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 3gbm_1_C DATA FIRST_RESID 9 DATA SEQUENCE PGDQICIGYH ANNSTEQVDT IMEKNVTVTH AQDILEKKHN GKLcDLGVKP DATA SEQUENCE LILRDcSVAG WLLGNPMcDE FINVEWSYIV EKANPVNLcY PGDFNDYEEL DATA SEQUENCE KHLLSRINHF EKIQIISSWS SHEALGVSSA cPYQGKSSFF RNVVWLIKKN DATA SEQUENCE STYPTIKRSY NNTNQEDLLV LWGIHHPNDA AEQTKLYQNP TTYISVGTST DATA SEQUENCE LNQRLVPRIA TRSKVNGQSG RMEFFWTILK PNDAINFESN GNFIAPEYAY DATA SEQUENCE KVKKGDSTIM KSELEYGNcN TKcQTPMGAI NSSMPFHNIH PLTIGEcPKY DATA SEQUENCE VKSNRLVLAT GLRNSP 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 9 P HA 0.000 nan 4.420 nan 0.000 0.216 9 P C 0.000 177.300 177.300 -0.000 0.000 1.155 9 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 9 P CB 0.000 31.700 31.700 -0.001 0.000 0.726 10 G N 0.947 109.747 108.800 -0.000 0.000 2.753 10 G HA2 0.530 4.491 3.960 0.001 0.000 0.297 10 G HA3 0.530 4.491 3.960 0.001 0.000 0.297 10 G C -1.255 173.645 174.900 -0.000 0.000 1.430 10 G CA -0.604 44.496 45.100 -0.000 0.000 1.040 10 G HN 0.418 nan 8.290 nan 0.000 0.530 11 D N 0.673 121.073 120.400 0.000 0.000 2.400 11 D HA 0.313 4.954 4.640 0.001 0.000 0.238 11 D C 0.603 176.903 176.300 0.000 0.000 1.157 11 D CA 0.672 54.672 54.000 0.000 0.000 0.889 11 D CB 0.994 41.794 40.800 0.001 0.000 1.199 11 D HN 0.585 nan 8.370 nan 0.000 0.436 12 Q N -0.019 119.781 119.800 0.000 0.000 2.456 12 Q HA 0.710 5.051 4.340 0.001 0.000 0.284 12 Q C -1.078 174.923 176.000 0.001 0.000 1.061 12 Q CA -0.938 54.865 55.803 0.001 0.000 0.799 12 Q CB 2.315 31.053 28.738 0.000 0.000 1.445 12 Q HN 0.457 nan 8.270 nan 0.000 0.411 13 I N 0.414 120.986 120.570 0.003 0.000 2.689 13 I HA 0.655 4.825 4.170 0.001 0.000 0.299 13 I C -1.520 174.600 176.117 0.006 0.000 1.059 13 I CA -0.732 60.571 61.300 0.004 0.000 1.055 13 I CB 1.770 39.774 38.000 0.006 0.000 1.243 13 I HN 0.901 nan 8.210 nan 0.000 0.425 14 C N 6.878 126.181 119.300 0.006 0.000 2.626 14 C HA 0.591 5.052 4.460 0.001 0.000 0.310 14 C C -0.530 174.471 174.990 0.017 0.000 1.191 14 C CA -0.842 58.182 59.018 0.009 0.000 1.517 14 C CB 1.138 28.878 27.740 -0.000 0.000 2.102 14 C HN 0.386 nan 8.230 nan 0.000 0.479 15 I N 2.875 123.462 120.570 0.029 0.000 2.365 15 I HA 0.708 4.878 4.170 0.001 0.000 0.291 15 I C 0.719 176.874 176.117 0.063 0.000 1.004 15 I CA 0.395 61.722 61.300 0.045 0.000 1.311 15 I CB 0.335 38.365 38.000 0.049 0.000 1.401 15 I HN 0.969 nan 8.210 nan 0.000 0.491 16 G N 5.519 114.364 108.800 0.074 0.000 2.721 16 G HA2 0.687 4.648 3.960 0.001 0.000 0.296 16 G HA3 0.687 4.648 3.960 0.001 0.000 0.296 16 G C -1.829 173.169 174.900 0.164 0.000 1.383 16 G CA -0.536 44.612 45.100 0.079 0.000 0.788 16 G HN 0.512 nan 8.290 nan 0.000 0.500 17 Y N -2.035 118.290 120.300 0.042 0.000 2.602 17 Y HA 0.783 5.333 4.550 0.000 0.000 0.342 17 Y C -0.100 175.857 175.900 0.095 0.000 1.029 17 Y CA -1.526 56.617 58.100 0.072 0.000 1.080 17 Y CB 1.027 39.525 38.460 0.063 0.000 1.284 17 Y HN 0.749 nan 8.280 nan 0.000 0.485 18 H N 1.139 120.320 119.070 0.185 0.000 2.815 18 H HA 0.620 5.176 4.556 0.001 0.000 0.350 18 H C -0.824 174.561 175.328 0.095 0.000 1.080 18 H CA 0.511 56.620 56.048 0.101 0.000 1.433 18 H CB 0.726 30.571 29.762 0.138 0.000 1.432 18 H HN 0.993 nan 8.280 nan 0.000 0.592 19 A N 4.093 126.602 122.820 -0.519 0.000 2.479 19 A HA 0.617 4.938 4.320 0.001 0.000 0.296 19 A C -0.944 176.290 177.584 -0.583 0.000 1.121 19 A CA -0.385 51.417 52.037 -0.392 0.000 0.743 19 A CB 1.472 20.341 19.000 -0.218 0.000 1.323 19 A HN 1.008 nan 8.150 nan 0.000 0.415 20 N N -1.017 117.514 118.700 -0.283 0.000 3.277 20 N HA 0.236 4.977 4.740 0.001 0.000 0.278 20 N C -0.904 174.547 175.510 -0.098 0.000 1.544 20 N CA -0.743 52.200 53.050 -0.178 0.000 0.869 20 N CB 0.155 38.586 38.487 -0.093 0.000 1.584 20 N HN 0.205 nan 8.380 nan 0.000 0.564 21 N N -0.789 117.874 118.700 -0.062 0.000 2.449 21 N HA 0.039 4.779 4.740 0.001 0.000 0.191 21 N C -0.217 175.270 175.510 -0.038 0.000 1.161 21 N CA 0.102 53.126 53.050 -0.044 0.000 0.863 21 N CB -0.332 38.138 38.487 -0.028 0.000 0.980 21 N HN 0.610 nan 8.380 nan 0.000 0.458 22 S N 0.415 116.084 115.700 -0.053 0.000 2.561 22 S HA -0.008 4.463 4.470 0.001 0.000 0.294 22 S C 1.313 175.894 174.600 -0.032 0.000 1.294 22 S CA 0.388 58.559 58.200 -0.048 0.000 1.055 22 S CB 0.364 63.516 63.200 -0.082 0.000 0.819 22 S HN 0.502 nan 8.310 nan 0.000 0.503 23 T N 1.026 115.569 114.554 -0.020 0.000 3.040 23 T HA 0.325 4.675 4.350 0.001 0.000 0.266 23 T C 0.129 174.824 174.700 -0.007 0.000 1.005 23 T CA -0.424 61.669 62.100 -0.012 0.000 0.906 23 T CB -0.190 68.673 68.868 -0.008 0.000 1.082 23 T HN 0.693 nan 8.240 nan 0.000 0.531 24 E N 2.510 122.706 120.200 -0.006 0.000 2.414 24 E HA 0.218 4.569 4.350 0.001 0.000 0.263 24 E C 0.111 176.713 176.600 0.002 0.000 1.000 24 E CA 0.065 56.466 56.400 0.002 0.000 0.914 24 E CB 0.363 30.068 29.700 0.008 0.000 0.948 24 E HN 0.676 nan 8.360 nan 0.000 0.444 25 Q N 0.614 120.417 119.800 0.005 0.000 2.423 25 Q HA 0.744 5.085 4.340 0.001 0.000 0.278 25 Q C -1.373 174.631 176.000 0.005 0.000 1.097 25 Q CA -0.984 54.821 55.803 0.004 0.000 0.809 25 Q CB 2.271 31.009 28.738 0.001 0.000 1.391 25 Q HN 0.338 nan 8.270 nan 0.000 0.428 26 V N 0.594 120.511 119.914 0.005 0.000 3.040 26 V HA 0.468 4.588 4.120 0.001 0.000 0.312 26 V C -1.639 174.454 176.094 -0.002 0.000 1.115 26 V CA -0.549 61.753 62.300 0.004 0.000 0.998 26 V CB 2.407 34.236 31.823 0.011 0.000 1.042 26 V HN 0.932 nan 8.190 nan 0.000 0.433 27 D N 2.260 122.656 120.400 -0.006 0.000 2.217 27 D HA 0.705 5.346 4.640 0.001 0.000 0.248 27 D C -0.105 176.189 176.300 -0.010 0.000 1.008 27 D CA 0.128 54.122 54.000 -0.010 0.000 0.914 27 D CB 2.117 42.907 40.800 -0.017 0.000 1.182 27 D HN 0.921 nan 8.370 nan 0.000 0.451 28 T N -2.159 112.389 114.554 -0.011 0.000 2.804 28 T HA 0.373 4.724 4.350 0.001 0.000 0.290 28 T C 0.896 175.589 174.700 -0.013 0.000 1.099 28 T CA -0.632 61.461 62.100 -0.011 0.000 1.011 28 T CB 0.915 69.777 68.868 -0.010 0.000 1.291 28 T HN 0.099 nan 8.240 nan 0.000 0.523 29 I N 0.122 120.685 120.570 -0.013 0.000 2.333 29 I HA 0.174 4.344 4.170 0.001 0.000 0.246 29 I C 2.231 178.341 176.117 -0.012 0.000 1.106 29 I CA 1.231 62.523 61.300 -0.013 0.000 1.411 29 I CB -0.216 37.777 38.000 -0.012 0.000 1.082 29 I HN 0.633 nan 8.210 nan 0.000 0.420 30 M N -0.844 118.749 119.600 -0.011 0.000 2.556 30 M HA 0.103 4.584 4.480 0.001 0.000 0.245 30 M C 0.012 176.307 176.300 -0.009 0.000 1.128 30 M CA 0.505 55.799 55.300 -0.009 0.000 1.069 30 M CB 0.057 32.651 32.600 -0.009 0.000 1.469 30 M HN 0.132 nan 8.290 nan 0.000 0.494 31 E N 1.125 121.319 120.200 -0.009 0.000 2.558 31 E HA 0.146 4.497 4.350 0.001 0.000 0.345 31 E C -1.052 175.543 176.600 -0.008 0.000 0.928 31 E CA -0.332 56.063 56.400 -0.008 0.000 0.774 31 E CB 1.263 30.958 29.700 -0.007 0.000 1.462 31 E HN -0.090 nan 8.360 nan 0.000 0.387 32 K N 2.183 122.578 120.400 -0.009 0.000 2.219 32 K HA 0.205 4.525 4.320 0.001 0.000 0.258 32 K C 0.165 176.761 176.600 -0.007 0.000 1.008 32 K CA -0.375 55.906 56.287 -0.009 0.000 0.928 32 K CB 0.245 32.739 32.500 -0.011 0.000 0.983 32 K HN 0.602 nan 8.250 nan 0.000 0.484 33 N N -0.716 117.980 118.700 -0.007 0.000 2.714 33 N HA -0.169 4.572 4.740 0.001 0.000 0.252 33 N C -0.811 174.697 175.510 -0.002 0.000 1.014 33 N CA 0.473 53.520 53.050 -0.004 0.000 0.735 33 N CB -1.687 36.798 38.487 -0.004 0.000 0.924 33 N HN 0.235 nan 8.380 nan 0.000 0.540 34 V N 0.499 120.412 119.914 -0.002 0.000 2.488 34 V HA 0.152 4.273 4.120 0.001 0.000 0.277 34 V C 1.179 177.274 176.094 0.003 0.000 1.046 34 V CA -0.191 62.109 62.300 0.000 0.000 0.986 34 V CB 1.389 33.212 31.823 -0.000 0.000 0.989 34 V HN 0.252 nan 8.190 nan 0.000 0.475 35 T N 4.679 119.235 114.554 0.004 0.000 2.913 35 T HA 0.530 4.880 4.350 0.001 0.000 0.297 35 T C -0.291 174.413 174.700 0.007 0.000 1.029 35 T CA -0.140 61.961 62.100 0.003 0.000 1.104 35 T CB 1.560 70.428 68.868 -0.000 0.000 0.964 35 T HN 0.464 nan 8.240 nan 0.000 0.532 36 V N 1.659 121.575 119.914 0.004 0.000 3.048 36 V HA 0.246 4.367 4.120 0.001 0.000 0.303 36 V C 0.939 177.025 176.094 -0.013 0.000 1.214 36 V CA -0.504 61.803 62.300 0.012 0.000 0.984 36 V CB 2.556 34.392 31.823 0.023 0.000 1.054 36 V HN 0.993 nan 8.190 nan 0.000 0.430 37 T N 3.015 117.564 114.554 -0.008 0.000 2.821 37 T HA 0.075 4.426 4.350 0.001 0.000 0.267 37 T C 0.221 174.654 174.700 -0.445 0.000 1.046 37 T CA 1.444 63.464 62.100 -0.134 0.000 1.139 37 T CB -0.276 68.621 68.868 0.050 0.000 0.871 37 T HN 0.667 nan 8.240 nan 0.000 0.454 38 H N -1.420 117.688 119.070 0.063 0.000 3.046 38 H HA 0.648 5.204 4.556 0.001 0.000 0.363 38 H C -0.811 174.536 175.328 0.031 0.000 1.203 38 H CA -0.785 55.289 56.048 0.043 0.000 1.169 38 H CB 1.881 31.663 29.762 0.032 0.000 1.851 38 H HN 0.236 nan 8.280 nan 0.000 0.546 39 A N 1.516 124.421 122.820 0.143 0.000 2.602 39 A HA 0.487 4.807 4.320 0.001 0.000 0.290 39 A C -1.426 176.202 177.584 0.073 0.000 1.114 39 A CA -0.624 51.464 52.037 0.086 0.000 0.683 39 A CB 2.557 21.590 19.000 0.055 0.000 1.281 39 A HN 0.441 nan 8.150 nan 0.000 0.416 40 Q N 1.263 121.097 119.800 0.057 0.000 2.771 40 Q HA 0.331 4.672 4.340 0.001 0.000 0.247 40 Q C -1.136 174.895 176.000 0.051 0.000 0.986 40 Q CA -0.352 55.481 55.803 0.050 0.000 0.713 40 Q CB 0.852 29.615 28.738 0.042 0.000 1.241 40 Q HN 0.759 nan 8.270 nan 0.000 0.488 41 D N 2.627 123.056 120.400 0.049 0.000 2.506 41 D HA -0.052 4.589 4.640 0.001 0.000 0.234 41 D C 0.145 176.486 176.300 0.068 0.000 1.143 41 D CA 0.694 54.725 54.000 0.053 0.000 0.871 41 D CB 0.713 41.541 40.800 0.046 0.000 1.190 41 D HN 0.774 nan 8.370 nan 0.000 0.459 42 I N 2.848 123.476 120.570 0.097 0.000 4.219 42 I HA 0.119 4.290 4.170 0.001 0.000 0.329 42 I C -0.755 175.493 176.117 0.218 0.000 1.427 42 I CA -0.242 61.142 61.300 0.140 0.000 1.151 42 I CB 0.613 38.714 38.000 0.170 0.000 1.369 42 I HN 0.193 nan 8.210 nan 0.000 0.521 43 L N 1.184 122.503 121.223 0.159 0.000 2.381 43 L HA 0.548 4.889 4.340 0.001 0.000 0.274 43 L C -0.411 176.532 176.870 0.122 0.000 0.988 43 L CA -0.280 54.660 54.840 0.166 0.000 0.824 43 L CB 1.549 43.658 42.059 0.082 0.000 1.263 43 L HN -0.073 nan 8.230 nan 0.000 0.410 44 E N 3.357 123.646 120.200 0.149 0.000 2.197 44 E HA 0.366 4.716 4.350 0.001 0.000 0.281 44 E C -0.281 176.405 176.600 0.143 0.000 0.995 44 E CA 0.215 56.694 56.400 0.132 0.000 0.808 44 E CB 1.296 31.076 29.700 0.135 0.000 1.093 44 E HN 0.610 nan 8.360 nan 0.000 0.394 45 K N 1.535 122.005 120.400 0.115 0.000 2.412 45 K HA 0.184 4.504 4.320 0.001 0.000 0.202 45 K C -0.327 176.363 176.600 0.150 0.000 1.102 45 K CA -0.110 56.247 56.287 0.117 0.000 1.027 45 K CB 0.964 33.513 32.500 0.082 0.000 0.931 45 K HN 0.101 nan 8.250 nan 0.000 0.557 46 K N 0.899 121.382 120.400 0.138 0.000 2.123 46 K HA 0.336 4.657 4.320 0.001 0.000 0.259 46 K C -0.842 175.878 176.600 0.200 0.000 0.960 46 K CA -0.810 55.564 56.287 0.145 0.000 0.872 46 K CB 1.245 33.786 32.500 0.068 0.000 1.079 46 K HN 