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 2j47_1_A DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDXXX XYQLNGGEEA NPHAVKVLKE LLSGXXXXXX 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 FKXXXXYDKA DFETLQYTFE RMKESADILL MNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEMGEEVL KMVEGRNESY FLRKYNHVKA LQQQMFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.597 174.600 -0.005 0.000 1.055 4 S CA 0.000 58.210 58.200 0.016 0.000 1.107 4 S CB 0.000 63.229 63.200 0.048 0.000 0.593 5 L N 1.656 122.870 121.223 -0.015 0.000 2.422 5 L HA 0.678 4.945 4.340 -0.122 0.000 0.264 5 L C -1.310 175.512 176.870 -0.080 0.000 0.984 5 L CA -0.586 54.224 54.840 -0.051 0.000 0.819 5 L CB 2.036 44.060 42.059 -0.058 0.000 1.330 5 L HN 0.449 nan 8.230 nan 0.000 0.410 6 Q N 2.711 122.416 119.800 -0.158 0.000 2.374 6 Q HA 0.365 4.632 4.340 -0.122 0.000 0.250 6 Q C -2.614 173.133 176.000 -0.423 0.000 0.918 6 Q CA -1.584 54.077 55.803 -0.236 0.000 0.778 6 Q CB 2.761 31.389 28.738 -0.183 0.000 1.328 6 Q HN 0.234 nan 8.270 nan 0.000 0.445 7 P HA 0.173 nan 4.420 nan 0.000 0.272 7 P C -2.461 174.709 177.300 -0.217 0.000 1.223 7 P CA -1.136 61.771 63.100 -0.321 0.000 0.784 7 P CB 0.022 31.482 31.700 -0.399 0.000 0.923 8 P HA 0.183 nan 4.420 nan 0.000 0.271 8 P C -2.568 174.754 177.300 0.035 0.000 1.220 8 P CA -1.505 61.587 63.100 -0.013 0.000 0.768 8 P CB -0.541 31.171 31.700 0.019 0.000 0.848 9 P HA 0.052 nan 4.420 nan 0.000 0.269 9 P C 1.339 178.632 177.300 -0.012 0.000 1.215 9 P CA 0.032 63.167 63.100 0.058 0.000 0.780 9 P CB 0.366 32.081 31.700 0.025 0.000 0.898 10 Q N 0.501 120.226 119.800 -0.125 0.000 2.124 10 Q HA -0.163 4.104 4.340 -0.122 0.000 0.202 10 Q C 0.597 176.526 176.000 -0.118 0.000 0.977 10 Q CA 1.644 57.292 55.803 -0.258 0.000 0.850 10 Q CB 0.050 28.392 28.738 -0.661 0.000 0.901 10 Q HN 0.590 nan 8.270 nan 0.000 0.429 11 Q N -0.161 119.596 119.800 -0.070 0.000 2.271 11 Q HA 0.493 4.760 4.340 -0.122 0.000 0.268 11 Q C -2.060 173.943 176.000 0.005 0.000 1.021 11 Q CA -0.457 55.339 55.803 -0.012 0.000 0.802 11 Q CB 1.503 30.256 28.738 0.025 0.000 1.282 11 Q HN 0.092 nan 8.270 nan 0.000 0.431 12 L N 5.068 126.299 121.223 0.013 0.000 2.436 12 L HA 0.642 4.909 4.340 -0.122 0.000 0.268 12 L C -2.031 174.852 176.870 0.023 0.000 0.974 12 L CA -0.293 54.557 54.840 0.018 0.000 0.826 12 L CB 1.989 44.054 42.059 0.011 0.000 1.291 12 L HN 0.725 nan 8.230 nan 0.000 0.406 13 I N 5.712 126.300 120.570 0.029 0.000 2.410 13 I HA 0.498 4.595 4.170 -0.122 0.000 0.286 13 I C -0.925 175.206 176.117 0.022 0.000 1.009 13 I CA -0.836 60.481 61.300 0.029 0.000 1.111 13 I CB 2.011 40.036 38.000 0.042 0.000 1.262 13 I HN 0.288 nan 8.210 nan 0.000 0.443 14 V N 6.168 126.092 119.914 0.017 0.000 2.417 14 V HA 0.368 4.415 4.120 -0.122 0.000 0.291 14 V C -0.060 176.043 176.094 0.014 0.000 1.024 14 V CA -0.773 61.534 62.300 0.012 0.000 0.861 14 V CB 1.534 33.361 31.823 0.006 0.000 0.985 14 V HN 0.605 nan 8.190 nan 0.000 0.436 15 Q N 2.798 122.606 119.800 0.014 0.000 2.193 15 Q HA 0.424 4.691 4.340 -0.122 0.000 0.246 15 Q C -0.136 175.870 176.000 0.010 0.000 0.959 15 Q CA -0.619 55.192 55.803 0.014 0.000 0.904 15 Q CB 1.002 29.751 28.738 0.018 0.000 1.238 15 Q HN 0.569 nan 8.270 nan 0.000 0.469 16 N N 0.829 119.535 118.700 0.009 0.000 2.389 16 N HA 0.077 4.744 4.740 -0.122 0.000 0.237 16 N C -0.518 174.995 175.510 0.006 0.000 1.148 16 N CA 0.158 53.212 53.050 0.006 0.000 0.854 16 N CB 0.566 39.056 38.487 0.006 0.000 1.115 16 N HN 0.266 nan 8.380 nan 0.000 0.492 17 K N 0.419 120.823 120.400 0.007 0.000 2.156 17 K HA 0.316 4.563 4.320 -0.122 0.000 0.254 17 K C -0.005 176.597 176.600 0.004 0.000 0.950 17 K CA -0.472 55.820 56.287 0.007 0.000 0.849 17 K CB 1.471 33.979 32.500 0.012 0.000 1.100 17 K HN 0.035 nan 8.250 nan 0.000 0.434 18 T N 0.071 114.627 114.554 0.002 0.000 2.932 18 T HA 0.685 4.962 4.350 -0.122 0.000 0.289 18 T C -0.173 174.529 174.700 0.003 0.000 1.039 18 T CA -0.937 61.162 62.100 -0.002 0.000 1.024 18 T CB 0.899 69.762 68.868 -0.008 0.000 1.090 18 T HN 0.595 nan 8.240 nan 0.000 0.496 19 I N -0.954 119.617 120.570 0.002 0.000 2.730 19 I HA 0.754 4.851 4.170 -0.122 0.000 0.298 19 I C -1.239 174.883 176.117 0.008 0.000 1.089 19 I CA -0.921 60.386 61.300 0.011 0.000 1.041 19 I CB 2.145 40.159 38.000 0.023 0.000 1.235 19 I HN 0.531 nan 8.210 nan 0.000 0.423 26 Q N 3.826 123.744 119.800 0.198 0.000 2.271 26 Q HA 0.493 4.759 4.340 -0.122 0.000 0.258 26 Q C -1.319 174.824 176.000 0.238 0.000 0.936 26 Q CA -1.113 54.773 55.803 0.138 0.000 0.909 26 Q CB 2.671 31.454 28.738 0.075 0.000 1.253 26 Q HN 0.709 nan 8.270 nan 0.000 0.440 27 L N 3.955 125.304 121.223 0.210 0.000 2.264 27 L HA 0.361 4.628 4.340 -0.122 0.000 0.287 27 L C -1.010 175.911 176.870 0.084 0.000 1.039 27 L CA -0.307 54.631 54.840 0.164 0.000 0.829 27 L CB 0.690 42.871 42.059 0.204 0.000 1.211 27 L HN 0.655 nan 8.230 nan 0.000 0.427 28 N N 3.619 122.357 118.700 0.063 0.000 2.485 28 N HA 0.531 5.198 4.740 -0.122 0.000 0.243 28 N C 0.509 176.042 175.510 0.038 0.000 0.987 28 N CA 0.629 53.709 53.050 0.051 0.000 0.940 28 N CB 1.077 39.600 38.487 0.061 0.000 1.122 28 N HN 0.807 nan 8.380 nan 0.000 0.509 29 G N 1.688 110.508 108.800 0.032 0.000 2.205 29 G HA2 -0.172 3.715 3.960 -0.122 0.000 0.180 29 G HA3 -0.172 3.715 3.960 -0.122 0.000 0.180 29 G C 0.935 175.844 174.900 0.015 0.000 1.004 29 G CA 0.021 45.136 45.100 0.025 0.000 0.670 29 G HN 0.779 nan 8.290 nan 0.000 0.496 30 G N 0.302 109.112 108.800 0.018 0.000 2.470 30 G HA2 0.048 3.935 3.960 -0.122 0.000 0.220 30 G HA3 0.048 3.935 3.960 -0.122 0.000 0.220 30 G C 1.123 176.028 174.900 0.008 0.000 1.121 30 G CA 1.413 46.521 45.100 0.014 0.000 0.766 30 G HN 0.575 nan 8.290 nan 0.000 0.553 31 E N -0.235 119.970 120.200 0.009 0.000 2.474 31 E HA 0.084 4.360 4.350 -0.122 0.000 0.195 31 E C 1.536 178.135 176.600 -0.002 0.000 1.039 31 E CA 0.336 56.738 56.400 0.003 0.000 0.881 31 E CB 0.306 30.009 29.700 0.006 0.000 0.970 31 E HN 0.756 nan 8.360 nan 0.000 0.486 32 E N 0.134 120.334 120.200 0.001 0.000 2.508 32 E HA 0.268 4.545 4.350 -0.122 0.000 0.217 32 E C 0.558 177.155 176.600 -0.005 0.000 0.896 32 E CA -0.189 56.211 56.400 -0.001 0.000 1.118 32 E CB 0.572 30.276 29.700 0.007 0.000 1.133 32 E HN 0.026 nan 8.360 nan 0.000 0.526 33 A N 1.880 124.697 122.820 -0.005 0.000 2.332 33 A HA 0.206 4.453 4.320 -0.122 0.000 0.258 33 A C 0.173 177.740 177.584 -0.028 0.000 1.087 33 A CA -0.555 51.478 52.037 -0.007 0.000 0.802 33 A CB 0.182 19.180 19.000 -0.004 0.000 1.042 33 A HN 0.140 nan 8.150 nan 0.000 0.489 34 N N 1.055 119.737 118.700 -0.029 0.000 2.315 34 N HA -0.005 4.662 4.740 -0.122 0.000 0.270 34 N C -1.763 173.698 175.510 -0.081 0.000 1.329 34 N CA -1.163 51.844 53.050 -0.072 0.000 0.860 34 N CB 0.602 39.075 38.487 -0.023 0.000 1.095 34 N HN 0.189 nan 8.380 nan 0.000 0.487 35 P HA -0.105 nan 4.420 nan 0.000 0.218 35 P C 0.486 177.777 177.300 -0.016 0.000 1.149 35 P CA 1.456 64.491 63.100 -0.109 0.000 0.817 35 P CB 0.023 31.630 31.700 -0.155 0.000 0.785 36 H N -0.597 118.490 119.070 0.027 0.000 2.387 36 H HA -0.034 4.450 4.556 -0.121 0.000 0.299 36 H C 2.007 177.468 175.328 0.221 0.000 1.090 36 H CA 0.930 57.018 56.048 0.067 0.000 1.332 36 H CB -0.349 29.360 29.762 -0.087 0.000 1.386 36 H HN 0.110 nan 8.280 nan 0.000 0.516 37 A N 0.667 123.661 122.820 0.291 0.000 1.898 37 A HA -0.076 4.171 4.320 -0.122 0.000 0.214 37 A C 2.563 180.189 177.584 0.070 0.000 1.183 37 A CA 1.075 53.226 52.037 0.191 0.000 0.622 37 A CB -0.645 18.416 19.000 0.103 0.000 0.824 37 A HN 0.203 nan 8.150 nan 0.000 0.444 38 V N 0.559 120.501 119.914 0.046 0.000 2.332 38 V HA -0.293 3.754 4.120 -0.122 0.000 0.248 38 V C 2.528 178.643 176.094 0.034 0.000 1.055 38 V CA 2.403 64.713 62.300 0.017 0.000 1.038 38 V CB -0.679 31.149 31.823 0.009 0.000 0.651 38 V HN 0.656 nan 8.190 nan 0.000 0.450 39 K N -0.022 120.417 120.400 0.066 0.000 2.032 39 K HA -0.183 4.063 4.320 -0.122 0.000 0.209 39 K C 2.102 178.741 176.600 0.065 0.000 1.048 39 K CA 1.876 58.206 56.287 0.073 0.000 0.927 39 K CB -0.249 32.313 32.500 0.104 0.000 0.712 39 K HN 0.340 nan 8.250 nan 0.000 0.441 40 V N 1.768 121.729 119.914 0.078 0.000 2.287 40 V HA -0.276 3.770 4.120 -0.122 0.000 0.248 40 V C 2.363 178.469 176.094 0.021 0.000 1.053 40 V CA 1.766 64.091 62.300 0.041 0.000 1.027 40 V CB -0.521 31.301 31.823 -0.002 0.000 0.646 40 V HN 0.379 nan 8.190 nan 0.000 0.447 41 L N 0.242 121.466 121.223 0.002 0.000 2.012 41 L HA -0.217 4.050 4.340 -0.122 0.000 0.210 41 L C 2.421 179.290 176.870 -0.003 0.000 1.073 41 L CA 2.092 56.922 54.840 -0.017 0.000 0.748 41 L CB -0.688 41.315 42.059 -0.093 0.000 0.891 41 L HN 0.209 nan 8.230 nan 0.000 0.431 42 K N -0.580 119.826 120.400 0.011 0.000 2.147 42 K HA -0.183 4.064 4.320 -0.122 0.000 0.205 42 K C 1.994 178.617 176.600 0.038 0.000 1.049 42 K CA 1.714 58.022 56.287 0.034 0.000 0.936 42 K CB -0.147 32.382 32.500 0.047 0.000 0.722 42 K HN 0.472 nan 8.250 nan 0.000 0.446 43 E N 0.419 120.639 120.200 0.033 0.000 2.268 43 E HA -0.112 4.165 4.350 -0.122 0.000 0.195 43 E C 1.588 178.201 176.600 0.021 0.000 0.995 43 E CA 0.642 57.059 56.400 0.028 0.000 0.836 43 E CB 0.124 29.840 29.700 0.027 0.000 0.763 43 E HN 0.230 nan 8.360 nan 0.000 0.491 44 L N -0.134 121.104 121.223 0.024 0.000 2.446 44 L HA -0.009 4.257 4.340 -0.122 0.000 0.219 44 L C 1.133 178.016 176.870 0.022 0.000 1.116 44 L CA 0.078 54.929 54.840 0.019 0.000 0.844 44 L CB 0.421 42.509 42.059 0.048 0.000 0.970 44 L HN 0.095 nan 8.230 nan 0.000 0.457 45 L N -0.725 120.515 121.223 0.027 0.000 2.872 45 L HA 0.228 4.495 4.340 -0.122 0.000 0.245 45 L C 0.921 177.853 176.870 0.103 0.000 1.211 45 L CA 0.300 55.159 54.840 0.032 0.000 1.013 45 L CB -0.046 41.975 42.059 -0.063 0.000 1.326 45 L HN -0.099 nan 8.230 nan 0.000 0.525 46 S N 0.928 116.671 115.700 0.072 0.000 2.858 46 S HA 0.479 4.876 4.470 -0.122 0.000 0.328 46 S C 0.646 175.295 174.600 0.081 0.000 1.149 46 S CA 0.594 58.838 58.200 0.072 0.000 1.421 46 S CB -0.771 62.455 63.200 0.043 0.000 1.461 46 S HN 0.622 nan 8.310 nan 0.000 0.587 55 M N 1.048 120.705 119.600 0.095 0.000 2.250 55 M HA 0.625 5.032 4.480 -0.122 0.000 0.325 55 M C -0.255 176.114 176.300 0.115 0.000 1.084 55 M CA -0.203 55.154 55.300 0.095 0.000 1.161 55 M CB 0.653 33.306 32.600 0.089 0.000 1.481 55 M HN 0.394 nan 8.290 nan 0.000 0.449 56 L N 4.130 125.405 121.223 0.087 0.000 2.367 56 L HA 0.451 4.718 4.340 -0.122 0.000 0.275 56 L C -0.914 175.987 176.870 0.053 0.000 1.129 56 L CA 0.320 55.210 54.840 0.084 0.000 0.839 56 L CB 0.350 42.457 42.059 0.080 0.000 1.133 56 L HN 0.706 nan 8.230 nan 0.000 0.453 57 I N 4.181 124.777 120.570 0.043 0.000 2.354 57 I HA 0.271 4.368 4.170 -0.122 0.000 0.286 57 I C -0.234 175.865 176.117 -0.031 0.000 1.007 57 I CA -0.239 61.029 61.300 -0.053 0.000 1.167 57 I CB 1.158 39.064 38.000 -0.157 0.000 1.320 57 I HN 0.516 nan 8.210 nan 0.000 0.458 58 S N 7.372 123.049 115.700 -0.038 0.000 2.429 58 S HA 0.582 4.979 4.470 -0.122 0.000 0.302 58 S C -0.374 174.200 174.600 -0.043 0.000 1.115 58 S CA -0.454 57.750 58.200 0.006 0.000 1.095 58 S CB 1.303 64.562 63.200 0.099 0.000 0.987 58 S HN 0.494 nan 8.310 nan 0.000 0.474 59 I N 2.643 123.199 120.570 -0.025 0.000 2.608 59 I HA 0.829 4.926 4.170 -0.122 0.000 0.295 59 I C -0.056 176.066 176.117 0.008 0.000 1.049 59 I CA 0.009 61.286 61.300 -0.039 0.000 1.063 59 I CB 1.608 39.563 38.000 -0.075 0.000 1.248 59 I HN 0.786 nan 8.210 nan 0.000 0.424 60 G N 5.032 113.846 108.800 0.022 0.000 2.338 60 G HA2 0.298 4.185 3.960 -0.122 0.000 0.295 60 G HA3 0.298 4.185 3.960 -0.122 0.000 0.295 60 G C -2.046 172.890 174.900 0.061 0.000 1.461 60 G CA -0.775 44.350 45.100 0.041 0.000 0.817 60 G HN 0.513 nan 8.290 nan 0.000 0.556 61 E N 0.553 120.787 120.200 0.056 0.000 2.283 61 E HA 0.445 4.722 4.350 -0.122 0.000 0.271 61 E C 0.332 176.975 176.600 0.072 0.000 1.031 61 E CA -0.770 55.670 56.400 0.068 0.000 0.868 61 E CB 1.368 31.098 29.700 0.049 0.000 1.094 61 E HN 0.551 nan 8.360 nan 0.000 0.401 62 K N 1.062 121.510 120.400 0.081 0.000 2.477 62 K HA -0.034 4.213 4.320 -0.122 0.000 0.275 62 K C 0.669 177.296 176.600 0.045 0.000 1.054 62 K CA 1.360 57.687 56.287 0.067 0.000 1.135 62 K CB -0.353 32.183 32.500 0.060 0.000 0.854 62 K HN 0.741 nan 8.250 nan 0.000 0.484 63 G N 3.545 112.368 108.800 0.038 0.000 2.339 63 G HA2 -0.199 3.688 3.960 -0.122 0.000 0.209 63 G HA3 -0.199 3.688 3.960 -0.122 0.000 0.209 63 G C -0.426 174.490 174.900 0.026 0.000 1.015 63 G CA -0.049 45.066 45.100 0.025 0.000 0.635 63 G HN 0.691 nan 8.290 nan 0.000 0.499 64 D N 1.105 121.526 120.400 0.035 0.000 2.414 64 D HA 0.389 4.956 4.640 -0.122 0.000 0.242 64 D C 1.499 177.820 176.300 0.036 0.000 1.129 64 D CA 0.058 54.078 54.000 0.033 0.000 0.885 64 D CB 0.974 41.797 40.800 0.038 0.000 1.198 64 D HN 0.384 nan 8.370 nan 0.000 0.437 65 K N 0.552 120.968 120.400 0.027 0.000 2.103 65 K HA -0.153 4.094 4.320 -0.122 0.000 0.207 65 K C 1.992 178.614 176.600 0.037 0.000 1.048 65 K CA 1.369 57.671 56.287 0.024 0.000 0.930 65 K CB -0.071 32.440 32.500 0.018 0.000 0.716 65 K HN 0.429 nan 8.250 nan 0.000 0.444 66 S N 0.684 116.414 115.700 0.050 0.000 2.420 66 S HA -0.124 4.273 4.470 -0.122 0.000 0.237 66 S C 1.774 176.450 174.600 0.126 0.000 1.023 66 S CA 1.364 59.608 58.200 0.073 0.000 0.991 66 S CB -0.484 62.754 63.200 0.064 0.000 0.792 66 S HN 0.224 nan 8.310 nan 0.000 0.488 67 V N -2.649 117.346 119.914 0.134 0.000 3.159 67 V HA 0.459 4.506 4.120 -0.122 0.000 0.333 67 V C 1.688 177.873 176.094 0.151 0.000 1.424 67 V CA -0.667 61.778 62.300 0.241 0.000 1.125 67 V CB -0.147 31.820 31.823 0.239 0.000 1.075 67 V HN 0.128 nan 8.190 nan 0.000 0.482 68 R N 1.679 122.206 120.500 0.045 0.000 2.103 68 R HA -0.186 4.081 4.340 -0.122 0.000 0.242 68 R C 2.033 178.279 176.300 -0.091 0.000 1.142 68 R CA 2.083 58.175 56.100 -0.013 0.000 0.960 68 R CB -0.458 29.827 30.300 -0.026 0.000 0.858 68 R HN 0.636 nan 8.270 nan 0.000 0.439 69 K N 0.069 120.330 120.400 -0.232 0.000 2.280 69 K HA -0.150 4.097 4.320 -0.122 0.000 0.202 69 K C 0.597 176.899 176.600 -0.497 0.000 1.047 69 K CA 1.246 57.266 56.287 -0.445 0.000 0.942 69 K CB 0.100 32.188 32.500 -0.686 0.000 0.739 69 K HN 0.201 nan 8.250 nan 0.000 0.457 70 Y N -0.275 120.021 120.300 -0.006 0.000 2.555 70 Y HA 0.119 4.596 4.550 -0.122 0.000 0.259 70 Y C 1.861 177.708 175.900 -0.087 0.000 1.179 70 Y CA -0.052 58.015 58.100 -0.056 0.000 1.230 70 Y CB 0.396 38.876 38.460 0.034 0.000 1.146 70 Y HN 0.104 nan 8.280 nan 0.000 0.526 71 S N -0.166 115.556 115.700 0.037 0.000 2.447 71 S HA -0.154 4.243 4.470 -0.122 0.000 0.233 71 S C 1.794 176.382 174.600 -0.019 0.000 1.006 71 S CA 0.735 58.948 58.200 0.021 0.000 0.957 71 S CB -0.175 63.031 63.200 0.010 0.000 0.773 71 S HN 0.460 nan 8.310 nan 0.000 0.507 72 R N 0.728 121.199 120.500 -0.048 0.000 2.236 72 R HA 0.147 4.414 4.340 -0.122 0.000 0.208 72 R C 2.015 178.255 176.300 -0.099 0.000 1.036 72 R CA 0.771 56.834 56.100 -0.063 0.000 1.001 72 R CB -0.084 30.180 30.300 -0.059 0.000 0.896 72 R HN 0.521 nan 8.270 nan 0.000 0.464 73 Q N 0.296 119.990 119.800 -0.175 0.000 2.354 73 Q HA 0.106 4.373 4.340 -0.122 0.000 0.203 73 Q C 0.708 176.580 176.000 -0.213 0.000 0.933 73 Q CA 0.482 56.061 55.803 -0.374 0.000 0.901 73 Q CB 0.380 28.504 28.738 -1.022 0.000 1.007 73 Q HN 0.334 nan 8.270 nan 0.000 0.495 74 I N 4.085 124.620 120.570 -0.058 0.000 2.517 74 I HA 0.075 4.172 4.170 -0.122 0.000 0.285 74 I C -2.086 174.068 176.117 0.061 0.000 1.106 74 I CA -1.826 59.523 61.300 0.080 0.000 1.402 74 I CB 0.337 38.405 38.000 0.113 0.000 1.399 74 I HN -0.199 nan 8.210 nan 0.000 0.535 75 P HA -0.037 nan 4.420 nan 0.000 0.265 75 P C -0.465 176.845 177.300 0.015 0.000 1.193 75 P CA -0.066 63.092 63.100 0.097 0.000 0.765 75 P CB 0.432 32.268 31.700 0.227 0.000 0.823 76 D N 2.847 123.161 120.400 -0.144 0.000 2.845 76 D HA 0.031 4.598 4.640 -0.122 0.000 0.235 76 D C -0.550 175.465 176.300 -0.474 0.000 1.158 76 D CA 0.117 53.974 54.000 -0.239 0.000 0.990 76 D CB -0.704 39.949 40.800 -0.244 0.000 1.094 76 D HN 0.294 nan 8.370 nan 0.000 0.486 77 H N 0.790 119.768 119.070 -0.154 0.000 2.806 77 H HA 0.263 4.746 4.556 -0.122 0.000 0.367 77 H C 0.002 175.301 175.328 -0.049 0.000 1.136 77 H CA -0.840 55.100 56.048 -0.181 0.000 1.178 77 H CB 1.447 30.978 29.762 -0.385 0.000 1.718 77 H HN 0.064 nan 8.280 nan 0.000 0.540 78 K N 1.520 121.965 120.400 0.076 0.000 2.448 78 K HA -0.042 4.205 4.320 -0.122 0.000 0.278 78 K C 0.325 177.016 176.600 0.152 0.000 1.009 78 K CA 0.549 56.889 56.287 0.087 0.000 0.995 78 K CB 0.530 33.057 32.500 0.045 0.000 0.917 78 K HN 0.708 nan 8.250 nan 0.000 0.481 79 E N -1.081 119.247 120.200 0.213 0.000 3.496 79 E HA -0.198 4.079 4.350 -0.122 0.000 0.300 79 E C 0.393 177.295 176.600 0.503 0.000 0.877 79 E CA 0.519 57.144 56.400 0.374 0.000 1.050 79 E CB -1.526 28.468 29.700 0.490 0.000 1.532 79 E HN 0.825 nan 8.360 nan 0.000 0.447 80 G N 0.131 109.149 108.800 0.364 0.000 2.537 80 G HA2 0.498 4.385 3.960 -0.122 0.000 0.273 80 G HA3 0.498 4.385 3.960 -0.122 0.000 0.273 80 G C -0.389 174.771 174.900 0.433 0.000 1.189 80 G CA 0.149 45.472 45.100 0.372 0.000 0.881 80 G HN 0.259 nan 8.290 nan 0.000 0.535 81 Y N -1.873 118.621 120.300 0.323 0.000 2.656 81 Y HA 0.632 5.109 4.550 -0.122 0.000 0.334 81 Y C -1.920 174.152 175.900 0.285 0.000 1.179 81 Y CA -2.082 56.175 58.100 0.262 0.000 1.050 81 Y CB 1.297 39.892 38.460 0.224 0.000 1.308 81 Y HN 0.655 nan 8.280 nan 0.000 0.456 82 Y N 3.338 123.782 120.300 0.240 0.000 2.393 82 Y HA 0.770 5.247 4.550 -0.122 0.000 0.341 82 Y C -1.758 174.267 175.900 0.208 0.000 0.988 82 Y CA -1.931 56.253 58.100 0.140 0.000 1.078 82 Y CB 1.801 40.309 38.460 0.080 0.000 1.203 82 Y HN 0.978 nan 8.280 nan 0.000 0.453 83 L N 5.382 126.382 121.223 -0.371 0.000 2.436 83 L HA 0.745 5.012 4.340 -0.122 0.000 0.268 83 L C -1.467 175.022 176.870 -0.635 0.000 0.974 83 L CA -0.307 54.323 54.840 -0.350 0.000 0.826 83 L CB 1.889 43.962 42.059 0.024 0.000 1.291 83 L HN 0.673 nan 8.230 nan 0.000 0.406 84 S N 3.521 118.894 115.700 -0.544 0.000 2.575 84 S HA 0.768 5.165 4.470 -0.122 0.000 0.278 84 S C -1.528 172.963 174.600 -0.182 0.000 1.139 84 S CA -0.447 57.520 58.200 -0.389 0.000 0.954 84 S CB 1.792 64.737 63.200 -0.425 0.000 1.054 84 S HN 0.434 nan 8.310 nan 0.000 0.483 85 V N 5.739 125.608 119.914 -0.075 0.000 2.487 85 V HA 0.659 4.705 4.120 -0.122 0.000 0.298 85 V C -0.556 175.541 176.094 0.005 0.000 1.028 85 V CA -0.726 61.570 62.300 -0.007 0.000 0.860 85 V CB 1.546 33.402 31.823 0.055 0.000 0.991 85 V HN 0.982 nan 8.190 nan 0.000 0.427 86 N N 1.927 120.636 118.700 0.015 0.000 2.972 86 N HA 0.254 4.921 4.740 -0.122 0.000 0.262 86 N C 0.659 176.189 175.510 0.034 0.000 1.478 86 N CA -0.664 52.403 53.050 0.028 0.000 0.841 86 N CB 1.058 39.568 38.487 0.037 0.000 1.512 86 N HN 0.462 nan 8.380 nan 0.000 0.548 87 E N -0.047 120.174 120.200 0.035 0.000 2.114 87 E HA -0.305 3.972 4.350 -0.122 0.000 0.199 87 E C 1.171 177.796 176.600 0.042 0.000 1.008 87 E CA 1.622 58.044 56.400 0.036 0.000 0.810 87 E CB 0.076 29.796 29.700 0.033 0.000 0.739 87 E HN 0.598 nan 8.360 nan 0.000 0.456 88 K N 0.340 120.767 120.400 0.046 0.000 2.098 88 K HA -0.085 4.162 4.320 -0.122 0.000 0.203 88 K C 0.338 176.972 176.600 0.056 0.000 1.051 88 K CA 1.315 57.634 56.287 0.053 0.000 0.957 88 K CB 0.255 32.790 32.500 0.059 0.000 0.738 88 K HN 0.253 nan 8.250 nan 0.000 0.447 89 E N -0.787 119.442 120.200 0.049 0.000 2.429 89 E HA 0.327 4.604 4.350 -0.122 0.000 0.280 89 E C -1.254 175.342 176.600 -0.006 0.000 1.068 89 E CA -0.882 55.539 56.400 0.036 0.000 0.837 89 E CB 1.035 30.772 29.700 0.062 0.000 1.357 89 E HN -0.002 nan 8.360 nan 0.000 