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 3kgl_1_A DATA FIRST_RESID 1 DATA SEQUENCE QQFPNEcQLD QLNALEPSHV LKAEAGRIEV WDHHAPQLRc SGVSFVRYII DATA SEQUENCE ESKGLYLPSF FSTAKLSFVA KGEGLMGRVV PGcAETFQDS SVFQPGXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXGFR DMHQKVEHIR DATA SEQUENCE TGDTIATHPG VAQWFYNDGN QPLVIVSVLD LASHQNQLDR NPRPFYLAGN DATA SEQUENCE NPQGQVWIEG REQQPQKNIL NGFTPEVLAK AFKIDVRTAQ QLQNQQDNRG DATA SEQUENCE NIIRVQGPFS VIRPPLXXXX XXXXXXXXXX TIcSARCTDN LDDPSNADVY DATA SEQUENCE KPQLGYISTL NSYDLPILRF LRLSALRGSI RQNAMVLPQW NANANAVLYV DATA SEQUENCE TDGEAHVQVV NDNGDRVFDG QVSQGQLLSI PQGFSVVKRA TSEQFRWIEF DATA SEQUENCE KTNANAQINT LAGRTSVLRG LPLEVISNGY QISLEEARRV KFNTIETTLT DATA SEQUENCE HSS 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 1 Q CA 0.000 55.801 55.803 -0.004 0.000 1.022 1 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 2 Q N 0.418 120.166 119.800 -0.087 0.000 2.462 2 Q HA 0.436 4.773 4.340 -0.004 0.000 0.285 2 Q C -1.228 174.632 176.000 -0.233 0.000 1.035 2 Q CA -0.746 54.928 55.803 -0.215 0.000 0.799 2 Q CB 1.852 30.322 28.738 -0.447 0.000 1.452 2 Q HN 0.499 nan 8.270 nan 0.000 0.404 3 F N 0.435 120.416 119.950 0.051 0.000 2.623 3 F HA 0.107 4.632 4.527 -0.003 0.000 0.386 3 F C -1.411 174.413 175.800 0.039 0.000 1.068 3 F CA -1.076 56.952 58.000 0.046 0.000 1.265 3 F CB -0.371 38.660 39.000 0.051 0.000 1.026 3 F HN 0.343 nan 8.300 nan 0.000 0.568 4 P HA 0.195 nan 4.420 nan 0.000 0.254 4 P C -0.768 176.599 177.300 0.112 0.000 1.620 4 P CA -0.113 63.097 63.100 0.183 0.000 1.050 4 P CB 0.081 31.862 31.700 0.135 0.000 1.539 5 N N 0.631 119.375 118.700 0.074 0.000 2.546 5 N HA 0.029 4.767 4.740 -0.004 0.000 0.286 5 N C 0.908 176.456 175.510 0.063 0.000 1.259 5 N CA -0.194 52.890 53.050 0.056 0.000 0.939 5 N CB 0.052 38.556 38.487 0.028 0.000 1.243 5 N HN 0.307 nan 8.380 nan 0.000 0.511 6 E N -1.278 118.982 120.200 0.101 0.000 2.463 6 E HA -0.090 4.258 4.350 -0.004 0.000 0.201 6 E C 0.237 176.890 176.600 0.088 0.000 1.045 6 E CA 0.677 57.145 56.400 0.114 0.000 0.872 6 E CB -0.092 29.712 29.700 0.174 0.000 0.797 6 E HN 0.307 nan 8.360 nan 0.000 0.538 7 c N 0.640 119.291 118.600 0.086 0.000 3.125 7 c HA 0.181 4.748 4.570 -0.004 0.000 0.284 7 c C 0.588 174.764 174.090 0.143 0.000 1.386 7 c CA -0.673 55.714 56.329 0.096 0.000 1.763 7 c CB -0.535 42.023 42.510 0.080 0.000 2.377 7 c HN 0.275 nan 8.230 nan 0.000 0.620 8 Q N 1.820 121.683 119.800 0.104 0.000 2.641 8 Q HA 0.352 4.689 4.340 -0.004 0.000 0.225 8 Q C -0.880 175.181 176.000 0.101 0.000 1.309 8 Q CA 0.495 56.354 55.803 0.093 0.000 0.935 8 Q CB -0.488 28.282 28.738 0.054 0.000 1.557 8 Q HN 0.318 nan 8.270 nan 0.000 0.563 9 L N 2.382 123.700 121.223 0.158 0.000 2.307 9 L HA 0.373 4.711 4.340 -0.004 0.000 0.284 9 L C 0.621 177.569 176.870 0.130 0.000 1.023 9 L CA 0.234 55.172 54.840 0.162 0.000 0.810 9 L CB 1.920 44.129 42.059 0.249 0.000 1.231 9 L HN 0.455 nan 8.230 nan 0.000 0.423 10 D N 1.087 121.541 120.400 0.090 0.000 2.479 10 D HA 0.090 4.727 4.640 -0.004 0.000 0.221 10 D C 0.097 176.434 176.300 0.062 0.000 1.104 10 D CA 0.456 54.488 54.000 0.053 0.000 0.849 10 D CB 1.310 42.128 40.800 0.031 0.000 1.072 10 D HN 0.461 nan 8.370 nan 0.000 0.502 11 Q N 1.022 120.876 119.800 0.091 0.000 2.280 11 Q HA 0.362 4.699 4.340 -0.004 0.000 0.259 11 Q C -1.583 174.500 176.000 0.138 0.000 0.964 11 Q CA -0.365 55.500 55.803 0.103 0.000 0.844 11 Q CB 1.919 30.699 28.738 0.071 0.000 1.334 11 Q HN 0.010 nan 8.270 nan 0.000 0.423 12 L N 2.100 123.438 121.223 0.192 0.000 2.334 12 L HA 0.643 4.980 4.340 -0.004 0.000 0.270 12 L C -0.425 176.607 176.870 0.271 0.000 1.018 12 L CA -0.813 54.134 54.840 0.177 0.000 0.811 12 L CB 1.738 43.871 42.059 0.123 0.000 1.271 12 L HN 0.573 nan 8.230 nan 0.000 0.443 13 N N -0.143 118.657 118.700 0.168 0.000 2.235 13 N HA 0.575 5.313 4.740 -0.004 0.000 0.293 13 N C -0.982 174.576 175.510 0.081 0.000 1.083 13 N CA -0.770 52.415 53.050 0.224 0.000 0.801 13 N CB 2.029 40.614 38.487 0.163 0.000 1.559 13 N HN 0.769 nan 8.380 nan 0.000 0.472 14 A N 2.080 124.979 122.820 0.132 0.000 2.537 14 A HA 0.174 4.492 4.320 -0.004 0.000 0.260 14 A C -0.267 177.380 177.584 0.105 0.000 1.082 14 A CA 0.404 52.463 52.037 0.037 0.000 0.765 14 A CB -0.514 18.548 19.000 0.103 0.000 1.019 14 A HN 0.568 nan 8.150 nan 0.000 0.507 15 L N 2.560 123.868 121.223 0.141 0.000 2.334 15 L HA 0.606 4.943 4.340 -0.004 0.000 0.272 15 L C 0.433 177.596 176.870 0.488 0.000 1.020 15 L CA -0.407 54.607 54.840 0.291 0.000 0.812 15 L CB 1.689 43.968 42.059 0.367 0.000 1.264 15 L HN 0.822 nan 8.230 nan 0.000 0.439 16 E N 0.996 121.348 120.200 0.255 0.000 2.445 16 E HA 0.450 4.798 4.350 -0.004 0.000 0.273 16 E C -2.583 173.517 176.600 -0.833 0.000 0.961 16 E CA -2.032 54.315 56.400 -0.090 0.000 0.807 16 E CB 1.534 31.198 29.700 -0.061 0.000 1.362 16 E HN 0.284 nan 8.360 nan 0.000 0.453 17 P HA 0.012 nan 4.420 nan 0.000 0.268 17 P C -0.258 176.755 177.300 -0.477 0.000 1.208 17 P CA 0.410 62.894 63.100 -1.027 0.000 0.777 17 P CB 0.506 31.793 31.700 -0.687 0.000 0.875 18 S N -0.813 114.694 115.700 -0.322 0.000 2.578 18 S HA 0.137 4.605 4.470 -0.004 0.000 0.228 18 S C -0.057 174.204 174.600 -0.565 0.000 1.022 18 S CA -0.042 57.934 58.200 -0.373 0.000 0.967 18 S CB -0.124 62.858 63.200 -0.363 0.000 0.914 18 S HN 0.517 nan 8.310 nan 0.000 0.515 19 H N -0.331 118.740 119.070 0.002 0.000 2.996 19 H HA 0.521 5.075 4.556 -0.004 0.000 0.368 19 H C -1.505 173.847 175.328 0.040 0.000 1.185 19 H CA -0.523 55.563 56.048 0.064 0.000 1.160 19 H CB 1.665 31.530 29.762 0.173 0.000 1.820 19 H HN -0.111 nan 8.280 nan 0.000 0.547 20 V N 3.215 123.229 119.914 0.167 0.000 2.656 20 V HA 0.283 4.400 4.120 -0.004 0.000 0.307 20 V C -0.291 175.876 176.094 0.122 0.000 1.051 20 V CA -0.715 61.651 62.300 0.111 0.000 0.893 20 V CB 2.409 34.263 31.823 0.051 0.000 0.999 20 V HN 0.469 nan 8.190 nan 0.000 0.426 21 L N 4.992 126.282 121.223 0.113 0.000 2.283 21 L HA 0.512 4.850 4.340 -0.004 0.000 0.281 21 L C -0.036 176.873 176.870 0.065 0.000 1.033 21 L CA -0.494 54.405 54.840 0.098 0.000 0.848 21 L CB 0.921 43.046 42.059 0.109 0.000 1.226 21 L HN 0.523 nan 8.230 nan 0.000 0.429 22 K N 3.038 123.466 120.400 0.048 0.000 2.276 22 K HA 0.648 4.965 4.320 -0.004 0.000 0.285 22 K C -0.123 176.485 176.600 0.013 0.000 1.062 22 K CA -0.181 56.125 56.287 0.032 0.000 0.918 22 K CB 1.572 34.088 32.500 0.027 0.000 1.055 22 K HN 0.611 nan 8.250 nan 0.000 0.477 23 A N 2.079 124.904 122.820 0.009 0.000 2.330 23 A HA 0.197 4.514 4.320 -0.004 0.000 0.329 23 A C 1.166 178.745 177.584 -0.009 0.000 1.135 23 A CA -0.670 51.360 52.037 -0.013 0.000 0.817 23 A CB 1.007 19.991 19.000 -0.027 0.000 1.269 23 A HN 0.961 nan 8.150 nan 0.000 0.469 24 E N 0.584 120.772 120.200 -0.019 0.000 2.196 24 E HA -0.286 4.062 4.350 -0.004 0.000 0.222 24 E C 0.913 177.508 176.600 -0.008 0.000 1.072 24 E CA 2.410 58.801 56.400 -0.014 0.000 0.902 24 E CB -0.127 29.561 29.700 -0.020 0.000 0.780 24 E HN 0.824 nan 8.360 nan 0.000 0.467 25 A N -0.022 122.793 122.820 -0.008 0.000 2.674 25 A HA 0.595 4.913 4.320 -0.004 0.000 0.286 25 A C 0.098 177.683 177.584 0.003 0.000 0.980 25 A CA 0.270 52.303 52.037 -0.007 0.000 1.028 25 A CB 0.759 19.749 19.000 -0.015 0.000 1.199 25 A HN 0.460 nan 8.150 nan 0.000 0.499 26 G N 0.193 109.001 108.800 0.015 0.000 2.341 26 G HA2 0.488 4.445 3.960 -0.004 0.000 0.293 26 G HA3 0.488 4.445 3.960 -0.004 0.000 0.293 26 G C -1.285 173.642 174.900 0.046 0.000 1.298 26 G CA -0.373 44.747 45.100 0.033 0.000 0.868 26 G HN 1.043 nan 8.290 nan 0.000 0.540 27 R N -1.219 119.323 120.500 0.071 0.000 2.680 27 R HA 0.718 5.056 4.340 -0.004 0.000 0.269 27 R C -1.490 174.888 176.300 0.130 0.000 1.026 27 R CA -1.082 55.068 56.100 0.083 0.000 0.889 27 R CB 1.560 31.897 30.300 0.062 0.000 1.241 27 R HN 0.459 nan 8.270 nan 0.000 0.463 28 I N 1.911 122.569 120.570 0.147 0.000 2.307 28 I HA 0.219 4.386 4.170 -0.004 0.000 0.289 28 I C -0.214 175.979 176.117 0.127 0.000 1.021 28 I CA -0.379 61.044 61.300 0.204 0.000 1.224 28 I CB 1.568 39.714 38.000 0.242 0.000 1.376 28 I HN 0.495 nan 8.210 nan 0.000 0.470 29 E N 6.126 126.389 120.200 0.105 0.000 2.109 29 E HA 0.388 4.735 4.350 -0.004 0.000 0.278 29 E C -0.929 175.696 176.600 0.040 0.000 0.954 29 E CA -0.508 55.910 56.400 0.031 0.000 0.779 29 E CB 2.661 32.344 29.700 -0.028 0.000 1.093 29 E HN 0.370 nan 8.360 nan 0.000 0.401 30 V N 4.471 124.416 119.914 0.052 0.000 2.495 30 V HA 0.360 4.478 4.120 -0.004 0.000 0.298 30 V C -0.629 175.596 176.094 0.218 0.000 1.031 30 V CA -0.658 61.730 62.300 0.147 0.000 0.871 30 V CB 0.923 32.757 31.823 0.017 0.000 0.988 30 V HN 0.685 nan 8.190 nan 0.000 0.432 31 W N 2.880 124.293 121.300 0.189 0.000 2.161 31 W HA 0.280 4.937 4.660 -0.004 0.000 0.344 31 W C 0.038 176.705 176.519 0.247 0.000 1.262 31 W CA 0.093 57.562 57.345 0.207 0.000 1.270 31 W CB 1.318 30.905 29.460 0.212 0.000 1.126 31 W HN 0.670 nan 8.180 nan 0.000 0.598 32 D N 1.256 121.894 120.400 0.398 0.000 2.316 32 D HA -0.001 4.637 4.640 -0.004 0.000 0.245 32 D C 1.333 177.737 176.300 0.174 0.000 1.171 32 D CA 0.008 54.160 54.000 0.254 0.000 0.856 32 D CB 0.496 41.407 40.800 0.184 0.000 1.090 32 D HN 0.299 nan 8.370 nan 0.000 0.476 33 H N 2.377 121.509 119.070 0.104 0.000 2.551 33 H HA 0.028 4.582 4.556 -0.004 0.000 0.266 33 H C 0.440 175.754 175.328 -0.022 0.000 0.977 33 H CA 0.487 56.543 56.048 0.013 0.000 1.163 33 H CB -0.199 29.536 29.762 -0.044 0.000 1.381 33 H HN 0.579 nan 8.280 nan 0.000 0.581 34 H N 1.043 120.070 119.070 -0.072 0.000 2.551 34 H HA 0.370 4.924 4.556 -0.004 0.000 0.266 34 H C 1.006 176.377 175.328 0.072 0.000 0.977 34 H CA 0.182 56.246 56.048 0.027 0.000 1.163 34 H CB 0.357 30.109 29.762 -0.017 0.000 1.381 34 H HN 0.423 nan 8.280 nan 0.000 0.581 35 A N 1.812 124.733 122.820 0.168 0.000 2.520 35 A HA 0.064 4.381 4.320 -0.004 0.000 0.245 35 A C -1.293 176.367 177.584 0.127 0.000 1.072 35 A CA -1.109 51.011 52.037 0.139 0.000 0.761 35 A CB 0.296 19.377 19.000 0.135 0.000 1.004 35 A HN 0.111 nan 8.150 nan 0.000 0.499 36 P HA -0.278 nan 4.420 nan 0.000 0.216 36 P C 1.667 179.016 177.300 0.081 0.000 1.157 36 P CA 1.898 65.056 63.100 0.096 0.000 0.880 36 P CB 0.060 31.806 31.700 0.078 0.000 0.791 37 Q N -0.590 119.252 119.800 0.070 0.000 2.135 37 Q HA -0.181 4.157 4.340 -0.004 0.000 0.204 37 Q C 1.978 177.988 176.000 0.018 0.000 0.981 37 Q CA 1.474 57.300 55.803 0.038 0.000 0.856 37 Q CB -0.652 28.110 28.738 0.041 0.000 0.902 37 Q HN 0.235 nan 8.270 nan 0.000 0.425 38 L N -0.068 121.188 121.223 0.054 0.000 2.209 38 L HA -0.036 4.302 4.340 -0.004 0.000 0.207 38 L C 2.807 179.719 176.870 0.069 0.000 1.094 38 L CA 0.866 55.739 54.840 0.054 0.000 0.790 38 L CB -0.306 41.816 42.059 0.105 0.000 0.932 38 L HN 0.288 nan 8.230 nan 0.000 0.447 39 R N -0.322 120.238 120.500 0.100 0.000 2.081 39 R HA -0.236 4.101 4.340 -0.004 0.000 0.235 39 R C 2.594 178.945 176.300 0.085 0.000 1.131 39 R CA 2.026 58.199 56.100 0.122 0.000 0.960 39 R CB -0.708 29.698 30.300 0.176 0.000 0.856 39 R HN 0.451 nan 8.270 nan 0.000 0.436 40 c N 0.006 118.640 118.600 0.056 0.000 2.388 40 c HA -0.098 4.470 4.570 -0.004 0.000 0.277 40 c C 2.686 176.767 174.090 -0.016 0.000 1.210 40 c CA 1.812 58.151 56.329 0.016 0.000 1.743 40 c CB -1.066 41.426 42.510 -0.030 0.000 2.047 40 c HN 0.624 nan 8.230 nan 0.000 0.458 41 S N -0.341 115.334 115.700 -0.042 0.000 2.500 41 S HA 0.123 4.591 4.470 -0.004 0.000 0.239 41 S C 1.370 175.958 174.600 -0.019 0.000 0.989 41 S CA 1.267 59.436 58.200 -0.052 0.000 0.951 41 S CB -0.684 62.475 63.200 -0.069 0.000 0.759 41 S HN 1.380 nan 8.310 nan 0.000 0.523 42 G N 1.075 109.878 108.800 0.005 0.000 2.273 42 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.280 42 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.280 42 G C 0.056 174.952 174.900 -0.006 0.000 1.047 42 G CA 0.461 45.567 45.100 0.010 0.000 0.869 42 G HN 1.138 nan 8.290 nan 0.000 0.502 43 V N -4.149 115.765 119.914 -0.001 0.000 3.159 43 V HA 0.966 5.084 4.120 -0.004 0.000 0.308 43 V C 0.003 176.105 176.094 0.015 0.000 1.190 43 V CA -0.116 62.171 62.300 -0.021 0.000 1.037 43 V CB 1.725 33.526 31.823 -0.036 0.000 1.060 43 V HN 1.107 nan 8.190 nan 0.000 0.437 44 S N 0.671 116.362 115.700 -0.016 0.000 2.689 44 S HA 0.914 5.382 4.470 -0.004 0.000 0.306 44 S C -1.421 173.208 174.600 0.048 0.000 1.104 44 S CA -0.497 57.739 58.200 0.060 0.000 0.973 44 S CB 1.625 64.822 63.200 -0.005 0.000 1.121 44 S HN 1.029 nan 8.310 nan 0.000 0.523 45 F N 0.934 120.838 119.950 -0.078 0.000 2.613 45 F HA 0.781 5.306 4.527 -0.004 0.000 0.310 45 F C -0.879 174.946 175.800 0.041 0.000 1.085 45 F CA -0.424 57.443 58.000 -0.222 0.000 0.945 45 F CB 1.885 40.547 39.000 -0.564 0.000 1.298 45 F HN 0.492 nan 8.300 nan 0.000 0.455 46 V N 4.857 124.524 119.914 -0.412 0.000 3.120 46 V HA 0.627 4.744 4.120 -0.004 0.000 0.303 46 V C -1.969 173.935 176.094 -0.317 0.000 1.238 46 V CA -0.627 61.605 62.300 -0.113 0.000 1.008 46 V CB 2.302 33.963 31.823 -0.270 0.000 1.064 46 V HN 0.904 nan 8.190 nan 0.000 0.434 47 R N 4.389 124.876 120.500 -0.022 0.000 2.476 47 R HA 0.496 4.834 4.340 -0.004 0.000 0.305 47 R C -2.083 174.200 176.300 -0.028 0.000 0.965 47 R CA -0.522 55.525 56.100 -0.088 0.000 0.867 47 R CB 1.440 31.868 30.300 0.212 0.000 1.176 47 R HN 0.723 nan 8.270 nan 0.000 0.447 48 Y N 4.974 125.181 120.300 -0.155 0.000 2.336 48 Y HA 0.317 4.864 4.550 -0.004 0.000 0.335 48 Y C 0.574 176.423 175.900 -0.085 0.000 1.046 48 Y CA -1.004 57.011 58.100 -0.142 0.000 1.198 48 Y CB 0.911 39.177 38.460 -0.324 0.000 1.182 48 Y HN 0.347 nan 8.280 nan 0.000 0.502 49 I N 6.152 126.806 120.570 0.140 0.000 2.388 49 I HA 0.326 4.493 4.170 -0.004 0.000 0.281 49 I C -0.655 175.497 176.117 0.058 0.000 1.046 