0.423 nan 8.250 nan 0.000 0.440 47 H N -1.852 117.232 119.070 0.024 0.000 2.996 47 H HA 0.401 4.958 4.556 0.001 0.000 0.368 47 H C 0.560 175.888 175.328 0.000 0.000 1.185 47 H CA -0.930 55.123 56.048 0.008 0.000 1.160 47 H CB 0.958 30.726 29.762 0.011 0.000 1.820 47 H HN 0.486 nan 8.280 nan 0.000 0.547 48 N N 1.680 120.337 118.700 -0.072 0.000 2.573 48 N HA -0.010 4.730 4.740 0.001 0.000 0.187 48 N C 1.421 176.831 175.510 -0.166 0.000 1.107 48 N CA 0.916 53.893 53.050 -0.122 0.000 0.918 48 N CB -0.281 38.177 38.487 -0.050 0.000 0.966 48 N HN 1.200 nan 8.380 nan 0.000 0.448 49 G N -0.817 107.875 108.800 -0.180 0.000 2.162 49 G HA2 -0.317 3.643 3.960 0.001 0.000 0.260 49 G HA3 -0.317 3.643 3.960 0.001 0.000 0.260 49 G C -0.136 174.775 174.900 0.018 0.000 0.976 49 G CA 0.724 45.780 45.100 -0.073 0.000 0.655 49 G HN 0.567 nan 8.290 nan 0.000 0.533 50 K N -0.879 119.532 120.400 0.019 0.000 2.352 50 K HA 0.762 5.082 4.320 0.001 0.000 0.240 50 K C -0.219 176.402 176.600 0.035 0.000 1.017 50 K CA -1.018 55.270 56.287 0.001 0.000 0.851 50 K CB 1.650 34.121 32.500 -0.049 0.000 1.261 50 K HN 0.072 nan 8.250 nan 0.000 0.451 51 L N 1.764 123.012 121.223 0.042 0.000 2.280 51 L HA 0.389 4.729 4.340 0.001 0.000 0.287 51 L C -0.599 176.344 176.870 0.122 0.000 1.023 51 L CA -0.792 54.126 54.840 0.130 0.000 0.819 51 L CB 1.064 43.230 42.059 0.178 0.000 1.212 51 L HN 0.606 nan 8.230 nan 0.000 0.420 52 c N 0.585 119.287 118.600 0.169 0.000 2.531 52 c HA 0.484 5.054 4.570 0.001 0.000 0.369 52 c C 0.045 174.303 174.090 0.279 0.000 1.258 52 c CA -0.906 55.506 56.329 0.138 0.000 1.876 52 c CB 1.670 44.218 42.510 0.062 0.000 2.256 52 c HN 0.654 nan 8.230 nan 0.000 0.510 53 D N 0.389 120.930 120.400 0.236 0.000 2.344 53 D HA 0.336 4.976 4.640 0.001 0.000 0.244 53 D C 0.023 176.436 176.300 0.188 0.000 1.134 53 D CA -0.267 53.872 54.000 0.231 0.000 0.930 53 D CB 0.488 41.393 40.800 0.175 0.000 1.175 53 D HN 0.329 nan 8.370 nan 0.000 0.437 54 L N 1.052 122.390 121.223 0.191 0.000 2.984 54 L HA 0.313 4.654 4.340 0.001 0.000 0.246 54 L C 1.567 178.480 176.870 0.072 0.000 1.268 54 L CA -0.024 54.890 54.840 0.124 0.000 1.054 54 L CB -0.378 41.771 42.059 0.151 0.000 1.393 54 L HN 0.583 nan 8.230 nan 0.000 0.532 55 G N 0.452 109.275 108.800 0.040 0.000 3.909 55 G HA2 -0.199 3.762 3.960 0.001 0.000 0.273 55 G HA3 -0.199 3.762 3.960 0.001 0.000 0.273 55 G C 0.198 175.118 174.900 0.033 0.000 0.774 55 G CA 0.967 46.089 45.100 0.036 0.000 0.628 55 G HN 0.274 nan 8.290 nan 0.000 0.762 56 V N -0.288 119.657 119.914 0.050 0.000 2.447 56 V HA 0.284 4.404 4.120 0.001 0.000 0.292 56 V C 0.321 176.460 176.094 0.075 0.000 1.021 56 V CA -1.423 60.901 62.300 0.041 0.000 0.850 56 V CB 1.667 33.503 31.823 0.022 0.000 1.005 56 V HN 0.302 nan 8.190 nan 0.000 0.426 57 K N 6.464 126.891 120.400 0.046 0.000 2.295 57 K HA 0.353 4.674 4.320 0.001 0.000 0.270 57 K C -2.260 174.311 176.600 -0.048 0.000 1.011 57 K CA -1.342 54.955 56.287 0.017 0.000 0.953 57 K CB 1.229 33.686 32.500 -0.071 0.000 0.956 57 K HN 0.373 nan 8.250 nan 0.000 0.477 58 P HA -0.012 nan 4.420 nan 0.000 0.274 58 P C -0.743 176.343 177.300 -0.357 0.000 1.256 58 P CA -0.514 62.325 63.100 -0.436 0.000 0.795 58 P CB 0.495 31.560 31.700 -1.057 0.000 1.038 59 L N 2.674 123.617 121.223 -0.467 0.000 2.282 59 L HA 0.326 4.667 4.340 0.001 0.000 0.287 59 L C -0.156 176.341 176.870 -0.620 0.000 1.075 59 L CA -0.324 54.144 54.840 -0.619 0.000 0.839 59 L CB -1.125 40.258 42.059 -1.126 0.000 1.219 59 L HN 0.288 nan 8.230 nan 0.000 0.434 60 I N 6.490 126.801 120.570 -0.432 0.000 2.307 60 I HA 0.129 4.299 4.170 0.001 0.000 0.287 60 I C 0.591 176.540 176.117 -0.280 0.000 1.054 60 I CA -0.387 60.727 61.300 -0.311 0.000 1.218 60 I CB 1.016 38.915 38.000 -0.168 0.000 1.398 60 I HN 0.419 nan 8.210 nan 0.000 0.475 61 L N 7.242 128.199 121.223 -0.443 0.000 2.650 61 L HA 0.130 4.470 4.340 0.001 0.000 0.239 61 L C 2.029 178.854 176.870 -0.074 0.000 1.412 61 L CA 0.113 54.633 54.840 -0.533 0.000 1.219 61 L CB -0.846 40.863 42.059 -0.584 0.000 1.534 61 L HN 0.688 nan 8.230 nan 0.000 0.430 62 R N 1.065 121.639 120.500 0.125 0.000 2.305 62 R HA -0.299 4.041 4.340 0.001 0.000 0.226 62 R C 0.624 176.959 176.300 0.058 0.000 1.105 62 R CA 2.739 58.895 56.100 0.093 0.000 0.832 62 R CB -0.052 30.318 30.300 0.116 0.000 0.982 62 R HN 0.492 nan 8.270 nan 0.000 0.391 63 D N -1.514 118.943 120.400 0.095 0.000 2.527 63 D HA 0.180 4.820 4.640 0.001 0.000 0.224 63 D C -0.465 175.879 176.300 0.072 0.000 1.217 63 D CA -0.118 53.919 54.000 0.062 0.000 0.819 63 D CB 0.491 41.324 40.800 0.055 0.000 1.061 63 D HN 0.187 nan 8.370 nan 0.000 0.515 64 c N 1.073 119.731 118.600 0.097 0.000 2.382 64 c HA 0.617 5.187 4.570 0.001 0.000 0.363 64 c C 1.079 175.170 174.090 0.002 0.000 1.213 64 c CA -0.633 55.746 56.329 0.084 0.000 2.363 64 c CB 1.239 43.857 42.510 0.179 0.000 2.397 64 c HN 0.286 nan 8.230 nan 0.000 0.573 65 S N 0.682 116.405 115.700 0.038 0.000 2.722 65 S HA 0.442 4.912 4.470 0.001 0.000 0.292 65 S C 0.705 175.355 174.600 0.084 0.000 1.135 65 S CA -0.600 57.624 58.200 0.040 0.000 1.003 65 S CB 0.829 64.069 63.200 0.065 0.000 1.067 65 S HN 0.475 nan 8.310 nan 0.000 0.546 66 V N 1.493 121.475 119.914 0.113 0.000 2.380 66 V HA -0.188 3.933 4.120 0.001 0.000 0.251 66 V C 2.977 179.120 176.094 0.082 0.000 1.063 66 V CA 2.470 64.873 62.300 0.172 0.000 1.055 66 V CB -1.859 29.991 31.823 0.045 0.000 0.657 66 V HN 0.988 nan 8.190 nan 0.000 0.455 67 A N 0.642 123.501 122.820 0.065 0.000 1.877 67 A HA -0.072 4.249 4.320 0.001 0.000 0.216 67 A C 2.466 180.040 177.584 -0.016 0.000 1.186 67 A CA 1.891 53.910 52.037 -0.030 0.000 0.620 67 A CB -1.318 17.567 19.000 -0.191 0.000 0.822 67 A HN 0.526 nan 8.150 nan 0.000 0.443 68 G N -1.441 107.398 108.800 0.065 0.000 2.442 68 G HA2 -0.283 3.677 3.960 0.001 0.000 0.219 68 G HA3 -0.283 3.677 3.960 0.001 0.000 0.219 68 G C 1.357 176.370 174.900 0.189 0.000 1.141 68 G CA 1.274 46.459 45.100 0.143 0.000 0.763 68 G HN 0.728 nan 8.290 nan 0.000 0.554 69 W N 1.098 122.371 121.300 -0.045 0.000 2.413 69 W HA 0.137 4.797 4.660 0.001 0.000 0.315 69 W C 2.218 178.704 176.519 -0.053 0.000 1.186 69 W CA 0.985 58.293 57.345 -0.062 0.000 1.326 69 W CB -0.775 28.536 29.460 -0.249 0.000 1.153 69 W HN 0.108 nan 8.180 nan 0.000 0.489 70 L N 0.495 121.386 121.223 -0.553 0.000 2.027 70 L HA -0.081 4.259 4.340 0.001 0.000 0.206 70 L C 1.275 177.965 176.870 -0.301 0.000 1.074 70 L CA 0.604 54.971 54.840 -0.789 0.000 0.745 70 L CB -1.184 40.363 42.059 -0.853 0.000 0.898 70 L HN -0.150 nan 8.230 nan 0.000 0.433 71 L N -0.227 120.814 121.223 -0.302 0.000 2.439 71 L HA 0.126 4.466 4.340 0.001 0.000 0.269 71 L C 1.070 177.890 176.870 -0.084 0.000 1.179 71 L CA -0.211 54.398 54.840 -0.386 0.000 0.828 71 L CB 0.204 41.667 42.059 -0.994 0.000 1.106 71 L HN 0.017 nan 8.230 nan 0.000 0.467 72 G N 1.611 110.425 108.800 0.023 0.000 3.401 72 G HA2 -0.070 3.891 3.960 0.001 0.000 0.251 72 G HA3 -0.070 3.891 3.960 0.001 0.000 0.251 72 G C 0.396 175.377 174.900 0.135 0.000 0.960 72 G CA -0.370 44.784 45.100 0.090 0.000 1.900 72 G HN 0.695 nan 8.290 nan 0.000 0.645 73 N N 1.806 120.644 118.700 0.231 0.000 2.292 73 N HA -0.010 4.731 4.740 0.001 0.000 0.258 73 N C -0.786 174.667 175.510 -0.094 0.000 1.261 73 N CA -1.088 51.971 53.050 0.015 0.000 0.845 73 N CB 1.730 40.276 38.487 0.099 0.000 1.064 73 N HN 0.068 nan 8.380 nan 0.000 0.471 74 P HA -0.153 nan 4.420 nan 0.000 0.215 74 P C 1.394 178.572 177.300 -0.203 0.000 1.153 74 P CA 1.304 64.257 63.100 -0.244 0.000 0.853 74 P CB 0.131 31.723 31.700 -0.180 0.000 0.788 75 M N -1.433 118.118 119.600 -0.081 0.000 2.700 75 M HA -0.050 4.431 4.480 0.001 0.000 0.249 75 M C 1.054 177.347 176.300 -0.012 0.000 1.082 75 M CA 0.832 56.122 55.300 -0.016 0.000 1.077 75 M CB -0.905 31.706 32.600 0.017 0.000 1.477 75 M HN 0.046 nan 8.290 nan 0.000 0.529 76 c N -0.373 118.222 118.600 -0.009 0.000 3.183 76 c HA 0.075 4.646 4.570 0.001 0.000 0.285 76 c C 1.638 175.721 174.090 -0.012 0.000 1.313 76 c CA -0.591 55.781 56.329 0.073 0.000 1.711 76 c CB -0.462 42.186 42.510 0.230 0.000 2.135 76 c HN 0.477 nan 8.230 nan 0.000 0.651 77 D N 1.801 122.137 120.400 -0.106 0.000 2.585 77 D HA -0.285 4.356 4.640 0.001 0.000 0.190 77 D C 1.782 177.979 176.300 -0.171 0.000 1.057 77 D CA 1.927 55.844 54.000 -0.139 0.000 0.900 77 D CB -0.378 40.311 40.800 -0.185 0.000 0.900 77 D HN 0.640 nan 8.370 nan 0.000 0.463 78 E N -1.154 118.845 120.200 -0.335 0.000 2.271 78 E HA -0.249 4.101 4.350 0.001 0.000 0.209 78 E C 1.105 177.298 176.600 -0.677 0.000 1.046 78 E CA 1.331 57.354 56.400 -0.628 0.000 0.840 78 E CB -0.134 28.921 29.700 -1.074 0.000 0.738 78 E HN 0.400 nan 8.360 nan 0.000 0.470 79 F N -1.777 118.159 119.950 -0.023 0.000 2.682 79 F HA 0.268 4.795 4.527 0.001 0.000 0.308 79 F C 2.040 177.918 175.800 0.130 0.000 1.093 79 F CA 0.333 58.329 58.000 -0.007 0.000 1.244 79 F CB -0.436 38.477 39.000 -0.146 0.000 1.052 79 F HN 0.005 nan 8.300 nan 0.000 0.573 80 I N 0.320 120.999 120.570 0.181 0.000 2.354 80 I HA -0.296 3.875 4.170 0.001 0.000 0.258 80 I C 0.800 177.001 176.117 0.140 0.000 1.111 80 I CA 2.421 63.792 61.300 0.118 0.000 1.390 80 I CB -1.191 36.802 38.000 -0.012 0.000 1.072 80 I HN 0.529 nan 8.210 nan 0.000 0.441 81 N N -0.708 118.103 118.700 0.185 0.000 2.648 81 N HA 0.483 5.224 4.740 0.001 0.000 0.272 81 N C -1.232 174.425 175.510 0.246 0.000 1.118 81 N CA 0.292 53.472 53.050 0.217 0.000 0.973 81 N CB 1.917 40.477 38.487 0.121 0.000 1.565 81 N HN 0.439 nan 8.380 nan 0.000 0.542 82 V N -0.287 119.836 119.914 0.348 0.000 3.119 82 V HA 0.632 4.753 4.120 0.001 0.000 0.311 82 V C -0.377 175.991 176.094 0.457 0.000 1.259 82 V CA -0.949 61.549 62.300 0.330 0.000 1.067 82 V CB 1.242 33.220 31.823 0.259 0.000 1.123 82 V HN 0.640 nan 8.190 nan 0.000 0.463 83 E N 0.895 120.997 120.200 -0.163 0.000 2.360 83 E HA 0.306 4.657 4.350 0.001 0.000 0.269 83 E C -0.879 175.718 176.600 -0.005 0.000 1.022 83 E CA -0.385 55.867 56.400 -0.245 0.000 0.887 83 E CB 0.271 29.739 29.700 -0.385 0.000 0.990 83 E HN 0.865 nan 8.360 nan 0.000 0.426 84 W N 0.965 122.234 121.300 -0.052 0.000 2.864 84 W HA 0.542 5.203 4.660 0.001 0.000 0.343 84 W C 0.596 177.079 176.519 -0.059 0.000 1.109 84 W CA -0.583 56.703 57.345 -0.099 0.000 1.192 84 W CB 0.462 29.822 29.460 -0.166 0.000 1.426 84 W HN 0.351 nan 8.180 nan 0.000 0.529 85 S N 0.809 116.619 115.700 0.183 0.000 2.362 85 S HA 0.102 4.572 4.470 0.001 0.000 0.221 85 S C -0.023 174.828 174.600 0.419 0.000 1.032 85 S CA 1.169 59.502 58.200 0.222 0.000 0.973 85 S CB -0.795 62.589 63.200 0.307 0.000 0.849 85 S HN 0.806 nan 8.310 nan 0.000 0.465 86 Y N -1.063 119.405 120.300 0.280 0.000 2.581 86 Y HA 0.744 5.295 4.550 0.001 0.000 0.337 86 Y C -1.293 174.635 175.900 0.046 0.000 1.108 86 Y CA -1.771 56.452 58.100 0.206 0.000 1.033 86 Y CB 0.815 39.315 38.460 0.065 0.000 1.318 86 Y HN -0.044 nan 8.280 nan 0.000 0.459 87 I N 3.148 123.667 120.570 -0.086 0.000 2.396 87 I HA 