 -0.646 0.000 2.570 399 T HA -0.213 4.303 4.350 0.277 0.000 0.266 399 T C 1.453 175.992 174.700 -0.268 0.000 1.071 399 T CA 1.552 63.354 62.100 -0.496 0.000 1.172 399 T CB -0.283 68.354 68.868 -0.384 0.000 0.864 399 T HN 0.553 nan 8.240 nan 0.000 0.421 400 W N 0.909 122.168 121.300 -0.068 0.000 2.409 400 W HA 0.024 4.862 4.660 0.295 0.000 0.299 400 W C 2.884 179.494 176.519 0.151 0.000 1.203 400 W CA 0.321 57.695 57.345 0.048 0.000 1.298 400 W CB -0.468 28.983 29.460 -0.015 0.000 1.127 400 W HN 0.185 nan 8.180 nan 0.000 0.528 401 Q N 0.254 120.217 119.800 0.271 0.000 2.096 401 Q HA -0.165 4.341 4.340 0.277 0.000 0.204 401 Q C 1.891 178.012 176.000 0.201 0.000 0.982 401 Q CA 2.685 58.605 55.803 0.196 0.000 0.850 401 Q CB -0.779 28.020 28.738 0.102 0.000 0.901 401 Q HN 0.128 nan 8.270 nan 0.000 0.422 402 T N -0.631 114.027 114.554 0.173 0.000 2.777 402 T HA -0.142 4.374 4.350 0.277 0.000 0.266 402 T C 1.012 175.920 174.700 0.348 0.000 1.040 402 T CA 1.077 63.343 62.100 0.278 0.000 1.141 402 T CB -0.627 68.401 68.868 0.267 0.000 0.868 402 T HN 0.548 nan 8.240 nan 0.000 0.444 403 W N 2.468 123.840 121.300 0.120 0.000 2.317 403 W HA -0.174 4.640 4.660 0.256 0.000 0.318 403 W C 2.138 178.701 176.519 0.074 0.000 1.227 403 W CA 1.331 58.733 57.345 0.096 0.000 1.269 403 W CB -0.225 29.262 29.460 0.044 0.000 1.155 403 W HN 0.126 nan 8.180 nan 0.000 0.484 404 K N -0.301 120.229 120.400 0.216 0.000 2.032 404 K HA -0.220 4.266 4.320 0.277 0.000 0.209 404 K C 1.626 178.152 176.600 -0.123 0.000 1.048 404 K CA 1.908 58.175 56.287 -0.034 0.000 0.927 404 K CB -0.607 31.978 32.500 0.141 0.000 0.712 404 K HN 0.096 nan 8.250 nan 0.000 0.441 405 D N 0.643 121.029 120.400 -0.024 0.000 2.123 405 D HA -0.171 4.635 4.640 0.277 0.000 0.196 405 D C 1.864 177.909 176.300 -0.426 0.000 0.992 405 D CA 1.484 55.445 54.000 -0.065 0.000 0.833 405 D CB -0.304 40.607 40.800 0.186 0.000 0.954 405 D HN 0.236 nan 8.370 nan 0.000 0.455 406 A N 0.715 123.122 122.820 -0.689 0.000 1.883 406 A HA -0.159 4.327 4.320 0.277 0.000 0.217 406 A C 2.421 179.673 177.584 -0.553 0.000 1.186 406 A CA 1.069 52.448 52.037 -1.097 0.000 0.624 406 A CB -0.785 17.891 19.000 -0.540 0.000 0.822 406 A HN 0.205 nan 8.150 nan 0.000 0.444 407 I N -1.239 119.055 120.570 -0.459 0.000 2.226 407 I HA -0.225 4.111 4.170 0.277 0.000 0.245 407 I C 2.689 178.641 176.117 -0.275 0.000 1.100 407 I CA 1.701 62.767 61.300 -0.390 0.000 1.374 407 I CB -0.203 37.473 38.000 -0.540 0.000 1.057 407 I HN 0.345 nan 8.210 nan 0.000 0.413 408 R N 0.216 120.567 120.500 -0.248 0.000 2.148 408 R HA -0.107 4.399 4.340 0.277 0.000 0.223 408 R C 2.080 178.300 176.300 -0.132 0.000 1.088 408 R CA 1.507 57.511 56.100 -0.160 0.000 0.985 408 R CB -0.105 30.124 30.300 -0.118 0.000 0.880 408 R HN 0.216 nan 8.270 nan 0.000 0.451 409 T N 0.325 114.776 114.554 -0.172 0.000 2.851 409 T HA 0.013 4.529 4.350 0.277 0.000 0.262 409 T C 1.650 176.320 174.700 -0.050 0.000 1.043 409 T CA 1.240 63.287 62.100 -0.088 0.000 1.140 409 T CB 0.004 68.813 68.868 -0.098 0.000 0.872 409 T HN 0.151 nan 8.240 nan 0.000 0.446 410 I N -0.168 120.338 120.570 -0.107 0.000 2.406 410 I HA 0.086 4.422 4.170 0.277 0.000 0.249 410 I C 0.578 176.626 176.117 -0.115 0.000 1.122 410 I CA 0.807 62.043 61.300 -0.106 0.000 1.431 410 I CB 0.314 38.214 38.000 -0.166 0.000 1.087 410 I HN 0.087 nan 8.210 nan 0.000 0.424 411 L N 1.644 122.791 121.223 -0.126 0.000 2.551 411 L HA 0.351 4.857 4.340 0.277 0.000 0.248 411 L C -1.884 174.927 176.870 -0.098 0.000 1.509 411 L CA -1.317 53.455 54.840 -0.113 0.000 0.842 411 L CB 0.683 42.666 42.059 -0.127 0.000 1.087 411 L HN -0.186 nan 8.230 nan 0.000 0.512 412 P HA -0.145 nan 4.420 nan 0.000 0.218 412 P C 1.311 178.575 177.300 -0.061 0.000 1.148 412 P CA 1.406 64.465 63.100 -0.069 0.000 0.822 412 P CB 0.208 31.876 31.700 -0.054 0.000 0.784 413 S N -0.710 114.954 115.700 -0.060 0.000 2.481 413 S HA 0.157 4.793 4.470 0.277 0.000 0.231 413 S C 1.499 176.068 174.600 -0.052 0.000 0.996 413 S CA 0.697 58.866 58.200 -0.051 0.000 0.942 413 S CB -0.554 62.616 63.200 -0.050 0.000 0.768 413 S HN 0.166 nan 8.310 nan 0.000 0.520 414 A N -0.181 122.600 122.820 -0.063 0.000 2.897 414 A HA 0.859 5.345 4.320 0.277 0.000 0.230 414 A C 1.264 178.805 177.584 -0.071 0.000 0.896 414 A CA 0.097 52.097 52.037 -0.061 0.000 1.114 414 A CB -0.345 18.614 19.000 -0.069 0.000 1.230 414 A HN 0.474 nan 8.150 nan 0.000 0.481 415 A N 0.405 123.179 122.820 -0.076 0.000 1.902 415 A HA -0.141 4.345 4.320 0.277 0.000 0.217 415 A C 1.720 179.251 177.584 -0.088 0.000 1.181 415 A CA 2.056 54.032 52.037 -0.101 0.000 0.623 415 A CB -0.279 18.660 19.000 -0.101 0.000 0.818 415 A HN 0.586 nan 8.150 nan 0.000 0.443 416 E N -0.586 119.587 120.200 -0.045 0.000 2.106 416 E HA -0.153 4.363 4.350 0.277 0.000 0.192 416 E C 2.011 178.619 176.600 0.014 0.000 0.984 416 E CA 1.296 57.691 56.400 -0.009 0.000 0.806 416 E CB -0.069 29.640 29.700 0.014 0.000 0.750 416 E HN 0.637 nan 8.360 nan 0.000 0.458 417 E N 0.311 120.513 120.200 0.003 0.000 2.072 417 E HA -0.166 4.350 4.350 0.277 0.000 0.191 417 E C 1.792 178.406 176.600 0.022 0.000 0.985 417 E CA 0.511 56.925 56.400 0.024 0.000 0.801 417 E CB -0.166 29.529 29.700 -0.008 0.000 0.750 417 E HN 0.105 nan 8.360 nan 0.000 0.452 418 L N 1.252 122.453 121.223 -0.036 0.000 2.056 418 L HA -0.119 4.387 4.340 0.277 0.000 0.207 418 L C 1.760 178.618 176.870 -0.020 0.000 1.078 418 L CA 1.793 56.610 54.840 -0.038 0.000 0.749 418 L CB -0.419 41.572 42.059 -0.113 0.000 0.901 418 L HN 0.095 nan 8.230 nan 0.000 0.433 419 E N -1.208 118.939 120.200 -0.090 0.000 2.070 419 E HA -0.327 4.189 4.350 0.277 0.000 0.197 419 E C 2.356 179.060 176.600 0.174 0.000 1.004 419 E CA 1.755 58.120 56.400 -0.060 0.000 0.805 419 E CB -0.531 29.136 29.700 -0.056 0.000 0.744 419 E HN 0.705 nan 8.360 nan 0.000 0.451 420 C N 0.390 119.790 119.300 0.166 0.000 2.413 420 C HA -0.199 4.428 4.460 0.277 0.000 0.277 420 C C 2.501 177.668 174.990 0.295 0.000 1.228 420 C CA 0.927 60.099 59.018 0.256 0.000 1.731 420 C CB -1.202 26.706 27.740 0.282 0.000 2.042 420 C HN 0.489 nan 8.230 nan 0.000 0.468 421 F N 2.119 122.052 119.950 -0.028 0.000 2.102 421 F HA 0.013 4.703 4.527 0.272 0.000 0.298 421 F C 2.316 178.019 175.800 -0.163 0.000 1.105 421 F CA 1.982 59.742 58.000 -0.401 0.000 1.239 421 F CB -0.767 37.931 39.000 -0.503 0.000 0.991 421 F HN 0.271 nan 8.300 nan 0.000 0.474 422 A N 0.185 123.012 122.820 0.012 0.000 1.933 422 A HA -0.237 4.249 4.320 0.277 0.000 0.218 422 A C 2.203 179.887 177.584 0.167 0.000 1.175 422 A CA 1.899 53.998 52.037 0.103 0.000 0.628 422 A CB -0.977 18.234 19.000 0.351 0.000 0.814 422 A HN 0.543 nan 8.150 nan 0.000 0.444 423 M N -0.543 119.171 119.600 0.190 0.000 2.202 423 M HA -0.150 4.496 4.480 0.277 0.000 0.262 423 M C 0.965 177.096 176.300 -0.282 0.000 1.063 423 M CA 1.691 56.947 55.300 -0.073 0.000 1.097 423 M CB -0.403 32.078 32.600 -0.197 0.000 1.382 423 M HN 0.491 nan 8.290 nan 0.000 0.413 424 H N -1.041 118.102 119.070 0.121 0.000 2.505 424 H HA 0.399 5.123 4.556 0.279 0.000 0.286 424 H C -0.439 174.904 175.328 0.024 0.000 1.072 424 H CA -0.040 56.090 56.048 0.135 0.000 1.141 424 H CB -0.404 29.549 29.762 0.317 0.000 1.550 424 H HN 0.420 nan 8.280 nan 0.000 0.547 425 N N 0.081 118.753 118.700 -0.046 0.000 2.711 425 N HA 0.049 4.955 4.740 0.277 0.000 0.263 425 N C 0.270 175.755 175.510 -0.042 0.000 1.667 425 N CA -0.058 52.910 53.050 -0.137 0.000 0.785 425 N CB 1.182 39.344 38.487 -0.542 0.000 1.231 425 N HN 0.103 nan 8.380 nan 0.000 0.503 426 S N -2.278 113.457 115.700 0.059 0.000 2.691 426 S HA 0.139 4.775 4.470 0.277 0.000 0.258 426 S C 0.302 174.985 174.600 0.137 0.000 1.078 426 S CA -0.272 57.991 58.200 0.105 0.000 1.000 426 S CB 0.421 63.675 63.200 0.089 0.000 0.942 426 S HN 0.226 nan 8.310 nan 0.000 0.521 427 D N 0.877 121.354 120.400 0.129 0.000 2.354 427 D HA 0.477 5.283 4.640 0.277 0.000 0.247 427 D C 0.521 176.863 176.300 0.070 0.000 1.138 427 D CA -0.372 53.691 54.000 0.104 0.000 0.958 427 D CB 0.897 41.757 40.800 0.100 0.000 1.144 427 D HN 0.068 nan 8.370 nan 0.000 0.458 428 L N 0.899 122.091 121.223 -0.051 0.000 2.638 428 L HA 0.387 4.893 4.340 0.277 0.000 0.232 428 L C 1.309 177.819 176.870 -0.601 0.000 1.099 428 L CA 0.597 55.261 54.840 -0.293 0.000 0.883 428 L CB -0.516 41.497 42.059 -0.076 0.000 1.136 428 L HN 0.737 nan 8.230 nan 0.000 0.492 429 G N 0.015 108.668 108.800 -0.245 0.000 2.855 429 G HA2 -0.192 3.934 3.960 0.277 0.000 0.352 429 G HA3 -0.192 3.934 3.960 0.277 0.000 0.352 