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 1h36_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.525 177.584 -0.098 0.000 1.274 10 A CA 0.000 51.932 52.037 -0.176 0.000 0.836 10 A CB 0.000 18.923 19.000 -0.129 0.000 0.831 11 Y N 0.669 121.037 120.300 0.113 0.000 2.509 11 Y HA 0.492 5.042 4.550 0.001 0.000 0.293 11 Y C 2.282 178.250 175.900 0.114 0.000 1.133 11 Y CA 0.757 58.938 58.100 0.135 0.000 1.283 11 Y CB -1.367 37.214 38.460 0.201 0.000 1.001 11 Y HN 0.423 nan 8.280 nan 0.000 0.555 12 A N 2.165 125.043 122.820 0.095 0.000 1.849 12 A HA -0.288 4.033 4.320 0.001 0.000 0.217 12 A C 2.376 180.035 177.584 0.125 0.000 1.202 12 A CA 2.435 54.565 52.037 0.154 0.000 0.629 12 A CB -0.920 18.076 19.000 -0.007 0.000 0.834 12 A HN 0.500 nan 8.150 nan 0.000 0.447 13 R N -1.059 119.474 120.500 0.055 0.000 2.133 13 R HA -0.138 4.202 4.340 0.001 0.000 0.247 13 R C 2.292 178.624 176.300 0.054 0.000 1.151 13 R CA 1.895 58.018 56.100 0.038 0.000 0.971 13 R CB -0.921 29.384 30.300 0.007 0.000 0.866 13 R HN 0.640 nan 8.270 nan 0.000 0.447 14 T N 1.477 116.091 114.554 0.100 0.000 2.674 14 T HA -0.126 4.224 4.350 0.001 0.000 0.265 14 T C 1.914 176.697 174.700 0.138 0.000 1.039 14 T CA 1.082 63.249 62.100 0.112 0.000 1.150 14 T CB -0.210 68.790 68.868 0.221 0.000 0.864 14 T HN 0.127 nan 8.240 nan 0.000 0.427 15 L N 1.038 122.380 121.223 0.197 0.000 1.970 15 L HA -0.167 4.174 4.340 0.001 0.000 0.212 15 L C 2.648 179.589 176.870 0.118 0.000 1.071 15 L CA 1.526 56.474 54.840 0.179 0.000 0.751 15 L CB -0.639 41.533 42.059 0.190 0.000 0.889 15 L HN 0.261 nan 8.230 nan 0.000 0.432 16 D N -0.342 120.116 120.400 0.097 0.000 2.158 16 D HA -0.216 4.425 4.640 0.001 0.000 0.197 16 D C 2.284 178.614 176.300 0.049 0.000 0.995 16 D CA 1.360 55.400 54.000 0.067 0.000 0.846 16 D CB -0.133 40.699 40.800 0.053 0.000 0.941 16 D HN 0.352 nan 8.370 nan 0.000 0.456 17 R N 0.461 120.978 120.500 0.028 0.000 2.090 17 R HA 0.040 4.381 4.340 0.001 0.000 0.228 17 R C 2.382 178.687 176.300 0.008 0.000 1.110 17 R CA 0.928 57.022 56.100 -0.010 0.000 0.973 17 R CB -0.153 30.101 30.300 -0.076 0.000 0.869 17 R HN 0.075 nan 8.270 nan 0.000 0.440 18 A N 0.753 123.594 122.820 0.034 0.000 1.902 18 A HA -0.102 4.219 4.320 0.001 0.000 0.217 18 A C 2.310 179.986 177.584 0.152 0.000 1.181 18 A CA 1.253 53.361 52.037 0.119 0.000 0.623 18 A CB -0.475 18.681 19.000 0.260 0.000 0.818 18 A HN 0.085 nan 8.150 nan 0.000 0.443 19 V N 1.310 121.284 119.914 0.100 0.000 2.223 19 V HA -0.329 3.791 4.120 0.001 0.000 0.244 19 V C 2.582 178.712 176.094 0.061 0.000 1.045 19 V CA 2.391 64.727 62.300 0.060 0.000 1.000 19 V CB -1.213 30.637 31.823 0.045 0.000 0.635 19 V HN 0.914 nan 8.190 nan 0.000 0.445 20 E N -0.273 119.967 120.200 0.066 0.000 2.219 20 E HA -0.332 4.018 4.350 0.001 0.000 0.198 20 E C 2.156 178.803 176.600 0.078 0.000 0.998 20 E CA 2.141 58.577 56.400 0.060 0.000 0.818 20 E CB -0.608 29.123 29.700 0.052 0.000 0.741 20 E HN 0.704 nan 8.360 nan 0.000 0.477 21 Y N 1.727 122.008 120.300 -0.031 0.000 2.153 21 Y HA -0.068 4.483 4.550 0.001 0.000 0.289 21 Y C 2.076 177.961 175.900 -0.026 0.000 1.127 21 Y CA 1.397 59.463 58.100 -0.058 0.000 1.131 21 Y CB -0.334 38.063 38.460 -0.105 0.000 0.995 21 Y HN -0.040 nan 8.280 nan 0.000 0.505 22 L N -0.303 120.866 121.223 -0.090 0.000 2.043 22 L HA -0.286 4.054 4.340 0.001 0.000 0.212 22 L C 2.465 179.406 176.870 0.119 0.000 1.075 22 L CA 1.476 56.245 54.840 -0.119 0.000 0.752 22 L CB -0.742 41.230 42.059 -0.144 0.000 0.891 22 L HN 0.300 nan 8.230 nan 0.000 0.432 23 L N -0.445 120.828 121.223 0.083 0.000 2.265 23 L HA -0.170 4.171 4.340 0.001 0.000 0.215 23 L C 2.690 179.546 176.870 -0.024 0.000 1.117 23 L CA 1.332 56.229 54.840 0.096 0.000 0.782 23 L CB -0.462 41.615 42.059 0.031 0.000 0.914 23 L HN 0.410 nan 8.230 nan 0.000 0.441 24 S N -2.323 113.324 115.700 -0.090 0.000 2.496 24 S HA -0.083 4.387 4.470 0.001 0.000 0.224 24 S C 1.873 176.352 174.600 -0.202 0.000 0.996 24 S CA 0.310 58.425 58.200 -0.141 0.000 0.927 24 S CB -0.490 62.637 63.200 -0.122 0.000 0.774 24 S HN 0.407 nan 8.310 nan 0.000 0.524 25 C N 1.315 120.490 119.300 -0.208 0.000 2.485 25 C HA 0.241 4.701 4.460 0.001 0.000 0.278 25 C C 1.490 176.324 174.990 -0.260 0.000 1.356 25 C CA -0.446 58.463 59.018 -0.182 0.000 1.747 25 C CB -1.322 26.349 27.740 -0.115 0.000 2.001 25 C HN 0.731 nan 8.230 nan 0.000 0.501 26 Q N 1.806 121.339 119.800 -0.445 0.000 2.304 26 Q HA 0.006 4.347 4.340 0.001 0.000 0.301 26 Q C -0.234 175.313 176.000 -0.754 0.000 1.063 26 Q CA 0.760 55.873 55.803 -1.149 0.000 0.947 26 Q CB 0.582 28.552 28.738 -1.279 