0.455 90 I N 1.391 121.929 120.570 -0.052 0.000 2.436 90 I HA 0.390 4.487 4.170 -0.122 0.000 0.289 90 I C -0.988 175.008 176.117 -0.203 0.000 1.010 90 I CA -1.208 60.012 61.300 -0.133 0.000 1.098 90 I CB 2.029 39.924 38.000 -0.176 0.000 1.266 90 I HN 0.323 nan 8.210 nan 0.000 0.434 91 V N 7.504 127.249 119.914 -0.282 0.000 2.459 91 V HA 0.489 4.536 4.120 -0.122 0.000 0.295 91 V C -0.274 175.630 176.094 -0.316 0.000 1.029 91 V CA -0.539 61.553 62.300 -0.347 0.000 0.874 91 V CB 1.778 33.243 31.823 -0.596 0.000 0.985 91 V HN 0.467 nan 8.190 nan 0.000 0.438 92 L N 4.626 125.713 121.223 -0.228 0.000 2.442 92 L HA 0.794 5.061 4.340 -0.122 0.000 0.261 92 L C -0.133 176.710 176.870 -0.045 0.000 1.000 92 L CA -0.308 54.427 54.840 -0.175 0.000 0.882 92 L CB 1.529 43.422 42.059 -0.278 0.000 1.207 92 L HN 0.732 nan 8.230 nan 0.000 0.443 93 A N 1.926 124.788 122.820 0.070 0.000 2.375 93 A HA 0.807 5.054 4.320 -0.122 0.000 0.291 93 A C 0.108 177.831 177.584 0.231 0.000 1.160 93 A CA -0.360 51.767 52.037 0.151 0.000 0.747 93 A CB 1.201 20.328 19.000 0.211 0.000 1.170 93 A HN 0.608 nan 8.150 nan 0.000 0.458 94 G N 0.679 109.592 108.800 0.188 0.000 2.425 94 G HA2 0.364 4.251 3.960 -0.122 0.000 0.302 94 G HA3 0.364 4.251 3.960 -0.122 0.000 0.302 94 G C 0.594 175.607 174.900 0.189 0.000 1.159 94 G CA -0.376 44.863 45.100 0.231 0.000 0.865 94 G HN 0.669 nan 8.290 nan 0.000 0.515 95 N N -0.286 118.535 118.700 0.201 0.000 2.309 95 N HA -0.037 4.629 4.740 -0.122 0.000 0.182 95 N C 0.215 175.787 175.510 0.104 0.000 1.018 95 N CA 1.525 54.657 53.050 0.136 0.000 0.876 95 N CB 0.120 38.684 38.487 0.128 0.000 0.972 95 N HN 0.747 nan 8.380 nan 0.000 0.434 96 D N -2.908 117.561 120.400 0.115 0.000 2.677 96 D HA 0.170 4.737 4.640 -0.122 0.000 0.298 96 D C 0.333 176.674 176.300 0.067 0.000 1.250 96 D CA -0.617 53.430 54.000 0.079 0.000 0.888 96 D CB 0.250 41.093 40.800 0.073 0.000 1.397 96 D HN -0.122 nan 8.370 nan 0.000 0.461 97 E N -0.550 119.672 120.200 0.038 0.000 2.085 97 E HA -0.226 4.051 4.350 -0.122 0.000 0.194 97 E C 1.758 178.359 176.600 0.001 0.000 0.994 97 E CA 1.006 57.416 56.400 0.016 0.000 0.801 97 E CB 0.041 29.737 29.700 -0.008 0.000 0.743 97 E HN 0.371 nan 8.360 nan 0.000 0.453 98 R N 0.365 120.844 120.500 -0.035 0.000 2.096 98 R HA -0.104 4.163 4.340 -0.122 0.000 0.235 98 R C 2.386 178.535 176.300 -0.252 0.000 1.127 98 R CA 1.378 57.358 56.100 -0.199 0.000 0.968 98 R CB -0.343 29.847 30.300 -0.185 0.000 0.861 98 R HN 0.189 nan 8.270 nan 0.000 0.440 99 G N -0.752 108.067 108.800 0.032 0.000 2.432 99 G HA2 -0.222 3.665 3.960 -0.122 0.000 0.219 99 G HA3 -0.222 3.665 3.960 -0.122 0.000 0.219 99 G C 1.238 176.245 174.900 0.177 0.000 1.135 99 G CA 1.217 46.466 45.100 0.247 0.000 0.767 99 G HN 0.351 nan 8.290 nan 0.000 0.550 100 T N -0.199 114.410 114.554 0.091 0.000 2.777 100 T HA -0.150 4.127 4.350 -0.122 0.000 0.266 100 T C 1.968 176.657 174.700 -0.019 0.000 1.040 100 T CA 1.177 63.299 62.100 0.037 0.000 1.141 100 T CB -0.332 68.560 68.868 0.039 0.000 0.868 100 T HN 0.351 nan 8.240 nan 0.000 0.444 101 Y N 1.072 121.297 120.300 -0.126 0.000 2.128 101 Y HA -0.231 4.245 4.550 -0.122 0.000 0.284 101 Y C 2.088 177.943 175.900 -0.076 0.000 1.154 101 Y CA 1.164 59.194 58.100 -0.117 0.000 1.149 101 Y CB -0.507 37.861 38.460 -0.153 0.000 0.976 101 Y HN 0.167 nan 8.280 nan 0.000 0.505 102 Y N -0.210 120.046 120.300 -0.073 0.000 2.274 102 Y HA -0.155 4.321 4.550 -0.122 0.000 0.290 102 Y C 2.663 178.077 175.900 -0.810 0.000 1.145 102 Y CA 0.490 58.403 58.100 -0.312 0.000 1.203 102 Y CB -1.556 36.914 38.460 0.016 0.000 0.984 102 Y HN 0.264 nan 8.280 nan 0.000 0.533 103 A N -0.052 122.268 122.820 -0.834 0.000 1.908 103 A HA -0.150 4.097 4.320 -0.122 0.000 0.218 103 A C 2.286 179.587 177.584 -0.473 0.000 1.181 103 A CA 1.414 52.836 52.037 -1.025 0.000 0.627 103 A CB -0.874 17.839 19.000 -0.477 0.000 0.818 103 A HN 0.322 nan 8.150 nan 0.000 0.445 104 L N -0.388 120.630 121.223 -0.342 0.000 2.093 104 L HA -0.141 4.126 4.340 -0.122 0.000 0.208 104 L C 2.664 179.413 176.870 -0.201 0.000 1.085 104 L CA 1.519 56.233 54.840 -0.209 0.000 0.755 104 L CB -1.302 40.621 42.059 -0.226 0.000 0.904 104 L HN 0.467 nan 8.230 nan 0.000 0.435 105 Q N -0.952 118.644 119.800 -0.341 0.000 2.119 105 Q HA -0.122 4.145 4.340 -0.122 0.000 0.201 105 Q C 2.109 177.969 176.000 -0.235 0.000 0.972 105 Q CA 1.630 57.252 55.803 -0.302 0.000 0.847 105 Q CB -0.565 27.973 28.738 -0.334 0.000 0.903 105 Q HN 0.453 nan 8.270 nan 0.000 0.433 106 T N 1.104 115.514 114.554 -0.240 0.000 2.812 106 T HA -0.082 4.194 4.350 -0.122 0.000 0.264 106 T C 1.467 176.129 174.700 -0.063 0.000 1.042 106 T CA 0.708 62.722 62.100 -0.143 0.000 1.140 106 T CB -0.360 68.471 68.868 -0.063 0.000 0.870 106 T HN 0.173 nan 8.240 nan 0.000 0.445 107 F N 2.674 122.504 119.950 -0.200 0.000 2.043 107 F HA -0.133 4.321 4.527 -0.122 0.000 0.297 107 F C 2.531 178.248 175.800 -0.139 0.000 1.121 107 F CA 1.127 59.031 58.000 -0.160 0.000 1.199 107 F CB -1.005 37.890 39.000 -0.175 0.000 0.968 107 F HN 0.160 nan 8.300 nan 0.000 0.478 108 A N -0.338 122.394 122.820 -0.147 0.000 1.971 108 A HA -0.321 3.926 4.320 -0.122 0.000 0.222 108 A C 2.111 179.564 177.584 -0.219 0.000 1.182 108 A CA 2.273 54.185 52.037 -0.208 0.000 0.649 108 A CB -0.930 17.995 19.000 -0.124 0.000 0.818 108 A HN 0.688 nan 8.150 nan 0.000 0.458 109 Q N -0.956 118.733 119.800 -0.184 0.000 2.245 109 Q HA 0.109 4.376 4.340 -0.122 0.000 0.201 109 Q C 1.962 177.864 176.000 -0.162 0.000 0.955 109 Q CA 0.838 56.553 55.803 -0.148 0.000 0.870 109 Q CB -0.155 28.512 28.738 -0.118 0.000 0.945 109 Q HN 0.700 nan 8.270 nan 0.000 0.461 110 L N 0.281 121.376 121.223 -0.213 0.000 2.156 110 L HA -0.068 4.199 4.340 -0.122 0.000 0.208 110 L C 0.857 177.573 176.870 -0.256 0.000 1.095 110 L CA 0.068 54.783 54.840 -0.209 0.000 0.770 110 L CB -0.056 41.881 42.059 -0.204 0.000 0.914 110 L HN 0.211 nan 8.230 nan 0.000 0.439 111 L N 1.896 122.895 121.223 -0.374 0.000 2.454 111 L HA 0.254 4.521 4.340 -0.122 0.000 0.284 111 L C 0.314 177.061 176.870 -0.206 0.000 1.139 111 L CA 0.530 55.159 54.840 -0.352 0.000 0.911 111 L CB -0.175 41.580 42.059 -0.507 0.000 1.262 111 L HN -0.061 nan 8.230 nan 0.000 0.453 112 K N 3.099 123.411 120.400 -0.147 0.000 2.425 112 K HA 0.480 4.727 4.320 -0.122 0.000 0.259 112 K C 0.161 176.716 176.600 -0.075 0.000 0.978 112 K CA -0.055 56.173 56.287 -0.098 0.000 0.883 112 K CB 0.537 32.990 32.500 -0.078 0.000 1.110 112 K HN 0.631 nan 8.250 nan 0.000 0.436 113 D N 1.811 122.171 120.400 -0.066 0.000 2.760 113 D HA -0.138 4.429 4.640 -0.122 0.000 0.244 113 D C 1.160 177.433 176.300 -0.045 0.000 1.123 113 D CA 2.532 56.504 54.000 -0.047 0.000 0.719 113 D CB -1.318 39.460 40.800 -0.036 0.000 1.045 113 D HN 1.720 nan 8.370 nan 0.000 0.426 114 G N 0.325 109.093 108.800 -0.053 0.000 2.219 114 G HA2 -0.382 3.505 3.960 -0.122 0.000 0.271 114 G HA3 -0.382 3.505 3.960 -0.122 0.000 0.271 114 G C 0.432 175.305 174.900 -0.045 0.000 0.991 114 G CA 1.246 46.320 45.100 -0.044 0.000 0.685 114 G HN 0.603 nan 8.290 nan 0.000 0.531 115 K N -0.858 119.506 120.400 -0.060 0.000 2.267 115 K HA 0.815 5.062 4.320 -0.122 0.000 0.246 115 K C -0.324 176.225 176.600 -0.086 0.000 0.954 115 K CA -0.839 55.416 56.287 -0.053 0.000 0.824 115 K CB 2.074 34.551 32.500 -0.038 0.000 1.167 115 K HN 0.110 nan 8.250 nan 0.000 0.431 116 L N 2.135 123.318 121.223 -0.067 0.000 2.371 116 L HA 0.520 4.787 4.340 -0.122 0.000 0.262 116 L C -2.457 174.387 176.870 -0.042 0.000 1.006 116 L CA -2.153 52.638 54.840 -0.082 0.000 0.818 116 L CB 2.445 44.467 42.059 -0.062 0.000 1.354 116 L HN 0.452 nan 8.230 nan 0.000 0.415 117 P HA 0.146 nan 4.420 nan 0.000 0.279 117 P C -1.329 175.968 177.300 -0.004 0.000 1.252 117 P CA -0.584 62.503 63.100 -0.020 0.000 0.811 117 P CB 0.777 32.463 31.700 -0.023 0.000 1.035 118 E N 0.993 121.195 120.200 0.003 0.000 2.223 118 E HA 0.373 4.650 4.350 -0.122 0.000 0.282 118 E C -0.707 175.897 176.600 0.008 0.000 1.046 118 E CA -0.619 55.787 56.400 0.011 0.000 0.857 118 E CB 0.173 29.882 29.700 0.015 0.000 1.055 118 E HN 0.303 nan 8.360 nan 0.000 0.409 119 V N 0.901 120.818 119.914 0.004 0.000 3.087 119 V HA 0.593 4.640 4.120 -0.122 0.000 0.306 119 V C -0.892 175.191 176.094 -0.018 0.000 1.187 119 V CA -1.045 61.255 62.300 0.000 0.000 0.999 119 V CB 1.896 33.719 31.823 -0.000 0.000 1.049 119 V HN 0.762 nan 8.190 nan 0.000 0.431 120 E N 1.746 121.944 120.200 -0.004 0.000 2.234 120 E HA 0.766 5.043 4.350 -0.122 0.000 0.266 120 E C -1.811 174.792 176.600 0.006 0.000 0.877 120 E CA -0.783 55.606 56.400 -0.019 0.000 0.758 120 E CB 2.324 32.070 29.700 0.077 0.000 1.170 120 E HN 0.801 nan 8.360 nan 0.000 0.415 121 I N 3.436 123.984 120.570 -0.036 0.000 2.582 121 I HA 0.365 4.462 4.170 -0.122 0.000 0.292 121 I C -0.827 175.317 176.117 0.045 0.000 1.066 121 I CA -0.720 60.589 61.300 0.014 0.000 1.053 121 I CB 2.098 40.127 38.000 0.048 0.000 1.241 121 I HN 0.250 nan 8.210 nan 0.000 0.421 122 K N 4.095 124.523 120.400 0.046 0.000 2.426 122 K HA 0.600 4.847 4.320 -0.122 0.000 0.254 122 K C -1.569 174.971 176.600 -0.099 0.000 0.936 122 K CA -0.790 55.527 56.287 0.050 0.000 0.801 122 K CB 2.294 34.890 32.500 0.160 0.000 1.139 122 K HN 0.396 nan 8.250 nan 0.000 0.424 123 D N 1.658 121.889 120.400 -0.283 0.000 2.602 123 D HA 0.509 5.076 4.640 -0.122 0.000 0.236 123 D C -1.769 174.454 176.300 -0.129 0.000 1.209 123 D CA -0.247 53.548 54.000 -0.341 0.000 0.831 123 D CB 1.328 41.851 40.800 -0.462 0.000 1.478 123 D HN 0.421 nan 8.370 nan 0.000 0.438 124 Y N -1.846 118.341 120.300 -0.189 0.000 2.687 124 Y HA 0.548 5.025 4.550 -0.122 0.000 0.338 124 Y C -3.095 172.042 175.900 -1.271 0.000 1.189 124 Y CA -1.864 55.958 58.100 -0.463 0.000 1.097 124 Y CB 0.690 38.916 38.460 -0.391 0.000 1.342 124 Y HN 0.063 nan 8.280 nan 0.000 0.461 125 P HA 0.285 nan 4.420 nan 0.000 0.282 125 P C -0.190 176.700 177.300 -0.684 0.000 1.249 125 P CA -0.290 61.871 63.100 -1.565 0.000 0.806 125 P CB 2.132 33.209 31.700 -1.039 0.000 0.984 126 S N 0.436 115.779 115.700 -0.595 0.000 2.446 126 S HA 0.058 4.455 4.470 -0.122 0.000 0.225 126 S C 0.907 175.352 174.600 -0.259 0.000 1.016 126 S CA 0.380 58.378 58.200 -0.336 0.000 0.943 126 S CB 0.018 63.026 63.200 -0.320 0.000 0.786 126 S HN 0.322 nan 8.310 nan 0.000 0.508 127 V N 2.131 121.879 119.914 -0.277 0.000 2.459 127 V HA 0.378 4.425 4.120 -0.122 0.000 0.295 127 V C 0.945 176.924 176.094 -0.191 0.000 1.029 127 V CA -0.739 61.445 62.300 -0.193 0.000 0.874 127 V CB 1.805 33.533 31.823 -0.159 0.000 0.985 127 V HN 0.104 nan 8.190 nan 0.000 0.438 128 R N 4.154 124.522 120.500 -0.221 0.000 2.066 128 R HA -0.041 4.226 4.340 -0.122 0.000 0.232 128 R C -0.198 175.813 176.300 -0.480 0.000 1.131 128 R CA 1.678 57.545 56.100 -0.388 0.000 0.955 128 R CB -0.072 29.915 30.300 -0.522 0.000 0.851 128 R HN 0.583 nan 8.270 nan 0.000 0.432 129 Y N 0.017 120.300 120.300 -0.029 0.000 2.364 129 Y HA 0.543 5.019 4.550 -0.122 0.000 0.340 129 Y C -0.518 175.360 175.900 -0.037 0.000 0.975 129 Y CA -0.985 57.107 58.100 -0.013 0.000 1.089 129 Y CB 1.799 40.235 38.460 -0.040 0.000 1.192 129 Y HN -0.098 nan 8.280 nan 0.000 0.454 130 R N 1.813 122.442 120.500 0.216 0.000 2.533 130 R HA 0.760 5.027 4.340 -0.122 0.000 0.288 130 R C -0.257 176.129 176.300 0.144 0.000 1.039 130 R CA -0.722 55.477 56.100 0.164 0.000 0.909 130 R CB 2.163 32.547 30.300 0.140 0.000 1.195 130 R HN 0.926 nan 8.270 nan 0.000 0.438 131 G N 0.779 109.646 108.800 0.112 0.000 2.512 131 G HA2 0.296 4.183 3.960 -0.122 0.000 0.181 131 G HA3 0.296 4.183 3.960 -0.122 0.000 0.181 131 G C -1.800 173.077 174.900 -0.039 0.000 1.173 131 G CA -0.447 44.640 45.100 -0.021 0.000 0.988 131 G HN 0.304 nan 8.290 nan 0.000 0.485 132 V N 0.043 119.882 119.914 -0.124 0.000 2.656 132 V HA 0.696 4.743 4.120 -0.122 0.000 0.307 132 V C -0.599 175.400 176.094 -0.157 0.000 1.051 132 V CA -0.759 61.498 62.300 -0.071 0.000 0.893 132 V CB 1.618 33.459 31.823 0.029 0.000 0.999 132 V HN 1.092 nan 8.190 nan 0.000 0.426 133 V N 4.282 123.998 119.914 -0.331 0.000 2.357 133 V HA 0.456 4.503 4.120 -0.122 0.000 0.284 133 V C 0.307 176.033 176.094 -0.612 0.000 1.018 133 V CA -0.265 61.682 62.300 -0.587 0.000 0.841 133 V CB 1.436 32.694 31.823 -0.942 0.000 0.991 133 V HN 1.034 nan 8.190 nan 0.000 0.437 134 E N 4.994 124.774 120.200 -0.700 0.000 1.775 134 E HA 0.328 4.605 4.350 -0.122 0.000 0.266 134 E C 0.784 176.758 176.600 -1.045 0.000 1.191 134 E CA 0.399 56.250 56.400 -0.914 0.000 1.048 134 E CB 0.110 29.241 29.700 -0.948 0.000 1.081 134 E HN 0.923 nan 8.360 nan 0.000 0.434 135 G N 4.063 112.354 108.800 -0.850 0.000 3.839 135 G HA2 0.101 3.988 3.960 -0.122 0.000 0.286 135 G HA3 0.101 3.988 3.960 -0.122 0.000 0.286 135 G C -0.106 174.521 174.900 -0.456 0.000 1.005 135 G CA -0.427 44.300 45.100 -0.622 0.000 0.824 135 G HN 0.428 nan 8.290 nan 0.000 0.489 136 F N -0.619 119.100 119.950 -0.385 0.000 2.368 136 F HA 0.759 5.215 4.527 -0.120 0.000 0.315 136 F C -0.234 175.342 175.800 -0.373 0.000 1.145 136 F CA -2.568 55.253 58.000 -0.299 0.000 1.095 136 F CB 0.312 39.173 39.000 -0.231 0.000 1.286 136 F HN -0.047 nan 8.300 nan 0.000 0.530 137 Y N 0.723 121.098 120.300 0.124 0.000 2.299 137 Y HA 0.554 5.030 4.550 -0.123 0.000 0.326 137 Y C 0.867 176.874 175.900 0.177 0.000 1.164 137 Y CA 0.410 58.539 58.100 0.049 0.000 1.234 137 Y CB 0.954 39.369 38.460 -0.076 0.000 1.219 137 Y HN 1.087 nan 8.280 nan 0.000 0.497 138 G N 0.465 109.445 108.800 0.300 0.000 2.331 138 G HA2 -0.092 3.795 3.960 -0.122 0.000 0.402 138 G HA3 -0.092 3.795 3.960 -0.122 0.000 0.402 138 G C -1.075 173.980 174.900 0.258 0.000 1.275 138 G CA -1.162 44.090 45.100 0.254 0.000 1.003 138 G HN 0.487 nan 8.290 nan 0.000 0.500 139 T N 3.573 118.259 114.554 0.221 0.000 2.793 139 T HA 0.443 4.720 4.350 -0.122 0.000 0.289 139 T C -1.938 172.954 174.700 0.320 0.000 0.956 139 T CA 0.272 62.503 62.100 0.219 0.000 1.177 139 T CB 0.738 69.711 68.868 0.175 0.000 0.897 139 T HN 0.457 nan 8.240 nan 0.000 0.533 140 P HA 0.093 nan 4.420 nan 0.000 0.269 140 P C -0.014 177.504 177.300 0.363 0.000 1.215 140 P CA -0.723 62.477 63.100 0.166 0.000 0.780 140 P CB 0.418 32.129 31.700 0.017 0.000 0.898 141 W N 1.166 122.620 121.300 0.256 0.000 2.209 141 W HA 0.054 4.641 4.660 -0.123 0.000 0.344 141 W C 1.083 177.702 176.519 0.166 0.000 1.285 141 W CA -0.216 57.251 57.345 0.204 0.000 1.267 141 W CB -0.894 28.686 29.460 0.201 0.000 1.167 141 W HN 0.348 nan 8.180 nan 0.000 0.574 142 S N 0.841 116.740 115.700 0.333 0.000 2.593 142 S HA -0.047 4.349 4.470 -0.122 0.000 0.269 142 S C 1.070 175.812 174.600 0.238 0.000 1.334 142 S CA 0.147 58.491 58.200 0.240 0.000 1.015 142 S CB 0.858 64.148 63.200 0.150 0.000 0.912 142 S HN 0.556 nan 8.310 nan 0.000 0.541 143 H N 1.192 120.345 119.070 0.138 0.000 2.353 143 H HA -0.103 4.379 4.556 -0.122 0.000 0.298 143 H C 2.057 177.416 175.328 0.051 0.000 1.103 143 H CA 2.564 58.675 56.048 0.105 0.000 1.293 143 H CB -0.097 29.708 29.762 0.070 0.000 1.372 143 H HN 0.607 nan 8.280 nan 0.000 0.501 144 Q N -0.119 119.678 119.800 -0.004 0.000 2.119 144 Q HA -0.045 4.222 4.340 -0.122 0.000 0.201 144 Q C 2.601 178.511 176.000 -0.150 0.000 0.972 144 Q CA 1.117 56.859 55.803 -0.102 0.000 0.847 144 Q CB -0.610 28.111 28.738 -0.029 0.000 0.903 144 Q HN 0.620 nan 8.270 nan 0.000 0.433 145 A N 1.368 124.119 122.820 -0.115 0.000 1.883 145 A HA -0.230 4.016 4.320 -0.122 0.000 0.217 145 A C 2.182 179.604 177.584 -0.269 0.000 1.186 145 A CA 1.642 53.544 52.037 -0.226 0.000 0.624 145 A CB -0.475 18.372 19.000 -0.256 0.000 0.822 145 A HN 0.284 nan 8.150 nan 0.000 0.444 146 R N -0.626 119.801 120.500 -0.121 0.000 2.092 146 R HA 0.003 4.270 4.340 -0.122 0.000 0.231 146 R C 2.069 178.208 176.300 -0.268 0.000 1.119 146 R CA 1.285 57.318 56.100 -0.112 0.000 0.970 146 R CB -0.502 29.850 30.300 0.087 0.000 0.864 146 R HN 0.514 nan 8.270 nan 0.000 0.440 147 L N -0.100 120.943 121.223 -0.302 0.000 2.012 147 L HA -0.223 4.044 4.340 -0.122 0.000 0.210 147 L C 2.639 179.363 176.870 -0.244 0.000 1.073 147 L CA 1.373 56.045 54.840 -0.280 0.000 0.748 147 L CB -0.528 41.356 42.059 -0.291 0.000 0.891 147 L HN 0.222 nan 8.230 nan 0.000 0.431 148 S N -1.051 114.501 115.700 -0.248 0.000 2.368 148 S HA -0.198 4.199 4.470 -0.122 0.000 0.225 148 S C 2.029 176.448 174.600 -0.301 0.000 1.030 148 S CA 1.089 59.147 58.200 -0.236 0.000 0.999 148 S CB -0.058 62.995 63.200 -0.245 0.000 0.844 148 S HN 0.369 nan 8.310 nan 0.000 0.459 149 Q N 0.730 120.269 119.800 -0.436 0.000 2.061 149 Q HA -0.092 4.175 4.340 -0.122 0.000 0.204 149 Q C 2.341 177.746 176.000 -0.991 0.000 0.984 149 Q CA 1.431 56.828 55.803 -0.677 0.000 0.846 149 Q CB -0.685 27.657 28.738 -0.660 0.000 0.902 149 Q HN 0.558 nan 8.270 nan 0.000 0.421 150 L N 0.499 121.311 121.223 -0.686 0.000 2.042 150 L HA -0.221 4.046 4.340 -0.122 0.000 0.210 150 L C 2.414 179.163 176.870 -0.201 0.000 1.076 150 L CA 1.351 55.921 54.840 -0.451 0.000 0.749 150 L CB -0.344 41.581 42.059 -0.224 0.000 0.893 150 L HN 0.175 nan 8.230 nan 0.000 0.432 151 K N -0.784 119.531 120.400 -0.142 0.000 2.097 151 K HA -0.170 4.076 4.320 -0.122 0.000 0.205 151 K C 2.017 178.663 176.600 0.075 0.000 1.050 151 K CA 1.267 57.548 56.287 -0.009 0.000 0.938 151 K CB -0.233 32.259 32.500 -0.014 0.000 0.718 151 K HN 0.067 nan 8.250 nan 0.000 0.442 152 F N 0.593 120.465 119.950 -0.130 0.000 2.186 152 F HA -0.197 4.259 4.527 -0.119 0.000 0.299 152 F C 1.673 177.560 175.800 0.145 0.000 1.090 152 F CA 1.272 59.264 58.000 -0.013 0.000 1.307 152 F CB -0.038 38.931 39.000 -0.051 0.000 1.019 152 F HN -0.022 nan 8.300 nan 0.000 0.489 153 Y N 0.284 120.679 120.300 0.159 0.000 2.145 153 Y HA -0.015 4.462 4.550 -0.122 0.000 0.286 153 Y C 2.785 178.728 175.900 0.071 0.000 1.145 153 Y CA 0.582 58.738 58.100 0.094 0.000 1.148 153 Y CB -1.697 36.860 38.460 0.161 0.000 0.981 153 Y HN 0.082 nan 8.280 nan 0.000 0.507 154 G N 0.131 109.098 108.800 0.280 0.000 2.476 154 G HA2 -0.284 3.603 3.960 -0.122 0.000 0.218 154 G HA3 -0.284 3.603 3.960 -0.122 0.000 0.218 154 G C 1.775 176.813 174.900 0.229 0.000 1.164 154 G CA 1.077 46.393 45.100 0.360 0.000 0.768 154 G HN 0.340 nan 8.290 nan 0.000 0.560 155 K N 0.168 120.595 120.400 0.045 0.000 2.147 155 K HA -0.008 4.239 4.320 -0.122 0.000 0.205 155 K C 1.384 177.837 176.600 -0.246 0.000 1.049 155 K CA 0.883 57.104 56.287 -0.109 0.000 0.936 155 K CB -0.007 32.421 32.500 -0.120 0.000 0.722 155 K HN 0.217 nan 8.250 nan 0.000 0.446 156 N N 0.718 119.245 118.700 -0.289 0.000 2.235 156 N HA 0.049 4.716 4.740 -0.122 0.000 0.209 156 N C -0.737 174.540 175.510 -0.387 0.000 1.122 156 N CA 0.172 52.968 53.050 -0.424 0.000 0.845 156 N CB 0.806 38.970 38.487 -0.537 0.000 1.004 156 N HN 0.073 nan 8.380 nan 0.000 0.499 157 K N 0.067 120.271 120.400 -0.327 0.000 3.129 157 K HA -0.175 4.072 4.320 -0.122 0.000 0.273 157 K C -0.302 176.212 176.600 -0.143 0.000 1.123 157 K CA 0.600 56.553 56.287 -0.556 0.000 0.800 157 K CB -1.584 30.128 32.500 -1.313 0.000 1.238 157 K HN 0.295 nan 8.250 nan 0.000 0.492 158 M N 1.670 121.297 119.600 0.044 0.000 2.180 158 M HA 0.059 4.466 4.480 -0.122 0.000 0.358 158 M C 1.204 177.666 176.300 0.269 0.000 1.233 158 M CA -0.089 55.290 55.300 0.131 0.000 1.114 158 M CB 0.593 33.217 32.600 0.041 0.000 1.594 158 M HN 0.184 nan 8.290 nan 0.000 0.467 159 N N 0.437 119.319 118.700 0.303 0.000 2.203 159 N HA 0.081 4.748 4.740 -0.122 0.000 0.207 159 N C -0.804 174.890 175.510 0.307 0.000 1.130 159 N CA -0.194 53.072 53.050 0.361 0.000 0.861 159 N CB 0.593 39.335 38.487 0.425 0.000 1.005 159 N HN 0.376 nan 8.380 nan 0.000 0.507 160 T N 0.626 115.330 114.554 0.249 0.000 2.928 160 T HA 0.246 4.523 4.350 -0.122 0.000 