49 I CA -0.376 60.972 61.300 0.080 0.000 1.187 49 I CB 0.405 38.449 38.000 0.074 0.000 1.351 49 I HN 0.397 nan 8.210 nan 0.000 0.472 50 I N 5.158 125.747 120.570 0.031 0.000 2.315 50 I HA 0.260 4.428 4.170 -0.004 0.000 0.291 50 I C 0.806 176.910 176.117 -0.022 0.000 1.006 50 I CA -0.526 60.782 61.300 0.012 0.000 1.265 50 I CB 0.995 39.001 38.000 0.011 0.000 1.387 50 I HN 0.455 nan 8.210 nan 0.000 0.475 51 E N 3.162 123.347 120.200 -0.025 0.000 2.855 51 E HA 0.250 4.598 4.350 -0.004 0.000 0.259 51 E C -0.216 176.333 176.600 -0.085 0.000 1.390 51 E CA -0.235 56.141 56.400 -0.039 0.000 1.069 51 E CB 0.623 30.309 29.700 -0.023 0.000 1.172 51 E HN 0.455 nan 8.360 nan 0.000 0.668 52 S N -0.370 115.283 115.700 -0.078 0.000 2.562 52 S HA 0.147 4.614 4.470 -0.004 0.000 0.275 52 S C -0.021 174.502 174.600 -0.128 0.000 1.281 52 S CA -0.078 58.054 58.200 -0.113 0.000 1.045 52 S CB 0.146 63.307 63.200 -0.064 0.000 0.962 52 S HN 0.500 nan 8.310 nan 0.000 0.503 53 K N 0.275 120.547 120.400 -0.214 0.000 3.472 53 K HA -0.151 4.167 4.320 -0.004 0.000 0.315 53 K C 0.373 176.871 176.600 -0.169 0.000 1.320 53 K CA 0.847 57.046 56.287 -0.147 0.000 0.962 53 K CB -1.728 30.766 32.500 -0.011 0.000 1.251 53 K HN 0.684 nan 8.250 nan 0.000 0.443 54 G N 1.008 109.643 108.800 -0.275 0.000 2.339 54 G HA2 0.490 4.447 3.960 -0.004 0.000 0.287 54 G HA3 0.490 4.447 3.960 -0.004 0.000 0.287 54 G C -0.865 173.972 174.900 -0.105 0.000 1.163 54 G CA -0.534 44.483 45.100 -0.138 0.000 0.872 54 G HN 0.051 nan 8.290 nan 0.000 0.464 55 L N 3.363 124.612 121.223 0.043 0.000 2.313 55 L HA 0.567 4.905 4.340 -0.004 0.000 0.283 55 L C -1.001 175.969 176.870 0.166 0.000 1.013 55 L CA -1.533 53.405 54.840 0.164 0.000 0.816 55 L CB 1.368 43.493 42.059 0.110 0.000 1.236 55 L HN 0.529 nan 8.230 nan 0.000 0.419 56 Y N 5.660 126.050 120.300 0.151 0.000 2.383 56 Y HA 0.519 5.067 4.550 -0.004 0.000 0.344 56 Y C -0.690 175.323 175.900 0.189 0.000 0.986 56 Y CA -0.423 57.739 58.100 0.103 0.000 1.175 56 Y CB 0.649 39.136 38.460 0.045 0.000 1.152 56 Y HN 0.639 nan 8.280 nan 0.000 0.511 57 L N 8.851 129.886 121.223 -0.313 0.000 2.417 57 L HA 0.321 4.659 4.340 -0.004 0.000 0.268 57 L C -2.023 174.831 176.870 -0.027 0.000 1.158 57 L CA -2.179 52.596 54.840 -0.108 0.000 0.819 57 L CB 0.438 42.409 42.059 -0.146 0.000 1.112 57 L HN 0.581 nan 8.230 nan 0.000 0.458 58 P HA -0.052 nan 4.420 nan 0.000 0.258 58 P C -0.943 176.473 177.300 0.194 0.000 1.172 58 P CA 0.325 63.590 63.100 0.274 0.000 0.762 58 P CB 0.353 32.199 31.700 0.243 0.000 0.764 59 S N 3.349 119.189 115.700 0.233 0.000 2.549 59 S HA 0.845 5.312 4.470 -0.004 0.000 0.280 59 S C -0.865 173.776 174.600 0.069 0.000 1.109 59 S CA -0.828 57.370 58.200 -0.003 0.000 0.905 59 S CB 1.198 64.313 63.200 -0.142 0.000 1.081 59 S HN 0.270 nan 8.310 nan 0.000 0.477 60 F N 0.102 119.971 119.950 -0.135 0.000 2.561 60 F HA 0.933 5.458 4.527 -0.004 0.000 0.321 60 F C -1.560 174.096 175.800 -0.239 0.000 1.065 60 F CA -1.828 56.143 58.000 -0.048 0.000 0.934 60 F CB 0.638 39.648 39.000 0.018 0.000 1.215 60 F HN 0.519 nan 8.300 nan 0.000 0.471 61 F N 0.124 120.297 119.950 0.373 0.000 2.575 61 F HA 0.473 4.998 4.527 -0.004 0.000 0.330 61 F C 1.170 177.139 175.800 0.281 0.000 1.056 61 F CA -0.618 57.541 58.000 0.266 0.000 0.964 61 F CB 2.345 41.418 39.000 0.122 0.000 1.258 61 F HN 0.638 nan 8.300 nan 0.000 0.484 62 S N -1.793 114.163 115.700 0.427 0.000 2.556 62 S HA 0.157 4.624 4.470 -0.004 0.000 0.216 62 S C 0.263 174.959 174.600 0.159 0.000 0.970 62 S CA 0.322 58.682 58.200 0.268 0.000 0.912 62 S CB -0.733 62.641 63.200 0.290 0.000 0.790 62 S HN 0.748 nan 8.310 nan 0.000 0.504 63 T N -1.446 113.203 114.554 0.158 0.000 2.887 63 T HA 0.814 5.162 4.350 -0.004 0.000 0.292 63 T C -0.108 174.580 174.700 -0.020 0.000 1.087 63 T CA -0.505 61.613 62.100 0.030 0.000 1.009 63 T CB 1.307 70.171 68.868 -0.008 0.000 1.203 63 T HN 0.372 nan 8.240 nan 0.000 0.518 64 A N 1.121 123.880 122.820 -0.102 0.000 2.507 64 A HA 0.528 4.846 4.320 -0.004 0.000 0.235 64 A C 0.253 177.724 177.584 -0.187 0.000 1.070 64 A CA -0.147 51.804 52.037 -0.143 0.000 0.768 64 A CB -0.143 18.756 19.000 -0.169 0.000 1.011 64 A HN 0.931 nan 8.150 nan 0.000 0.502 65 K N 1.157 121.439 120.400 -0.197 0.000 2.507 65 K HA 0.596 4.913 4.320 -0.004 0.000 0.251 65 K C -1.955 174.494 176.600 -0.251 0.000 0.943 65 K CA -0.381 55.724 56.287 -0.304 0.000 0.794 65 K CB 1.339 33.642 32.500 -0.328 0.000 1.188 65 K HN 0.647 nan 8.250 nan 0.000 0.428 66 L N 3.138 124.144 121.223 -0.362 0.000 2.372 66 L HA 0.435 4.773 4.340 -0.004 0.000 0.274 66 L C -1.064 175.578 176.870 -0.380 0.000 0.988 66 L CA -0.365 54.317 54.840 -0.265 0.000 0.833 66 L CB 1.945 43.895 42.059 -0.182 0.000 1.236 66 L HN 0.664 nan 8.230 nan 0.000 0.410 67 S N 3.636 119.242 115.700 -0.157 0.000 2.593 67 S HA 0.628 5.096 4.470 -0.004 0.000 0.297 67 S C -1.023 173.641 174.600 0.107 0.000 1.112 67 S CA -0.401 57.700 58.200 -0.165 0.000 1.043 67 S CB 1.990 65.076 63.200 -0.190 0.000 1.054 67 S HN 0.422 nan 8.310 nan 0.000 0.516 68 F N 2.100 122.012 119.950 -0.063 0.000 2.556 68 F HA 0.568 5.092 4.527 -0.004 0.000 0.314 68 F C -0.737 174.988 175.800 -0.126 0.000 1.106 68 F CA -0.989 56.995 58.000 -0.026 0.000 0.911 68 F CB 1.279 40.311 39.000 0.052 0.000 1.190 68 F HN 0.398 nan 8.300 nan 0.000 0.448 69 V N 4.305 123.784 119.914 -0.725 0.000 2.348 69 V HA 0.739 4.856 4.120 -0.004 0.000 0.270 69 V C 0.269 176.055 176.094 -0.513 0.000 1.037 69 V CA 0.302 62.303 62.300 -0.497 0.000 0.872 69 V CB 0.207 31.785 31.823 -0.407 0.000 1.002 69 V HN 1.002 nan 8.190 nan 0.000 0.464 70 A N 4.594 127.367 122.820 -0.078 0.000 1.942 70 A HA 0.355 4.673 4.320 -0.004 0.000 0.209 70 A C 0.991 178.632 177.584 0.096 0.000 1.214 70 A CA 0.473 52.627 52.037 0.194 0.000 0.686 70 A CB 0.188 19.406 19.000 0.363 0.000 0.871 70 A HN 0.804 nan 8.150 nan 0.000 0.460 71 K N -0.872 119.547 120.400 0.032 0.000 2.507 71 K HA 0.545 4.863 4.320 -0.004 0.000 0.251 71 K C -0.200 176.386 176.600 -0.023 0.000 0.943 71 K CA -0.090 56.210 56.287 0.022 0.000 0.794 71 K CB 2.012 34.543 32.500 0.052 0.000 1.188 71 K HN 0.706 nan 8.250 nan 0.000 0.428 72 G N 1.697 110.481 108.800 -0.027 0.000 2.396 72 G HA2 -0.103 3.854 3.960 -0.004 0.000 0.254 72 G HA3 -0.103 3.854 3.960 -0.004 0.000 0.254 72 G C -1.535 173.331 174.900 -0.056 0.000 1.248 72 G CA -0.732 44.348 45.100 -0.034 0.000 1.033 72 G HN 0.619 nan 8.290 nan 0.000 0.502 73 E N -1.464 118.701 120.200 -0.058 0.000 2.390 73 E HA 0.610 4.958 4.350 -0.004 0.000 0.280 73 E C 0.064 176.610 176.600 -0.090 0.000 0.992 73 E CA 0.060 56.408 56.400 -0.086 0.000 0.790 73 E CB 1.738 31.453 29.700 0.025 0.000 1.248 73 E HN 1.965 nan 8.360 nan 0.000 0.447 74 G N 1.346 110.025 108.800 -0.203 0.000 2.364 74 G HA2 0.336 4.294 3.960 -0.004 0.000 0.286 74 G HA3 0.336 4.294 3.960 -0.004 0.000 0.286 74 G C -1.773 173.101 174.900 -0.042 0.000 1.241 74 G CA -0.845 44.228 45.100 -0.046 0.000 0.887 74 G HN 0.373 nan 8.290 nan 0.000 0.484 75 L N 0.606 121.940 121.223 0.184 0.000 2.330 75 L HA 0.843 5.181 4.340 -0.004 0.000 0.271 75 L C -0.007 176.862 176.870 -0.002 0.000 1.013 75 L CA -0.785 54.161 54.840 0.178 0.000 0.816 75 L CB 2.084 44.397 42.059 0.424 0.000 1.287 75 L HN 0.724 nan 8.230 nan 0.000 0.435 76 M N 1.073 120.496 119.600 -0.294 0.000 2.501 76 M HA 0.722 5.199 4.480 -0.004 0.000 0.293 76 M C -1.306 174.351 176.300 -1.071 0.000 1.192 76 M CA -0.378 54.470 55.300 -0.754 0.000 0.886 76 M CB 2.596 34.924 32.600 -0.452 0.000 1.710 76 M HN 0.591 nan 8.290 nan 0.000 0.457 77 G N 3.516 111.274 108.800 -1.736 0.000 2.683 77 G HA2 0.625 4.583 3.960 -0.004 0.000 0.299 77 G HA3 0.625 4.583 3.960 -0.004 0.000 0.299 77 G C -1.691 172.764 174.900 -0.743 0.000 1.432 77 G CA -0.618 43.750 45.100 -1.220 0.000 0.978 77 G HN 0.794 nan 8.290 nan 0.000 0.513 78 R N 0.848 121.155 120.500 -0.321 0.000 2.598 78 R HA 0.733 5.070 4.340 -0.004 0.000 0.279 78 R C -0.954 175.337 176.300 -0.015 0.000 0.984 78 R CA -0.527 55.486 56.100 -0.144 0.000 0.999 78 R CB 2.157 32.401 30.300 -0.092 0.000 1.114 78 R HN 0.309 nan 8.270 nan 0.000 0.493 79 V N 4.366 124.302 119.914 0.036 0.000 2.532 79 V HA 0.236 4.353 4.120 -0.004 0.000 0.294 79 V C -0.312 175.800 176.094 0.030 0.000 1.036 79 V CA -0.831 61.507 62.300 0.064 0.000 0.876 79 V CB 1.490 33.380 31.823 0.112 0.000 1.012 79 V HN 0.632 nan 8.190 nan 0.000 0.432 80 V N 3.280 123.199 119.914 0.010 0.000 3.134 80 V HA 0.731 4.848 4.120 -0.004 0.000 0.313 80 V C -2.358 173.713 176.094 -0.038 0.000 1.069 80 V CA -2.413 59.872 62.300 -0.025 0.000 1.048 80 V CB 1.070 32.870 31.823 -0.038 0.000 1.119 80 V HN 0.697 nan 8.190 nan 0.000 0.461 81 P HA 0.361 nan 4.420 nan 0.000 0.268 81 P C 0.406 177.671 177.300 -0.057 0.000 1.282 81 P CA 1.370 64.426 63.100 -0.073 0.000 0.880 81 P CB 0.174 31.815 31.700 -0.099 0.000 0.971 82 G N 2.403 111.179 108.800 -0.039 0.000 2.422 82 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.290 82 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.290 82 G C -0.103 174.782 174.900 -0.025 0.000 1.059 82 G CA -0.627 44.454 45.100 -0.032 0.000 1.242 82 G HN 0.630 nan 8.290 nan 0.000 0.520 83 c N 0.396 118.990 118.600 -0.010 0.000 2.779 83 c HA 0.946 5.513 4.570 -0.004 0.000 0.314 83 c C 1.204 175.301 174.090 0.011 0.000 1.231 83 c CA 0.102 56.430 56.329 -0.001 0.000 1.652 83 c CB 1.468 43.981 42.510 0.005 0.000 2.198 83 c HN 1.527 nan 8.230 nan 0.000 0.483 84 A N 1.183 124.010 122.820 0.011 0.000 2.409 84 A HA 0.352 4.670 4.320 -0.004 0.000 0.246 84 A C -0.143 177.460 177.584 0.032 0.000 1.099 84 A CA 0.111 52.156 52.037 0.013 0.000 0.789 84 A CB 0.101 19.104 19.000 0.005 0.000 1.053 84 A HN 0.874 nan 8.150 nan 0.000 0.503 85 E N -0.062 120.155 120.200 0.027 0.000 2.055 85 E HA 0.283 4.631 4.350 -0.004 0.000 0.274 85 E C 0.380 176.998 176.600 0.030 0.000 0.949 85 E CA -0.156 56.270 56.400 0.042 0.000 0.775 85 E CB 1.075 30.791 29.700 0.027 0.000 1.097 85 E HN 0.739 nan 8.360 nan 0.000 0.404 86 T N 2.796 117.399 114.554 0.082 0.000 2.623 86 T HA -0.043 4.304 4.350 -0.004 0.000 0.254 86 T C 0.703 175.404 174.700 0.002 0.000 1.075 86 T CA 0.717 62.858 62.100 0.069 0.000 1.177 86 T CB -0.216 68.772 68.868 0.201 0.000 0.869 86 T HN 0.239 nan 8.240 nan 0.000 0.403 87 F N 1.635 121.546 119.950 -0.065 0.000 2.440 87 F HA 0.386 4.910 4.527 -0.004 0.000 0.323 87 F C 0.878 176.501 175.800 -0.296 0.000 1.192 87 F CA -0.361 57.564 58.000 -0.125 0.000 1.252 87 F CB 0.520 39.504 39.000 -0.026 0.000 1.214 87 F HN 0.096 nan 8.300 nan 0.000 0.578 88 Q N 1.714 121.475 119.800 -0.066 0.000 2.345 88 Q HA 0.241 4.578 4.340 -0.004 0.000 0.275 88 Q C -2.195 173.797 176.000 -0.013 0.000 1.063 88 Q CA -0.734 55.002 55.803 -0.111 0.000 0.819 88 Q CB 2.281 30.974 28.738 -0.076 0.000 1.356 88 Q HN 0.545 nan 8.270 nan 0.000 0.418 89 D N 1.558 121.960 120.400 0.004 0.000 2.425 89 D HA 0.304 4.941 4.640 -0.004 0.000 0.240 89 D C -0.745 175.582 176.300 0.045 0.000 1.080 89 D CA -0.043 54.001 54.000 0.073 0.000 0.836 89 D CB 1.723 42.607 40.800 0.139 0.000 1.125 89 D HN 0.360 nan 8.370 nan 0.000 0.525 90 S N 1.018 116.737 115.700 0.032 0.000 2.563 90 S HA 0.094 4.561 4.470 -0.004 0.000 0.294 90 S C 0.442 175.033 174.600 -0.015 0.000 1.279 90 S CA -0.271 57.934 58.200 0.008 0.000 1.069 90 S CB 0.177 63.385 63.200 0.013 0.000 0.828 90 S HN 0.453 nan 8.310 nan 0.000 0.497 91 S N 2.947 118.612 115.700 -0.057 0.000 2.489 91 S HA 0.294 4.762 4.470 -0.004 0.000 0.277 91 S C 1.465 176.026 174.600 -0.065 0.000 1.230 91 S CA -0.645 57.483 58.200 -0.119 0.000 1.053 91 S CB 0.863 63.898 63.200 -0.275 0.000 0.955 91 S HN 0.602 nan 8.310 nan 0.000 0.488 92 V N 1.284 121.180 119.914 -0.030 0.000 2.232 92 V HA 0.013 4.131 4.120 -0.004 0.000 0.241 92 V C 0.789 176.958 176.094 0.126 0.000 1.036 92 V CA 0.852 63.174 62.300 0.038 0.000 0.993 92 V CB -1.163 30.682 31.823 0.037 0.000 0.639 92 V HN 0.806 nan 8.190 nan 0.000 0.459 93 F N 2.544 122.448 119.950 -0.077 0.000 2.388 93 F HA 0.486 5.010 4.527 -0.004 0.000 0.358 93 F C 0.272 176.014 175.800 -0.097 0.000 1.122 93 F CA -1.149 56.810 58.000 -0.069 0.000 1.056 93 F CB 1.069 40.038 39.000 -0.051 0.000 1.155 93 F HN 0.428 nan 8.300 nan 0.000 0.461 94 Q N 6.777 126.359 119.800 -0.365 0.000 2.390 94 Q HA 0.403 4.741 4.340 -0.004 0.000 0.249 94 Q C -2.474 173.326 176.000 -0.334 0.000 0.996 94 Q CA -1.622 53.995 55.803 -0.310 0.000 0.899 94 Q CB 1.349 29.946 28.738 -0.236 0.000 1.216 94 Q HN 0.436 nan 8.270 nan 0.000 0.465 95 P HA 0.480 nan 4.420 nan 0.000 0.186 95 P C -0.247 176.995 177.300 -0.097 0.000 1.117 95 P CA 0.164 63.167 63.100 -0.161 0.000 0.832 95 P CB 0.392 32.029 31.700 -0.105 0.000 0.713 139 F N 1.636 121.566 119.950 -0.032 0.000 2.375 139 F HA 0.848 5.373 4.527 -0.004 0.000 0.333 139 F C 0.792 176.580 175.800 -0.019 0.000 1.104 139 F CA -1.413 56.573 58.000 -0.024 0.000 1.149 139 F CB 0.868 39.857 39.000 -0.019 0.000 1.190 139 F HN 0.699 nan 8.300 nan 0.000 0.533 140 R N 1.697 122.363 120.500 0.275 0.000 2.740 140 R HA 0.483 4.821 4.340 -0.004 0.000 0.223 140 R C -1.359 175.161 176.300 0.366 0.000 1.362 140 R CA -0.599 55.617 56.100 0.193 0.000 1.069 140 R CB 0.107 30.455 30.300 0.080 0.000 1.739 140 R HN 0.722 nan 8.270 nan 0.000 0.533 141 D N 0.278 120.796 120.400 0.197 0.000 2.492 141 D HA 0.320 4.957 4.640 -0.004 0.000 0.248 141 D C -0.815 175.503 176.300 0.031 0.000 1.101 141 D CA -0.525 53.584 54.000 0.182 0.000 0.840 141 D CB 1.184 42.129 40.800 0.241 0.000 1.209 141 D HN 0.403 nan 8.370 nan 0.000 0.524 142 M N 3.393 123.002 119.600 0.015 0.000 2.233 142 M HA 0.411 4.889 4.480 -0.004 0.000 0.355 142 M C -0.527 175.786 176.300 0.021 0.000 1.191 142 M CA -0.350 54.915 55.300 -0.057 0.000 1.101 142 M CB 1.419 34.006 