0.000 1.201 26 Q HN 0.346 nan 8.270 nan 0.000 0.389 27 K N 2.598 122.465 120.400 -0.890 0.000 2.117 27 K HA 0.075 4.396 4.320 0.001 0.000 0.240 27 K C 0.290 176.529 176.600 -0.602 0.000 1.031 27 K CA -0.018 55.838 56.287 -0.718 0.000 0.909 27 K CB 0.458 32.355 32.500 -1.004 0.000 1.097 27 K HN 0.598 nan 8.250 nan 0.000 0.492 28 D N 0.703 120.852 120.400 -0.418 0.000 2.097 28 D HA -0.139 4.502 4.640 0.001 0.000 0.195 28 D C 1.172 177.306 176.300 -0.276 0.000 0.989 28 D CA 1.365 55.195 54.000 -0.284 0.000 0.827 28 D CB 0.013 40.705 40.800 -0.181 0.000 0.966 28 D HN 0.492 nan 8.370 nan 0.000 0.456 29 E N -0.378 119.649 120.200 -0.289 0.000 2.273 29 E HA 0.013 4.363 4.350 0.001 0.000 0.198 29 E C 1.475 177.941 176.600 -0.224 0.000 1.002 29 E CA 1.278 57.595 56.400 -0.138 0.000 0.828 29 E CB -0.301 29.444 29.700 0.075 0.000 0.747 29 E HN 0.373 nan 8.360 nan 0.000 0.491 30 G N -0.930 107.571 108.800 -0.498 0.000 2.135 30 G HA2 -0.215 3.746 3.960 0.001 0.000 0.183 30 G HA3 -0.215 3.746 3.960 0.001 0.000 0.183 30 G C -0.314 174.167 174.900 -0.698 0.000 1.004 30 G CA -0.063 44.734 45.100 -0.504 0.000 0.677 30 G HN 0.299 nan 8.290 nan 0.000 0.512 31 Y N -2.144 117.595 120.300 -0.934 0.000 2.633 31 Y HA 0.892 5.442 4.550 0.001 0.000 0.339 31 Y C -0.302 175.129 175.900 -0.782 0.000 1.045 31 Y CA -3.091 54.416 58.100 -0.988 0.000 1.098 31 Y CB 1.111 38.549 38.460 -1.704 0.000 1.296 31 Y HN 0.074 nan 8.280 nan 0.000 0.494 32 W N 1.214 122.467 121.300 -0.078 0.000 2.627 32 W HA 0.383 5.044 4.660 0.001 0.000 0.339 32 W C -1.745 174.922 176.519 0.245 0.000 1.058 32 W CA -0.844 56.496 57.345 -0.008 0.000 1.223 32 W CB 2.084 31.501 29.460 -0.071 0.000 1.389 32 W HN 0.774 nan 8.180 nan 0.000 0.541 33 W N 2.559 123.975 121.300 0.193 0.000 2.725 33 W HA 0.453 5.114 4.660 0.001 0.000 0.305 33 W C -0.941 175.608 176.519 0.049 0.000 1.045 33 W CA -1.322 56.084 57.345 0.102 0.000 1.202 33 W CB 0.454 30.019 29.460 0.176 0.000 1.083 33 W HN 0.369 nan 8.180 nan 0.000 0.343 34 G N 4.664 113.534 108.800 0.117 0.000 2.367 34 G HA2 0.632 4.593 3.960 0.001 0.000 0.314 34 G HA3 0.632 4.593 3.960 0.001 0.000 0.314 34 G C -2.712 172.056 174.900 -0.221 0.000 1.130 34 G CA -1.428 43.634 45.100 -0.063 0.000 0.864 34 G HN 0.110 nan 8.290 nan 0.000 0.486 35 P HA 0.107 nan 4.420 nan 0.000 0.268 35 P C -0.510 176.648 177.300 -0.236 0.000 1.208 35 P CA -0.328 62.569 63.100 -0.337 0.000 0.777 35 P CB 0.802 32.318 31.700 -0.307 0.000 0.875 36 L N 3.914 124.996 121.223 -0.234 0.000 2.298 36 L HA 0.329 4.670 4.340 0.001 0.000 0.284 36 L C -1.098 175.635 176.870 -0.229 0.000 1.013 36 L CA -0.339 54.334 54.840 -0.278 0.000 0.824 36 L CB 0.346 42.264 42.059 -0.236 0.000 1.221 36 L HN 0.108 nan 8.230 nan 0.000 0.418 37 L N 4.069 125.123 121.223 -0.280 0.000 2.357 37 L HA 0.652 4.993 4.340 0.001 0.000 0.273 37 L C 0.792 177.494 176.870 -0.280 0.000 1.080 37 L CA 0.085 54.811 54.840 -0.191 0.000 0.803 37 L CB 1.058 43.073 42.059 -0.074 0.000 1.174 37 L HN 0.925 nan 8.230 nan 0.000 0.443 38 S N 1.595 117.273 115.700 -0.036 0.000 3.896 38 S HA 0.513 4.984 4.470 0.001 0.000 0.190 38 S C -0.410 174.300 174.600 0.182 0.000 1.171 38 S CA -0.316 57.845 58.200 -0.065 0.000 1.368 38 S CB 1.299 64.456 63.200 -0.072 0.000 1.688 38 S HN 0.688 nan 8.310 nan 0.000 0.791 39 N N -0.326 118.476 118.700 0.169 0.000 2.610 39 N HA 0.431 5.172 4.740 0.001 0.000 0.264 39 N C 0.400 176.021 175.510 0.184 0.000 1.348 39 N CA -0.421 52.753 53.050 0.205 0.000 0.819 39 N CB 1.373 39.982 38.487 0.203 0.000 1.521 39 N HN 0.826 nan 8.380 nan 0.000 0.497 40 V N -2.776 117.209 119.914 0.119 0.000 3.140 40 V HA -0.181 3.939 4.120 0.001 0.000 0.269 40 V C 1.730 177.799 176.094 -0.041 0.000 1.149 40 V CA 1.953 64.282 62.300 0.049 0.000 1.162 40 V CB -2.060 29.613 31.823 -0.251 0.000 0.756 40 V HN 0.923 nan 8.190 nan 0.000 0.523 41 T N -2.800 111.734 114.554 -0.033 0.000 2.881 41 T HA -0.170 4.181 4.350 0.001 0.000 0.270 41 T C 1.827 176.412 174.700 -0.191 0.000 1.068 41 T CA 1.688 63.711 62.100 -0.129 0.000 1.131 41 T CB -0.388 68.427 68.868 -0.088 0.000 0.871 41 T HN 0.374 nan 8.240 nan 0.000 0.479 42 M N 1.514 121.058 119.600 -0.093 0.000 2.066 42 M HA -0.014 4.467 4.480 0.001 0.000 0.259 42 M C 2.335 178.550 176.300 -0.142 0.000 1.074 42 M CA 1.850 57.045 55.300 -0.174 0.000 1.114 42 M CB -1.302 31.294 32.600 -0.007 0.000 1.306 42 M HN 0.274 nan 8.290 nan 0.000 0.411 43 E N 0.854 121.053 120.200 -0.002 0.000 2.085 43 E HA -0.084 4.266 4.350 0.001 0.000 0.194 43 E C 2.130 178.776 176.600 0.076 0.000 0.994 43 E CA 1.657 58.115 56.400 0.095 0.000 0.801 43 E CB -0.662 29.134 