0.460 4.630 4.170 0.001 0.000 0.292 87 I C -0.732 175.252 176.117 -0.223 0.000 0.999 87 I CA -1.236 59.822 61.300 -0.402 0.000 1.310 87 I CB 1.612 39.331 38.000 -0.469 0.000 1.404 87 I HN 0.450 nan 8.210 nan 0.000 0.496 88 V N 5.923 125.651 119.914 -0.311 0.000 2.417 88 V HA 0.357 4.477 4.120 0.001 0.000 0.291 88 V C -0.159 175.822 176.094 -0.188 0.000 1.024 88 V CA -0.516 61.688 62.300 -0.160 0.000 0.861 88 V CB 1.598 33.354 31.823 -0.111 0.000 0.985 88 V HN 0.723 nan 8.190 nan 0.000 0.436 89 E N 3.702 123.830 120.200 -0.121 0.000 2.248 89 E HA 0.471 4.821 4.350 0.001 0.000 0.267 89 E C -0.775 175.790 176.600 -0.059 0.000 0.877 89 E CA -0.821 55.514 56.400 -0.108 0.000 0.759 89 E CB 1.891 31.532 29.700 -0.098 0.000 1.182 89 E HN 0.582 nan 8.360 nan 0.000 0.418 90 K N 1.231 121.605 120.400 -0.043 0.000 2.180 90 K HA 0.229 4.549 4.320 0.001 0.000 0.251 90 K C 0.815 177.409 176.600 -0.010 0.000 1.014 90 K CA 0.310 56.585 56.287 -0.020 0.000 0.913 90 K CB 0.805 33.299 32.500 -0.009 0.000 1.008 90 K HN 0.595 nan 8.250 nan 0.000 0.490 91 A N 2.023 124.842 122.820 -0.002 0.000 1.933 91 A HA -0.106 4.214 4.320 0.001 0.000 0.218 91 A C 0.368 177.960 177.584 0.013 0.000 1.175 91 A CA 1.300 53.340 52.037 0.006 0.000 0.628 91 A CB -0.098 18.907 19.000 0.009 0.000 0.814 91 A HN 0.733 nan 8.150 nan 0.000 0.444 92 N N 0.429 119.137 118.700 0.013 0.000 2.725 92 N HA 0.278 5.018 4.740 0.001 0.000 0.248 92 N C -3.200 172.321 175.510 0.019 0.000 1.402 92 N CA -0.813 52.249 53.050 0.019 0.000 0.766 92 N CB 0.910 39.408 38.487 0.019 0.000 1.223 92 N HN 0.083 nan 8.380 nan 0.000 0.515 93 P HA 0.071 nan 4.420 nan 0.000 0.267 93 P C 1.327 178.644 177.300 0.029 0.000 1.205 93 P CA -0.289 62.824 63.100 0.022 0.000 0.765 93 P CB 1.437 33.150 31.700 0.021 0.000 0.828 94 V N 3.158 123.090 119.914 0.030 0.000 2.307 94 V HA -0.174 3.946 4.120 0.001 0.000 0.245 94 V C 0.740 176.856 176.094 0.037 0.000 1.045 94 V CA 1.546 63.864 62.300 0.030 0.000 1.024 94 V CB -0.869 30.971 31.823 0.028 0.000 0.651 94 V HN 0.614 nan 8.190 nan 0.000 0.449 95 N N 1.127 119.855 118.700 0.046 0.000 2.401 95 N HA 0.261 5.002 4.740 0.001 0.000 0.255 95 N C -0.626 174.926 175.510 0.069 0.000 1.110 95 N CA -0.279 52.804 53.050 0.055 0.000 0.949 95 N CB 0.619 39.145 38.487 0.066 0.000 1.110 95 N HN 0.288 nan 8.380 nan 0.000 0.490 96 L N 3.733 125.046 121.223 0.150 0.000 2.617 96 L HA -0.027 4.313 4.340 0.001 0.000 0.282 96 L C 1.861 178.873 176.870 0.236 0.000 1.174 96 L CA -0.699 54.326 54.840 0.307 0.000 1.016 96 L CB -0.588 41.636 42.059 0.274 0.000 1.337 96 L HN 0.862 nan 8.230 nan 0.000 0.460 97 c N 2.016 120.688 118.600 0.119 0.000 2.388 97 c HA -0.251 4.320 4.570 0.001 0.000 0.277 97 c C 1.418 175.545 174.090 0.062 0.000 1.210 97 c CA 0.064 56.388 56.329 -0.008 0.000 1.743 97 c CB -0.949 41.458 42.510 -0.172 0.000 2.047 97 c HN 0.619 nan 8.230 nan 0.000 0.458 98 Y N 5.525 125.826 120.300 0.001 0.000 2.531 98 Y HA 0.375 4.926 4.550 0.001 0.000 0.347 98 Y C -1.748 174.265 175.900 0.189 0.000 1.024 98 Y CA -2.493 55.685 58.100 0.129 0.000 1.306 98 Y CB 0.347 38.929 38.460 0.203 0.000 1.149 98 Y HN 0.347 nan 8.280 nan 0.000 0.527 99 P HA 0.307 nan 4.420 nan 0.000 0.270 99 P C -0.016 177.403 177.300 0.198 0.000 1.223 99 P CA 0.478 63.639 63.100 0.102 0.000 0.785 99 P CB 1.764 33.455 31.700 -0.016 0.000 0.923 100 G N 0.847 109.736 108.800 0.149 0.000 2.600 100 G HA2 0.211 4.171 3.960 0.001 0.000 0.103 100 G HA3 0.211 4.171 3.960 0.001 0.000 0.103 100 G C -1.800 173.143 174.900 0.072 0.000 1.090 100 G CA -0.283 44.883 45.100 0.110 0.000 1.090 100 G HN 0.501 nan 8.290 nan 0.000 0.500 101 D N -0.844 119.579 120.400 0.038 0.000 2.583 101 D HA 0.554 5.195 4.640 0.001 0.000 0.248 101 D C -1.823 174.502 176.300 0.041 0.000 1.209 101 D CA -0.237 53.782 54.000 0.032 0.000 0.848 101 D CB 2.824 43.629 40.800 0.008 0.000 1.431 101 D HN 0.277 nan 8.370 nan 0.000 0.436 102 F N 1.542 121.418 119.950 -0.122 0.000 2.496 102 F HA 0.285 4.812 4.527 0.001 0.000 0.341 102 F C 0.040 175.788 175.800 -0.086 0.000 1.134 102 F CA -0.857 57.071 58.000 -0.119 0.000 0.968 102 F CB 1.102 39.934 39.000 -0.280 0.000 1.205 102 F HN 0.092 nan 8.300 nan 0.000 0.436 103 N N 4.063 122.792 118.700 0.049 0.000 2.492 103 N HA 0.042 4.782 4.740 0.001 0.000 0.262 103 N C -0.292 175.457 175.510 0.398 0.000 1.202 103 N CA 0.842 53.865 53.050 -0.045 0.000 0.926 103 N CB 0.337 38.425 38.487 -0.666 0.000 1.078 103 N HN 0.611 nan 8.380 nan 0.000 0.454 104 D N 1.373 121.940 120.400 0.278 0.000 2.737 104 D HA -0.280 4.360 4.640 0.001 0.000 0.233 104 D C 0.400 176.995 176.300 0.491 0.000 1.155 104 D CA 0.445 54.667 54.000 0.370 0.000 0.667 104 D CB -1.134 39.867 40.800 0.336 0.000 1.060 104 D HN 0.576 nan 8.370 nan 0.000 0.427 105 Y N 0.822 121.222 120.300 0.167 0.000 2.128 105 Y HA -0.228 4.322 4.550 0.001 0.000 0.284 105 Y C 2.010 177.811 175.900 -0.166 0.000 1.154 105 Y CA 2.371 60.357 58.100 -0.190 0.000 1.149 105 Y CB 0.004 38.288 38.460 -0.294 0.000 0.976 105 Y HN 0.011 nan 8.280 nan 0.000 0.505 106 E N 0.083 120.222 120.200 -0.102 0.000 2.106 106 E HA -0.157 4.194 4.350 0.001 0.000 0.192 106 E C 2.118 178.668 176.600 -0.083 0.000 0.984 106 E CA 1.384 57.681 56.400 -0.171 0.000 0.806 106 E CB -0.239 29.429 29.700 -0.053 0.000 0.750 106 E HN 0.425 nan 8.360 nan 0.000 0.458 107 E N 0.120 120.352 120.200 0.053 0.000 2.110 107 E HA -0.162 4.188 4.350 0.001 0.000 0.193 107 E C 2.023 178.701 176.600 0.131 0.000 0.988 107 E CA 0.565 57.052 56.400 0.145 0.000 0.804 107 E CB -0.195 29.666 29.700 0.269 0.000 0.745 107 E HN 0.178 nan 8.360 nan 0.000 0.458 108 L N 1.601 122.796 121.223 -0.046 0.000 2.056 108 L HA -0.117 4.224 4.340 0.001 0.000 0.207 108 L C 1.855 178.497 176.870 -0.381 0.000 1.078 108 L CA 1.776 56.302 54.840 -0.523 0.000 0.749 108 L CB -0.281 41.137 42.059 -1.069 0.000 0.901 108 L HN -0.089 nan 8.230 nan 0.000 0.433 109 K N -1.590 118.567 120.400 -0.406 0.000 2.280 109 K HA -0.220 4.101 4.320 0.001 0.000 0.202 109 K C 1.954 178.468 176.600 -0.143 0.000 1.047 109 K CA 1.339 57.419 56.287 -0.345 0.000 0.942 109 K CB -0.261 31.950 32.500 -0.481 0.000 0.739 109 K HN 0.511 nan 8.250 nan 0.000 0.457 110 H N 0.233 119.212 119.070 -0.152 0.000 2.415 110 H HA 0.045 4.602 4.556 0.001 0.000 0.297 110 H C 1.720 177.028 175.328 -0.034 0.000 1.048 110 H CA 0.846 56.852 56.048 -0.070 0.000 1.365 110 H CB 0.199 29.940 29.762 -0.035 0.000 1.421 110 H HN -0.052 nan 8.280 nan 0.000 0.533 111 L N 0.185 121.425 121.223 0.028 0.000 2.083 111 L HA -0.136 4.205 4.340 0.001 0.000 0.209 111 L C 2.334 179.178 176.870 -0.045 0.000 1.083 111 L CA 1.028 55.873 54.840 0.008 0.000 0.752 111 L CB -0.549 41.547 42.059 0.062 0.000 0.899 111 L HN 0.349 nan 8.230 nan 0.000 0.433 112 L N -0.621 120.573 121.223 -0.048 0.000 2.129 112 L HA -0.272 4.068 4.340 0.001 0.000 0.212 112 L C 2.515 179.396 176.870 0.018 0.000 1.087 112 L CA 1.538 56.383 54.840 0.010 0.000 0.757 112 L CB -0.562 41.511 42.059 0.023 0.000 0.896 112 L HN 0.474 nan 8.230 nan 0.000 0.434 113 S N -0.567 115.091 115.700 -0.070 0.000 2.555 113 S HA -0.099 4.372 4.470 0.001 0.000 0.230 113 S C 1.828 176.383 174.600 -0.074 0.000 0.978 113 S CA 0.836 58.994 58.200 -0.070 0.000 0.934 113 S CB -0.483 62.623 63.200 -0.158 0.000 0.766 113 S HN 0.502 nan 8.310 nan 0.000 0.533 114 R N 0.590 121.039 120.500 -0.084 0.000 2.552 114 R HA 0.704 5.045 4.340 0.001 0.000 0.314 114 R C 0.097 176.348 176.300 -0.080 0.000 1.041 114 R CA -0.088 55.970 56.100 -0.069 0.000 1.076 114 R CB -0.675 29.592 30.300 -0.055 0.000 1.290 114 R HN 0.624 nan 8.270 nan 0.000 0.563 115 I N 0.383 120.900 120.570 -0.087 0.000 2.534 115 I HA 0.296 4.467 4.170 0.001 0.000 0.288 115 I C -0.469 175.473 176.117 -0.293 0.000 1.077 115 I CA -0.878 60.305 61.300 -0.195 0.000 1.051 115 I CB 2.557 40.407 38.000 -0.250 0.000 1.234 115 I HN 0.132 nan 8.210 nan 0.000 0.425 116 N N 2.674 121.037 118.700 -0.562 0.000 2.294 116 N HA 0.063 4.803 4.740 0.001 0.000 0.186 116 N C -0.387 174.175 175.510 -1.581 0.000 1.107 116 N CA 0.300 52.716 53.050 -1.057 0.000 0.884 116 N CB 0.627 38.760 38.487 -0.591 0.000 1.030 116 N HN 0.556 nan 8.380 nan 0.000 0.482 117 H N -0.600 117.800 119.070 -1.115 0.000 3.154 117 H HA 0.300 4.856 4.556 0.001 0.000 0.330 117 H C -1.515 173.643 175.328 -0.284 0.000 1.033 117 H CA -0.605 55.017 56.048 -0.709 0.000 1.393 117 H CB 0.057 29.590 29.762 -0.381 0.000 1.951 117 H HN -0.274 nan 8.280 nan 0.000 0.466 118 F N 2.045 121.894 119.950 -0.167 0.000 2.403 118 F HA 0.432 4.960 4.527 0.001 0.000 0.326 118 F C 0.449 176.039 175.800 -0.348 0.000 1.081 118 F CA -0.439 57.513 58.000 -0.079 0.000 1.041 118 F CB 1.307 40.455 39.000 0.246 0.000 1.234 118 F HN 0.427 nan 8.300 nan 0.000 0.503 119 E N 1.665 121.958 120.200 0.155 0.000 2.267 119 E HA 0.113 4.464 4.350 0.001 0.000 0.248 119 E C -0.764 175.926 176.600 0.149 0.000 0.899 119 E CA -0.683 55.782 56.400 0.109 0.000 0.764 119 E CB 1.812 31.566 29.700 0.089 0.000 1.227 119 E HN 0.466 nan 8.360 nan 0.000 0.421 120 K N 3.543 124.017 120.400 0.123 0.000 2.484 120 K HA 0.157 4.477 4.320 0.001 0.000 0.280 120 K C -0.380 176.229 176.600 0.014 0.000 1.013 120 K CA 0.452 56.689 56.287 -0.083 0.000 1.029 120 K CB 0.485 32.901 32.500 -0.139 0.000 0.902 120 K HN 0.488 nan 8.250 nan 0.000 0.481 121 I N 3.732 124.311 120.570 0.015 0.000 2.619 121 I HA 0.065 4.236 4.170 0.001 0.000 0.292 121 I C -0.521 175.602 176.117 0.011 0.000 1.100 121 I CA -0.841 60.505 61.300 0.077 0.000 1.043 121 I CB 2.233 40.259 38.000 0.044 0.000 1.239 121 I HN 0.681 nan 8.210 nan 0.000 0.420 122 Q N 5.404 125.151 119.800 -0.088 0.000 2.297 122 Q HA 0.219 4.559 4.340 0.001 0.000 0.267 122 Q C 0.478 176.252 176.000 -0.377 0.000 1.006 122 Q CA 0.235 55.717 55.803 -0.536 0.000 0.896 122 Q CB 0.867 29.318 28.738 -0.479 0.000 1.186 122 Q HN 0.720 nan 8.270 nan 0.000 0.392 123 I N 0.438 120.719 120.570 -0.482 0.000 4.433 123 I HA 0.441 4.611 4.170 0.001 0.000 0.322 123 I C 0.227 176.087 176.117 -0.428 0.000 1.284 123 I CA -0.180 60.777 61.300 -0.571 0.000 1.269 123 I CB 0.755 38.154 38.000 -1.002 0.000 1.219 123 I HN 0.372 nan 8.210 nan 0.000 0.436 124 I N 0.716 121.079 120.570 -0.344 0.000 2.769 124 I HA 0.600 4.771 4.170 0.001 0.000 0.298 124 I C 1.521 177.501 176.117 -0.229 0.000 1.128 124 I CA -0.382 60.770 61.300 -0.246 0.000 1.031 124 I CB 1.534 39.451 38.000 -0.138 0.000 1.235 124 I HN 0.323 nan 8.210 nan 0.000 0.423 125 S N 1.274 116.998 115.700 0.041 0.000 2.505 125 S HA -0.327 4.144 4.470 0.001 0.000 0.314 125 S C 1.532 176.106 174.600 -0.043 0.000 1.350 125 S CA 2.404 60.615 58.200 0.018 0.000 1.202 125 S CB -2.337 60.864 63.200 0.002 0.000 1.415 125 S HN 2.729 nan 8.310 nan 0.000 0.794 126 S N -1.094 114.504 115.700 -0.171 0.000 2.631 126 S HA 0.216 4.687 4.470 0.001 0.000 0.217 126 S C 0.010 174.388 174.600 -0.371 0.000 0.958 126 S CA -0.484 57.539 58.200 -0.295 0.000 0.920 126 S CB -0.753 62.200 63.200 -0.412 0.000 0.776 126 S HN 