32.600 -0.021 0.000 1.592 142 M HN 0.478 nan 8.290 nan 0.000 0.461 143 H N -0.850 118.269 119.070 0.082 0.000 2.935 143 H HA 0.306 4.860 4.556 -0.004 0.000 0.297 143 H C -1.602 173.804 175.328 0.130 0.000 1.423 143 H CA -1.172 54.929 56.048 0.088 0.000 1.161 143 H CB 0.427 30.231 29.762 0.070 0.000 1.841 143 H HN 0.539 nan 8.280 nan 0.000 0.506 144 Q N 0.699 120.719 119.800 0.366 0.000 2.614 144 Q HA 0.012 4.350 4.340 -0.004 0.000 0.244 144 Q C -0.064 176.140 176.000 0.340 0.000 1.097 144 Q CA -0.002 55.967 55.803 0.275 0.000 0.986 144 Q CB 0.615 29.466 28.738 0.189 0.000 1.308 144 Q HN 0.684 nan 8.270 nan 0.000 0.546 145 K N 0.649 121.195 120.400 0.244 0.000 2.412 145 K HA 0.101 4.419 4.320 -0.004 0.000 0.284 145 K C -0.986 175.548 176.600 -0.110 0.000 1.046 145 K CA -0.122 56.276 56.287 0.186 0.000 0.999 145 K CB 0.382 33.036 32.500 0.256 0.000 0.941 145 K HN 0.229 nan 8.250 nan 0.000 0.474 146 V N 5.471 125.112 119.914 -0.455 0.000 2.348 146 V HA 0.114 4.231 4.120 -0.004 0.000 0.270 146 V C -0.124 175.718 176.094 -0.420 0.000 1.037 146 V CA -0.473 61.617 62.300 -0.350 0.000 0.872 146 V CB 0.802 32.526 31.823 -0.166 0.000 1.002 146 V HN 0.855 nan 8.190 nan 0.000 0.464 147 E N 3.009 123.065 120.200 -0.240 0.000 2.318 147 E HA 0.310 4.657 4.350 -0.004 0.000 0.265 147 E C -0.266 176.328 176.600 -0.010 0.000 1.069 147 E CA -0.520 55.819 56.400 -0.103 0.000 0.893 147 E CB 1.011 30.668 29.700 -0.072 0.000 1.076 147 E HN 0.678 nan 8.360 nan 0.000 0.414 148 H N 2.350 121.408 119.070 -0.020 0.000 2.467 148 H HA 0.416 4.970 4.556 -0.004 0.000 0.331 148 H C -0.767 174.571 175.328 0.016 0.000 1.120 148 H CA -0.666 55.395 56.048 0.022 0.000 1.270 148 H CB 0.651 30.441 29.762 0.046 0.000 1.466 148 H HN 0.469 nan 8.280 nan 0.000 0.504 149 I N 2.027 122.282 120.570 -0.525 0.000 2.608 149 I HA 0.588 4.755 4.170 -0.004 0.000 0.295 149 I C -0.982 174.875 176.117 -0.432 0.000 1.049 149 I CA -1.144 59.959 61.300 -0.328 0.000 1.063 149 I CB 2.370 40.274 38.000 -0.159 0.000 1.248 149 I HN 0.564 nan 8.210 nan 0.000 0.424 150 R N 1.830 122.202 120.500 -0.213 0.000 2.855 150 R HA 0.612 4.950 4.340 -0.004 0.000 0.266 150 R C -0.815 175.392 176.300 -0.155 0.000 1.034 150 R CA -0.878 55.142 56.100 -0.132 0.000 0.944 150 R CB 0.741 31.039 30.300 -0.004 0.000 1.219 150 R HN 0.527 nan 8.270 nan 0.000 0.474 151 T N 0.713 115.191 114.554 -0.127 0.000 2.905 151 T HA 0.279 4.627 4.350 -0.004 0.000 0.299 151 T C 1.242 175.811 174.700 -0.217 0.000 1.024 151 T CA 1.714 63.707 62.100 -0.178 0.000 1.151 151 T CB 0.555 69.378 68.868 -0.075 0.000 0.987 151 T HN 0.921 nan 8.240 nan 0.000 0.535 152 G N 3.366 111.877 108.800 -0.481 0.000 2.232 152 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.226 152 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.226 152 G C -0.093 174.575 174.900 -0.386 0.000 0.996 152 G CA -0.309 44.553 45.100 -0.396 0.000 0.626 152 G HN 0.686 nan 8.290 nan 0.000 0.509 153 D N 1.705 121.885 120.400 -0.367 0.000 2.455 153 D HA 0.441 5.078 4.640 -0.004 0.000 0.241 153 D C 0.316 176.483 176.300 -0.223 0.000 1.138 153 D CA 1.042 54.914 54.000 -0.214 0.000 0.877 153 D CB 0.952 41.655 40.800 -0.162 0.000 1.187 153 D HN 0.170 nan 8.370 nan 0.000 0.451 154 T N 2.783 117.319 114.554 -0.031 0.000 2.791 154 T HA 0.484 4.831 4.350 -0.004 0.000 0.288 154 T C 0.310 175.046 174.700 0.061 0.000 0.999 154 T CA -0.535 61.616 62.100 0.086 0.000 0.952 154 T CB 0.664 69.641 68.868 0.182 0.000 0.938 154 T HN 0.098 nan 8.240 nan 0.000 0.444 155 I N 2.873 123.476 120.570 0.055 0.000 2.437 155 I HA 0.664 4.832 4.170 -0.004 0.000 0.298 155 I C 0.286 176.428 176.117 0.041 0.000 0.984 155 I CA -0.418 60.909 61.300 0.046 0.000 1.214 155 I CB 1.482 39.520 38.000 0.063 0.000 1.365 155 I HN 0.733 nan 8.210 nan 0.000 0.469 156 A N 3.793 126.639 122.820 0.042 0.000 2.350 156 A HA 0.880 5.198 4.320 -0.004 0.000 0.324 156 A C -0.500 177.113 177.584 0.049 0.000 1.118 156 A CA -0.416 51.642 52.037 0.035 0.000 0.783 156 A CB 1.239 20.271 19.000 0.054 0.000 1.236 156 A HN 0.583 nan 8.150 nan 0.000 0.457 157 T N 1.454 116.027 114.554 0.032 0.000 2.937 157 T HA 0.379 4.727 4.350 -0.004 0.000 0.297 157 T C -0.957 173.788 174.700 0.076 0.000 0.991 157 T CA -0.150 61.992 62.100 0.070 0.000 0.990 157 T CB 0.317 69.223 68.868 0.063 0.000 0.991 157 T HN 0.732 nan 8.240 nan 0.000 0.440 158 H N 3.826 122.911 119.070 0.026 0.000 2.707 158 H HA 0.293 4.846 4.556 -0.004 0.000 0.359 158 H C -2.147 173.200 175.328 0.032 0.000 1.113 158 H CA -0.896 55.162 56.048 0.016 0.000 1.422 158 H CB 0.676 30.435 29.762 -0.004 0.000 1.443 158 H HN 0.266 nan 8.280 nan 0.000 0.591 159 P HA -0.016 nan 4.420 nan 0.000 0.261 159 P C 0.679 178.031 177.300 0.087 0.000 1.183 159 P CA 1.589 64.744 63.100 0.092 0.000 0.761 159 P CB 0.498 32.216 31.700 0.030 0.000 0.785 160 G N 1.314 110.162 108.800 0.079 0.000 2.213 160 G HA2 -0.202 3.755 3.960 -0.004 0.000 0.226 160 G HA3 -0.202 3.755 3.960 -0.004 0.000 0.226 160 G C 0.001 174.817 174.900 -0.140 0.000 0.992 160 G CA -0.211 44.794 45.100 -0.159 0.000 0.632 160 G HN 0.524 nan 8.290 nan 0.000 0.511 161 V N 1.949 121.899 119.914 0.060 0.000 2.488 161 V HA 0.647 4.765 4.120 -0.004 0.000 0.277 161 V C 0.922 177.133 176.094 0.195 0.000 1.046 161 V CA 0.061 62.411 62.300 0.084 0.000 0.986 161 V CB 1.213 33.098 31.823 0.103 0.000 0.989 161 V HN 1.090 nan 8.190 nan 0.000 0.475 162 A N 5.310 128.236 122.820 0.176 0.000 2.309 162 A HA 0.707 5.024 4.320 -0.004 0.000 0.298 162 A C -0.230 177.461 177.584 0.178 0.000 1.165 162 A CA -0.430 51.767 52.037 0.267 0.000 0.821 162 A CB 0.682 19.855 19.000 0.288 0.000 1.102 162 A HN 0.842 nan 8.150 nan 0.000 0.500 163 Q N 1.330 121.247 119.800 0.195 0.000 2.389 163 Q HA 0.544 4.882 4.340 -0.004 0.000 0.277 163 Q C -1.519 174.521 176.000 0.067 0.000 1.082 163 Q CA -0.582 55.196 55.803 -0.041 0.000 0.810 163 Q CB 2.554 31.212 28.738 -0.133 0.000 1.374 163 Q HN 0.891 nan 8.270 nan 0.000 0.422 164 W N 1.725 122.914 121.300 -0.185 0.000 2.936 164 W HA 0.682 5.340 4.660 -0.004 0.000 0.338 164 W C -2.022 174.311 176.519 -0.310 0.000 1.121 164 W CA -0.890 56.439 57.345 -0.027 0.000 1.209 164 W CB 0.491 29.985 29.460 0.058 0.000 1.420 164 W HN 0.481 nan 8.180 nan 0.000 0.516 165 F N 2.301 122.548 119.950 0.494 0.000 2.532 165 F HA 0.500 5.024 4.527 -0.004 0.000 0.321 165 F C -0.967 175.103 175.800 0.451 0.000 1.089 165 F CA -1.251 56.920 58.000 0.285 0.000 0.926 165 F CB 2.065 41.116 39.000 0.084 0.000 1.168 165 F HN 0.313 nan 8.300 nan 0.000 0.459 166 Y N 2.287 122.832 120.300 0.408 0.000 2.406 166 Y HA 0.314 4.861 4.550 -0.004 0.000 0.340 166 Y C -0.757 175.209 175.900 0.110 0.000 0.975 166 Y CA -1.159 57.059 58.100 0.196 0.000 1.056 166 Y CB 1.508 40.035 38.460 0.111 0.000 1.210 166 Y HN 0.677 nan 8.280 nan 0.000 0.448 167 N N 5.319 123.647 118.700 -0.620 0.000 2.602 167 N HA 0.015 4.753 4.740 -0.004 0.000 0.238 167 N C 0.007 175.041 175.510 -0.792 0.000 1.084 167 N CA -0.203 52.544 53.050 -0.505 0.000 0.952 167 N CB 0.490 38.793 38.487 -0.307 0.000 1.244 167 N HN 0.843 nan 8.380 nan 0.000 0.512 168 D N 2.277 122.464 120.400 -0.355 0.000 2.312 168 D HA -0.057 4.580 4.640 -0.004 0.000 0.211 168 D C 1.023 177.331 176.300 0.012 0.000 0.964 168 D CA 0.132 54.158 54.000 0.043 0.000 0.877 168 D CB -0.101 40.918 40.800 0.365 0.000 0.924 168 D HN 0.405 nan 8.370 nan 0.000 0.515 169 G N -0.010 108.770 108.800 -0.034 0.000 2.621 169 G HA2 0.050 4.007 3.960 -0.004 0.000 0.271 169 G HA3 0.050 4.007 3.960 -0.004 0.000 0.271 169 G C 0.666 175.558 174.900 -0.013 0.000 1.236 169 G CA -0.297 44.807 45.100 0.008 0.000 0.958 169 G HN 0.087 nan 8.290 nan 0.000 0.512 170 N N -0.764 117.941 118.700 0.008 0.000 2.124 170 N HA -0.044 4.694 4.740 -0.004 0.000 0.188 170 N C 1.534 177.042 175.510 -0.004 0.000 1.045 170 N CA 1.110 54.164 53.050 0.007 0.000 0.846 170 N CB -0.294 38.204 38.487 0.019 0.000 1.020 170 N HN 0.748 nan 8.380 nan 0.000 0.432 171 Q N 0.318 120.118 119.800 0.001 0.000 2.407 171 Q HA 0.448 4.785 4.340 -0.004 0.000 0.214 171 Q C -2.340 173.652 176.000 -0.012 0.000 1.043 171 Q CA -1.777 54.026 55.803 0.000 0.000 0.983 171 Q CB -0.602 28.141 28.738 0.010 0.000 1.211 171 Q HN 0.128 nan 8.270 nan 0.000 0.564 172 P HA 0.010 nan 4.420 nan 0.000 0.268 172 P C -1.263 176.027 177.300 -0.017 0.000 1.204 172 P CA -0.234 62.859 63.100 -0.012 0.000 0.768 172 P CB 0.345 32.049 31.700 0.007 0.000 0.842 173 L N 5.167 126.370 121.223 -0.035 0.000 2.264 173 L HA 0.383 4.720 4.340 -0.004 0.000 0.289 173 L C -0.976 175.868 176.870 -0.044 0.000 1.044 173 L CA -0.167 54.643 54.840 -0.050 0.000 0.807 173 L CB 0.922 42.939 42.059 -0.070 0.000 1.192 173 L HN 0.046 nan 8.230 nan 0.000 0.425 174 V N 7.246 127.132 119.914 -0.047 0.000 2.326 174 V HA 0.422 4.539 4.120 -0.004 0.000 0.281 174 V C -0.055 175.974 176.094 -0.108 0.000 1.015 174 V CA -0.326 61.955 62.300 -0.032 0.000 0.823 174 V CB 1.207 33.056 31.823 0.043 0.000 1.009 174 V HN 0.628 nan 8.190 nan 0.000 0.436 175 I N 5.162 125.616 120.570 -0.194 0.000 2.392 175 I HA 0.498 4.666 4.170 -0.004 0.000 0.295 175 I C -0.089 175.790 176.117 -0.396 0.000 0.985 175 I CA -0.390 60.703 61.300 -0.344 0.000 1.221 175 I CB 1.881 39.520 38.000 -0.601 0.000 1.366 175 I HN 0.260 nan 8.210 nan 0.000 0.467 176 V N 4.648 124.335 119.914 -0.378 0.000 2.604 176 V HA 0.617 4.735 4.120 -0.004 0.000 0.305 176 V C -0.531 175.145 176.094 -0.697 0.000 1.043 176 V CA -0.159 61.812 62.300 -0.550 0.000 0.888 176 V CB 2.154 33.684 31.823 -0.488 0.000 0.995 176 V HN 0.813 nan 8.190 nan 0.000 0.429 177 S N 3.000 118.000 115.700 -1.167 0.000 2.547 177 S HA 0.565 5.033 4.470 -0.004 0.000 0.281 177 S C -0.939 172.830 174.600 -1.385 0.000 1.118 177 S CA -0.406 57.120 58.200 -1.124 0.000 0.947 177 S CB 1.996 64.618 63.200 -0.964 0.000 1.053 177 S HN 0.604 nan 8.310 nan 0.000 0.482 178 V N 4.867 124.036 119.914 -1.242 0.000 2.539 178 V HA 0.629 4.747 4.120 -0.004 0.000 0.292 178 V C -1.234 174.506 176.094 -0.590 0.000 1.045 178 V CA -0.629 61.179 62.300 -0.820 0.000 0.945 178 V CB 1.063 32.432 31.823 -0.756 0.000 0.993 178 V HN 0.780 nan 8.190 nan 0.000 0.464 179 L N 5.351 126.334 121.223 -0.401 0.000 2.333 179 L HA 0.518 4.855 4.340 -0.004 0.000 0.280 179 L C -0.610 176.141 176.870 -0.199 0.000 1.004 179 L CA -0.616 54.033 54.840 -0.318 0.000 0.820 179 L CB 1.716 43.597 42.059 -0.296 0.000 1.247 179 L HN 0.532 nan 8.230 nan 0.000 0.416 180 D N 3.022 123.320 120.400 -0.170 0.000 2.422 180 D HA 0.164 4.802 4.640 -0.004 0.000 0.227 180 D C 0.493 176.743 176.300 -0.084 0.000 1.190 180 D CA -0.230 53.702 54.000 -0.115 0.000 0.905 180 D CB 1.280 42.012 40.800 -0.113 0.000 1.034 180 D HN 0.267 nan 8.370 nan 0.000 0.507 181 L N 3.647 124.829 121.223 -0.067 0.000 2.162 181 L HA 0.143 4.481 4.340 -0.004 0.000 0.205 181 L C 2.345 179.198 176.870 -0.029 0.000 1.086 181 L CA 1.053 55.862 54.840 -0.051 0.000 0.778 181 L CB -1.040 40.982 42.059 -0.062 0.000 0.928 181 L HN 0.501 nan 8.230 nan 0.000 0.446 182 A N -1.342 121.465 122.820 -0.021 0.000 1.930 182 A HA -0.100 4.217 4.320 -0.004 0.000 0.217 182 A C 1.605 179.190 177.584 0.003 0.000 1.175 182 A CA 0.901 52.937 52.037 -0.003 0.000 0.627 182 A CB -0.686 18.318 19.000 0.006 0.000 0.815 182 A HN 0.342 nan 8.150 nan 0.000 0.443 183 S N -0.249 115.438 115.700 -0.022 0.000 2.553 183 S HA -0.085 4.383 4.470 -0.004 0.000 0.293 183 S C 1.244 175.823 174.600 -0.036 0.000 1.296 183 S CA 0.721 58.894 58.200 -0.045 0.000 1.046 183 S CB 0.100 63.226 63.200 -0.123 0.000 0.810 183 S HN 0.780 nan 8.310 nan 0.000 0.505 184 H N 2.631 121.702 119.070 0.003 0.000 2.489 184 H HA -0.049 4.504 4.556 -0.004 0.000 0.293 184 H C 1.681 177.014 175.328 0.008 0.000 1.066 184 H CA 1.757 57.809 56.048 0.008 0.000 1.305 184 H CB -0.316 29.454 29.762 0.014 0.000 1.386 184 H HN 0.774 nan 8.280 nan 0.000 0.551 185 Q N 0.428 119.992 119.800 -0.394 0.000 2.224 185 Q HA -0.113 4.225 4.340 -0.004 0.000 0.203 185 Q C 0.441 176.395 176.000 -0.077 0.000 0.970 185 Q CA 0.772 56.432 55.803 -0.238 0.000 0.865 185 Q CB -0.133 28.423 28.738 -0.303 0.000 0.922 185 Q HN 0.397 nan 8.270 nan 0.000 0.445 186 N N 1.256 119.925 118.700 -0.052 0.000 2.405 186 N HA -0.047 4.691 4.740 -0.004 0.000 0.260 186 N C 0.054 175.580 175.510 0.027 0.000 1.152 186 N CA 0.171 53.223 53.050 0.005 0.000 0.948 186 N CB 1.057 39.547 38.487 0.004 0.000 1.111 186 N HN -0.038 nan 8.380 nan 0.000 0.485 187 Q N 2.478 122.303 119.800 0.042 0.000 2.403 187 Q HA 0.261 4.598 4.340 -0.004 0.000 0.203 187 Q C 0.315 176.346 176.000 0.052 0.000 0.932 187 Q CA 0.405 56.235 55.803 0.046 0.000 0.945 187 Q CB 0.206 28.969 28.738 0.042 0.000 1.045 187 Q HN 0.630 nan 8.270 nan 0.000 0.511 188 L N -1.156 120.105 121.223 0.063 0.000 2.562 188 L HA 0.335 4.672 4.340 -0.004 0.000 0.188 188 L C 0.074 176.974 176.870 0.050 0.000 1.342 188 L CA 0.904 55.787 54.840 0.072 0.000 1.104 188 L CB 0.028 42.156 42.059 0.114 0.000 1.257 188 L HN -0.045 nan 8.230 nan 0.000 0.632 189 D N -2.819 117.610 120.400 0.047 0.000 2.596 189 D HA 0.313 4.950 4.640 -0.004 0.000 0.262 189 D C -0.229 176.080 176.300 0.016 0.000 1.210 189 D CA -0.530 53.490 54.000 0.033 0.000 0.873 189 D CB 1.993 42.821 40.800 0.047 0.000 1.408 189 D HN -0.175 nan 8.370 nan 0.000 0.441 190 R N 0.290 120.799 120.500 0.015 0.000 2.343 190 R HA 0.181 4.519 4.340 -0.004 0.000 0.202 190 R C -0.217 176.064 176.300 -0.033 0.000 1.023 190 R CA 0.411 56.517 56.100 0.010 0.000 1.084 190 R CB -0.449 29.873 30.300 0.037 0.000 0.956 190 R HN 0.265 nan 8.270 nan 0.000 0.478 191 N N 0.337 119.010 118.700 -0.046 0.000 2.404 191 N HA 0.332 5.069 4.740 -0.004 0.000 0.297 191 N C -2.794 172.651 175.510 -0.109 0.000 1.163 191 N CA -1.742 51.198 53.050 -0.183 0.000 0.864 191 N CB 1.679 