29.700 0.159 0.000 0.743 43 E HN 0.530 nan 8.360 nan 0.000 0.453 44 A N 1.133 123.922 122.820 -0.050 0.000 1.865 44 A HA -0.286 4.035 4.320 0.001 0.000 0.217 44 A C 2.049 179.490 177.584 -0.239 0.000 1.191 44 A CA 1.932 53.885 52.037 -0.141 0.000 0.623 44 A CB -0.632 18.232 19.000 -0.227 0.000 0.826 44 A HN 0.253 nan 8.150 nan 0.000 0.444 45 E N -1.883 118.064 120.200 -0.421 0.000 2.153 45 E HA -0.198 4.153 4.350 0.001 0.000 0.194 45 E C 1.820 178.212 176.600 -0.346 0.000 0.988 45 E CA 1.282 57.203 56.400 -0.799 0.000 0.811 45 E CB -0.300 28.676 29.700 -1.208 0.000 0.746 45 E HN 0.794 nan 8.360 nan 0.000 0.466 46 Y N 1.149 121.370 120.300 -0.131 0.000 2.165 46 Y HA -0.261 4.290 4.550 0.001 0.000 0.286 46 Y C 2.034 177.922 175.900 -0.020 0.000 1.155 46 Y CA 1.173 59.325 58.100 0.086 0.000 1.164 46 Y CB -0.189 38.331 38.460 0.101 0.000 0.978 46 Y HN -0.176 nan 8.280 nan 0.000 0.513 47 V N 0.531 120.515 119.914 0.116 0.000 2.343 47 V HA -0.336 3.785 4.120 0.001 0.000 0.247 47 V C 2.464 178.443 176.094 -0.191 0.000 1.051 47 V CA 2.099 64.392 62.300 -0.010 0.000 1.036 47 V CB -0.818 30.992 31.823 -0.021 0.000 0.654 47 V HN 0.453 nan 8.190 nan 0.000 0.451 48 L N -0.788 120.330 121.223 -0.175 0.000 2.093 48 L HA -0.165 4.176 4.340 0.001 0.000 0.208 48 L C 2.461 179.393 176.870 0.103 0.000 1.085 48 L CA 1.108 55.914 54.840 -0.056 0.000 0.755 48 L CB -0.580 41.521 42.059 0.070 0.000 0.904 48 L HN 0.351 nan 8.230 nan 0.000 0.435 49 L N -0.297 120.976 121.223 0.083 0.000 2.012 49 L HA -0.236 4.104 4.340 0.001 0.000 0.210 49 L C 2.561 179.348 176.870 -0.138 0.000 1.073 49 L CA 1.840 56.703 54.840 0.038 0.000 0.748 49 L CB -0.739 41.225 42.059 -0.158 0.000 0.891 49 L HN 0.238 nan 8.230 nan 0.000 0.431 50 C N -0.650 118.515 119.300 -0.225 0.000 2.413 50 C HA -0.196 4.264 4.460 0.001 0.000 0.276 50 C C 2.714 177.644 174.990 -0.100 0.000 1.248 50 C CA 1.053 59.976 59.018 -0.157 0.000 1.742 50 C CB -1.472 26.194 27.740 -0.124 0.000 2.017 50 C HN 0.812 nan 8.230 nan 0.000 0.481 51 H N 1.061 120.026 119.070 -0.175 0.000 2.353 51 H HA -0.089 4.467 4.556 0.001 0.000 0.300 51 H C 1.945 177.190 175.328 -0.139 0.000 1.090 51 H CA 1.853 57.830 56.048 -0.119 0.000 1.327 51 H CB -0.249 29.373 29.762 -0.232 0.000 1.383 51 H HN 0.269 nan 8.280 nan 0.000 0.508 52 I N 0.511 120.873 120.570 -0.347 0.000 2.142 52 I HA -0.224 3.946 4.170 0.001 0.000 0.240 52 I C 2.169 177.902 176.117 -0.639 0.000 1.078 52 I CA 1.134 62.035 61.300 -0.665 0.000 1.343 52 I CB -1.148 36.572 38.000 -0.467 0.000 1.046 52 I HN 0.338 nan 8.210 nan 0.000 0.405 53 L N 0.422 121.411 121.223 -0.389 0.000 2.610 53 L HA -0.056 4.284 4.340 0.001 0.000 0.232 53 L C 0.289 176.970 176.870 -0.316 0.000 1.149 53 L CA 0.236 54.880 54.840 -0.327 0.000 0.872 53 L CB -0.818 41.051 42.059 -0.317 0.000 0.992 53 L HN 0.309 nan 8.230 nan 0.000 0.447 54 D N 1.661 121.889 120.400 -0.287 0.000 2.689 54 D HA -0.231 4.409 4.640 0.001 0.000 0.237 54 D C 0.222 176.429 176.300 -0.154 0.000 1.148 54 D CA 0.688 54.577 54.000 -0.185 0.000 0.656 54 D CB -0.307 40.395 40.800 -0.165 0.000 1.050 54 D HN 0.360 nan 8.370 nan 0.000 0.426 55 R N 0.048 120.455 120.500 -0.155 0.000 2.653 55 R HA 0.320 4.660 4.340 0.001 0.000 0.269 55 R C -0.807 175.510 176.300 0.029 0.000 1.603 55 R CA -0.686 55.345 56.100 -0.116 0.000 1.671 55 R CB 1.264 31.353 30.300 -0.351 0.000 1.300 55 R HN -0.021 nan 8.270 nan 0.000 0.668 56 V N 1.209 121.160 119.914 0.061 0.000 2.432 56 V HA 0.120 4.240 4.120 0.001 0.000 0.275 56 V C 0.010 176.163 176.094 0.099 0.000 1.043 56 V CA -0.387 61.981 62.300 0.113 0.000 0.925 56 V CB 1.586 33.516 31.823 0.179 0.000 0.985 56 V HN 0.353 nan 8.190 nan 0.000 0.466 57 D N 4.299 124.756 120.400 0.096 0.000 2.460 57 D HA 0.308 4.948 4.640 0.001 0.000 0.232 57 D C 1.277 177.605 176.300 0.047 0.000 1.079 57 D CA -0.566 53.472 54.000 0.062 0.000 0.864 57 D CB 0.808 41.634 40.800 0.044 0.000 1.048 57 D HN 0.241 nan 8.370 nan 0.000 0.523 58 R N 2.458 122.987 120.500 0.048 0.000 2.159 58 R HA -0.208 4.133 4.340 0.001 0.000 0.252 58 R C 1.343 177.660 176.300 0.029 0.000 1.144 58 R CA 1.452 57.578 56.100 0.043 0.000 0.961 58 R CB -0.584 29.736 30.300 0.034 0.000 0.877 58 R HN 0.662 nan 8.270 nan 0.000 0.444 59 D N 0.205 120.613 120.400 0.012 0.000 2.104 59 D HA -0.200 4.440 4.640 0.001 0.000 0.194 59 D C 1.936 178.218 176.300 -0.030 0.000 0.994 59 D CA 1.326 55.324 54.000 -0.003 0.000 0.830 59 D CB 0.050 40.843 40.800 -0.012 0.000 0.959 59 D HN 0.004 nan 8.370 nan 0.000 0.452 60 R N 0.019 120.473 120.500 -0.076 0.000 2.081 60 R HA -0.085 4.255 4.340 0.001 0.000 0.235 60 R C 2.409 