0.296 160 T C -2.151 172.655 174.700 0.176 0.000 1.000 160 T CA -0.470 61.756 62.100 0.209 0.000 0.989 160 T CB 1.312 70.310 68.868 0.216 0.000 1.005 160 T HN 0.181 nan 8.240 nan 0.000 0.442 161 Y N 4.425 124.742 120.300 0.028 0.000 2.327 161 Y HA 0.634 5.111 4.550 -0.122 0.000 0.325 161 Y C -1.351 174.428 175.900 -0.201 0.000 0.999 161 Y CA -1.505 56.577 58.100 -0.030 0.000 1.195 161 Y CB 0.616 39.159 38.460 0.140 0.000 1.132 161 Y HN 0.589 nan 8.280 nan 0.000 0.455 162 I N 7.655 127.836 120.570 -0.648 0.000 2.312 162 I HA 0.160 4.257 4.170 -0.122 0.000 0.290 162 I C -1.011 174.456 176.117 -1.083 0.000 1.008 162 I CA -0.932 59.939 61.300 -0.716 0.000 1.226 162 I CB 0.772 38.532 38.000 -0.401 0.000 1.371 162 I HN 0.629 nan 8.210 nan 0.000 0.468 163 Y N 5.899 125.464 120.300 -1.224 0.000 2.404 163 Y HA 0.549 5.026 4.550 -0.122 0.000 0.344 163 Y C 0.630 175.998 175.900 -0.887 0.000 0.995 163 Y CA -0.303 57.175 58.100 -1.037 0.000 1.201 163 Y CB 1.067 39.100 38.460 -0.713 0.000 1.151 163 Y HN 0.609 nan 8.280 nan 0.000 0.517 164 G N 7.084 115.133 108.800 -1.252 0.000 5.072 164 G HA2 0.170 4.057 3.960 -0.122 0.000 0.208 164 G HA3 0.170 4.057 3.960 -0.122 0.000 0.208 164 G C -3.351 170.777 174.900 -1.287 0.000 0.804 164 G CA -0.895 43.329 45.100 -1.460 0.000 0.619 164 G HN 0.422 nan 8.290 nan 0.000 0.427 165 P HA 0.165 nan 4.420 nan 0.000 0.271 165 P C 0.975 177.934 177.300 -0.568 0.000 1.226 165 P CA -0.242 62.291 63.100 -0.946 0.000 0.765 165 P CB 1.520 32.742 31.700 -0.798 0.000 0.835 166 K N 2.021 122.094 120.400 -0.545 0.000 2.160 166 K HA -0.142 4.105 4.320 -0.122 0.000 0.206 166 K C 0.570 177.074 176.600 -0.160 0.000 1.047 166 K CA 1.576 57.609 56.287 -0.422 0.000 0.930 166 K CB -0.356 31.566 32.500 -0.964 0.000 0.720 166 K HN 0.487 nan 8.250 nan 0.000 0.450 167 D N 0.933 121.268 120.400 -0.108 0.000 2.328 167 D HA -0.054 4.513 4.640 -0.122 0.000 0.221 167 D C -0.054 176.281 176.300 0.058 0.000 1.072 167 D CA 0.161 54.174 54.000 0.021 0.000 0.850 167 D CB -0.055 40.791 40.800 0.077 0.000 0.922 167 D HN 0.110 nan 8.370 nan 0.000 0.516 168 D N 1.574 122.015 120.400 0.068 0.000 2.336 168 D HA 0.030 4.597 4.640 -0.122 0.000 0.249 168 D C -1.365 175.051 176.300 0.193 0.000 1.213 168 D CA -1.952 52.170 54.000 0.203 0.000 0.870 168 D CB 1.611 42.596 40.800 0.309 0.000 1.076 168 D HN -0.025 nan 8.370 nan 0.000 0.483 169 P HA -0.147 nan 4.420 nan 0.000 0.226 169 P C 0.620 177.781 177.300 -0.232 0.000 1.153 169 P CA 0.842 63.874 63.100 -0.113 0.000 0.777 169 P CB 0.012 31.556 31.700 -0.259 0.000 0.794 170 Y N -1.536 118.817 120.300 0.087 0.000 2.511 170 Y HA -0.006 4.471 4.550 -0.123 0.000 0.279 170 Y C 2.678 178.772 175.900 0.323 0.000 1.157 170 Y CA 0.666 58.741 58.100 -0.043 0.000 1.300 170 Y CB -0.849 37.145 38.460 -0.775 0.000 1.052 170 Y HN 0.151 nan 8.280 nan 0.000 0.529 171 H N -1.802 117.506 119.070 0.396 0.000 2.439 171 H HA 0.191 4.674 4.556 -0.122 0.000 0.299 171 H C 1.554 176.975 175.328 0.155 0.000 1.033 171 H CA 0.963 57.181 56.048 0.284 0.000 1.348 171 H CB 0.381 30.220 29.762 0.129 0.000 1.449 171 H HN 0.066 nan 8.280 nan 0.000 0.544 172 S N -0.935 114.760 115.700 -0.009 0.000 3.565 172 S HA 0.711 5.108 4.470 -0.122 0.000 0.242 172 S C -0.577 174.130 174.600 0.177 0.000 1.023 172 S CA -0.320 57.852 58.200 -0.046 0.000 1.300 172 S CB 0.076 63.197 63.200 -0.132 0.000 1.198 172 S HN 0.550 nan 8.310 nan 0.000 0.697 173 A N 2.132 125.041 122.820 0.148 0.000 2.477 173 A HA 0.475 4.722 4.320 -0.122 0.000 0.246 173 A C -1.880 175.725 177.584 0.035 0.000 1.078 173 A CA -0.753 51.362 52.037 0.131 0.000 0.770 173 A CB -0.244 18.817 19.000 0.100 0.000 1.011 173 A HN 0.663 nan 8.150 nan 0.000 0.494 174 P HA 0.126 nan 4.420 nan 0.000 0.275 174 P C -0.100 177.106 177.300 -0.155 0.000 1.310 174 P CA 0.208 63.283 63.100 -0.041 0.000 0.904 174 P CB 0.465 32.123 31.700 -0.069 0.000 1.381 175 N N 0.423 119.005 118.700 -0.196 0.000 2.321 175 N HA 0.045 4.712 4.740 -0.122 0.000 0.242 175 N C 1.256 176.677 175.510 -0.149 0.000 1.141 175 N CA -0.348 52.526 53.050 -0.294 0.000 0.864 175 N CB -0.528 37.644 38.487 -0.525 0.000 1.100 175 N HN 0.365 nan 8.380 nan 0.000 0.510 176 W N 0.613 121.880 121.300 -0.054 0.000 2.364 176 W HA -0.093 4.494 4.660 -0.123 0.000 0.281 176 W C 0.685 177.245 176.519 0.069 0.000 1.219 176 W CA 0.178 57.549 57.345 0.044 0.000 1.220 176 W CB -0.639 28.811 29.460 -0.016 0.000 1.127 176 W HN 0.056 nan 8.180 nan 0.000 0.556 177 R N 0.146 120.319 120.500 -0.545 0.000 2.236 177 R HA 0.044 4.311 4.340 -0.122 0.000 0.208 177 R C 0.215 176.425 176.300 -0.151 0.000 1.036 177 R CA 0.254 56.070 56.100 -0.473 0.000 1.001 177 R CB -0.324 29.512 30.300 -0.774 0.000 0.896 177 R HN -0.003 nan 8.270 nan 0.000 0.464 178 L N 1.645 122.831 121.223 -0.061 0.000 2.325 178 L HA 0.330 4.597 4.340 -0.122 0.000 0.279 178 L C -2.145 174.769 176.870 0.074 0.000 1.054 178 L CA -2.640 52.219 54.840 0.032 0.000 0.804 178 L CB 0.925 43.053 42.059 0.115 0.000 1.200 178 L HN -0.181 nan 8.230 nan 0.000 0.436 179 P HA 0.037 nan 4.420 nan 0.000 0.269 179 P C -0.927 176.233 177.300 -0.233 0.000 1.215 179 P CA -0.196 62.876 63.100 -0.048 0.000 0.780 179 P CB 0.140 31.826 31.700 -0.024 0.000 0.898 180 Y N 1.288 121.392 120.300 -0.326 0.000 2.702 180 Y HA 0.041 4.518 4.550 -0.122 0.000 0.336 180 Y C -1.175 174.466 175.900 -0.432 0.000 1.235 180 Y CA -0.720 57.016 58.100 -0.607 0.000 1.492 180 Y CB -1.234 36.992 38.460 -0.390 0.000 1.308 180 Y HN 0.375 nan 8.280 nan 0.000 0.589 181 P HA -0.052 nan 4.420 nan 0.000 0.270 181 P C 0.214 177.468 177.300 -0.077 0.000 1.227 181 P CA -0.032 62.987 63.100 -0.135 0.000 0.788 181 P CB 0.757 32.404 31.700 -0.088 0.000 0.926 182 D N 0.362 120.730 120.400 -0.055 0.000 2.116 182 D HA -0.199 4.368 4.640 -0.122 0.000 0.193 182 D C 1.658 177.919 176.300 -0.066 0.000 0.998 182 D CA 1.484 55.451 54.000 -0.055 0.000 0.836 182 D CB -0.217 40.559 40.800 -0.041 0.000 0.951 182 D HN 0.474 nan 8.370 nan 0.000 0.449 183 K N 0.820 121.188 120.400 -0.053 0.000 2.002 183 K HA -0.188 4.059 4.320 -0.122 0.000 0.209 183 K C 1.864 178.410 176.600 -0.090 0.000 1.048 183 K CA 1.275 57.524 56.287 -0.063 0.000 0.930 183 K CB 0.041 32.520 32.500 -0.036 0.000 0.714 183 K HN -0.117 nan 8.250 nan 0.000 0.438 184 E N 0.643 120.808 120.200 -0.059 0.000 2.085 184 E HA -0.155 4.121 4.350 -0.122 0.000 0.194 184 E C 1.847 178.332 176.600 -0.191 0.000 0.994 184 E CA 1.523 57.880 56.400 -0.071 0.000 0.801 184 E CB -0.334 29.406 29.700 0.066 0.000 0.743 184 E HN 0.475 nan 8.360 nan 0.000 0.453 185 A N 0.838 123.561 122.820 -0.163 0.000 1.902 185 A HA -0.114 4.133 4.320 -0.122 0.000 0.217 185 A C 2.351 179.808 177.584 -0.212 0.000 1.181 185 A CA 1.975 53.883 52.037 -0.215 0.000 0.623 185 A CB -0.822 18.100 19.000 -0.130 0.000 0.818 185 A HN 0.293 nan 8.150 nan 0.000 0.443 186 A N -1.043 121.678 122.820 -0.165 0.000 2.014 186 A HA -0.123 4.124 4.320 -0.122 0.000 0.218 186 A C 2.097 179.573 177.584 -0.181 0.000 1.163 186 A CA 1.421 53.367 52.037 -0.152 0.000 0.652 186 A CB -0.428 18.500 19.000 -0.119 0.000 0.808 186 A HN 0.659 nan 8.150 nan 0.000 0.449 187 Q N -0.367 119.295 119.800 -0.230 0.000 2.016 187 Q HA -0.095 4.172 4.340 -0.122 0.000 0.200 187 Q C 2.054 177.978 176.000 -0.126 0.000 0.978 187 Q CA 1.467 57.091 55.803 -0.298 0.000 0.833 187 Q CB -0.334 28.159 28.738 -0.409 0.000 0.895 187 Q HN 0.671 nan 8.270 nan 0.000 0.427 188 L N 0.521 121.600 121.223 -0.239 0.000 2.042 188 L HA -0.271 3.996 4.340 -0.122 0.000 0.210 188 L C 2.640 179.275 176.870 -0.391 0.000 1.076 188 L CA 1.363 55.985 54.840 -0.364 0.000 0.749 188 L CB -0.426 41.281 42.059 -0.586 0.000 0.893 188 L HN 0.327 nan 8.230 nan 0.000 0.432 189 Q N -0.111 119.507 119.800 -0.303 0.000 2.096 189 Q HA -0.286 3.981 4.340 -0.122 0.000 0.204 189 Q C 2.211 178.096 176.000 -0.191 0.000 0.982 189 Q CA 1.971 57.621 55.803 -0.256 0.000 0.850 189 Q CB -0.004 28.619 28.738 -0.190 0.000 0.901 189 Q HN 0.466 nan 8.270 nan 0.000 0.422 190 E N -0.025 120.108 120.200 -0.112 0.000 2.077 190 E HA -0.200 4.077 4.350 -0.122 0.000 0.193 190 E C 2.052 178.625 176.600 -0.045 0.000 0.989 190 E CA 0.896 57.272 56.400 -0.039 0.000 0.800 190 E CB -0.087 29.649 29.700 0.061 0.000 0.746 190 E HN 0.377 nan 8.360 nan 0.000 0.452 191 L N 0.380 121.586 121.223 -0.028 0.000 2.013 191 L HA -0.234 4.033 4.340 -0.122 0.000 0.212 191 L C 2.586 179.377 176.870 -0.132 0.000 1.073 191 L CA 1.042 55.858 54.840 -0.040 0.000 0.753 191 L CB -0.553 41.562 42.059 0.093 0.000 0.890 191 L HN 0.125 nan 8.230 nan 0.000 0.432 192 V N 0.053 119.746 119.914 -0.368 0.000 2.343 192 V HA -0.307 3.740 4.120 -0.122 0.000 0.247 192 V C 2.748 178.746 176.094 -0.161 0.000 1.051 192 V CA 1.875 63.963 62.300 -0.353 0.000 1.036 192 V CB -0.906 30.626 31.823 -0.485 0.000 0.654 192 V HN 0.503 nan 8.190 nan 0.000 0.451 193 A N -0.406 122.327 122.820 -0.144 0.000 1.930 193 A HA -0.137 4.110 4.320 -0.122 0.000 0.217 193 A C 2.378 179.903 177.584 -0.098 0.000 1.175 193 A CA 1.962 53.937 52.037 -0.104 0.000 0.627 193 A CB -0.587 18.363 19.000 -0.084 0.000 0.815 193 A HN 0.341 nan 8.150 nan 0.000 0.443 194 V N -0.170 119.694 119.914 -0.084 0.000 2.358 194 V HA -0.211 3.836 4.120 -0.122 0.000 0.246 194 V C 3.056 179.101 176.094 -0.083 0.000 1.047 194 V CA 1.776 64.025 62.300 -0.084 0.000 1.035 194 V CB -1.239 30.537 31.823 -0.079 0.000 0.658 194 V HN 0.612 nan 8.190 nan 0.000 0.452 195 A N 0.630 123.436 122.820 -0.023 0.000 1.865 195 A HA -0.283 3.963 4.320 -0.122 0.000 0.217 195 A C 2.076 179.627 177.584 -0.054 0.000 1.191 195 A CA 2.322 54.382 52.037 0.038 0.000 0.623 195 A CB -0.818 18.313 19.000 0.218 0.000 0.826 195 A HN 0.582 nan 8.150 nan 0.000 0.444 196 N N 0.113 118.759 118.700 -0.091 0.000 2.061 196 N HA -0.176 4.491 4.740 -0.122 0.000 0.193 196 N C 1.575 176.798 175.510 -0.479 0.000 1.030 196 N CA 1.785 54.739 53.050 -0.160 0.000 0.856 196 N CB -0.571 37.859 38.487 -0.094 0.000 1.023 196 N HN 0.689 nan 8.380 nan 0.000 0.424 197 E N 0.001 119.890 120.200 -0.518 0.000 2.265 197 E HA -0.026 4.251 4.350 -0.122 0.000 0.196 197 E C 0.458 176.648 176.600 -0.684 0.000 0.996 197 E CA 0.520 56.439 56.400 -0.802 0.000 0.832 197 E CB -0.020 29.486 29.700 -0.324 0.000 0.756 197 E HN 0.367 nan 8.360 nan 0.000 0.491 198 N N 0.579 119.012 118.700 -0.444 0.000 2.214 198 N HA -0.014 4.653 4.740 -0.122 0.000 0.214 198 N C -0.601 174.660 175.510 -0.416 0.000 1.132 198 N CA 0.179 53.031 53.050 -0.331 0.000 0.856 198 N CB 0.878 39.346 38.487 -0.032 0.000 1.020 198 N HN 0.006 nan 8.380 nan 0.000 0.509 199 E N -0.234 119.666 120.200 -0.500 0.000 2.586 199 E HA -0.145 4.132 4.350 -0.122 0.000 0.259 199 E C -0.650 175.961 176.600 0.018 0.000 1.107 199 E CA 0.410 56.642 56.400 -0.279 0.000 0.754 199 E CB -1.868 27.556 29.700 -0.460 0.000 1.335 199 E HN 0.080 nan 8.360 nan 0.000 0.411 200 V N 1.405 121.358 119.914 0.065 0.000 2.394 200 V HA 0.160 4.207 4.120 -0.122 0.000 0.282 200 V C 0.508 176.718 176.094 0.194 0.000 1.031 200 V CA -0.691 61.728 62.300 0.199 0.000 0.881 200 V CB 1.686 33.669 31.823 0.267 0.000 0.982 200 V HN -0.041 nan 8.190 nan 0.000 0.451 201 D N 4.022 124.550 120.400 0.213 0.000 2.363 201 D HA 0.095 4.662 4.640 -0.122 0.000 0.263 201 D C -0.292 176.146 176.300 0.231 0.000 1.258 201 D CA 0.309 54.423 54.000 0.191 0.000 0.907 201 D CB 0.451 41.349 40.800 0.163 0.000 1.107 201 D HN 0.444 nan 8.370 nan 0.000 0.495 202 F N 3.293 123.297 119.950 0.091 0.000 2.444 202 F HA 0.167 4.621 4.527 -0.122 0.000 0.360 202 F C -0.188 175.595 175.800 -0.028 0.000 1.106 202 F CA -0.527 57.546 58.000 0.121 0.000 1.170 202 F CB 0.536 39.595 39.000 0.099 0.000 1.113 202 F HN 0.000 nan 8.300 nan 0.000 0.521 203 V N 7.377 127.183 119.914 -0.180 0.000 2.333 203 V HA 0.025 4.072 4.120 -0.122 0.000 0.274 203 V C -0.675 175.259 176.094 -0.266 0.000 1.028 203 V CA -0.752 61.420 62.300 -0.213 0.000 0.851 203 V CB 0.495 32.183 31.823 -0.226 0.000 1.000 203 V HN 0.773 nan 8.190 nan 0.000 0.456 204 W N 5.509 126.632 121.300 -0.295 0.000 2.335 204 W HA 0.642 5.228 4.660 -0.123 0.000 0.306 204 W C 0.306 176.742 176.519 -0.139 0.000 1.216 204 W CA -0.333 56.933 57.345 -0.131 0.000 1.237 204 W CB 0.854 30.316 29.460 0.004 0.000 1.243 204 W HN 0.656 nan 8.180 nan 0.000 0.493 205 A N 7.345 129.649 122.820 -0.860 0.000 2.303 205 A HA 0.708 4.955 4.320 -0.122 0.000 0.317 205 A C -1.287 175.640 177.584 -1.095 0.000 1.149 205 A CA -0.721 50.737 52.037 -0.964 0.000 0.822 205 A CB 0.885 19.043 19.000 -1.405 0.000 1.131 205 A HN 0.754 nan 8.150 nan 0.000 0.493 206 I N 0.763 120.906 120.570 -0.713 0.000 2.646 206 I HA 0.388 4.485 4.170 -0.122 0.000 0.299 206 I C -0.734 174.960 176.117 -0.705 0.000 1.036 206 I CA -0.536 60.398 61.300 -0.610 0.000 1.074 206 I CB 1.748 39.664 38.000 -0.141 0.000 1.258 206 I HN 0.808 nan 8.210 nan 0.000 0.430 207 H N 7.902 126.411 119.070 -0.935 0.000 2.448 207 H HA 0.398 4.881 4.556 -0.121 0.000 0.237 207 H C -2.467 172.370 175.328 -0.818 0.000 1.391 207 H CA -1.732 53.839 56.048 -0.796 0.000 1.477 207 H CB 1.326 30.617 29.762 -0.785 0.000 1.520 207 H HN 0.382 nan 8.280 nan 0.000 0.502 208 P HA 0.120 nan 4.420 nan 0.000 0.257 208 P C 1.430 178.235 177.300 -0.824 0.000 1.241 208 P CA 0.463 62.563 63.100 -1.666 0.000 0.816 208 P CB 0.394 30.816 31.700 -2.130 0.000 1.150 209 G N 1.873 110.291 108.800 -0.638 0.000 2.443 209 G HA2 -0.237 3.649 3.960 -0.122 0.000 0.219 209 G HA3 -0.237 3.649 3.960 -0.122 0.000 0.219 209 G C 1.596 176.425 174.900 -0.118 0.000 1.131 209 G CA 0.550 45.518 45.100 -0.220 0.000 0.775 209 G HN 0.324 nan 8.290 nan 0.000 0.547 210 Q N 1.548 121.294 119.800 -0.090 0.000 2.170 210 Q HA -0.100 4.167 4.340 -0.122 0.000 0.203 210 Q C 1.084 177.093 176.000 0.015 0.000 0.976 210 Q CA 1.852 57.662 55.803 0.012 0.000 0.858 210 Q CB -0.276 28.507 28.738 0.075 0.000 0.907 210 Q HN 0.584 nan 8.270 nan 0.000 0.433 211 D N -0.686 119.739 120.400 0.042 0.000 2.539 211 D HA 0.165 4.732 4.640 -0.122 0.000 0.232 211 D C 0.342 176.667 176.300 0.042 0.000 1.256 211 D CA -0.663 53.371 54.000 0.057 0.000 0.810 211 D CB -0.530 40.334 40.800 0.106 0.000 1.090 211 D HN 0.250 nan 8.370 nan 0.000 0.519 212 I N 1.138 121.678 120.570 -0.050 0.000 2.752 212 I HA 0.022 4.119 4.170 -0.122 0.000 0.287 212 I C -0.057 175.836 176.117 -0.372 0.000 1.188 212 I CA 0.232 61.431 61.300 -0.168 0.000 1.427 212 I CB 0.384 38.108 38.000 -0.461 0.000 1.365 212 I HN -0.199 nan 8.210 nan 0.000 0.585 213 K N 6.386 126.621 120.400 -0.274 0.000 2.182 213 K HA 0.219 4.466 4.320 -0.122 0.000 0.262 213 K C -1.356 175.096 176.600 -0.247 0.000 0.957 213 K CA -0.468 55.662 56.287 -0.262 0.000 0.842 213 K CB 1.142 33.591 32.500 -0.085 0.000 1.099 213 K HN 0.581 nan 8.250 nan 0.000 0.438 214 W N 4.265 125.575 121.300 0.016 0.000 1.438 214 W HA 0.044 4.631 4.660 -0.122 0.000 0.455 214 W C 0.330 176.835 176.519 -0.023 0.000 0.656 214 W CA -0.553 56.786 57.345 -0.009 0.000 2.049 214 W CB -0.252 29.196 29.460 -0.019 0.000 1.683 214 W HN 0.580 nan 8.180 nan 0.000 0.228 215 N N -1.300 117.491 118.700 0.152 0.000 2.571 215 N HA 0.305 4.972 4.740 -0.122 0.000 0.273 215 N C 0.325 175.852 175.510 0.028 0.000 1.340 215 N CA -1.134 51.959 53.050 0.072 0.000 0.789 215 N CB 1.043 39.555 38.487 0.041 0.000 1.514 215 N HN -0.084 nan 8.380 nan 0.000 0.499 216 K N -0.185 120.212 120.400 -0.006 0.000 2.152 216 K HA -0.184 4.063 4.320 -0.122 0.000 0.206 216 K C 1.351 177.935 176.600 -0.027 0.000 1.048 216 K CA 1.630 57.892 56.287 -0.040 0.000 0.933 216 K CB 0.005 32.486 32.500 -0.032 0.000 0.721 216 K HN 0.764 nan 8.250 nan 0.000 0.447 217 E N 1.038 121.231 120.200 -0.012 0.000 2.051 217 E HA -0.228 4.049 4.350 -0.122 0.000 0.192 217 E C 1.252 177.847 176.600 -0.009 0.000 0.991 217 E CA 1.606 57.997 56.400 -0.014 0.000 0.799 217 E CB 0.082 29.770 29.700 -0.020 0.000 0.748 217 E HN 0.157 nan 8.360 nan 0.000 0.449 218 D N -0.023 120.384 120.400 0.011 0.000 2.183 218 D HA -0.123 4.444 4.640 -0.122 0.000 0.203 218 D C 1.939 178.297 176.300 0.095 0.000 0.969 218 D CA 0.609 54.653 54.000 0.073 0.000 0.842 218 D CB -0.219 40.644 40.800 0.105 0.000 0.957 218 D HN 0.159 nan 8.370 nan 0.000 0.484 219 R N 0.751 121.268 120.500 0.028 0.000 2.080 219 R HA -0.151 4.116 4.340 -0.122 0.000 0.236 219 R C 1.236 177.526 176.300 -0.018 0.000 1.137 219 R CA 1.614 57.696 56.100 -0.029 0.000 0.943 219 R CB -0.006 30.196 30.300 -0.164 0.000 0.846 219 R HN 0.028 nan 8.270 nan 0.000 0.431 220 D N 0.419 120.812 120.400 -0.012 0.000 2.144 220 D HA -0.129 4.438 4.640 -0.122 0.000 0.200 220 D C 1.899 178.204 176.300 0.008 0.000 0.978 220 D CA 0.666 54.674 54.000 0.013 0.000 0.833 220 D CB -0.080 40.727 40.800 0.013 0.000 0.961 220 D HN 0.148 nan 8.370 nan 0.000 0.470 221 L N 0.717 121.945 121.223 0.008 0.000 2.083 221 L HA -0.080 4.187 4.340 -0.122 0.000 0.209 221 L C 2.408 179.312 176.870 0.056 0.000 1.083 221 L CA 1.008 55.847 54.840 -0.002 0.000 0.752 221 L CB -1.185 40.829 42.059 -0.074 0.000 0.899 221 L HN 0.107 nan 8.230 nan 0.000 0.433 222 L N -1.453 119.841 121.223 0.119 0.000 2.017 222 L HA -0.212 4.055 4.340 -0.122 0.000 0.208 222 L C 2.331 179.051 176.870 -0.249 0.000 1.073 222 L CA 1.023 55.876 54.840 0.022 0.000 0.745 222 L CB -0.128 41.870 42.059 -0.102 0.000 0.894 222 L HN 0.156 nan 8.230 nan 0.000 0.432 223 L N -0.256 120.845 121.223 -0.204 0.000 2.141 223 L HA -0.152 4.115 4.340 -0.122 0.000 0.209 223 L C 2.796 179.574 176.870 -0.153 0.000 1.094 223 L CA 1.777 56.460 54.840 -0.261 0.000 0.763 223 L CB -1.738 40.261 42.059 -0.101 0.000 0.908 223 L HN 0.387 nan 8.230 nan 0.000 0.437 224 A N -0.164 122.627 122.820 -0.047 0.000 1.930 224 A HA -0.218 4.029 4.320 -0.122 0.000 0.217 224 A C 2.354 179.964 177.584 0.045 0.000 1.175 224 A CA 1.631 53.671 52.037 0.005 0.000 0.627 224 A CB -0.284 18.722 19.000 0.010 0.000 0.815 224 A HN 0.246 nan 8.150 nan 0.000 0.443 225 K N -0.543 119.899 120.400 0.069 0.000 2.026 225 K HA -0.096 4.151 4.320 -0.122 0.000 0.208 225 K C 1.509 178.268 176.600 0.265 0.000 1.048 225 K CA 1.505 57.886 56.287 0.157 0.000 0.929 225 K CB -0.682 31.975 32.500 0.261 0.000 0.713 225 K HN 0.278 nan 8.250 nan 0.000 0.439 226 F N 1.568 121.510 119.950 -0.014 0.000 2.120 226 F HA -0.138 4.315 4.527 -0.122 0.000 0.300 226 F C 2.342 178.136 175.800 -0.010 0.000 1.095 226 F CA 1.699 59.636 58.000 -0.106 0.000 1.249 226 F CB -1.154 37.385 39.000 -0.768 0.000 0.995 226 F HN 0.280 nan 8.300 nan 0.000 0.480 227 E N 0.607 120.881 120.200 0.124 0.000 2.085 227 E HA -0.191 4.086 4.350 -0.122 0.000 0.194 227 E C 2.068 178.826 176.600 0.264 0.000 0.994 227 E CA 1.499 58.051 56.400 0.254 0.000 0.801 227 E CB -0.083 29.713 29.700 0.159 0.000 0.743 227 E HN 0.020 nan 8.360 nan 0.000 0.453 228 K N -0.228 120.271 120.400 0.164 0.000 2.097 228 K HA -0.090 4.157 4.320 -0.122 0.000 0.206 228 K C 1.981 178.630 176.600 0.082 0.000 1.049 228 K CA 1.152 57.501 56.287 0.103 0.000 0.933 228 K CB -0.320 32.207 32.500 0.046 0.000 0.717 228 K HN 0.303 nan 8.250 nan 0.000 0.442 229 M N -0.321 119.337 119.600 0.097 0.000 2.117 229 M HA -0.138 4.269 4.480 -0.122 0.000 0.262 229 M C 2.202 178.591 176.300 0.149 0.000 1.065 229 M CA 1.296 56.594 55.300 -0.003 0.000 1.114 229 M CB -1.225 31.355 32.600 -0.034 0.000 1.361 229 M HN 0.090 nan 8.290 nan 0.000 0.408 230 Y N 1.600 122.082 120.300 0.302 0.000 2.165 230 Y HA -0.276 4.201 4.550 -0.122 0.000 0.286 230 Y C 2.364 178.335 175.900 0.119 0.000 1.155 230 Y CA 1.967 60.254 58.100 0.313 0.000 1.164 230 Y CB -0.230 38.474 38.460 0.407 0.000 0.978 230 Y HN 0.355 nan 8.280 nan 0.000 0.513 231 Q N -0.313 119.624 119.800 0.229 0.000 2.291 231 Q HA -0.107 4.160 4.340 -0.122 0.000 0.205 231 Q C 1.764 177.735 176.000 -0.050 0.000 0.970 231 Q CA 1.149 57.004 55.803 0.087 0.000 0.876 231 Q CB -0.076 28.723 28.738 0.101 0.000 0.935 231 Q HN 0.530 nan 8.270 nan 0.000 0.455 232 L N -1.229 119.935 121.223 -0.098 0.000 2.591 232 L HA 0.150 4.416 4.340 -0.122 0.000 0.228 232 L C 1.147 177.874 176.870 -0.238 0.000 1.133 232 L CA 0.485 55.216 54.840 -0.182 0.000 0.880 232 L CB 0.164 42.074 42.059 -0.248 0.000 1.033 232 L HN 0.405 nan 8.230 nan 0.000 0.450 233 G N -0.597 108.050 108.800 -0.255 0.000 2.201 233 G HA2 -0.227 3.660 3.960 -0.122 0.000 0.212 233 G HA3 -0.227 3.660 3.960 -0.122 0.000 0.212 233 G C 0.254 174.970 174.900 -0.307 0.000 0.994 233 G CA -0.206 44.718 45.100 -0.294 0.000 0.644 233 G HN 0.027 nan 8.290 nan 0.000 0.508 234 V N 2.021 121.768 119.914 -0.279 0.000 2.585 234 V HA 0.349 4.396 4.120 -0.122 0.000 0.296 234 V C 1.369 177.359 176.094 -0.175 0.000 1.035 234 V CA 0.389 62.539 62.300 -0.250 0.000 1.084 234 V CB 1.275 32.928 31.823 -0.282 0.000 0.953 234 V HN 0.345 nan 8.190 nan 0.000 0.483 235 R N 2.058 122.468 120.500 -0.149 0.000 2.509 235 R HA 0.331 4.598 4.340 -0.122 0.000 0.297 235 R C -0.107 176.230 176.300 0.061 0.000 0.951 235 R CA -0.007 56.124 56.100 0.052 0.000 1.103 235 R CB 1.027 31.349 30.300 0.036 0.000 1.283 235 R HN 0.624 nan 8.270 nan 0.000 0.534 236 S N 0.174 115.722 115.700 -0.253 0.000 2.549 236 S HA 0.733 5.130 4.470 -0.122 0.000 0.280 236 S C -1.148 173.113 174.600 -0.565 0.000 1.109 236 S CA -0.434 57.678 58.200 -0.148 0.000 0.905 236 S CB 1.851 65.017 63.200 -0.057 0.000 1.081 236 S HN 0.022 nan 8.310 nan 0.000 0.477 237 F N 0.618 120.550 119.950 -0.031 0.000 2.626 237 F HA 0.830 5.284 4.527 -0.121 0.000 0.311 237 F C 0.065 175.811 175.800 -0.090 0.000 1.088 237 F CA -0.667 57.236 58.000 -0.161 0.000 0.949 237 F CB 1.947 40.677 39.000 -0.450 0.000 1.322 237 F HN 0.729 nan 8.300 nan 0.000 0.461 238 A N 0.843 123.699 122.820 0.059 0.000 2.572 238 A HA 0.877 5.124 4.320 -0.122 0.000 0.295 238 A C -2.094 175.491 177.584 0.002 0.000 1.072 238 A CA -0.770 51.275 52.037 0.013 0.000 0.691 238 A CB 1.745 20.642 19.000 -0.173 0.000 1.291 238 A HN 0.523 nan 8.150 nan 0.000 0.404 239 V N 1.735 121.674 119.914 0.042 0.000 2.483 239 V HA 0.558 4.605 4.120 -0.122 0.000 0.297 239 V C -1.417 174.646 176.094 -0.052 0.000 1.027 239 V CA -0.439 61.781 62.300 -0.133 0.000 0.855 239 V CB 1.186 32.961 31.823 -0.081 0.000 0.995 239 V HN 0.665 nan 8.190 nan 0.000 0.424 240 F N 4.359 124.060 119.950 -0.415 0.000 2.427 240 F HA 0.613 5.066 4.527 -0.122 0.000 0.346 240 F C 0.144 175.553 175.800 -0.652 0.000 1.120 240 F CA -1.696 56.132 58.000 -0.287 0.000 1.033 240 F CB 1.438 40.438 39.000 -0.000 0.000 1.126 240 F HN 0.392 nan 8.300 nan 0.000 0.462 241 F N 1.097 121.066 119.950 0.031 0.000 2.791 241 F HA 0.155 4.609 4.527 -0.121 0.000 0.308 241 F C 0.368 176.147 175.800 -0.034 0.000 1.138 241 F CA -0.923 57.031 58.000 -0.077 0.000 1.294 241 F CB -0.084 38.953 39.000 0.061 0.000 0.975 241 F HN 0.259 nan 8.300 nan 0.000 0.512 242 D N -1.111 119.336 120.400 0.078 0.000 2.304 242 D HA 0.093 4.660 4.640 -0.122 0.000 0.247 242 D C 0.098 176.480 176.300 0.136 0.000 1.089 242 D CA -0.129 53.885 54.000 0.024 0.000 0.910 242 D CB 1.009 41.523 40.800 -0.477 0.000 1.199 242 D HN 0.035 nan 8.370 nan 0.000 0.426 243 D N -0.303 120.171 120.400 0.124 0.000 2.746 243 D HA -0.154 4.413 4.640 -0.122 0.000 0.236 243 D C -0.008 176.356 176.300 0.107 0.000 1.129 243 D CA 0.691 54.741 54.000 0.084 0.000 0.691 243 D CB -1.630 39.210 40.800 0.067 0.000 1.077 243 D HN 0.666 nan 8.370 nan 0.000 0.432 244 I N -4.533 116.092 120.570 0.092 0.000 3.002 244 I HA 0.768 4.865 4.170 -0.122 0.000 0.310 244 I C -0.315 175.837 176.117 0.059 0.000 1.087 244 I CA -0.927 60.422 61.300 0.082 0.000 1.017 244 I CB 2.596 40.643 38.000 0.079 0.000 1.226 244 I HN -0.107 nan 8.210 nan 0.000 0.443 245 S N 1.408 117.140 115.700 0.054 0.000 2.548 245 S HA 0.922 5.319 4.470 -0.122 0.000 0.286 245 S C -0.186 174.448 174.600 0.055 0.000 1.098 245 S CA 0.400 58.630 58.200 0.050 0.000 0.930 245 S CB 1.322 64.546 63.200 0.040 0.000 1.070 245 S HN 1.759 nan 8.310 nan 0.000 0.480 246 G N 3.374 112.212 108.800 0.063 0.000 2.451 246 G HA2 -0.138 3.749 3.960 -0.122 0.000 0.208 246 G HA3 -0.138 3.749 3.960 -0.122 0.000 0.208 246 G C 0.221 175.184 174.900 0.105 0.000 1.248 246 G CA 0.163 45.304 45.100 0.068 0.000 0.989 246 G HN 0.588 nan 8.290 nan 0.000 0.559 247 E N 0.701 120.966 120.200 0.107 0.000 2.153 247 E HA -0.088 4.189 4.350 -0.122 0.000 0.194 247 E C 2.619 179.433 176.600 0.358 0.000 0.988 247 E CA 1.587 58.112 56.400 0.208 0.000 0.811 247 E CB -0.764 29.028 29.700 0.154 0.000 0.746 247 E HN 0.894 nan 8.360 nan 0.000 0.466 248 G N 1.388 110.279 108.800 0.153 0.000 2.535 248 G HA2 -0.238 3.649 3.960 -0.122 0.000 0.218 248 G HA3 -0.238 3.649 3.960 -0.122 0.000 0.218 248 G C 1.621 176.720 174.900 0.332 0.000 1.122 248 G CA 1.447 46.662 45.100 0.192 0.000 0.769 248 G HN 0.399 nan 8.290 nan 0.000 0.549 249 T N -1.912 112.788 114.554 0.243 0.000 3.148 249 T HA 0.076 4.353 4.350 -0.122 0.000 0.253 249 T C 0.998 175.818 174.700 0.199 0.000 1.134 249 T CA -0.285 61.923 62.100 0.180 0.000 1.051 249 T CB -0.117 68.819 68.868 0.113 0.000 0.959 249 T HN 0.133 nan 8.240 nan 0.000 0.525 250 N N 3.285 122.090 118.700 0.173 0.000 2.431 250 N HA 0.107 4.774 4.740 -0.122 0.000 0.265 250 N C -1.494 173.909 175.510 -0.178 0.000 1.184 250 N CA -1.866 51.183 53.050 -0.002 0.000 0.943 250 N CB 1.756 40.181 38.487 -0.103 0.000 1.080 250 N HN 0.128 nan 8.380 nan 0.000 0.477 251 P HA -0.120 nan 4.420 nan 0.000 0.220 251 P C 1.021 178.093 177.300 -0.380 0.000 1.152 251 P CA 0.915 63.776 63.100 -0.399 0.000 0.812 251 P CB 0.534 31.839 31.700 -0.658 0.000 0.792 252 Q N 1.002 120.607 119.800 -0.325 0.000 2.050 252 Q HA -0.147 4.120 4.340 -0.122 0.000 0.202 252 Q C 2.214 177.970 176.000 -0.407 0.000 0.980 252 Q CA 1.895 57.515 55.803 -0.305 0.000 0.840 252 Q CB -0.599 27.994 28.738 -0.243 0.000 0.898 252 Q HN -0.012 nan 8.270 nan 0.000 0.424 253 K N 0.145 120.165 120.400 -0.633 0.000 2.097 253 K HA -0.129 4.118 4.320 -0.122 0.000 0.205 253 K C 2.177 178.224 176.600 -0.922 0.000 1.050 253 K CA 1.472 57.143 56.287 -1.028 0.000 0.938 253 K CB -0.183 31.059 32.500 -2.097 0.000 0.718 253 K HN 0.461 nan 8.250 nan 0.000 0.442 254 Q N 0.236 119.583 119.800 -0.754 0.000 2.061 254 Q HA -0.123 4.144 4.340 -0.122 0.000 0.204 254 Q C 2.174 178.044 176.000 -0.216 0.000 0.984 254 Q CA 1.740 57.254 55.803 -0.483 0.000 0.846 254 Q CB -0.242 28.084 28.738 -0.687 0.000 0.902 254 Q HN 0.342 nan 8.270 nan 0.000 0.421 255 A N 1.091 123.772 122.820 -0.232 0.000 1.898 255 A HA -0.226 4.021 4.320 -0.122 0.000 0.216 255 A C 1.824 179.367 177.584 -0.068 0.000 1.181 255 A CA 1.483 53.450 52.037 -0.116 0.000 0.620 255 A CB -0.421 18.495 19.000 -0.140 0.000 0.819 255 A HN 0.335 nan 8.150 nan 0.000 0.442 256 E N -0.752 119.370 120.200 -0.129 0.000 2.085 256 E HA -0.211 4.066 4.350 -0.122 0.000 0.194 256 E C 1.944 178.561 176.600 0.027 0.000 0.994 256 E CA 1.318 57.678 56.400 -0.067 0.000 0.801 256 E CB -0.259 29.359 29.700 -0.136 0.000 0.743 256 E HN 0.536 nan 8.360 nan 0.000 0.453 257 L N 0.767 122.002 121.223 0.019 0.000 2.017 257 L HA -0.175 4.092 4.340 -0.122 0.000 0.208 257 L C 2.040 179.032 176.870 0.203 0.000 1.073 257 L CA 1.496 56.421 54.840 0.142 0.000 0.745 257 L CB -0.294 41.921 42.059 0.261 0.000 0.894 257 L HN 0.145 nan 8.230 nan 0.000 0.432 258 L N -0.061 121.272 121.223 0.184 0.000 2.083 258 L HA -0.178 4.089 4.340 -0.122 0.000 0.209 258 L C 2.301 179.275 176.870 0.174 0.000 1.083 258 L CA 1.415 56.376 54.840 0.201 0.000 0.752 258 L CB -1.620 40.557 42.059 0.198 0.000 0.899 258 L HN 0.433 nan 8.230 nan 0.000 0.433 259 N N -0.761 118.021 118.700 0.135 0.000 2.188 259 N HA -0.229 4.437 4.740 -0.122 0.000 0.184 259 N C 1.770 177.365 175.510 0.142 0.000 1.018 259 N CA 0.975 54.093 53.050 0.114 0.000 0.858 259 N CB -0.438 38.093 38.487 0.074 0.000 0.989 259 N HN 0.343 nan 8.380 nan 0.000 0.426 260 Y N 1.480 121.812 120.300 0.053 0.000 2.163 260 Y HA -0.051 4.426 4.550 -0.122 0.000 0.288 260 Y C 2.144 178.093 175.900 0.081 0.000 1.136 260 Y CA 1.294 59.427 58.100 0.055 0.000 1.147 260 Y CB -0.276 38.210 38.460 0.043 0.000 0.987 260 Y HN -0.058 nan 8.280 nan 0.000 0.509 261 I N 0.133 120.856 120.570 0.254 0.000 2.163 261 I HA -0.334 3.763 4.170 -0.122 0.000 0.243 261 I C 2.226 178.458 176.117 0.191 0.000 1.085 261 I CA 1.845 63.270 61.300 0.207 0.000 1.347 261 I CB -0.527 37.624 38.000 0.253 0.000 1.044 261 I HN 0.271 nan 8.210 nan 0.000 0.408 262 D N 1.024 121.519 120.400 0.158 0.000 2.087 262 D HA -0.222 4.345 4.640 -0.122 0.000 0.192 262 D C 2.078 178.407 176.300 0.049 0.000 0.993 262 D CA 1.765 55.837 54.000 0.120 0.000 0.828 262 D CB -0.008 40.855 40.800 0.105 0.000 0.968 262 D HN 0.346 nan 8.370 nan 0.000 0.448 263 E N -0.819 119.377 120.200 -0.006 0.000 2.107 263 E HA -0.099 4.178 4.350 -0.122 0.000 0.191 263 E C 1.759 178.289 176.600 -0.118 0.000 0.982 263 E CA 0.819 57.184 56.400 -0.060 0.000 0.809 263 E CB 0.131 29.793 29.700 -0.063 0.000 0.756 263 E HN 0.051 nan 8.360 nan 0.000 0.459 264 K N -1.146 119.130 120.400 -0.208 0.000 2.393 264 K HA 0.122 4.369 4.320 -0.122 0.000 0.193 264 K C 0.512 177.103 176.600 -0.015 0.000 1.026 264 K CA 0.250 56.401 56.287 -0.228 0.000 1.064 264 K CB 0.367 32.514 32.500 -0.589 0.000 0.833 264 K HN 0.071 nan 8.250 nan 0.000 0.521 265 F N -1.505 118.358 119.950 -0.145 0.000 1.868 265 F HA 0.300 4.754 4.527 -0.122 0.000 0.245 265 F C 1.492 177.230 175.800 -0.103 0.000 1.114 265 F CA 0.361 58.284 58.000 -0.129 0.000 1.261 265 F CB -0.345 38.600 39.000 -0.092 0.000 1.620 265 F HN -0.165 nan 8.300 nan 0.000 0.567 266 A N 0.049 122.858 122.820 -0.018 0.000 2.015 266 A HA -0.070 4.177 4.320 -0.122 0.000 0.219 266 A C 1.559 179.104 177.584 -0.065 0.000 1.163 266 A CA 1.471 53.469 52.037 -0.066 0.000 0.646 266 A CB -0.458 18.604 19.000 0.103 0.000 0.806 266 A HN 0.525 nan 8.150 nan 0.000 0.448 267 Q N -0.909 118.862 119.800 -0.048 0.000 2.280 267 Q HA 0.216 4.482 4.340 -0.122 0.000 0.201 267 Q C 1.359 177.318 176.000 -0.068 0.000 0.890 267 Q CA 0.377 56.157 55.803 -0.040 0.000 0.947 267 Q CB 0.573 29.302 28.738 -0.016 0.000 1.081 267 Q HN 0.486 nan 8.270 nan 0.000 0.502 268 V N -0.221 119.621 119.914 -0.120 0.000 3.151 268 V HA 0.052 4.099 4.120 -0.122 0.000 0.241 268 V C 0.619 176.608 176.094 -0.175 0.000 1.173 268 V CA 0.473 62.696 62.300 -0.128 0.000 1.154 268 V CB 0.348 32.100 31.823 -0.119 0.000 0.898 268 V HN 0.058 nan 8.190 nan 0.000 0.473 269 K N 1.922 122.147 120.400 -0.291 0.000 2.319 269 K HA 0.192 4.439 4.320 -0.122 0.000 0.265 269 K C -1.548 174.993 176.600 -0.099 0.000 1.000 269 K CA -1.889 54.236 56.287 -0.270 0.000 0.943 269 K CB 0.163 32.392 32.500 -0.451 0.000 0.950 269 K HN 0.086 nan 8.250 nan 0.000 0.485 270 P HA -0.053 nan 4.420 nan 0.000 0.233 270 P C -0.240 177.086 177.300 0.044 0.000 1.167 270 P CA 0.944 64.053 63.100 0.016 0.000 0.770 270 P CB 0.342 32.062 31.700 0.033 0.000 0.837 271 D N -1.651 118.796 120.400 0.077 0.000 2.740 271 D HA 0.118 4.685 4.640 -0.122 0.000 0.305 271 D C -0.062 176.319 176.300 0.135 0.000 1.583 271 D CA -0.420 53.640 54.000 0.101 0.000 0.790 271 D CB -0.942 39.916 40.800 0.097 0.000 1.187 271 D HN 0.119 nan 8.370 nan 0.000 0.447 272 I N 1.039 121.684 120.570 0.125 0.000 2.395 272 I HA 0.215 4.312 4.170 -0.122 0.000 0.289 272 I C 0.788 176.997 176.117 0.152 0.000 1.023 272 I CA -0.308 61.096 61.300 0.174 0.000 1.350 272 I CB 1.063 39.151 38.000 0.147 0.000 1.409 272 I HN -0.082 nan 8.210 nan 0.000 0.507 273 N N 4.016 122.813 118.700 0.163 0.000 2.358 273 N HA 0.054 4.721 4.740 -0.122 0.000 0.209 273 N C -0.336 175.259 175.510 0.142 0.000 1.033 273 N CA 0.043 53.184 53.050 0.152 0.000 1.021 273 N CB 0.054 38.630 38.487 0.149 0.000 1.244 273 N HN 0.562 nan 8.380 nan 0.000 0.523 274 Q N 0.577 120.429 119.800 0.086 0.000 2.243 274 Q HA 0.468 4.735 4.340 -0.122 0.000 0.252 274 Q C -1.431 174.618 176.000 0.081 0.000 0.909 274 Q CA -0.508 55.297 55.803 0.004 0.000 0.922 274 Q CB 2.221 30.847 28.738 -0.186 0.000 1.215 274 Q HN 0.183 nan 8.270 nan 0.000 0.427 275 L N 3.079 124.356 121.223 0.090 0.000 2.372 275 L HA 0.528 4.795 4.340 -0.122 0.000 0.274 275 L C -1.558 175.360 176.870 0.079 0.000 0.988 275 L CA -0.586 54.342 54.840 0.147 0.000 0.833 275 L CB 1.869 44.049 42.059 0.201 0.000 1.236 275 L HN 0.421 nan 8.230 nan 0.000 0.410 276 V N 5.554 125.500 119.914 0.054 0.000 2.789 276 V HA 0.680 4.727 4.120 -0.122 0.000 0.311 276 V C -0.256 175.909 176.094 0.117 0.000 1.073 276 V CA -0.588 61.700 62.300 -0.020 0.000 0.921 276 V CB 1.958 33.638 31.823 -0.239 0.000 1.009 276 V HN 0.882 nan 8.190 nan 0.000 0.426 277 M N 3.279 122.975 119.600 0.160 0.000 2.530 277 M HA 0.750 5.157 4.480 -0.122 0.000 0.307 277 M C -0.910 175.568 176.300 0.296 0.000 1.161 277 M CA -0.185 55.283 55.300 0.281 0.000 0.903 277 M CB 1.607 34.401 32.600 0.324 0.000 1.711 277 M HN 0.509 nan 8.290 nan 0.000 0.451 278 C N 5.112 124.631 119.300 0.364 0.000 2.273 278 C HA 0.804 5.190 4.460 -0.122 0.000 0.328 278 C C -2.185 172.982 174.990 0.294 0.000 1.275 278 C CA -1.380 57.748 59.018 0.185 0.000 1.704 278 C CB 0.683 28.293 27.740 -0.217 0.000 2.326 278 C HN 0.765 nan 8.230 nan 0.000 0.517 279 P HA 0.190 nan 4.420 nan 0.000 0.274 279 P C 0.601 178.105 177.300 0.340 0.000 1.237 279 P CA 0.210 63.577 63.100 0.445 0.000 0.793 279 P CB 0.732 32.763 31.700 0.551 0.000 0.977 280 T N -0.104 114.588 114.554 0.230 0.000 2.746 280 T HA -0.111 4.166 4.350 -0.122 0.000 0.267 280 T C 0.489 175.092 174.700 -0.162 0.000 1.039 280 T CA 1.447 63.548 62.100 0.000 0.000 1.142 280 T CB -0.348 68.428 68.868 -0.154 0.000 0.866 280 T HN 0.518 nan 8.240 nan 0.000 0.444 281 E N 1.383 121.343 120.200 -0.401 0.000 2.001 281 E HA 0.177 4.454 4.350 -0.122 0.000 0.279 281 E C -0.467 176.160 176.600 0.045 0.000 1.045 281 E CA -0.281 55.976 56.400 -0.238 0.000 0.833 281 E CB 0.427 30.043 29.700 -0.140 0.000 1.077 281 E HN 0.691 nan 8.360 nan 0.000 0.397 282 Y N 1.527 121.745 120.300 -0.137 0.000 2.557 282 Y HA 0.278 4.755 4.550 -0.122 0.000 0.247 282 Y C -0.267 174.992 175.900 -1.069 0.000 1.164 282 Y CA -1.084 56.843 58.100 -0.289 0.000 1.218 282 Y CB -0.087 38.160 38.460 -0.355 0.000 1.210 282 Y HN 0.308 nan 8.280 nan 0.000 0.529 283 N N -1.381 116.582 118.700 -1.228 0.000 2.494 283 N HA 0.203 4.870 4.740 -0.122 0.000 0.270 283 N C 0.039 175.215 175.510 -0.557 0.000 1.285 283 N CA -1.100 51.171 53.050 -1.299 0.000 0.812 283 N CB 1.712 39.769 38.487 -0.717 0.000 1.557 283 N HN -0.015 nan 8.380 nan 0.000 0.487 284 K N 0.026 120.273 120.400 -0.255 0.000 2.057 284 K HA -0.141 4.106 4.320 -0.122 0.000 0.206 284 K C 1.522 177.998 176.600 -0.207 0.000 1.050 284 K CA 1.868 58.055 56.287 -0.167 0.000 0.935 284 K CB -0.248 31.961 32.500 -0.485 0.000 0.715 284 K HN 0.661 nan 8.250 nan 0.000 0.439 285 S N -0.808 114.775 115.700 -0.195 0.000 2.447 285 S HA -0.128 4.269 4.470 -0.122 0.000 0.233 285 S C 1.065 175.484 174.600 -0.301 0.000 1.006 285 S CA 0.445 58.517 58.200 -0.214 0.000 0.957 285 S CB -0.324 62.779 63.200 -0.161 0.000 0.773 285 S HN 0.484 nan 8.310 nan 0.000 0.507 286 W N 2.201 123.345 121.300 -0.260 0.000 3.223 286 W HA 0.544 5.132 4.660 -0.121 0.000 0.389 286 W C 0.669 177.074 176.519 -0.190 0.000 1.118 286 W CA -0.656 56.538 57.345 -0.253 0.000 1.902 286 W CB -0.093 29.142 29.460 -0.375 0.000 1.094 286 W HN 0.168 nan 8.180 nan 0.000 0.666 287 S N 1.722 117.442 115.700 0.032 0.000 2.499 287 S HA 0.161 4.557 4.470 -0.122 0.000 0.279 287 S C -0.010 174.643 174.600 0.088 0.000 1.219 287 S CA -0.637 57.644 58.200 0.135 0.000 1.062 287 S CB 0.270 63.691 63.200 0.368 0.000 0.978 287 S HN 0.101 nan 8.310 nan 0.000 0.489 288 N N 5.601 124.352 118.700 0.085 0.000 2.416 288 N HA 0.201 4.867 4.740 -0.122 0.000 0.265 288 N C -1.273 174.301 175.510 0.107 0.000 1.195 288 N CA -1.901 51.186 53.050 0.062 0.000 0.943 288 N CB 1.118 39.638 38.487 0.055 0.000 1.115 288 N HN 0.425 nan 8.380 nan 0.000 0.481 289 P HA -0.035 nan 4.420 nan 0.000 0.230 289 P C -0.357 176.994 177.300 0.084 0.000 1.158 289 P CA 1.007 64.181 63.100 0.124 0.000 0.769 289 P CB 0.311 32.069 31.700 0.097 0.000 0.807 290 N N -0.619 118.116 118.700 0.058 0.000 2.203 290 N HA 0.179 4.846 4.740 -0.122 0.000 0.207 290 N C 0.973 176.510 175.510 0.044 0.000 1.130 290 N CA -0.239 52.836 53.050 0.042 0.000 0.861 290 N CB 0.444 38.947 38.487 0.026 0.000 1.005 290 N HN 0.101 nan 8.380 nan 0.000 0.507 291 G N 0.558 109.397 108.800 0.065 0.000 2.552 291 G HA2 0.188 4.075 3.960 -0.122 0.000 0.318 291 G HA3 0.188 4.075 3.960 -0.122 0.000 0.318 291 G C 0.188 175.131 174.900 0.072 0.000 1.240 291 G CA -0.499 44.645 45.100 0.074 0.000 1.002 291 G HN 0.285 nan 8.290 nan 0.000 0.493 292 N N -1.704 117.039 118.700 0.071 0.000 2.299 292 N HA -0.002 4.665 4.740 -0.122 0.000 0.246 292 N C 0.639 176.171 175.510 0.036 0.000 1.254 292 N CA -0.600 52.470 53.050 0.033 0.000 0.879 292 N CB -0.267 38.214 38.487 -0.009 0.000 1.214 292 N HN 0.544 nan 8.380 nan 0.000 0.510 293 Y N 1.450 121.753 120.300 0.006 0.000 2.053 293 Y HA -0.082 4.395 4.550 -0.122 0.000 0.277 293 Y C 1.643 177.544 175.900 0.002 0.000 1.159 293 Y CA 1.887 59.992 58.100 0.009 0.000 1.125 293 Y CB -0.056 38.430 38.460 0.044 0.000 0.969 293 Y HN 0.089 nan 8.280 nan 0.000 0.492 294 L N -0.499 120.818 121.223 0.156 0.000 2.109 294 L HA -0.172 4.094 4.340 -0.122 0.000 0.207 294 L C 2.616 179.422 176.870 -0.105 0.000 1.086 294 L CA 1.697 56.571 54.840 0.057 0.000 0.760 294 L CB -0.944 41.179 42.059 0.106 0.000 0.910 294 L HN 0.417 nan 8.230 nan 0.000 0.437 295 T N -4.434 110.056 114.554 -0.107 0.000 2.788 295 T HA -0.168 4.109 4.350 -0.122 0.000 0.268 295 T C 1.808 176.428 174.700 -0.134 0.000 1.044 295 T CA 1.656 63.680 62.100 -0.126 0.000 1.139 295 T CB -0.720 68.082 68.868 -0.111 0.000 0.867 295 T HN 0.187 nan 8.240 nan 0.000 0.454 296 T N 2.683 117.141 114.554 -0.160 0.000 2.652 296 T HA 0.039 4.316 4.350 -0.122 0.000 0.267 296 T C 1.930 176.504 174.700 -0.209 0.000 1.039 296 T CA 1.410 63.398 62.100 -0.186 0.000 1.153 296 T CB -0.607 68.131 68.868 -0.216 0.000 0.863 296 T HN 0.285 nan 8.240 nan 0.000 0.428 297 L N 0.627 121.679 121.223 -0.285 0.000 2.013 297 L HA -0.106 4.161 4.340 -0.122 0.000 0.212 297 L C 3.050 179.846 176.870 -0.123 0.000 1.073 297 L CA 1.660 56.368 54.840 -0.219 0.000 0.753 297 L CB -1.219 40.704 42.059 -0.227 0.000 0.890 297 L HN 0.400 nan 8.230 nan 0.000 0.432 298 G N -0.529 108.202 108.800 -0.115 0.000 2.418 298 G HA2 -0.252 3.635 3.960 -0.122 0.000 0.217 298 G HA3 -0.252 3.635 3.960 -0.122 0.000 0.217 298 G C 1.139 175.996 174.900 -0.072 0.000 1.158 298 G CA 0.942 45.991 45.100 -0.085 0.000 0.771 298 G HN 0.320 nan 8.290 nan 0.000 0.545 299 D N 0.050 120.399 120.400 -0.084 0.000 2.162 299 D HA 0.030 4.597 4.640 -0.122 0.000 0.203 299 D C 2.421 178.684 176.300 -0.063 0.000 0.967 299 D CA 0.696 54.654 54.000 -0.070 0.000 0.840 299 D CB 0.066 40.820 40.800 -0.076 0.000 0.972 299 D HN 0.200 nan 8.370 nan 0.000 0.482 300 K N -0.061 120.293 120.400 -0.078 0.000 2.308 300 K HA 0.151 4.398 4.320 -0.122 0.000 0.197 300 K C 0.934 177.506 176.600 -0.048 0.000 1.049 300 K CA -0.164 56.081 56.287 -0.070 0.000 0.991 300 K CB 0.700 33.139 32.500 -0.100 0.000 0.836 300 K HN 0.157 nan 8.250 nan 0.000 0.500 301 L N 3.336 124.534 121.223 -0.043 0.000 2.455 301 L HA 0.021 4.288 4.340 -0.122 0.000 0.272 301 L C -0.010 176.868 176.870 0.014 0.000 1.174 301 L CA -0.145 54.691 54.840 -0.007 0.000 0.869 301 L CB 0.270 42.333 42.059 0.007 0.000 1.130 301 L HN 0.119 nan 8.230 nan 0.000 0.474 302 N N 5.908 