40.217 38.487 0.085 0.000 1.247 191 N HN -0.070 nan 8.380 nan 0.000 0.510 192 P HA 0.256 nan 4.420 nan 0.000 0.280 192 P C -0.925 176.534 177.300 0.265 0.000 1.244 192 P CA -0.149 62.985 63.100 0.056 0.000 0.784 192 P CB 1.094 32.772 31.700 -0.036 0.000 0.913 193 R N 3.712 124.366 120.500 0.256 0.000 2.467 193 R HA 0.394 4.731 4.340 -0.004 0.000 0.299 193 R C -2.592 173.671 176.300 -0.062 0.000 1.120 193 R CA -1.941 54.244 56.100 0.141 0.000 0.940 193 R CB 1.777 32.111 30.300 0.056 0.000 1.161 193 R HN 0.358 nan 8.270 nan 0.000 0.506 194 P HA 0.135 nan 4.420 nan 0.000 0.276 194 P C -0.879 175.818 177.300 -1.004 0.000 1.230 194 P CA -0.073 62.453 63.100 -0.957 0.000 0.776 194 P CB 0.459 31.604 31.700 -0.926 0.000 0.888 195 F N 2.310 121.577 119.950 -1.138 0.000 2.375 195 F HA 0.333 4.857 4.527 -0.004 0.000 0.361 195 F C 0.036 175.297 175.800 -0.897 0.000 1.117 195 F CA -0.509 56.889 58.000 -1.004 0.000 1.037 195 F CB 0.851 38.930 39.000 -1.534 0.000 1.192 195 F HN 0.240 nan 8.300 nan 0.000 0.452 196 Y N 4.271 124.427 120.300 -0.239 0.000 2.350 196 Y HA 0.203 4.750 4.550 -0.004 0.000 0.340 196 Y C 0.696 176.553 175.900 -0.072 0.000 1.006 196 Y CA -0.650 57.355 58.100 -0.159 0.000 1.166 196 Y CB 0.851 39.229 38.460 -0.136 0.000 1.168 196 Y HN 0.493 nan 8.280 nan 0.000 0.502 197 L N 2.403 123.699 121.223 0.122 0.000 2.240 197 L HA 0.039 4.377 4.340 -0.004 0.000 0.211 197 L C 1.699 178.621 176.870 0.086 0.000 1.106 197 L CA 1.603 56.519 54.840 0.127 0.000 0.793 197 L CB -0.722 41.427 42.059 0.151 0.000 0.927 197 L HN 0.835 nan 8.230 nan 0.000 0.446 198 A N -1.734 121.118 122.820 0.052 0.000 1.786 198 A HA 0.496 4.814 4.320 -0.004 0.000 0.208 198 A C 1.353 178.909 177.584 -0.047 0.000 1.787 198 A CA 0.414 52.447 52.037 -0.006 0.000 1.125 198 A CB -1.059 17.922 19.000 -0.031 0.000 1.082 198 A HN 0.205 nan 8.150 nan 0.000 0.534 199 G N 1.012 109.753 108.800 -0.099 0.000 2.391 199 G HA2 0.330 4.288 3.960 -0.004 0.000 0.234 199 G HA3 0.330 4.288 3.960 -0.004 0.000 0.234 199 G C -0.300 174.475 174.900 -0.208 0.000 1.284 199 G CA 0.150 45.133 45.100 -0.196 0.000 0.873 199 G HN 0.342 nan 8.290 nan 0.000 0.549 200 N N 0.043 118.636 118.700 -0.177 0.000 2.498 200 N HA 0.234 4.972 4.740 -0.004 0.000 0.287 200 N C -0.569 174.818 175.510 -0.206 0.000 1.097 200 N CA -0.608 52.351 53.050 -0.152 0.000 0.973 200 N CB 1.228 39.660 38.487 -0.091 0.000 1.153 200 N HN 0.467 nan 8.380 nan 0.000 0.472 201 N N 3.003 121.596 118.700 -0.178 0.000 2.569 201 N HA 0.437 5.174 4.740 -0.004 0.000 0.254 201 N C -2.336 173.141 175.510 -0.055 0.000 1.004 201 N CA -2.030 50.941 53.050 -0.132 0.000 0.904 201 N CB 1.623 40.037 38.487 -0.122 0.000 1.165 201 N HN 0.331 nan 8.380 nan 0.000 0.513 202 P HA -0.018 nan 4.420 nan 0.000 0.229 202 P C 0.676 177.970 177.300 -0.009 0.000 1.160 202 P CA 0.932 64.016 63.100 -0.026 0.000 0.777 202 P CB 0.423 32.108 31.700 -0.024 0.000 0.814 203 Q N -0.624 119.182 119.800 0.011 0.000 2.245 203 Q HA 0.169 4.506 4.340 -0.004 0.000 0.201 203 Q C 1.139 177.151 176.000 0.021 0.000 0.955 203 Q CA 0.737 56.560 55.803 0.033 0.000 0.870 203 Q CB -0.301 28.482 28.738 0.076 0.000 0.945 203 Q HN 0.209 nan 8.270 nan 0.000 0.461 204 G N 1.333 110.142 108.800 0.014 0.000 2.693 204 G HA2 -0.303 3.654 3.960 -0.004 0.000 0.226 204 G HA3 -0.303 3.654 3.960 -0.004 0.000 0.226 204 G C -0.703 174.107 174.900 -0.150 0.000 1.354 204 G CA -0.536 44.532 45.100 -0.054 0.000 0.873 204 G HN 0.324 nan 8.290 nan 0.000 0.562 205 Q N 0.582 120.115 119.800 -0.445 0.000 3.150 205 Q HA 0.342 4.679 4.340 -0.004 0.000 0.297 205 Q C 1.855 177.256 176.000 -0.998 0.000 1.382 205 Q CA 0.216 55.277 55.803 -1.237 0.000 1.059 205 Q CB 0.532 28.633 28.738 -1.063 0.000 1.559 205 Q HN 1.219 nan 8.270 nan 0.000 0.548 206 V N -2.473 117.146 119.914 -0.491 0.000 3.078 206 V HA -0.142 3.976 4.120 -0.004 0.000 0.265 206 V C 1.297 177.163 176.094 -0.380 0.000 1.122 206 V CA 0.849 63.017 62.300 -0.220 0.000 1.141 206 V CB -0.936 30.907 31.823 0.033 0.000 0.735 206 V HN 0.793 nan 8.190 nan 0.000 0.498 207 W N 0.174 121.246 121.300 -0.380 0.000 3.003 207 W HA 0.530 5.187 4.660 -0.004 0.000 0.257 207 W C 0.623 177.167 176.519 0.041 0.000 1.308 207 W CA -0.791 56.319 57.345 -0.392 0.000 1.529 207 W CB -0.492 28.897 29.460 -0.118 0.000 1.115 207 W HN 0.103 nan 8.180 nan 0.000 0.659 208 I N 1.599 121.961 120.570 -0.347 0.000 2.566 208 I HA 0.163 4.330 4.170 -0.004 0.000 0.303 208 I C 1.380 177.476 176.117 -0.035 0.000 0.983 208 I CA -0.764 60.492 61.300 -0.073 0.000 1.235 208 I CB 1.755 39.595 38.000 -0.266 0.000 1.386 208 I HN -0.034 nan 8.210 nan 0.000 0.494 209 E N 3.310 123.532 120.200 0.036 0.000 1.996 209 E HA -0.117 4.231 4.350 -0.004 0.000 0.197 209 E C 1.415 177.980 176.600 -0.059 0.000 1.002 209 E CA 1.219 57.590 56.400 -0.047 0.000 0.840 209 E CB -0.128 29.520 29.700 -0.087 0.000 0.786 209 E HN 0.851 nan 8.360 nan 0.000 0.469 210 G N 0.305 109.072 108.800 -0.053 0.000 3.709 210 G HA2 -0.007 3.951 3.960 -0.004 0.000 0.272 210 G HA3 -0.007 3.951 3.960 -0.004 0.000 0.272 210 G C 0.692 175.550 174.900 -0.070 0.000 1.259 210 G CA -0.314 44.755 45.100 -0.052 0.000 1.512 210 G HN -0.013 nan 8.290 nan 0.000 0.625 211 R N 0.689 121.129 120.500 -0.100 0.000 2.193 211 R HA 0.019 4.356 4.340 -0.004 0.000 0.213 211 R C 0.701 176.948 176.300 -0.089 0.000 1.055 211 R CA 0.163 56.189 56.100 -0.124 0.000 0.995 211 R CB -0.066 30.111 30.300 -0.204 0.000 0.893 211 R HN 0.616 nan 8.270 nan 0.000 0.459 212 E N 1.233 121.393 120.200 -0.066 0.000 2.269 212 E HA -0.268 4.080 4.350 -0.004 0.000 0.223 212 E C -0.805 175.769 176.600 -0.045 0.000 1.244 212 E CA 0.554 56.927 56.400 -0.046 0.000 0.713 212 E CB -1.426 28.251 29.700 -0.038 0.000 1.178 212 E HN 0.430 nan 8.360 nan 0.000 0.370 213 Q N -2.083 117.686 119.800 -0.050 0.000 2.453 213 Q HA -0.270 4.068 4.340 -0.004 0.000 0.294 213 Q C -0.289 175.686 176.000 -0.042 0.000 1.295 213 Q CA 0.993 56.772 55.803 -0.039 0.000 0.853 213 Q CB -1.149 27.577 28.738 -0.021 0.000 1.193 213 Q HN 0.543 nan 8.270 nan 0.000 0.461 214 Q N 0.705 120.470 119.800 -0.058 0.000 2.235 214 Q HA 0.364 4.702 4.340 -0.004 0.000 0.250 214 Q C -2.153 173.813 176.000 -0.057 0.000 0.909 214 Q CA -2.035 53.736 55.803 -0.054 0.000 0.910 214 Q CB 1.019 29.721 28.738 -0.061 0.000 1.223 214 Q HN 0.036 nan 8.270 nan 0.000 0.432 215 P HA -0.044 nan 4.420 nan 0.000 0.272 215 P C -1.300 175.972 177.300 -0.046 0.000 1.223 215 P CA -0.175 62.901 63.100 -0.040 0.000 0.784 215 P CB 0.494 32.174 31.700 -0.033 0.000 0.923 216 Q N 1.672 121.450 119.800 -0.037 0.000 2.368 216 Q HA 0.272 4.609 4.340 -0.004 0.000 0.263 216 Q C -0.919 175.066 176.000 -0.024 0.000 1.009 216 Q CA -0.778 55.011 55.803 -0.024 0.000 0.818 216 Q CB 0.623 29.376 28.738 0.025 0.000 1.239 216 Q HN 0.218 nan 8.270 nan 0.000 0.464 217 K N 1.601 121.988 120.400 -0.021 0.000 2.090 217 K HA 0.266 4.583 4.320 -0.004 0.000 0.249 217 K C -0.038 176.571 176.600 0.016 0.000 0.995 217 K CA -0.747 55.530 56.287 -0.017 0.000 0.914 217 K CB 0.409 32.898 32.500 -0.019 0.000 1.057 217 K HN 0.641 nan 8.250 nan 0.000 0.462 218 N N -0.089 118.625 118.700 0.024 0.000 2.288 218 N HA 0.016 4.753 4.740 -0.004 0.000 0.237 218 N C 0.653 176.207 175.510 0.074 0.000 1.311 218 N CA -0.009 53.084 53.050 0.070 0.000 0.909 218 N CB 0.158 38.681 38.487 0.061 0.000 1.167 218 N HN 0.563 nan 8.380 nan 0.000 0.476 219 I N -0.900 119.740 120.570 0.117 0.000 2.179 219 I HA -0.244 3.924 4.170 -0.004 0.000 0.242 219 I C 1.589 177.811 176.117 0.176 0.000 1.088 219 I CA 0.953 62.341 61.300 0.148 0.000 1.357 219 I CB -0.302 37.845 38.000 0.246 0.000 1.051 219 I HN 0.418 nan 8.210 nan 0.000 0.409 220 L N 0.660 122.023 121.223 0.233 0.000 2.129 220 L HA -0.282 4.055 4.340 -0.004 0.000 0.212 220 L C 2.224 179.220 176.870 0.211 0.000 1.087 220 L CA 1.648 56.666 54.840 0.298 0.000 0.757 220 L CB -1.784 40.387 42.059 0.186 0.000 0.896 220 L HN 0.424 nan 8.230 nan 0.000 0.434 221 N N 0.078 118.837 118.700 0.098 0.000 2.348 221 N HA -0.155 4.583 4.740 -0.004 0.000 0.185 221 N C 1.663 177.181 175.510 0.012 0.000 1.019 221 N CA 1.210 54.289 53.050 0.049 0.000 0.880 221 N CB 0.100 38.596 38.487 0.015 0.000 0.965 221 N HN 0.438 nan 8.380 nan 0.000 0.437 222 G N -1.037 107.724 108.800 -0.065 0.000 2.777 222 G HA2 0.081 4.039 3.960 -0.004 0.000 0.211 222 G HA3 0.081 4.039 3.960 -0.004 0.000 0.211 222 G C 0.086 174.821 174.900 -0.275 0.000 1.149 222 G CA -0.229 44.744 45.100 -0.212 0.000 0.785 222 G HN 0.111 nan 8.290 nan 0.000 0.536 223 F N 1.443 121.427 119.950 0.055 0.000 2.425 223 F HA 0.405 4.929 4.527 -0.004 0.000 0.331 223 F C 1.110 176.937 175.800 0.046 0.000 1.085 223 F CA -1.131 56.901 58.000 0.054 0.000 1.028 223 F CB 1.188 40.231 39.000 0.072 0.000 1.177 223 F HN -0.116 nan 8.300 nan 0.000 0.487 224 T N 0.091 114.786 114.554 0.235 0.000 2.940 224 T HA 0.092 4.439 4.350 -0.004 0.000 0.309 224 T C -2.009 172.775 174.700 0.140 0.000 1.056 224 T CA -1.270 60.915 62.100 0.141 0.000 1.137 224 T CB 0.853 69.782 68.868 0.103 0.000 0.976 224 T HN 0.317 nan 8.240 nan 0.000 0.547 225 P HA -0.159 nan 4.420 nan 0.000 0.218 225 P C 1.598 178.943 177.300 0.076 0.000 1.146 225 P CA 1.036 64.187 63.100 0.085 0.000 0.813 225 P CB 0.097 31.831 31.700 0.056 0.000 0.778 226 E N -0.323 119.916 120.200 0.065 0.000 2.028 226 E HA -0.108 4.239 4.350 -0.004 0.000 0.191 226 E C 2.202 178.828 176.600 0.043 0.000 0.988 226 E CA 0.938 57.367 56.400 0.048 0.000 0.799 226 E CB -1.625 28.098 29.700 0.039 0.000 0.755 226 E HN 0.137 nan 8.360 nan 0.000 0.447 227 V N 1.232 121.175 119.914 0.048 0.000 2.392 227 V HA -0.217 3.901 4.120 -0.004 0.000 0.249 227 V C 2.334 178.418 176.094 -0.017 0.000 1.059 227 V CA 1.332 63.638 62.300 0.009 0.000 1.051 227 V CB -0.402 31.435 31.823 0.023 0.000 0.658 227 V HN 0.112 nan 8.190 nan 0.000 0.455 228 L N 0.590 121.841 121.223 0.046 0.000 2.046 228 L HA -0.001 4.337 4.340 -0.004 0.000 0.208 228 L C 2.636 179.621 176.870 0.193 0.000 1.077 228 L CA 2.419 57.335 54.840 0.126 0.000 0.747 228 L CB -1.254 40.922 42.059 0.195 0.000 0.896 228 L HN 0.388 nan 8.230 nan 0.000 0.432 229 A N -0.909 121.982 122.820 0.119 0.000 1.877 229 A HA -0.224 4.094 4.320 -0.004 0.000 0.216 229 A C 2.290 179.910 177.584 0.061 0.000 1.186 229 A CA 1.739 53.837 52.037 0.101 0.000 0.620 229 A CB -0.427 18.609 19.000 0.060 0.000 0.822 229 A HN 0.424 nan 8.150 nan 0.000 0.443 230 K N -0.282 120.128 120.400 0.017 0.000 2.147 230 K HA -0.065 4.253 4.320 -0.004 0.000 0.205 230 K C 2.238 178.797 176.600 -0.069 0.000 1.049 230 K CA 1.107 57.382 56.287 -0.021 0.000 0.936 230 K CB -0.285 32.198 32.500 -0.029 0.000 0.722 230 K HN 0.457 nan 8.250 nan 0.000 0.446 231 A N 0.642 123.388 122.820 -0.123 0.000 1.897 231 A HA -0.048 4.270 4.320 -0.004 0.000 0.215 231 A C 1.608 178.968 177.584 -0.374 0.000 1.181 231 A CA 0.997 52.856 52.037 -0.297 0.000 0.620 231 A CB -0.394 18.329 19.000 -0.462 0.000 0.821 231 A HN 0.194 nan 8.150 nan 0.000 0.443 232 F N -0.088 119.824 119.950 -0.063 0.000 2.797 232 F HA 0.187 4.712 4.527 -0.004 0.000 0.302 232 F C 0.530 176.305 175.800 -0.041 0.000 1.130 232 F CA 0.236 58.207 58.000 -0.049 0.000 1.387 232 F CB 0.295 39.270 39.000 -0.042 0.000 1.107 232 F HN 0.024 nan 8.300 nan 0.000 0.577 233 K N 1.434 121.878 120.400 0.072 0.000 3.156 233 K HA -0.215 4.103 4.320 -0.004 0.000 0.266 233 K C -0.246 176.391 176.600 0.061 0.000 0.966 233 K CA 0.838 57.149 56.287 0.040 0.000 0.719 233 K CB -2.421 30.085 32.500 0.011 0.000 1.333 233 K HN 0.568 nan 8.250 nan 0.000 0.468 234 I N -3.935 116.685 120.570 0.084 0.000 3.206 234 I HA 0.476 4.644 4.170 -0.004 0.000 0.313 234 I C 0.146 176.287 176.117 0.040 0.000 1.103 234 I CA -1.305 60.029 61.300 0.057 0.000 0.985 234 I CB 1.492 39.525 38.000 0.056 0.000 1.240 234 I HN -0.209 nan 8.210 nan 0.000 0.464 235 D N 1.358 121.772 120.400 0.022 0.000 2.390 235 D HA 0.149 4.787 4.640 -0.004 0.000 0.249 235 D C 1.073 177.385 176.300 0.019 0.000 1.144 235 D CA -0.126 53.884 54.000 0.017 0.000 0.880 235 D CB 1.775 42.581 40.800 0.009 0.000 1.182 235 D HN 0.428 nan 8.370 nan 0.000 0.451 236 V N 5.313 125.240 119.914 0.022 0.000 2.660 236 V HA -0.272 3.845 4.120 -0.004 0.000 0.257 236 V C 2.268 178.372 176.094 0.017 0.000 1.088 236 V CA 1.844 64.159 62.300 0.024 0.000 1.106 236 V CB -0.610 31.227 31.823 0.023 0.000 0.686 236 V HN 0.573 nan 8.190 nan 0.000 0.481 237 R N -0.275 120.231 120.500 0.010 0.000 2.119 237 R HA -0.050 4.287 4.340 -0.004 0.000 0.222 237 R C 2.281 178.580 176.300 -0.002 0.000 1.088 237 R CA 1.583 57.686 56.100 0.005 0.000 0.984 237 R CB -0.713 29.589 30.300 0.003 0.000 0.884 237 R HN 0.498 nan 8.270 nan 0.000 0.447 238 T N 1.202 115.752 114.554 -0.006 0.000 2.904 238 T HA -0.003 4.345 4.350 -0.004 0.000 0.267 238 T C 2.037 176.717 174.700 -0.034 0.000 1.059 238 T CA 1.117 63.204 62.100 -0.022 0.000 1.137 238 T CB -0.058 68.795 68.868 -0.025 0.000 0.879 238 T HN 0.328 nan 8.240 nan 0.000 0.467 239 A N 1.413 124.225 122.820 -0.013 0.000 1.930 239 A HA -0.134 4.184 4.320 -0.004 0.000 0.217 239 A C 2.287 179.872 177.584 0.002 0.000 1.175 239 A CA 1.405 53.438 52.037 -0.007 0.000 0.627 239 A CB -0.651 18.376 19.000 0.045 0.000 0.815 239 A HN 0.459 nan 8.150 nan 0.000 0.443 240 Q N -0.516 119.289 119.800 0.008 0.000 2.077 240 Q HA -0.249 4.089 4.340 -0.004 0.000 0.206 240 Q C 2.327 178.324 176.000 -0.005 0.000 0.989 240 Q CA 2.087 57.895 55.803 0.009 0.000 0.853 240 Q CB -0.198 28.545 28.738 0.008 0.000 0.907 240 Q HN 0.754 nan 8.270 nan 0.000 0.418 241 Q N -0.099 119.689 119.800 -0.019 0.000 2.124 241 Q HA -0.146 4.192 4.340 -0.004 0.000 0.202 241 Q C 2.152 178.128 176.000 -0.040 0.000 0.977 241 Q CA 0.908 56.693 55.803 -0.029 0.000 0.850 241 Q CB -0.107 28.611 