429 G C -2.599 172.278 174.900 -0.039 0.000 1.415 429 G CA -1.001 44.046 45.100 -0.089 0.000 0.871 429 G HN 0.028 nan 8.290 nan 0.000 0.543 430 P HA 0.319 nan 4.420 nan 0.000 0.265 430 P C -0.030 177.299 177.300 0.049 0.000 1.193 430 P CA 0.397 63.522 63.100 0.042 0.000 0.765 430 P CB 0.537 32.267 31.700 0.049 0.000 0.823 431 N N -0.523 118.222 118.700 0.075 0.000 2.823 431 N HA 0.405 5.311 4.740 0.277 0.000 0.251 431 N C 0.827 176.375 175.510 0.063 0.000 1.392 431 N CA -1.025 52.084 53.050 0.099 0.000 0.864 431 N CB 0.130 38.744 38.487 0.212 0.000 1.481 431 N HN 0.176 nan 8.380 nan 0.000 0.508 432 G N -1.220 107.571 108.800 -0.014 0.000 2.509 432 G HA2 -0.186 3.940 3.960 0.277 0.000 0.218 432 G HA3 -0.186 3.940 3.960 0.277 0.000 0.218 432 G C 0.429 175.259 174.900 -0.117 0.000 1.124 432 G CA 0.618 45.661 45.100 -0.096 0.000 0.776 432 G HN 0.668 nan 8.290 nan 0.000 0.547 433 H N 0.090 119.140 119.070 -0.034 0.000 2.551 433 H HA 0.139 4.863 4.556 0.279 0.000 0.266 433 H C 2.315 177.649 175.328 0.009 0.000 0.964 433 H CA 0.255 56.241 56.048 -0.103 0.000 1.180 433 H CB 0.057 29.611 29.762 -0.347 0.000 1.408 433 H HN 0.373 nan 8.280 nan 0.000 0.563 434 G N 0.631 109.532 108.800 0.168 0.000 2.179 434 G HA2 -0.324 3.802 3.960 0.277 0.000 0.257 434 G HA3 -0.324 3.802 3.960 0.277 0.000 0.257 434 G C -0.151 174.857 174.900 0.181 0.000 1.010 434 G CA 0.512 45.694 45.100 0.137 0.000 0.736 434 G HN 0.494 nan 8.290 nan 0.000 0.513 435 Y N 1.410 121.765 120.300 0.092 0.000 2.320 435 Y HA 0.722 5.437 4.550 0.275 0.000 0.334 435 Y C 0.475 176.425 175.900 0.083 0.000 1.055 435 Y CA -1.131 57.014 58.100 0.076 0.000 1.143 435 Y CB 0.739 39.253 38.460 0.090 0.000 1.193 435 Y HN 0.178 nan 8.280 nan 0.000 0.477 436 R N 4.780 125.088 120.500 -0.320 0.000 2.837 436 R HA 0.599 5.105 4.340 0.277 0.000 0.271 436 R C -1.039 175.060 176.300 -0.334 0.000 0.993 436 R CA -1.139 54.842 56.100 -0.199 0.000 0.931 436 R CB 2.021 32.273 30.300 -0.080 0.000 1.206 436 R HN 0.678 nan 8.270 nan 0.000 0.474 437 R N 0.860 121.292 120.500 -0.113 0.000 2.795 437 R HA 0.343 4.849 4.340 0.277 0.000 0.275 437 R C -0.286 176.055 176.300 0.068 0.000 0.981 437 R CA -0.868 55.223 56.100 -0.015 0.000 0.917 437 R CB 1.828 32.157 30.300 0.048 0.000 1.202 437 R HN 0.602 nan 8.270 nan 0.000 0.469 438 E N 1.565 121.837 120.200 0.119 0.000 2.422 438 E HA 0.055 4.571 4.350 0.277 0.000 0.260 438 E C -0.345 176.298 176.600 0.073 0.000 1.108 438 E CA 0.395 56.835 56.400 0.067 0.000 0.943 438 E CB 0.804 30.514 29.700 0.016 0.000 0.961 438 E HN 0.377 nan 8.360 nan 0.000 0.443 439 E N -0.041 120.206 120.200 0.079 0.000 2.363 439 E HA 0.116 4.632 4.350 0.277 0.000 0.281 439 E C -1.203 175.470 176.600 0.121 0.000 0.953 439 E CA -0.409 56.050 56.400 0.098 0.000 0.778 439 E CB 1.192 30.966 29.700 0.124 0.000 1.220 439 E HN 0.430 nan 8.360 nan 0.000 0.431 440 S N 3.123 118.908 115.700 0.141 0.000 3.587 440 S HA -0.198 4.438 4.470 0.277 0.000 0.337 440 S C 1.057 175.731 174.600 0.123 0.000 1.119 440 S CA 0.939 59.285 58.200 0.243 0.000 0.976 440 S CB -0.893 62.527 63.200 0.367 0.000 0.922 440 S HN 0.644 nan 8.310 nan 0.000 0.503 441 M N 0.638 120.265 119.600 0.045 0.000 2.213 441 M HA -0.095 4.551 4.480 0.277 0.000 0.263 441 M C 1.752 178.041 176.300 -0.019 0.000 1.062 441 M CA 1.483 56.788 55.300 0.007 0.000 1.105 441 M CB -0.957 31.632 32.600 -0.018 0.000 1.385 441 M HN 0.286 nan 8.290 nan 0.000 0.417 442 D N 0.883 121.260 120.400 -0.038 0.000 2.104 442 D HA -0.139 4.667 4.640 0.277 0.000 0.194 442 D C 1.837 178.140 176.300 0.005 0.000 0.994 442 D CA 1.442 55.419 54.000 -0.038 0.000 0.830 442 D CB -0.297 40.481 40.800 -0.036 0.000 0.959 442 D HN 0.597 nan 8.370 nan 0.000 0.452 443 I N -1.725 118.871 120.570 0.042 0.000 3.728 443 I HA 0.043 4.379 4.170 0.277 0.000 0.307 443 I C 2.077 178.206 176.117 0.020 0.000 1.276 443 I CA 0.186 61.497 61.300 0.019 0.000 1.285 443 I CB -0.053 37.945 38.000 -0.003 0.000 1.038 443 I HN -0.214 nan 8.210 nan 0.000 0.445 444 Q N 2.268 122.091 119.800 0.038 0.000 2.112 444 Q HA -0.165 4.341 4.340 0.277 0.000 0.206 444 Q C -0.320 175.708 176.000 0.047 0.000 0.987 444 Q CA 2.521 58.352 55.803 0.046 0.000 0.858 444 Q CB -1.237 27.530 28.738 0.047 0.000 0.905 444 Q HN 0.395 nan 8.270 nan 0.000 0.420 445 P HA -0.093 nan 4.420 nan 0.000 0.215 445 P C 0.922 178.259 177.300 0.061 0.000 1.157 445 P CA 2.190 65.316 63.100 0.044 0.000 0.863 445 P CB -0.385 31.331 31.700 0.028 0.000 0.787 446 A N -0.218 122.629 122.820 0.046 0.000 1.933 446 A HA -0.091 4.395 4.320 0.277 0.000 0.218 446 A C 2.282 179.919 177.584 0.088 0.000 1.175 446 A CA 2.000 54.071 52.037 0.057 0.000 0.628 446 A CB -1.554 17.450 19.000 0.007 0.000 0.814 446 A HN 0.184 nan 8.150 nan 0.000 0.444 447 A N -0.376 122.482 122.820 0.062 0.000 1.858 447 A HA -0.138 4.348 4.320 0.277 0.000 0.216 447 A C 1.962 179.652 177.584 0.178 0.000 1.190 447 A CA 2.053 54.152 52.037 0.103 0.000 0.617 447 A CB -0.550 18.490 19.000 0.066 0.000 0.827 447 A HN 0.450 nan 8.150 nan 0.000 0.443 448 E N -0.058 120.221 120.200 0.131 0.000 2.058 448 E HA -0.164 4.352 4.350 0.277 0.000 0.194 448 E C 2.249 178.936 176.600 0.144 0.000 0.997 448 E CA 1.517 57.992 56.400 0.125 0.000 0.801 448 E CB -0.200 29.555 29.700 0.091 0.000 0.746 448 E HN 0.578 nan 8.360 nan 0.000 0.450 449 R N -1.109 119.484 120.500 0.155 0.000 2.090 449 R HA -0.077 4.429 4.340 0.277 0.000 0.228 449 R C 2.315 178.749 176.300 0.223 0.000 1.110 449 R CA 1.094 57.293 56.100 0.165 0.000 0.973 449 R CB -0.425 29.968 30.300 0.155 0.000 0.869 449 R HN 0.234 nan 8.270 nan 0.000 0.440 450 F N 1.312 121.335 119.950 0.121 0.000 2.102 450 F HA -0.202 4.491 4.527 0.277 0.000 0.298 450 F C 1.932 177.852 175.800 0.201 0.000 1.105 450 F CA 1.277 59.361 58.000 0.140 0.000 1.239 450 F CB -0.263 38.752 39.000 0.025 0.000 0.991 450 F HN -0.089 nan 8.300 nan 0.000 0.474 451 L N 0.933 122.231 121.223 0.124 0.000 2.109 451 L HA -0.094 4.412 4.340 0.277 0.000 0.207 451 L C 2.456 179.373 176.870 0.078 0.000 1.086 451 L CA 1.697 56.582 54.840 0.074 0.000 0.760 451 L CB -1.121 41.050 42.059 0.188 0.000 0.910 451 L HN 0.202 nan 8.230 nan 0.000 0.437 452 K N -0.623 119.833 120.400 0.093 0.000 1.991 452 K HA -0.230 4.256 4.320 0.277 0.000 0.212 452 K C 1.968 178.613 176.600 0.076 0.000 1.049 452 K CA 1.736 58.072 56.287 0.082 0.000 0.932 452 K CB -0.256 32.295 32.500 0.085 0.000 0.717 452 K HN 0.364 nan 8.250 nan 0.000 0.441 453 A N 0.920 123.795 122.820 0.092 0.000 1.851 453 A HA -0.193 4.293 4.320 0.277 0.000 0.216 453 A C 2.071 179.727 177.584 0.119 0.000 1.195 453 A CA 1.635 53.736 52.037 0.107 0.000 0.622 453 A CB -1.058 18.038 19.000 0.161 0.000 0.831 453 A HN 0.531 nan 8.150 nan 0.000 0.444 454 F N 0.789 120.686 119.950 -0.089 0.000 2.120 454 F HA -0.164 4.529 4.527 0.277 0.000 0.300 454 F C 1.963 177.836 175.800 0.121 0.000 1.095 454 F CA 2.096 60.062 58.000 -0.057 0.000 1.249 454 F CB -0.217 38.521 39.000 -0.437 0.000 0.995 454 F HN 0.152 nan 8.300 nan 0.000 0.480 455 K N -0.166 120.246 120.400 0.020 0.000 2.574 455 K HA -0.084 4.402 4.320 0.277 0.000 0.193 455 K C 0.533 177.159 176.600 0.045 0.000 1.035 455 K CA 0.890 57.172 56.287 -0.009 0.000 0.982 455 K CB -0.123 32.393 32.500 0.025 0.000 0.795 455 K HN 0.370 nan 8.250 nan 0.000 0.491 456 E N -0.481 119.733 120.200 0.023 0.000 3.306 456 E HA 0.092 4.608 4.350 0.277 0.000 0.197 456 E C -0.098 176.479 176.600 -0.037 0.000 0.980 456 E CA -0.300 56.106 56.400 0.010 0.000 1.259 456 E CB 1.104 30.815 29.700 0.018 0.000 1.112 456 E HN 0.321 nan 8.360 nan 0.000 0.458 457 G N 2.473 111.205 108.800 -0.113 0.000 2.439 457 G HA2 -0.346 3.780 3.960 0.277 0.000 0.305 457 G HA3 -0.346 3.780 3.960 0.277 0.000 0.305 457 G C 0.034 174.884 174.900 -0.083 0.000 0.966 457 G CA 1.081 46.087 45.100 -0.156 0.000 0.890 457 G HN 0.167 nan 8.290 nan 0.000 0.513 458 K N -0.641 119.743 120.400 -0.027 0.000 2.318 458 K HA 0.392 4.878 4.320 0.277 0.000 0.249 458 K C -0.693 175.921 176.600 0.023 0.000 0.942 458 K CA -1.144 55.140 56.287 -0.005 0.000 0.808 458 K CB 1.215 33.723 32.500 0.013 0.000 1.189 458 K HN 0.027 nan 8.250 nan 0.000 0.428 459 N N 1.905 120.601 118.700 -0.006 0.000 2.444 459 N HA 0.127 5.033 4.740 0.277 0.000 0.271 459 N C -0.896 174.604 175.510 -0.017 0.000 1.069 459 N CA -0.303 52.709 53.050 -0.063 0.000 0.965 459 N CB 0.215 38.630 38.487 -0.119 0.000 1.092 459 N HN 0.371 nan 8.380 nan 0.000 0.476 460 Y N -0.859 119.526 120.300 0.142 0.000 2.314 460 Y HA 0.356 5.072 4.550 0.277 0.000 0.334 460 Y