178.660 176.300 -0.081 0.000 1.131 60 R CA 1.156 57.146 56.100 -0.182 0.000 0.960 60 R CB -0.598 29.535 30.300 -0.278 0.000 0.856 60 R HN 0.183 nan 8.270 nan 0.000 0.436 61 M N 0.788 120.394 119.600 0.009 0.000 2.106 61 M HA -0.166 4.315 4.480 0.001 0.000 0.259 61 M C 1.837 178.189 176.300 0.087 0.000 1.068 61 M CA 1.627 56.973 55.300 0.076 0.000 1.100 61 M CB -0.986 31.678 32.600 0.107 0.000 1.351 61 M HN 0.154 nan 8.290 nan 0.000 0.404 62 E N 0.760 121.001 120.200 0.068 0.000 2.023 62 E HA -0.178 4.172 4.350 0.001 0.000 0.196 62 E C 2.016 178.687 176.600 0.119 0.000 1.003 62 E CA 1.336 57.787 56.400 0.086 0.000 0.809 62 E CB -0.375 29.364 29.700 0.065 0.000 0.755 62 E HN 0.532 nan 8.360 nan 0.000 0.449 63 K N 0.330 120.789 120.400 0.098 0.000 2.113 63 K HA -0.112 4.209 4.320 0.001 0.000 0.208 63 K C 2.282 179.025 176.600 0.238 0.000 1.047 63 K CA 1.076 57.453 56.287 0.150 0.000 0.928 63 K CB -0.205 32.361 32.500 0.112 0.000 0.716 63 K HN 0.158 nan 8.250 nan 0.000 0.446 64 I N 0.313 121.011 120.570 0.214 0.000 2.439 64 I HA -0.214 3.957 4.170 0.001 0.000 0.251 64 I C 2.644 178.940 176.117 0.299 0.000 1.139 64 I CA 0.782 62.255 61.300 0.289 0.000 1.438 64 I CB -0.162 37.975 38.000 0.228 0.000 1.085 64 I HN 0.166 nan 8.210 nan 0.000 0.427 65 R N 1.317 121.953 120.500 0.226 0.000 2.066 65 R HA -0.117 4.223 4.340 0.001 0.000 0.232 65 R C 2.509 178.956 176.300 0.246 0.000 1.131 65 R CA 1.224 57.447 56.100 0.205 0.000 0.955 65 R CB -0.047 30.345 30.300 0.153 0.000 0.851 65 R HN 0.237 nan 8.270 nan 0.000 0.432 66 R N -0.673 119.988 120.500 0.268 0.000 2.096 66 R HA -0.237 4.104 4.340 0.001 0.000 0.240 66 R C 2.295 178.844 176.300 0.416 0.000 1.139 66 R CA 1.984 58.273 56.100 0.315 0.000 0.952 66 R CB -0.856 29.661 30.300 0.362 0.000 0.854 66 R HN 0.320 nan 8.270 nan 0.000 0.436 67 Y N 1.984 122.486 120.300 0.337 0.000 2.070 67 Y HA -0.248 4.303 4.550 0.001 0.000 0.280 67 Y C 2.114 178.200 175.900 0.310 0.000 1.148 67 Y CA 1.593 59.895 58.100 0.336 0.000 1.125 67 Y CB -0.581 38.010 38.460 0.218 0.000 0.975 67 Y HN -0.066 nan 8.280 nan 0.000 0.492 68 L N -0.685 120.655 121.223 0.195 0.000 1.990 68 L HA -0.317 4.023 4.340 0.001 0.000 0.213 68 L C 2.510 179.597 176.870 0.362 0.000 1.072 68 L CA 1.244 56.165 54.840 0.135 0.000 0.755 68 L CB -0.887 41.250 42.059 0.131 0.000 0.889 68 L HN 0.317 nan 8.230 nan 0.000 0.432 69 L N -0.771 120.627 121.223 0.293 0.000 2.017 69 L HA -0.270 4.070 4.340 0.001 0.000 0.208 69 L C 2.671 179.607 176.870 0.111 0.000 1.073 69 L CA 1.888 56.860 54.840 0.220 0.000 0.745 69 L CB -1.782 40.364 42.059 0.147 0.000 0.894 69 L HN 0.458 nan 8.230 nan 0.000 0.432 70 H N 0.696 119.759 119.070 -0.012 0.000 2.422 70 H HA -0.150 4.406 4.556 0.001 0.000 0.298 70 H C 1.570 176.818 175.328 -0.132 0.000 1.098 70 H CA 1.398 57.362 56.048 -0.141 0.000 1.315 70 H CB 0.462 30.066 29.762 -0.265 0.000 1.382 70 H HN 0.312 nan 8.280 nan 0.000 0.523 71 E N 0.753 121.031 120.200 0.131 0.000 2.478 71 E HA -0.039 4.311 4.350 0.001 0.000 0.194 71 E C 0.645 177.244 176.600 -0.001 0.000 1.045 71 E CA 0.027 56.490 56.400 0.105 0.000 0.868 71 E CB 0.097 29.800 29.700 0.005 0.000 0.885 71 E HN 0.597 nan 8.360 nan 0.000 0.505 72 Q N 1.261 120.952 119.800 -0.182 0.000 2.288 72 Q HA 0.192 4.533 4.340 0.001 0.000 0.254 72 Q C -0.453 175.232 176.000 -0.526 0.000 0.932 72 Q CA -0.408 54.900 55.803 -0.826 0.000 0.902 72 Q CB 0.696 28.932 28.738 -0.835 0.000 1.203 72 Q HN -0.159 nan 8.270 nan 0.000 0.415 73 R N 1.783 121.953 120.500 -0.550 0.000 2.541 73 R HA 0.108 4.449 4.340 0.001 0.000 0.263 73 R C 1.058 177.164 176.300 -0.324 0.000 1.112 73 R CA -0.272 55.610 56.100 -0.364 0.000 1.170 73 R CB 0.321 30.429 30.300 -0.321 0.000 1.167 73 R HN 0.721 nan 8.270 nan 0.000 0.582 74 E N 0.831 120.887 120.200 -0.240 0.000 2.097 74 E HA -0.258 4.093 4.350 0.001 0.000 0.196 74 E C 0.960 177.443 176.600 -0.194 0.000 1.000 74 E CA 2.005 58.289 56.400 -0.192 0.000 0.804 74 E CB -0.123 29.488 29.700 -0.148 0.000 0.740 74 E HN 0.672 nan 8.360 nan 0.000 0.454 75 D N -0.674 119.596 120.400 -0.217 0.000 2.351 75 D HA -0.055 4.586 4.640 0.001 0.000 0.216 75 D C 1.188 177.349 176.300 -0.232 0.000 0.968 75 D CA 0.936 54.811 54.000 -0.208 0.000 0.899 75 D CB -0.205 40.448 40.800 -0.244 0.000 0.907 75 D HN 0.264 nan 8.370 nan 0.000 0.514 76 G N -0.383 108.231 108.800 -0.310 0.000 2.142 76 G HA2 -0.211 3.750 3.960 0.001 0.000 0.225 76 G HA3 -0.211 3.750 3.960 0.001 0.000 0.225 76 G C 0.337 174.936 174.900 -0.502 0.000 1.015 76 G CA 0.530 45.414 45.100 -0.360 0.000 0.716 76 G HN 0.857 nan 8.290 nan 0.000 0.508 77 T N -3.486 