28.738 -0.034 0.000 0.901 241 Q HN 0.449 nan 8.270 nan 0.000 0.429 242 L N 0.663 121.852 121.223 -0.057 0.000 2.127 242 L HA -0.221 4.117 4.340 -0.004 0.000 0.211 242 L C 1.959 178.811 176.870 -0.032 0.000 1.089 242 L CA 1.175 55.969 54.840 -0.077 0.000 0.757 242 L CB -0.427 41.549 42.059 -0.138 0.000 0.899 242 L HN 0.308 nan 8.230 nan 0.000 0.434 243 Q N -0.195 119.602 119.800 -0.005 0.000 2.515 243 Q HA -0.044 4.293 4.340 -0.004 0.000 0.214 243 Q C 0.031 176.030 176.000 -0.002 0.000 0.971 243 Q CA -0.222 55.591 55.803 0.016 0.000 0.952 243 Q CB -0.213 28.543 28.738 0.031 0.000 0.999 243 Q HN 0.363 nan 8.270 nan 0.000 0.524 244 N N 3.280 121.969 118.700 -0.017 0.000 2.730 244 N HA -0.185 4.553 4.740 -0.004 0.000 0.266 244 N C -0.737 174.759 175.510 -0.023 0.000 0.949 244 N CA 1.045 54.080 53.050 -0.026 0.000 0.829 244 N CB -0.747 37.717 38.487 -0.038 0.000 0.916 244 N HN 0.557 nan 8.380 nan 0.000 0.558 245 Q N 0.157 119.948 119.800 -0.015 0.000 2.297 245 Q HA 0.138 4.475 4.340 -0.004 0.000 0.267 245 Q C 0.401 176.390 176.000 -0.018 0.000 1.006 245 Q CA -0.150 55.644 55.803 -0.014 0.000 0.896 245 Q CB 0.831 29.565 28.738 -0.007 0.000 1.186 245 Q HN 0.173 nan 8.270 nan 0.000 0.392 246 Q N -1.251 118.536 119.800 -0.022 0.000 2.360 246 Q HA -0.182 4.155 4.340 -0.004 0.000 0.192 246 Q C -0.594 175.390 176.000 -0.026 0.000 0.615 246 Q CA 1.538 57.328 55.803 -0.022 0.000 1.355 246 Q CB -1.985 26.744 28.738 -0.016 0.000 1.324 246 Q HN 0.965 nan 8.270 nan 0.000 0.885 247 D N 1.186 121.567 120.400 -0.031 0.000 2.472 247 D HA 0.089 4.727 4.640 -0.004 0.000 0.248 247 D C 0.357 176.631 176.300 -0.043 0.000 1.174 247 D CA 0.392 54.370 54.000 -0.037 0.000 0.883 247 D CB 0.267 41.041 40.800 -0.044 0.000 1.149 247 D HN 0.107 nan 8.370 nan 0.000 0.488 248 N N 2.516 121.195 118.700 -0.036 0.000 2.279 248 N HA 0.148 4.886 4.740 -0.004 0.000 0.226 248 N C 0.943 176.430 175.510 -0.038 0.000 1.126 248 N CA -0.136 52.893 53.050 -0.035 0.000 0.846 248 N CB 0.313 38.786 38.487 -0.024 0.000 1.050 248 N HN 0.328 nan 8.380 nan 0.000 0.502 249 R N -0.475 119.996 120.500 -0.048 0.000 2.200 249 R HA 0.201 4.539 4.340 -0.004 0.000 0.208 249 R C 1.087 177.346 176.300 -0.068 0.000 1.033 249 R CA 0.585 56.655 56.100 -0.050 0.000 1.000 249 R CB 0.083 30.353 30.300 -0.051 0.000 0.906 249 R HN 0.229 nan 8.270 nan 0.000 0.462 250 G N 0.983 109.727 108.800 -0.093 0.000 2.593 250 G HA2 -0.355 3.602 3.960 -0.004 0.000 0.237 250 G HA3 -0.355 3.602 3.960 -0.004 0.000 0.237 250 G C -0.006 174.777 174.900 -0.196 0.000 1.312 250 G CA 0.099 45.118 45.100 -0.134 0.000 0.896 250 G HN 0.367 nan 8.290 nan 0.000 0.574 251 N N -0.063 118.486 118.700 -0.251 0.000 2.254 251 N HA 0.132 4.869 4.740 -0.004 0.000 0.190 251 N C 0.572 175.908 175.510 -0.290 0.000 1.107 251 N CA 0.257 53.090 53.050 -0.362 0.000 0.869 251 N CB 0.068 38.199 38.487 -0.593 0.000 0.983 251 N HN 0.534 nan 8.380 nan 0.000 0.487 252 I N 3.353 123.841 120.570 -0.136 0.000 2.359 252 I HA 0.338 4.505 4.170 -0.004 0.000 0.284 252 I C 0.021 176.118 176.117 -0.034 0.000 1.018 252 I CA -0.748 60.528 61.300 -0.041 0.000 1.173 252 I CB 1.071 39.097 38.000 0.043 0.000 1.326 252 I HN -0.063 nan 8.210 nan 0.000 0.462 253 I N 2.354 122.907 120.570 -0.029 0.000 2.750 253 I HA 0.617 4.785 4.170 -0.004 0.000 0.308 253 I C 0.034 176.146 176.117 -0.008 0.000 1.016 253 I CA -1.162 60.123 61.300 -0.025 0.000 1.098 253 I CB 1.654 39.634 38.000 -0.034 0.000 1.279 253 I HN 0.503 nan 8.210 nan 0.000 0.454 254 R N 3.022 123.518 120.500 -0.007 0.000 2.316 254 R HA 0.424 4.761 4.340 -0.004 0.000 0.314 254 R C -1.245 175.066 176.300 0.018 0.000 1.069 254 R CA -0.331 55.770 56.100 0.003 0.000 0.959 254 R CB 0.811 31.112 30.300 0.001 0.000 0.987 254 R HN 0.644 nan 8.270 nan 0.000 0.446 255 V N 6.636 126.574 119.914 0.040 0.000 2.372 255 V HA 0.075 4.193 4.120 -0.004 0.000 0.261 255 V C -0.076 176.059 176.094 0.068 0.000 1.055 255 V CA -0.390 61.946 62.300 0.060 0.000 0.930 255 V CB 1.088 32.949 31.823 0.063 0.000 1.031 255 V HN 0.750 nan 8.190 nan 0.000 0.479 256 Q N 4.072 123.904 119.800 0.052 0.000 2.288 256 Q HA 0.570 4.908 4.340 -0.004 0.000 0.258 256 Q C 0.731 176.769 176.000 0.063 0.000 0.957 256 Q CA 0.572 56.404 55.803 0.048 0.000 0.919 256 Q CB 1.243 29.999 28.738 0.030 0.000 1.185 256 Q HN 1.047 nan 8.270 nan 0.000 0.408 257 G N 3.805 112.646 108.800 0.068 0.000 2.548 257 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.208 257 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.208 257 G C -2.359 172.595 174.900 0.091 0.000 1.308 257 G CA -0.788 44.351 45.100 0.065 0.000 0.924 257 G HN 0.594 nan 8.290 nan 0.000 0.540 258 P HA 0.329 nan 4.420 nan 0.000 0.244 258 P C -0.111 177.221 177.300 0.052 0.000 1.769 258 P CA -0.203 62.932 63.100 0.059 0.000 1.102 258 P CB -0.487 31.226 31.700 0.023 0.000 1.937 259 F N 2.505 122.403 119.950 -0.088 0.000 2.660 259 F HA -0.026 4.498 4.527 -0.004 0.000 0.342 259 F C 0.559 176.278 175.800 -0.135 0.000 1.222 259 F CA -0.160 57.723 58.000 -0.194 0.000 1.396 259 F CB -0.492 38.260 39.000 -0.414 0.000 1.466 259 F HN 0.077 nan 8.300 nan 0.000 0.588 260 S N -0.121 115.527 115.700 -0.087 0.000 2.962 260 S HA 0.103 4.570 4.470 -0.004 0.000 0.320 260 S C 0.940 175.461 174.600 -0.132 0.000 1.186 260 S CA -0.462 57.704 58.200 -0.056 0.000 1.180 260 S CB 0.300 63.493 63.200 -0.012 0.000 1.491 260 S HN 0.212 nan 8.310 nan 0.000 0.556 261 V N 2.308 122.124 119.914 -0.162 0.000 3.565 261 V HA 0.305 4.422 4.120 -0.004 0.000 0.260 261 V C 0.281 176.431 176.094 0.094 0.000 1.231 261 V CA 0.482 62.679 62.300 -0.171 0.000 1.100 261 V CB -0.389 31.188 31.823 -0.410 0.000 0.807 261 V HN 0.810 nan 8.190 nan 0.000 0.454 262 I N -0.314 120.328 120.570 0.119 0.000 2.500 262 I HA 0.465 4.633 4.170 -0.004 0.000 0.286 262 I C 0.616 176.831 176.117 0.162 0.000 1.063 262 I CA -0.598 60.831 61.300 0.215 0.000 1.062 262 I CB 2.052 40.191 38.000 0.232 0.000 1.223 262 I HN -0.091 nan 8.210 nan 0.000 0.435 263 R N 4.376 124.963 120.500 0.145 0.000 1.981 263 R HA 0.364 4.702 4.340 -0.004 0.000 0.207 263 R C -1.801 174.549 176.300 0.083 0.000 1.375 263 R CA 0.420 56.575 56.100 0.092 0.000 1.068 263 R CB -1.645 28.694 30.300 0.064 0.000 0.890 263 R HN 0.371 nan 8.270 nan 0.000 0.481 264 P HA 0.409 nan 4.420 nan 0.000 0.304 264 P C -2.701 174.624 177.300 0.043 0.000 1.406 264 P CA -1.709 61.421 63.100 0.050 0.000 0.948 264 P CB 1.445 33.160 31.700 0.025 0.000 0.972 265 P HA 0.331 nan 4.420 nan 0.000 0.287 265 P C -0.812 176.479 177.300 -0.015 0.000 1.294 265 P CA -0.290 62.825 63.100 0.025 0.000 0.776 265 P CB 0.568 32.334 31.700 0.111 0.000 0.889 282 I N 2.168 122.724 120.570 -0.024 0.000 2.281 282 I HA 0.480 4.648 4.170 -0.004 0.000 0.293 282 I C 1.452 177.548 176.117 -0.035 0.000 1.085 282 I CA -0.877 60.423 61.300 -0.000 0.000 1.257 282 I CB 0.881 38.917 38.000 0.060 0.000 1.430 282 I HN 0.238 nan 8.210 nan 0.000 0.489 283 c N 3.595 122.177 118.600 -0.031 0.000 2.674 283 c HA 0.106 4.674 4.570 -0.004 0.000 0.276 283 c C 1.733 175.815 174.090 -0.013 0.000 1.300 283 c CA 0.616 56.923 56.329 -0.037 0.000 1.732 283 c CB -0.610 41.878 42.510 -0.037 0.000 2.076 283 c HN 0.864 nan 8.230 nan 0.000 0.548 284 S N 0.523 116.224 115.700 0.001 0.000 2.499 284 S HA 0.681 5.149 4.470 -0.004 0.000 0.238 284 S C 0.029 174.642 174.600 0.022 0.000 1.205 284 S CA 0.073 58.282 58.200 0.014 0.000 1.203 284 S CB 0.131 63.340 63.200 0.015 0.000 0.954 284 S HN 0.587 nan 8.310 nan 0.000 0.484 285 A N 1.711 124.546 122.820 0.026 0.000 2.272 285 A HA 0.622 4.940 4.320 -0.004 0.000 0.275 285 A C 0.496 178.103 177.584 0.039 0.000 1.096 285 A CA -0.737 51.323 52.037 0.037 0.000 0.822 285 A CB 0.422 19.455 19.000 0.055 0.000 1.088 285 A HN 0.611 nan 8.150 nan 0.000 0.495 286 R N -0.041 120.483 120.500 0.040 0.000 2.234 286 R HA 0.349 4.687 4.340 -0.004 0.000 0.324 286 R C -0.439 175.888 176.300 0.045 0.000 1.054 286 R CA -0.258 55.865 56.100 0.040 0.000 0.912 286 R CB 0.398 30.720 30.300 0.036 0.000 1.030 286 R HN 0.735 nan 8.270 nan 0.000 0.455 287 C N 2.057 121.383 119.300 0.043 0.000 3.403 287 C HA 0.225 4.683 4.460 -0.004 0.000 0.317 287 C C 0.179 175.194 174.990 0.041 0.000 1.346 287 C CA 0.040 59.087 59.018 0.048 0.000 1.743 287 C CB 0.382 28.151 27.740 0.049 0.000 2.308 287 C HN 0.761 nan 8.230 nan 0.000 0.675 288 T N 0.337 114.910 114.554 0.033 0.000 2.940 288 T HA 0.611 4.958 4.350 -0.004 0.000 0.288 288 T C -1.220 173.497 174.700 0.029 0.000 1.033 288 T CA -0.154 61.963 62.100 0.027 0.000 1.033 288 T CB 2.013 70.890 68.868 0.016 0.000 1.079 288 T HN 0.170 nan 8.240 nan 0.000 0.496 289 D N 0.504 120.919 120.400 0.025 0.000 2.685 289 D HA 0.169 4.807 4.640 -0.004 0.000 0.236 289 D C -1.608 174.705 176.300 0.021 0.000 1.233 289 D CA -0.533 53.483 54.000 0.028 0.000 0.760 289 D CB 1.857 42.680 40.800 0.038 0.000 1.410 289 D HN 0.420 nan 8.370 nan 0.000 0.439 290 N N 3.041 121.753 118.700 0.021 0.000 2.444 290 N HA 0.261 4.999 4.740 -0.004 0.000 0.262 290 N C 0.592 176.135 175.510 0.055 0.000 0.974 290 N CA -0.281 52.781 53.050 0.019 0.000 0.933 290 N CB 1.253 39.743 38.487 0.004 0.000 1.137 290 N HN 0.427 nan 8.380 nan 0.000 0.498 291 L N 1.812 123.096 121.223 0.101 0.000 2.509 291 L HA 0.101 4.439 4.340 -0.004 0.000 0.222 291 L C 0.611 177.603 176.870 0.204 0.000 1.123 291 L CA 0.339 55.263 54.840 0.140 0.000 0.856 291 L CB 0.131 42.286 42.059 0.159 0.000 0.985 291 L HN 0.406 nan 8.230 nan 0.000 0.456 292 D N -0.062 120.445 120.400 0.179 0.000 2.338 292 D HA -0.045 4.592 4.640 -0.004 0.000 0.239 292 D C 0.298 176.648 176.300 0.084 0.000 1.095 292 D CA 0.594 54.720 54.000 0.210 0.000 0.888 292 D CB -0.002 40.886 40.800 0.146 0.000 0.899 292 D HN 0.085 nan 8.370 nan 0.000 0.525 293 D N 0.238 120.666 120.400 0.046 0.000 2.456 293 D HA 0.112 4.750 4.640 -0.004 0.000 0.219 293 D C -1.764 174.469 176.300 -0.111 0.000 1.126 293 D CA -2.061 51.912 54.000 -0.045 0.000 0.890 293 D CB 1.755 42.543 40.800 -0.020 0.000 1.025 293 D HN -0.074 nan 8.370 nan 0.000 0.511 294 P HA -0.026 nan 4.420 nan 0.000 0.225 294 P C 1.053 178.144 177.300 -0.348 0.000 1.148 294 P CA 0.523 63.378 63.100 -0.408 0.000 0.779 294 P CB 0.419 31.816 31.700 -0.506 0.000 0.780 295 S N -0.958 114.585 115.700 -0.260 0.000 2.515 295 S HA -0.018 4.450 4.470 -0.004 0.000 0.231 295 S C 0.955 175.484 174.600 -0.118 0.000 0.987 295 S CA 0.786 58.861 58.200 -0.208 0.000 0.936 295 S CB -0.654 62.455 63.200 -0.151 0.000 0.766 295 S HN 0.205 nan 8.310 nan 0.000 0.528 296 N N 1.177 119.832 118.700 -0.076 0.000 2.535 296 N HA 0.461 5.198 4.740 -0.004 0.000 0.294 296 N C -0.714 174.808 175.510 0.021 0.000 1.408 296 N CA -0.059 52.979 53.050 -0.021 0.000 0.927 296 N CB 0.934 39.418 38.487 -0.004 0.000 1.276 296 N HN 0.253 nan 8.380 nan 0.000 0.505 297 A N -0.552 122.288 122.820 0.034 0.000 2.320 297 A HA 0.452 4.770 4.320 -0.004 0.000 0.334 297 A C 0.396 178.028 177.584 0.081 0.000 1.147 297 A CA -0.597 51.508 52.037 0.114 0.000 0.820 297 A CB 0.961 20.114 19.000 0.254 0.000 1.218 297 A HN 0.135 nan 8.150 nan 0.000 0.482 298 D N -0.100 120.344 120.400 0.073 0.000 2.123 298 D HA 0.013 4.650 4.640 -0.004 0.000 0.200 298 D C 0.516 176.858 176.300 0.070 0.000 0.976 298 D CA 1.820 55.847 54.000 0.045 0.000 0.831 298 D CB 0.133 40.944 40.800 0.018 0.000 0.974 298 D HN 0.330 nan 8.370 nan 0.000 0.469 299 V N -0.312 119.671 119.914 0.114 0.000 2.686 299 V HA 0.434 4.552 4.120 -0.004 0.000 0.306 299 V C -2.091 174.144 176.094 0.235 0.000 1.065 299 V CA -0.913 61.468 62.300 0.135 0.000 0.894 299 V CB 2.136 34.014 31.823 0.091 0.000 1.004 299 V HN 0.114 nan 8.190 nan 0.000 0.424 300 Y N 6.152 126.500 120.300 0.079 0.000 2.628 300 Y HA 0.529 5.077 4.550 -0.004 0.000 0.354 300 Y C -0.038 175.904 175.900 0.069 0.000 1.061 300 Y CA -0.650 57.505 58.100 0.090 0.000 1.251 300 Y CB 1.020 39.501 38.460 0.035 0.000 1.098 300 Y HN 0.627 nan 8.280 nan 0.000 0.626 301 K N 6.464 126.825 120.400 -0.066 0.000 2.266 301 K HA 0.268 4.586 4.320 -0.004 0.000 0.274 301 K C -2.267 174.213 176.600 -0.200 0.000 1.090 301 K CA -1.704 54.547 56.287 -0.060 0.000 0.925 301 K CB 1.196 33.699 32.500 0.005 0.000 1.225 301 K HN 0.337 nan 8.250 nan 0.000 0.458 302 P HA -0.189 nan 4.420 nan 0.000 0.226 302 P C 0.653 177.900 177.300 -0.088 0.000 1.153 302 P CA 0.913 63.864 63.100 -0.249 0.000 0.777 302 P CB 0.255 31.934 31.700 -0.035 0.000 0.794 303 Q N -1.382 118.394 119.800 -0.039 0.000 2.079 303 Q HA -0.086 4.251 4.340 -0.004 0.000 0.200 303 Q C 1.530 177.544 176.000 0.024 0.000 0.974 303 Q CA 1.113 56.914 55.803 -0.003 0.000 0.840 303 Q CB -0.902 27.837 28.738 0.000 0.000 0.898 303 Q HN 0.144 nan 8.270 nan 0.000 0.430 304 L N -0.908 120.324 121.223 0.015 0.000 2.286 304 L HA 0.397 4.734 4.340 -0.004 0.000 0.203 304 L C 1.034 177.927 176.870 0.038 0.000 1.068 304 L CA 1.815 56.688 54.840 0.056 0.000 0.811 304 L CB -0.074 42.025 42.059 0.065 0.000 0.989 304 L HN 0.491 nan 8.230 nan 0.000 0.467 305 G N -1.995 106.791 108.800 -0.023 0.000 2.340 305 G HA2 0.089 4.046 3.960 -0.004 0.000 0.282 305 G HA3 0.089 4.046 3.960 -0.004 0.000 0.282 305 G C -1.656 173.261 174.900 0.028 0.000 1.312 305 G CA -0.245 44.865 45.100 0.017 0.000 0.942 305 G HN 0.185 nan 8.290 nan 0.000 0.495 306 Y N -1.606 118.630 120.300 -0.107 0.000 2.605 306 Y HA 0.888 5.436 4.550 -0.004 0.000 0.343 306 Y C -0.488 175.389 175.900 -0.038 0.000 1.036 306 Y CA -1.745 56.331 58.100 -0.040 0.000 1.065 306 Y CB 1.851 40.365 38.460 0.090 0.000 1.288 306 Y HN 0.553 nan 8.280 nan 0.000 0.481 307 I N 2.081 122.648 120.570 -0.005 0.000 2.478 307 I HA 0.368 4.536 4.170 -0.004 0.000 0.287 307 I C -0.625 175.482 176.117 -0.018 0.000 1.042 307 I CA -0.529 60.665 61.300 -0.176 0.000 1.067 307 I CB 2.133 40.077 