0.710 nan 8.310 nan 0.000 0.517 127 W N 2.989 124.287 121.300 -0.004 0.000 1.828 127 W HA 0.401 5.061 4.660 0.001 0.000 0.369 127 W C 1.129 177.653 176.519 0.009 0.000 0.764 127 W CA -0.741 56.614 57.345 0.018 0.000 1.660 127 W CB 0.147 29.616 29.460 0.015 0.000 1.843 127 W HN 0.359 nan 8.180 nan 0.000 0.286 128 S N -1.520 114.267 115.700 0.143 0.000 2.501 128 S HA -0.149 4.322 4.470 0.001 0.000 0.220 128 S C 1.912 176.532 174.600 0.033 0.000 0.997 128 S CA 0.706 58.947 58.200 0.068 0.000 0.919 128 S CB -0.268 62.940 63.200 0.013 0.000 0.778 128 S HN 0.367 nan 8.310 nan 0.000 0.523 129 S N 1.007 116.746 115.700 0.064 0.000 2.406 129 S HA 0.045 4.515 4.470 0.001 0.000 0.228 129 S C 0.327 174.638 174.600 -0.481 0.000 1.020 129 S CA 0.286 58.394 58.200 -0.155 0.000 0.965 129 S CB -0.382 62.786 63.200 -0.055 0.000 0.798 129 S HN 0.699 nan 8.310 nan 0.000 0.488 130 H N -0.130 118.955 119.070 0.025 0.000 2.960 130 H HA 0.562 5.118 4.556 0.001 0.000 0.338 130 H C -1.061 174.250 175.328 -0.028 0.000 1.261 130 H CA -1.011 54.990 56.048 -0.077 0.000 1.136 130 H CB 0.691 30.291 29.762 -0.271 0.000 1.875 130 H HN -0.005 nan 8.280 nan 0.000 0.550 131 E N 0.698 120.940 120.200 0.070 0.000 2.152 131 E HA 0.309 4.660 4.350 0.001 0.000 0.285 131 E C -0.133 176.440 176.600 -0.045 0.000 1.043 131 E CA -0.335 56.068 56.400 0.005 0.000 0.839 131 E CB 1.413 31.091 29.700 -0.037 0.000 1.069 131 E HN 0.697 nan 8.360 nan 0.000 0.399 132 A N 3.221 126.039 122.820 -0.004 0.000 2.359 132 A HA 0.266 4.586 4.320 0.001 0.000 0.240 132 A C 1.837 179.395 177.584 -0.044 0.000 1.306 132 A CA 0.619 52.644 52.037 -0.021 0.000 0.898 132 A CB -1.102 17.968 19.000 0.117 0.000 0.956 132 A HN 0.869 nan 8.150 nan 0.000 0.497 133 L N -2.105 119.022 121.223 -0.160 0.000 4.769 133 L HA -0.256 4.085 4.340 0.001 0.000 0.446 133 L C 1.482 178.101 176.870 -0.418 0.000 1.100 133 L CA 1.927 56.622 54.840 -0.242 0.000 0.941 133 L CB -2.314 39.599 42.059 -0.242 0.000 1.821 133 L HN 1.233 nan 8.230 nan 0.000 0.948 134 G N -0.466 108.078 108.800 -0.427 0.000 3.209 134 G HA2 0.592 4.552 3.960 0.001 0.000 0.274 134 G HA3 0.592 4.552 3.960 0.001 0.000 0.274 134 G C -0.063 174.559 174.900 -0.464 0.000 0.850 134 G CA 0.466 45.158 45.100 -0.679 0.000 1.907 134 G HN 1.246 nan 8.290 nan 0.000 0.591 135 V N 0.004 119.694 119.914 -0.374 0.000 3.074 135 V HA 0.869 4.989 4.120 0.001 0.000 0.314 135 V C -0.168 175.988 176.094 0.103 0.000 1.117 135 V CA -0.775 61.502 62.300 -0.037 0.000 1.014 135 V CB 2.348 34.159 31.823 -0.019 0.000 1.057 135 V HN 0.476 nan 8.190 nan 0.000 0.438 136 S N -0.452 115.414 115.700 0.277 0.000 2.535 136 S HA 0.320 4.791 4.470 0.001 0.000 0.272 136 S C 0.838 175.577 174.600 0.232 0.000 1.149 136 S CA 0.142 58.536 58.200 0.323 0.000 0.888 136 S CB 1.879 65.457 63.200 0.630 0.000 1.110 136 S HN 1.152 nan 8.310 nan 0.000 0.463 137 S N 3.049 118.847 115.700 0.162 0.000 2.419 137 S HA -0.087 4.383 4.470 0.001 0.000 0.235 137 S C 1.975 176.633 174.600 0.097 0.000 1.019 137 S CA 1.196 59.460 58.200 0.106 0.000 0.982 137 S CB -0.784 62.458 63.200 0.071 0.000 0.789 137 S HN 1.163 nan 8.310 nan 0.000 0.490 138 A N 0.007 122.897 122.820 0.117 0.000 2.125 138 A HA 0.055 4.375 4.320 0.001 0.000 0.219 138 A C 1.382 179.002 177.584 0.061 0.000 1.156 138 A CA 0.994 53.070 52.037 0.065 0.000 0.671 138 A CB -0.904 18.099 19.000 0.006 0.000 0.794 138 A HN 0.675 nan 8.150 nan 0.000 0.459 139 c N 1.157 119.817 118.600 0.099 0.000 3.075 139 c HA 0.364 4.934 4.570 0.001 0.000 0.262 139 c C -2.609 171.520 174.090 0.065 0.000 1.371 139 c CA -1.667 54.673 56.329 0.018 0.000 1.594 139 c CB -0.070 42.409 42.510 -0.052 0.000 1.849 139 c HN 0.387 nan 8.230 nan 0.000 0.475 140 P HA 0.089 nan 4.420 nan 0.000 0.281 140 P C -0.484 176.908 177.300 0.154 0.000 1.252 140 P CA 0.408 63.566 63.100 0.097 0.000 0.778 140 P CB 1.473 33.212 31.700 0.065 0.000 0.895 141 Y N 3.908 124.213 120.300 0.009 0.000 2.737 141 Y HA 0.227 4.777 4.550 0.001 0.000 0.190 141 Y C 1.084 176.985 175.900 0.002 0.000 0.946 141 Y CA 0.650 58.751 58.100 0.002 0.000 1.347 141 Y CB -0.507 37.958 38.460 0.008 0.000 1.071 141 Y HN 0.277 nan 8.280 nan 0.000 0.460 142 Q N 1.117 120.671 119.800 -0.410 0.000 2.823 142 Q HA 0.339 4.679 4.340 0.001 0.000 0.370 142 Q C 0.468 176.358 176.000 -0.183 0.000 1.110 142 Q CA 0.321 55.867 55.803 -0.429 0.000 0.990 142 Q CB 0.053 28.376 28.738 -0.691 0.000 1.383 142 Q HN 0.947 nan 8.270 nan 0.000 0.430 143 G N -0.012 108.739 108.800 -0.082 0.000 4.365 143 G HA2 -0.410 3.551 3.960 0.001 0.000 0.214 143 G HA3 -0.410 3.551 3.960 0.001 0.000 0.214 143 G C 0.510 175.404 174.900 -0.010 0.000 1.450 143 G CA -0.212 44.865 45.100 -0.039 0.000 0.937 143 G HN 0.531 nan 8.290 nan 0.000 0.625 144 K N 1.732 122.120 120.400 -0.019 0.000 2.405 144 K HA 0.553 4.874 4.320 0.001 0.000 0.276 144 K C 1.028 177.663 176.600 0.059 0.000 1.099 144 K CA 1.189 57.484 56.287 0.014 0.000 1.120 144 K CB -0.855 31.651 32.500 0.009 0.000 0.877 144 K HN 2.191 nan 8.250 nan 0.000 0.472 145 S N 1.383 117.120 115.700 0.061 0.000 2.558 145 S HA 0.242 4.713 4.470 0.001 0.000 0.293 145 S C 0.582 175.255 174.600 0.122 0.000 1.292 145 S CA 0.185 58.439 58.200 0.091 0.000 1.063 145 S CB 0.904 64.152 63.200 0.080 0.000 0.831 145 S HN 0.998 nan 8.310 nan 0.000 0.499 146 S N 1.833 117.629 115.700 0.161 0.000 3.516 146 S HA 0.913 5.384 4.470 0.001 0.000 0.288 146 S C -1.415 173.361 174.600 0.293 0.000 1.051 146 S CA -0.660 57.658 58.200 0.197 0.000 1.109 146 S CB 0.663 63.980 63.200 0.194 0.000 1.338 146 S HN 0.929 nan 8.310 nan 0.000 0.743 147 F N -0.475 119.471 119.950 -0.006 0.000 2.978 147 F HA 0.454 4.982 4.527 0.001 0.000 0.324 147 F C -1.946 173.776 175.800 -0.129 0.000 1.157 147 F CA -1.379 56.584 58.000 -0.062 0.000 0.879 147 F CB 0.365 39.433 39.000 0.114 0.000 1.364 147 F HN 0.561 nan 8.300 nan 0.000 0.465 148 F N 2.300 121.812 119.950 -0.731 0.000 2.578 148 F HA 0.363 4.891 4.527 0.001 0.000 0.381 148 F C 1.710 177.454 175.800 -0.093 0.000 1.069 148 F CA 0.841 58.574 58.000 -0.444 0.000 1.231 148 F CB 0.262 38.872 39.000 -0.650 0.000 1.086 148 F HN 0.658 nan 8.300 nan 0.000 0.564 149 R N 2.314 122.868 120.500 0.091 0.000 2.189 149 R HA -0.088 4.252 4.340 0.001 0.000 0.218 149 R C 1.178 177.547 176.300 0.115 0.000 1.074 149 R CA 1.506 57.656 56.100 0.084 0.000 0.991 149 R CB -0.989 29.301 30.300 -0.017 0.000 0.883 149 R HN 0.636 nan 8.270 nan 0.000 0.457 150 N N -0.509 118.242 118.700 0.085 0.000 2.336 150 N HA 0.103 4.844 4.740 0.001 0.000 0.189 150 N C -0.543 175.034 175.510 0.112 0.000 1.113 150 N CA 0.608 53.715 53.050 0.095 0.000 0.858 150 N CB 1.118 39.597 38.487 -0.013 0.000 0.970 150 N HN 0.305 nan 8.380 nan 0.000 0.471 151 V N 0.314 120.303 119.914 0.126 0.000 3.012 151 V HA 0.413 4.534 4.120 0.001 0.000 0.307 151 V C -1.464 174.770 176.094 0.233 0.000 1.166 151 V CA -0.682 61.685 62.300 0.112 0.000 0.974 151 V CB 2.672 34.515 31.823 0.033 0.000 1.040 151 V HN -0.298 nan 8.190 nan 0.000 0.428 152 V N 4.970 124.947 119.914 0.105 0.000 2.378 152 V HA 0.378 4.498 4.120 0.001 0.000 0.288 152 V C -0.896 175.187 176.094 -0.017 0.000 1.016 152 V CA -0.573 61.767 62.300 0.066 0.000 0.840 152 V CB 1.686 33.486 31.823 -0.038 0.000 0.994 152 V HN 0.887 nan 8.190 nan 0.000 0.431 153 W N 7.439 128.593 121.300 -0.243 0.000 2.433 153 W HA 0.525 5.185 4.660 0.001 0.000 0.331 153 W C -0.578 175.750 176.519 -0.319 0.000 1.110 153 W CA -1.348 55.765 57.345 -0.387 0.000 1.450 153 W CB 0.234 29.204 29.460 -0.816 0.000 1.348 153 W HN 0.425 nan 8.180 nan 0.000 0.415 154 L N 7.531 128.750 121.223 -0.006 0.000 2.395 154 L HA 0.470 4.810 4.340 0.001 0.000 0.269 154 L C 0.395 177.314 176.870 0.082 0.000 1.133 154 L CA -0.586 54.170 54.840 -0.140 0.000 0.812 154 L CB 0.735 42.570 42.059 -0.373 0.000 1.125 154 L HN 0.164 nan 8.230 nan 0.000 0.452 155 I N 1.365 121.960 120.570 0.041 0.000 2.865 155 I HA 0.266 4.436 4.170 0.001 0.000 0.302 155 I C -0.303 175.955 176.117 0.234 0.000 1.140 155 I CA -1.068 60.307 61.300 0.125 0.000 1.021 155 I CB 2.473 40.364 38.000 -0.183 0.000 1.233 155 I HN 0.639 nan 8.210 nan 0.000 0.427 156 K N 3.747 124.353 120.400 0.343 0.000 2.494 156 K HA 0.113 4.434 4.320 0.001 0.000 0.273 156 K C -0.704 175.954 176.600 0.097 0.000 0.970 156 K CA -0.004 56.465 56.287 0.304 0.000 0.963 156 K CB 1.057 33.709 32.500 0.253 0.000 0.913 156 K HN 0.508 nan 8.250 nan 0.000 0.502 157 K N 1.616 122.037 120.400 0.036 0.000 2.259 157 K HA 0.042 4.363 4.320 0.001 0.000 0.252 157 K C -0.128 176.463 176.600 -0.016 0.000 0.936 157 K CA -0.526 55.751 56.287 -0.016 0.000 0.810 157 K CB 1.036 33.501 32.500 -0.059 0.000 1.143 157 K HN 0.911 nan 8.250 nan 0.000 0.427 158 N N 0.786 119.477 118.700 -0.016 0.000 3.268 158 N HA -0.272 4.469 4.740 0.001 0.000 0.220 158 N C -0.260 175.248 175.510 -0.004 0.000 0.158 158 N CA 2.523 55.565 53.050 -0.013 0.000 3.693 158 N CB -1.097 37.380 38.487 -0.017 0.000 1.061 158 N HN 0.504 nan 8.380 nan 0.000 0.266 159 S N -1.583 114.121 115.700 0.008 0.000 2.814 159 S HA 0.320 4.790 4.470 0.001 0.000 0.193 159 S C -1.367 173.262 174.600 0.049 0.000 0.786 159 S CA 0.519 58.733 58.200 0.023 0.000 0.913 159 S CB -0.537 62.671 63.200 0.014 0.000 1.543 159 S HN 0.566 nan 8.310 nan 0.000 0.552 160 T N 0.946 115.536 114.554 0.061 0.000 2.883 160 T HA 0.497 4.847 4.350 0.001 0.000 0.301 160 T C -1.723 173.073 174.700 0.160 0.000 1.158 160 T CA -0.470 61.685 62.100 0.092 0.000 1.007 160 T CB 1.689 70.579 68.868 0.037 0.000 1.186 160 T HN 0.210 nan 8.240 nan 0.000 0.499 161 Y N 2.210 122.560 120.300 0.084 0.000 2.662 161 Y HA 0.369 4.920 4.550 0.001 0.000 0.358 161 Y C -2.705 173.322 175.900 0.212 0.000 1.041 161 Y CA -2.196 56.030 58.100 0.211 0.000 1.184 161 Y CB 0.821 39.412 38.460 0.219 0.000 1.114 161 Y HN 0.390 nan 8.280 nan 0.000 0.650 162 P HA 0.014 nan 4.420 nan 0.000 0.267 162 P C -0.091 177.342 177.300 0.223 0.000 1.200 162 P CA 0.367 63.536 63.100 0.115 0.000 0.772 162 P CB 0.690 32.375 31.700 -0.025 0.000 0.855 163 T N 3.531 118.188 114.554 0.171 0.000 2.871 163 T HA 0.097 4.447 4.350 0.001 0.000 0.296 163 T C 0.748 175.530 174.700 0.137 0.000 0.998 163 T CA 0.355 62.542 62.100 0.145 0.000 1.162 163 T CB -0.468 68.475 68.868 0.125 0.000 0.947 163 T HN 0.164 nan 8.240 nan 0.000 0.536 164 I N 3.824 124.453 120.570 0.099 0.000 2.474 164 I HA 0.271 4.442 4.170 0.001 0.000 0.287 164 I C 0.869 177.044 176.117 0.098 0.000 1.048 164 I CA 0.073 61.452 61.300 0.131 0.000 1.383 164 I CB 0.796 38.853 38.000 0.095 0.000 1.412 164 I HN 0.468 nan 8.210 nan 0.000 0.531 165 K N 5.707 126.179 120.400 0.120 0.000 3.207 165 K HA 0.387 4.707 4.320 0.001 0.000 0.166 165 K C -0.072 176.584 176.600 0.094 0.000 1.079 165 K CA -0.284 56.055 56.287 0.088 0.000 0.818 165 K CB 0.976 33.514 32.500 0.064 0.000 0.967 165 K HN 0.691 nan 8.250 nan 0.000 0.594 166 R N 0.515 121.102 120.500 0.145 0.000 2.574 166 R HA 0.705 5.046 4.340 0.001 0.000 0.266 166 R C -0.015 176.386 176.300 