110.712 114.554 -0.593 0.000 2.807 77 T HA 0.804 5.154 4.350 0.001 0.000 0.277 77 T C -0.501 173.812 174.700 -0.645 0.000 1.006 77 T CA -0.983 60.811 62.100 -0.511 0.000 1.006 77 T CB 2.391 70.944 68.868 -0.525 0.000 1.274 77 T HN 0.556 nan 8.240 nan 0.000 0.569 78 W N -0.194 121.056 121.300 -0.084 0.000 2.936 78 W HA 0.703 5.364 4.660 0.001 0.000 0.338 78 W C -0.329 176.152 176.519 -0.063 0.000 1.121 78 W CA -1.146 56.160 57.345 -0.064 0.000 1.209 78 W CB 2.362 31.817 29.460 -0.008 0.000 1.420 78 W HN 1.099 nan 8.180 nan 0.000 0.516 79 A N 1.783 124.674 122.820 0.118 0.000 2.387 79 A HA 0.666 4.987 4.320 0.001 0.000 0.303 79 A C 0.445 178.079 177.584 0.085 0.000 1.145 79 A CA -0.584 51.462 52.037 0.015 0.000 0.801 79 A CB 1.282 20.154 19.000 -0.214 0.000 1.342 79 A HN 0.680 nan 8.150 nan 0.000 0.440 80 L N -0.767 120.538 121.223 0.137 0.000 2.109 80 L HA 0.034 4.375 4.340 0.001 0.000 0.207 80 L C 0.405 177.479 176.870 0.339 0.000 1.086 80 L CA 1.158 56.198 54.840 0.333 0.000 0.760 80 L CB -0.609 41.801 42.059 0.586 0.000 0.910 80 L HN 0.791 nan 8.230 nan 0.000 0.437 81 Y N -2.440 117.856 120.300 -0.006 0.000 2.576 81 Y HA 0.631 5.182 4.550 0.001 0.000 0.346 81 Y C -2.799 172.896 175.900 -0.342 0.000 1.018 81 Y CA -4.264 53.629 58.100 -0.345 0.000 1.050 81 Y CB -0.552 37.730 38.460 -0.296 0.000 1.280 81 Y HN -0.236 nan 8.280 nan 0.000 0.474 82 P HA 0.185 nan 4.420 nan 0.000 0.266 82 P C 0.637 177.878 177.300 -0.098 0.000 1.215 82 P CA 1.397 64.349 63.100 -0.247 0.000 0.763 82 P CB 0.858 32.412 31.700 -0.244 0.000 0.806 83 G N 2.120 110.825 108.800 -0.157 0.000 2.141 83 G HA2 -0.131 3.829 3.960 0.001 0.000 0.242 83 G HA3 -0.131 3.829 3.960 0.001 0.000 0.242 83 G C 0.401 175.137 174.900 -0.273 0.000 0.982 83 G CA -0.240 44.799 45.100 -0.102 0.000 0.662 83 G HN 0.895 nan 8.290 nan 0.000 0.527 84 G N -0.048 108.382 108.800 -0.617 0.000 2.462 84 G HA2 0.786 4.746 3.960 0.001 0.000 0.319 84 G HA3 0.786 4.746 3.960 0.001 0.000 0.319 84 G C -1.607 173.011 174.900 -0.470 0.000 1.171 84 G CA -0.751 43.770 45.100 -0.965 0.000 0.920 84 G HN 0.249 nan 8.290 nan 0.000 0.499 85 P HA 0.178 nan 4.420 nan 0.000 0.269 85 P C -2.519 174.699 177.300 -0.135 0.000 1.215 85 P CA -0.904 62.115 63.100 -0.136 0.000 0.780 85 P CB 0.482 32.180 31.700 -0.004 0.000 0.898 86 P HA 0.032 nan 4.420 nan 0.000 0.268 86 P C -0.458 176.905 177.300 0.105 0.000 1.204 86 P CA 0.482 63.433 63.100 -0.249 0.000 0.768 86 P CB 0.654 31.806 31.700 -0.913 0.000 0.842 87 D N 2.689 123.218 120.400 0.216 0.000 2.256 87 D HA 0.083 4.724 4.640 0.001 0.000 0.240 87 D C 0.926 177.485 176.300 0.431 0.000 1.062 87 D CA -0.620 53.572 54.000 0.321 0.000 0.832 87 D CB 1.648 42.602 40.800 0.257 0.000 1.135 87 D HN 0.054 nan 8.370 nan 0.000 0.484 88 L N 4.807 126.228 121.223 0.329 0.000 1.976 88 L HA -0.129 4.211 4.340 0.001 0.000 0.209 88 L C 1.565 178.506 176.870 0.119 0.000 1.071 88 L CA 1.880 56.811 54.840 0.151 0.000 0.746 88 L CB -0.487 41.552 42.059 -0.033 0.000 0.890 88 L HN 0.458 nan 8.230 nan 0.000 0.432 89 D N -0.854 119.596 120.400 0.084 0.000 2.137 89 D HA -0.227 4.414 4.640 0.001 0.000 0.189 89 D C 1.945 178.268 176.300 0.040 0.000 0.998 89 D CA 2.347 56.363 54.000 0.028 0.000 0.839 89 D CB -0.687 40.109 40.800 -0.007 0.000 0.962 89 D HN 0.402 nan 8.370 nan 0.000 0.446 90 T N 0.829 115.438 114.554 0.092 0.000 2.685 90 T HA -0.155 4.196 4.350 0.001 0.000 0.268 90 T C 2.095 176.830 174.700 0.058 0.000 1.034 90 T CA 2.049 64.193 62.100 0.074 0.000 1.149 90 T CB -0.601 68.366 68.868 0.165 0.000 0.860 90 T HN 0.192 nan 8.240 nan 0.000 0.449 91 T N 1.926 116.624 114.554 0.240 0.000 2.770 91 T HA 0.098 4.449 4.350 0.001 0.000 0.263 91 T C 2.031 176.859 174.700 0.215 0.000 1.039 91 T CA 0.788 63.132 62.100 0.407 0.000 1.142 91 T CB -0.391 68.835 68.868 0.596 0.000 0.868 91 T HN 0.326 nan 8.240 nan 0.000 0.435 92 I N 1.145 121.793 120.570 0.130 0.000 2.151 92 I HA -0.217 3.954 4.170 0.001 0.000 0.243 92 I C 2.655 178.806 176.117 0.057 0.000 1.080 92 I CA 1.567 62.913 61.300 0.077 0.000 1.339 92 I CB -0.438 37.557 38.000 -0.009 0.000 1.039 92 I HN 0.344 nan 8.210 nan 0.000 0.409 93 E N 0.745 120.924 120.200 -0.036 0.000 2.110 93 E HA -0.199 4.151 4.350 0.001 0.000 0.193 93 E C 2.322 178.821 176.600 -0.169 0.000 0.988 93 E CA 1.232 57.565 56.400 -0.112 0.000 0.804 93 E CB -0.153 29.440 29.700 -0.179 0.000 0.745 93 E HN 0.531 nan 8.360 nan 0.000 0.458 94 A N 0.629 123.274 122.820 -0.291 0.000 1.930 94 A HA -0.196 4.125 4.320 0.001 0.000 0.217 94 A C 1.985 179.416 177.584 -0.255 0.000 1.175 94 A CA 1.137 52.843 52.037 -0.551 0.000 0.627 94 A CB -0.656 17.407 19.000 -1.562 0.000 0.815 94 A HN 0.367 nan 8.150 nan 0.000 0.443 95 Y N 0.905 121.122 120.300 -0.138 0.000 2.089 95 Y HA -0.217 4.333 4.550 0.001 0.000 0.282 95 Y C 2.391 178.303 175.900 0.020 0.000 1.139 95 Y CA 2.127 60.253 58.100 0.043 0.000 1.123 95 Y CB -0.531 37.990 38.460 0.102 0.000 0.980 95 Y HN 0.064 nan 8.280 nan 0.000 0.493 96 V N 0.710 120.645 119.914 0.036 0.000 2.287 96 V HA -0.378 3.742 4.120 0.001 0.000 0.248 96 V C 2.701 178.758 176.094 -0.062 0.000 1.053 96 V CA 1.948 64.229 62.300 -0.031 0.000 1.027 96 V CB -1.832 30.009 31.823 0.030 0.000 0.646 96 V HN 0.585 nan 8.190 nan 0.000 0.447 97 A N -0.059 122.717 122.820 -0.074 0.000 1.865 97 A HA -0.209 4.111 4.320 0.001 0.000 0.217 97 A C 2.252 179.840 177.584 0.007 0.000 1.191 97 A CA 2.200 54.207 52.037 -0.051 0.000 0.623 97 A CB -0.684 18.261 19.000 -0.091 0.000 0.826 97 A HN 0.489 nan 8.150 nan 0.000 0.444 98 L N -0.761 120.439 121.223 -0.039 0.000 1.989 98 L HA -0.251 4.089 4.340 0.001 0.000 0.211 98 L C 2.692 179.541 176.870 -0.035 0.000 1.071 98 L CA 2.152 56.988 54.840 -0.007 0.000 0.749 98 L CB -0.475 41.590 42.059 0.009 0.000 0.890 98 L HN 0.484 nan 8.230 nan 0.000 0.431 99 K N -0.759 119.550 120.400 -0.151 0.000 2.152 99 K HA -0.273 4.047 4.320 0.001 0.000 0.206 99 K C 2.222 178.796 176.600 -0.043 0.000 1.048 99 K CA 1.647 57.841 56.287 -0.155 0.000 0.933 99 K CB -0.225 32.099 32.500 -0.293 0.000 0.721 99 K HN 0.220 nan 8.250 nan 0.000 0.447 100 Y N 1.012 121.250 120.300 -0.104 0.000 2.220 100 Y HA -0.095 4.455 4.550 0.001 0.000 0.291 100 Y C 1.632 177.506 175.900 -0.042 0.000 1.129 100 Y CA 1.392 59.446 58.100 -0.077 0.000 1.161 100 Y CB 0.012 38.419 38.460 -0.087 0.000 0.997 100 Y HN -0.008 nan 8.280 nan 0.000 0.522 101 I N -0.841 119.831 120.570 0.169 0.000 2.286 101 I HA -0.168 4.002 4.170 0.001 0.000 0.248 101 I C 2.122 178.239 176.117 -0.001 0.000 1.115 101 I CA 1.790 63.157 61.300 0.112 0.000 1.392 101 I CB -0.435 37.645 38.000 0.132 0.000 1.065 101 I HN 0.492 nan 8.210 nan 0.000 0.418 102 G N -1.292 107.497 108.800 -0.018 0.000 3.724 102 G HA2 -0.008 3.952 3.960 0.001 0.000 0.212 102 G HA3 -0.008 3.952 3.960 0.001 0.000 0.212 102 G C 0.386 175.275 174.900 -0.019 0.000 0.928 102 G CA -0.618 44.465 45.100 -0.029 0.000 0.879 102 G HN -0.073 nan 8.290 nan 0.000 0.424 103 M N 2.994 122.592 119.600 -0.004 0.000 2.243 103 M HA 0.217 4.698 4.480 0.001 0.000 0.365 103 M C 0.946 177.233 176.300 -0.022 0.000 1.327 103 M CA 0.429 55.728 55.300 -0.001 0.000 0.918 103 M CB 0.117 32.721 32.600 0.006 0.000 1.894 103 M HN 0.559 nan 8.290 nan 0.000 0.473 104 S N 3.407 119.108 115.700 0.002 0.000 2.541 104 S HA 0.455 4.926 4.470 0.001 0.000 0.283 104 S C 0.932 175.552 174.600 0.035 0.000 1.196 104 S CA -1.019 57.186 58.200 0.009 0.000 1.062 104 S CB 1.348 64.560 63.200 0.019 0.000 1.009 104 S HN 0.770 nan 8.310 nan 0.000 0.502 105 R N 1.001 121.533 120.500 0.054 0.000 2.355 105 R HA -0.081 4.259 4.340 0.001 0.000 0.219 105 R C 0.153 176.525 176.300 0.121 0.000 1.107 105 R CA 1.387 57.565 56.100 0.130 0.000 1.021 105 R CB -0.561 29.841 30.300 0.170 0.000 0.852 105 R HN 0.601 nan 8.270 nan 0.000 0.475 106 D N 1.500 121.947 120.400 0.079 0.000 2.149 106 D HA -0.058 4.582 4.640 0.001 0.000 0.206 106 D C 0.028 176.365 176.300 0.062 0.000 0.967 106 D CA 0.550 54.589 54.000 0.065 0.000 0.848 106 D CB -0.131 40.697 40.800 0.046 0.000 0.998 106 D HN 0.393 nan 8.370 nan 0.000 0.474 107 E N 1.673 121.908 120.200 0.058 0.000 2.568 107 E HA -0.107 4.243 4.350 0.001 0.000 0.262 107 E C 0.936 177.573 176.600 0.061 0.000 0.961 107 E CA 0.086 56.518 56.400 0.053 0.000 0.945 107 E CB 0.907 30.637 29.700 0.051 0.000 0.924 107 E HN 0.202 nan 8.360 nan 0.000 0.467 108 E N 3.975 124.199 120.200 0.041 0.000 2.086 108 E HA -0.241 4.109 4.350 0.001 0.000 0.205 108 E C -0.857 175.766 176.600 0.038 0.000 1.027 108 E CA 1.894 58.312 56.400 0.030 0.000 0.830 108 E CB -0.479 29.225 29.700 0.008 0.000 0.751 108 E HN 0.404 nan 8.360 nan 0.000 0.456 109 P HA -0.217 nan 4.420 nan 0.000 0.216 109 P C 1.270 178.644 177.300 0.124 0.000 1.153 109 P CA 1.703 64.831 63.100 0.045 0.000 0.858 109 P CB -0.019 31.721 31.700 0.066 0.000 0.789 110 M N -1.480 118.227 119.600 0.179 0.000 2.175 110 M HA -0.124 4.356 4.480 0.001 0.000 0.264 110 M C 2.051 178.513 176.300 0.269 0.000 1.063 110 M CA 1.647 57.141 55.300 0.323 0.000 1.119 110 M CB -1.655 31.111 32.600 0.277 0.000 1.377 110 M HN 0.031 nan 8.290 nan 0.000 0.415 111 Q N 0.931 120.821 119.800 0.150 0.000 1.975 111 Q HA -0.143 4.198 4.340 0.001 0.000 0.205 111 Q C 2.069 178.105 176.000 0.059 0.000 