38.000 -0.093 0.000 1.233 307 I HN 0.694 nan 8.210 nan 0.000 0.431 308 S N 2.974 118.628 115.700 -0.077 0.000 2.664 308 S HA 0.761 5.229 4.470 -0.004 0.000 0.304 308 S C -0.622 173.940 174.600 -0.064 0.000 1.099 308 S CA -0.260 57.958 58.200 0.029 0.000 1.003 308 S CB 1.875 65.158 63.200 0.138 0.000 1.092 308 S HN 0.604 nan 8.310 nan 0.000 0.525 309 T N 2.328 116.867 114.554 -0.025 0.000 2.993 309 T HA 0.388 4.736 4.350 -0.004 0.000 0.312 309 T C -1.229 173.466 174.700 -0.009 0.000 1.115 309 T CA -0.471 61.604 62.100 -0.041 0.000 1.027 309 T CB 0.897 69.744 68.868 -0.035 0.000 1.116 309 T HN 0.463 nan 8.240 nan 0.000 0.464 310 L N 4.227 125.444 121.223 -0.009 0.000 2.407 310 L HA 0.389 4.727 4.340 -0.004 0.000 0.261 310 L C 0.649 177.539 176.870 0.033 0.000 1.108 310 L CA -0.331 54.521 54.840 0.021 0.000 0.995 310 L CB -0.152 41.925 42.059 0.029 0.000 1.349 310 L HN 0.640 nan 8.230 nan 0.000 0.423 311 N N -0.381 118.351 118.700 0.054 0.000 2.285 311 N HA -0.023 4.715 4.740 -0.004 0.000 0.262 311 N C 1.149 176.705 175.510 0.077 0.000 1.299 311 N CA 0.251 53.355 53.050 0.090 0.000 0.930 311 N CB 0.687 39.272 38.487 0.163 0.000 1.157 311 N HN 0.416 nan 8.380 nan 0.000 0.532 312 S N -0.833 114.903 115.700 0.059 0.000 2.562 312 S HA -0.028 4.440 4.470 -0.004 0.000 0.221 312 S C 1.009 175.547 174.600 -0.102 0.000 0.975 312 S CA 0.423 58.588 58.200 -0.059 0.000 0.918 312 S CB -0.308 62.798 63.200 -0.157 0.000 0.772 312 S HN 0.513 nan 8.310 nan 0.000 0.531 313 Y N 1.977 122.259 120.300 -0.030 0.000 2.529 313 Y HA 0.164 4.712 4.550 -0.004 0.000 0.290 313 Y C 1.089 176.980 175.900 -0.015 0.000 1.177 313 Y CA 0.330 58.416 58.100 -0.024 0.000 1.305 313 Y CB 0.063 38.511 38.460 -0.020 0.000 1.047 313 Y HN 0.380 nan 8.280 nan 0.000 0.522 314 D N -1.344 119.117 120.400 0.101 0.000 2.929 314 D HA 0.141 4.779 4.640 -0.004 0.000 0.291 314 D C -0.049 176.272 176.300 0.035 0.000 1.086 314 D CA 0.429 54.469 54.000 0.067 0.000 0.971 314 D CB 0.264 41.102 40.800 0.062 0.000 1.275 314 D HN -0.025 nan 8.370 nan 0.000 0.469 315 L N 2.104 123.341 121.223 0.023 0.000 2.387 315 L HA 0.319 4.657 4.340 -0.004 0.000 0.259 315 L C -1.853 175.008 176.870 -0.015 0.000 1.050 315 L CA -1.440 53.410 54.840 0.017 0.000 0.922 315 L CB 1.842 43.921 42.059 0.033 0.000 1.280 315 L HN -0.191 nan 8.230 nan 0.000 0.449 316 P HA -0.257 nan 4.420 nan 0.000 0.218 316 P C 1.707 178.943 177.300 -0.107 0.000 1.150 316 P CA 1.394 64.434 63.100 -0.101 0.000 0.841 316 P CB 0.206 31.872 31.700 -0.056 0.000 0.784 317 I N -2.421 118.170 120.570 0.035 0.000 2.567 317 I HA -0.172 3.995 4.170 -0.004 0.000 0.257 317 I C 1.739 177.925 176.117 0.116 0.000 1.184 317 I CA 1.438 62.852 61.300 0.190 0.000 1.451 317 I CB -0.641 37.496 38.000 0.229 0.000 1.089 317 I HN -0.143 nan 8.210 nan 0.000 0.441 318 L N 0.293 121.515 121.223 -0.003 0.000 2.191 318 L HA -0.138 4.199 4.340 -0.004 0.000 0.212 318 L C 2.577 179.386 176.870 -0.101 0.000 1.103 318 L CA 0.901 55.724 54.840 -0.027 0.000 0.769 318 L CB -0.620 41.426 42.059 -0.021 0.000 0.908 318 L HN 0.259 nan 8.230 nan 0.000 0.438 319 R N 0.088 120.433 120.500 -0.258 0.000 2.241 319 R HA -0.159 4.178 4.340 -0.004 0.000 0.224 319 R C 1.656 177.763 176.300 -0.321 0.000 1.101 319 R CA 1.545 57.432 56.100 -0.356 0.000 0.995 319 R CB -0.374 29.599 30.300 -0.544 0.000 0.870 319 R HN 0.209 nan 8.270 nan 0.000 0.463 320 F N -1.405 118.557 119.950 0.020 0.000 2.317 320 F HA 0.124 4.648 4.527 -0.004 0.000 0.290 320 F C 1.654 177.389 175.800 -0.108 0.000 1.075 320 F CA 0.101 58.110 58.000 0.015 0.000 1.380 320 F CB -0.672 38.406 39.000 0.130 0.000 1.093 320 F HN -0.097 nan 8.300 nan 0.000 0.524 321 L N 0.189 121.422 121.223 0.016 0.000 2.265 321 L HA -0.055 4.282 4.340 -0.004 0.000 0.215 321 L C 0.820 177.642 176.870 -0.081 0.000 1.117 321 L CA 1.090 55.864 54.840 -0.109 0.000 0.782 321 L CB -0.862 41.144 42.059 -0.087 0.000 0.914 321 L HN 0.150 nan 8.230 nan 0.000 0.441 322 R N -0.897 119.582 120.500 -0.035 0.000 3.336 322 R HA -0.173 4.164 4.340 -0.004 0.000 0.260 322 R C -0.860 175.428 176.300 -0.020 0.000 1.032 322 R CA 0.254 56.344 56.100 -0.016 0.000 0.693 322 R CB -1.941 28.359 30.300 -0.001 0.000 1.134 322 R HN 0.248 nan 8.270 nan 0.000 0.433 323 L N -1.079 120.134 121.223 -0.016 0.000 2.415 323 L HA 0.682 5.019 4.340 -0.004 0.000 0.256 323 L C -0.303 176.585 176.870 0.029 0.000 1.010 323 L CA -0.876 53.967 54.840 0.005 0.000 0.826 323 L CB 2.463 44.513 42.059 -0.015 0.000 1.405 323 L HN 0.092 nan 8.230 nan 0.000 0.410 324 S N 0.613 116.350 115.700 0.061 0.000 2.537 324 S HA 0.921 5.388 4.470 -0.004 0.000 0.270 324 S C -1.662 172.978 174.600 0.066 0.000 1.142 324 S CA -0.102 58.128 58.200 0.050 0.000 0.870 324 S CB 2.041 65.260 63.200 0.030 0.000 1.112 324 S HN 0.859 nan 8.310 nan 0.000 0.466 325 A N 2.620 125.446 122.820 0.009 0.000 2.515 325 A HA 0.904 5.221 4.320 -0.004 0.000 0.296 325 A C -1.616 175.869 177.584 -0.165 0.000 1.094 325 A CA -0.731 51.245 52.037 -0.102 0.000 0.718 325 A CB 1.652 20.588 19.000 -0.107 0.000 1.307 325 A HN 1.209 nan 8.150 nan 0.000 0.408 326 L N 1.244 122.287 121.223 -0.299 0.000 2.491 326 L HA 0.687 5.025 4.340 -0.004 0.000 0.267 326 L C -0.841 175.694 176.870 -0.558 0.000 0.971 326 L CA -0.606 54.043 54.840 -0.318 0.000 0.857 326 L CB 1.417 43.348 42.059 -0.215 0.000 1.226 326 L HN 0.873 nan 8.230 nan 0.000 0.408 327 R N 3.678 123.846 120.500 -0.554 0.000 2.407 327 R HA 0.860 5.197 4.340 -0.004 0.000 0.303 327 R C -0.785 174.915 176.300 -1.000 0.000 0.981 327 R CA -0.105 55.531 56.100 -0.772 0.000 0.905 327 R CB 1.954 31.983 30.300 -0.451 0.000 1.099 327 R HN 0.639 nan 8.270 nan 0.000 0.459 328 G N 0.849 108.714 108.800 -1.559 0.000 2.701 328 G HA2 0.483 4.441 3.960 -0.004 0.000 0.300 328 G HA3 0.483 4.441 3.960 -0.004 0.000 0.300 328 G C -1.507 172.711 174.900 -1.136 0.000 1.410 328 G CA -0.517 43.572 45.100 -1.686 0.000 1.014 328 G HN 0.503 nan 8.290 nan 0.000 0.509 329 S N 1.022 116.254 115.700 -0.780 0.000 2.596 329 S HA 0.646 5.114 4.470 -0.004 0.000 0.318 329 S C -0.032 174.585 174.600 0.029 0.000 1.097 329 S CA -0.674 57.385 58.200 -0.235 0.000 1.080 329 S CB 0.423 63.553 63.200 -0.117 0.000 0.991 329 S HN 0.730 nan 8.310 nan 0.000 0.471 330 I N 1.239 121.943 120.570 0.225 0.000 2.846 330 I HA 0.713 4.880 4.170 -0.004 0.000 0.307 330 I C -0.656 175.564 176.117 0.172 0.000 1.053 330 I CA -1.272 60.150 61.300 0.203 0.000 1.050 330 I CB 1.793 39.937 38.000 0.241 0.000 1.239 330 I HN 0.347 nan 8.210 nan 0.000 0.439 331 R N 2.319 122.890 120.500 0.118 0.000 2.598 331 R HA 0.322 4.659 4.340 -0.004 0.000 0.279 331 R C -0.495 175.843 176.300 0.063 0.000 0.984 331 R CA -0.856 55.303 56.100 0.098 0.000 0.999 331 R CB 1.215 31.570 30.300 0.090 0.000 1.114 331 R HN 0.703 nan 8.270 nan 0.000 0.493 332 Q N 1.847 121.678 119.800 0.052 0.000 2.658 332 Q HA -0.285 4.052 4.340 -0.004 0.000 0.367 332 Q C -0.251 175.711 176.000 -0.063 0.000 1.107 332 Q CA 0.979 56.784 55.803 0.004 0.000 1.128 332 Q CB 0.122 28.870 28.738 0.016 0.000 1.099 332 Q HN 0.642 nan 8.270 nan 0.000 0.418 333 N N -0.334 118.290 118.700 -0.126 0.000 2.965 333 N HA -0.207 4.530 4.740 -0.004 0.000 0.232 333 N C -0.934 174.372 175.510 -0.340 0.000 0.913 333 N CA 1.139 54.044 53.050 -0.242 0.000 0.981 333 N CB -1.513 36.799 38.487 -0.292 0.000 1.077 333 N HN 0.688 nan 8.380 nan 0.000 0.589 334 A N 0.721 123.418 122.820 -0.205 0.000 2.425 334 A HA 0.517 4.835 4.320 -0.004 0.000 0.249 334 A C 0.602 178.123 177.584 -0.105 0.000 1.084 334 A CA 0.141 52.100 52.037 -0.128 0.000 0.781 334 A CB 0.437 19.436 19.000 -0.003 0.000 1.019 334 A HN 0.324 nan 8.150 nan 0.000 0.490 335 M N 3.009 122.564 119.600 -0.076 0.000 2.393 335 M HA 0.539 5.016 4.480 -0.004 0.000 0.316 335 M C -1.652 174.631 176.300 -0.028 0.000 1.087 335 M CA -0.643 54.614 55.300 -0.071 0.000 0.937 335 M CB 1.831 34.388 32.600 -0.072 0.000 1.668 335 M HN 0.338 nan 8.290 nan 0.000 0.438 336 V N 6.190 126.080 119.914 -0.041 0.000 2.320 336 V HA 0.265 4.383 4.120 -0.004 0.000 0.265 336 V C 0.333 176.421 176.094 -0.010 0.000 1.048 336 V CA -0.741 61.557 62.300 -0.003 0.000 0.865 336 V CB 0.115 31.938 31.823 -0.001 0.000 1.043 336 V HN 0.847 nan 8.190 nan 0.000 0.474 337 L N 6.255 127.480 121.223 0.003 0.000 2.640 337 L HA 0.000 4.338 4.340 -0.004 0.000 0.300 337 L C -1.900 174.978 176.870 0.014 0.000 1.259 337 L CA -0.932 53.910 54.840 0.005 0.000 0.879 337 L CB -0.222 41.842 42.059 0.008 0.000 1.125 337 L HN 0.402 nan 8.230 nan 0.000 0.507 338 P HA -0.072 nan 4.420 nan 0.000 0.255 338 P C -0.904 176.446 177.300 0.084 0.000 1.173 338 P CA 0.457 63.589 63.100 0.054 0.000 0.780 338 P CB 0.178 31.912 31.700 0.056 0.000 0.758 339 Q N 3.397 123.252 119.800 0.092 0.000 2.458 339 Q HA 0.726 5.064 4.340 -0.004 0.000 0.282 339 Q C -1.128 175.000 176.000 0.215 0.000 1.106 339 Q CA -1.053 54.797 55.803 0.078 0.000 0.814 339 Q CB 1.978 30.710 28.738 -0.008 0.000 1.425 339 Q HN 0.455 nan 8.270 nan 0.000 0.437 340 W N 0.365 121.688 121.300 0.037 0.000 3.017 340 W HA 0.642 5.299 4.660 -0.004 0.000 0.341 340 W C -1.614 174.932 176.519 0.045 0.000 1.180 340 W CA -0.860 56.517 57.345 0.052 0.000 1.097 340 W CB 0.920 30.419 29.460 0.065 0.000 1.468 340 W HN 0.432 nan 8.180 nan 0.000 0.584 341 N N 1.039 119.902 118.700 0.271 0.000 2.408 341 N HA 0.420 5.158 4.740 -0.004 0.000 0.280 341 N C 0.582 176.254 175.510 0.269 0.000 1.002 341 N CA -0.053 53.060 53.050 0.104 0.000 0.907 341 N CB 1.848 40.390 38.487 0.092 0.000 1.161 341 N HN 0.717 nan 8.380 nan 0.000 0.488 342 A N 2.236 125.106 122.820 0.084 0.000 2.014 342 A HA -0.121 4.197 4.320 -0.004 0.000 0.218 342 A C 0.986 178.681 177.584 0.185 0.000 1.163 342 A CA 1.169 53.344 52.037 0.230 0.000 0.652 342 A CB -0.165 18.887 19.000 0.087 0.000 0.808 342 A HN 0.760 nan 8.150 nan 0.000 0.449 343 N N -2.142 116.626 118.700 0.113 0.000 2.110 343 N HA 0.413 5.151 4.740 -0.004 0.000 0.230 343 N C -0.366 175.183 175.510 0.066 0.000 1.353 343 N CA 0.632 53.733 53.050 0.085 0.000 0.807 343 N CB -0.121 38.404 38.487 0.063 0.000 1.244 343 N HN 0.362 nan 8.380 nan 0.000 0.504 344 A N 0.117 122.978 122.820 0.068 0.000 2.539 344 A HA 0.685 5.002 4.320 -0.004 0.000 0.296 344 A C -1.329 176.277 177.584 0.037 0.000 1.073 344 A CA -0.680 51.385 52.037 0.045 0.000 0.700 344 A CB 1.170 20.191 19.000 0.035 0.000 1.296 344 A HN 0.096 nan 8.150 nan 0.000 0.405 345 N N 0.505 119.213 118.700 0.013 0.000 2.479 345 N HA 0.646 5.384 4.740 -0.004 0.000 0.285 345 N C -0.148 175.356 175.510 -0.010 0.000 1.075 345 N CA 0.183 53.222 53.050 -0.019 0.000 0.967 345 N CB 1.741 40.204 38.487 -0.040 0.000 1.137 345 N HN 0.898 nan 8.380 nan 0.000 0.472 346 A N 1.122 123.927 122.820 -0.026 0.000 2.299 346 A HA 0.776 5.093 4.320 -0.004 0.000 0.332 346 A C -0.730 176.829 177.584 -0.041 0.000 1.131 346 A CA -0.567 51.462 52.037 -0.012 0.000 0.844 346 A CB 1.117 20.114 19.000 -0.004 0.000 1.251 346 A HN 0.406 nan 8.150 nan 0.000 0.486 347 V N 1.502 121.403 119.914 -0.022 0.000 2.612 347 V HA 0.416 4.534 4.120 -0.004 0.000 0.301 347 V C -1.043 174.988 176.094 -0.103 0.000 1.059 347 V CA -0.307 61.937 62.300 -0.093 0.000 0.886 347 V CB 1.510 33.281 31.823 -0.087 0.000 1.007 347 V HN 0.842 nan 8.190 nan 0.000 0.426 348 L N 6.091 127.214 121.223 -0.167 0.000 2.322 348 L HA 0.700 5.037 4.340 -0.004 0.000 0.281 348 L C -1.599 175.191 176.870 -0.134 0.000 1.014 348 L CA -0.498 54.284 54.840 -0.097 0.000 0.815 348 L CB 1.504 43.519 42.059 -0.073 0.000 1.247 348 L HN 0.733 nan 8.230 nan 0.000 0.421 349 Y N 4.456 124.628 120.300 -0.214 0.000 2.391 349 Y HA 0.560 5.108 4.550 -0.004 0.000 0.341 349 Y C -1.031 174.817 175.900 -0.086 0.000 0.965 349 Y CA -0.780 57.192 58.100 -0.212 0.000 1.067 349 Y CB 1.785 40.122 38.460 -0.204 0.000 1.199 349 Y HN 0.313 nan 8.280 nan 0.000 0.450 350 V N 5.759 125.385 119.914 -0.480 0.000 2.461 350 V HA 0.148 4.266 4.120 -0.004 0.000 0.275 350 V C 0.783 176.575 176.094 -0.503 0.000 1.047 350 V CA 0.584 62.669 62.300 -0.358 0.000 0.955 350 V CB 1.048 32.778 31.823 -0.155 0.000 0.988 350 V HN 0.988 nan 8.190 nan 0.000 0.471 351 T N -0.875 113.547 114.554 -0.221 0.000 3.014 351 T HA 0.221 4.569 4.350 -0.004 0.000 0.250 351 T C 0.200 174.889 174.700 -0.018 0.000 1.060 351 T CA 0.043 62.122 62.100 -0.035 0.000 1.040 351 T CB 0.285 69.236 68.868 0.138 0.000 0.971 351 T HN 0.603 nan 8.240 nan 0.000 0.497 352 D N 0.194 120.558 120.400 -0.060 0.000 2.804 352 D HA 0.483 5.121 4.640 -0.004 0.000 0.209 352 D C 0.506 176.843 176.300 0.061 0.000 1.314 352 D CA 0.390 54.394 54.000 0.007 0.000 0.894 352 D CB 1.633 42.446 40.800 0.021 0.000 1.615 352 D HN 0.455 nan 8.370 nan 0.000 0.571 353 G N 2.541 111.403 108.800 0.103 0.000 2.593 353 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.237 353 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.237 353 G C -0.674 174.376 174.900 0.250 0.000 1.312 353 G CA -0.475 44.727 45.100 0.170 0.000 0.896 353 G HN 0.525 nan 8.290 nan 0.000 0.574 354 E N -0.520 119.828 120.200 0.247 0.000 2.356 354 E HA 0.656 5.004 4.350 -0.004 0.000 0.275 354 E C -0.151 176.285 176.600 -0.274 0.000 0.904 354 E CA -0.274 56.165 56.400 0.064 0.000 0.757 354 E CB 2.148 31.855 29.700 0.011 0.000 1.232 354 E HN 1.570 nan 8.360 nan 0.000 0.442 355 A N 1.452 123.933 122.820 -0.565 0.000 2.606 355 A HA 0.502 4.820 4.320 -0.004 0.000 0.293 355 A C -1.862 175.490 177.584 -0.388 0.000 1.082 355 A CA -0.682 50.891 52.037 -0.774 0.000 0.685 355 A CB 1.391 19.300 19.000 -1.819 0.000 1.284 355 A HN 0.710 nan 8.150 nan 0.000 0.408 356 H N 0.024 118.889 119.070 -0.342 0.000 2.519 356 H HA 0.583 5.136 4.556 -0.004 0.000 0.316 356 H C -0.579 174.656 175.328 -0.154 0.000 1.065 356 H CA 0.040 55.975 56.048 -0.188 0.000 1.264 356 