0.168 0.000 1.157 166 R CA -0.175 56.005 56.100 0.133 0.000 1.187 166 R CB 1.044 31.442 30.300 0.162 0.000 1.179 166 R HN 0.317 nan 8.270 nan 0.000 0.600 167 S N -1.328 114.479 115.700 0.179 0.000 2.602 167 S HA 0.388 4.859 4.470 0.001 0.000 0.301 167 S C -2.183 172.541 174.600 0.207 0.000 1.091 167 S CA -0.605 57.693 58.200 0.164 0.000 0.895 167 S CB 0.659 63.896 63.200 0.061 0.000 1.090 167 S HN 1.158 nan 8.310 nan 0.000 0.449 168 Y N 5.296 125.648 120.300 0.087 0.000 2.326 168 Y HA 0.579 5.130 4.550 0.001 0.000 0.329 168 Y C -0.450 175.475 175.900 0.041 0.000 0.973 168 Y CA -0.746 57.395 58.100 0.069 0.000 1.162 168 Y CB 1.181 39.713 38.460 0.121 0.000 1.147 168 Y HN 0.777 nan 8.280 nan 0.000 0.456 169 N N 4.403 122.756 118.700 -0.579 0.000 2.518 169 N HA 0.084 4.825 4.740 0.001 0.000 0.283 169 N C -1.193 173.791 175.510 -0.877 0.000 1.119 169 N CA -0.045 52.695 53.050 -0.517 0.000 0.983 169 N CB 0.918 39.235 38.487 -0.283 0.000 1.139 169 N HN 0.763 nan 8.380 nan 0.000 0.465 170 N N 1.560 119.992 118.700 -0.446 0.000 2.558 170 N HA 0.091 4.831 4.740 0.001 0.000 0.233 170 N C 0.288 175.724 175.510 -0.124 0.000 1.038 170 N CA -0.258 52.636 53.050 -0.260 0.000 0.934 170 N CB 0.237 38.711 38.487 -0.022 0.000 1.175 170 N HN 0.565 nan 8.380 nan 0.000 0.512 171 T N -1.140 113.349 114.554 -0.109 0.000 3.122 171 T HA 0.203 4.554 4.350 0.001 0.000 0.250 171 T C 0.510 175.218 174.700 0.013 0.000 1.067 171 T CA -0.338 61.736 62.100 -0.043 0.000 0.966 171 T CB -0.145 68.696 68.868 -0.045 0.000 1.002 171 T HN 0.231 nan 8.240 nan 0.000 0.542 172 N N 1.825 120.553 118.700 0.047 0.000 2.424 172 N HA 0.140 4.880 4.740 0.001 0.000 0.257 172 N C 0.585 176.130 175.510 0.058 0.000 1.250 172 N CA -0.444 52.647 53.050 0.068 0.000 0.946 172 N CB 0.849 39.399 38.487 0.105 0.000 1.175 172 N HN 0.267 nan 8.380 nan 0.000 0.477 173 Q N 0.058 119.893 119.800 0.059 0.000 2.320 173 Q HA 0.044 4.384 4.340 0.001 0.000 0.201 173 Q C -0.604 175.435 176.000 0.064 0.000 0.910 173 Q CA 0.461 56.295 55.803 0.052 0.000 0.946 173 Q CB 0.324 29.088 28.738 0.043 0.000 1.062 173 Q HN 0.530 nan 8.270 nan 0.000 0.503 174 E N 0.276 120.526 120.200 0.083 0.000 2.221 174 E HA 0.197 4.548 4.350 0.001 0.000 0.268 174 E C -1.064 175.608 176.600 0.121 0.000 0.933 174 E CA -0.717 55.742 56.400 0.098 0.000 0.809 174 E CB 0.990 30.756 29.700 0.110 0.000 1.190 174 E HN -0.110 nan 8.360 nan 0.000 0.406 175 D N 1.101 121.578 120.400 0.129 0.000 2.488 175 D HA 0.195 4.836 4.640 0.001 0.000 0.238 175 D C -0.621 175.801 176.300 0.204 0.000 1.138 175 D CA 0.142 54.238 54.000 0.160 0.000 0.873 175 D CB 0.357 41.253 40.800 0.160 0.000 1.183 175 D HN 0.270 nan 8.370 nan 0.000 0.458 176 L N 0.413 121.773 121.223 0.227 0.000 2.386 176 L HA 0.523 4.864 4.340 0.001 0.000 0.271 176 L C -1.073 175.967 176.870 0.284 0.000 0.993 176 L CA -1.243 53.752 54.840 0.258 0.000 0.819 176 L CB 1.370 43.575 42.059 0.245 0.000 1.294 176 L HN 0.101 nan 8.230 nan 0.000 0.414 177 L N 4.452 125.847 121.223 0.285 0.000 2.315 177 L HA 0.626 4.967 4.340 0.001 0.000 0.283 177 L C -0.720 176.328 176.870 0.296 0.000 1.089 177 L CA 0.185 55.197 54.840 0.286 0.000 0.833 177 L CB 0.971 43.123 42.059 0.156 0.000 1.170 177 L HN 0.554 nan 8.230 nan 0.000 0.442 178 V N 6.747 126.903 119.914 0.402 0.000 2.398 178 V HA 0.451 4.572 4.120 0.001 0.000 0.286 178 V C 0.068 176.483 176.094 0.535 0.000 1.026 178 V CA -0.625 61.957 62.300 0.470 0.000 0.868 178 V CB 1.393 33.576 31.823 0.600 0.000 0.982 178 V HN 0.604 nan 8.190 nan 0.000 0.443 179 L N 5.172 126.631 121.223 0.394 0.000 2.333 179 L HA 0.723 5.064 4.340 0.001 0.000 0.280 179 L C -0.484 176.607 176.870 0.368 0.000 1.004 179 L CA -0.249 54.721 54.840 0.217 0.000 0.820 179 L CB 1.499 43.563 42.059 0.009 0.000 1.247 179 L HN 0.917 nan 8.230 nan 0.000 0.416 180 W N 2.343 123.773 121.300 0.216 0.000 3.179 180 W HA 0.945 5.605 4.660 0.001 0.000 0.372 180 W C -0.443 176.253 176.519 0.295 0.000 1.137 180 W CA -0.764 56.702 57.345 0.201 0.000 1.100 180 W CB 1.070 30.728 29.460 0.331 0.000 1.503 180 W HN 0.585 nan 8.180 nan 0.000 0.601 181 G N -0.032 109.032 108.800 0.439 0.000 2.619 181 G HA2 0.633 4.593 3.960 0.001 0.000 0.305 181 G HA3 0.633 4.593 3.960 0.001 0.000 0.305 181 G C -2.414 172.564 174.900 0.131 0.000 1.330 181 G CA -0.876 44.321 45.100 0.161 0.000 0.789 181 G HN 1.051 nan 8.290 nan 0.000 0.487 182 I N -0.569 119.923 120.570 -0.129 0.000 2.827 182 I HA 0.483 4.654 4.170 0.001 0.000 0.298 182 I C -1.267 174.610 176.117 -0.399 0.000 1.235 182 I CA -0.965 60.221 61.300 -0.190 0.000 1.021 182 I CB 2.498 40.400 38.000 -0.163 0.000 1.259 182 I HN 0.706 nan 8.210 nan 0.000 0.427 183 H N 6.147 124.940 119.070 -0.461 0.000 2.476 183 H HA 0.399 4.955 4.556 0.001 0.000 0.328 183 H C -1.281 173.868 175.328 -0.299 0.000 1.073 183 H CA -0.695 55.110 56.048 -0.405 0.000 1.229 183 H CB 0.940 30.541 29.762 -0.268 0.000 1.432 183 H HN 0.549 nan 8.280 nan 0.000 0.477 184 H N 6.404 125.233 119.070 -0.402 0.000 2.641 184 H HA 0.219 4.776 4.556 0.001 0.000 0.295 184 H C -2.329 172.706 175.328 -0.489 0.000 1.070 184 H CA -2.162 53.693 56.048 -0.321 0.000 1.257 184 H CB 1.238 30.926 29.762 -0.124 0.000 1.393 184 H HN 0.539 nan 8.280 nan 0.000 0.464 185 P HA 0.074 nan 4.420 nan 0.000 0.276 185 P C 1.039 178.355 177.300 0.027 0.000 1.252 185 P CA -0.529 62.498 63.100 -0.122 0.000 0.802 185 P CB 1.289 33.023 31.700 0.057 0.000 1.035 186 N N 0.371 119.128 118.700 0.096 0.000 2.166 186 N HA -0.101 4.639 4.740 0.001 0.000 0.186 186 N C 0.068 175.612 175.510 0.056 0.000 1.019 186 N CA 1.421 54.520 53.050 0.081 0.000 0.856 186 N CB -0.303 38.243 38.487 0.099 0.000 0.993 186 N HN 0.660 nan 8.380 nan 0.000 0.426 187 D N -3.784 116.651 120.400 0.059 0.000 2.639 187 D HA 0.486 5.127 4.640 0.001 0.000 0.271 187 D C 0.158 176.486 176.300 0.045 0.000 1.254 187 D CA -0.473 53.554 54.000 0.044 0.000 0.810 187 D CB 0.583 41.406 40.800 0.038 0.000 1.351 187 D HN -0.098 nan 8.370 nan 0.000 0.427 188 A N 0.379 123.221 122.820 0.036 0.000 1.933 188 A HA 0.124 4.444 4.320 0.001 0.000 0.218 188 A C 2.165 179.769 177.584 0.033 0.000 1.175 188 A CA 2.268 54.326 52.037 0.036 0.000 0.628 188 A CB -1.304 17.713 19.000 0.028 0.000 0.814 188 A HN 0.772 nan 8.150 nan 0.000 0.444 189 A N -0.623 122.213 122.820 0.027 0.000 1.933 189 A HA -0.166 4.155 4.320 0.001 0.000 0.218 189 A C 2.014 179.606 177.584 0.014 0.000 1.175 189 A CA 1.717 53.765 52.037 0.018 0.000 0.628 189 A CB -0.438 18.571 19.000 0.015 0.000 0.814 189 A HN 0.658 nan 8.150 nan 0.000 0.444 190 E N -0.891 119.326 120.200 0.028 0.000 2.072 190 E HA -0.243 4.107 4.350 0.001 0.000 0.190 190 E C 2.184 178.787 176.600 0.006 0.000 0.982 190 E CA 1.194 57.610 56.400 0.027 0.000 0.803 190 E CB -0.091 29.656 29.700 0.078 0.000 0.755 190 E HN 0.612 nan 8.360 nan 0.000 0.453 191 Q N 0.389 120.220 119.800 0.052 0.000 2.062 191 Q HA -0.190 4.151 4.340 0.001 0.000 0.209 191 Q C 1.944 177.960 176.000 0.027 0.000 0.996 191 Q CA 2.977 58.834 55.803 0.089 0.000 0.859 191 Q CB -0.682 28.118 28.738 0.103 0.000 0.920 191 Q HN 0.231 nan 8.270 nan 0.000 0.415 192 T N 0.003 114.565 114.554 0.013 0.000 2.674 192 T HA -0.149 4.202 4.350 0.001 0.000 0.265 192 T C 2.058 176.732 174.700 -0.042 0.000 1.039 192 T CA 2.364 64.463 62.100 -0.001 0.000 1.150 192 T CB -0.705 68.167 68.868 0.006 0.000 0.864 192 T HN 0.543 nan 8.240 nan 0.000 0.427 193 K N 0.674 121.040 120.400 -0.057 0.000 2.360 193 K HA 0.110 4.431 4.320 0.001 0.000 0.201 193 K C 2.026 178.527 176.600 -0.165 0.000 1.046 193 K CA 1.066 57.303 56.287 -0.084 0.000 0.940 193 K CB -0.858 31.604 32.500 -0.063 0.000 0.748 193 K HN 0.454 nan 8.250 nan 0.000 0.465 194 L N -2.729 118.331 121.223 -0.273 0.000 2.670 194 L HA 0.216 4.557 4.340 0.001 0.000 0.177 194 L C 1.777 178.351 176.870 -0.494 0.000 1.181 194 L CA 0.159 54.669 54.840 -0.550 0.000 0.856 194 L CB 0.476 41.937 42.059 -0.998 0.000 1.205 194 L HN 0.402 nan 8.230 nan 0.000 0.506 195 Y N -0.367 119.908 120.300 -0.042 0.000 2.485 195 Y HA 0.346 4.896 4.550 0.001 0.000 0.260 195 Y C 1.794 177.651 175.900 -0.071 0.000 1.173 195 Y CA 0.480 58.502 58.100 -0.130 0.000 1.252 195 Y CB -0.191 38.031 38.460 -0.396 0.000 1.123 195 Y HN 0.315 nan 8.280 nan 0.000 0.524 196 Q N 0.691 120.524 119.800 0.055 0.000 2.117 196 Q HA -0.371 3.969 4.340 0.001 0.000 0.177 196 Q C 0.309 176.345 176.000 0.059 0.000 2.920 196 Q CA 1.873 57.712 55.803 0.059 0.000 0.193 196 Q CB -2.201 26.595 28.738 0.096 0.000 0.212 196 Q HN 0.752 nan 8.270 nan 0.000 0.373 197 N N 3.574 122.313 118.700 0.066 0.000 2.357 197 N HA 0.366 5.106 4.740 0.001 0.000 0.257 197 N C -2.272 173.261 175.510 0.038 0.000 1.250 197 N CA -0.466 52.613 53.050 0.048 0.000 0.862 197 N CB 0.787 39.293 38.487 0.031 0.000 1.066 197 N HN 0.745 nan 8.380 nan 0.000 0.468 198 P HA 0.091 nan 4.420 nan 0.000 0.281 198 P C -0.637 176.684 177.300 0.036 0.000 1.264 198 P CA -0.181 62.942 63.100 0.040 0.000 0.824 198 P CB 0.821 32.543 31.700 0.037 0.000 1.092 199 T N -1.719 112.857 114.554 0.037 0.000 2.039 199 T HA -0.112 4.239 4.350 0.001 0.000 0.569 199 T C -0.281 174.448 174.700 0.049 0.000 0.886 199 T CA 0.605 62.731 62.100 0.043 0.000 3.026 199 T CB -2.626 66.270 68.868 0.047 0.000 1.790 199 T HN 0.597 nan 8.240 nan 0.000 0.418 200 T N 3.141 117.710 114.554 0.025 0.000 2.905 200 T HA 0.853 5.203 4.350 0.001 0.000 0.283 200 T C -0.624 174.117 174.700 0.068 0.000 1.031 200 T CA -0.225 61.860 62.100 -0.026 0.000 1.002 200 T CB 1.113 69.876 68.868 -0.176 0.000 1.200 200 T HN 1.106 nan 8.240 nan 0.000 0.560 201 Y N -1.466 118.787 120.300 -0.079 0.000 2.670 201 Y HA 0.788 5.338 4.550 0.001 0.000 0.334 201 Y C -1.964 173.863 175.900 -0.120 0.000 1.185 201 Y CA -1.524 56.526 58.100 -0.083 0.000 1.053 201 Y CB 0.973 39.392 38.460 -0.068 0.000 1.298 201 Y HN 0.460 nan 8.280 nan 0.000 0.459 202 I N 3.126 123.701 120.570 0.008 0.000 2.476 202 I HA 0.330 4.500 4.170 0.001 0.000 0.281 202 I C -0.618 175.511 176.117 0.020 0.000 1.040 202 I CA -0.799 60.427 61.300 -0.123 0.000 1.094 202 I CB 1.918 39.831 38.000 -0.144 0.000 1.219 202 I HN 0.754 nan 8.210 nan 0.000 0.450 203 S N 6.193 121.953 115.700 0.099 0.000 2.537 203 S HA 0.722 5.192 4.470 0.001 0.000 0.275 203 S C -0.496 173.996 174.600 -0.180 0.000 1.272 203 S CA -0.437 57.760 58.200 -0.006 0.000 1.050 203 S CB 1.555 64.775 63.200 0.033 0.000 0.961 203 S HN 0.321 nan 8.310 nan 0.000 0.496 204 V N 2.814 122.580 119.914 -0.246 0.000 2.524 204 V HA 0.753 4.874 4.120 0.001 0.000 0.297 204 V C 0.526 176.395 176.094 -0.376 0.000 1.035 204 V CA -0.419 61.587 62.300 -0.489 0.000 0.867 204 V CB 1.325 32.790 31.823 -0.597 0.000 1.004 204 V HN 1.164 nan 8.190 nan 0.000 0.426 205 G N 2.101 110.655 108.800 -0.411 0.000 2.482 205 G HA2 0.785 4.746 3.960 0.001 0.000 0.317 205 G HA3 0.785 4.746 3.960 0.001 0.000 0.317 205 G C -0.768 173.990 174.900 -0.238 0.000 1.241 205 G CA -0.374 44.575 45.100 -0.252 0.000 0.967 205 G HN 0.598 nan 8.290 nan 