0.990 111 Q CA 1.550 57.408 55.803 0.093 0.000 0.845 111 Q CB -0.513 28.261 28.738 0.061 0.000 0.913 111 Q HN 0.536 nan 8.270 nan 0.000 0.420 112 K N 0.257 120.680 120.400 0.038 0.000 2.152 112 K HA -0.121 4.200 4.320 0.001 0.000 0.206 112 K C 2.042 178.661 176.600 0.032 0.000 1.048 112 K CA 1.122 57.416 56.287 0.011 0.000 0.933 112 K CB -0.126 32.351 32.500 -0.038 0.000 0.721 112 K HN 0.161 nan 8.250 nan 0.000 0.447 113 A N 1.569 124.427 122.820 0.063 0.000 1.854 113 A HA -0.112 4.208 4.320 0.001 0.000 0.214 113 A C 2.105 179.707 177.584 0.030 0.000 1.192 113 A CA 0.885 52.993 52.037 0.118 0.000 0.611 113 A CB -0.668 18.505 19.000 0.289 0.000 0.832 113 A HN 0.231 nan 8.150 nan 0.000 0.442 114 L N -0.711 120.448 121.223 -0.107 0.000 2.043 114 L HA -0.258 4.083 4.340 0.001 0.000 0.212 114 L C 2.863 179.668 176.870 -0.108 0.000 1.075 114 L CA 1.313 55.993 54.840 -0.266 0.000 0.752 114 L CB -0.304 41.637 42.059 -0.197 0.000 0.891 114 L HN 0.374 nan 8.230 nan 0.000 0.432 115 R N -0.520 119.971 120.500 -0.015 0.000 2.113 115 R HA -0.265 4.076 4.340 0.001 0.000 0.231 115 R C 2.139 178.466 176.300 0.044 0.000 1.129 115 R CA 2.144 58.255 56.100 0.020 0.000 0.915 115 R CB -1.501 28.828 30.300 0.048 0.000 0.837 115 R HN 0.323 nan 8.270 nan 0.000 0.430 116 F N 1.887 121.807 119.950 -0.050 0.000 2.115 116 F HA -0.224 4.304 4.527 0.001 0.000 0.300 116 F C 2.241 178.019 175.800 -0.037 0.000 1.092 116 F CA 1.335 59.313 58.000 -0.036 0.000 1.245 116 F CB -0.425 38.557 39.000 -0.030 0.000 0.995 116 F HN -0.008 nan 8.300 nan 0.000 0.481 117 I N -0.046 120.395 120.570 -0.215 0.000 2.179 117 I HA -0.330 3.841 4.170 0.001 0.000 0.242 117 I C 2.383 178.337 176.117 -0.272 0.000 1.088 117 I CA 1.620 62.727 61.300 -0.320 0.000 1.357 117 I CB -0.695 37.164 38.000 -0.235 0.000 1.051 117 I HN 0.255 nan 8.210 nan 0.000 0.409 118 Q N 0.445 120.138 119.800 -0.179 0.000 2.119 118 Q HA -0.139 4.202 4.340 0.001 0.000 0.201 118 Q C 2.226 178.160 176.000 -0.111 0.000 0.972 118 Q CA 1.778 57.509 55.803 -0.120 0.000 0.847 118 Q CB -0.207 28.488 28.738 -0.071 0.000 0.903 118 Q HN 0.576 nan 8.270 nan 0.000 0.433 119 S N 0.198 115.826 115.700 -0.120 0.000 2.595 119 S HA -0.058 4.412 4.470 0.001 0.000 0.235 119 S C 1.386 175.907 174.600 -0.132 0.000 0.974 119 S CA 0.558 58.707 58.200 -0.085 0.000 0.942 119 S CB 0.147 63.335 63.200 -0.021 0.000 0.766 119 S HN 0.218 nan 8.310 nan 0.000 0.536 120 Q N -0.039 119.629 119.800 -0.219 0.000 2.189 120 Q HA 0.335 4.676 4.340 0.001 0.000 0.223 120 Q C 1.254 177.176 176.000 -0.129 0.000 0.828 120 Q CA 0.612 56.288 55.803 -0.212 0.000 0.967 120 Q CB 0.803 29.308 28.738 -0.387 0.000 1.139 120 Q HN 0.717 nan 8.270 nan 0.000 0.497 121 G N -0.011 108.728 108.800 -0.100 0.000 2.179 121 G HA2 -0.101 3.859 3.960 0.001 0.000 0.220 121 G HA3 -0.101 3.859 3.960 0.001 0.000 0.220 121 G C 0.625 175.492 174.900 -0.056 0.000 0.990 121 G CA 0.139 45.207 45.100 -0.053 0.000 0.646 121 G HN 0.759 nan 8.290 nan 0.000 0.517 122 G N -0.404 108.331 108.800 -0.108 0.000 2.593 122 G HA2 -0.120 3.840 3.960 0.001 0.000 0.237 122 G HA3 -0.120 3.840 3.960 0.001 0.000 0.237 122 G C 1.047 175.860 174.900 -0.145 0.000 1.312 122 G CA 0.413 45.437 45.100 -0.127 0.000 0.896 122 G HN 1.393 nan 8.290 nan 0.000 0.574 123 I N 0.584 121.032 120.570 -0.204 0.000 2.423 123 I HA -0.098 4.073 4.170 0.001 0.000 0.254 123 I C 2.278 178.295 176.117 -0.166 0.000 1.151 123 I CA 2.230 63.382 61.300 -0.246 0.000 1.421 123 I CB -0.173 37.571 38.000 -0.427 0.000 1.079 123 I HN 0.538 nan 8.210 nan 0.000 0.431 124 E N 0.557 120.734 120.200 -0.038 0.000 2.472 124 E HA -0.100 4.250 4.350 0.001 0.000 0.200 124 E C 1.859 178.459 176.600 0.001 0.000 1.046 124 E CA 0.653 57.080 56.400 0.045 0.000 0.871 124 E CB 0.027 29.801 29.700 0.123 0.000 0.806 124 E HN 0.468 nan 8.360 nan 0.000 0.533 125 S N 0.142 115.818 115.700 -0.041 0.000 2.540 125 S HA 0.034 4.504 4.470 0.001 0.000 0.218 125 S C 0.805 175.378 174.600 -0.045 0.000 0.977 125 S CA -0.193 57.986 58.200 -0.034 0.000 0.918 125 S CB 0.419 63.590 63.200 -0.047 0.000 0.806 125 S HN 0.227 nan 8.310 nan 0.000 0.496 126 S N 2.600 118.251 115.700 -0.081 0.000 2.614 126 S HA 0.404 4.875 4.470 0.001 0.000 0.265 126 S C 0.395 174.951 174.600 -0.074 0.000 1.303 126 S CA -1.009 57.142 58.200 -0.082 0.000 1.000 126 S CB 0.540 63.665 63.200 -0.124 0.000 0.935 126 S HN 0.548 nan 8.310 nan 0.000 0.551 127 R N 0.353 120.816 120.500 -0.062 0.000 2.893 127 R HA 0.249 4.590 4.340 0.001 0.000 0.279 127 R C 0.881 177.108 176.300 -0.122 0.000 1.076 127 R CA -0.583 55.474 56.100 -0.071 0.000 1.203 127 R CB -0.355 