H CB 1.295 30.964 29.762 -0.156 0.000 1.413 356 H HN 0.889 nan 8.280 nan 0.000 0.465 357 V N 4.915 124.638 119.914 -0.317 0.000 2.769 357 V HA 0.486 4.604 4.120 -0.004 0.000 0.312 357 V C -1.281 174.799 176.094 -0.024 0.000 1.061 357 V CA -0.542 61.691 62.300 -0.112 0.000 0.931 357 V CB 2.037 33.805 31.823 -0.091 0.000 1.010 357 V HN 0.902 nan 8.190 nan 0.000 0.433 358 Q N 3.867 123.687 119.800 0.033 0.000 2.353 358 Q HA 0.724 5.061 4.340 -0.004 0.000 0.268 358 Q C -1.530 174.527 176.000 0.095 0.000 1.045 358 Q CA -0.835 55.012 55.803 0.073 0.000 0.811 358 Q CB 2.681 31.442 28.738 0.037 0.000 1.305 358 Q HN 0.686 nan 8.270 nan 0.000 0.447 359 V N 2.315 122.313 119.914 0.140 0.000 2.487 359 V HA 0.453 4.570 4.120 -0.004 0.000 0.298 359 V C -0.432 175.696 176.094 0.056 0.000 1.028 359 V CA -0.782 61.590 62.300 0.122 0.000 0.860 359 V CB 1.821 33.749 31.823 0.175 0.000 0.991 359 V HN 0.529 nan 8.190 nan 0.000 0.427 360 V N 5.425 125.332 119.914 -0.013 0.000 2.495 360 V HA 0.433 4.550 4.120 -0.004 0.000 0.298 360 V C 0.365 176.252 176.094 -0.345 0.000 1.031 360 V CA -0.731 61.494 62.300 -0.125 0.000 0.871 360 V CB 1.549 33.320 31.823 -0.087 0.000 0.988 360 V HN 1.057 nan 8.190 nan 0.000 0.432 361 N N 2.984 121.365 118.700 -0.531 0.000 2.452 361 N HA 0.177 4.915 4.740 -0.004 0.000 0.296 361 N C 0.256 175.454 175.510 -0.520 0.000 1.304 361 N CA -0.147 52.319 53.050 -0.973 0.000 0.956 361 N CB 0.544 38.381 38.487 -1.085 0.000 1.106 361 N HN 0.671 nan 8.380 nan 0.000 0.555 362 D N -1.226 118.919 120.400 -0.426 0.000 2.323 362 D HA -0.129 4.509 4.640 -0.004 0.000 0.209 362 D C 0.925 177.130 176.300 -0.158 0.000 0.973 362 D CA 0.600 54.465 54.000 -0.224 0.000 0.874 362 D CB -0.692 40.031 40.800 -0.129 0.000 0.930 362 D HN 0.488 nan 8.370 nan 0.000 0.521 363 N N 0.300 118.905 118.700 -0.158 0.000 2.515 363 N HA 0.020 4.757 4.740 -0.004 0.000 0.185 363 N C 1.414 176.862 175.510 -0.102 0.000 1.109 363 N CA 1.213 54.200 53.050 -0.105 0.000 0.903 363 N CB 0.049 38.485 38.487 -0.085 0.000 0.969 363 N HN 0.335 nan 8.380 nan 0.000 0.450 364 G N -0.571 108.149 108.800 -0.132 0.000 2.176 364 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.253 364 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.253 364 G C -0.441 174.403 174.900 -0.094 0.000 0.979 364 G CA 0.247 45.284 45.100 -0.105 0.000 0.641 364 G HN 0.394 nan 8.290 nan 0.000 0.530 365 D N -0.207 120.129 120.400 -0.106 0.000 2.329 365 D HA 0.416 5.054 4.640 -0.004 0.000 0.246 365 D C 0.725 176.974 176.300 -0.086 0.000 1.111 365 D CA -0.284 53.667 54.000 -0.082 0.000 0.941 365 D CB 0.679 41.437 40.800 -0.071 0.000 1.169 365 D HN 0.249 nan 8.370 nan 0.000 0.441 366 R N 0.972 121.439 120.500 -0.054 0.000 2.196 366 R HA 0.207 4.544 4.340 -0.004 0.000 0.340 366 R C 0.814 177.107 176.300 -0.012 0.000 1.043 366 R CA -0.288 55.791 56.100 -0.035 0.000 0.883 366 R CB 0.489 30.770 30.300 -0.031 0.000 1.078 366 R HN 0.285 nan 8.270 nan 0.000 0.462 367 V N 2.272 122.200 119.914 0.023 0.000 3.650 367 V HA 0.368 4.486 4.120 -0.004 0.000 0.271 367 V C -0.001 176.207 176.094 0.189 0.000 1.281 367 V CA 0.109 62.459 62.300 0.083 0.000 1.120 367 V CB -0.352 31.535 31.823 0.106 0.000 0.856 367 V HN 0.538 nan 8.190 nan 0.000 0.443 368 F N 1.045 120.984 119.950 -0.018 0.000 2.650 368 F HA 0.663 5.188 4.527 -0.003 0.000 0.310 368 F C -1.989 173.762 175.800 -0.081 0.000 1.112 368 F CA -0.675 57.299 58.000 -0.042 0.000 0.986 368 F CB 2.101 41.079 39.000 -0.037 0.000 1.285 368 F HN 0.068 nan 8.300 nan 0.000 0.440 369 D N 3.977 123.902 120.400 -0.792 0.000 2.474 369 D HA 0.563 5.201 4.640 -0.004 0.000 0.234 369 D C -0.619 175.217 176.300 -0.773 0.000 1.323 369 D CA 0.491 54.167 54.000 -0.540 0.000 0.915 369 D CB 0.804 41.484 40.800 -0.200 0.000 1.487 369 D HN 1.023 nan 8.370 nan 0.000 0.524 370 G N 1.253 109.383 108.800 -1.116 0.000 2.321 370 G HA2 0.381 4.339 3.960 -0.004 0.000 0.296 370 G HA3 0.381 4.339 3.960 -0.004 0.000 0.296 370 G C -1.468 173.155 174.900 -0.462 0.000 1.287 370 G CA -0.879 43.753 45.100 -0.779 0.000 0.846 370 G HN 0.300 nan 8.290 nan 0.000 0.508 371 Q N -1.038 118.685 119.800 -0.128 0.000 2.299 371 Q HA 0.676 5.014 4.340 -0.004 0.000 0.246 371 Q C -0.527 175.530 176.000 0.094 0.000 0.935 371 Q CA -0.172 55.628 55.803 -0.004 0.000 0.887 371 Q CB 1.682 30.433 28.738 0.022 0.000 1.223 371 Q HN 0.589 nan 8.270 nan 0.000 0.439 372 V N 2.582 122.517 119.914 0.035 0.000 2.612 372 V HA 0.638 4.756 4.120 -0.004 0.000 0.301 372 V C -0.932 175.192 176.094 0.050 0.000 1.059 372 V CA -0.349 61.977 62.300 0.043 0.000 0.886 372 V CB 1.870 33.681 31.823 -0.020 0.000 1.007 372 V HN 0.953 nan 8.190 nan 0.000 0.426 373 S N 3.143 118.874 115.700 0.051 0.000 2.740 373 S HA 0.649 5.117 4.470 -0.004 0.000 0.300 373 S C -0.474 174.129 174.600 0.005 0.000 1.147 373 S CA -0.863 57.375 58.200 0.063 0.000 0.871 373 S CB 1.593 64.822 63.200 0.048 0.000 1.173 373 S HN 0.760 nan 8.310 nan 0.000 0.510 374 Q N -0.052 119.748 119.800 -0.000 0.000 2.618 374 Q HA 0.300 4.637 4.340 -0.004 0.000 0.344 374 Q C 1.366 177.311 176.000 -0.092 0.000 1.073 374 Q CA 1.812 57.576 55.803 -0.064 0.000 1.105 374 Q CB -0.734 28.002 28.738 -0.002 0.000 1.028 374 Q HN 1.748 nan 8.270 nan 0.000 0.397 375 G N 2.563 111.194 108.800 -0.282 0.000 2.205 375 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.261 375 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.261 375 G C -0.149 174.778 174.900 0.044 0.000 0.980 375 G CA 0.372 45.401 45.100 -0.118 0.000 0.632 375 G HN 0.639 nan 8.290 nan 0.000 0.533 376 Q N -0.570 119.188 119.800 -0.070 0.000 2.260 376 Q HA 0.721 5.059 4.340 -0.004 0.000 0.242 376 Q C -0.477 175.491 176.000 -0.055 0.000 0.932 376 Q CA -0.500 55.337 55.803 0.057 0.000 0.891 376 Q CB 2.092 30.848 28.738 0.030 0.000 1.222 376 Q HN 0.381 nan 8.270 nan 0.000 0.453 377 L N 2.341 123.563 121.223 -0.002 0.000 2.385 377 L HA 0.550 4.887 4.340 -0.004 0.000 0.273 377 L C -1.939 174.797 176.870 -0.223 0.000 0.990 377 L CA -0.750 53.939 54.840 -0.253 0.000 0.821 377 L CB 1.800 43.458 42.059 -0.668 0.000 1.279 377 L HN 0.531 nan 8.230 nan 0.000 0.412 378 L N 3.695 124.752 121.223 -0.277 0.000 2.381 378 L HA 0.648 4.986 4.340 -0.004 0.000 0.274 378 L C -0.569 176.151 176.870 -0.249 0.000 0.988 378 L CA 0.107 54.770 54.840 -0.294 0.000 0.824 378 L CB 2.044 43.856 42.059 -0.410 0.000 1.263 378 L HN 0.670 nan 8.230 nan 0.000 0.410 379 S N 5.792 121.368 115.700 -0.205 0.000 2.499 379 S HA 0.701 5.169 4.470 -0.004 0.000 0.279 379 S C -0.440 174.063 174.600 -0.162 0.000 1.219 379 S CA -0.472 57.626 58.200 -0.169 0.000 1.062 379 S CB 0.227 63.347 63.200 -0.134 0.000 0.978 379 S HN 0.520 nan 8.310 nan 0.000 0.489 380 I N 6.366 126.843 120.570 -0.155 0.000 2.563 380 I HA 0.324 4.492 4.170 -0.004 0.000 0.276 380 I C -2.544 173.442 176.117 -0.217 0.000 1.074 380 I CA -2.220 58.995 61.300 -0.142 0.000 1.124 380 I CB 1.900 39.875 38.000 -0.042 0.000 1.225 380 I HN 0.427 nan 8.210 nan 0.000 0.482 381 P HA 0.026 nan 4.420 nan 0.000 0.274 381 P C -0.502 176.661 177.300 -0.229 0.000 1.231 381 P CA -0.409 62.405 63.100 -0.477 0.000 0.790 381 P CB 0.514 31.698 31.700 -0.860 0.000 0.951 382 Q N 1.709 121.477 119.800 -0.053 0.000 2.751 382 Q HA -0.011 4.327 4.340 -0.004 0.000 0.338 382 Q C 0.901 177.014 176.000 0.188 0.000 1.085 382 Q CA 1.452 57.313 55.803 0.097 0.000 1.123 382 Q CB -1.101 27.688 28.738 0.084 0.000 0.975 382 Q HN 0.849 nan 8.270 nan 0.000 0.399 383 G N 3.480 112.453 108.800 0.288 0.000 2.308 383 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.221 383 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.221 383 G C -0.332 174.689 174.900 0.201 0.000 1.032 383 G CA -0.125 45.058 45.100 0.138 0.000 0.623 383 G HN 0.583 nan 8.290 nan 0.000 0.506 384 F N 3.198 123.157 119.950 0.016 0.000 2.607 384 F HA 0.454 4.978 4.527 -0.004 0.000 0.374 384 F C 1.265 177.121 175.800 0.093 0.000 1.104 384 F CA 0.059 58.074 58.000 0.024 0.000 1.296 384 F CB 0.814 39.830 39.000 0.027 0.000 1.085 384 F HN 0.230 nan 8.300 nan 0.000 0.584 385 S N 2.197 118.014 115.700 0.195 0.000 2.472 385 S HA 0.818 5.286 4.470 -0.004 0.000 0.303 385 S C -0.735 173.951 174.600 0.144 0.000 1.099 385 S CA -0.924 57.402 58.200 0.210 0.000 1.077 385 S CB 1.905 65.204 63.200 0.165 0.000 1.031 385 S HN 0.305 nan 8.310 nan 0.000 0.487 386 V N 2.504 122.497 119.914 0.133 0.000 2.588 386 V HA 0.646 4.763 4.120 -0.004 0.000 0.304 386 V C -0.468 175.648 176.094 0.035 0.000 1.042 386 V CA -0.750 61.592 62.300 0.070 0.000 0.877 386 V CB 1.732 33.583 31.823 0.046 0.000 0.996 386 V HN 0.759 nan 8.190 nan 0.000 0.425 387 V N 5.196 125.114 119.914 0.008 0.000 2.769 387 V HA 0.754 4.872 4.120 -0.004 0.000 0.312 387 V C -0.853 175.196 176.094 -0.074 0.000 1.061 387 V CA -0.566 61.720 62.300 -0.023 0.000 0.931 387 V CB 2.156 33.974 31.823 -0.009 0.000 1.010 387 V HN 1.016 nan 8.190 nan 0.000 0.433 388 K N 5.698 126.022 120.400 -0.127 0.000 2.535 388 K HA 0.619 4.936 4.320 -0.004 0.000 0.250 388 K C -1.097 175.365 176.600 -0.231 0.000 0.948 388 K CA -0.847 55.303 56.287 -0.228 0.000 0.796 388 K CB 2.633 34.915 32.500 -0.363 0.000 1.216 388 K HN 0.578 nan 8.250 nan 0.000 0.432 389 R N 1.856 122.216 120.500 -0.232 0.000 2.494 389 R HA 0.521 4.859 4.340 -0.004 0.000 0.305 389 R C -0.793 175.319 176.300 -0.313 0.000 0.959 389 R CA -0.469 55.504 56.100 -0.212 0.000 0.864 389 R CB 1.726 31.944 30.300 -0.137 0.000 1.159 389 R HN 0.892 nan 8.270 nan 0.000 0.446 390 A N 2.597 125.256 122.820 -0.268 0.000 2.407 390 A HA 0.261 4.579 4.320 -0.004 0.000 0.248 390 A C 0.409 177.886 177.584 -0.179 0.000 1.082 390 A CA -0.013 51.865 52.037 -0.266 0.000 0.785 390 A CB 1.106 20.081 19.000 -0.042 0.000 1.020 390 A HN 0.877 nan 8.150 nan 0.000 0.489 391 T N 0.052 114.512 114.554 -0.156 0.000 3.057 391 T HA 0.122 4.470 4.350 -0.004 0.000 0.254 391 T C 1.171 175.849 174.700 -0.035 0.000 0.965 391 T CA 0.731 62.773 62.100 -0.097 0.000 0.978 391 T CB -0.296 68.508 68.868 -0.105 0.000 1.169 391 T HN 0.963 nan 8.240 nan 0.000 0.489 392 S N 1.040 116.741 115.700 0.002 0.000 2.652 392 S HA 0.343 4.810 4.470 -0.004 0.000 0.267 392 S C 1.101 175.732 174.600 0.052 0.000 1.201 392 S CA -0.606 57.617 58.200 0.040 0.000 0.996 392 S CB 0.716 63.962 63.200 0.077 0.000 1.054 392 S HN 0.260 nan 8.310 nan 0.000 0.561 393 E N 0.782 121.017 120.200 0.058 0.000 2.049 393 E HA -0.189 4.159 4.350 -0.004 0.000 0.198 393 E C 0.785 177.434 176.600 0.081 0.000 1.007 393 E CA 1.503 57.939 56.400 0.060 0.000 0.809 393 E CB -0.043 29.690 29.700 0.055 0.000 0.749 393 E HN 0.801 nan 8.360 nan 0.000 0.450 394 Q N -0.855 119.008 119.800 0.105 0.000 2.359 394 Q HA 0.340 4.678 4.340 -0.004 0.000 0.274 394 Q C -1.367 174.758 176.000 0.209 0.000 1.074 394 Q CA -0.706 55.181 55.803 0.141 0.000 0.810 394 Q CB 1.349 30.157 28.738 0.118 0.000 1.342 394 Q HN -0.043 nan 8.270 nan 0.000 0.427 395 F N 2.801 122.787 119.950 0.060 0.000 2.415 395 F HA 0.571 5.096 4.527 -0.004 0.000 0.348 395 F C -0.878 175.038 175.800 0.195 0.000 1.119 395 F CA -0.574 57.471 58.000 0.075 0.000 1.069 395 F CB 1.102 40.100 39.000 -0.002 0.000 1.124 395 F HN 0.604 nan 8.300 nan 0.000 0.472 396 R N 5.661 125.937 120.500 -0.373 0.000 2.621 396 R HA 0.545 4.883 4.340 -0.004 0.000 0.284 396 R C -1.845 174.235 176.300 -0.367 0.000 0.998 396 R CA -0.869 55.073 56.100 -0.264 0.000 0.895 396 R CB 2.218 32.440 30.300 -0.130 0.000 1.195 396 R HN 0.864 nan 8.270 nan 0.000 0.450 397 W N 1.742 122.650 121.300 -0.653 0.000 3.005 397 W HA 0.660 5.318 4.660 -0.003 0.000 0.343 397 W C -1.971 174.246 176.519 -0.504 0.000 1.243 397 W CA -1.134 55.865 57.345 -0.576 0.000 1.186 397 W CB 0.989 30.054 29.460 -0.658 0.000 1.453 397 W HN 0.281 nan 8.180 nan 0.000 0.575 398 I N 2.470 122.755 120.570 -0.475 0.000 2.478 398 I HA 0.314 4.481 4.170 -0.004 0.000 0.287 398 I C -0.821 174.976 176.117 -0.532 0.000 1.042 398 I CA -1.265 59.557 61.300 -0.796 0.000 1.067 398 I CB 1.790 39.069 38.000 -1.203 0.000 1.233 398 I HN 0.715 nan 8.210 nan 0.000 0.431 399 E N 6.614 126.506 120.200 -0.512 0.000 2.197 399 E HA 0.376 4.723 4.350 -0.004 0.000 0.281 399 E C -1.457 174.866 176.600 -0.461 0.000 0.995 399 E CA -0.463 55.758 56.400 -0.298 0.000 0.808 399 E CB 1.537 31.187 29.700 -0.084 0.000 1.093 399 E HN 0.238 nan 8.360 nan 0.000 0.394 400 F N 2.774 122.682 119.950 -0.070 0.000 2.361 400 F HA 0.284 4.809 4.527 -0.004 0.000 0.364 400 F C 0.473 176.243 175.800 -0.050 0.000 1.117 400 F CA -0.797 57.169 58.000 -0.058 0.000 1.071 400 F CB 0.902 39.883 39.000 -0.031 0.000 1.188 400 F HN 0.053 nan 8.300 nan 0.000 0.464 401 K N 0.758 121.227 120.400 0.114 0.000 2.098 401 K HA 0.403 4.721 4.320 -0.004 0.000 0.258 401 K C 0.412 177.045 176.600 0.055 0.000 0.973 401 K CA -0.592 55.732 56.287 0.061 0.000 0.898 401 K CB 1.254 33.771 32.500 0.029 0.000 1.057 401 K HN 0.557 nan 8.250 nan 0.000 0.447 402 T N -1.239 113.335 114.554 0.032 0.000 3.268 402 T HA 0.136 4.483 4.350 -0.004 0.000 0.244 402 T C 0.003 174.715 174.700 0.020 0.000 0.915 402 T CA -0.632 61.478 62.100 0.018 0.000 0.935 402 T CB -0.607 68.265 68.868 0.007 0.000 1.110 402 T HN 0.396 nan 8.240 nan 0.000 0.573 403 N N -0.156 118.559 118.700 0.024 0.000 2.287 403 N HA 0.488 5.226 4.740 -0.004 0.000 0.289 403 N C 1.014 176.535 175.510 0.017 0.000 1.066 403 N CA -0.102 52.962 53.050 0.023 0.000 0.841 403 N CB 2.211 40.716 38.487 0.029 0.000 1.599 403 N HN 0.141 nan 8.380 nan 0.000 0.476 404 A N 2.823 125.646 122.820 0.006 0.000 1.927 404 A HA -0.165 4.153 4.320 -0.004 0.000 0.220 404 A C 0.871 178.462 177.584 0.011 0.000 1.185 404 A CA 1.461 53.493 52.037 -0.009 0.000 0.639 404 A CB -0.271 18.700 19.000 -0.047 0.000 0.820 404 A HN 0.684 nan 8.150 nan 0.000 0.451 405 N N -0.492 