124.627 118.700 0.032 0.000 2.353 302 N HA -0.035 4.632 4.740 -0.122 0.000 0.248 302 N C -1.582 173.958 175.510 0.049 0.000 1.240 302 N CA -0.968 52.106 53.050 0.040 0.000 0.862 302 N CB 0.371 38.890 38.487 0.052 0.000 1.086 302 N HN 0.369 nan 8.380 nan 0.000 0.453 303 P HA -0.058 nan 4.420 nan 0.000 0.226 303 P C 0.779 178.124 177.300 0.076 0.000 1.153 303 P CA 0.925 64.056 63.100 0.050 0.000 0.777 303 P CB 0.103 31.826 31.700 0.037 0.000 0.794 304 S N -1.356 114.394 115.700 0.084 0.000 2.562 304 S HA 0.068 4.465 4.470 -0.122 0.000 0.221 304 S C 0.834 175.510 174.600 0.127 0.000 0.975 304 S CA -0.140 58.126 58.200 0.109 0.000 0.918 304 S CB -1.027 62.234 63.200 0.103 0.000 0.772 304 S HN 0.037 nan 8.310 nan 0.000 0.531 305 I N 2.755 123.394 120.570 0.115 0.000 2.395 305 I HA 0.239 4.336 4.170 -0.122 0.000 0.289 305 I C 0.077 176.271 176.117 0.130 0.000 1.023 305 I CA -0.654 60.720 61.300 0.123 0.000 1.350 305 I CB 0.872 38.945 38.000 0.121 0.000 1.409 305 I HN 0.118 nan 8.210 nan 0.000 0.507 306 Q N 6.255 126.129 119.800 0.124 0.000 2.299 306 Q HA 0.538 4.805 4.340 -0.122 0.000 0.246 306 Q C -0.551 175.527 176.000 0.131 0.000 0.935 306 Q CA -0.256 55.637 55.803 0.150 0.000 0.887 306 Q CB 2.201 31.015 28.738 0.126 0.000 1.223 306 Q HN 0.531 nan 8.270 nan 0.000 0.439 307 I N 2.421 123.103 120.570 0.187 0.000 2.418 307 I HA 0.307 4.404 4.170 -0.122 0.000 0.287 307 I C 0.099 176.390 176.117 0.290 0.000 1.008 307 I CA -0.461 60.965 61.300 0.210 0.000 1.104 307 I CB 1.300 39.410 38.000 0.183 0.000 1.264 307 I HN 0.350 nan 8.210 nan 0.000 0.438 308 M N 5.235 125.009 119.600 0.290 0.000 2.227 308 M HA 0.334 4.741 4.480 -0.122 0.000 0.316 308 M C -0.768 175.840 176.300 0.513 0.000 1.144 308 M CA 0.147 55.673 55.300 0.377 0.000 1.121 308 M CB 1.530 34.305 32.600 0.292 0.000 1.440 308 M HN 0.583 nan 8.290 nan 0.000 0.473 309 W N 0.749 122.180 121.300 0.219 0.000 3.800 309 W HA 0.170 4.757 4.660 -0.121 0.000 0.299 309 W C -0.335 176.287 176.519 0.172 0.000 1.231 309 W CA -0.578 56.883 57.345 0.193 0.000 1.232 309 W CB 1.724 31.309 29.460 0.208 0.000 1.291 309 W HN 0.814 nan 8.180 nan 0.000 0.514 310 T N 1.161 115.501 114.554 -0.358 0.000 3.086 310 T HA 0.478 4.755 4.350 -0.122 0.000 0.250 310 T C 0.794 175.358 174.700 -0.227 0.000 1.074 310 T CA 1.051 63.016 62.100 -0.225 0.000 0.988 310 T CB 0.623 69.322 68.868 -0.283 0.000 0.988 310 T HN 1.266 nan 8.240 nan 0.000 0.530 311 G N 1.214 109.707 108.800 -0.512 0.000 2.378 311 G HA2 -0.150 3.737 3.960 -0.122 0.000 0.198 311 G HA3 -0.150 3.737 3.960 -0.122 0.000 0.198 311 G C -0.308 174.518 174.900 -0.124 0.000 1.223 311 G CA 0.029 45.101 45.100 -0.048 0.000 1.088 311 G HN 0.158 nan 8.290 nan 0.000 0.530 312 D N 1.073 121.486 120.400 0.023 0.000 2.269 312 D HA 0.101 4.668 4.640 -0.122 0.000 0.208 312 D C 1.441 177.668 176.300 -0.121 0.000 0.963 312 D CA 1.139 55.118 54.000 -0.036 0.000 0.864 312 D CB 0.173 40.969 40.800 -0.007 0.000 0.936 312 D HN 0.406 nan 8.370 nan 0.000 0.505 313 R N -0.997 119.429 120.500 -0.122 0.000 2.817 313 R HA 0.309 4.576 4.340 -0.122 0.000 0.268 313 R C 1.146 177.336 176.300 -0.183 0.000 1.027 313 R CA -0.748 55.294 56.100 -0.097 0.000 0.928 313 R CB 1.663 31.954 30.300 -0.014 0.000 1.228 313 R HN -0.286 nan 8.270 nan 0.000 0.469 314 V N 1.153 120.956 119.914 -0.185 0.000 2.250 314 V HA -0.186 3.861 4.120 -0.122 0.000 0.250 314 V C 1.080 176.938 176.094 -0.394 0.000 1.060 314 V CA 1.691 63.800 62.300 -0.319 0.000 1.030 314 V CB -0.220 31.310 31.823 -0.490 0.000 0.643 314 V HN 0.473 nan 8.190 nan 0.000 0.445 315 I N 0.962 121.284 120.570 -0.413 0.000 2.355 315 I HA 0.540 4.637 4.170 -0.122 0.000 0.288 315 I C -0.128 175.834 176.117 -0.258 0.000 0.999 315 I CA 0.344 61.361 61.300 -0.471 0.000 1.163 315 I CB 0.738 38.363 38.000 -0.625 0.000 1.316 315 I HN 0.427 nan 8.210 nan 0.000 0.454 316 S N 4.504 120.119 115.700 -0.141 0.000 2.611 316 S HA 0.590 4.987 4.470 -0.122 0.000 0.268 316 S C -1.413 173.419 174.600 0.387 0.000 1.156 316 S CA -0.997 57.300 58.200 0.162 0.000 0.817 316 S CB 2.650 65.917 63.200 0.113 0.000 1.122 316 S HN 0.399 nan 8.310 nan 0.000 0.466 317 D N 0.783 121.428 120.400 0.407 0.000 2.277 317 D HA 0.504 5.071 4.640 -0.122 0.000 0.250 317 D C -0.233 176.188 176.300 0.202 0.000 1.032 317 D CA -0.409 53.804 54.000 0.355 0.000 0.947 317 D CB 0.791 41.728 40.800 0.228 0.000 1.159 317 D HN 0.486 nan 8.370 nan 0.000 0.460 318 I N 1.395 122.039 120.570 0.123 0.000 2.331 318 I HA 0.174 4.271 4.170 -0.122 0.000 0.292 318 I C 1.010 177.211 176.117 0.141 0.000 0.998 318 I CA -0.444 60.962 61.300 0.176 0.000 1.267 318 I CB 0.392 38.536 38.000 0.239 0.000 1.386 318 I HN 0.305 nan 8.210 nan 0.000 0.476 319 T N 2.655 117.302 114.554 0.155 0.000 2.950 319 T HA 0.449 4.726 4.350 -0.122 0.000 0.288 319 T C 1.083 175.863 174.700 0.133 0.000 1.035 319 T CA -0.764 61.412 62.100 0.126 0.000 1.028 319 T CB 2.208 71.143 68.868 0.112 0.000 1.109 319 T HN 0.633 nan 8.240 nan 0.000 0.514 320 R N 0.171 120.735 120.500 0.108 0.000 2.091 320 R HA -0.131 4.136 4.340 -0.122 0.000 0.238 320 R C 1.269 177.637 176.300 0.113 0.000 1.136 320 R CA 2.057 58.217 56.100 0.100 0.000 0.959 320 R CB -0.532 29.814 30.300 0.077 0.000 0.856 320 R HN 0.709 nan 8.270 nan 0.000 0.437 321 D N -0.767 119.701 120.400 0.114 0.000 2.144 321 D HA -0.063 4.504 4.640 -0.122 0.000 0.200 321 D C 1.687 178.096 176.300 0.182 0.000 0.978 321 D CA 1.458 55.536 54.000 0.131 0.000 0.833 321 D CB -0.450 40.414 40.800 0.107 0.000 0.961 321 D HN 0.493 nan 8.370 nan 0.000 0.470 322 G N 0.623 109.532 108.800 0.182 0.000 2.404 322 G HA2 -0.225 3.662 3.960 -0.122 0.000 0.215 322 G HA3 -0.225 3.662 3.960 -0.122 0.000 0.215 322 G C 1.658 176.739 174.900 0.302 0.000 1.174 322 G CA 0.335 45.583 45.100 0.247 0.000 0.780 322 G HN 0.249 nan 8.290 nan 0.000 0.537 323 I N 1.138 121.847 120.570 0.231 0.000 2.315 323 I HA -0.076 4.021 4.170 -0.122 0.000 0.248 323 I C 2.869 179.055 176.117 0.115 0.000 1.117 323 I CA 1.272 62.679 61.300 0.178 0.000 1.404 323 I CB -0.140 37.956 38.000 0.161 0.000 1.071 323 I HN 0.098 nan 8.210 nan 0.000 0.419 324 S N -0.236 115.541 115.700 0.128 0.000 2.353 324 S HA -0.295 4.102 4.470 -0.122 0.000 0.222 324 S C 1.647 176.305 174.600 0.096 0.000 1.035 324 S CA 1.912 60.168 58.200 0.093 0.000 1.025 324 S CB -0.907 62.355 63.200 0.102 0.000 0.902 324 S HN 0.714 nan 8.310 nan 0.000 0.440 325 W N 1.713 123.007 121.300 -0.010 0.000 2.335 325 W HA -0.178 4.409 4.660 -0.122 0.000 0.311 325 W C 2.036 178.480 176.519 -0.126 0.000 1.213 325 W CA 1.323 58.653 57.345 -0.026 0.000 1.274 325 W CB -0.457 29.026 29.460 0.038 0.000 1.148 325 W HN 0.255 nan 8.180 nan 0.000 0.498 326 I N 1.459 122.077 120.570 0.081 0.000 2.202 326 I HA -0.288 3.809 4.170 -0.122 0.000 0.242 326 I C 1.895 177.793 176.117 -0.363 0.000 1.091 326 I CA 1.966 63.030 61.300 -0.393 0.000 1.368 326 I CB -0.955 36.423 38.000 -1.037 0.000 1.058 326 I HN -0.065 nan 8.210 nan 0.000 0.410 327 N N 0.729 119.308 118.700 -0.201 0.000 2.166 327 N HA -0.238 4.429 4.740 -0.122 0.000 0.186 327 N C 1.843 177.261 175.510 -0.154 0.000 1.019 327 N CA 1.421 54.389 53.050 -0.137 0.000 0.856 327 N CB -0.387 38.066 38.487 -0.056 0.000 0.993 327 N HN 0.541 nan 8.380 nan 0.000 0.426 328 E N 0.412 120.502 120.200 -0.182 0.000 2.160 328 E HA -0.141 4.136 4.350 -0.122 0.000 0.195 328 E C 1.717 178.172 176.600 -0.241 0.000 0.991 328 E CA 1.028 57.311 56.400 -0.195 0.000 0.810 328 E CB 0.177 29.742 29.700 -0.226 0.000 0.742 328 E HN 0.299 nan 8.360 nan 0.000 0.466 329 R N -0.292 120.009 120.500 -0.331 0.000 2.105 329 R HA 0.089 4.356 4.340 -0.122 0.000 0.214 329 R C 2.432 178.600 176.300 -0.220 0.000 1.091 329 R CA 1.078 56.982 56.100 -0.326 0.000 1.007 329 R CB -0.036 29.969 30.300 -0.490 0.000 0.912 329 R HN 0.321 nan 8.270 nan 0.000 0.450 330 I N -1.603 118.844 120.570 -0.204 0.000 3.578 330 I HA 0.147 4.244 4.170 -0.122 0.000 0.295 330 I C -0.355 175.712 176.117 -0.084 0.000 1.280 330 I CA -0.018 61.206 61.300 -0.127 0.000 1.347 330 I CB 0.353 38.291 38.000 -0.103 0.000 1.051 330 I HN -0.112 nan 8.210 nan 0.000 0.460 331 K N 2.233 122.577 120.400 -0.093 0.000 3.129 331 K HA -0.188 4.059 4.320 -0.122 0.000 0.273 331 K C -0.261 176.322 176.600 -0.028 0.000 1.123 331 K CA 1.183 57.433 56.287 -0.062 0.000 0.800 331 K CB -1.973 30.493 32.500 -0.056 0.000 1.238 331 K HN 0.917 nan 8.250 nan 0.000 0.492 332 R N -2.720 117.768 120.500 -0.021 0.000 2.741 332 R HA 0.485 4.752 4.340 -0.122 0.000 0.276 332 R C -3.355 172.960 176.300 0.026 0.000 1.028 332 R CA -1.822 54.288 56.100 0.017 0.000 0.865 332 R CB 1.127 31.455 30.300 0.046 0.000 1.268 332 R HN -0.271 nan 8.270 nan 0.000 0.475 333 P HA 0.205 nan 4.420 nan 0.000 0.281 333 P C -0.616 176.756 177.300 0.119 0.000 1.252 333 P CA -0.208 62.934 63.100 0.070 0.000 0.778 333 P CB 1.276 33.020 31.700 0.073 0.000 0.895 334 A N 3.723 126.610 122.820 0.112 0.000 2.425 334 A HA 0.158 4.405 4.320 -0.122 0.000 0.242 334 A C -0.763 176.994 177.584 0.287 0.000 1.077 334 A CA -0.077 52.072 52.037 0.186 0.000 0.781 334 A CB -0.269 18.813 19.000 0.137 0.000 1.020 334 A HN 0.609 nan 8.150 nan 0.000 0.494 335 Y N 3.003 123.433 120.300 0.218 0.000 2.504 335 Y HA 0.367 4.843 4.550 -0.122 0.000 0.339 335 Y C -0.125 175.908 175.900 0.222 0.000 0.974 335 Y CA -1.025 57.207 58.100 0.219 0.000 1.232 335 Y CB 0.419 39.001 38.460 0.203 0.000 1.108 335 Y HN 0.458 nan 8.280 nan 0.000 0.509 336 I N 6.105 126.827 120.570 0.254 0.000 2.533 336 I HA -0.151 3.946 4.170 -0.122 0.000 0.284 336 I C -0.121 176.067 176.117 0.118 0.000 1.109 336 I CA -0.086 61.305 61.300 0.151 0.000 1.412 336 I CB 0.238 38.163 38.000 -0.125 0.000 1.396 336 I HN 0.712 nan 8.210 nan 0.000 0.543 337 W N 9.130 130.418 121.300 -0.021 0.000 2.288 337 W HA 0.187 4.774 4.660 -0.123 0.000 0.325 337 W C -1.257 175.196 176.519 -0.108 0.000 1.019 337 W CA -1.480 55.805 57.345 -0.100 0.000 1.403 337 W CB 0.979 30.342 29.460 -0.162 0.000 1.226 337 W HN 0.564 nan 8.180 nan 0.000 0.391 338 W N 8.097 129.308 121.300 -0.150 0.000 2.332 338 W HA 0.262 4.850 4.660 -0.120 0.000 0.306 338 W C 0.260 176.814 176.519 0.059 0.000 1.149 338 W CA -0.717 56.562 57.345 -0.109 0.000 1.271 338 W CB 0.562 29.855 29.460 -0.279 0.000 1.243 338 W HN 0.240 nan 8.180 nan 0.000 0.459 339 N N 6.786 125.354 118.700 -0.221 0.000 3.254 339 N HA 0.078 4.745 4.740 -0.122 0.000 0.308 339 N C -1.580 173.606 175.510 -0.539 0.000 1.281 339 N CA 0.276 53.161 53.050 -0.274 0.000 1.212 339 N CB -0.638 37.705 38.487 -0.239 0.000 1.478 339 N HN 0.333 nan 8.380 nan 0.000 0.548 340 F N 0.813 120.242 119.950 -0.869 0.000 2.635 340 F HA 0.331 4.785 4.527 -0.121 0.000 0.314 340 F C -2.294 173.208 175.800 -0.496 0.000 1.119 340 F CA -1.715 55.776 58.000 -0.849 0.000 1.000 340 F CB 2.273 40.386 39.000 -1.478 0.000 1.278 340 F HN -0.048 nan 8.300 nan 0.000 0.446 341 P HA 0.036 nan 4.420 nan 0.000 0.253 341 P C 0.198 177.082 177.300 -0.692 0.000 1.459 341 P CA 0.325 62.545 63.100 -1.467 0.000 0.908 341 P CB 0.303 31.322 31.700 -1.136 0.000 1.470 342 V N 2.159 121.824 119.914 -0.414 0.000 2.678 342 V HA -0.080 3.967 4.120 -0.122 0.000 0.304 342 V C 1.159 177.069 176.094 -0.307 0.000 1.086 342 V CA 1.556 63.703 62.300 -0.255 0.000 1.246 342 V CB 0.007 31.787 31.823 -0.072 0.000 0.861 342 V HN 0.397 nan 8.190 nan 0.000 0.491 343 S N 2.284 117.786 115.700 -0.330 0.000 2.664 343 S HA 0.161 4.558 4.470 -0.122 0.000 0.245 343 S C 0.770 175.176 174.600 -0.323 0.000 1.019 343 S CA 0.091 58.054 58.200 -0.395 0.000 0.996 343 S CB 0.152 63.190 63.200 -0.270 0.000 0.878 343 S HN 0.971 nan 8.310 nan 0.000 0.493 344 D N 1.610 121.904 120.400 -0.176 0.000 2.371 344 D HA -0.140 4.427 4.640 -0.122 0.000 0.221 344 D C 1.036 177.367 176.300 0.051 0.000 0.986 344 D CA 0.367 54.356 54.000 -0.018 0.000 0.899 344 D CB -0.701 40.172 40.800 0.121 0.000 0.902 344 D HN 0.773 nan 8.370 nan 0.000 0.530 345 Y N -1.023 119.288 120.300 0.019 0.000 2.500 345 Y HA 0.400 4.878 4.550 -0.119 0.000 0.246 345 Y C 0.384 176.314 175.900 0.049 0.000 1.146 345 Y CA -0.638 57.474 58.100 0.020 0.000 1.230 345 Y CB 0.349 38.846 38.460 0.061 0.000 1.214 345 Y HN -0.047 nan 8.280 nan 0.000 0.526 346 V N -1.776 117.974 119.914 -0.275 0.000 2.637 346 V HA 0.459 4.506 4.120 -0.122 0.000 0.296 346 V C 0.657 176.779 176.094 0.046 0.000 1.118 346 V CA -0.784 61.459 62.300 -0.096 0.000 1.230 346 V CB 0.271 31.943 31.823 -0.252 0.000 1.360 346 V HN 0.268 nan 8.190 nan 0.000 0.620 347 R N 1.351 121.914 120.500 0.104 0.000 2.293 347 R HA -0.064 4.203 4.340 -0.122 0.000 0.219 347 R C 1.337 177.832 176.300 0.325 0.000 1.091 347 R CA 1.567 57.768 56.100 0.169 0.000 1.004 347 R CB 0.057 30.465 30.300 0.180 0.000 0.865 347 R HN 0.890 nan 8.270 nan 0.000 0.469 348 D N -1.095 119.507 120.400 0.337 0.000 2.340 348 D HA -0.046 4.520 4.640 -0.122 0.000 0.220 348 D C 0.229 176.812 176.300 0.472 0.000 1.039 348 D CA 0.384 54.620 54.000 0.392 0.000 0.866 348 D CB -0.058 40.864 40.800 0.204 0.000 0.913 348 D HN 0.193 nan 8.370 nan 0.000 0.523 349 H N 0.053 119.294 119.070 0.285 0.000 2.524 349 H HA 0.417 4.903 4.556 -0.118 0.000 0.353 349 H C -0.196 175.014 175.328 -0.196 0.000 1.136 349 H CA -0.844 55.285 56.048 0.134 0.000 1.193 349 H CB 2.323 32.111 29.762 0.043 0.000 1.558 349 H HN -0.085 nan 8.280 nan 0.000 0.515 350 L N 3.588 124.584 121.223 -0.379 0.000 2.307 350 L HA 0.297 4.564 4.340 -0.122 0.000 0.282 350 L C -0.079 176.665 176.870 -0.211 0.000 1.051 350 L CA -0.606 53.939 54.840 -0.490 0.000 0.804 350 L CB 1.087 42.692 42.059 -0.756 0.000 1.197 350 L HN 0.342 nan 8.230 nan 0.000 0.431 351 L N 5.649 126.760 121.223 -0.187 0.000 2.387 351 L HA 0.330 4.596 4.340 -0.122 0.000 0.259 351 L C 0.364 177.207 176.870 -0.047 0.000 1.050 351 L CA -0.087 54.698 54.840 -0.092 0.000 0.922 351 L CB 0.628 42.570 42.059 -0.194 0.000 1.280 351 L HN 0.653 nan 8.230 nan 0.000 0.449 352 L N 1.182 122.433 121.223 0.048 0.000 2.728 352 L HA 0.320 4.587 4.340 -0.122 0.000 0.238 352 L C 1.398 178.513 176.870 0.407 0.000 1.143 352 L CA -0.181 54.744 54.840 0.141 0.000 0.937 352 L CB 0.287 42.367 42.059 0.036 0.000 1.225 352 L HN 0.579 nan 8.230 nan 0.000 0.507 353 G N 0.940 109.957 108.800 0.361 0.000 2.653 353 G HA2 0.307 4.194 3.960 -0.122 0.000 0.265 353 G HA3 0.307 4.194 3.960 -0.122 0.000 0.265 353 G C -2.405 172.613 174.900 0.197 0.000 1.237 353 G CA -0.785 44.448 45.100 0.222 0.000 0.946 353 G HN -0.105 nan 8.290 nan 0.000 0.522 354 P HA 0.122 nan 4.420 nan 0.000 0.270 354 P C -0.335 177.022 177.300 0.095 0.000 1.223 354 P CA -0.280 62.671 63.100 -0.249 0.000 0.785 354 P CB 0.841 31.960 31.700 -0.969 0.000 0.923 355 V N 3.973 124.029 119.914 0.237 0.000 2.385 355 V HA 0.325 4.372 4.120 -0.122 0.000 0.269 355 V C -0.104 176.092 176.094 0.170 0.000 1.043 355 V CA 0.299 62.739 62.300 0.234 0.000 0.906 355 V CB -0.665 31.383 31.823 0.374 0.000 0.995 355 V HN 0.601 nan 8.190 nan 0.000 0.467 356 Y N 2.064 122.318 120.300 -0.077 0.000 2.670 356 Y HA 0.838 5.314 4.550 -0.123 0.000 0.334 356 Y C 0.618 176.451 175.900 -0.111 0.000 1.185 356 Y CA -0.516 57.522 58.100 -0.103 0.000 1.053 356 Y CB 1.541 39.910 38.460 -0.151 0.000 1.298 356 Y HN 0.719 nan 8.280 nan 0.000 0.459 357 G N 0.794 109.634 108.800 0.066 0.000 2.218 357 G HA2 -0.227 3.660 3.960 -0.122 0.000 0.216 357 G HA3 -0.227 3.660 3.960 -0.122 0.000 0.216 357 G C -0.748 174.123 174.900 -0.049 0.000 0.994 357 G CA -0.199 44.926 45.100 0.041 0.000 0.637 357 G HN 0.712 nan 8.290 nan 0.000 0.505 358 N N 1.791 120.346 118.700 -0.243 0.000 2.455 358 N HA 0.327 4.994 4.740 -0.122 0.000 0.280 358 N C -0.817 174.646 175.510 -0.079 0.000 1.055 358 N CA -0.385 52.495 53.050 -0.283 0.000 0.961 358 N CB 1.466 39.483 38.487 -0.783 0.000 1.121 358 N HN 0.314 nan 8.380 nan 0.000 0.476 359 D N 0.993 121.420 120.400 0.045 0.000 2.493 359 D HA -0.049 4.518 4.640 -0.122 0.000 0.240 359 D C 0.843 177.240 176.300 0.161 0.000 1.142 359 D CA 0.424 54.484 54.000 0.100 0.000 0.872 359 D CB 0.841 41.696 40.800 0.093 0.000 1.173 359 D HN 0.548 nan 8.370 nan 0.000 0.467 360 T N -0.607 114.035 114.554 0.147 0.000 3.144 360 T HA -0.012 4.265 4.350 -0.122 0.000 0.249 360 T C 1.297 176.002 174.700 0.008 0.000 1.089 360 T CA 0.487 62.656 62.100 0.115 0.000 0.989 360 T CB -0.157 68.801 68.868 0.150 0.000 0.992 360 T HN 0.399 nan 8.240 nan 0.000 0.540 361 T N -0.282 114.285 114.554 0.022 0.000 3.085 361 T HA 0.322 4.599 4.350 -0.122 0.000 0.264 361 T C 1.226 175.924 174.700 -0.003 0.000 1.019 361 T CA -0.471 61.630 62.100 0.002 0.000 0.910 361 T CB -0.700 68.180 68.868 0.020 0.000 1.059 361 T HN 0.666 nan 8.240 nan 0.000 0.542 362 I N -1.803 118.767 120.570 0.000 0.000 3.914 362 I HA 0.694 4.791 4.170 -0.122 0.000 0.333 362 I C 2.026 178.136 176.117 -0.011 0.000 1.449 362 I CA -0.705 60.605 61.300 0.016 0.000 1.135 362 I CB -0.267 37.771 38.000 0.064 0.000 1.073 362 I HN 0.085 nan 8.210 nan 0.000 0.401 363 A N 2.448 125.224 122.820 -0.073 0.000 1.917 363 A HA -0.219 4.027 4.320 -0.122 0.000 0.219 363 A C 2.335 179.884 177.584 -0.057 0.000 1.182 363 A CA 1.845 53.816 52.037 -0.109 0.000 0.633 363 A CB -0.447 18.451 19.000 -0.170 0.000 0.819 363 A HN 0.540 nan 8.150 nan 0.000 0.448 364 K N -0.483 119.895 120.400 -0.036 0.000 2.283 364 K HA -0.075 4.172 4.320 -0.122 0.000 0.202 364 K C 1.043 177.645 176.600 0.004 0.000 1.048 364 K CA 1.058 57.334 56.287 -0.018 0.000 0.948 364 K CB 0.017 32.510 32.500 -0.012 0.000 0.742 364 K HN 0.447 nan 8.250 nan 0.000 0.458 365 E N -0.047 120.165 120.200 0.019 0.000 2.489 365 E HA 0.075 4.352 4.350 -0.122 0.000 0.193 365 E C 0.242 176.881 176.600 0.066 0.000 1.057 365 E CA 0.454 56.879 56.400 0.041 0.000 0.866 365 E CB 0.203 29.935 29.700 0.053 0.000 0.916 365 E HN 0.312 nan 8.360 nan 0.000 0.500 366 M N -0.241 119.396 119.600 0.063 0.000 2.259 366 M HA 0.237 4.643 4.480 -0.122 0.000 0.304 366 M C 0.769 177.105 176.300 0.060 0.000 1.019 366 M CA -0.364 54.993 55.300 0.095 0.000 0.922 366 M CB 2.334 35.017 32.600 0.139 0.000 1.600 366 M HN -0.283 nan 8.290 nan 0.000 0.433 367 S N 1.149 116.904 115.700 0.092 0.000 2.414 367 S HA 0.203 4.600 4.470 -0.122 0.000 0.227 367 S C 0.641 175.239 174.600 -0.004 0.000 1.022 367 S CA 0.739 59.002 58.200 0.104 0.000 0.958 367 S CB 0.222 63.578 63.200 0.261 0.000 0.797 367 S HN 0.899 nan 8.310 nan 0.000 0.493 368 G N -0.298 108.381 108.800 -0.203 0.000 2.677 368 G HA2 0.610 4.497 3.960 -0.122 0.000 0.291 368 G HA3 0.610 4.497 3.960 -0.122 0.000 0.291 368 G C -2.083 172.689 174.900 -0.213 0.000 1.435 368 G CA -0.627 44.154 45.100 -0.533 0.000 0.826 368 G HN 0.144 nan 8.290 nan 0.000 0.491 369 F N 1.528 121.345 119.950 -0.222 0.000 2.730 369 F HA 0.559 5.012 4.527 -0.122 0.000 0.335 369 F C -0.425 175.395 175.800 0.033 0.000 1.212 369 F CA -0.757 57.231 58.000 -0.020 0.000 1.016 369 F CB 1.917 40.939 39.000 0.037 0.000 1.290 369 F HN 0.567 nan 8.300 nan 0.000 0.495 370 V N 2.041 121.919 119.914 -0.061 0.000 2.823 370 V HA 0.751 4.797 4.120 -0.122 0.000 0.312 370 V C -0.511 175.564 176.094 -0.031 0.000 1.072 370 V CA -0.632 61.683 62.300 0.025 0.000 0.937 370 V CB 1.359 33.171 31.823 -0.018 0.000 1.013 370 V HN 0.761 nan 8.190 nan 0.000 0.430 371 T N 2.347 116.962 114.554 0.102 0.000 2.799 371 T HA 0.385 4.662 4.350 -0.122 0.000 0.286 371 T C -0.207 174.443 174.700 -0.083 0.000 0.973 371 T CA -0.343 61.844 62.100 0.145 0.000 1.035 371 T CB 0.728 69.814 68.868 0.364 0.000 0.932 371 T HN 0.966 nan 8.240 nan 0.000 0.469 372 N N 6.152 124.753 118.700 -0.166 0.000 2.420 372 N HA 0.421 5.088 4.740 -0.122 0.000 0.249 372 N C -2.345 173.120 175.510 -0.075 0.000 1.033 372 N CA -1.879 51.053 53.050 -0.196 0.000 0.944 372 N CB 1.054 39.467 