0.000 0.482 206 T N -0.228 114.243 114.554 -0.138 0.000 2.647 206 T HA 0.349 4.699 4.350 0.001 0.000 0.295 206 T C 1.653 176.321 174.700 -0.052 0.000 1.126 206 T CA -0.078 61.970 62.100 -0.087 0.000 1.040 206 T CB 1.226 70.066 68.868 -0.047 0.000 1.472 206 T HN 0.331 nan 8.240 nan 0.000 0.500 207 S N 0.729 116.414 115.700 -0.026 0.000 2.372 207 S HA -0.162 4.308 4.470 0.001 0.000 0.227 207 S C 2.059 176.651 174.600 -0.012 0.000 1.044 207 S CA 2.508 60.699 58.200 -0.015 0.000 1.050 207 S CB -0.392 62.809 63.200 0.002 0.000 0.901 207 S HN 0.890 nan 8.310 nan 0.000 0.447 208 T N -1.972 112.579 114.554 -0.005 0.000 3.026 208 T HA 0.323 4.673 4.350 0.001 0.000 0.245 208 T C 0.447 175.143 174.700 -0.006 0.000 1.004 208 T CA -0.335 61.765 62.100 0.001 0.000 1.069 208 T CB -0.349 68.528 68.868 0.016 0.000 1.005 208 T HN 0.124 nan 8.240 nan 0.000 0.472 209 L N 3.244 124.463 121.223 -0.006 0.000 2.426 209 L HA 0.561 4.902 4.340 0.001 0.000 0.271 209 L C -0.329 176.517 176.870 -0.040 0.000 1.169 209 L CA 0.181 55.017 54.840 -0.008 0.000 0.836 209 L CB 0.637 42.705 42.059 0.015 0.000 1.112 209 L HN 0.419 nan 8.230 nan 0.000 0.465 210 N N 2.973 121.653 118.700 -0.034 0.000 2.824 210 N HA 0.194 4.935 4.740 0.001 0.000 0.224 210 N C -1.740 173.743 175.510 -0.045 0.000 1.418 210 N CA -0.569 52.450 53.050 -0.051 0.000 0.743 210 N CB 0.609 39.071 38.487 -0.041 0.000 1.395 210 N HN 0.690 nan 8.380 nan 0.000 0.548 211 Q N -0.726 119.041 119.800 -0.055 0.000 2.342 211 Q HA 0.828 5.169 4.340 0.001 0.000 0.267 211 Q C -0.570 175.388 176.000 -0.070 0.000 1.038 211 Q CA -1.112 54.659 55.803 -0.054 0.000 0.832 211 Q CB 1.648 30.357 28.738 -0.048 0.000 1.323 211 Q HN 0.279 nan 8.270 nan 0.000 0.448 212 R N 2.820 123.285 120.500 -0.059 0.000 2.415 212 R HA 0.440 4.780 4.340 0.001 0.000 0.292 212 R C -0.945 175.342 176.300 -0.023 0.000 1.295 212 R CA -0.550 55.527 56.100 -0.038 0.000 1.137 212 R CB 0.051 30.309 30.300 -0.069 0.000 1.135 212 R HN 0.718 nan 8.270 nan 0.000 0.560 213 L N 1.490 122.689 121.223 -0.040 0.000 2.439 213 L HA 0.785 5.126 4.340 0.001 0.000 0.269 213 L C 0.621 177.508 176.870 0.028 0.000 1.179 213 L CA -0.509 54.301 54.840 -0.050 0.000 0.828 213 L CB 1.441 43.405 42.059 -0.159 0.000 1.106 213 L HN 0.594 nan 8.230 nan 0.000 0.467 214 V N 2.913 122.861 119.914 0.056 0.000 2.709 214 V HA 0.646 4.766 4.120 0.001 0.000 0.308 214 V C -2.388 173.777 176.094 0.118 0.000 1.062 214 V CA -1.894 60.451 62.300 0.076 0.000 0.901 214 V CB 2.035 33.898 31.823 0.067 0.000 1.003 214 V HN 0.488 nan 8.190 nan 0.000 0.425 215 P HA 0.479 nan 4.420 nan 0.000 0.276 215 P C -1.053 176.346 177.300 0.164 0.000 1.230 215 P CA -0.233 62.983 63.100 0.194 0.000 0.776 215 P CB 0.803 32.540 31.700 0.062 0.000 0.888 216 R N 2.544 123.146 120.500 0.170 0.000 2.494 216 R HA 0.606 4.946 4.340 0.001 0.000 0.305 216 R C -0.246 176.043 176.300 -0.017 0.000 0.959 216 R CA -1.064 55.032 56.100 -0.006 0.000 0.864 216 R CB 0.948 31.182 30.300 -0.110 0.000 1.159 216 R HN 0.195 nan 8.270 nan 0.000 0.446 217 I N 1.678 122.248 120.570 -0.000 0.000 2.581 217 I HA 0.558 4.729 4.170 0.001 0.000 0.288 217 I C 0.272 176.380 176.117 -0.015 0.000 1.047 217 I CA -0.358 60.945 61.300 0.005 0.000 1.374 217 I CB 1.141 39.151 38.000 0.018 0.000 1.423 217 I HN 0.964 nan 8.210 nan 0.000 0.549 218 A N 3.123 125.939 122.820 -0.007 0.000 2.583 218 A HA 0.516 4.836 4.320 0.001 0.000 0.298 218 A C -0.295 177.293 177.584 0.006 0.000 1.055 218 A CA -0.668 51.364 52.037 -0.009 0.000 0.714 218 A CB 0.917 19.899 19.000 -0.030 0.000 1.277 218 A HN 0.729 nan 8.150 nan 0.000 0.406 219 T N 0.702 115.261 114.554 0.007 0.000 2.987 219 T HA 0.527 4.878 4.350 0.001 0.000 0.288 219 T C 0.234 174.940 174.700 0.010 0.000 0.981 219 T CA -0.240 61.868 62.100 0.013 0.000 1.031 219 T CB -0.641 68.235 68.868 0.012 0.000 0.976 219 T HN 0.624 nan 8.240 nan 0.000 0.612 220 R N 1.891 122.400 120.500 0.014 0.000 2.543 220 R HA 0.597 4.938 4.340 0.001 0.000 0.268 220 R C 0.803 177.111 176.300 0.012 0.000 1.067 220 R CA -0.671 55.436 56.100 0.012 0.000 1.142 220 R CB 0.599 30.909 30.300 0.016 0.000 1.110 220 R HN 0.517 nan 8.270 nan 0.000 0.549 221 S N 0.535 116.240 115.700 0.008 0.000 2.612 221 S HA 0.074 4.544 4.470 0.001 0.000 0.253 221 S C -0.017 174.585 174.600 0.004 0.000 1.346 221 S CA -0.117 58.087 58.200 0.006 0.000 0.976 221 S CB 0.337 63.540 63.200 0.005 0.000 0.949 221 S HN 0.294 nan 8.310 nan 0.000 0.584 222 K N 0.785 121.185 120.400 -0.000 0.000 2.182 222 K HA 0.636 4.956 4.320 0.001 0.000 0.262 222 K C -1.504 175.087 176.600 -0.015 0.000 0.957 222 K CA -0.543 55.738 56.287 -0.009 0.000 0.842 222 K CB 1.595 34.093 32.500 -0.005 0.000 1.099 222 K HN 0.278 nan 8.250 nan 0.000 0.438 223 V N 2.727 122.621 119.914 -0.033 0.000 2.668 223 V HA 0.201 4.322 4.120 0.001 0.000 0.304 223 V C -0.376 175.684 176.094 -0.057 0.000 1.071 223 V CA -1.270 61.011 62.300 -0.032 0.000 0.894 223 V CB 1.609 33.418 31.823 -0.023 0.000 1.008 223 V HN 0.896 nan 8.190 nan 0.000 0.425 224 N N 3.510 122.188 118.700 -0.037 0.000 2.714 224 N HA -0.240 4.500 4.740 0.001 0.000 0.253 224 N C 1.226 176.706 175.510 -0.050 0.000 1.024 224 N CA 1.619 54.647 53.050 -0.038 0.000 0.726 224 N CB -0.968 37.494 38.487 -0.042 0.000 0.908 224 N HN 1.694 nan 8.380 nan 0.000 0.542 225 G N -1.181 107.599 108.800 -0.033 0.000 2.498 225 G HA2 -0.359 3.602 3.960 0.001 0.000 0.229 225 G HA3 -0.359 3.602 3.960 0.001 0.000 0.229 225 G C -0.055 174.827 174.900 -0.031 0.000 1.156 225 G CA 0.583 45.671 45.100 -0.020 0.000 0.680 225 G HN 0.453 nan 8.290 nan 0.000 0.512 226 Q N 0.491 120.236 119.800 -0.092 0.000 2.230 226 Q HA 0.631 4.971 4.340 0.001 0.000 0.248 226 Q C 0.901 176.854 176.000 -0.077 0.000 0.915 226 Q CA 0.421 56.158 55.803 -0.110 0.000 0.900 226 Q CB 1.606 30.127 28.738 -0.361 0.000 1.229 226 Q HN 0.358 nan 8.270 nan 0.000 0.439 227 S N 0.702 116.402 115.700 -0.001 0.000 2.505 227 S HA 0.171 4.642 4.470 0.001 0.000 0.216 227 S C 0.767 175.407 174.600 0.067 0.000 1.018 227 S CA 0.299 58.512 58.200 0.022 0.000 0.911 227 S CB 0.183 63.404 63.200 0.035 0.000 0.818 227 S HN 0.701 nan 8.310 nan 0.000 0.497 228 G N 1.390 110.277 108.800 0.145 0.000 2.683 228 G HA2 0.485 4.446 3.960 0.001 0.000 0.260 228 G HA3 0.485 4.446 3.960 0.001 0.000 0.260 228 G C -0.562 174.514 174.900 0.294 0.000 1.238 228 G CA -0.364 44.898 45.100 0.271 0.000 0.934 228 G HN 0.346 nan 8.290 nan 0.000 0.534 229 R N -1.031 119.690 120.500 0.368 0.000 2.626 229 R HA 0.420 4.760 4.340 0.001 0.000 0.274 229 R C -1.356 175.117 176.300 0.288 0.000 1.031 229 R CA -0.922 55.385 56.100 0.346 0.000 0.898 229 R CB 1.976 32.407 30.300 0.219 0.000 1.222 229 R HN 0.496 nan 8.270 nan 0.000 0.455 230 M N 1.305 121.012 119.600 0.180 0.000 2.243 230 M HA 0.319 4.800 4.480 0.001 0.000 0.324 230 M C -0.682 175.351 176.300 -0.445 0.000 1.031 230 M CA -0.131 55.022 55.300 -0.245 0.000 0.949 230 M CB 1.669 34.071 32.600 -0.331 0.000 1.615 230 M HN 0.436 nan 8.290 nan 0.000 0.430 231 E N 3.524 123.401 120.200 -0.539 0.000 2.165 231 E HA 0.475 4.825 4.350 0.001 0.000 0.266 231 E C -1.596 174.648 176.600 -0.593 0.000 0.889 231 E CA -0.361 55.796 56.400 -0.405 0.000 0.756 231 E CB 0.998 30.700 29.700 0.004 0.000 1.131 231 E HN 0.548 nan 8.360 nan 0.000 0.411 232 F N 3.361 123.071 119.950 -0.401 0.000 2.440 232 F HA 0.569 5.096 4.527 0.001 0.000 0.328 232 F C -0.214 175.122 175.800 -0.774 0.000 1.070 232 F CA -0.528 57.142 58.000 -0.551 0.000 1.011 232 F CB 0.969 39.418 39.000 -0.918 0.000 1.226 232 F HN 0.379 nan 8.300 nan 0.000 0.491 233 F N 0.653 120.297 119.950 -0.510 0.000 2.626 233 F HA 0.523 5.050 4.527 0.001 0.000 0.311 233 F C -0.950 174.306 175.800 -0.907 0.000 1.088 233 F CA -1.305 56.298 58.000 -0.661 0.000 0.949 233 F CB 1.918 40.451 39.000 -0.778 0.000 1.322 233 F HN 0.459 nan 8.300 nan 0.000 0.461 234 W N -0.135 120.808 121.300 -0.596 0.000 3.047 234 W HA 0.812 5.472 4.660 0.001 0.000 0.341 234 W C -1.751 174.717 176.519 -0.086 0.000 1.225 234 W CA -1.125 55.947 57.345 -0.456 0.000 1.150 234 W CB 1.319 30.733 29.460 -0.076 0.000 1.470 234 W HN 0.620 nan 8.180 nan 0.000 0.578 235 T N 0.892 115.720 114.554 0.458 0.000 2.769 235 T HA 0.481 4.831 4.350 0.001 0.000 0.306 235 T C -1.859 173.143 174.700 0.503 0.000 1.400 235 T CA -0.571 61.778 62.100 0.414 0.000 1.007 235 T CB 1.568 70.697 68.868 0.436 0.000 1.392 235 T HN 0.313 nan 8.240 nan 0.000 0.500 236 I N 3.648 124.448 120.570 0.383 0.000 2.328 236 I HA 0.401 4.572 4.170 0.001 0.000 0.287 236 I C -0.466 175.801 176.117 0.250 0.000 1.012 236 I CA -0.699 60.801 61.300 0.333 0.000 1.195 236 I CB 0.933 39.115 38.000 0.304 0.000 1.350 236 I HN 0.467 nan 8.210 nan 0.000 0.464 237 L N 7.357 128.730 121.223 0.250 0.000 2.278 237 L HA 0.366 4.706 4.340 0.001 0.000 0.287 237 L C 0.830 177.795 176.870 0.158 0.000 1.072 237 L CA 0.056 55.013 54.840 0.195 0.000 0.819 237 L CB 0.624 42.820 42.059 0.229 0.000 1.176 237 L HN 0.739 nan 8.230 nan 0.000 0.435 238 K N 6.109 126.578 120.400 0.115 0.000 2.276 238 K HA 0.280 4.601 4.320 0.001 0.000 0.259 238 K C -1.802 174.844 176.600 0.076 0.000 1.001 238 K CA -0.478 55.865 56.287 0.093 0.000 0.927 238 K CB -1.149 31.392 32.500 0.069 0.000 0.969 238 K HN 0.610 nan 8.250 nan 0.000 0.490 239 P HA -0.252 nan 4.420 nan 0.000 0.224 239 P C 0.241 177.561 177.300 0.032 0.000 1.130 239 P CA 2.271 65.404 63.100 0.054 0.000 0.976 239 P CB 0.168 31.895 31.700 0.043 0.000 0.781 240 N N -2.105 116.604 118.700 0.016 0.000 2.416 240 N HA 0.090 4.831 4.740 0.001 0.000 0.267 240 N C -0.591 174.905 175.510 -0.023 0.000 1.294 240 N CA -0.141 52.902 53.050 -0.011 0.000 0.891 240 N CB -0.136 38.345 38.487 -0.009 0.000 1.238 240 N HN 0.031 nan 8.380 nan 0.000 0.508 241 D N -0.008 120.385 120.400 -0.012 0.000 2.478 241 D HA 0.709 5.349 4.640 0.001 0.000 0.263 241 D C -0.808 175.466 176.300 -0.044 0.000 1.153 241 D CA -0.589 53.401 54.000 -0.017 0.000 1.038 241 D CB 1.413 42.220 40.800 0.011 0.000 1.120 241 D HN 0.112 nan 8.370 nan 0.000 0.564 242 A N 1.043 123.835 122.820 -0.046 0.000 2.422 242 A HA 0.580 4.900 4.320 0.001 0.000 0.302 242 A C -1.118 176.434 177.584 -0.053 0.000 1.041 242 A CA -0.699 51.301 52.037 -0.062 0.000 0.708 242 A CB 0.840 19.790 19.000 -0.084 0.000 1.257 242 A HN 0.559 nan 8.150 nan 0.000 0.414 243 I N 2.251 122.805 120.570 -0.027 0.000 2.354 243 I HA 0.379 4.549 4.170 0.001 0.000 0.292 243 I C -1.032 174.928 176.117 -0.263 0.000 0.989 243 I CA -0.642 60.548 61.300 -0.184 0.000 1.188 243 I CB 0.923 38.817 38.000 -0.177 0.000 1.342 243 I HN 0.626 nan 8.210 nan 0.000 0.457 244 N N 8.087 126.534 118.700 -0.422 0.000 2.524 244 N HA 0.327 5.067 4.740 0.001 0.000 0.261 244 N C -1.312 173.946 175.510 -0.421 0.000 0.998 244 N CA -0.286 52.600 53.050 -0.274 0.000 0.915 244 N CB 1.291 39.685 38.487 -0.154 0.000 1.187 244 N HN 0.340 nan 8.380 nan 0.000 0.507 245 F N 0.980 120.839 119.950 -0.152 0.000 2.378 245 F HA 0.400 4.927 4.527 0.001 0.000 0.325 245 F