118.225 118.700 0.027 0.000 2.531 405 N HA 0.493 5.231 4.740 -0.004 0.000 0.268 405 N C -1.110 174.425 175.510 0.042 0.000 1.023 405 N CA 0.307 53.393 53.050 0.060 0.000 0.896 405 N CB 1.483 40.042 38.487 0.120 0.000 1.233 405 N HN 0.282 nan 8.380 nan 0.000 0.512 406 A N 2.868 125.704 122.820 0.027 0.000 2.331 406 A HA 0.359 4.677 4.320 -0.004 0.000 0.283 406 A C 0.026 177.603 177.584 -0.011 0.000 1.142 406 A CA -0.431 51.612 52.037 0.010 0.000 0.812 406 A CB 0.643 19.645 19.000 0.004 0.000 1.074 406 A HN 0.688 nan 8.150 nan 0.000 0.497 407 Q N 2.194 121.980 119.800 -0.024 0.000 2.368 407 Q HA 0.516 4.853 4.340 -0.004 0.000 0.256 407 Q C -0.859 175.061 176.000 -0.133 0.000 0.980 407 Q CA 0.015 55.779 55.803 -0.066 0.000 0.887 407 Q CB 0.417 29.123 28.738 -0.053 0.000 1.221 407 Q HN 0.650 nan 8.270 nan 0.000 0.458 408 I N 3.038 123.516 120.570 -0.152 0.000 2.428 408 I HA 0.320 4.488 4.170 -0.004 0.000 0.289 408 I C -0.154 175.742 176.117 -0.368 0.000 1.019 408 I CA -0.722 60.440 61.300 -0.230 0.000 1.351 408 I CB 0.988 38.906 38.000 -0.137 0.000 1.412 408 I HN 0.504 nan 8.210 nan 0.000 0.513 409 N N 3.970 122.264 118.700 -0.677 0.000 2.407 409 N HA 0.320 5.057 4.740 -0.004 0.000 0.277 409 N C -0.405 174.713 175.510 -0.653 0.000 0.995 409 N CA -0.420 52.109 53.050 -0.869 0.000 0.903 409 N CB 2.052 39.499 38.487 -1.733 0.000 1.218 409 N HN 0.637 nan 8.380 nan 0.000 0.487 410 T N -0.947 113.417 114.554 -0.316 0.000 2.922 410 T HA 0.442 4.790 4.350 -0.004 0.000 0.285 410 T C 1.346 176.044 174.700 -0.005 0.000 1.005 410 T CA -0.602 61.426 62.100 -0.119 0.000 1.061 410 T CB 0.950 69.778 68.868 -0.067 0.000 1.007 410 T HN 0.312 nan 8.240 nan 0.000 0.502 411 L N 0.611 121.888 121.223 0.089 0.000 2.463 411 L HA 0.445 4.783 4.340 -0.004 0.000 0.219 411 L C 1.263 178.164 176.870 0.052 0.000 1.088 411 L CA 0.040 54.959 54.840 0.132 0.000 0.849 411 L CB -0.086 42.068 42.059 0.159 0.000 1.012 411 L HN 0.878 nan 8.230 nan 0.000 0.468 412 A N -0.407 122.426 122.820 0.022 0.000 2.393 412 A HA 0.759 5.077 4.320 -0.004 0.000 0.306 412 A C -0.045 177.535 177.584 -0.006 0.000 1.050 412 A CA 0.075 52.111 52.037 -0.002 0.000 0.724 412 A CB 1.327 20.325 19.000 -0.004 0.000 1.248 412 A HN 0.208 nan 8.150 nan 0.000 0.424 413 G N 0.706 109.497 108.800 -0.014 0.000 2.331 413 G HA2 0.185 4.143 3.960 -0.004 0.000 0.479 413 G HA3 0.185 4.143 3.960 -0.004 0.000 0.479 413 G C 0.316 175.213 174.900 -0.006 0.000 1.262 413 G CA 0.299 45.397 45.100 -0.003 0.000 1.029 413 G HN 1.496 nan 8.290 nan 0.000 0.487 414 R N -0.449 120.059 120.500 0.013 0.000 2.189 414 R HA 0.053 4.391 4.340 -0.004 0.000 0.223 414 R C 2.261 178.565 176.300 0.008 0.000 1.092 414 R CA 3.021 59.137 56.100 0.026 0.000 0.989 414 R CB -0.525 29.798 30.300 0.040 0.000 0.876 414 R HN 0.969 nan 8.270 nan 0.000 0.457 415 T N -3.042 111.505 114.554 -0.011 0.000 3.085 415 T HA 0.205 4.552 4.350 -0.004 0.000 0.264 415 T C 0.468 175.146 174.700 -0.038 0.000 1.019 415 T CA 0.076 62.161 62.100 -0.025 0.000 0.910 415 T CB -0.115 68.731 68.868 -0.037 0.000 1.059 415 T HN 0.161 nan 8.240 nan 0.000 0.542 416 S N 0.813 116.493 115.700 -0.034 0.000 2.558 416 S HA -0.020 4.448 4.470 -0.004 0.000 0.297 416 S C 1.624 176.219 174.600 -0.008 0.000 1.283 416 S CA 0.138 58.323 58.200 -0.024 0.000 1.044 416 S CB 0.730 63.909 63.200 -0.035 0.000 0.789 416 S HN 0.338 nan 8.310 nan 0.000 0.500 417 V N 5.492 125.431 119.914 0.042 0.000 2.407 417 V HA -0.088 4.030 4.120 -0.004 0.000 0.248 417 V C 2.026 178.158 176.094 0.063 0.000 1.055 417 V CA 2.053 64.409 62.300 0.094 0.000 1.049 417 V CB -0.586 31.387 31.823 0.251 0.000 0.662 417 V HN 0.864 nan 8.190 nan 0.000 0.455 418 L N 0.213 121.465 121.223 0.048 0.000 2.093 418 L HA -0.072 4.265 4.340 -0.004 0.000 0.208 418 L C 2.582 179.414 176.870 -0.063 0.000 1.085 418 L CA 2.200 57.050 54.840 0.016 0.000 0.755 418 L CB -1.219 40.852 42.059 0.019 0.000 0.904 418 L HN 0.350 nan 8.230 nan 0.000 0.435 419 R N -0.148 120.287 120.500 -0.107 0.000 2.170 419 R HA -0.139 4.198 4.340 -0.004 0.000 0.242 419 R C 1.798 178.031 176.300 -0.112 0.000 1.145 419 R CA 1.410 57.392 56.100 -0.197 0.000 0.984 419 R CB -0.617 29.598 30.300 -0.143 0.000 0.869 419 R HN 0.366 nan 8.270 nan 0.000 0.455 420 G N -1.182 107.594 108.800 -0.040 0.000 3.284 420 G HA2 0.183 4.140 3.960 -0.004 0.000 0.236 420 G HA3 0.183 4.140 3.960 -0.004 0.000 0.236 420 G C -0.529 174.375 174.900 0.007 0.000 1.158 420 G CA -0.374 44.724 45.100 -0.003 0.000 0.774 420 G HN 0.031 nan 8.290 nan 0.000 0.545 421 L N 0.740 121.959 121.223 -0.005 0.000 2.334 421 L HA 0.509 4.846 4.340 -0.004 0.000 0.275 421 L C -2.179 174.697 176.870 0.009 0.000 1.036 421 L CA -2.748 52.096 54.840 0.006 0.000 0.807 421 L CB 1.772 43.837 42.059 0.010 0.000 1.231 421 L HN -0.168 nan 8.230 nan 0.000 0.438 422 P HA 0.120 nan 4.420 nan 0.000 0.268 422 P C 0.901 178.221 177.300 0.034 0.000 1.205 422 P CA -0.279 62.841 63.100 0.033 0.000 0.771 422 P CB 0.620 32.335 31.700 0.025 0.000 0.858 423 L N 2.447 123.703 121.223 0.055 0.000 2.021 423 L HA -0.263 4.074 4.340 -0.004 0.000 0.215 423 L C 2.259 179.154 176.870 0.041 0.000 1.074 423 L CA 1.889 56.765 54.840 0.060 0.000 0.760 423 L CB -0.841 41.269 42.059 0.084 0.000 0.889 423 L HN 0.503 nan 8.230 nan 0.000 0.433 424 E N -0.919 119.299 120.200 0.030 0.000 2.333 424 E HA -0.141 4.207 4.350 -0.004 0.000 0.198 424 E C 2.120 178.718 176.600 -0.004 0.000 1.007 424 E CA 1.253 57.663 56.400 0.016 0.000 0.845 424 E CB -0.503 29.205 29.700 0.013 0.000 0.766 424 E HN 0.424 nan 8.360 nan 0.000 0.507 425 V N 1.336 121.245 119.914 -0.008 0.000 2.535 425 V HA -0.126 3.991 4.120 -0.004 0.000 0.246 425 V C 2.378 178.430 176.094 -0.070 0.000 1.045 425 V CA 0.901 63.176 62.300 -0.040 0.000 1.058 425 V CB -0.336 31.468 31.823 -0.032 0.000 0.689 425 V HN 0.144 nan 8.190 nan 0.000 0.461 426 I N 0.931 121.497 120.570 -0.007 0.000 2.202 426 I HA -0.212 3.955 4.170 -0.004 0.000 0.242 426 I C 2.717 178.884 176.117 0.083 0.000 1.091 426 I CA 1.842 63.182 61.300 0.066 0.000 1.368 426 I CB -0.243 37.833 38.000 0.126 0.000 1.058 426 I HN 0.482 nan 8.210 nan 0.000 0.410 427 S N 0.342 116.075 115.700 0.056 0.000 2.357 427 S HA -0.120 4.347 4.470 -0.004 0.000 0.221 427 S C 1.735 176.345 174.600 0.017 0.000 1.031 427 S CA 0.962 59.197 58.200 0.058 0.000 0.982 427 S CB -0.627 62.602 63.200 0.047 0.000 0.853 427 S HN 0.418 nan 8.310 nan 0.000 0.458 428 N N 1.653 120.342 118.700 -0.018 0.000 2.459 428 N HA 0.010 4.748 4.740 -0.004 0.000 0.181 428 N C 1.753 177.208 175.510 -0.091 0.000 1.046 428 N CA 0.986 54.012 53.050 -0.040 0.000 0.904 428 N CB -0.367 38.098 38.487 -0.037 0.000 0.964 428 N HN 0.661 nan 8.380 nan 0.000 0.444 429 G N 0.041 108.735 108.800 -0.177 0.000 2.404 429 G HA2 -0.163 3.795 3.960 -0.004 0.000 0.213 429 G HA3 -0.163 3.795 3.960 -0.004 0.000 0.213 429 G C 0.784 175.445 174.900 -0.399 0.000 1.189 429 G CA 0.345 45.224 45.100 -0.368 0.000 0.796 429 G HN 0.276 nan 8.290 nan 0.000 0.532 430 Y N 0.307 120.602 120.300 -0.008 0.000 2.466 430 Y HA 0.307 4.855 4.550 -0.004 0.000 0.272 430 Y C 1.005 176.901 175.900 -0.007 0.000 1.169 430 Y CA -0.347 57.748 58.100 -0.009 0.000 1.285 430 Y CB -0.125 38.330 38.460 -0.009 0.000 1.078 430 Y HN 0.238 nan 8.280 nan 0.000 0.523 431 Q N 0.820 120.665 119.800 0.075 0.000 2.454 431 Q HA -0.200 4.138 4.340 -0.004 0.000 0.341 431 Q C -0.468 175.575 176.000 0.072 0.000 1.437 431 Q CA 0.682 56.517 55.803 0.054 0.000 0.935 431 Q CB -1.927 26.833 28.738 0.036 0.000 1.164 431 Q HN 0.690 nan 8.270 nan 0.000 0.373 432 I N -4.250 116.371 120.570 0.086 0.000 3.264 432 I HA 0.666 4.834 4.170 -0.004 0.000 0.309 432 I C 0.299 176.447 176.117 0.052 0.000 1.099 432 I CA -1.380 59.961 61.300 0.070 0.000 0.989 432 I CB 1.732 39.781 38.000 0.082 0.000 1.250 432 I HN -0.077 nan 8.210 nan 0.000 0.478 433 S N 1.574 117.299 115.700 0.043 0.000 2.572 433 S HA 0.108 4.575 4.470 -0.004 0.000 0.279 433 S C 0.830 175.456 174.600 0.044 0.000 1.341 433 S CA -0.551 57.671 58.200 0.037 0.000 1.043 433 S CB 0.975 64.193 63.200 0.030 0.000 0.887 433 S HN 0.567 nan 8.310 nan 0.000 0.516 434 L N 2.832 124.079 121.223 0.040 0.000 2.127 434 L HA -0.108 4.230 4.340 -0.004 0.000 0.211 434 L C 1.892 178.794 176.870 0.054 0.000 1.089 434 L CA 1.864 56.732 54.840 0.047 0.000 0.757 434 L CB -1.298 40.784 42.059 0.039 0.000 0.899 434 L HN 0.672 nan 8.230 nan 0.000 0.434 435 E N -0.545 119.681 120.200 0.044 0.000 2.028 435 E HA -0.199 4.149 4.350 -0.004 0.000 0.191 435 E C 2.095 178.726 176.600 0.052 0.000 0.988 435 E CA 1.379 57.806 56.400 0.045 0.000 0.799 435 E CB -0.297 29.422 29.700 0.032 0.000 0.755 435 E HN 0.488 nan 8.360 nan 0.000 0.447 436 E N 0.431 120.657 120.200 0.044 0.000 2.118 436 E HA -0.237 4.111 4.350 -0.004 0.000 0.195 436 E C 2.013 178.643 176.600 0.051 0.000 0.992 436 E CA 1.059 57.483 56.400 0.040 0.000 0.804 436 E CB -0.174 29.545 29.700 0.031 0.000 0.741 436 E HN 0.311 nan 8.360 nan 0.000 0.458 437 A N 1.412 124.271 122.820 0.065 0.000 1.877 437 A HA -0.210 4.107 4.320 -0.004 0.000 0.216 437 A C 2.087 179.728 177.584 0.094 0.000 1.186 437 A CA 1.364 53.446 52.037 0.076 0.000 0.620 437 A CB -0.490 18.559 19.000 0.083 0.000 0.822 437 A HN 0.084 nan 8.150 nan 0.000 0.443 438 R N -0.138 120.440 120.500 0.130 0.000 2.119 438 R HA -0.216 4.122 4.340 -0.004 0.000 0.246 438 R C 2.336 178.778 176.300 0.236 0.000 1.146 438 R CA 2.065 58.301 56.100 0.226 0.000 0.962 438 R CB -0.311 30.085 30.300 0.160 0.000 0.863 438 R HN 0.597 nan 8.270 nan 0.000 0.442 439 R N -0.495 120.082 120.500 0.129 0.000 2.064 439 R HA -0.076 4.261 4.340 -0.004 0.000 0.228 439 R C 2.416 178.754 176.300 0.063 0.000 1.144 439 R CA 1.619 57.778 56.100 0.098 0.000 0.932 439 R CB -0.592 29.741 30.300 0.055 0.000 0.833 439 R HN 0.044 nan 8.270 nan 0.000 0.429 440 V N 1.768 121.695 119.914 0.021 0.000 2.313 440 V HA -0.345 3.773 4.120 -0.004 0.000 0.253 440 V C 2.324 178.381 176.094 -0.061 0.000 1.070 440 V CA 2.110 64.395 62.300 -0.025 0.000 1.057 440 V CB -0.497 31.302 31.823 -0.040 0.000 0.653 440 V HN 0.360 nan 8.190 nan 0.000 0.450 441 K N -1.716 118.620 120.400 -0.108 0.000 2.296 441 K HA -0.039 4.279 4.320 -0.004 0.000 0.200 441 K C 1.644 177.917 176.600 -0.545 0.000 1.048 441 K CA 1.285 57.357 56.287 -0.358 0.000 0.966 441 K CB 0.096 32.296 32.500 -0.500 0.000 0.754 441 K HN 0.473 nan 8.250 nan 0.000 0.466 442 F N -0.534 119.427 119.950 0.018 0.000 2.784 442 F HA 0.178 4.703 4.527 -0.004 0.000 0.316 442 F C 1.538 177.344 175.800 0.011 0.000 1.026 442 F CA -0.406 57.603 58.000 0.015 0.000 1.188 442 F CB -0.144 38.865 39.000 0.015 0.000 0.999 442 F HN -0.105 nan 8.300 nan 0.000 0.605 443 N N 0.312 119.109 118.700 0.162 0.000 2.061 443 N HA -0.118 4.620 4.740 -0.004 0.000 0.193 443 N C 0.566 176.121 175.510 0.075 0.000 1.030 443 N CA 1.379 54.489 53.050 0.100 0.000 0.856 443 N CB -0.806 37.718 38.487 0.061 0.000 1.023 443 N HN 0.041 nan 8.380 nan 0.000 0.424 444 T N 1.504 116.092 114.554 0.056 0.000 2.737 444 T HA 0.246 4.594 4.350 -0.004 0.000 0.296 444 T C 1.619 176.353 174.700 0.056 0.000 0.922 444 T CA -0.288 61.838 62.100 0.043 0.000 1.079 444 T CB 0.563 69.444 68.868 0.022 0.000 0.892 444 T HN 0.238 nan 8.240 nan 0.000 0.514 445 I N 0.334 120.938 120.570 0.058 0.000 3.854 445 I HA 0.272 4.439 4.170 -0.004 0.000 0.312 445 I C 0.984 177.130 176.117 0.047 0.000 1.273 445 I CA -0.497 60.841 61.300 0.063 0.000 1.298 445 I CB 0.015 38.053 38.000 0.063 0.000 1.071 445 I HN 0.440 nan 8.210 nan 0.000 0.428 446 E N 1.925 122.149 120.200 0.040 0.000 2.418 446 E HA 0.041 4.389 4.350 -0.004 0.000 0.261 446 E C -0.017 176.601 176.600 0.029 0.000 1.070 446 E CA 0.096 56.518 56.400 0.036 0.000 0.931 446 E CB 0.937 30.660 29.700 0.038 0.000 0.954 446 E HN 0.093 nan 8.360 nan 0.000 0.439 447 T N 1.553 116.123 114.554 0.026 0.000 2.901 447 T HA -0.010 4.338 4.350 -0.004 0.000 0.252 447 T C 1.199 175.905 174.700 0.011 0.000 1.035 447 T CA 1.491 63.600 62.100 0.016 0.000 1.142 447 T CB 0.141 69.018 68.868 0.015 0.000 0.869 447 T HN 0.565 nan 8.240 nan 0.000 0.442 448 T N 0.096 114.663 114.554 0.022 0.000 3.313 448 T HA 0.432 4.780 4.350 -0.004 0.000 0.266 448 T C 0.191 174.914 174.700 0.039 0.000 0.987 448 T CA -0.286 61.829 62.100 0.026 0.000 1.086 448 T CB 0.246 69.133 68.868 0.030 0.000 1.159 448 T HN 0.036 nan 8.240 nan 0.000 0.450 449 L N 1.787 123.039 121.223 0.048 0.000 2.379 449 L HA 0.671 5.009 4.340 -0.004 0.000 0.269 449 L C 0.005 176.903 176.870 0.047 0.000 1.084 449 L CA -0.031 54.841 54.840 0.054 0.000 0.802 449 L CB 1.704 43.802 42.059 0.064 0.000 1.175 449 L HN 0.234 nan 8.230 nan 0.000 0.448 450 T N -0.200 114.381 114.554 0.045 0.000 2.749 450 T HA 0.273 4.621 4.350 -0.004 0.000 0.310 450 T C -1.454 173.286 174.700 0.067 0.000 1.496 450 T CA -0.613 61.521 62.100 0.057 0.000 1.006 450 T CB 1.207 70.100 68.868 0.042 0.000 1.457 450 T HN 0.649 nan 8.240 nan 0.000 0.497 451 H N 0.624 119.697 119.070 0.005 0.000 2.482 451 H HA 0.784 5.338 4.556 -0.004 0.000 0.344 451 H C 0.518 175.842 175.328 -0.007 0.000 1.151 451 H CA 1.052 57.100 56.048 -0.000 0.000 1.300 451 H CB 1.140 30.903 29.762 0.001 0.000 1.494 451 H HN 0.806 nan 8.280 nan 0.000 0.542 452 S N 1.806 117.343 115.700 -0.272 0.000 4.078 452 S HA 0.633 5.101 4.470 -0.004 0.000 0.290 452 S C -0.977 173.543 174.600 -0.135 0.000 1.069 452 S CA -0.031 58.107 58.200 -0.103 0.000 1.246 452 S CB 0.522 63.670 63.200 -0.086 0.000 1.659 452 S HN 0.881 nan 8.310 nan 0.000 0.624 453 S N 0.000 115.637 115.700 -0.104 0.000 2.498 453 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 453 S CA 0.000 58.148 58.200 -0.086 0.000 1.107 453 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 453 S HN 0.000 nan 8.310 nan 0.000 0.517