38.487 -0.124 0.000 1.113 372 N HN 0.427 nan 8.380 nan 0.000 0.502 373 P HA 0.289 nan 4.420 nan 0.000 0.301 373 P C -0.247 176.981 177.300 -0.120 0.000 1.309 373 P CA -0.545 62.578 63.100 0.039 0.000 0.782 373 P CB 1.183 33.091 31.700 0.347 0.000 1.282 374 M N 0.095 119.596 119.600 -0.166 0.000 2.228 374 M HA 0.104 4.511 4.480 -0.122 0.000 0.326 374 M C 1.826 177.766 176.300 -0.600 0.000 1.122 374 M CA 0.071 55.143 55.300 -0.381 0.000 1.161 374 M CB 0.228 32.700 32.600 -0.214 0.000 1.437 374 M HN 0.473 nan 8.290 nan 0.000 0.465 375 E N 0.324 119.899 120.200 -1.042 0.000 2.401 375 E HA -0.156 4.121 4.350 -0.122 0.000 0.199 375 E C -0.226 176.215 176.600 -0.265 0.000 1.023 375 E CA 1.064 56.929 56.400 -0.893 0.000 0.859 375 E CB -0.115 29.145 29.700 -0.734 0.000 0.780 375 E HN 0.505 nan 8.360 nan 0.000 0.523 376 H N 0.593 119.626 119.070 -0.062 0.000 2.969 376 H HA 0.296 4.780 4.556 -0.120 0.000 0.269 376 H C 0.768 176.035 175.328 -0.102 0.000 1.223 376 H CA 0.294 56.299 56.048 -0.072 0.000 1.400 376 H CB 1.264 30.930 29.762 -0.161 0.000 1.500 376 H HN 0.274 nan 8.280 nan 0.000 0.486 377 A N 3.790 126.476 122.820 -0.223 0.000 1.858 377 A HA -0.151 4.096 4.320 -0.122 0.000 0.216 377 A C 2.145 179.440 177.584 -0.482 0.000 1.190 377 A CA 1.011 52.593 52.037 -0.758 0.000 0.617 377 A CB 0.084 18.235 19.000 -1.415 0.000 0.827 377 A HN 0.512 nan 8.150 nan 0.000 0.443 378 E N 0.362 120.350 120.200 -0.353 0.000 2.072 378 E HA -0.100 4.177 4.350 -0.122 0.000 0.191 378 E C 2.338 178.796 176.600 -0.237 0.000 0.985 378 E CA 1.366 57.577 56.400 -0.314 0.000 0.801 378 E CB -0.647 28.901 29.700 -0.253 0.000 0.750 378 E HN 0.542 nan 8.360 nan 0.000 0.452 379 S N 1.125 116.729 115.700 -0.160 0.000 2.400 379 S HA -0.096 4.301 4.470 -0.122 0.000 0.232 379 S C 2.101 176.650 174.600 -0.084 0.000 1.025 379 S CA 0.966 59.094 58.200 -0.121 0.000 0.993 379 S CB -0.127 62.999 63.200 -0.124 0.000 0.808 379 S HN 0.147 nan 8.310 nan 0.000 0.478 380 S N 1.182 116.844 115.700 -0.063 0.000 2.447 380 S HA 0.002 4.399 4.470 -0.122 0.000 0.233 380 S C 1.666 176.305 174.600 0.066 0.000 1.006 380 S CA 0.664 58.874 58.200 0.017 0.000 0.957 380 S CB -0.104 63.176 63.200 0.133 0.000 0.773 380 S HN 0.496 nan 8.310 nan 0.000 0.507 381 K N 1.009 121.378 120.400 -0.052 0.000 2.211 381 K HA -0.044 4.203 4.320 -0.122 0.000 0.204 381 K C 1.725 178.436 176.600 0.185 0.000 1.047 381 K CA 0.969 57.233 56.287 -0.039 0.000 0.935 381 K CB -0.338 31.825 32.500 -0.562 0.000 0.728 381 K HN 0.386 nan 8.250 nan 0.000 0.452 382 I N 0.953 121.580 120.570 0.095 0.000 2.127 382 I HA -0.319 3.778 4.170 -0.122 0.000 0.241 382 I C 2.543 178.855 176.117 0.325 0.000 1.075 382 I CA 1.418 62.802 61.300 0.140 0.000 1.334 382 I CB -0.413 37.634 38.000 0.079 0.000 1.040 382 I HN 0.159 nan 8.210 nan 0.000 0.405 383 A N 0.808 123.826 122.820 0.330 0.000 1.898 383 A HA -0.134 4.113 4.320 -0.122 0.000 0.216 383 A C 2.291 180.146 177.584 0.451 0.000 1.181 383 A CA 1.312 53.612 52.037 0.439 0.000 0.620 383 A CB -0.809 18.420 19.000 0.381 0.000 0.819 383 A HN 0.366 nan 8.150 nan 0.000 0.442 384 I N -1.930 118.893 120.570 0.422 0.000 2.163 384 I HA -0.314 3.782 4.170 -0.122 0.000 0.243 384 I C 2.466 178.867 176.117 0.473 0.000 1.085 384 I CA 2.008 63.582 61.300 0.456 0.000 1.347 384 I CB -0.464 37.855 38.000 0.531 0.000 1.044 384 I HN 0.547 nan 8.210 nan 0.000 0.408 385 Y N 1.278 121.828 120.300 0.417 0.000 2.207 385 Y HA -0.309 4.168 4.550 -0.121 0.000 0.287 385 Y C 2.734 178.758 175.900 0.206 0.000 1.156 385 Y CA 2.033 60.276 58.100 0.238 0.000 1.182 385 Y CB -0.027 38.612 38.460 0.299 0.000 0.979 385 Y HN 0.078 nan 8.280 nan 0.000 0.521 386 S N -0.956 115.061 115.700 0.530 0.000 2.387 386 S HA -0.139 4.258 4.470 -0.122 0.000 0.226 386 S C 2.016 176.771 174.600 0.259 0.000 1.026 386 S CA 1.148 59.638 58.200 0.483 0.000 0.972 386 S CB -0.446 63.076 63.200 0.536 0.000 0.814 386 S HN 0.305 nan 8.310 nan 0.000 0.477 387 V N 2.220 122.278 119.914 0.241 0.000 2.358 387 V HA -0.173 3.874 4.120 -0.122 0.000 0.246 387 V C 2.661 178.807 176.094 0.088 0.000 1.047 387 V CA 1.584 63.968 62.300 0.141 0.000 1.035 387 V CB -1.222 30.809 31.823 0.347 0.000 0.658 387 V HN 0.519 nan 8.190 nan 0.000 0.452 388 A N -0.447 122.425 122.820 0.087 0.000 1.892 388 A HA -0.288 3.959 4.320 -0.122 0.000 0.218 388 A C 2.583 180.145 177.584 -0.036 0.000 1.188 388 A CA 2.546 54.578 52.037 -0.008 0.000 0.631 388 A CB -0.892 18.035 19.000 -0.122 0.000 0.822 388 A HN 0.500 nan 8.150 nan 0.000 0.447 389 S N -2.062 113.618 115.700 -0.033 0.000 2.368 389 S HA -0.191 4.206 4.470 -0.122 0.000 0.224 389 S C 1.927 176.569 174.600 0.071 0.000 1.029 389 S CA 1.586 59.802 58.200 0.027 0.000 0.988 389 S CB -0.577 62.708 63.200 0.141 0.000 0.838 389 S HN 0.687 nan 8.310 nan 0.000 0.462 390 Y N 1.990 122.139 120.300 -0.251 0.000 2.128 390 Y HA -0.046 4.431 4.550 -0.121 0.000 0.284 390 Y C 2.319 177.994 175.900 -0.375 0.000 1.154 390 Y CA 1.580 59.323 58.100 -0.594 0.000 1.149 390 Y CB -0.914 36.819 38.460 -1.211 0.000 0.976 390 Y HN 0.298 nan 8.280 nan 0.000 0.505 391 A N 0.256 122.835 122.820 -0.403 0.000 2.016 391 A HA -0.127 4.120 4.320 -0.122 0.000 0.217 391 A C 2.191 179.622 177.584 -0.254 0.000 1.162 391 A CA 1.027 52.803 52.037 -0.435 0.000 0.662 391 A CB -1.391 17.521 19.000 -0.146 0.000 0.812 391 A HN 0.847 nan 8.150 nan 0.000 0.450 392 W N 0.337 121.464 121.300 -0.288 0.000 2.441 392 W HA 0.026 4.613 4.660 -0.122 0.000 0.302 392 W C -0.105 176.253 176.519 -0.269 0.000 1.191 392 W CA 1.483 58.681 57.345 -0.245 0.000 1.327 392 W CB 0.028 29.354 29.460 -0.224 0.000 1.128 392 W HN 0.374 nan 8.180 nan 0.000 0.522 393 N N 0.363 119.058 118.700 -0.008 0.000 2.750 393 N HA 0.166 4.833 4.740 -0.122 0.000 0.253 393 N C -2.056 173.383 175.510 -0.119 0.000 1.408 393 N CA -1.722 51.273 53.050 -0.092 0.000 0.780 393 N CB 0.837 39.363 38.487 0.066 0.000 1.191 393 N HN -0.161 nan 8.380 nan 0.000 0.511 394 P HA -0.059 nan 4.420 nan 0.000 0.218 394 P C 1.108 178.371 177.300 -0.061 0.000 1.149 394 P CA 0.748 63.660 63.100 -0.313 0.000 0.817 394 P CB 0.312 31.636 31.700 -0.627 0.000 0.785 395 A N 0.620 123.392 122.820 -0.080 0.000 1.978 395 A HA -0.153 4.094 4.320 -0.122 0.000 0.220 395 A C 1.860 179.454 177.584 0.017 0.000 1.170 395 A CA 1.573 53.594 52.037 -0.027 0.000 0.636 395 A CB -0.752 18.219 19.000 -0.049 0.000 0.810 395 A HN 0.077 nan 8.150 nan 0.000 0.448 396 K N -0.993 119.424 120.400 0.027 0.000 2.498 396 K HA 0.149 4.396 4.320 -0.122 0.000 0.207 396 K C -0.683 175.977 176.600 0.100 0.000 1.033 396 K CA -0.475 55.840 56.287 0.047 0.000 1.138 396 K CB -0.188 32.327 32.500 0.026 0.000 0.860 396 K HN 0.512 nan 8.250 nan 0.000 0.490 397 Y N 2.586 122.898 120.300 0.020 0.000 2.496 397 Y HA 0.014 4.491 4.550 -0.122 0.000 0.334 397 Y C -0.244 175.701 175.900 0.075 0.000 1.080 397 Y CA -0.577 57.562 58.100 0.064 0.000 1.355 397 Y CB 0.362 38.903 38.460 0.135 0.000 1.193 397 Y HN -0.004 nan 8.280 nan 0.000 0.523 398 D N 4.885 124.970 120.400 -0.525 0.000 2.453 398 D HA 0.164 4.731 4.640 -0.122 0.000 0.238 398 D C 0.530 176.433 176.300 -0.662 0.000 1.088 398 D CA -0.152 53.601 54.000 -0.411 0.000 0.854 398 D CB 1.533 42.254 40.800 -0.131 0.000 1.076 398 D HN 0.770 nan 8.370 nan 0.000 0.533 399 T N 2.481 116.635 114.554 -0.666 0.000 2.622 399 T HA -0.175 4.102 4.350 -0.122 0.000 0.266 399 T C 1.506 176.052 174.700 -0.257 0.000 1.047 399 T CA 1.321 63.097 62.100 -0.538 0.000 1.159 399 T CB -0.262 68.364 68.868 -0.403 0.000 0.863 399 T HN 0.547 nan 8.240 nan 0.000 0.422 400 W N 1.023 122.286 121.300 -0.062 0.000 2.407 400 W HA -0.020 4.566 4.660 -0.123 0.000 0.305 400 W C 2.893 179.510 176.519 0.163 0.000 1.196 400 W CA 0.479 57.855 57.345 0.051 0.000 1.311 400 W CB -0.412 29.035 29.460 -0.021 0.000 1.135 400 W HN 0.190 nan 8.180 nan 0.000 0.514 401 Q N 0.054 120.025 119.800 0.284 0.000 2.124 401 Q HA -0.145 4.122 4.340 -0.122 0.000 0.202 401 Q C 1.929 178.055 176.000 0.211 0.000 0.977 401 Q CA 2.472 58.403 55.803 0.213 0.000 0.850 401 Q CB -0.713 28.096 28.738 0.119 0.000 0.901 401 Q HN 0.098 nan 8.270 nan 0.000 0.429 402 T N -0.547 114.116 114.554 0.182 0.000 2.777 402 T HA -0.141 4.136 4.350 -0.122 0.000 0.266 402 T C 0.971 175.877 174.700 0.344 0.000 1.040 402 T CA 1.080 63.350 62.100 0.283 0.000 1.141 402 T CB -0.553 68.486 68.868 0.286 0.000 0.868 402 T HN 0.546 nan 8.240 nan 0.000 0.444 403 W N 2.469 123.843 121.300 0.123 0.000 2.317 403 W HA -0.170 4.416 4.660 -0.123 0.000 0.318 403 W C 2.097 178.659 176.519 0.072 0.000 1.227 403 W CA 1.290 58.694 57.345 0.098 0.000 1.269 403 W CB -0.228 29.259 29.460 0.044 0.000 1.155 403 W HN 0.124 nan 8.180 nan 0.000 0.484 404 K N -0.283 120.245 120.400 0.213 0.000 2.063 404 K HA -0.222 4.024 4.320 -0.122 0.000 0.208 404 K C 1.598 178.128 176.600 -0.116 0.000 1.048 404 K CA 1.924 58.187 56.287 -0.040 0.000 0.928 404 K CB -0.581 32.005 32.500 0.143 0.000 0.713 404 K HN 0.111 nan 8.250 nan 0.000 0.442 405 D N 0.672 121.060 120.400 -0.021 0.000 2.117 405 D HA -0.144 4.423 4.640 -0.122 0.000 0.197 405 D C 1.900 177.945 176.300 -0.425 0.000 0.987 405 D CA 1.402 55.362 54.000 -0.067 0.000 0.829 405 D CB -0.330 40.572 40.800 0.171 0.000 0.961 405 D HN 0.222 nan 8.370 nan 0.000 0.460 406 A N 0.888 123.314 122.820 -0.657 0.000 1.873 406 A HA -0.194 4.053 4.320 -0.122 0.000 0.218 406 A C 2.415 179.672 177.584 -0.546 0.000 1.193 406 A CA 1.257 52.671 52.037 -1.038 0.000 0.629 406 A CB -0.900 17.825 19.000 -0.459 0.000 0.826 406 A HN 0.213 nan 8.150 nan 0.000 0.447 407 I N -1.212 119.090 120.570 -0.447 0.000 2.226 407 I HA -0.260 3.837 4.170 -0.122 0.000 0.245 407 I C 2.710 178.667 176.117 -0.267 0.000 1.100 407 I CA 1.816 62.889 61.300 -0.378 0.000 1.374 407 I CB -0.247 37.443 38.000 -0.516 0.000 1.057 407 I HN 0.361 nan 8.210 nan 0.000 0.413 408 R N 0.282 120.640 120.500 -0.237 0.000 2.120 408 R HA -0.139 4.128 4.340 -0.122 0.000 0.234 408 R C 2.137 178.360 176.300 -0.129 0.000 1.123 408 R CA 1.776 57.784 56.100 -0.153 0.000 0.975 408 R CB -0.181 30.054 30.300 -0.110 0.000 0.866 408 R HN 0.246 nan 8.270 nan 0.000 0.446 409 T N 0.384 114.837 114.554 -0.167 0.000 2.812 409 T HA -0.001 4.276 4.350 -0.122 0.000 0.264 409 T C 1.695 176.366 174.700 -0.049 0.000 1.042 409 T CA 1.323 63.375 62.100 -0.080 0.000 1.140 409 T CB -0.024 68.796 68.868 -0.080 0.000 0.870 409 T HN 0.166 nan 8.240 nan 0.000 0.445 410 I N -0.110 120.395 120.570 -0.108 0.000 2.353 410 I HA 0.045 4.142 4.170 -0.122 0.000 0.248 410 I C 0.649 176.692 176.117 -0.123 0.000 1.119 410 I CA 0.846 62.074 61.300 -0.120 0.000 1.417 410 I CB 0.255 38.148 38.000 -0.179 0.000 1.078 410 I HN 0.104 nan 8.210 nan 0.000 0.421 411 L N 1.428 122.574 121.223 -0.128 0.000 2.511 411 L HA 0.341 4.608 4.340 -0.122 0.000 0.252 411 L C -1.919 174.891 176.870 -0.099 0.000 1.542 411 L CA -1.312 53.459 54.840 -0.114 0.000 0.822 411 L CB 0.585 42.567 42.059 -0.129 0.000 1.050 411 L HN -0.198 nan 8.230 nan 0.000 0.516 412 P HA -0.150 nan 4.420 nan 0.000 0.218 412 P C 1.352 178.616 177.300 -0.060 0.000 1.148 412 P CA 1.493 64.552 63.100 -0.068 0.000 0.822 412 P CB 0.168 31.836 31.700 -0.053 0.000 0.784 413 S N -0.990 114.675 115.700 -0.059 0.000 2.515 413 S HA 0.187 4.584 4.470 -0.122 0.000 0.231 413 S C 1.425 175.994 174.600 -0.052 0.000 0.987 413 S CA 0.628 58.797 58.200 -0.051 0.000 0.936 413 S CB -0.583 62.588 63.200 -0.049 0.000 0.766 413 S HN 0.167 nan 8.310 nan 0.000 0.528 414 A N -0.258 122.524 122.820 -0.064 0.000 2.897 414 A HA 0.853 5.100 4.320 -0.122 0.000 0.230 414 A C 1.239 178.779 177.584 -0.073 0.000 0.896 414 A CA 0.099 52.099 52.037 -0.063 0.000 1.114 414 A CB -0.381 18.576 19.000 -0.071 0.000 1.230 414 A HN 0.484 nan 8.150 nan 0.000 0.481 415 A N 0.469 123.243 122.820 -0.076 0.000 1.902 415 A HA -0.129 4.118 4.320 -0.122 0.000 0.217 415 A C 1.719 179.252 177.584 -0.085 0.000 1.181 415 A CA 1.865 53.842 52.037 -0.100 0.000 0.623 415 A CB -0.339 18.600 19.000 -0.101 0.000 0.818 415 A HN 0.618 nan 8.150 nan 0.000 0.443 416 E N -0.467 119.707 120.200 -0.043 0.000 2.110 416 E HA -0.209 4.068 4.350 -0.122 0.000 0.193 416 E C 1.990 178.597 176.600 0.012 0.000 0.988 416 E CA 1.409 57.805 56.400 -0.007 0.000 0.804 416 E CB -0.144 29.566 29.700 0.018 0.000 0.745 416 E HN 0.681 nan 8.360 nan 0.000 0.458 417 E N 0.658 120.858 120.200 -0.000 0.000 2.106 417 E HA -0.168 4.109 4.350 -0.122 0.000 0.192 417 E C 1.860 178.471 176.600 0.019 0.000 0.984 417 E CA 0.503 56.914 56.400 0.019 0.000 0.806 417 E CB -0.103 29.590 29.700 -0.011 0.000 0.750 417 E HN 0.091 nan 8.360 nan 0.000 0.458 418 L N 1.129 122.329 121.223 -0.038 0.000 2.109 418 L HA -0.093 4.174 4.340 -0.122 0.000 0.207 418 L C 1.769 178.616 176.870 -0.038 0.000 1.086 418 L CA 1.750 56.566 54.840 -0.040 0.000 0.760 418 L CB -0.257 41.735 42.059 -0.112 0.000 0.910 418 L HN 0.069 nan 8.230 nan 0.000 0.437 419 E N -1.144 118.994 120.200 -0.103 0.000 2.058 419 E HA -0.304 3.973 4.350 -0.122 0.000 0.194 419 E C 2.337 179.022 176.600 0.142 0.000 0.997 419 E CA 1.632 57.967 56.400 -0.109 0.000 0.801 419 E CB -0.479 29.172 29.700 -0.082 0.000 0.746 419 E HN 0.701 nan 8.360 nan 0.000 0.450 420 C N 0.450 119.841 119.300 0.152 0.000 2.393 420 C HA -0.217 4.170 4.460 -0.122 0.000 0.276 420 C C 2.507 177.673 174.990 0.294 0.000 1.215 420 C CA 1.069 60.233 59.018 0.243 0.000 1.743 420 C CB -1.205 26.699 27.740 0.273 0.000 2.044 420 C HN 0.500 nan 8.230 nan 0.000 0.464 421 F N 2.036 121.975 119.950 -0.018 0.000 2.102 421 F HA 0.027 4.483 4.527 -0.118 0.000 0.298 421 F C 2.282 177.988 175.800 -0.157 0.000 1.105 421 F CA 1.936 59.701 58.000 -0.392 0.000 1.239 421 F CB -0.775 37.926 39.000 -0.499 0.000 0.991 421 F HN 0.264 nan 8.300 nan 0.000 0.474 422 A N 0.107 122.910 122.820 -0.027 0.000 1.930 422 A HA -0.194 4.053 4.320 -0.122 0.000 0.217 422 A C 2.173 179.864 177.584 0.178 0.000 1.175 422 A CA 1.710 53.777 52.037 0.049 0.000 0.627 422 A CB -0.928 18.220 19.000 0.245 0.000 0.815 422 A HN 0.518 nan 8.150 nan 0.000 0.443 423 M N -0.313 119.417 119.600 0.217 0.000 2.202 423 M HA -0.156 4.251 4.480 -0.122 0.000 0.262 423 M C 1.067 177.237 176.300 -0.217 0.000 1.063 423 M CA 1.696 56.982 55.300 -0.023 0.000 1.097 423 M CB -0.543 31.917 32.600 -0.234 0.000 1.382 423 M HN 0.504 nan 8.290 nan 0.000 0.413 424 H N -0.878 118.277 119.070 0.142 0.000 2.520 424 H HA 0.393 4.875 4.556 -0.123 0.000 0.284 424 H C -0.242 175.108 175.328 0.036 0.000 1.037 424 H CA 0.000 56.138 56.048 0.150 0.000 1.168 424 H CB -0.196 29.776 29.762 0.351 0.000 1.497 424 H HN 0.401 nan 8.280 nan 0.000 0.547 425 N N 0.417 119.091 118.700 -0.043 0.000 2.733 425 N HA 0.140 4.807 4.740 -0.122 0.000 0.271 425 N C -0.074 175.419 175.510 -0.029 0.000 1.720 425 N CA 0.083 53.052 53.050 -0.135 0.000 0.803 425 N CB 1.743 39.899 38.487 -0.551 0.000 1.208 425 N HN -0.004 nan 8.380 nan 0.000 0.498 426 S N -0.327 115.419 115.700 0.076 0.000 2.930 426 S HA 0.051 4.447 4.470 -0.122 0.000 0.253 426 S C 0.204 174.895 174.600 0.152 0.000 1.083 426 S CA 0.040 58.313 58.200 0.122 0.000 0.836 426 S CB 0.748 64.009 63.200 0.101 0.000 0.814 426 S HN 0.445 nan 8.310 nan 0.000 0.467 427 D N 0.459 120.944 120.400 0.143 0.000 2.329 427 D HA 0.326 4.893 4.640 -0.122 0.000 0.246 427 D C 0.522 176.866 176.300 0.074 0.000 1.111 427 D CA -0.099 53.970 54.000 0.116 0.000 0.941 427 D CB 0.928 41.793 40.800 0.109 0.000 1.169 427 D HN -0.065 nan 8.370 nan 0.000 0.441 428 L N 1.289 122.488 121.223 -0.040 0.000 2.513 428 L HA 0.354 4.621 4.340 -0.122 0.000 0.222 428 L C 1.339 177.854 176.870 -0.592 0.000 1.096 428 L CA 0.782 55.454 54.840 -0.280 0.000 0.857 428 L CB -0.675 41.369 42.059 -0.026 0.000 1.026 428 L HN 0.758 nan 8.230 nan 0.000 0.469 429 G N -0.234 108.436 108.800 -0.217 0.000 2.846 429 G HA2 -0.186 3.701 3.960 -0.122 0.000 0.660 429 G HA3 -0.186 3.701 3.960 -0.122 0.000 0.660 429 G C -2.613 172.277 174.900 -0.016 0.000 1.464 429 G CA -1.056 44.005 45.100 -0.065 0.000 0.891 429 G HN 0.003 nan 8.290 nan 0.000 0.552 430 P HA 0.297 nan 4.420 nan 0.000 0.265 430 P C -0.014 177.324 177.300 0.063 0.000 1.193 430 P CA 0.345 63.478 63.100 0.056 0.000 0.765 430 P CB 0.516 32.252 31.700 0.060 0.000 0.823 431 N N -0.515 118.233 118.700 0.080 0.000 2.708 431 N HA 0.398 5.064 4.740 -0.122 0.000 0.257 431 N C 0.912 176.435 175.510 0.022 0.000 1.373 431 N CA -1.043 52.062 53.050 0.091 0.000 0.843 431 N CB 0.092 38.715 38.487 0.228 0.000 1.503 431 N HN 0.179 nan 8.380 nan 0.000 0.504 432 G N -1.222 107.527 108.800 -0.085 0.000 2.535 432 G HA2 -0.210 3.677 3.960 -0.122 0.000 0.218 432 G HA3 -0.210 3.677 3.960 -0.122 0.000 0.218 432 G C 0.308 175.041 174.900 -0.278 0.000 1.122 432 G CA 0.698 45.679 45.100 -0.198 0.000 0.769 432 G HN 0.692 nan 8.290 nan 0.000 0.549 433 H N -0.212 118.817 119.070 -0.067 0.000 2.551 433 H HA 0.183 4.666 4.556 -0.122 0.000 0.271 433 H C 2.200 177.550 175.328 0.036 0.000 0.984 433 H CA 0.206 56.200 56.048 -0.091 0.000 1.164 433 H CB 0.208 29.779 29.762 -0.319 0.000 1.437 433 H HN 0.359 nan 8.280 nan 0.000 0.550 434 G N 1.091 109.983 108.800 0.152 0.000 2.203 434 G HA2 -0.331 3.555 3.960 -0.122 0.000 0.263 434 G HA3 -0.331 3.555 3.960 -0.122 0.000 0.263 434 G C -0.192 174.825 174.900 0.195 0.000 1.012 434 G CA 0.499 45.683 45.100 0.140 0.000 0.749 434 G HN 0.511 nan 8.290 nan 0.000 0.512 435 Y N 1.266 121.635 120.300 0.115 0.000 2.328 435 Y HA 0.719 5.196 4.550 -0.123 0.000 0.337 435 Y C 0.466 176.429 175.900 0.105 0.000 1.008 435 Y CA -1.110 57.055 58.100 0.107 0.000 1.129 435 Y CB 0.735 39.275 38.460 0.133 0.000 1.185 435 Y HN 0.174 nan 8.280 nan 0.000 0.476 436 R N 4.693 125.019 120.500 -0.290 0.000 2.867 436 R HA 0.610 4.877 4.340 -0.122 0.000 0.268 436 R C -1.059 175.048 176.300 -0.321 0.000 1.014 436 R CA -1.150 54.843 56.100 -0.177 0.000 0.946 436 R CB 2.031 32.292 30.300 -0.066 0.000 1.208 436 R HN 0.684 nan 8.270 nan 0.000 0.477 437 R N 0.794 121.231 120.500 -0.104 0.000 2.771 437 R HA 0.343 4.610 4.340 -0.122 0.000 0.274 437 R C -0.366 175.982 176.300 0.080 0.000 0.987 437 R CA -0.867 55.225 56.100 -0.014 0.000 0.908 437 R CB 1.837 32.157 30.300 0.033 0.000 1.213 437 R HN 0.611 nan 8.270 nan 0.000 0.468 438 E N 1.488 121.772 120.200 0.140 0.000 2.408 438 E HA 0.091 4.368 4.350 -0.122 0.000 0.259 438 E C -0.365 176.284 176.600 0.083 0.000 1.110 438 E CA 0.267 56.713 56.400 0.077 0.000 0.929 438 E CB 0.808 30.516 29.700 0.013 0.000 0.971 438 E HN 0.375 nan 8.360 nan 0.000 0.438 439 E N -0.026 120.224 120.200 0.084 0.000 2.354 439 E HA 0.120 4.397 4.350 -0.122 0.000 0.283 439 E C -1.212 175.463 176.600 0.124 0.000 0.938 439 E CA -0.390 56.073 56.400 0.105 0.000 0.777 439 E CB 1.188 30.967 29.700 0.131 0.000 1.222 439 E HN 0.429 nan 8.360 nan 0.000 0.423 440 S N 2.433 118.217 115.700 0.141 0.000 3.635 440 S HA -0.224 4.173 4.470 -0.122 0.000 0.328 440 S C 0.770 175.444 174.600 0.123 0.000 1.135 440 S CA 1.227 59.572 58.200 0.242 0.000 0.942 440 S CB -1.179 62.222 63.200 0.336 0.000 0.930 440 S HN 0.669 nan 8.310 nan 0.000 0.512 441 M N 1.236 120.864 119.600 0.047 0.000 2.394 441 M HA -0.071 4.336 4.480 -0.122 0.000 0.264 441 M C 1.948 178.232 176.300 -0.025 0.000 1.073 441 M CA 1.603 56.905 55.300 0.003 0.000 1.111 441 M CB -0.333 32.249 32.600 -0.030 0.000 1.401 441 M HN 0.471 nan 8.290 nan 0.000 0.448 442 D N 1.114 121.495 120.400 -0.031 0.000 2.182 442 D HA -0.185 4.381 4.640 -0.122 0.000 0.201 442 D C 1.488 177.795 176.300 0.012 0.000 0.986 442 D CA 1.506 55.490 54.000 -0.027 0.000 0.847 442 D CB -0.573 40.223 40.800 -0.007 0.000 0.942 442 D HN 0.574 nan 8.370 nan 0.000 0.467 443 I N -3.515 117.082 120.570 0.046 0.000 4.139 443 I HA 0.162 4.258 4.170 -0.122 0.000 0.335 443 