C 0.525 176.534 175.900 0.182 0.000 1.266 460 Y CA -1.208 57.005 58.100 0.188 0.000 1.391 460 Y CB 0.353 38.996 38.460 0.304 0.000 1.306 460 Y HN 0.348 nan 8.280 nan 0.000 0.558 461 D N 2.123 122.762 120.400 0.399 0.000 2.390 461 D HA -0.002 4.804 4.640 0.277 0.000 0.249 461 D C 0.924 177.451 176.300 0.379 0.000 1.144 461 D CA -0.107 54.057 54.000 0.272 0.000 0.880 461 D CB 1.136 42.056 40.800 0.200 0.000 1.182 461 D HN 0.729 nan 8.370 nan 0.000 0.451 462 K N 3.382 123.925 120.400 0.240 0.000 2.063 462 K HA -0.185 4.301 4.320 0.277 0.000 0.208 462 K C 1.501 178.243 176.600 0.236 0.000 1.048 462 K CA 1.258 57.690 56.287 0.241 0.000 0.928 462 K CB -0.237 32.326 32.500 0.106 0.000 0.713 462 K HN 0.510 nan 8.250 nan 0.000 0.442 463 A N 1.452 124.367 122.820 0.159 0.000 1.972 463 A HA -0.172 4.314 4.320 0.277 0.000 0.219 463 A C 1.663 179.309 177.584 0.104 0.000 1.169 463 A CA 1.909 54.010 52.037 0.107 0.000 0.635 463 A CB -0.362 18.677 19.000 0.065 0.000 0.810 463 A HN 0.362 nan 8.150 nan 0.000 0.446 464 D N -1.144 119.347 120.400 0.153 0.000 2.117 464 D HA -0.098 4.708 4.640 0.277 0.000 0.198 464 D C 1.594 177.905 176.300 0.019 0.000 0.982 464 D CA 1.024 55.090 54.000 0.110 0.000 0.828 464 D CB -0.473 40.447 40.800 0.200 0.000 0.967 464 D HN 0.496 nan 8.370 nan 0.000 0.464 465 F N 1.706 121.619 119.950 -0.062 0.000 2.126 465 F HA -0.172 4.522 4.527 0.278 0.000 0.299 465 F C 2.214 177.909 175.800 -0.175 0.000 1.096 465 F CA 1.479 59.335 58.000 -0.240 0.000 1.255 465 F CB 0.131 39.090 39.000 -0.069 0.000 0.997 465 F HN -0.104 nan 8.300 nan 0.000 0.479 466 E N -0.668 119.637 120.200 0.174 0.000 2.072 466 E HA -0.179 4.337 4.350 0.277 0.000 0.191 466 E C 2.116 178.687 176.600 -0.048 0.000 0.985 466 E CA 1.761 58.206 56.400 0.075 0.000 0.801 466 E CB -0.243 29.521 29.700 0.106 0.000 0.750 466 E HN 0.348 nan 8.360 nan 0.000 0.452 467 T N 1.321 115.833 114.554 -0.069 0.000 2.684 467 T HA -0.174 4.342 4.350 0.277 0.000 0.267 467 T C 1.873 176.445 174.700 -0.213 0.000 1.036 467 T CA 1.044 63.096 62.100 -0.081 0.000 1.148 467 T CB -0.223 68.602 68.868 -0.072 0.000 0.863 467 T HN 0.096 nan 8.240 nan 0.000 0.436 468 L N 0.515 121.484 121.223 -0.424 0.000 2.017 468 L HA -0.138 4.368 4.340 0.277 0.000 0.208 468 L C 2.891 179.142 176.870 -1.032 0.000 1.073 468 L CA 1.429 55.780 54.840 -0.814 0.000 0.745 468 L CB -0.637 40.900 42.059 -0.870 0.000 0.894 468 L HN 0.272 nan 8.230 nan 0.000 0.432 469 Q N -0.509 118.905 119.800 -0.645 0.000 2.077 469 Q HA -0.304 4.202 4.340 0.277 0.000 0.206 469 Q C 2.256 178.125 176.000 -0.218 0.000 0.989 469 Q CA 2.374 57.958 55.803 -0.365 0.000 0.853 469 Q CB -0.347 28.266 28.738 -0.209 0.000 0.907 469 Q HN 0.495 nan 8.270 nan 0.000 0.418 470 Y N 0.523 120.671 120.300 -0.255 0.000 2.181 470 Y HA -0.220 4.496 4.550 0.277 0.000 0.288 470 Y C 2.167 177.962 175.900 -0.176 0.000 1.146 470 Y CA 2.067 60.072 58.100 -0.157 0.000 1.164 470 Y CB -0.592 37.799 38.460 -0.115 0.000 0.982 470 Y HN 0.078 nan 8.280 nan 0.000 0.515 471 T N 1.033 115.341 114.554 -0.409 0.000 2.684 471 T HA -0.179 4.337 4.350 0.277 0.000 0.267 471 T C 1.526 176.004 174.700 -0.371 0.000 1.036 471 T CA 1.917 63.737 62.100 -0.466 0.000 1.148 471 T CB -0.615 67.960 68.868 -0.488 0.000 0.863 471 T HN 0.277 nan 8.240 nan 0.000 0.436 472 F N 1.475 121.256 119.950 -0.281 0.000 2.171 472 F HA 0.038 4.730 4.527 0.275 0.000 0.300 472 F C 2.473 178.129 175.800 -0.240 0.000 1.090 472 F CA 0.369 58.199 58.000 -0.282 0.000 1.293 472 F CB -1.018 37.822 39.000 -0.266 0.000 1.013 472 F HN 0.274 nan 8.300 nan 0.000 0.486 473 E N 0.451 120.615 120.200 -0.061 0.000 2.058 473 E HA -0.283 4.233 4.350 0.277 0.000 0.194 473 E C 2.435 178.962 176.600 -0.123 0.000 0.997 473 E CA 1.332 57.684 56.400 -0.080 0.000 0.801 473 E CB -0.053 29.604 29.700 -0.071 0.000 0.746 473 E HN 0.103 nan 8.360 nan 0.000 0.450 474 R N 0.176 120.519 120.500 -0.261 0.000 2.096 474 R HA -0.071 4.435 4.340 0.277 0.000 0.235 474 R C 2.275 178.560 176.300 -0.024 0.000 1.127 474 R CA 1.672 57.645 56.100 -0.211 0.000 0.968 474 R CB -0.256 29.784 30.300 -0.432 0.000 0.861 474 R HN 0.294 nan 8.270 nan 0.000 0.440 475 M N -0.006 119.577 119.600 -0.029 0.000 2.117 475 M HA -0.185 4.461 4.480 0.277 0.000 0.262 475 M C 1.970 178.322 176.300 0.088 0.000 1.065 475 M CA 1.901 57.219 55.300 0.030 0.000 1.114 475 M CB -0.181 32.192 32.600 -0.379 0.000 1.361 475 M HN 0.052 nan 8.290 nan 0.000 0.408 476 K N 0.078 120.474 120.400 -0.006 0.000 2.057 476 K HA -0.142 4.344 4.320 0.277 0.000 0.206 476 K C 1.810 178.440 176.600 0.049 0.000 1.050 476 K CA 1.338 57.636 56.287 0.018 0.000 0.935 476 K CB -0.205 32.285 32.500 -0.018 0.000 0.715 476 K HN 0.434 nan 8.250 nan 0.000 0.439 477 E N 0.710 120.931 120.200 0.035 0.000 2.058 477 E HA -0.156 4.360 4.350 0.277 0.000 0.194 477 E C 2.181 178.814 176.600 0.054 0.000 0.997 477 E CA 1.488 57.907 56.400 0.032 0.000 0.801 477 E CB -0.018 29.692 29.700 0.017 0.000 0.746 477 E HN 0.147 nan 8.360 nan 0.000 0.450 478 S N 0.794 116.557 115.700 0.104 0.000 2.359 478 S HA -0.212 4.424 4.470 0.277 0.000 0.224 478 S C 2.154 176.801 174.600 0.078 0.000 1.035 478 S CA 1.061 59.332 58.200 0.119 0.000 1.018 478 S CB -0.355 62.984 63.200 0.233 0.000 0.876 478 S HN 0.411 nan 8.310 nan 0.000 0.448 479 A N 2.308 125.234 122.820 0.177 0.000 1.865 479 A HA -0.201 4.285 4.320 0.277 0.000 0.217 479 A C 1.875 179.458 177.584 -0.003 0.000 1.191 479 A CA 1.882 53.977 52.037 0.096 0.000 0.623 479 A CB -0.864 18.289 19.000 0.255 0.000 0.826 479 A HN 0.383 nan 8.150 nan 0.000 0.444 480 D N -0.181 120.233 120.400 0.024 0.000 2.144 480 D HA -0.104 4.702 4.640 0.277 0.000 0.199 480 D C 1.894 178.179 176.300 -0.025 0.000 0.984 480 D CA 1.223 55.224 54.000 0.001 0.000 0.834 480 D CB -0.302 40.507 40.800 0.014 0.000 0.955 480 D HN 0.538 nan 8.370 nan 0.000 0.465 481 I N 0.554 121.109 120.570 -0.025 0.000 2.252 481 I HA -0.208 4.128 4.170 0.277 0.000 0.245 481 I C 2.434 178.507 176.117 -0.075 0.000 1.102 481 I CA 0.546 61.822 61.300 -0.039 0.000 1.385 481 I CB -0.093 37.891 38.000 -0.026 0.000 1.064 481 I HN -0.048 nan 8.210 nan 0.000 0.414 482 L N 0.121 121.278 121.223 -0.110 0.000 2.046 482 L HA -0.234 4.272 4.340 0.277 0.000 0.208 482 L C 2.559 179.323 176.870 -0.176 0.000 1.077 482 L CA 1.292 56.027 54.840 -0.175 0.000 0.747 482 L CB -0.566 41.319 42.059 -0.290 0.000 0.896 482 L HN 0.270 nan 8.230 nan 0.000 0.432 483 L N -0.914 120.209 121.223 -0.166 0.000 2.043 483 L HA -0.265 4.241 4.340 0.277 0.000 0.212 483 L C 2.380 179.192 176.870 -0.098 0.000 1.075 483 L CA 1.282 56.033 54.840 -0.149 0.000 0.752 483 L CB -0.286 41.706 42.059 -0.111 0.000 0.891 483 L HN 0.398 nan 8.230 nan 0.000 0.432 484 M N -1.319 118.236 119.600 -0.075 0.000 2.495 484 M HA 0.054 4.700 4.480 0.277 0.000 0.237 484 M C 0.662 176.926 176.300 -0.059 0.000 1.131 484 M CA 0.144 55.411 55.300 -0.054 0.000 1.032 484 M CB -0.976 31.601 32.600 -0.038 0.000 1.513 484 M HN 0.164 nan 8.290 nan 0.000 0.488 485 N N 2.005 120.659 118.700 -0.077 0.000 2.497 485 N HA 0.008 4.914 4.740 0.277 0.000 0.268 485 N C 0.327 175.794 175.510 -0.072 0.000 1.171 485 N CA 0.763 53.768 53.050 -0.076 0.000 0.948 485 N CB 1.109 39.540 38.487 -0.092 0.000 1.069 485 N HN 0.205 nan 8.380 nan 0.000 0.460 486 T N -0.302 114.216 114.554 -0.061 0.000 3.132 486 T HA 0.129 4.645 4.350 0.277 0.000 0.274 486 T C 1.070 175.736 174.700 -0.057 0.000 1.011 486 T CA -0.375 61.691 62.100 -0.056 0.000 0.899 486 T CB 0.223 69.064 68.868 -0.044 0.000 1.089 486 T HN 0.612 nan 8.240 nan 0.000 0.543 487 E N 1.790 121.952 120.200 -0.063 0.000 2.076 487 E HA -0.035 4.481 4.350 0.277 0.000 0.190 487 E C 0.501 177.058 176.600 -0.072 0.000 0.979 487 E CA 0.498 56.860 56.400 -0.063 0.000 0.807 487 E CB 0.205 29.866 29.700 -0.064 0.000 0.761 487 E HN 0.344 nan 8.360 nan 0.000 0.454 488 N N 0.348 118.996 118.700 -0.086 0.000 2.762 488 N HA 0.095 5.001 4.740 0.277 0.000 0.252 488 N C -0.266 175.184 175.510 -0.100 0.000 1.269 488 N CA -0.097 52.893 53.050 -0.100 0.000 0.799 488 N CB 0.758 39.173 38.487 -0.120 0.000 1.173 488 N HN 0.009 nan 8.380 nan 0.000 0.516 489 K N 0.862 121.212 120.400 -0.083 0.000 2.057 489 K HA -0.062 4.424 4.320 0.277 0.000 0.207 489 K C -0.988 175.564 176.600 -0.080 0.000 1.049 489 K CA 1.374 57.616 56.287 -0.075 0.000 0.931 489 K CB -0.369 32.097 32.500 -0.057 0.000 0.714 489 K HN 0.360 nan 8.250 nan 0.000 0.440 490 P HA -0.178 nan 4.420 nan 0.000 0.216 490 P C 1.341 178.579 177.300 -0.103 0.000 1.150 490 P CA 0.856 63.902 