C 0.918 176.586 175.800 -0.220 0.000 1.097 245 F CA -0.522 57.317 58.000 -0.269 0.000 1.079 245 F CB 1.225 40.066 39.000 -0.266 0.000 1.240 245 F HN 0.334 nan 8.300 nan 0.000 0.519 246 E N 0.894 121.017 120.200 -0.129 0.000 2.481 246 E HA 0.417 4.768 4.350 0.001 0.000 0.301 246 E C -1.928 174.515 176.600 -0.262 0.000 0.948 246 E CA -0.422 55.919 56.400 -0.099 0.000 0.804 246 E CB 1.645 31.372 29.700 0.045 0.000 1.265 246 E HN 0.565 nan 8.360 nan 0.000 0.406 247 S N 3.003 118.477 115.700 -0.376 0.000 2.556 247 S HA 0.360 4.831 4.470 0.001 0.000 0.271 247 S C -0.476 173.860 174.600 -0.440 0.000 1.135 247 S CA -0.634 57.189 58.200 -0.629 0.000 0.858 247 S CB 1.687 64.550 63.200 -0.561 0.000 1.114 247 S HN 0.668 nan 8.310 nan 0.000 0.468 248 N N 1.340 119.619 118.700 -0.702 0.000 2.299 248 N HA 0.279 5.019 4.740 0.001 0.000 0.187 248 N C 0.424 175.754 175.510 -0.300 0.000 1.099 248 N CA 0.627 53.484 53.050 -0.321 0.000 0.867 248 N CB 0.443 38.710 38.487 -0.367 0.000 0.974 248 N HN 0.864 nan 8.380 nan 0.000 0.477 249 G N -0.006 108.475 108.800 -0.532 0.000 2.336 249 G HA2 0.027 3.988 3.960 0.001 0.000 0.300 249 G HA3 0.027 3.988 3.960 0.001 0.000 0.300 249 G C -0.740 173.682 174.900 -0.796 0.000 1.375 249 G CA -0.516 43.943 45.100 -1.069 0.000 0.885 249 G HN 0.165 nan 8.290 nan 0.000 0.599 250 N N -2.165 115.725 118.700 -1.351 0.000 2.741 250 N HA -0.189 4.552 4.740 0.001 0.000 0.251 250 N C -0.230 175.057 175.510 -0.372 0.000 1.112 250 N CA 1.499 53.912 53.050 -1.061 0.000 0.750 250 N CB -1.021 37.136 38.487 -0.551 0.000 1.119 250 N HN 0.871 nan 8.380 nan 0.000 0.561 251 F N 1.383 121.093 119.950 -0.399 0.000 2.405 251 F HA 0.520 5.047 4.527 0.001 0.000 0.355 251 F C 0.048 175.776 175.800 -0.120 0.000 1.121 251 F CA -1.677 56.202 58.000 -0.202 0.000 1.112 251 F CB 0.391 39.287 39.000 -0.174 0.000 1.126 251 F HN 0.018 nan 8.300 nan 0.000 0.481 252 I N 7.094 127.465 120.570 -0.332 0.000 2.316 252 I HA 0.349 4.520 4.170 0.001 0.000 0.286 252 I C 0.316 176.045 176.117 -0.648 0.000 1.107 252 I CA -0.203 60.862 61.300 -0.393 0.000 1.219 252 I CB 0.169 38.086 38.000 -0.138 0.000 1.455 252 I HN 0.717 nan 8.210 nan 0.000 0.498 253 A N 8.118 130.186 122.820 -1.253 0.000 2.304 253 A HA 0.664 4.985 4.320 0.001 0.000 0.271 253 A C -2.394 174.966 177.584 -0.374 0.000 1.091 253 A CA -1.312 50.022 52.037 -1.173 0.000 0.812 253 A CB -0.069 18.176 19.000 -1.259 0.000 1.056 253 A HN 0.328 nan 8.150 nan 0.000 0.489 254 P HA 0.164 nan 4.420 nan 0.000 0.279 254 P C -0.127 177.130 177.300 -0.072 0.000 1.239 254 P CA 0.098 63.155 63.100 -0.072 0.000 0.789 254 P CB 1.574 33.266 31.700 -0.014 0.000 0.933 255 E N 2.010 122.183 120.200 -0.044 0.000 2.206 255 E HA 0.025 4.375 4.350 0.001 0.000 0.195 255 E C -0.376 175.972 176.600 -0.420 0.000 0.935 255 E CA 0.286 56.588 56.400 -0.163 0.000 0.875 255 E CB 0.234 29.915 29.700 -0.031 0.000 0.841 255 E HN 0.435 nan 8.360 nan 0.000 0.477 256 Y N -0.030 120.185 120.300 -0.141 0.000 2.364 256 Y HA 0.595 5.145 4.550 0.001 0.000 0.340 256 Y C 0.017 175.727 175.900 -0.317 0.000 0.975 256 Y CA -0.772 57.183 58.100 -0.241 0.000 1.089 256 Y CB 2.009 40.303 38.460 -0.277 0.000 1.192 256 Y HN 0.059 nan 8.280 nan 0.000 0.454 257 A N 2.256 124.952 122.820 -0.206 0.000 2.373 257 A HA 0.834 5.155 4.320 0.001 0.000 0.291 257 A C -2.022 175.298 177.584 -0.439 0.000 1.171 257 A CA -0.663 51.252 52.037 -0.204 0.000 0.922 257 A CB 0.818 19.794 19.000 -0.039 0.000 1.400 257 A HN 0.669 nan 8.150 nan 0.000 0.474 258 Y N 0.493 120.733 120.300 -0.101 0.000 2.350 258 Y HA 0.384 4.935 4.550 0.001 0.000 0.338 258 Y C 0.846 176.788 175.900 0.071 0.000 0.961 258 Y CA -0.556 57.453 58.100 -0.150 0.000 1.100 258 Y CB 1.880 39.896 38.460 -0.740 0.000 1.179 258 Y HN 0.680 nan 8.280 nan 0.000 0.454 259 K N 0.883 121.445 120.400 0.270 0.000 3.044 259 K HA 0.459 4.780 4.320 0.001 0.000 0.336 259 K C 0.324 177.157 176.600 0.388 0.000 1.014 259 K CA 0.662 57.113 56.287 0.274 0.000 1.380 259 K CB 0.056 32.667 32.500 0.184 0.000 1.480 259 K HN 0.527 nan 8.250 nan 0.000 0.595 260 V N -4.931 115.004 119.914 0.035 0.000 4.945 260 V HA 0.143 4.263 4.120 0.001 0.000 0.130 260 V C -0.419 175.685 176.094 0.017 0.000 1.286 260 V CA -0.219 62.112 62.300 0.052 0.000 0.949 260 V CB -0.236 31.649 31.823 0.105 0.000 1.082 260 V HN 0.461 nan 8.190 nan 0.000 0.653 261 K N 1.393 121.770 120.400 -0.040 0.000 2.235 261 K HA 0.797 5.118 4.320 0.001 0.000 0.266 261 K C -0.550 175.955 176.600 -0.159 0.000 0.980 261 K CA -0.581 55.651 56.287 -0.092 0.000 0.849 261 K CB 1.199 33.623 32.500 -0.126 0.000 1.098 261 K HN 0.578 nan 8.250 nan 0.000 0.445 262 K N 0.487 120.822 120.400 -0.108 0.000 2.164 262 K HA 0.829 5.149 4.320 0.001 0.000 0.258 262 K C 0.153 176.695 176.600 -0.096 0.000 0.951 262 K CA -0.204 56.022 56.287 -0.102 0.000 0.844 262 K CB 2.066 34.536 32.500 -0.051 0.000 1.099 262 K HN 1.017 nan 8.250 nan 0.000 0.435 263 G N 1.163 109.906 108.800 -0.095 0.000 2.343 263 G HA2 -0.026 3.934 3.960 0.001 0.000 0.289 263 G HA3 -0.026 3.934 3.960 0.001 0.000 0.289 263 G C -1.818 173.041 174.900 -0.070 0.000 1.295 263 G CA -0.918 44.135 45.100 -0.078 0.000 0.869 263 G HN 0.482 nan 8.290 nan 0.000 0.522 264 D N 1.018 121.388 120.400 -0.051 0.000 2.338 264 D HA 0.513 5.153 4.640 0.001 0.000 0.255 264 D C 0.240 176.535 176.300 -0.009 0.000 1.237 264 D CA 0.857 54.838 54.000 -0.031 0.000 0.883 264 D CB 1.515 42.301 40.800 -0.023 0.000 1.087 264 D HN 0.530 nan 8.370 nan 0.000 0.485 265 S N 1.847 117.557 115.700 0.017 0.000 2.732 265 S HA 0.711 5.182 4.470 0.001 0.000 0.293 265 S C -0.798 173.851 174.600 0.082 0.000 1.159 265 S CA -0.499 57.762 58.200 0.102 0.000 0.847 265 S CB 2.357 65.673 63.200 0.193 0.000 1.169 265 S HN 0.302 nan 8.310 nan 0.000 0.501 266 T N 0.995 115.631 114.554 0.136 0.000 2.894 266 T HA 0.539 4.890 4.350 0.001 0.000 0.309 266 T C -1.527 173.220 174.700 0.078 0.000 1.208 266 T CA -0.601 61.540 62.100 0.069 0.000 1.016 266 T CB 0.793 69.680 68.868 0.033 0.000 1.192 266 T HN 0.560 nan 8.240 nan 0.000 0.491 267 I N 4.088 124.663 120.570 0.009 0.000 2.291 267 I HA 0.378 4.549 4.170 0.001 0.000 0.290 267 I C 0.097 176.209 176.117 -0.008 0.000 1.050 267 I CA -0.374 60.910 61.300 -0.027 0.000 1.245 267 I CB 0.996 38.950 38.000 -0.076 0.000 1.405 267 I HN 0.502 nan 8.210 nan 0.000 0.478 268 M N 7.019 126.634 119.600 0.024 0.000 2.149 268 M HA 0.339 4.819 4.480 0.001 0.000 0.342 268 M C -0.642 175.654 176.300 -0.007 0.000 1.068 268 M CA -0.558 54.758 55.300 0.027 0.000 0.991 268 M CB 0.836 33.499 32.600 0.105 0.000 1.596 268 M HN 0.289 nan 8.290 nan 0.000 0.439 269 K N 3.681 124.066 120.400 -0.025 0.000 2.262 269 K HA 0.249 4.570 4.320 0.001 0.000 0.288 269 K C -1.008 175.564 176.600 -0.046 0.000 1.090 269 K CA 0.026 56.295 56.287 -0.030 0.000 0.918 269 K CB 0.500 32.990 32.500 -0.016 0.000 1.139 269 K HN 0.718 nan 8.250 nan 0.000 0.462 270 S N 1.782 117.461 115.700 -0.034 0.000 2.546 270 S HA 0.254 4.724 4.470 0.001 0.000 0.274 270 S C 0.169 174.760 174.600 -0.015 0.000 1.121 270 S CA -0.621 57.560 58.200 -0.033 0.000 0.887 270 S CB 1.044 64.230 63.200 -0.023 0.000 1.094 270 S HN 0.435 nan 8.310 nan 0.000 0.474 271 E N 2.372 122.568 120.200 -0.007 0.000 2.479 271 E HA 0.198 4.549 4.350 0.001 0.000 0.193 271 E C 0.182 176.789 176.600 0.010 0.000 1.049 271 E CA 0.058 56.459 56.400 0.002 0.000 0.870 271 E CB 0.059 29.763 29.700 0.006 0.000 0.944 271 E HN 0.537 nan 8.360 nan 0.000 0.492 272 L N 1.350 122.582 121.223 0.014 0.000 2.453 272 L HA 0.114 4.455 4.340 0.001 0.000 0.261 272 L C 0.908 177.800 176.870 0.036 0.000 1.179 272 L CA 0.082 54.938 54.840 0.026 0.000 0.813 272 L CB 0.584 42.663 42.059 0.033 0.000 1.110 272 L HN -0.122 nan 8.230 nan 0.000 0.466 273 E N 0.098 120.324 120.200 0.043 0.000 2.280 273 E HA 0.149 4.500 4.350 0.001 0.000 0.264 273 E C -0.955 175.709 176.600 0.107 0.000 1.064 273 E CA -0.671 55.769 56.400 0.067 0.000 0.900 273 E CB 1.162 30.894 29.700 0.053 0.000 1.123 273 E HN 0.364 nan 8.360 nan 0.000 0.418 274 Y N -0.205 120.090 120.300 -0.009 0.000 2.757 274 Y HA 0.026 4.576 4.550 0.001 0.000 0.344 274 Y C 1.127 177.028 175.900 0.002 0.000 1.263 274 Y CA 0.527 58.623 58.100 -0.007 0.000 1.493 274 Y CB 0.623 39.074 38.460 -0.016 0.000 1.342 274 Y HN 0.607 nan 8.280 nan 0.000 0.627 275 G N 2.689 111.113 108.800 -0.627 0.000 3.274 275 G HA2 -0.013 3.948 3.960 0.001 0.000 0.250 275 G HA3 -0.013 3.948 3.960 0.001 0.000 0.250 275 G C -0.331 174.215 174.900 -0.590 0.000 1.024 275 G CA -0.026 44.802 45.100 -0.454 0.000 0.840 275 G HN 0.812 nan 8.290 nan 0.000 0.522 276 N N -0.214 117.775 118.700 -1.185 0.000 2.738 276 N HA -0.168 4.572 4.740 0.001 0.000 0.249 276 N C 0.190 175.534 175.510 -0.278 0.000 1.047 276 N CA 1.236 53.919 53.050 -0.612 0.000 0.707 276 N CB -2.154 36.175 38.487 -0.263 0.000 0.937 276 N HN 0.671 nan 8.380 nan 0.000 0.545 277 c N -1.612 116.844 118.600 -0.240 0.000 3.285 277 c HA 0.709 5.280 4.570 0.001 0.000 0.320 277 c C 0.086 174.169 174.090 -0.011 0.000 1.411 277 c CA -1.163 55.110 56.329 -0.092 0.000 1.429 277 c CB 2.007 44.462 42.510 -0.091 0.000 1.812 277 c HN 0.457 nan 8.230 nan 0.000 0.454 278 N N -0.164 118.540 118.700 0.005 0.000 2.269 278 N HA 0.815 5.555 4.740 0.001 0.000 0.304 278 N C -0.991 174.531 175.510 0.019 0.000 1.072 278 N CA 0.035 53.104 53.050 0.031 0.000 0.802 278 N CB 2.210 40.715 38.487 0.030 0.000 1.348 278 N HN 1.041 nan 8.380 nan 0.000 0.484 279 T N -1.826 112.744 114.554 0.026 0.000 2.843 279 T HA 0.401 4.751 4.350 0.001 0.000 0.302 279 T C 0.552 175.253 174.700 0.002 0.000 1.232 279 T CA -0.666 61.438 62.100 0.006 0.000 1.009 279 T CB 1.314 70.179 68.868 -0.006 0.000 1.254 279 T HN 0.427 nan 8.240 nan 0.000 0.504 280 K N -1.274 119.118 120.400 -0.012 0.000 2.444 280 K HA 0.531 4.851 4.320 0.001 0.000 0.193 280 K C 0.756 177.331 176.600 -0.041 0.000 1.024 280 K CA 0.302 56.578 56.287 -0.020 0.000 1.077 280 K CB -0.942 31.547 32.500 -0.018 0.000 0.833 280 K HN 1.110 nan 8.250 nan 0.000 0.517 281 c N 0.850 119.416 118.600 -0.057 0.000 2.817 281 c HA 0.613 5.184 4.570 0.001 0.000 0.385 281 c C -1.854 172.162 174.090 -0.123 0.000 1.050 281 c CA -0.820 55.452 56.329 -0.095 0.000 1.245 281 c CB 0.689 43.141 42.510 -0.097 0.000 1.706 281 c HN 0.606 nan 8.230 nan 0.000 0.488 282 Q N 2.987 122.678 119.800 -0.183 0.000 2.306 282 Q HA 0.838 5.179 4.340 0.001 0.000 0.265 282 Q C -0.474 175.397 176.000 -0.215 0.000 1.022 282 Q CA 0.185 55.860 55.803 -0.214 0.000 0.853 282 Q CB 2.024 30.539 28.738 -0.372 0.000 1.327 282 Q HN 0.809 nan 8.270 nan 0.000 0.449 283 T N 4.871 119.327 114.554 -0.164 0.000 2.893 283 T HA 0.354 4.705 4.350 0.001 0.000 0.293 283 T C -2.161 172.428 174.700 -0.184 0.000 1.027 283 T CA -1.477 60.522 62.100 -0.169 0.000 0.988 283 T CB 1.592 70.373 68.868 -0.145 0.000 1.043 283 T HN 0.446 nan 8.240 nan 0.000 0.461 284 P HA -0.054 nan 4.420 nan 0.000 0.219 284 P C 1.078 178.261 177.300 -0.195 0.000 1.144 284 P CA 1.370 