I C 1.952 178.073 176.117 0.007 0.000 1.327 443 I CA -0.204 61.103 61.300 0.012 0.000 1.112 443 I CB -0.036 37.955 38.000 -0.016 0.000 1.058 443 I HN -0.243 nan 8.210 nan 0.000 0.396 444 Q N 1.919 121.735 119.800 0.028 0.000 2.112 444 Q HA -0.126 4.141 4.340 -0.122 0.000 0.206 444 Q C -0.390 175.629 176.000 0.032 0.000 0.987 444 Q CA 2.451 58.274 55.803 0.034 0.000 0.858 444 Q CB -1.212 27.549 28.738 0.038 0.000 0.905 444 Q HN 0.383 nan 8.270 nan 0.000 0.420 445 P HA -0.137 nan 4.420 nan 0.000 0.214 445 P C 1.013 178.342 177.300 0.047 0.000 1.163 445 P CA 2.254 65.372 63.100 0.029 0.000 0.883 445 P CB -0.422 31.287 31.700 0.014 0.000 0.788 446 A N -0.099 122.740 122.820 0.032 0.000 1.908 446 A HA -0.175 4.072 4.320 -0.122 0.000 0.218 446 A C 2.351 179.985 177.584 0.082 0.000 1.181 446 A CA 2.433 54.497 52.037 0.045 0.000 0.627 446 A CB -1.677 17.314 19.000 -0.015 0.000 0.818 446 A HN 0.202 nan 8.150 nan 0.000 0.445 447 A N -0.549 122.300 122.820 0.047 0.000 1.865 447 A HA -0.197 4.050 4.320 -0.122 0.000 0.217 447 A C 2.031 179.712 177.584 0.161 0.000 1.191 447 A CA 2.262 54.351 52.037 0.086 0.000 0.623 447 A CB -0.538 18.488 19.000 0.045 0.000 0.826 447 A HN 0.474 nan 8.150 nan 0.000 0.444 448 E N -0.078 120.191 120.200 0.115 0.000 2.106 448 E HA -0.102 4.175 4.350 -0.122 0.000 0.192 448 E C 2.204 178.876 176.600 0.119 0.000 0.984 448 E CA 1.256 57.721 56.400 0.109 0.000 0.806 448 E CB -0.238 29.509 29.700 0.077 0.000 0.750 448 E HN 0.607 nan 8.360 nan 0.000 0.458 449 R N -0.962 119.615 120.500 0.128 0.000 2.075 449 R HA -0.062 4.205 4.340 -0.122 0.000 0.232 449 R C 2.337 178.748 176.300 0.185 0.000 1.126 449 R CA 1.285 57.467 56.100 0.136 0.000 0.963 449 R CB -0.507 29.869 30.300 0.128 0.000 0.858 449 R HN 0.233 nan 8.270 nan 0.000 0.435 450 F N 1.281 121.288 119.950 0.094 0.000 2.051 450 F HA -0.186 4.269 4.527 -0.121 0.000 0.296 450 F C 1.936 177.826 175.800 0.151 0.000 1.122 450 F CA 1.276 59.337 58.000 0.100 0.000 1.201 450 F CB -0.393 38.586 39.000 -0.035 0.000 0.978 450 F HN -0.084 nan 8.300 nan 0.000 0.472 451 L N 1.045 122.282 121.223 0.023 0.000 2.141 451 L HA -0.127 4.140 4.340 -0.122 0.000 0.209 451 L C 2.391 179.246 176.870 -0.026 0.000 1.094 451 L CA 1.774 56.572 54.840 -0.071 0.000 0.763 451 L CB -1.025 41.135 42.059 0.168 0.000 0.908 451 L HN 0.275 nan 8.230 nan 0.000 0.437 452 K N -0.899 119.516 120.400 0.025 0.000 2.007 452 K HA -0.118 4.129 4.320 -0.122 0.000 0.206 452 K C 2.042 178.666 176.600 0.041 0.000 1.047 452 K CA 1.153 57.466 56.287 0.044 0.000 0.937 452 K CB -0.204 32.330 32.500 0.056 0.000 0.718 452 K HN 0.359 nan 8.250 nan 0.000 0.438 453 A N 1.206 124.057 122.820 0.051 0.000 1.859 453 A HA -0.228 4.019 4.320 -0.122 0.000 0.217 453 A C 2.053 179.699 177.584 0.104 0.000 1.198 453 A CA 1.784 53.874 52.037 0.088 0.000 0.629 453 A CB -1.090 18.004 19.000 0.157 0.000 0.830 453 A HN 0.518 nan 8.150 nan 0.000 0.446 454 F N 0.678 120.549 119.950 -0.131 0.000 2.065 454 F HA -0.079 4.375 4.527 -0.121 0.000 0.298 454 F C 1.340 177.197 175.800 0.095 0.000 1.112 454 F CA 2.011 59.957 58.000 -0.090 0.000 1.212 454 F CB -0.374 38.261 39.000 -0.607 0.000 0.975 454 F HN 0.212 nan 8.300 nan 0.000 0.476 461 D N 2.514 123.135 120.400 0.368 0.000 2.417 461 D HA 0.112 4.679 4.640 -0.122 0.000 0.250 461 D C 0.713 177.229 176.300 0.359 0.000 1.166 461 D CA 0.167 54.320 54.000 0.256 0.000 0.881 461 D CB 1.239 42.154 40.800 0.193 0.000 1.164 461 D HN 0.595 nan 8.370 nan 0.000 0.467 462 K N 3.113 123.657 120.400 0.241 0.000 2.152 462 K HA -0.112 4.135 4.320 -0.122 0.000 0.206 462 K C 1.654 178.398 176.600 0.239 0.000 1.048 462 K CA 0.985 57.425 56.287 0.255 0.000 0.933 462 K CB -0.584 31.994 32.500 0.130 0.000 0.721 462 K HN 0.521 nan 8.250 nan 0.000 0.447 463 A N 1.466 124.384 122.820 0.164 0.000 2.024 463 A HA -0.184 4.063 4.320 -0.122 0.000 0.220 463 A C 1.646 179.298 177.584 0.112 0.000 1.164 463 A CA 1.899 54.002 52.037 0.111 0.000 0.643 463 A CB -0.249 18.793 19.000 0.070 0.000 0.806 463 A HN 0.199 nan 8.150 nan 0.000 0.451 464 D N -1.553 118.951 120.400 0.174 0.000 2.162 464 D HA -0.013 4.554 4.640 -0.122 0.000 0.205 464 D C 1.571 177.920 176.300 0.082 0.000 0.964 464 D CA 0.681 54.767 54.000 0.145 0.000 0.847 464 D CB -0.424 40.516 40.800 0.233 0.000 0.988 464 D HN 0.431 nan 8.370 nan 0.000 0.480 465 F N 2.284 122.240 119.950 0.011 0.000 2.126 465 F HA -0.189 4.265 4.527 -0.120 0.000 0.299 465 F C 2.154 177.885 175.800 -0.115 0.000 1.096 465 F CA 1.363 59.274 58.000 -0.149 0.000 1.255 465 F CB 0.208 39.216 39.000 0.013 0.000 0.997 465 F HN -0.139 nan 8.300 nan 0.000 0.479 466 E N -0.678 119.632 120.200 0.183 0.000 2.110 466 E HA -0.161 4.115 4.350 -0.122 0.000 0.193 466 E C 2.189 178.780 176.600 -0.015 0.000 0.988 466 E CA 1.698 58.154 56.400 0.092 0.000 0.804 466 E CB -0.973 28.789 29.700 0.103 0.000 0.745 466 E HN 0.394 nan 8.360 nan 0.000 0.458 467 T N 2.233 116.758 114.554 -0.049 0.000 2.737 467 T HA -0.067 4.210 4.350 -0.122 0.000 0.265 467 T C 2.161 176.747 174.700 -0.190 0.000 1.038 467 T CA 0.758 62.819 62.100 -0.065 0.000 1.144 467 T CB -0.212 68.619 68.868 -0.061 0.000 0.866 467 T HN 0.079 nan 8.240 nan 0.000 0.434 468 L N 0.607 121.599 121.223 -0.385 0.000 2.046 468 L HA -0.154 4.113 4.340 -0.122 0.000 0.208 468 L C 2.895 179.238 176.870 -0.879 0.000 1.077 468 L CA 1.463 55.855 54.840 -0.746 0.000 0.747 468 L CB -0.565 40.992 42.059 -0.837 0.000 0.896 468 L HN 0.299 nan 8.230 nan 0.000 0.432 469 Q N -0.718 118.761 119.800 -0.535 0.000 2.020 469 Q HA -0.276 3.990 4.340 -0.122 0.000 0.202 469 Q C 2.238 178.141 176.000 -0.161 0.000 0.982 469 Q CA 2.047 57.677 55.803 -0.288 0.000 0.838 469 Q CB -0.283 28.355 28.738 -0.167 0.000 0.899 469 Q HN 0.455 nan 8.270 nan 0.000 0.423 470 Y N 0.660 120.836 120.300 -0.207 0.000 2.165 470 Y HA -0.262 4.217 4.550 -0.119 0.000 0.286 470 Y C 2.170 177.978 175.900 -0.153 0.000 1.155 470 Y CA 2.133 60.155 58.100 -0.130 0.000 1.164 470 Y CB -0.559 37.842 38.460 -0.098 0.000 0.978 470 Y HN 0.068 nan 8.280 nan 0.000 0.513 471 T N 0.950 115.312 114.554 -0.321 0.000 2.708 471 T HA -0.160 4.117 4.350 -0.122 0.000 0.266 471 T C 1.530 176.006 174.700 -0.372 0.000 1.037 471 T CA 1.765 63.617 62.100 -0.413 0.000 1.146 471 T CB -0.603 67.983 68.868 -0.471 0.000 0.865 471 T HN 0.268 nan 8.240 nan 0.000 0.435 472 F N 1.524 121.306 119.950 -0.279 0.000 2.126 472 F HA 0.001 4.457 4.527 -0.120 0.000 0.299 472 F C 2.487 178.138 175.800 -0.249 0.000 1.096 472 F CA 0.505 58.332 58.000 -0.289 0.000 1.255 472 F CB -1.031 37.800 39.000 -0.283 0.000 0.997 472 F HN 0.247 nan 8.300 nan 0.000 0.479 473 E N 0.169 120.331 120.200 -0.064 0.000 2.058 473 E HA -0.279 3.998 4.350 -0.122 0.000 0.194 473 E C 2.436 178.952 176.600 -0.139 0.000 0.997 473 E CA 1.299 57.643 56.400 -0.093 0.000 0.801 473 E CB -0.029 29.614 29.700 -0.094 0.000 0.746 473 E HN 0.059 nan 8.360 nan 0.000 0.450 474 R N 0.222 120.555 120.500 -0.278 0.000 2.081 474 R HA -0.081 4.186 4.340 -0.122 0.000 0.235 474 R C 2.230 178.508 176.300 -0.036 0.000 1.131 474 R CA 1.715 57.676 56.100 -0.232 0.000 0.960 474 R CB -0.295 29.722 30.300 -0.471 0.000 0.856 474 R HN 0.269 nan 8.270 nan 0.000 0.436 475 M N 0.035 119.619 119.600 -0.027 0.000 2.108 475 M HA -0.195 4.212 4.480 -0.122 0.000 0.261 475 M C 1.995 178.350 176.300 0.091 0.000 1.066 475 M CA 1.887 57.222 55.300 0.058 0.000 1.107 475 M CB -0.188 32.201 32.600 -0.352 0.000 1.356 475 M HN 0.055 nan 8.290 nan 0.000 0.406 476 K N 0.093 120.486 120.400 -0.011 0.000 2.025 476 K HA -0.146 4.101 4.320 -0.122 0.000 0.207 476 K C 1.844 178.465 176.600 0.034 0.000 1.049 476 K CA 1.434 57.724 56.287 0.005 0.000 0.933 476 K CB -0.241 32.239 32.500 -0.032 0.000 0.714 476 K HN 0.419 nan 8.250 nan 0.000 0.438 477 E N 0.680 120.890 120.200 0.017 0.000 2.070 477 E HA -0.173 4.104 4.350 -0.122 0.000 0.197 477 E C 2.172 178.796 176.600 0.039 0.000 1.004 477 E CA 1.603 58.013 56.400 0.016 0.000 0.805 477 E CB -0.028 29.672 29.700 -0.001 0.000 0.744 477 E HN 0.155 nan 8.360 nan 0.000 0.451 478 S N 0.593 116.347 115.700 0.089 0.000 2.368 478 S HA -0.163 4.234 4.470 -0.122 0.000 0.225 478 S C 2.128 176.766 174.600 0.064 0.000 1.030 478 S CA 0.919 59.181 58.200 0.102 0.000 0.999 478 S CB -0.261 63.064 63.200 0.207 0.000 0.844 478 S HN 0.403 nan 8.310 nan 0.000 0.459 479 A N 2.251 125.160 122.820 0.149 0.000 1.883 479 A HA -0.194 4.053 4.320 -0.122 0.000 0.217 479 A C 1.850 179.414 177.584 -0.034 0.000 1.186 479 A CA 1.849 53.928 52.037 0.070 0.000 0.624 479 A CB -0.737 18.396 19.000 0.221 0.000 0.822 479 A HN 0.368 nan 8.150 nan 0.000 0.444 480 D N -0.247 120.151 120.400 -0.004 0.000 2.149 480 D HA -0.059 4.507 4.640 -0.122 0.000 0.201 480 D C 1.903 178.178 176.300 -0.042 0.000 0.972 480 D CA 1.030 55.017 54.000 -0.022 0.000 0.835 480 D CB -0.280 40.518 40.800 -0.004 0.000 0.966 480 D HN 0.529 nan 8.370 nan 0.000 0.476 481 I N 0.617 121.164 120.570 -0.038 0.000 2.252 481 I HA -0.215 3.882 4.170 -0.122 0.000 0.245 481 I C 2.446 178.514 176.117 -0.083 0.000 1.102 481 I CA 0.599 61.870 61.300 -0.049 0.000 1.385 481 I CB -0.111 37.869 38.000 -0.034 0.000 1.064 481 I HN -0.043 nan 8.210 nan 0.000 0.414 482 L N 0.161 121.313 121.223 -0.118 0.000 2.017 482 L HA -0.242 4.025 4.340 -0.122 0.000 0.208 482 L C 2.593 179.352 176.870 -0.185 0.000 1.073 482 L CA 1.403 56.134 54.840 -0.181 0.000 0.745 482 L CB -0.588 41.295 42.059 -0.295 0.000 0.894 482 L HN 0.258 nan 8.230 nan 0.000 0.432 483 L N -0.897 120.214 121.223 -0.188 0.000 2.051 483 L HA -0.282 3.985 4.340 -0.122 0.000 0.214 483 L C 2.266 179.069 176.870 -0.111 0.000 1.076 483 L CA 1.339 56.075 54.840 -0.173 0.000 0.758 483 L CB -0.304 41.661 42.059 -0.157 0.000 0.890 483 L HN 0.400 nan 8.230 nan 0.000 0.433 484 M N -1.241 118.308 119.600 -0.085 0.000 2.431 484 M HA 0.079 4.486 4.480 -0.122 0.000 0.237 484 M C 0.529 176.791 176.300 -0.063 0.000 1.130 484 M CA 0.109 55.373 55.300 -0.060 0.000 1.002 484 M CB -0.961 31.614 32.600 -0.042 0.000 1.524 484 M HN 0.179 nan 8.290 nan 0.000 0.482 485 N N 1.786 120.438 118.700 -0.080 0.000 2.520 485 N HA 0.049 4.716 4.740 -0.122 0.000 0.273 485 N C 0.430 175.897 175.510 -0.073 0.000 1.155 485 N CA 0.746 53.750 53.050 -0.077 0.000 0.967 485 N CB 1.307 39.737 38.487 -0.094 0.000 1.092 485 N HN 0.204 nan 8.380 nan 0.000 0.457 486 T N -0.602 113.915 114.554 -0.061 0.000 3.091 486 T HA 0.108 4.385 4.350 -0.122 0.000 0.277 486 T C 1.111 175.776 174.700 -0.057 0.000 0.996 486 T CA -0.332 61.734 62.100 -0.056 0.000 0.897 486 T CB 0.172 69.014 68.868 -0.043 0.000 1.109 486 T HN 0.637 nan 8.240 nan 0.000 0.534 487 E N 1.878 122.040 120.200 -0.064 0.000 2.107 487 E HA -0.056 4.221 4.350 -0.122 0.000 0.191 487 E C 0.538 177.094 176.600 -0.074 0.000 0.982 487 E CA 0.577 56.938 56.400 -0.064 0.000 0.809 487 E CB 0.185 29.847 29.700 -0.065 0.000 0.756 487 E HN 0.356 nan 8.360 nan 0.000 0.459 488 N N 0.253 118.900 118.700 -0.088 0.000 2.762 488 N HA 0.092 4.759 4.740 -0.122 0.000 0.252 488 N C -0.305 175.146 175.510 -0.099 0.000 1.269 488 N CA -0.129 52.860 53.050 -0.101 0.000 0.799 488 N CB 0.787 39.200 38.487 -0.123 0.000 1.173 488 N HN 0.019 nan 8.380 nan 0.000 0.516 489 K N 0.881 121.232 120.400 -0.083 0.000 2.057 489 K HA -0.066 4.181 4.320 -0.122 0.000 0.207 489 K C -0.999 175.555 176.600 -0.076 0.000 1.049 489 K CA 1.401 57.645 56.287 -0.073 0.000 0.931 489 K CB -0.440 32.027 32.500 -0.055 0.000 0.714 489 K HN 0.359 nan 8.250 nan 0.000 0.440 490 P HA -0.165 nan 4.420 nan 0.000 0.217 490 P C 1.353 178.595 177.300 -0.096 0.000 1.150 490 P CA 0.794 63.845 63.100 -0.082 0.000 0.832 490 P CB 0.070 31.709 31.700 -0.102 0.000 0.787 491 L N -0.635 120.514 121.223 -0.124 0.000 2.012 491 L HA -0.159 4.108 4.340 -0.122 0.000 0.210 491 L C 2.016 178.808 176.870 -0.131 0.000 1.073 491 L CA 2.046 56.803 54.840 -0.138 0.000 0.748 491 L CB -1.234 40.732 42.059 -0.156 0.000 0.891 491 L HN -0.156 nan 8.230 nan 0.000 0.431 492 I N -0.967 119.527 120.570 -0.128 0.000 2.226 492 I HA -0.214 3.883 4.170 -0.122 0.000 0.245 492 I C 2.614 178.670 176.117 -0.101 0.000 1.100 492 I CA 1.144 62.361 61.300 -0.138 0.000 1.374 492 I CB -1.477 36.445 38.000 -0.130 0.000 1.057 492 I HN 0.124 nan 8.210 nan 0.000 0.413 493 V N 1.060 120.935 119.914 -0.064 0.000 2.287 493 V HA -0.276 3.771 4.120 -0.122 0.000 0.248 493 V C 2.486 178.585 176.094 0.009 0.000 1.053 493 V CA 1.753 64.041 62.300 -0.020 0.000 1.027 493 V CB -0.716 31.104 31.823 -0.006 0.000 0.646 493 V HN 0.422 nan 8.190 nan 0.000 0.447 494 E N 0.254 120.447 120.200 -0.010 0.000 2.049 494 E HA -0.246 4.031 4.350 -0.122 0.000 0.198 494 E C 2.041 178.616 176.600 -0.041 0.000 1.007 494 E CA 2.102 58.494 56.400 -0.013 0.000 0.809 494 E CB -0.271 29.384 29.700 -0.075 0.000 0.749 494 E HN 0.830 nan 8.360 nan 0.000 0.450 495 I N -2.122 118.405 120.570 -0.071 0.000 3.728 495 I HA 0.067 4.164 4.170 -0.122 0.000 0.307 495 I C 1.851 178.014 176.117 0.077 0.000 1.276 495 I CA 0.316 61.609 61.300 -0.012 0.000 1.285 495 I CB 0.052 37.963 38.000 -0.149 0.000 1.038 495 I HN -0.138 nan 8.210 nan 0.000 0.445 496 T N 2.890 117.438 114.554 -0.010 0.000 2.653 496 T HA -0.081 4.196 4.350 -0.122 0.000 0.268 496 T C -0.379 174.300 174.700 -0.036 0.000 1.035 496 T CA 2.443 64.478 62.100 -0.108 0.000 1.154 496 T CB -1.107 67.712 68.868 -0.082 0.000 0.862 496 T HN 0.380 nan 8.240 nan 0.000 0.441 497 P HA -0.074 nan 4.420 nan 0.000 0.216 497 P C 1.319 178.595 177.300 -0.040 0.000 1.153 497 P CA 0.983 64.078 63.100 -0.008 0.000 0.848 497 P CB -0.202 31.326 31.700 -0.287 0.000 0.787 498 W N -0.607 120.726 121.300 0.055 0.000 2.402 498 W HA -0.072 4.523 4.660 -0.107 0.000 0.286 498 W C 1.961 178.621 176.519 0.234 0.000 1.221 498 W CA 0.637 58.077 57.345 0.158 0.000 1.257 498 W CB -0.968 28.625 29.460 0.222 0.000 1.120 498 W HN -0.184 nan 8.180 nan 0.000 0.551 499 V N -0.101 119.920 119.914 0.178 0.000 2.295 499 V HA -0.316 3.731 4.120 -0.122 0.000 0.246 499 V C 2.291 178.436 176.094 0.085 0.000 1.049 499 V CA 1.826 64.085 62.300 -0.068 0.000 1.024 499 V CB -1.092 30.457 31.823 -0.457 0.000 0.648 499 V HN 0.151 nan 8.190 nan 0.000 0.447 500 H N -0.268 118.848 119.070 0.076 0.000 2.319 500 H HA -0.214 4.359 4.556 0.028 0.000 0.299 500 H C 2.402 177.769 175.328 0.065 0.000 1.092 500 H CA 2.294 58.371 56.048 0.047 0.000 1.302 500 H CB -0.229 29.533 29.762 0.001 0.000 1.373 500 H HN 0.406 nan 8.280 nan 0.000 0.497 501 Q N 0.157 120.076 119.800 0.199 0.000 2.124 501 Q HA -0.113 4.153 4.340 -0.122 0.000 0.202 501 Q C 2.193 178.297 176.000 0.173 0.000 0.977 501 Q CA 1.081 56.953 55.803 0.115 0.000 0.850 501 Q CB -0.476 28.291 28.738 0.048 0.000 0.901 501 Q HN 0.350 nan 8.270 nan 0.000 0.429 502 F N 0.680 120.711 119.950 0.134 0.000 2.146 502 F HA -0.101 4.348 4.527 -0.130 0.000 0.298 502 F C 2.057 177.898 175.800 0.068 0.000 1.096 502 F CA 1.727 59.821 58.000 0.155 0.000 1.275 502 F CB -0.135 39.091 39.000 0.377 0.000 1.008 502 F HN 0.025 nan 8.300 nan 0.000 0.480 503 K N 0.420 120.933 120.400 0.188 0.000 2.057 503 K HA -0.168 4.079 4.320 -0.122 0.000 0.207 503 K C 2.146 178.687 176.600 -0.099 0.000 1.049 503 K CA 1.754 58.054 56.287 0.021 0.000 0.931 503 K CB -0.364 32.186 32.500 0.084 0.000 0.714 503 K HN 0.375 nan 8.250 nan 0.000 0.440 504 L N 0.562 121.739 121.223 -0.075 0.000 2.042 504 L HA -0.202 4.065 4.340 -0.122 0.000 0.210 504 L C 2.444 179.161 176.870 -0.256 0.000 1.076 504 L CA 1.703 56.449 54.840 -0.156 0.000 0.749 504 L CB -0.764 41.221 42.059 -0.124 0.000 0.893 504 L HN 0.317 nan 8.230 nan 0.000 0.432 505 T N 0.027 114.437 114.554 -0.241 0.000 2.635 505 T HA -0.264 4.013 4.350 -0.122 0.000 0.267 505 T C 1.998 176.410 174.700 -0.480 0.000 1.040 505 T CA 1.586 63.490 62.100 -0.325 0.000 1.156 505 T CB -0.386 68.332 68.868 -0.249 0.000 0.863 505 T HN 0.476 nan 8.240 nan 0.000 0.430 506 A N 1.576 124.116 122.820 -0.467 0.000 1.908 506 A HA -0.173 4.074 4.320 -0.122 0.000 0.218 506 A C 2.230 179.485 177.584 -0.549 0.000 1.181 506 A CA 1.801 53.537 52.037 -0.502 0.000 0.627 506 A CB -0.626 18.180 19.000 -0.322 0.000 0.818 506 A HN 0.619 nan 8.150 nan 0.000 0.445 507 E N -1.004 118.959 120.200 -0.395 0.000 2.085 507 E HA -0.230 4.047 4.350 -0.122 0.000 0.194 507 E C 2.061 178.364 176.600 -0.495 0.000 0.994 507 E CA 1.394 57.570 56.400 -0.373 0.000 0.801 507 E CB -0.284 29.243 29.700 -0.288 0.000 0.743 507 E HN 0.734 nan 8.360 nan 0.000 0.453 508 M N 0.609 119.889 119.600 -0.532 0.000 2.086 508 M HA -0.131 4.275 4.480 -0.122 0.000 0.261 508 M C 2.281 178.205 176.300 -0.627 0.000 1.067 508 M CA 2.042 57.008 55.300 -0.557 0.000 1.116 508 M CB -0.372 31.921 32.600 -0.510 0.000 1.348 508 M HN 0.171 nan 8.290 nan 0.000 0.407 509 G N 0.109 108.352 108.800 -0.928 0.000 2.529 509 G HA2 -0.286 3.601 3.960 -0.122 0.000 0.219 509 G HA3 -0.286 3.601 3.960 -0.122 0.000 0.219 509 G C 1.226 175.597 174.900 -0.881 0.000 1.177 509 G CA 1.347 45.592 45.100 -1.425 0.000 0.773 509 G HN 0.619 nan 8.290 nan 0.000 0.573 510 E N 0.153 119.926 120.200 -0.713 0.000 2.097 510 E HA -0.148 4.129 4.350 -0.122 0.000 0.196 510 E C 2.539 179.015 176.600 -0.206 0.000 1.000 510 E CA 1.150 57.389 56.400 -0.269 0.000 0.804 510 E CB -0.046 29.540 29.700 -0.190 0.000 0.740 510 E HN 0.397 nan 8.360 nan 0.000 0.454 511 E N 0.295 120.322 120.200 -0.288 0.000 2.152 511 E HA -0.107 4.169 4.350 -0.122 0.000 0.192 511 E C 2.321 178.821 176.600 -0.167 0.000 0.983 511 E CA 0.533 56.793 56.400 -0.233 0.000 0.818 511 E CB -0.134 29.346 29.700 -0.366 0.000 0.758 511 E HN 0.138 nan 8.360 nan 0.000 0.467 512 V N 1.701 121.499 119.914 -0.193 0.000 2.358 512 V HA -0.215 3.831 4.120 -0.122 0.000 0.246 512 V C 2.479 178.548 176.094 -0.041 0.000 1.047 512 V CA 1.264 63.516 62.300 -0.079 0.000 1.035 512 V CB -0.510 31.268 31.823 -0.075 0.000 0.658 512 V HN 0.209 nan 8.190 nan 0.000 0.452 513 L N -0.582 120.584 121.223 -0.095 0.000 2.201 513 L HA -0.162 4.105 4.340 -0.122 0.000 0.212 513 L C 2.504 179.492 176.870 0.196 0.000 1.105 513 L CA 1.437 56.247 54.840 -0.049 0.000 0.775 513 L CB -0.609 41.267 42.059 -0.305 0.000 0.913 513 L HN 0.319 nan 8.230 nan 0.000 0.440 514 K N -0.153 120.334 120.400 0.144 0.000 2.097 514 K HA -0.102 4.145 4.320 -0.122 0.000 0.205 514 K C 2.146 178.929 176.600 0.306 0.000 1.050 514 K CA 1.199 57.643 56.287 0.261 0.000 0.938 514 K CB -0.103 32.536 32.500 0.233 0.000 0.718 514 K HN 0.237 nan 8.250 nan 0.000 0.442 515 M N 0.397 120.092 119.600 0.158 0.000 2.159 515 M HA -0.178 4.228 4.480 -0.122 0.000 0.263 515 M C 2.134 178.680 176.300 0.411 0.000 1.063 515 M CA 1.290 56.690 55.300 0.167 0.000 1.110 515 M CB -0.206 32.334 32.600 -0.099 0.000 1.374 515 M HN -0.055 nan 8.290 nan 0.000 0.411 516 V N 0.225 120.338 119.914 0.331 0.000 2.261 516 V HA -0.253 3.794 4.120 -0.122 0.000 0.246 516 V C 1.848 178.202 176.094 0.433 0.000 1.047 516 V CA 1.874 64.400 62.300 0.378 0.000 1.015 516 V CB -0.648 31.311 31.823 0.227 0.000 0.642 516 V HN 0.465 nan 8.190 nan 0.000 0.446 517 E N 0.487 120.911 120.200 0.373 0.000 2.516 517 E HA 0.035 4.312 4.350 -0.122 0.000 0.199 517 E C 1.297 178.070 176.600 0.289 0.000 1.069 517 E CA 0.179 56.744 56.400 0.275 0.000 0.876 517 E CB -0.295 29.541 29.700 0.227 0.000 0.843 517 E HN 0.630 nan 8.360 nan 0.000 0.530 518 G N 2.369 111.415 108.800 0.410 0.000 2.215 518 G HA2 -0.255 3.632 3.960 -0.122 0.000 0.266 518 G HA3 -0.255 3.632 3.960 -0.122 0.000 0.266 518 G C 0.937 176.045 174.900 0.346 0.000 0.831 518 G CA 0.172 45.568 45.100 0.494 0.000 1.010 518 G HN 0.344 nan 8.290 nan 0.000 0.346 519 R N 2.245 122.883 120.500 0.231 0.000 2.066 519 R HA 0.033 4.300 4.340 -0.122 0.000 0.224 519 R C 0.836 177.237 176.300 0.169 0.000 1.122 519 R CA 