63.100 -0.089 0.000 0.837 490 P CB 0.075 31.708 31.700 -0.112 0.000 0.786 491 L N -0.715 120.430 121.223 -0.129 0.000 2.012 491 L HA -0.160 4.346 4.340 0.277 0.000 0.210 491 L C 2.005 178.793 176.870 -0.136 0.000 1.073 491 L CA 2.039 56.794 54.840 -0.142 0.000 0.748 491 L CB -1.264 40.700 42.059 -0.159 0.000 0.891 491 L HN -0.155 nan 8.230 nan 0.000 0.431 492 I N -0.918 119.572 120.570 -0.133 0.000 2.226 492 I HA -0.224 4.112 4.170 0.277 0.000 0.245 492 I C 2.630 178.679 176.117 -0.113 0.000 1.100 492 I CA 1.185 62.398 61.300 -0.145 0.000 1.374 492 I CB -1.571 36.348 38.000 -0.135 0.000 1.057 492 I HN 0.118 nan 8.210 nan 0.000 0.413 493 V N 1.065 120.934 119.914 -0.075 0.000 2.252 493 V HA -0.302 3.985 4.120 0.277 0.000 0.249 493 V C 2.515 178.605 176.094 -0.007 0.000 1.056 493 V CA 1.947 64.226 62.300 -0.034 0.000 1.022 493 V CB -0.764 31.049 31.823 -0.017 0.000 0.641 493 V HN 0.420 nan 8.190 nan 0.000 0.445 494 E N 0.121 120.307 120.200 -0.023 0.000 2.070 494 E HA -0.233 4.283 4.350 0.277 0.000 0.197 494 E C 2.041 178.612 176.600 -0.048 0.000 1.004 494 E CA 2.045 58.430 56.400 -0.024 0.000 0.805 494 E CB -0.267 29.387 29.700 -0.076 0.000 0.744 494 E HN 0.843 nan 8.360 nan 0.000 0.451 495 I N -2.010 118.513 120.570 -0.078 0.000 3.578 495 I HA 0.047 4.383 4.170 0.277 0.000 0.295 495 I C 1.824 177.977 176.117 0.059 0.000 1.280 495 I CA 0.364 61.655 61.300 -0.014 0.000 1.347 495 I CB 0.006 37.910 38.000 -0.161 0.000 1.051 495 I HN -0.132 nan 8.210 nan 0.000 0.460 496 T N 2.831 117.361 114.554 -0.040 0.000 2.653 496 T HA -0.100 4.416 4.350 0.277 0.000 0.268 496 T C -0.358 174.248 174.700 -0.157 0.000 1.035 496 T CA 2.494 64.493 62.100 -0.168 0.000 1.154 496 T CB -1.145 67.633 68.868 -0.149 0.000 0.862 496 T HN 0.384 nan 8.240 nan 0.000 0.441 497 P HA -0.052 nan 4.420 nan 0.000 0.217 497 P C 1.300 178.520 177.300 -0.134 0.000 1.150 497 P CA 0.884 63.918 63.100 -0.111 0.000 0.832 497 P CB -0.164 31.311 31.700 -0.376 0.000 0.787 498 W N -0.673 120.637 121.300 0.017 0.000 2.388 498 W HA -0.073 4.765 4.660 0.296 0.000 0.294 498 W C 1.957 178.605 176.519 0.215 0.000 1.212 498 W CA 0.611 58.036 57.345 0.133 0.000 1.271 498 W CB -1.022 28.559 29.460 0.202 0.000 1.126 498 W HN -0.199 nan 8.180 nan 0.000 0.535 499 V N 0.138 120.162 119.914 0.183 0.000 2.287 499 V HA -0.337 3.949 4.120 0.277 0.000 0.248 499 V C 2.288 178.440 176.094 0.095 0.000 1.053 499 V CA 1.959 64.227 62.300 -0.054 0.000 1.027 499 V CB -1.152 30.412 31.823 -0.432 0.000 0.646 499 V HN 0.150 nan 8.190 nan 0.000 0.447 500 H N -0.380 118.730 119.070 0.067 0.000 2.319 500 H HA -0.206 4.517 4.556 0.278 0.000 0.299 500 H C 2.379 177.739 175.328 0.053 0.000 1.092 500 H CA 2.246 58.313 56.048 0.032 0.000 1.302 500 H CB -0.283 29.463 29.762 -0.025 0.000 1.373 500 H HN 0.416 nan 8.280 nan 0.000 0.497 501 Q N 0.043 119.956 119.800 0.188 0.000 2.119 501 Q HA -0.108 4.398 4.340 0.277 0.000 0.201 501 Q C 2.203 178.311 176.000 0.179 0.000 0.972 501 Q CA 1.077 56.949 55.803 0.115 0.000 0.847 501 Q CB -0.480 28.279 28.738 0.035 0.000 0.903 501 Q HN 0.353 nan 8.270 nan 0.000 0.433 502 F N 0.763 120.796 119.950 0.139 0.000 2.102 502 F HA -0.135 4.561 4.527 0.282 0.000 0.298 502 F C 2.096 177.943 175.800 0.078 0.000 1.105 502 F CA 1.904 60.001 58.000 0.161 0.000 1.239 502 F CB -0.204 39.023 39.000 0.379 0.000 0.991 502 F HN 0.032 nan 8.300 nan 0.000 0.474 503 K N 0.422 120.935 120.400 0.187 0.000 2.032 503 K HA -0.189 4.297 4.320 0.277 0.000 0.209 503 K C 2.162 178.712 176.600 -0.084 0.000 1.048 503 K CA 1.925 58.224 56.287 0.020 0.000 0.927 503 K CB -0.439 32.115 32.500 0.091 0.000 0.712 503 K HN 0.389 nan 8.250 nan 0.000 0.441 504 L N 0.606 121.799 121.223 -0.050 0.000 2.042 504 L HA -0.211 4.295 4.340 0.277 0.000 0.210 504 L C 2.447 179.192 176.870 -0.208 0.000 1.076 504 L CA 1.756 56.526 54.840 -0.117 0.000 0.749 504 L CB -0.693 41.316 42.059 -0.084 0.000 0.893 504 L HN 0.334 nan 8.230 nan 0.000 0.432 505 T N -0.158 114.274 114.554 -0.203 0.000 2.684 505 T HA -0.245 4.271 4.350 0.277 0.000 0.267 505 T C 1.979 176.402 174.700 -0.462 0.000 1.036 505 T CA 1.496 63.421 62.100 -0.292 0.000 1.148 505 T CB -0.339 68.390 68.868 -0.231 0.000 0.863 505 T HN 0.479 nan 8.240 nan 0.000 0.436 506 A N 1.490 124.036 122.820 -0.455 0.000 1.902 506 A HA -0.131 4.355 4.320 0.277 0.000 0.217 506 A C 2.232 179.518 177.584 -0.497 0.000 1.181 506 A CA 1.609 53.346 52.037 -0.501 0.000 0.623 506 A CB -0.556 18.249 19.000 -0.325 0.000 0.818 506 A HN 0.579 nan 8.150 nan 0.000 0.443 507 E N -0.968 119.020 120.200 -0.352 0.000 2.085 507 E HA -0.228 4.288 4.350 0.277 0.000 0.194 507 E C 2.059 178.398 176.600 -0.435 0.000 0.994 507 E CA 1.430 57.636 56.400 -0.324 0.000 0.801 507 E CB -0.268 29.279 29.700 -0.254 0.000 0.743 507 E HN 0.725 nan 8.360 nan 0.000 0.453 508 M N 0.467 119.787 119.600 -0.467 0.000 2.117 508 M HA -0.119 4.527 4.480 0.277 0.000 0.262 508 M C 2.255 178.224 176.300 -0.552 0.000 1.065 508 M CA 1.975 56.985 55.300 -0.484 0.000 1.114 508 M CB -0.301 32.042 32.600 -0.427 0.000 1.361 508 M HN 0.163 nan 8.290 nan 0.000 0.408 509 G N 0.072 108.362 108.800 -0.851 0.000 2.469 509 G HA2 -0.264 3.862 3.960 0.277 0.000 0.219 509 G HA3 -0.264 3.862 3.960 0.277 0.000 0.219 509 G C 1.263 175.739 174.900 -0.706 0.000 1.150 509 G CA 1.277 45.594 45.100 -1.305 0.000 0.763 509 G HN 0.612 nan 8.290 nan 0.000 0.561 510 E N 0.020 119.919 120.200 -0.502 0.000 2.072 510 E HA -0.086 4.430 4.350 0.277 0.000 0.191 510 E C 2.570 179.090 176.600 -0.132 0.000 0.985 510 E CA 0.837 57.147 56.400 -0.150 0.000 0.801 510 E CB -0.018 29.622 29.700 -0.101 0.000 0.750 510 E HN 0.306 nan 8.360 nan 0.000 0.452 511 E N 0.510 120.577 120.200 -0.222 0.000 2.077 511 E HA -0.138 4.378 4.350 0.277 0.000 0.193 511 E C 2.321 178.844 176.600 -0.128 0.000 0.989 511 E CA 0.679 56.964 56.400 -0.191 0.000 0.800 511 E CB -0.313 29.188 29.700 -0.331 0.000 0.746 511 E HN 0.114 nan 8.360 nan 0.000 0.452 512 V N 1.601 121.429 119.914 -0.143 0.000 2.407 512 V HA -0.221 4.065 4.120 0.277 0.000 0.248 512 V C 2.480 178.593 176.094 0.033 0.000 1.055 512 V CA 1.248 63.533 62.300 -0.026 0.000 1.049 512 V CB -0.477 31.335 31.823 -0.019 0.000 0.662 512 V HN 0.206 nan 8.190 nan 0.000 0.455 513 L N -0.703 120.508 121.223 -0.020 0.000 2.141 513 L HA -0.157 4.349 4.340 0.277 0.000 0.209 513 L C 2.516 179.542 176.870 0.261 0.000 1.094 513 L CA 1.466 56.313 54.840 0.012 0.000 0.763 513 L CB -0.534 41.339 42.059 -0.311 0.000 0.908 513 L HN 0.287 nan 8.230 nan 0.000 0.437 514 K N -0.289 120.228 120.400 0.196 0.000 2.148 514 K HA -0.117 4.369 4.320 0.277 0.000 0.204 514 K C 2.141 178.933 176.600 0.320 0.000 1.050 514 K CA 1.240 57.708 56.287 0.301 0.000 0.942 514 K CB -0.074 32.573 32.500 0.245 0.000 0.724 514 K HN 0.228 nan 8.250 nan 0.000 0.446 515 M N 0.191 119.894 119.600 0.172 0.000 2.117 515 M HA -0.177 4.469 4.480 0.277 0.000 0.262 515 M C 2.093 178.671 176.300 0.463 0.000 1.065 515 M CA 1.306 56.715 55.300 0.182 0.000 1.114 515 M CB -0.165 32.398 32.600 -0.062 0.000 1.361 515 M HN -0.060 nan 8.290 nan 0.000 0.408 516 V N 0.281 120.433 119.914 0.396 0.000 2.332 516 V HA -0.278 4.008 4.120 0.277 0.000 0.248 516 V C 2.049 178.413 176.094 0.450 0.000 1.055 516 V CA 1.993 64.547 62.300 0.423 0.000 1.038 516 V CB -0.718 31.262 31.823 0.262 0.000 0.651 516 V HN 0.484 nan 8.190 nan 0.000 0.450 517 E N 0.054 120.498 120.200 0.406 0.000 2.106 517 E HA -0.031 4.485 4.350 0.277 0.000 0.192 517 E C 1.708 178.504 176.600 0.326 0.000 0.984 517 E CA 0.620 57.199 56.400 0.298 0.000 0.806 517 E CB -0.381 29.468 29.700 0.248 0.000 0.750 517 E HN 0.663 nan 8.360 nan 0.000 0.458 518 G N 2.678 111.748 108.800 0.450 0.000 2.467 518 G HA2 -0.386 3.740 3.960 0.277 0.000 0.302 518 G HA3 -0.386 3.740 3.960 0.277 0.000 0.302 518 G C 0.795 175.947 174.900 0.419 0.000 0.930 518 G CA 1.016 46.439 45.100 0.539 0.000 1.008 518 G HN 0.374 nan 8.290 nan 0.000 0.512 519 R N -0.118 120.528 120.500 0.243 0.000 2.190 519 R HA -0.286 4.220 4.340 0.277 0.000 0.255 519 R C 0.939 177.342 176.300 0.171 0.000 1.143 519 R CA 2.036 58.202 56.100 0.109 0.000 0.965 519 R CB -0.867 29.381 30.300 -0.086 0.000 0.889 519 R HN 0.852 nan 8.270 nan 0.000 0.448 520 N N -1.839 117.009 118.700 0.247 0.000 2.853 520 N HA 0.064 4.970 4.740 0.277 0.000 0.258 520 N C -0.158 175.517 175.510 0.275 0.000 1.444 520 N CA -0.672 52.518 53.050 0.233 0.000 0.837 520 N CB 1.161 39.744 38.487 0.161 0.000 1.489 520 N HN 0.017 nan 8.380 nan 0.000 0.529 521 E N -0.173 120.119 120.200 