64.301 63.100 -0.281 0.000 0.806 284 P CB 0.069 31.447 31.700 -0.538 0.000 0.771 285 M N -2.987 116.492 119.600 -0.201 0.000 2.534 285 M HA 0.272 4.752 4.480 0.001 0.000 0.263 285 M C 0.915 177.279 176.300 0.107 0.000 1.152 285 M CA 0.514 55.767 55.300 -0.079 0.000 1.145 285 M CB 0.530 33.006 32.600 -0.206 0.000 1.333 285 M HN -0.086 nan 8.290 nan 0.000 0.477 286 G N -0.104 108.747 108.800 0.084 0.000 2.316 286 G HA2 0.529 4.489 3.960 0.001 0.000 0.296 286 G HA3 0.529 4.489 3.960 0.001 0.000 0.296 286 G C -2.039 172.918 174.900 0.095 0.000 1.399 286 G CA -0.537 44.694 45.100 0.218 0.000 0.833 286 G HN 0.214 nan 8.290 nan 0.000 0.565 287 A N -0.658 122.207 122.820 0.074 0.000 2.286 287 A HA 0.839 5.160 4.320 0.001 0.000 0.286 287 A C -0.084 177.519 177.584 0.031 0.000 1.097 287 A CA -0.366 51.681 52.037 0.017 0.000 0.821 287 A CB 0.414 19.418 19.000 0.007 0.000 1.076 287 A HN 0.838 nan 8.150 nan 0.000 0.490 288 I N 1.737 122.297 120.570 -0.017 0.000 2.433 288 I HA 0.299 4.470 4.170 0.001 0.000 0.292 288 I C -0.771 175.336 176.117 -0.017 0.000 1.001 288 I CA -0.729 60.562 61.300 -0.014 0.000 1.119 288 I CB 1.984 39.936 38.000 -0.080 0.000 1.289 288 I HN 0.772 nan 8.210 nan 0.000 0.438 289 N N 4.827 123.527 118.700 -0.000 0.000 2.623 289 N HA 0.415 5.155 4.740 0.001 0.000 0.256 289 N C -1.097 174.416 175.510 0.005 0.000 1.045 289 N CA -0.502 52.546 53.050 -0.003 0.000 0.863 289 N CB 1.669 40.154 38.487 -0.004 0.000 1.182 289 N HN 0.640 nan 8.380 nan 0.000 0.523 290 S N 0.339 116.040 115.700 0.003 0.000 2.638 290 S HA 0.510 4.980 4.470 0.001 0.000 0.274 290 S C -0.137 174.463 174.600 -0.000 0.000 1.157 290 S CA -0.658 57.547 58.200 0.009 0.000 0.826 290 S CB 1.113 64.329 63.200 0.026 0.000 1.139 290 S HN 0.184 nan 8.310 nan 0.000 0.474 291 S N 0.488 116.188 115.700 -0.001 0.000 2.556 291 S HA 0.303 4.773 4.470 0.001 0.000 0.216 291 S C 0.511 175.099 174.600 -0.019 0.000 0.970 291 S CA -0.260 57.933 58.200 -0.012 0.000 0.912 291 S CB -0.440 62.754 63.200 -0.011 0.000 0.790 291 S HN 0.617 nan 8.310 nan 0.000 0.504 292 M N 2.827 122.425 119.600 -0.004 0.000 2.243 292 M HA 0.152 4.633 4.480 0.001 0.000 0.341 292 M C -1.399 174.865 176.300 -0.060 0.000 1.130 292 M CA -1.793 53.502 55.300 -0.009 0.000 1.162 292 M CB 0.552 33.176 32.600 0.040 0.000 1.497 292 M HN -0.094 nan 8.290 nan 0.000 0.456 293 P HA -0.022 nan 4.420 nan 0.000 0.222 293 P C -0.374 176.583 177.300 -0.572 0.000 1.153 293 P CA 1.313 64.160 63.100 -0.423 0.000 0.798 293 P CB 0.181 31.508 31.700 -0.622 0.000 0.796 294 F N 0.010 119.983 119.950 0.038 0.000 2.579 294 F HA 0.442 4.969 4.527 0.001 0.000 0.324 294 F C 1.164 177.020 175.800 0.093 0.000 1.058 294 F CA -1.041 56.971 58.000 0.021 0.000 0.944 294 F CB 1.379 40.348 39.000 -0.052 0.000 1.245 294 F HN -0.084 nan 8.300 nan 0.000 0.477 295 H N 0.073 119.269 119.070 0.211 0.000 2.894 295 H HA 0.422 4.979 4.556 0.001 0.000 0.368 295 H C -1.357 173.998 175.328 0.044 0.000 1.181 295 H CA -1.124 55.002 56.048 0.131 0.000 1.146 295 H CB 1.744 31.589 29.762 0.138 0.000 1.839 295 H HN 0.613 nan 8.280 nan 0.000 0.557 296 N N 1.055 119.781 118.700 0.044 0.000 2.291 296 N HA 0.058 4.798 4.740 0.001 0.000 0.244 296 N C 0.286 175.941 175.510 0.242 0.000 1.216 296 N CA -0.310 52.685 53.050 -0.092 0.000 0.879 296 N CB 0.249 38.655 38.487 -0.136 0.000 1.167 296 N HN 0.340 nan 8.380 nan 0.000 0.515 297 I N 0.250 121.092 120.570 0.453 0.000 2.162 297 I HA 0.037 4.207 4.170 0.001 0.000 0.238 297 I C 0.629 176.948 176.117 0.336 0.000 1.076 297 I CA 1.309 62.789 61.300 0.300 0.000 1.353 297 I CB -1.178 36.918 38.000 0.160 0.000 1.063 297 I HN 0.388 nan 8.210 nan 0.000 0.408 298 H N 0.350 119.570 119.070 0.249 0.000 3.140 298 H HA 0.134 4.690 4.556 0.001 0.000 0.336 298 H C -2.310 172.729 175.328 -0.482 0.000 1.142 298 H CA -0.823 55.138 56.048 -0.144 0.000 1.308 298 H CB 2.658 32.355 29.762 -0.108 0.000 1.970 298 H HN -0.217 nan 8.280 nan 0.000 0.521 299 P HA -0.030 nan 4.420 nan 0.000 0.218 299 P C 0.514 177.676 177.300 -0.229 0.000 1.149 299 P CA 0.672 63.194 63.100 -0.964 0.000 0.817 299 P CB 0.775 31.962 31.700 -0.855 0.000 0.785 300 L N 1.240 122.480 121.223 0.028 0.000 2.312 300 L HA 0.252 4.593 4.340 0.001 0.000 0.287 300 L C 0.908 177.807 176.870 0.048 0.000 1.091 300 L CA -0.227 54.659 54.840 0.077 0.000 0.846 300 L CB 0.205 42.339 42.059 0.125 0.000 1.219 300 L HN 0.054 nan 8.230 nan 0.000 0.439 301 T N 1.107 115.663 114.554 0.005 0.000 2.907 301 T HA 0.778 5.128 4.350 0.001 0.000 0.290 301 T C -0.623 174.024 174.700 -0.089 0.000 1.066 301 T CA -0.759 61.309 62.100 -0.053 0.000 1.012 301 T CB 2.703 71.553 68.868 -0.029 0.000 1.184 301 T HN 0.391 nan 8.240 nan 0.000 0.522 302 I N -0.124 120.353 120.570 -0.155 0.000 2.722 302 I HA 0.621 4.792 4.170 0.001 0.000 0.295 302 I C 0.121 176.154 176.117 -0.139 0.000 1.161 302 I CA 0.286 61.498 61.300 -0.147 0.000 1.032 302 I CB 1.412 39.292 38.000 -0.200 0.000 1.244 302 I HN 1.412 nan 8.210 nan 0.000 0.421 303 G N 5.103 113.853 108.800 -0.083 0.000 2.466 303 G HA2 -0.135 3.825 3.960 0.001 0.000 0.316 303 G HA3 -0.135 3.825 3.960 0.001 0.000 0.316 303 G C -1.005 173.870 174.900 -0.042 0.000 1.270 303 G CA -0.378 44.685 45.100 -0.061 0.000 0.982 303 G HN 0.832 nan 8.290 nan 0.000 0.506 304 E N -0.097 120.082 120.200 -0.035 0.000 2.001 304 E HA 0.505 4.856 4.350 0.001 0.000 0.279 304 E C -0.148 176.435 176.600 -0.030 0.000 1.045 304 E CA -0.512 55.873 56.400 -0.026 0.000 0.833 304 E CB -0.094 29.593 29.700 -0.022 0.000 1.077 304 E HN 0.634 nan 8.360 nan 0.000 0.397 305 c N 4.480 123.069 118.600 -0.018 0.000 2.595 305 c HA 0.590 5.160 4.570 0.001 0.000 0.338 305 c C -2.010 172.101 174.090 0.035 0.000 1.219 305 c CA -1.405 54.913 56.329 -0.018 0.000 1.811 305 c CB 1.089 43.584 42.510 -0.027 0.000 2.313 305 c HN 0.708 nan 8.230 nan 0.000 0.499 306 P HA 0.199 nan 4.420 nan 0.000 0.275 306 P C -0.949 176.518 177.300 0.278 0.000 1.270 306 P CA -0.264 62.925 63.100 0.149 0.000 0.791 306 P CB 0.364 32.205 31.700 0.235 0.000 1.089 307 K N 0.377 120.884 120.400 0.178 0.000 2.172 307 K HA 0.204 4.524 4.320 0.001 0.000 0.276 307 K C -0.393 176.303 176.600 0.160 0.000 1.013 307 K CA -0.461 55.951 56.287 0.209 0.000 0.913 307 K CB 0.440 33.050 32.500 0.184 0.000 1.055 307 K HN 0.459 nan 8.250 nan 0.000 0.461 308 Y N 2.273 122.509 120.300 -0.108 0.000 2.359 308 Y HA 0.184 4.735 4.550 0.001 0.000 0.330 308 Y C -0.398 175.386 175.900 -0.194 0.000 1.143 308 Y CA 0.029 57.873 58.100 -0.426 0.000 1.318 308 Y CB 0.709 38.995 38.460 -0.290 0.000 1.234 308 Y HN 0.246 nan 8.280 nan 0.000 0.522 309 V N 6.689 126.003 119.914 -0.999 0.000 3.078 309 V HA 0.259 4.380 4.120 0.001 0.000 0.311 309 V C 0.040 175.518 176.094 -1.028 0.000 1.138 309 V CA -1.132 60.689 62.300 -0.798 0.000 1.007 309 V CB 2.457 33.931 31.823 -0.582 0.000 1.045 309 V HN 0.785 nan 8.190 nan 0.000 0.432 310 K N 0.540 120.583 120.400 -0.594 0.000 2.404 310 K HA 0.191 4.512 4.320 0.001 0.000 0.194 310 K C 0.461 176.910 176.600 -0.252 0.000 1.023 310 K CA 0.035 56.099 56.287 -0.372 0.000 1.094 310 K CB 0.327 32.719 32.500 -0.180 0.000 0.841 310 K HN 0.655 nan 8.250 nan 0.000 0.523 311 S N 1.754 117.289 115.700 -0.276 0.000 2.572 311 S HA 0.092 4.562 4.470 0.001 0.000 0.279 311 S C 0.790 175.307 174.600 -0.139 0.000 1.341 311 S CA -0.595 57.489 58.200 -0.193 0.000 1.043 311 S CB 0.808 63.876 63.200 -0.219 0.000 0.887 311 S HN 0.227 nan 8.310 nan 0.000 0.516 312 N N 1.724 120.370 118.700 -0.090 0.000 2.250 312 N HA -0.009 4.732 4.740 0.001 0.000 0.181 312 N C 0.811 176.295 175.510 -0.044 0.000 1.017 312 N CA 0.783 53.801 53.050 -0.052 0.000 0.866 312 N CB -0.126 38.340 38.487 -0.034 0.000 0.985 312 N HN 0.744 nan 8.380 nan 0.000 0.429 313 R N 0.720 121.186 120.500 -0.056 0.000 2.532 313 R HA 0.667 5.008 4.340 0.001 0.000 0.297 313 R C -1.371 174.891 176.300 -0.063 0.000 0.984 313 R CA -0.489 55.586 56.100 -0.042 0.000 0.884 313 R CB 0.419 30.703 30.300 -0.026 0.000 1.182 313 R HN 0.096 nan 8.270 nan 0.000 0.442 314 L N 3.111 124.306 121.223 -0.046 0.000 2.442 314 L HA 0.539 4.880 4.340 0.001 0.000 0.261 314 L C -1.232 175.644 176.870 0.009 0.000 1.000 314 L CA -1.093 53.719 54.840 -0.046 0.000 0.882 314 L CB 2.076 44.084 42.059 -0.085 0.000 1.207 314 L HN 0.511 nan 8.230 nan 0.000 0.443 315 V N 4.549 124.467 119.914 0.007 0.000 2.407 315 V HA 0.380 4.501 4.120 0.001 0.000 0.291 315 V C 0.211 176.320 176.094 0.026 0.000 1.018 315 V CA -0.478 61.837 62.300 0.025 0.000 0.842 315 V CB 2.278 34.113 31.823 0.020 0.000 0.996 315 V HN 0.527 nan 8.190 nan 0.000 0.426 316 L N 4.097 125.344 121.223 0.039 0.000 2.380 316 L HA 0.589 4.929 4.340 0.001 0.000 0.273 316 L C 0.945 177.837 176.870 0.037 0.000 1.138 316 L CA 0.077 54.939 54.840 0.037 0.000 0.832 316 L CB 1.235 43.321 42.059 0.045 0.000 1.124 316 L HN 0.804 nan 8.230 nan 0.000 0.454 317 A N 1.967 124.806 122.820 0.032 0.000 2.351 317 A HA 0.489 4.809 4.320 0.001 0.000 0.257 317 A C 0.712 178.322 177.584 0.043 0.000 1.087 317 A CA 0.322 52.382 52.037 0.039 0.000 0.798 317 A CB 0.573 19.591 19.000 0.029 0.000 1.033 317 A HN 0.894 nan 8.150 nan 0.000 0.488 318 T N -0.679 113.912 114.554 0.062 0.000 3.408 318 T HA 0.385 4.735 4.350 0.001 0.000 0.273 318 T C 1.104 175.845 174.700 0.068 0.000 0.983 318 T CA 0.713 62.843 62.100 0.051 0.000 1.087 318 T CB -0.688 68.205 68.868 0.043 0.000 1.170 318 T HN 1.133 nan 8.240 nan 0.000 0.456 319 G N 2.024 110.914 108.800 0.151 0.000 2.509 319 G HA2 0.580 4.541 3.960 0.001 0.000 0.269 319 G HA3 0.580 4.541 3.960 0.001 0.000 0.269 319 G C -0.639 174.338 174.900 0.128 0.000 1.416 319 G CA -0.701 44.523 45.100 0.207 0.000 1.052 319 G HN 0.295 nan 8.290 nan 0.000 0.542 320 L N -0.698 120.609 121.223 0.140 0.000 2.469 320 L HA 0.419 4.760 4.340 0.001 0.000 0.253 320 L C 1.245 178.146 176.870 0.051 0.000 1.143 320 L CA -0.771 54.108 54.840 0.067 0.000 0.804 320 L CB 0.632 42.739 42.059 0.079 0.000 1.214 320 L HN 0.558 nan 8.230 nan 0.000 0.476 321 R N 1.514 122.018 120.500 0.006 0.000 2.421 321 R HA 0.019 4.360 4.340 0.001 0.000 0.305 321 R C -0.343 175.998 176.300 0.069 0.000 1.039 321 R CA -0.248 55.862 56.100 0.017 0.000 1.003 321 R CB 0.009 30.300 30.300 -0.015 0.000 0.959 321 R HN 0.583 nan 8.270 nan 0.000 0.427 322 N N 1.820 120.553 118.700 0.057 0.000 2.514 322 N HA 0.026 4.766 4.740 0.001 0.000 0.277 322 N C -1.189 174.359 175.510 0.063 0.000 1.126 322 N CA 0.008 53.093 53.050 0.059 0.000 0.978 322 N CB 1.356 39.849 38.487 0.009 0.000 1.106 322 N HN 0.459 nan 8.380 nan 0.000 0.461 323 S N 4.392 120.132 115.700 0.067 0.000 2.488 323 S HA 0.207 4.678 4.470 0.001 0.000 0.278 323 S C -1.675 172.921 174.600 -0.006 0.000 1.259 323 S CA -0.924 57.296 58.200 0.034 0.000 1.061 323 S CB 0.267 63.461 63.200 -0.011 0.000 0.910 323 S HN 0.568 nan 8.310 nan 0.000 0.491 324 P HA 0.000 nan 4.420 nan 0.000 0.216 324 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 324 P CB 0.000 31.697 31.700 -0.005 0.000 0.726