1.026 57.193 56.100 0.112 0.000 0.974 519 R CB -0.129 30.132 30.300 -0.066 0.000 0.871 519 R HN 0.656 nan 8.270 nan 0.000 0.435 520 N N -0.823 118.018 118.700 0.234 0.000 2.629 520 N HA 0.033 4.699 4.740 -0.122 0.000 0.279 520 N C 0.025 175.724 175.510 0.315 0.000 1.344 520 N CA -0.888 52.311 53.050 0.247 0.000 0.789 520 N CB 1.483 40.077 38.487 0.179 0.000 1.508 520 N HN 0.052 nan 8.380 nan 0.000 0.516 521 E N -0.322 120.018 120.200 0.233 0.000 2.107 521 E HA -0.190 4.087 4.350 -0.122 0.000 0.191 521 E C 1.254 177.964 176.600 0.185 0.000 0.982 521 E CA 1.586 58.070 56.400 0.140 0.000 0.809 521 E CB -0.022 29.593 29.700 -0.143 0.000 0.756 521 E HN 0.661 nan 8.360 nan 0.000 0.459 522 S N -0.409 115.393 115.700 0.170 0.000 2.357 522 S HA -0.208 4.189 4.470 -0.122 0.000 0.221 522 S C 2.084 176.790 174.600 0.177 0.000 1.031 522 S CA 0.895 59.181 58.200 0.143 0.000 0.982 522 S CB -0.835 62.437 63.200 0.119 0.000 0.853 522 S HN 0.505 nan 8.310 nan 0.000 0.458 523 Y N 1.555 121.927 120.300 0.120 0.000 2.081 523 Y HA -0.173 4.305 4.550 -0.120 0.000 0.280 523 Y C 2.112 178.097 175.900 0.141 0.000 1.163 523 Y CA 1.943 60.114 58.100 0.119 0.000 1.135 523 Y CB -0.843 37.695 38.460 0.130 0.000 0.970 523 Y HN 0.350 nan 8.280 nan 0.000 0.498 524 F N -0.002 120.049 119.950 0.169 0.000 2.161 524 F HA -0.276 4.180 4.527 -0.119 0.000 0.300 524 F C 1.855 177.577 175.800 -0.129 0.000 1.089 524 F CA 1.733 59.750 58.000 0.029 0.000 1.282 524 F CB -0.334 38.710 39.000 0.072 0.000 1.010 524 F HN 0.052 nan 8.300 nan 0.000 0.485 525 L N -0.384 120.899 121.223 0.100 0.000 2.156 525 L HA -0.118 4.149 4.340 -0.122 0.000 0.208 525 L C 2.555 179.410 176.870 -0.026 0.000 1.095 525 L CA 0.921 55.757 54.840 -0.006 0.000 0.770 525 L CB -0.547 41.517 42.059 0.009 0.000 0.914 525 L HN 0.036 nan 8.230 nan 0.000 0.439 526 R N -0.086 120.363 120.500 -0.084 0.000 2.066 526 R HA -0.117 4.150 4.340 -0.122 0.000 0.232 526 R C 2.343 178.542 176.300 -0.170 0.000 1.131 526 R CA 0.973 56.996 56.100 -0.128 0.000 0.955 526 R CB -0.097 30.095 30.300 -0.180 0.000 0.851 526 R HN 0.163 nan 8.270 nan 0.000 0.432 527 K N 0.136 120.353 120.400 -0.305 0.000 2.063 527 K HA -0.207 4.040 4.320 -0.122 0.000 0.208 527 K C 1.962 178.450 176.600 -0.186 0.000 1.048 527 K CA 1.435 57.553 56.287 -0.282 0.000 0.928 527 K CB -0.649 31.614 32.500 -0.394 0.000 0.713 527 K HN 0.285 nan 8.250 nan 0.000 0.442 528 Y N 2.264 122.350 120.300 -0.356 0.000 2.165 528 Y HA -0.231 4.248 4.550 -0.118 0.000 0.286 528 Y C 1.732 177.591 175.900 -0.069 0.000 1.155 528 Y CA 1.867 59.837 58.100 -0.217 0.000 1.164 528 Y CB -0.415 37.845 38.460 -0.332 0.000 0.978 528 Y HN 0.206 nan 8.280 nan 0.000 0.513 529 N N -1.555 117.143 118.700 -0.003 0.000 2.216 529 N HA -0.188 4.479 4.740 -0.122 0.000 0.183 529 N C 1.804 177.262 175.510 -0.087 0.000 1.017 529 N CA 0.867 53.884 53.050 -0.055 0.000 0.861 529 N CB -0.355 38.144 38.487 0.021 0.000 0.986 529 N HN 0.508 nan 8.380 nan 0.000 0.428 530 H N 0.385 119.337 119.070 -0.197 0.000 2.321 530 H HA -0.079 4.402 4.556 -0.126 0.000 0.300 530 H C 1.945 177.110 175.328 -0.271 0.000 1.087 530 H CA 1.072 56.993 56.048 -0.211 0.000 1.319 530 H CB 0.170 29.812 29.762 -0.200 0.000 1.379 530 H HN -0.019 nan 8.280 nan 0.000 0.501 531 V N 1.537 121.278 119.914 -0.288 0.000 2.282 531 V HA -0.299 3.748 4.120 -0.122 0.000 0.249 531 V C 2.422 178.224 176.094 -0.486 0.000 1.057 531 V CA 1.856 63.877 62.300 -0.465 0.000 1.032 531 V CB -0.386 31.138 31.823 -0.498 0.000 0.645 531 V HN 0.417 nan 8.190 nan 0.000 0.447 532 K N 0.364 120.497 120.400 -0.445 0.000 2.057 532 K HA -0.100 4.147 4.320 -0.122 0.000 0.207 532 K C 2.303 178.751 176.600 -0.254 0.000 1.049 532 K CA 1.647 57.711 56.287 -0.371 0.000 0.931 532 K CB -0.913 31.393 32.500 -0.324 0.000 0.714 532 K HN 0.501 nan 8.250 nan 0.000 0.440 533 A N 1.548 124.259 122.820 -0.182 0.000 1.877 533 A HA -0.122 4.125 4.320 -0.122 0.000 0.216 533 A C 2.391 179.876 177.584 -0.165 0.000 1.186 533 A CA 1.267 53.231 52.037 -0.122 0.000 0.620 533 A CB -0.693 18.280 19.000 -0.045 0.000 0.822 533 A HN 0.185 nan 8.150 nan 0.000 0.443 534 L N -0.793 120.301 121.223 -0.216 0.000 2.046 534 L HA -0.276 3.991 4.340 -0.122 0.000 0.208 534 L C 2.926 179.578 176.870 -0.363 0.000 1.077 534 L CA 1.659 56.330 54.840 -0.281 0.000 0.747 534 L CB -0.649 41.183 42.059 -0.378 0.000 0.896 534 L HN 0.496 nan 8.230 nan 0.000 0.432 535 Q N -0.382 119.141 119.800 -0.462 0.000 2.061 535 Q HA -0.293 3.973 4.340 -0.122 0.000 0.204 535 Q C 2.274 177.828 176.000 -0.743 0.000 0.984 535 Q CA 1.761 57.151 55.803 -0.688 0.000 0.846 535 Q CB -0.216 28.128 28.738 -0.657 0.000 0.902 535 Q HN 0.575 nan 8.270 nan 0.000 0.421 536 Q N 0.339 119.935 119.800 -0.340 0.000 2.096 536 Q HA -0.216 4.051 4.340 -0.122 0.000 0.204 536 Q C 2.117 178.093 176.000 -0.041 0.000 0.982 536 Q CA 1.336 57.093 55.803 -0.075 0.000 0.850 536 Q CB -0.029 28.697 28.738 -0.020 0.000 0.901 536 Q HN 0.445 nan 8.270 nan 0.000 0.422 537 Q N -0.194 119.534 119.800 -0.120 0.000 2.119 537 Q HA -0.104 4.163 4.340 -0.122 0.000 0.201 537 Q C 2.105 178.093 176.000 -0.020 0.000 0.972 537 Q CA 1.062 56.831 55.803 -0.056 0.000 0.847 537 Q CB -0.023 28.650 28.738 -0.108 0.000 0.903 537 Q HN 0.461 nan 8.270 nan 0.000 0.433 538 M N -0.380 119.119 119.600 -0.168 0.000 2.086 538 M HA -0.160 4.247 4.480 -0.122 0.000 0.261 538 M C 1.769 178.051 176.300 -0.031 0.000 1.067 538 M CA 1.402 56.603 55.300 -0.166 0.000 1.116 538 M CB -0.333 32.075 32.600 -0.321 0.000 1.348 538 M HN 0.145 nan 8.290 nan 0.000 0.407 539 F N -0.306 119.623 119.950 -0.034 0.000 2.126 539 F HA -0.254 4.198 4.527 -0.125 0.000 0.299 539 F C 2.438 178.233 175.800 -0.008 0.000 1.096 539 F CA 1.157 59.140 58.000 -0.028 0.000 1.255 539 F CB -1.624 37.362 39.000 -0.022 0.000 0.997 539 F HN 0.139 nan 8.300 nan 0.000 0.479 540 Y N 0.719 121.084 120.300 0.108 0.000 2.081 540 Y HA -0.263 4.176 4.550 -0.184 0.000 0.280 540 Y C 2.386 178.272 175.900 -0.023 0.000 1.163 540 Y CA 1.749 59.860 58.100 0.018 0.000 1.135 540 Y CB -0.715 37.733 38.460 -0.020 0.000 0.970 540 Y HN 0.024 nan 8.280 nan 0.000 0.498 541 I N 0.166 120.732 120.570 -0.007 0.000 2.208 541 I HA -0.324 3.773 4.170 -0.122 0.000 0.245 541 I C 2.125 178.126 176.117 -0.192 0.000 1.097 541 I CA 2.009 63.222 61.300 -0.145 0.000 1.363 541 I CB -0.543 37.420 38.000 -0.062 0.000 1.051 541 I HN 0.261 nan 8.210 nan 0.000 0.413 542 D N 0.102 120.442 120.400 -0.100 0.000 2.218 542 D HA -0.182 4.385 4.640 -0.122 0.000 0.204 542 D C 2.107 178.341 176.300 -0.111 0.000 0.976 542 D CA 1.076 55.022 54.000 -0.090 0.000 0.853 542 D CB 0.167 40.980 40.800 0.021 0.000 0.939 542 D HN 0.226 nan 8.370 nan 0.000 0.481 543 Q N -1.319 118.399 119.800 -0.138 0.000 2.384 543 Q HA 0.092 4.358 4.340 -0.122 0.000 0.207 543 Q C 1.662 177.528 176.000 -0.224 0.000 0.904 543 Q CA 1.062 56.773 55.803 -0.153 0.000 0.933 543 Q CB 0.920 29.587 28.738 -0.118 0.000 1.077 543 Q HN 0.509 nan 8.270 nan 0.000 0.522 544 T N -4.355 109.999 114.554 -0.333 0.000 2.964 544 T HA 0.240 4.517 4.350 -0.122 0.000 0.249 544 T C 0.990 175.541 174.700 -0.249 0.000 1.000 544 T CA -0.214 61.675 62.100 -0.352 0.000 0.992 544 T CB 0.339 68.824 68.868 -0.639 0.000 1.087 544 T HN -0.145 nan 8.240 nan 0.000 0.489 545 S N 2.897 118.450 115.700 -0.246 0.000 2.585 545 S HA 0.501 4.897 4.470 -0.122 0.000 0.277 545 S C 0.209 174.702 174.600 -0.178 0.000 1.241 545 S CA -0.387 57.692 58.200 -0.201 0.000 1.041 545 S CB 0.775 63.824 63.200 -0.252 0.000 0.987 545 S HN 0.622 nan 8.310 nan 0.000 0.512 546 N N 1.848 120.482 118.700 -0.111 0.000 2.714 546 N HA -0.164 4.503 4.740 -0.122 0.000 0.253 546 N C -0.716 174.780 175.510 -0.023 0.000 1.024 546 N CA 0.307 53.336 53.050 -0.035 0.000 0.726 546 N CB -0.723 37.719 38.487 -0.074 0.000 0.908 546 N HN 0.463 nan 8.380 nan 0.000 0.542 547 Q N 0.664 120.443 119.800 -0.035 0.000 3.247 547 Q HA 0.112 4.379 4.340 -0.122 0.000 0.326 547 Q C 0.181 176.165 176.000 -0.026 0.000 1.402 547 Q CA -0.157 55.620 55.803 -0.043 0.000 0.994 547 Q CB -0.783 27.916 28.738 -0.064 0.000 1.647 547 Q HN 0.772 nan 8.270 nan 0.000 0.523 548 N N -1.303 117.400 118.700 0.006 0.000 2.424 548 N HA 0.167 4.833 4.740 -0.122 0.000 0.257 548 N C -2.038 173.402 175.510 -0.117 0.000 1.250 548 N CA -1.173 51.878 53.050 0.002 0.000 0.946 548 N CB 0.466 39.024 38.487 0.117 0.000 1.175 548 N HN -0.155 nan 8.380 nan 0.000 0.477 549 P HA -0.041 nan 4.420 nan 0.000 0.230 549 P C -0.213 176.727 177.300 -0.601 0.000 1.158 549 P CA 1.156 63.898 63.100 -0.596 0.000 0.769 549 P CB -0.027 31.053 31.700 -1.034 0.000 0.807 550 Y N -1.524 118.790 120.300 0.023 0.000 2.583 550 Y HA 0.268 4.744 4.550 -0.122 0.000 0.270 550 Y C 0.877 176.798 175.900 0.035 0.000 1.113 550 Y CA 0.182 58.295 58.100 0.022 0.000 1.307 550 Y CB -0.449 38.023 38.460 0.021 0.000 1.369 550 Y HN -0.273 nan 8.280 nan 0.000 0.506 551 Q N 1.537 121.461 119.800 0.208 0.000 2.907 551 Q HA 0.311 4.578 4.340 -0.122 0.000 0.262 551 Q C -2.823 173.249 176.000 0.120 0.000 0.997 551 Q CA -2.204 53.690 55.803 0.152 0.000 0.797 551 Q CB 1.233 30.078 28.738 0.179 0.000 1.228 551 Q HN 0.076 nan 8.270 nan 0.000 0.466 552 P HA 0.334 nan 4.420 nan 0.000 0.269 552 P C 0.461 177.766 177.300 0.009 0.000 1.209 552 P CA 0.738 63.852 63.100 0.023 0.000 0.776 552 P CB 1.311 32.998 31.700 -0.021 0.000 0.876 553 G N 0.489 109.269 108.800 -0.034 0.000 2.396 553 G HA2 0.047 3.934 3.960 -0.122 0.000 0.254 553 G HA3 0.047 3.934 3.960 -0.122 0.000 0.254 553 G C -1.653 173.135 174.900 -0.188 0.000 1.248 553 G CA -0.409 44.629 45.100 -0.103 0.000 1.033 553 G HN 0.516 nan 8.290 nan 0.000 0.502 554 V N 1.614 121.379 119.914 -0.249 0.000 2.555 554 V HA 0.532 4.579 4.120 -0.122 0.000 0.283 554 V C -0.764 175.196 176.094 -0.224 0.000 1.020 554 V CA -1.049 60.954 62.300 -0.495 0.000 0.883 554 V CB 1.537 32.922 31.823 -0.730 0.000 1.030 554 V HN 0.756 nan 8.190 nan 0.000 0.448 555 K N 1.952 122.298 120.400 -0.090 0.000 2.207 555 K HA 0.865 5.112 4.320 -0.122 0.000 0.255 555 K C -0.384 176.237 176.600 0.034 0.000 0.941 555 K CA -0.564 55.662 56.287 -0.102 0.000 0.825 555 K CB 2.565 34.866 32.500 -0.331 0.000 1.119 555 K HN 0.627 nan 8.250 nan 0.000 0.430 556 T N -0.884 113.720 114.554 0.084 0.000 2.889 556 T HA 0.473 4.750 4.350 -0.122 0.000 0.315 556 T C -0.997 173.805 174.700 0.171 0.000 1.291 556 T CA 0.274 62.492 62.100 0.196 0.000 1.028 556 T CB 0.876 69.954 68.868 0.350 0.000 1.235 556 T HN 0.697 nan 8.240 nan 0.000 0.491 557 A N 1.778 124.726 122.820 0.213 0.000 2.704 557 A HA -0.167 4.080 4.320 -0.122 0.000 0.299 557 A C 1.293 178.957 177.584 0.133 0.000 1.507 557 A CA 2.091 54.245 52.037 0.194 0.000 0.776 557 A CB -2.667 16.420 19.000 0.144 0.000 1.027 557 A HN 1.625 nan 8.150 nan 0.000 0.475 558 T N -3.165 111.482 114.554 0.156 0.000 3.067 558 T HA 0.084 4.361 4.350 -0.122 0.000 0.257 558 T C 1.603 176.386 174.700 0.138 0.000 1.105 558 T CA 1.097 63.286 62.100 0.148 0.000 1.104 558 T CB -0.005 68.996 68.868 0.223 0.000 0.925 558 T HN 0.664 nan 8.240 nan 0.000 0.498 559 R N 0.286 120.872 120.500 0.143 0.000 2.066 559 R HA 0.133 4.400 4.340 -0.122 0.000 0.224 559 R C 1.686 178.047 176.300 0.101 0.000 1.122 559 R CA 1.145 57.317 56.100 0.120 0.000 0.974 559 R CB 0.093 30.464 30.300 0.119 0.000 0.871 559 R HN 0.357 nan 8.270 nan 0.000 0.435 560 V N -0.480 119.496 119.914 0.103 0.000 3.029 560 V HA 0.037 4.084 4.120 -0.122 0.000 0.230 560 V C 1.984 178.119 176.094 0.070 0.000 1.254 560 V CA 0.270 62.621 62.300 0.086 0.000 1.276 560 V CB 0.061 31.939 31.823 0.091 0.000 1.080 560 V HN 0.160 nan 8.190 nan 0.000 0.495 561 I N 0.457 121.064 120.570 0.062 0.000 2.133 561 I HA -0.182 3.915 4.170 -0.122 0.000 0.238 561 I C 2.568 178.703 176.117 0.029 0.000 1.074 561 I CA 1.552 62.875 61.300 0.040 0.000 1.342 561 I CB -0.298 37.697 38.000 -0.008 0.000 1.053 561 I HN 0.234 nan 8.210 nan 0.000 0.404 562 K N 1.256 121.666 120.400 0.017 0.000 2.032 562 K HA -0.136 4.111 4.320 -0.122 0.000 0.209 562 K C -0.674 175.931 176.600 0.008 0.000 1.048 562 K CA 1.835 58.113 56.287 -0.014 0.000 0.927 562 K CB -1.448 31.049 32.500 -0.005 0.000 0.712 562 K HN 0.120 nan 8.250 nan 0.000 0.441 563 P HA -0.130 nan 4.420 nan 0.000 0.216 563 P C 1.271 178.613 177.300 0.069 0.000 1.150 563 P CA 0.921 64.056 63.100 0.059 0.000 0.837 563 P CB -0.008 31.735 31.700 0.072 0.000 0.786 564 L N -0.824 120.443 121.223 0.073 0.000 2.017 564 L HA -0.144 4.123 4.340 -0.122 0.000 0.208 564 L C 2.143 179.065 176.870 0.087 0.000 1.073 564 L CA 1.862 56.760 54.840 0.097 0.000 0.745 564 L CB -1.091 41.023 42.059 0.092 0.000 0.894 564 L HN -0.143 nan 8.230 nan 0.000 0.432 565 I N -0.188 120.401 120.570 0.032 0.000 2.142 565 I HA -0.275 3.822 4.170 -0.122 0.000 0.240 565 I C 2.109 178.231 176.117 0.008 0.000 1.078 565 I CA 1.438 62.717 61.300 -0.035 0.000 1.343 565 I CB -0.686 37.208 38.000 -0.176 0.000 1.046 565 I HN 0.284 nan 8.210 nan 0.000 0.405 566 D N 0.822 121.224 120.400 0.003 0.000 2.123 566 D HA -0.165 4.402 4.640 -0.122 0.000 0.196 566 D C 2.378 178.769 176.300 0.151 0.000 0.992 566 D CA 1.346 55.375 54.000 0.049 0.000 0.833 566 D CB -0.213 40.607 40.800 0.033 0.000 0.954 566 D HN 0.278 nan 8.370 nan 0.000 0.455 567 R N -0.195 120.384 120.500 0.131 0.000 2.073 567 R HA -0.007 4.259 4.340 -0.122 0.000 0.229 567 R C 2.335 178.740 176.300 0.174 0.000 1.120 567 R CA 1.347 57.535 56.100 0.145 0.000 0.967 567 R CB -0.404 29.972 30.300 0.126 0.000 0.862 567 R HN 0.107 nan 8.270 nan 0.000 0.436 568 T N 1.009 115.680 114.554 0.194 0.000 2.788 568 T HA -0.162 4.115 4.350 -0.122 0.000 0.268 568 T C 1.344 176.175 174.700 0.217 0.000 1.044 568 T CA 1.265 63.496 62.100 0.219 0.000 1.139 568 T CB -0.277 68.709 68.868 0.198 0.000 0.867 568 T HN 0.180 nan 8.240 nan 0.000 0.454 569 F N 2.259 122.237 119.950 0.046 0.000 2.084 569 F HA 0.042 4.499 4.527 -0.117 0.000 0.296 569 F C 2.473 178.333 175.800 0.100 0.000 1.111 569 F CA 1.040 59.065 58.000 0.040 0.000 1.224 569 F CB -0.717 38.265 39.000 -0.029 0.000 0.991 569 F HN 0.135 nan 8.300 nan 0.000 0.471 570 A N -0.268 122.652 122.820 0.166 0.000 1.908 570 A HA -0.194 4.053 4.320 -0.122 0.000 0.218 570 A C 2.182 179.760 177.584 -0.011 0.000 1.181 570 A CA 2.420 54.491 52.037 0.057 0.000 0.627 570 A CB -1.504 17.580 19.000 0.141 0.000 0.818 570 A HN 0.472 nan 8.150 nan 0.000 0.445 571 T N 0.073 114.621 114.554 -0.010 0.000 2.684 571 T HA -0.166 4.111 4.350 -0.122 0.000 0.267 571 T C 2.006 176.474 174.700 -0.388 0.000 1.036 571 T CA 2.239 64.207 62.100 -0.219 0.000 1.148 571 T CB -0.906 67.869 68.868 -0.155 0.000 0.863 571 T HN 0.716 nan 8.240 nan 0.000 0.436 572 V N 0.190 120.111 119.914 0.013 0.000 2.515 572 V HA -0.077 3.970 4.120 -0.122 0.000 0.250 572 V C 2.353 178.625 176.094 0.297 0.000 1.058 572 V CA 1.168 63.614 62.300 0.244 0.000 1.064 572 V CB -1.201 30.889 31.823 0.444 0.000 0.675 572 V HN 0.319 nan 8.190 nan 0.000 0.461 573 V N 0.580 120.571 119.914 0.127 0.000 2.270 573 V HA -0.231 3.816 4.120 -0.122 0.000 0.245 573 V C 2.673 178.881 176.094 0.191 0.000 1.043 573 V CA 2.518 64.903 62.300 0.142 0.000 1.014 573 V CB -0.859 30.885 31.823 -0.132 0.000 0.645 573 V HN 0.679 nan 8.190 nan 0.000 0.447 574 K N -0.224 120.253 120.400 0.128 0.000 2.049 574 K HA -0.288 3.959 4.320 -0.122 0.000 0.219 574 K C 2.115 178.907 176.600 0.319 0.000 1.056 574 K CA 2.517 58.916 56.287 0.185 0.000 0.946 574 K CB -0.415 32.176 32.500 0.151 0.000 0.723 574 K HN 0.321 nan 8.250 nan 0.000 0.453 575 F N 0.331 120.329 119.950 0.080 0.000 2.161 575 F HA -0.163 4.291 4.527 -0.121 0.000 0.300 575 F C 2.342 178.176 175.800 0.058 0.000 1.089 575 F CA 0.946 58.974 58.000 0.046 0.000 1.282 575 F CB -1.196 37.842 39.000 0.065 0.000 1.010 575 F HN 0.134 nan 8.300 nan 0.000 0.485 576 F N 1.375 121.400 119.950 0.125 0.000 2.084 576 F HA -0.213 4.243 4.527 -0.120 0.000 0.296 576 F C 2.216 178.051 175.800 0.059 0.000 1.111 576 F CA 1.616 59.592 58.000 -0.039 0.000 1.224 576 F CB -0.532 38.169 39.000 -0.498 0.000 0.991 576 F HN -0.158 nan 8.300 nan 0.000 0.471 577 N N 0.622 119.447 118.700 0.209 0.000 2.149 577 N HA -0.210 4.457 4.740 -0.122 0.000 0.188 577 N C 1.743 177.204 175.510 -0.081 0.000 1.019 577 N CA 1.611 54.676 53.050 0.025 0.000 0.857 577 N CB -0.597 37.911 38.487 0.035 0.000 0.997 577 N HN 0.541 nan 8.380 nan 0.000 0.426 578 Q N 0.630 120.407 119.800 -0.038 0.000 2.020 578 Q HA -0.099 4.167 4.340 -0.122 0.000 0.202 578 Q C 2.071 177.960 176.000 -0.186 0.000 0.982 578 Q CA 1.367 57.115 55.803 -0.093 0.000 0.838 578 Q CB -0.091 28.602 28.738 -0.076 0.000 0.899 578 Q HN 0.332 nan 8.270 nan 0.000 0.423 579 K N 0.058 120.309 120.400 -0.248 0.000 2.032 579 K HA -0.135 4.111 4.320 -0.122 0.000 0.209 579 K C 0.745 176.945 176.600 -0.667 0.000 1.048 579 K CA 1.329 57.327 56.287 -0.482 0.000 0.927 579 K CB 0.063 32.219 32.500 -0.574 0.000 0.712 579 K HN 0.105 nan 8.250 nan 0.000 0.441 580 F N 1.100 120.776 119.950 -0.457 0.000 2.668 580 F HA 0.255 4.709 4.527 -0.121 0.000 0.301 580 F C -0.165 175.450 175.800 -0.308 0.000 1.106 580 F CA -0.616 57.124 58.000 -0.432 0.000 1.289 580 F CB 0.307 38.889 39.000 -0.696 0.000 1.006 580 F HN 0.023 nan 8.300 nan 0.000 0.535 581 N N 0.816 119.431 118.700 -0.141 0.000 2.708 581 N HA -0.222 4.445 4.740 -0.122 0.000 0.251 581 N C 0.117 175.501 175.510 -0.211 0.000 1.017 581 N CA 0.791 53.752 53.050 -0.148 0.000 0.742 581 N CB -1.067 37.376 38.487 -0.074 0.000 0.943 581 N HN 0.383 nan 8.380 nan 0.000 0.539 582 A N -0.476 122.201 122.820 -0.238 0.000 2.261 582 A HA 0.658 4.905 4.320 -0.122 0.000 0.323 582 A C 0.052 177.371 177.584 -0.442 0.000 1.107 582 A CA -0.436 51.488 52.037 -0.188 0.000 0.883 582 A CB 0.634 19.657 19.000 0.039 0.000 1.251 582 A HN 0.439 nan 8.150 nan 0.000 0.502 583 H N -0.123 119.001 119.070 0.091 0.000 2.624 583 H HA 0.340 4.823 4.556 -0.122 0.000 0.233 583 H C -0.811 174.556 175.328 0.066 0.000 1.376 583 H CA -0.326 55.769 56.048 0.077 0.000 1.137 583 H CB 0.066 29.864 29.762 0.061 0.000 1.867 583 H HN 0.397 nan 8.280 nan 0.000 0.547 584 L N 1.000 122.280 121.223 0.095 0.000 2.456 584 L HA 0.012 4.279 4.340 -0.122 0.000 0.272 584 L C 0.603 177.538 176.870 0.107 0.000 1.189 584 L CA -0.011 54.824 54.840 -0.008 0.000 0.846 584 L CB 0.469 42.337 42.059 -0.318 0.000 1.111 584 L HN 0.435 nan 8.230 nan 0.000 0.475 585 D N 2.432 122.953 120.400 0.202 0.000 2.382 585 D HA 0.111 4.678 4.640 -0.122 0.000 0.259 585 D C 0.364 176.857 176.300 0.322 0.000 1.224 585 D CA 0.172 54.325 54.000 0.256 0.000 0.894 585 D CB 1.435 42.397 40.800 0.269 0.000 1.127 585 D HN 0.571 nan 8.370 nan 0.000 0.487 586 A N 3.296 126.254 122.820 0.230 0.000 2.460 586 A HA 0.182 4.429 4.320 -0.122 0.000 0.258 586 A C 0.957 178.719 177.584 0.298 0.000 1.300 586 A CA -0.145 52.018 52.037 0.211 0.000 0.913 586 A CB -0.429 18.629 19.000 0.095 0.000 1.031 586 A HN 0.577 nan 8.150 nan 0.000 0.512 587 T N -2.620 112.103 114.554 0.282 0.000 2.813 587 T HA 0.364 4.641 4.350 -0.122 0.000 0.297 587 T C 0.830 175.680 174.700 0.250 0.000 1.036 587 T CA 0.702 62.941 62.100 0.232 0.000 1.044 587 T CB 1.042 70.012 68.868 0.169 0.000 0.993 587 T HN 0.436 nan 8.240 nan 0.000 0.535 588 T N -2.914 111.740 114.554 0.167 0.000 3.087 588 T HA 0.251 4.528 4.350 -0.122 0.000 0.283 588 T C -0.024 174.742 174.700 0.110 0.000 0.956 588 T CA -0.397 61.747 62.100 0.074 0.000 0.894 588 T CB -0.015 68.902 68.868 0.082 0.000 1.160 588 T HN 0.855 nan 8.240 nan 0.000 0.532 589 D N 0.000 120.520 120.400 0.200 0.000 6.856 589 D HA 0.000 4.567 4.640 -0.122 0.000 0.175 589 D CA 0.000 54.200 54.000 0.333 0.000 0.868 589 D CB 0.000 40.893 40.800 0.155 0.000 0.688 589 D HN 0.000 nan 8.370 nan 0.000 0.683