0.154 0.000 2.085 521 E HA -0.252 4.264 4.350 0.277 0.000 0.194 521 E C 1.293 177.985 176.600 0.153 0.000 0.994 521 E CA 1.738 58.163 56.400 0.042 0.000 0.801 521 E CB -0.065 29.482 29.700 -0.254 0.000 0.743 521 E HN 0.555 nan 8.360 nan 0.000 0.453 522 S N -0.742 115.044 115.700 0.143 0.000 2.356 522 S HA -0.225 4.411 4.470 0.277 0.000 0.223 522 S C 1.945 176.656 174.600 0.186 0.000 1.032 522 S CA 1.379 59.663 58.200 0.140 0.000 1.005 522 S CB -0.541 62.732 63.200 0.122 0.000 0.867 522 S HN 0.538 nan 8.310 nan 0.000 0.449 523 Y N 0.894 121.264 120.300 0.117 0.000 2.145 523 Y HA -0.088 4.628 4.550 0.277 0.000 0.286 523 Y C 1.977 177.960 175.900 0.139 0.000 1.145 523 Y CA 1.945 60.115 58.100 0.117 0.000 1.148 523 Y CB -0.852 37.685 38.460 0.128 0.000 0.981 523 Y HN 0.413 nan 8.280 nan 0.000 0.507 524 F N 0.090 120.107 119.950 0.113 0.000 2.120 524 F HA -0.284 4.409 4.527 0.277 0.000 0.300 524 F C 1.932 177.636 175.800 -0.160 0.000 1.095 524 F CA 1.806 59.792 58.000 -0.024 0.000 1.249 524 F CB -0.420 38.589 39.000 0.014 0.000 0.995 524 F HN 0.054 nan 8.300 nan 0.000 0.480 525 L N -0.401 120.856 121.223 0.058 0.000 2.141 525 L HA -0.153 4.353 4.340 0.277 0.000 0.209 525 L C 2.587 179.442 176.870 -0.024 0.000 1.094 525 L CA 1.068 55.899 54.840 -0.015 0.000 0.763 525 L CB -0.494 41.575 42.059 0.016 0.000 0.908 525 L HN 0.050 nan 8.230 nan 0.000 0.437 526 R N -0.301 120.150 120.500 -0.083 0.000 2.075 526 R HA -0.109 4.397 4.340 0.277 0.000 0.232 526 R C 2.323 178.522 176.300 -0.168 0.000 1.126 526 R CA 0.917 56.947 56.100 -0.116 0.000 0.963 526 R CB -0.039 30.179 30.300 -0.137 0.000 0.858 526 R HN 0.173 nan 8.270 nan 0.000 0.435 527 K N 0.016 120.230 120.400 -0.311 0.000 2.057 527 K HA -0.182 4.304 4.320 0.277 0.000 0.206 527 K C 1.949 178.426 176.600 -0.205 0.000 1.050 527 K CA 1.289 57.400 56.287 -0.293 0.000 0.935 527 K CB -0.568 31.674 32.500 -0.430 0.000 0.715 527 K HN 0.264 nan 8.250 nan 0.000 0.439 528 Y N 2.966 123.035 120.300 -0.386 0.000 2.128 528 Y HA -0.241 4.475 4.550 0.277 0.000 0.284 528 Y C 1.821 177.668 175.900 -0.088 0.000 1.154 528 Y CA 1.694 59.649 58.100 -0.242 0.000 1.149 528 Y CB -0.293 37.962 38.460 -0.342 0.000 0.976 528 Y HN 0.102 nan 8.280 nan 0.000 0.505 529 N N -0.631 118.025 118.700 -0.073 0.000 2.166 529 N HA -0.219 4.687 4.740 0.277 0.000 0.186 529 N C 1.879 177.316 175.510 -0.121 0.000 1.019 529 N CA 1.735 54.712 53.050 -0.122 0.000 0.856 529 N CB -0.826 37.660 38.487 -0.003 0.000 0.993 529 N HN 0.649 nan 8.380 nan 0.000 0.426 530 H N 0.350 119.293 119.070 -0.211 0.000 2.321 530 H HA -0.041 4.681 4.556 0.277 0.000 0.300 530 H C 1.858 177.029 175.328 -0.262 0.000 1.087 530 H CA 1.150 57.072 56.048 -0.210 0.000 1.319 530 H CB 0.308 29.956 29.762 -0.190 0.000 1.379 530 H HN -0.097 nan 8.280 nan 0.000 0.501 531 V N 1.393 121.142 119.914 -0.275 0.000 2.287 531 V HA -0.287 3.999 4.120 0.277 0.000 0.248 531 V C 2.456 178.279 176.094 -0.452 0.000 1.053 531 V CA 1.776 63.816 62.300 -0.435 0.000 1.027 531 V CB -0.395 31.133 31.823 -0.491 0.000 0.646 531 V HN 0.380 nan 8.190 nan 0.000 0.447 532 K N 0.377 120.501 120.400 -0.460 0.000 2.074 532 K HA -0.153 4.333 4.320 0.277 0.000 0.209 532 K C 2.235 178.668 176.600 -0.279 0.000 1.048 532 K CA 1.838 57.893 56.287 -0.386 0.000 0.926 532 K CB -1.008 31.260 32.500 -0.386 0.000 0.713 532 K HN 0.521 nan 8.250 nan 0.000 0.444 533 A N 0.941 123.631 122.820 -0.216 0.000 1.929 533 A HA -0.060 4.426 4.320 0.277 0.000 0.216 533 A C 2.360 179.844 177.584 -0.167 0.000 1.176 533 A CA 0.979 52.915 52.037 -0.168 0.000 0.628 533 A CB -0.518 18.433 19.000 -0.081 0.000 0.816 533 A HN 0.192 nan 8.150 nan 0.000 0.444 534 L N -0.796 120.314 121.223 -0.188 0.000 2.046 534 L HA -0.275 4.231 4.340 0.277 0.000 0.208 534 L C 2.870 179.617 176.870 -0.204 0.000 1.077 534 L CA 1.638 56.351 54.840 -0.212 0.000 0.747 534 L CB -0.678 41.194 42.059 -0.313 0.000 0.896 534 L HN 0.474 nan 8.230 nan 0.000 0.432 535 Q N -0.319 119.335 119.800 -0.244 0.000 2.061 535 Q HA -0.281 4.225 4.340 0.277 0.000 0.204 535 Q C 2.301 178.230 176.000 -0.119 0.000 0.984 535 Q CA 1.750 57.444 55.803 -0.182 0.000 0.846 535 Q CB -0.162 28.456 28.738 -0.201 0.000 0.902 535 Q HN 0.572 nan 8.270 nan 0.000 0.421 536 Q N 0.203 119.849 119.800 -0.257 0.000 2.124 536 Q HA -0.209 4.297 4.340 0.277 0.000 0.202 536 Q C 2.104 178.091 176.000 -0.021 0.000 0.977 536 Q CA 1.239 56.796 55.803 -0.408 0.000 0.850 536 Q CB -0.036 28.320 28.738 -0.636 0.000 0.901 536 Q HN 0.456 nan 8.270 nan 0.000 0.429 537 Q N 0.011 119.793 119.800 -0.029 0.000 2.084 537 Q HA -0.121 4.385 4.340 0.277 0.000 0.202 537 Q C 2.107 178.123 176.000 0.027 0.000 0.978 537 Q CA 1.191 57.014 55.803 0.033 0.000 0.844 537 Q CB -0.081 28.633 28.738 -0.040 0.000 0.898 537 Q HN 0.465 nan 8.270 nan 0.000 0.426 538 M N -0.421 119.168 119.600 -0.020 0.000 2.159 538 M HA -0.152 4.494 4.480 0.277 0.000 0.263 538 M C 2.023 178.310 176.300 -0.021 0.000 1.063 538 M CA 1.277 56.558 55.300 -0.033 0.000 1.110 538 M CB -0.359 32.209 32.600 -0.054 0.000 1.374 538 M HN 0.186 nan 8.290 nan 0.000 0.411 539 F N 0.438 120.300 119.950 -0.148 0.000 2.095 539 F HA -0.261 4.433 4.527 0.278 0.000 0.298 539 F C 1.922 177.530 175.800 -0.320 0.000 1.104 539 F CA 1.682 59.546 58.000 -0.227 0.000 1.232 539 F CB -0.490 38.388 39.000 -0.204 0.000 0.987 539 F HN 0.001 nan 8.300 nan 0.000 0.475 540 Y N 0.096 120.397 120.300 0.000 0.000 2.293 540 Y HA -0.161 4.555 4.550 0.276 0.000 0.291 540 Y C 2.390 178.175 175.900 -0.191 0.000 1.137 540 Y CA 1.399 59.424 58.100 -0.125 0.000 1.202 540 Y CB -0.440 38.004 38.460 -0.026 0.000 0.990 540 Y HN 0.068 nan 8.280 nan 0.000 0.537 541 I N -0.159 120.375 120.570 -0.061 0.000 2.226 541 I HA -0.297 4.039 4.170 0.277 0.000 0.245 541 I C 1.967 177.960 176.117 -0.207 0.000 1.100 541 I CA 1.733 62.959 61.300 -0.122 0.000 1.374 541 I CB -0.287 37.647 38.000 -0.110 0.000 1.057 541 I HN 0.164 nan 8.210 nan 0.000 0.413 542 D N 0.026 120.271 120.400 -0.259 0.000 2.264 542 D HA -0.165 4.641 4.640 0.277 0.000 0.208 542 D C 2.087 178.189 176.300 -0.330 0.000 0.966 542 D CA 0.993 54.821 54.000 -0.286 0.000 0.864 542 D CB 0.222 40.867 40.800 -0.258 0.000 0.933 542 D HN 0.188 nan 8.370 nan 0.000 0.499 543 Q N -1.349 118.201 119.800 -0.416 0.000 2.378 543 Q HA 0.104 4.610 4.340 0.277 0.000 0.216 543 Q C 1.760 177.641 176.000 -0.199 0.000 0.892 543 Q CA 1.027 56.598 55.803 -0.386 0.000 0.931 543 Q CB 0.812 29.175 28.738 -0.625 0.000 1.086 543 Q HN 0.487 nan 8.270 nan 0.000 0.528 544 T N -4.058 110.404 114.554 -0.153 0.000 2.969 544 T HA 0.255 4.771 4.350 0.277 0.000 0.250 544 T C 0.955 175.598 174.700 -0.094 0.000 1.021 544 T CA -0.192 61.855 62.100 -0.088 0.000 1.003 544 T CB 0.358 69.200 68.868 -0.044 0.000 1.040 544 T HN -0.138 nan 8.240 nan 0.000 0.492 545 S N 2.773 118.390 115.700 -0.137 0.000 2.578 545 S HA 0.520 5.156 4.470 0.277 0.000 0.283 545 S C 0.113 174.616 174.600 -0.162 0.000 1.195 545 S CA -0.450 57.658 58.200 -0.155 0.000 1.050 545 S CB 0.908 63.970 63.200 -0.230 0.000 1.012 545 S HN 0.589 nan 8.310 nan 0.000 0.511 546 N N 1.876 120.515 118.700 -0.102 0.000 2.714 546 N HA -0.160 4.746 4.740 0.277 0.000 0.253 546 N C -0.780 174.720 175.510 -0.016 0.000 1.024 546 N CA 0.312 53.344 53.050 -0.029 0.000 0.726 546 N CB -0.721 37.719 38.487 -0.079 0.000 0.908 546 N HN 0.461 nan 8.380 nan 0.000 0.542 547 Q N 0.698 120.485 119.800 -0.023 0.000 3.181 547 Q HA 0.127 4.633 4.340 0.277 0.000 0.293 547 Q C 0.220 176.208 176.000 -0.020 0.000 1.406 547 Q CA -0.167 55.615 55.803 -0.036 0.000 1.026 547 Q CB -0.731 27.978 28.738 -0.049 0.000 1.630 547 Q HN 0.762 nan 8.270 nan 0.000 0.553 548 N N -1.133 117.570 118.700 0.005 0.000 2.445 548 N HA 0.230 5.136 4.740 0.277 0.000 0.264 548 N C -2.065 173.372 175.510 -0.121 0.000 1.227 548 N CA -1.258 51.790 53.050 -0.003 0.000 0.963 548 N CB 0.632 39.183 38.487 0.107 0.000 1.188 548 N HN -0.157 nan 8.380 nan 0.000 0.491 549 P HA -0.017 nan 4.420 nan 0.000 0.226 549 P C -0.146 176.811 177.300 -0.573 0.000 1.153 549 P CA 1.117 63.867 63.100 -0.582 0.000 0.777 549 P CB -0.014 31.074 31.700 -1.020 0.000 0.794 550 Y N -1.300 119.014 120.300 0.024 0.000 2.447 550 Y HA 0.257 4.974 4.550 0.278 0.000 0.286 550 Y C 0.786 176.706 175.900 0.032 0.000 1.153 550 Y CA 0.228 58.342 58.100 0.023 0.000 1.241 550 Y CB -0.476 38.000 38.460 0.026 0.000 1.284 550 Y HN -0.240 nan 8.280 nan 0.000 0.520 551 Q N 1.345 121.263 119.800 0.197 0.000 3.064 551 Q HA 0.314 4.820 4.340 0.277 0.000 0.258 551 Q C -2.861 173.202 176.000 0.104 0.000 0.972 551 Q CA -2.139 53.746 55.803 0.136 0.000 0.761 551 Q CB 1.400 30.232 28.738 0.157 0.000 1.281 551 Q HN 0.069 nan 8.270 nan 0.000 0.455 552 P HA 0.390 nan 4.420 nan 0.000 0.272 552 P C 0.463 177.749 177.300 -0.023 0.000 1.223 552 P CA 0.655 63.757 63.100 0.003 0.000 0.784 552 P CB 1.333 33.008 31.700 -0.041 0.000 0.923 553 G N 0.370 109.129 108.800 -0.068 0.000 2.500 553 G HA2 -0.002 4.124 3.960 0.277 0.000 0.209 553 G HA3 -0.002 4.124 3.960 0.277 0.000 0.209 553 G C -1.593 173.179 174.900 -0.213 0.000 1.283 553 G CA -0.427 44.583 45.100 -0.151 0.000 0.960 553 G HN 0.515 nan 8.290 nan 0.000 0.528 554 V N 1.560 121.304 119.914 -0.283 0.000 2.488 554 V HA 0.613 4.899 4.120 0.277 0.000 0.293 554 V C -0.617 175.341 176.094 -0.228 0.000 1.027 554 V CA -1.048 60.968 62.300 -0.473 0.000 0.862 554 V CB 1.648 33.015 31.823 -0.759 0.000 1.008 554 V HN 0.749 nan 8.190 nan 0.000 0.428 555 K N 2.077 122.415 120.400 -0.104 0.000 2.259 555 K HA 0.843 5.329 4.320 0.277 0.000 0.252 555 K C -0.423 176.175 176.600 -0.005 0.000 0.936 555 K CA -0.551 55.656 56.287 -0.134 0.000 0.810 555 K CB 2.464 34.743 32.500 -0.367 0.000 1.143 555 K HN 0.681 nan 8.250 nan 0.000 0.427 556 T N -0.849 113.735 114.554 0.050 0.000 2.923 556 T HA 0.484 5.000 4.350 0.277 0.000 0.311 556 T C -1.047 173.741 174.700 0.145 0.000 1.183 556 T CA 0.268 62.465 62.100 0.160 0.000 1.020 556 T CB 0.851 69.910 68.868 0.317 0.000 1.165 556 T HN 0.693 nan 8.240 nan 0.000 0.482 557 A N 1.914 124.847 122.820 0.188 0.000 2.687 557 A HA -0.161 4.325 4.320 0.277 0.000 0.299 557 A C 1.290 178.953 177.584 0.131 0.000 1.497 557 A CA 1.999 54.148 52.037 0.187 0.000 0.751 557 A CB -2.656 16.434 19.000 0.150 0.000 1.048 557 A HN 1.622 nan 8.150 nan 0.000 0.464 558 T N -2.957 111.687 114.554 0.149 0.000 3.054 558 T HA 0.057 4.573 4.350 0.277 0.000 0.259 558 T C 1.616 176.397 174.700 0.135 0.000 1.092 558 T CA 1.169 63.356 62.100 0.144 0.000 1.121 558 T CB -0.026 68.972 68.868 0.217 0.000 0.912 558 T HN 0.684 nan 8.240 nan 0.000 0.489 559 R N 0.238 120.821 120.500 0.139 0.000 2.075 559 R HA 0.135 4.641 4.340 0.277 0.000 0.226 559 R C 1.699 178.060 176.300 0.102 0.000 1.114 559 R CA 1.135 57.305 56.100 0.117 0.000 0.972 559 R CB 0.073 30.442 30.300 0.115 0.000 0.869 559 R HN 0.349 nan 8.270 nan 0.000 0.437 560 V N -0.669 119.309 119.914 0.107 0.000 3.029 560 V HA 0.050 4.336 4.120 0.277 0.000 0.230 560 V C 1.906 178.049 176.094 0.083 0.000 1.254 560 V CA 0.286 62.643 62.300 0.095 0.000 1.276 560 V CB 0.082 31.965 31.823 0.100 0.000 1.080 560 V HN 0.160 nan 8.190 nan 0.000 0.495 561 I N 0.522 121.136 120.570 0.073 0.000 2.233 561 I HA -0.173 4.163 4.170 0.277 0.000 0.243 561 I C 2.513 178.653 176.117 0.038 0.000 1.093 561 I CA 1.549 62.881 61.300 0.054 0.000 1.380 561 I CB -0.206 37.795 38.000 0.001 0.000 1.067 561 I HN 0.234 nan 8.210 nan 0.000 0.413 562 K N 1.232 121.647 120.400 0.025 0.000 2.057 562 K HA -0.104 4.382 4.320 0.277 0.000 0.206 562 K C -0.732 175.883 176.600 0.026 0.000 1.050 562 K CA 1.612 57.897 56.287 -0.002 0.000 0.935 562 K CB -1.323 31.181 32.500 0.007 0.000 0.715 562 K HN 0.097 nan 8.250 nan 0.000 0.439 563 P HA -0.153 nan 4.420 nan 0.000 0.215 563 P C 1.323 178.678 177.300 0.091 0.000 1.157 563 P CA 1.044 64.188 63.100 0.073 0.000 0.868 563 P CB -0.063 31.685 31.700 0.081 0.000 0.788 564 L N -0.724 120.559 121.223 0.100 0.000 2.013 564 L HA -0.185 4.321 4.340 0.277 0.000 0.212 564 L C 2.199 179.151 176.870 0.137 0.000 1.073 564 L CA 1.930 56.852 54.840 0.136 0.000 0.753 564 L CB -1.215 40.925 42.059 0.134 0.000 0.890 564 L HN -0.139 nan 8.230 nan 0.000 0.432 565 I N -0.196 120.417 120.570 0.072 0.000 2.179 565 I HA -0.286 4.050 4.170 0.277 0.000 0.242 565 I C 2.099 178.259 176.117 0.072 0.000 1.088 565 I CA 1.504 62.813 61.300 0.015 0.000 1.357 565 I CB -0.630 37.286 38.000 -0.139 0.000 1.051 565 I HN 0.313 nan 8.210 nan 0.000 0.409 566 D N 0.667 121.106 120.400 0.065 0.000 2.117 566 D HA -0.137 4.669 4.640 0.277 0.000 0.197 566 D C 2.381 178.797 176.300 0.193 0.000 0.987 566 D CA 1.229 55.295 54.000 0.110 0.000 0.829 566 D CB -0.210 40.631 40.800 0.069 0.000 0.961 566 D HN 0.282 nan 8.370 nan 0.000 0.460 567 R N -0.038 120.559 120.500 0.162 0.000 2.090 567 R HA -0.013 4.493 4.340 0.277 0.000 0.228 567 R C 2.304 178.728 176.300 0.206 0.000 1.110 567 R CA 1.272 57.469 56.100 0.162 0.000 0.973 567 R CB -0.390 29.996 30.300 0.142 0.000 0.869 567 R HN 0.111 nan 8.270 nan 0.000 0.440 568 T N 1.151 115.858 114.554 0.254 0.000 2.746 568 T HA -0.170 4.346 4.350 0.277 0.000 0.267 568 T C 1.368 176.257 174.700 0.314 0.000 1.039 568 T CA 1.351 63.640 62.100 0.315 0.000 1.142 568 T CB -0.320 68.735 68.868 0.312 0.000 0.866 568 T HN 0.175 nan 8.240 nan 0.000 0.444 569 F N 2.392 122.417 119.950 0.124 0.000 2.069 569 F HA -0.044 4.650 4.527 0.277 0.000 0.298 569 F C 2.494 178.377 175.800 0.137 0.000 1.113 569 F CA 1.160 59.224 58.000 0.107 0.000 1.214 569 F CB -0.827 38.191 39.000 0.031 0.000 0.978 569 F HN 0.142 nan 8.300 nan 0.000 0.474 570 A N -0.397 122.470 122.820 0.079 0.000 1.908 570 A HA -0.205 4.281 4.320 0.277 0.000 0.218 570 A C 2.187 179.695 177.584 -0.126 0.000 1.181 570 A CA 2.448 54.455 52.037 -0.051 0.000 0.627 570 A CB -1.496 17.542 19.000 0.062 0.000 0.818 570 A HN 0.494 nan 8.150 nan 0.000 0.445 571 T N 0.064 114.573 114.554 -0.075 0.000 2.674 571 T HA -0.144 4.372 4.350 0.277 0.000 0.265 571 T C 2.015 176.495 174.700 -0.366 0.000 1.039 571 T CA 2.262 64.187 62.100 -0.291 0.000 1.150 571 T CB -0.888 67.901 68.868 -0.130 0.000 0.864 571 T HN 0.641 nan 8.240 nan 0.000 0.427 572 V N 0.378 120.369 119.914 0.128 0.000 2.490 572 V HA -0.081 4.205 4.120 0.277 0.000 0.250 572 V C 2.432 178.699 176.094 0.289 0.000 1.061 572 V CA 1.151 63.683 62.300 0.386 0.000 1.064 572 V CB -1.356 30.855 31.823 0.647 0.000 0.670 572 V HN 0.307 nan 8.190 nan 0.000 0.461 573 V N 0.515 120.468 119.914 0.065 0.000 2.358 573 V HA -0.240 4.046 4.120 0.277 0.000 0.246 573 V C 2.683 178.802 176.094 0.042 0.000 1.047 573 V CA 2.526 64.847 62.300 0.035 0.000 1.035 573 V CB -0.814 30.852 31.823 -0.261 0.000 0.658 573 V HN 0.655 nan 8.190 nan 0.000 0.452 574 K N -0.253 120.099 120.400 -0.080 0.000 2.020 574 K HA -0.226 4.260 4.320 0.277 0.000 0.212 574 K C 2.113 178.734 176.600 0.035 0.000 1.050 574 K CA 2.110 58.344 56.287 -0.088 0.000 0.929 574 K CB -0.301 32.053 32.500 -0.243 0.000 0.714 574 K HN 0.326 nan 8.250 nan 0.000 0.443 575 F N 0.338 120.307 119.950 0.031 0.000 2.134 575 F HA -0.122 4.571 4.527 0.277 0.000 0.299 575 F C 2.238 178.038 175.800 0.001 0.000 1.097 575 F CA 0.797 58.794 58.000 -0.005 0.000 1.264 575 F CB -1.130 37.869 39.000 -0.000 0.000 1.001 575 F HN 0.077 nan 8.300 nan 0.000 0.479 576 F N 1.408 121.399 119.950 0.068 0.000 2.075 576 F HA -0.250 4.443 4.527 0.277 0.000 0.297 576 F C 2.256 178.075 175.800 0.032 0.000 1.113 576 F CA 1.682 59.647 58.000 -0.058 0.000 1.218 576 F CB -0.520 38.159 39.000 -0.535 0.000 0.984 576 F HN -0.140 nan 8.300 nan 0.000 0.472 577 N N 0.545 119.356 118.700 0.184 0.000 2.094 577 N HA -0.220 4.686 4.740 0.277 0.000 0.191 577 N C 1.781 177.238 175.510 -0.089 0.000 1.023 577 N CA 1.737 54.803 53.050 0.027 0.000 0.857 577 N CB -0.623 37.879 38.487 0.025 0.000 1.013 577 N HN 0.531 nan 8.380 nan 0.000 0.426 578 Q N 0.470 120.241 119.800 -0.048 0.000 2.020 578 Q HA -0.086 4.420 4.340 0.277 0.000 0.202 578 Q C 2.068 177.953 176.000 -0.191 0.000 0.982 578 Q CA 1.323 57.077 55.803 -0.082 0.000 0.838 578 Q CB -0.084 28.647 28.738 -0.012 0.000 0.899 578 Q HN 0.337 nan 8.270 nan 0.000 0.423 579 K N -0.080 120.152 120.400 -0.279 0.000 2.097 579 K HA -0.104 4.382 4.320 0.277 0.000 0.205 579 K C 0.798 176.933 176.600 -0.774 0.000 1.050 579 K CA 1.084 57.040 56.287 -0.553 0.000 0.938 579 K CB 0.139 32.222 32.500 -0.695 0.000 0.718 579 K HN 0.094 nan 8.250 nan 0.000 0.442 580 F N 0.848 120.508 119.950 -0.484 0.000 2.639 580 F HA 0.262 4.954 4.527 0.277 0.000 0.302 580 F C -0.354 175.249 175.800 -0.329 0.000 1.097 580 F CA -0.402 57.306 58.000 -0.487 0.000 1.294 580 F CB -0.190 38.292 39.000 -0.863 0.000 1.027 580 F HN 0.069 nan 8.300 nan 0.000 0.550 581 N N 0.272 118.869 118.700 -0.173 0.000 2.727 581 N HA -0.195 4.711 4.740 0.277 0.000 0.249 581 N C -0.116 175.237 175.510 -0.263 0.000 1.048 581 N CA 0.225 53.172 53.050 -0.172 0.000 0.714 581 N CB -0.828 37.599 38.487 -0.099 0.000 0.959 581 N HN 0.359 nan 8.380 nan 0.000 0.544 582 A N -0.366 122.283 122.820 -0.285 0.000 2.284 582 A HA 0.734 5.220 4.320 0.277 0.000 0.317 582 A C -0.124 177.136 177.584 -0.540 0.000 1.120 582 A CA -0.483 51.391 52.037 -0.271 0.000 0.900 582 A CB 0.719 19.758 19.000 0.064 0.000 1.319 582 A HN 0.475 nan 8.150 nan 0.000 0.494 583 H N -0.321 118.803 119.070 0.089 0.000 2.779 583 H HA 0.345 5.067 4.556 0.277 0.000 0.230 583 H C -0.931 174.433 175.328 0.059 0.000 1.365 583 H CA -0.359 55.730 56.048 0.068 0.000 1.086 583 H CB -0.044 29.751 29.762 0.055 0.000 2.038 583 H HN 0.367 nan 8.280 nan 0.000 0.558 584 L N 1.053 122.328 121.223 0.085 0.000 2.453 584 L HA 0.033 4.539 4.340 0.277 0.000 0.272 584 L C 0.646 177.577 176.870 0.102 0.000 1.182 584 L CA -0.071 54.763 54.840 -0.011 0.000 0.858 584 L CB 0.460 42.304 42.059 -0.359 0.000 1.120 584 L HN 0.419 nan 8.230 nan 0.000 0.474 585 D N 2.373 122.900 120.400 0.212 0.000 2.401 585 D HA 0.109 4.915 4.640 0.277 0.000 0.254 585 D C 0.467 176.942 176.300 0.291 0.000 1.192 585 D CA 0.089 54.232 54.000 0.239 0.000 0.885 585 D CB 1.620 42.571 40.800 0.252 0.000 1.147 585 D HN 0.590 nan 8.370 nan 0.000 0.478 586 A N 3.293 126.221 122.820 0.179 0.000 2.345 586 A HA 0.143 4.629 4.320 0.277 0.000 0.225 586 A C 0.995 178.748 177.584 0.281 0.000 1.243 586 A CA 0.103 52.216 52.037 0.126 0.000 0.875 586 A CB -0.444 18.562 19.000 0.011 0.000 0.929 586 A HN 0.610 nan 8.150 nan 0.000 0.502 587 T N -2.381 112.333 114.554 0.268 0.000 2.918 587 T HA 0.332 4.848 4.350 0.277 0.000 0.302 587 T C 0.999 175.835 174.700 0.227 0.000 1.045 587 T CA 0.573 62.790 62.100 0.195 0.000 1.114 587 T CB 1.176 70.103 68.868 0.097 0.000 0.965 587 T HN 0.363 nan 8.240 nan 0.000 0.540 588 T N -1.874 112.757 114.554 0.128 0.000 2.990 588 T HA 0.223 4.739 4.350 0.277 0.000 0.249 588 T C 0.009 174.678 174.700 -0.052 0.000 1.039 588 T CA -0.202 61.918 62.100 0.034 0.000 1.036 588 T CB 0.165 69.078 68.868 0.075 0.000 0.994 588 T HN 0.568 nan 8.240 nan 0.000 0.489 589 D N 1.215 121.605 120.400 -0.015 0.000 2.217 589 D HA 0.313 5.119 4.640 0.277 0.000 0.243 589 D C -1.232 175.044 176.300 -0.041 0.000 1.054 589 D CA -0.645 53.345 54.000 -0.016 0.000 0.838 589 D CB 1.349 42.152 40.800 0.006 0.000 1.162 589 D HN 0.247 nan 8.370 nan 0.000 0.472 590 Y N 2.611 122.805 120.300 -0.177 0.000 2.526 590 Y HA 0.240 4.955 4.550 0.276 0.000 0.330 590 Y C -0.489 175.102 175.900 -0.513 0.000 1.156 590 Y CA -0.094 57.813 58.100 -0.321 0.000 1.419 590 Y CB 0.538 38.778 38.460 -0.365 0.000 1.250 590 Y HN 0.243 nan 8.280 nan 0.000 0.540 591 M N 10.360 129.215 119.600 -1.242 0.000 2.183 591 M HA 0.389 5.035 4.480 0.277 0.000 0.277 591 M C -2.369 173.174 176.300 -1.262 0.000 0.995 591 M CA -2.561 52.071 55.300 -1.114 0.000 0.969 591 M CB 1.706 34.015 32.600 -0.484 0.000 1.659 591 M HN 0.384 nan 8.290 nan 0.000 0.462 592 P HA 0.029 nan 4.420 nan 0.000 0.227 592 P C -0.487 176.510 177.300 -0.506 0.000 1.161 592 P CA 1.023 63.625 63.100 -0.830 0.000 0.788 592 P CB 0.036 31.357 31.700 -0.632 0.000 0.822 593 H N -0.123 118.799 119.070 -0.246 0.000 2.496 593 H HA 0.447 5.168 4.556 0.276 0.000 0.342 593 H C 0.411 175.654 175.328 -0.142 0.000 1.170 593 H CA -0.660 55.304 56.048 -0.140 0.000 1.274 593 H CB 1.140 30.846 29.762 -0.093 0.000 1.538 593 H HN -0.153 nan 8.280 nan 0.000 0.542 594 K N 1.433 121.855 120.400 0.036 0.000 2.267 594 K HA 0.504 4.990 4.320 0.277 0.000 0.246 594 K C -0.787 175.818 176.600 0.009 0.000 0.954 594 K CA -0.944 55.341 56.287 -0.003 0.000 0.824 594 K CB 2.405 34.904 32.500 -0.001 0.000 1.167 594 K HN 0.342 nan 8.250 nan 0.000 0.431 606 P HA 0.256 nan 4.420 nan 0.000 0.271 606 P C -0.429 176.868 177.300 -0.005 0.000 1.216 606 P CA -0.245 62.853 63.100 -0.003 0.000 0.771 606 P CB 1.032 32.736 31.700 0.007 0.000 0.864 607 L N 2.266 123.481 121.223 -0.012 0.000 2.464 607 L HA 0.183 4.689 4.340 0.277 0.000 0.264 607 L C 1.018 177.898 176.870 0.017 0.000 1.199 607 L CA 0.088 54.930 54.840 0.003 0.000 0.818 607 L CB 0.055 42.117 42.059 0.005 0.000 1.102 607 L HN 0.436 nan 8.230 nan 0.000 0.473 608 Q N 0.560 120.384 119.800 0.040 0.000 2.421 608 Q HA 0.549 5.055 4.340 0.277 0.000 0.280 608 Q C -1.577 174.473 176.000 0.083 0.000 1.085 608 Q CA -0.771 55.068 55.803 0.060 0.000 0.807 608 Q CB 3.168 31.933 28.738 0.046 0.000 1.405 608 Q HN 0.276 nan 8.270 nan 0.000 0.419 609 V N 2.246 122.226 119.914 0.111 0.000 2.448 609 V HA 0.454 4.740 4.120 0.277 0.000 0.295 609 V C -0.808 175.296 176.094 0.016 0.000 1.025 609 V CA -0.658 61.701 62.300 0.098 0.000 0.859 609 V CB 1.511 33.455 31.823 0.201 0.000 0.988 609 V HN 0.535 nan 8.190 nan 0.000 0.431 610 K N 3.974 124.369 120.400 -0.008 0.000 2.579 610 K HA 0.759 5.245 4.320 0.277 0.000 0.250 610 K C 0.407 176.976 176.600 -0.052 0.000 0.952 610 K CA 0.260 56.525 56.287 -0.037 0.000 0.857 610 K CB 1.690 34.175 32.500 -0.024 0.000 1.123 610 K HN 0.921 nan 8.250 nan 0.000 0.433 611 A N 3.480 126.259 122.820 -0.069 0.000 5.391 611 A HA -0.336 4.150 4.320 0.277 0.000 0.315 611 A C 0.618 178.165 177.584 -0.062 0.000 1.874 611 A CA 1.679 53.676 52.037 -0.068 0.000 0.714 611 A CB -1.416 17.542 19.000 -0.070 0.000 1.335 611 A HN 0.886 nan 8.150 nan 0.000 0.382 612 N N 1.350 120.011 118.700 -0.066 0.000 2.327 612 N HA 0.196 5.102 4.740 0.277 0.000 0.231 612 N C 0.058 175.515 175.510 -0.090 0.000 1.130 612 N CA 0.334 53.335 53.050 -0.082 0.000 0.845 612 N CB -0.079 38.364 38.487 -0.074 0.000 1.073 612 N HN 0.675 nan 8.380 nan 0.000 0.496 613 R N -0.217 120.241 120.500 -0.070 0.000 2.589 613 R HA 0.583 5.089 4.340 0.277 0.000 0.293 613 R C -0.945 175.327 176.300 -0.047 0.000 0.963 613 R CA -0.852 55.210 56.100 -0.064 0.000 0.905 613 R CB 2.383 32.653 30.300 -0.049 0.000 1.144 613 R HN -0.113 nan 8.270 nan 0.000 0.459 614 V N 4.966 124.846 119.914 -0.057 0.000 2.376 614 V HA 0.369 4.655 4.120 0.277 0.000 0.287 614 V C -0.637 175.464 176.094 0.011 0.000 1.015 614 V CA -0.827 61.456 62.300 -0.029 0.000 0.834 614 V CB 1.053 32.796 31.823 -0.133 0.000 1.001 614 V HN 0.538 nan 8.190 nan 0.000 0.428 615 L N 3.523 124.767 121.223 0.036 0.000 2.354 615 L HA 0.800 5.306 4.340 0.277 0.000 0.264 615 L C -0.548 176.356 176.870 0.056 0.000 1.008 615 L CA -0.725 54.150 54.840 0.058 0.000 0.819 615 L CB 1.727 43.806 42.059 0.033 0.000 1.339 615 L HN 0.354 nan 8.230 nan 0.000 0.420 616 I N 1.197 121.809 120.570 0.070 0.000 2.395 616 I HA 0.225 4.561 4.170 0.277 0.000 0.289 616 I C 0.408 176.538 176.117 0.021 0.000 1.023 616 I CA -0.276 61.032 61.300 0.013 0.000 1.350 616 I CB 1.436 39.398 38.000 -0.065 0.000 1.409 616 I HN 0.714 nan 8.210 nan 0.000 0.507 617 S N 7.429 123.137 115.700 0.013 0.000 2.596 617 S HA 0.050 4.686 4.470 0.277 0.000 0.298 617 S C -1.807 172.804 174.600 0.018 0.000 1.255 617 S CA -0.870 57.341 58.200 0.018 0.000 1.083 617 S CB -0.326 62.885 63.200 0.019 0.000 0.837 617 S HN 0.412 nan 8.310 nan 0.000 0.499 632 E N 0.166 120.386 120.200 0.033 0.000 2.275 632 E HA 0.667 5.183 4.350 0.277 0.000 0.270 632 E C -1.902 174.740 176.600 0.069 0.000 0.882 632 E CA -0.485 55.969 56.400 0.090 0.000 0.758 632 E CB 2.181 31.953 29.700 0.120 0.000 1.195 632 E HN 0.512 nan 8.360 nan 0.000 0.419 633 I N 3.211 123.837 120.570 0.094 0.000 2.412 633 I HA 0.301 4.637 4.170 0.277 0.000 0.296 633 I C -0.214 175.930 176.117 0.046 0.000 0.987 633 I CA -0.497 60.837 61.300 0.056 0.000 1.180 633 I CB 1.761 39.794 38.000 0.055 0.000 1.340 633 I HN 0.510 nan 8.210 nan 0.000 0.455 634 E N 7.412 127.599 120.200 -0.021 0.000 2.255 634 E HA 0.401 4.917 4.350 0.277 0.000 0.256 634 E C -1.376 175.138 176.600 -0.144 0.000 0.887 634 E CA -0.603 55.685 56.400 -0.185 0.000 0.782 634 E CB 1.234 30.831 29.700 -0.172 0.000 1.214 634 E HN 0.527 nan 8.360 nan 0.000 0.417 635 L N 3.373 124.485 121.223 -0.186 0.000 2.452 635 L HA 0.104 4.610 4.340 0.277 0.000 0.267 635 L C 1.462 178.402 176.870 0.116 0.000 1.188 635 L CA -0.442 54.391 54.840 -0.013 0.000 0.821 635 L CB 0.462 42.490 42.059 -0.052 0.000 1.102 635 L HN 0.685 nan 8.230 nan 0.000 0.470 636 D N 0.020 120.661 120.400 0.402 0.000 2.378 636 D HA 0.040 4.846 4.640 0.277 0.000 0.222 636 D C 0.310 176.669 176.300 0.098 0.000 0.980 636 D CA 0.774 54.888 54.000 0.190 0.000 0.907 636 D CB 0.236 41.136 40.800 0.166 0.000 0.899 636 D HN 0.520 nan 8.370 nan 0.000 0.527 637 A N -0.643 122.224 122.820 0.078 0.000 2.557 637 A HA 0.577 5.063 4.320 0.277 0.000 0.292 637 A C -1.258 176.158 177.584 -0.280 0.000 1.139 637 A CA -0.941 50.987 52.037 -0.183 0.000 0.665 637 A CB 0.548 19.319 19.000 -0.382 0.000 1.285 637 A HN 0.076 nan 8.150 nan 0.000 0.433 638 I N 1.230 121.604 120.570 -0.326 0.000 2.352 638 I HA 0.374 4.710 4.170 0.277 0.000 0.290 638 I C -1.053 174.817 176.117 -0.411 0.000 1.036 638 I CA 0.130 61.295 61.300 -0.224 0.000 1.336 638 I CB 0.223 38.163 38.000 -0.101 0.000 1.407 638 I HN 0.544 nan 8.210 nan 0.000 0.497 639 Y N 6.421 126.720 120.300 -0.003 0.000 2.562 639 Y HA 0.448 5.164 4.550 0.277 0.000 0.343 639 Y C -2.310 173.591 175.900 0.003 0.000 1.025 639 Y CA -2.988 55.113 58.100 0.002 0.000 1.082 639 Y CB 1.104 39.560 38.460 -0.007 0.000 1.264 639 Y HN 0.385 nan 8.280 nan 0.000 0.478 640 P HA 0.122 nan 4.420 nan 0.000 0.271 640 P C -0.077 177.279 177.300 0.092 0.000 1.226 640 P CA -0.092 63.069 63.100 0.101 0.000 0.765 640 P CB 0.507 32.253 31.700 0.076 0.000 0.835 641 G N 2.455 111.294 108.800 0.065 0.000 2.415 641 G HA2 0.127 4.253 3.960 0.277 0.000 0.269 641 G HA3 0.127 4.253 3.960 0.277 0.000 0.269 641 G C 0.491 175.401 174.900 0.016 0.000 1.209 641 G CA -0.094 45.028 45.100 0.036 0.000 0.835 641 G HN 0.373 nan 8.290 nan 0.000 0.534 642 E N 0.290 120.488 120.200 -0.004 0.000 2.134 642 E HA 0.156 4.672 4.350 0.277 0.000 0.194 642 E C 0.784 177.372 176.600 -0.021 0.000 0.937 642 E CA 0.812 57.205 56.400 -0.012 0.000 0.874 642 E CB 0.362 30.049 29.700 -0.022 0.000 0.853 642 E HN 0.823 nan 8.360 nan 0.000 0.471 643 N N -1.874 116.805 118.700 -0.035 0.000 3.348 643 N HA 0.307 5.213 4.740 0.277 0.000 0.233 643 N C -1.656 173.809 175.510 -0.076 0.000 1.440 643 N CA -0.677 52.344 53.050 -0.048 0.000 0.887 643 N CB 0.933 39.390 38.487 -0.050 0.000 1.410 643 N HN -0.093 nan 8.380 nan 0.000 0.502 644 I N -0.161 120.347 120.570 -0.103 0.000 2.569 644 I HA 0.372 4.709 4.170 0.277 0.000 0.296 644 I C -0.954 175.035 176.117 -0.214 0.000 1.028 644 I CA -0.492 60.702 61.300 -0.176 0.000 1.082 644 I CB 2.104 39.982 38.000 -0.202 0.000 1.264 644 I HN 0.479 nan 8.210 nan 0.000 0.429 645 Q N 6.348 125.982 119.800 -0.278 0.000 2.303 645 Q HA 0.619 5.125 4.340 0.277 0.000 0.267 645 Q C -1.347 174.407 176.000 -0.410 0.000 1.011 645 Q CA -0.401 55.237 55.803 -0.276 0.000 0.740 645 Q CB 2.780 31.409 28.738 -0.182 0.000 1.250 645 Q HN 0.493 nan 8.270 nan 0.000 0.458 646 I N 1.606 121.885 120.570 -0.485 0.000 2.530 646 I HA 0.440 4.776 4.170 0.277 0.000 0.297 646 I C -0.601 175.178 176.117 -0.563 0.000 1.011 646 I CA -0.767 60.131 61.300 -0.670 0.000 1.107 646 I CB 2.006 39.424 38.000 -0.970 0.000 1.285 646 I HN 0.516 nan 8.210 nan 0.000 0.436 647 N N 4.194 122.541 118.700 -0.588 0.000 2.480 647 N HA 0.542 5.448 4.740 0.277 0.000 0.289 647 N C -1.274 173.982 175.510 -0.424 0.000 1.073 647 N CA -0.395 52.409 53.050 -0.409 0.000 0.885 647 N CB 1.225 39.592 38.487 -0.200 0.000 1.421 647 N HN 0.254 nan 8.380 nan 0.000 0.503 680 L N 2.010 123.165 121.223 -0.114 0.000 2.371 680 L HA 0.848 5.354 4.340 0.277 0.000 0.272 680 L C 0.852 177.644 176.870 -0.130 0.000 1.124 680 L CA 0.143 54.923 54.840 -0.099 0.000 0.816 680 L CB 1.930 43.926 42.059 -0.106 0.000 1.129 680 L HN 0.980 nan 8.230 nan 0.000 0.448 681 S N 1.228 116.876 115.700 -0.086 0.000 2.537 681 S HA 0.927 5.563 4.470 0.277 0.000 0.271 681 S C -1.142 173.426 174.600 -0.054 0.000 1.148 681 S CA -0.542 57.604 58.200 -0.089 0.000 0.868 681 S CB 1.783 64.936 63.200 -0.078 0.000 1.115 681 S HN 0.896 nan 8.310 nan 0.000 0.461 682 A N 1.375 124.162 122.820 -0.056 0.000 2.442 682 A HA 0.817 5.303 4.320 0.277 0.000 0.284 682 A C 0.229 177.796 177.584 -0.029 0.000 1.058 682 A CA -0.289 51.731 52.037 -0.029 0.000 0.738 682 A CB 0.801 19.794 19.000 -0.011 0.000 1.242 682 A HN 1.718 nan 8.150 nan 0.000 0.421 683 G N 1.077 109.865 108.800 -0.020 0.000 2.343 683 G HA2 0.432 4.558 3.960 0.277 0.000 0.254 683 G HA3 0.432 4.558 3.960 0.277 0.000 0.254 683 G C 0.528 175.424 174.900 -0.006 0.000 1.277 683 G CA -0.348 44.742 45.100 -0.016 0.000 0.909 683 G HN 0.760 nan 8.290 nan 0.000 0.502 684 L N 1.257 122.478 121.223 -0.005 0.000 2.558 684 L HA 0.072 4.578 4.340 0.277 0.000 0.225 684 L C 1.368 178.245 176.870 0.012 0.000 1.128 684 L CA -0.013 54.831 54.840 0.007 0.000 0.868 684 L CB -0.168 41.897 42.059 0.009 0.000 1.006 684 L HN 0.569 nan 8.230 nan 0.000 0.454 685 Q N 0.723 120.528 119.800 0.008 0.000 2.468 685 Q HA -0.233 4.273 4.340 0.277 0.000 0.289 685 Q C 0.179 176.188 176.000 0.015 0.000 1.299 685 Q CA 0.433 56.242 55.803 0.010 0.000 0.838 685 Q CB -1.129 27.615 28.738 0.010 0.000 1.195 685 Q HN 0.261 nan 8.270 nan 0.000 0.456 686 K N -4.519 115.892 120.400 0.018 0.000 3.349 686 K HA -0.238 4.248 4.320 0.277 0.000 0.310 686 K C 0.118 176.737 176.600 0.032 0.000 1.267 686 K CA 1.172 57.474 56.287 0.026 0.000 0.920 686 K CB -2.266 30.248 32.500 0.023 0.000 1.240 686 K HN 0.672 nan 8.250 nan 0.000 0.453 687 A N 1.747 124.586 122.820 0.031 0.000 2.540 687 A HA 0.304 4.790 4.320 0.277 0.000 0.239 687 A C -1.974 175.638 177.584 0.047 0.000 1.061 687 A CA -0.589 51.470 52.037 0.036 0.000 0.758 687 A CB -0.101 18.921 19.000 0.035 0.000 0.991 687 A HN -0.063 nan 8.150 nan 0.000 0.502 688 P HA 0.221 nan 4.420 nan 0.000 0.267 688 P C -0.626 176.716 177.300 0.071 0.000 1.209 688 P CA 0.277 63.408 63.100 0.052 0.000 0.763 688 P CB 0.785 32.509 31.700 0.039 0.000 0.816 689 V N 4.401 124.366 119.914 0.085 0.000 2.709 689 V HA 0.400 4.686 4.120 0.277 0.000 0.308 689 V C 0.523 176.672 176.094 0.091 0.000 1.062 689 V CA -0.323 62.038 62.300 0.101 0.000 0.901 689 V CB 1.974 33.852 31.823 0.090 0.000 1.003 689 V HN 0.537 nan 8.190 nan 0.000 0.425 690 K N 4.226 124.674 120.400 0.080 0.000 2.485 690 K HA 0.395 4.881 4.320 0.277 0.000 0.200 690 K C -0.479 175.968 176.600 -0.256 0.000 1.352 690 K CA 0.015 56.241 56.287 -0.103 0.000 0.953 690 K CB 0.492 32.877 32.500 -0.192 0.000 1.387 690 K HN 0.516 nan 8.250 nan 0.000 0.512 691 F N 1.561 121.546 119.950 0.058 0.000 2.458 691 F HA 0.460 5.154 4.527 0.277 0.000 0.336 691 F C -0.586 175.257 175.800 0.073 0.000 1.114 691 F CA -1.093 56.944 58.000 0.060 0.000 0.987 691 F CB 2.109 41.140 39.000 0.052 0.000 1.130 691 F HN -0.355 nan 8.300 nan 0.000 0.458 692 V N 3.898 123.958 119.914 0.244 0.000 2.483 692 V HA 0.534 4.820 4.120 0.277 0.000 0.297 692 V C -0.604 175.647 176.094 0.262 0.000 1.027 692 V CA -0.789 61.650 62.300 0.232 0.000 0.855 692 V CB 1.886 33.837 31.823 0.213 0.000 0.995 692 V HN 0.759 nan 8.190 nan 0.000 0.424 693 R N 3.501 124.158 120.500 0.262 0.000 2.621 693 R HA 0.694 5.200 4.340 0.277 0.000 0.292 693 R C -1.825 174.680 176.300 0.342 0.000 0.969 693 R CA -0.414 55.836 56.100 0.250 0.000 0.887 693 R CB 1.950 32.343 30.300 0.155 0.000 1.180 693 R HN 0.568 nan 8.270 nan 0.000 0.450 709 F N 1.237 121.074 119.950 -0.187 0.000 3.358 709 F HA 0.523 5.215 4.527 0.276 0.000 0.396 709 F C -1.913 173.809 175.800 -0.130 0.000 1.225 709 F CA -0.389 57.491 58.000 -0.201 0.000 1.280 709 F CB 1.471 40.364 39.000 -0.178 0.000 2.012 709 F HN 0.489 nan 8.300 nan 0.000 0.685 710 V N 5.577 125.415 119.914 -0.128 0.000 2.487 710 V HA 0.475 4.761 4.120 0.277 0.000 0.298 710 V C -0.778 175.245 176.094 -0.118 0.000 1.028 710 V CA -0.807 61.451 62.300 -0.069 0.000 0.860 710 V CB 1.775 33.553 31.823 -0.075 0.000 0.991 710 V HN 0.493 nan 8.190 nan 0.000 0.427 711 L N 4.910 126.097 121.223 -0.060 0.000 2.287 711 L HA 0.723 5.229 4.340 0.277 0.000 0.287 711 L C 0.146 176.967 176.870 -0.081 0.000 1.022 711 L CA 0.640 55.435 54.840 -0.075 0.000 0.814 711 L CB 1.727 43.760 42.059 -0.043 0.000 1.217 711 L HN 0.705 nan 8.230 nan 0.000 0.420 712 T N 6.860 121.366 114.554 -0.080 0.000 2.795 712 T HA 0.655 5.171 4.350 0.277 0.000 0.282 712 T C -0.003 174.654 174.700 -0.072 0.000 0.980 712 T CA -0.216 61.839 62.100 -0.076 0.000 1.012 712 T CB 0.746 69.576 68.868 -0.064 0.000 0.936 712 T HN 0.627 nan 8.240 nan 0.000 0.457 713 I N -0.724 119.791 120.570 -0.091 0.000 3.108 713 I HA 0.645 4.981 4.170 0.277 0.000 0.312 713 I C -0.218 175.870 176.117 -0.049 0.000 1.095 713 I CA -1.335 59.918 61.300 -0.078 0.000 1.000 713 I CB 2.035 39.927 38.000 -0.181 0.000 1.229 713 I HN 0.431 nan 8.210 nan 0.000 0.454 714 E N 3.361 123.567 120.200 0.010 0.000 2.129 714 E HA 0.333 4.849 4.350 0.277 0.000 0.283 714 E C -0.993 175.639 176.600 0.054 0.000 1.080 714 E CA -0.169 56.251 56.400 0.033 0.000 0.867 714 E CB 0.776 30.511 29.700 0.059 0.000 1.056 714 E HN 0.555 nan 8.360 nan 0.000 0.404 715 K N 0.000 120.410 120.400 0.016 0.000 2.780 715 K HA 0.000 4.486 4.320 0.277 0.000 0.191 715 K CA 0.000 56.300 56.287 0.022 0.000 0.838 715 K CB 0.000 32.458 32.500 -0.071 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543