29.894 30.300 -0.085 0.000 1.137 127 R HN 0.386 nan 8.270 nan 0.000 0.541 128 V N -0.051 119.742 119.914 -0.202 0.000 2.237 128 V HA -0.247 3.874 4.120 0.001 0.000 0.245 128 V C 2.211 178.178 176.094 -0.211 0.000 1.046 128 V CA 1.825 63.960 62.300 -0.275 0.000 1.007 128 V CB -0.908 30.592 31.823 -0.538 0.000 0.638 128 V HN 0.661 nan 8.190 nan 0.000 0.445 129 F N 1.056 120.938 119.950 -0.114 0.000 2.087 129 F HA -0.257 4.271 4.527 0.001 0.000 0.299 129 F C 2.669 178.554 175.800 0.142 0.000 1.100 129 F CA 2.185 60.210 58.000 0.041 0.000 1.226 129 F CB -1.692 37.348 39.000 0.067 0.000 0.983 129 F HN 0.106 nan 8.300 nan 0.000 0.479 130 T N -0.215 114.459 114.554 0.200 0.000 2.635 130 T HA -0.246 4.104 4.350 0.001 0.000 0.267 130 T C 2.100 176.809 174.700 0.016 0.000 1.040 130 T CA 1.789 63.946 62.100 0.095 0.000 1.156 130 T CB -0.338 68.507 68.868 -0.037 0.000 0.863 130 T HN 0.203 nan 8.240 nan 0.000 0.430 131 R N 0.222 120.637 120.500 -0.142 0.000 2.120 131 R HA 0.061 4.401 4.340 0.001 0.000 0.234 131 R C 2.556 178.757 176.300 -0.166 0.000 1.123 131 R CA 1.184 57.060 56.100 -0.374 0.000 0.975 131 R CB -0.338 29.614 30.300 -0.579 0.000 0.866 131 R HN 0.427 nan 8.270 nan 0.000 0.446 132 M N -0.502 119.061 119.600 -0.061 0.000 2.099 132 M HA -0.190 4.291 4.480 0.001 0.000 0.262 132 M C 1.428 177.643 176.300 -0.142 0.000 1.067 132 M CA 1.808 57.019 55.300 -0.150 0.000 1.124 132 M CB -0.157 32.429 32.600 -0.024 0.000 1.353 132 M HN 0.151 nan 8.290 nan 0.000 0.410 133 W N 0.852 122.160 121.300 0.014 0.000 2.335 133 W HA -0.177 4.483 4.660 0.001 0.000 0.311 133 W C 2.107 178.633 176.519 0.010 0.000 1.213 133 W CA 1.298 58.681 57.345 0.064 0.000 1.274 133 W CB -0.539 28.968 29.460 0.078 0.000 1.148 133 W HN 0.202 nan 8.180 nan 0.000 0.498 134 L N -0.297 121.041 121.223 0.191 0.000 2.191 134 L HA -0.181 4.160 4.340 0.001 0.000 0.212 134 L C 2.494 179.404 176.870 0.067 0.000 1.103 134 L CA 1.074 55.982 54.840 0.113 0.000 0.769 134 L CB -1.004 41.072 42.059 0.027 0.000 0.908 134 L HN 0.016 nan 8.230 nan 0.000 0.438 135 A N -0.176 122.588 122.820 -0.093 0.000 1.970 135 A HA -0.061 4.259 4.320 0.001 0.000 0.216 135 A C 2.191 179.592 177.584 -0.305 0.000 1.170 135 A CA 0.852 52.670 52.037 -0.365 0.000 0.645 135 A CB -0.413 18.013 19.000 -0.957 0.000 0.816 135 A HN 0.344 nan 8.150 nan 0.000 0.447 136 L N 0.036 121.188 121.223 -0.118 0.000 2.201 136 L HA -0.114 4.226 4.340 0.001 0.000 0.212 136 L C 2.171 179.233 176.870 0.320 0.000 1.105 136 L CA 1.255 56.220 54.840 0.208 0.000 0.775 136 L CB -0.159 42.030 42.059 0.218 0.000 0.913 136 L HN 0.448 nan 8.230 nan 0.000 0.440 137 V N -4.268 115.807 119.914 0.268 0.000 3.647 137 V HA 0.455 4.575 4.120 0.001 0.000 0.279 137 V C 1.226 177.461 176.094 0.234 0.000 1.314 137 V CA 0.343 62.833 62.300 0.317 0.000 1.125 137 V CB -0.191 31.801 31.823 0.282 0.000 0.907 137 V HN 0.428 nan 8.190 nan 0.000 0.434 138 G N 1.011 109.913 108.800 0.171 0.000 2.142 138 G HA2 -0.177 3.783 3.960 0.001 0.000 0.225 138 G HA3 -0.177 3.783 3.960 0.001 0.000 0.225 138 G C 0.160 175.153 174.900 0.155 0.000 1.015 138 G CA 0.345 45.533 45.100 0.147 0.000 0.716 138 G HN 0.527 nan 8.290 nan 0.000 0.508 139 E N -1.231 119.074 120.200 0.175 0.000 2.548 139 E HA 0.331 4.682 4.350 0.001 0.000 0.206 139 E C -0.385 176.429 176.600 0.357 0.000 1.005 139 E CA -0.220 56.319 56.400 0.231 0.000 0.951 139 E CB 0.663 30.474 29.700 0.185 0.000 1.035 139 E HN 0.653 nan 8.360 nan 0.000 0.470 140 Y N 0.872 121.225 120.300 0.088 0.000 2.465 140 Y HA 0.216 4.767 4.550 0.001 0.000 0.323 140 Y C -2.670 173.222 175.900 -0.014 0.000 1.191 140 Y CA -2.135 56.017 58.100 0.086 0.000 1.082 140 Y CB 1.820 40.295 38.460 0.025 0.000 1.334 140 Y HN -0.164 nan 8.280 nan 0.000 0.449 141 P HA 0.029 nan 4.420 nan 0.000 0.276 141 P C 0.159 177.367 177.300 -0.155 0.000 1.235 141 P CA 0.242 63.207 63.100 -0.226 0.000 0.772 141 P CB 0.837 32.388 31.700 -0.247 0.000 0.871 142 W N 2.055 123.352 121.300 -0.005 0.000 2.374 142 W HA -0.150 4.510 4.660 0.001 0.000 0.288 142 W C 2.046 178.633 176.519 0.114 0.000 1.218 142 W CA 1.036 58.419 57.345 0.063 0.000 1.245 142 W CB -0.610 28.866 29.460 0.027 0.000 1.126 142 W HN 0.431 nan 8.180 nan 0.000 0.545 143 E N 0.209 120.588 120.200 0.298 0.000 2.171 143 E HA -0.202 4.149 4.350 0.001 0.000 0.197 143 E C 1.326 178.008 176.600 0.136 0.000 0.997 143 E CA 1.349 57.917 56.400 0.281 0.000 0.810 143 E CB -0.327 29.448 29.700 0.124 0.000 0.738 143 E HN 0.195 nan 8.360 nan 0.000 0.467 144 K N 0.424 120.848 120.400 0.040 0.000 2.500 144 K HA 0.174 4.494 4.320 0.001 0.000 0.206 144 K C -0.722 176.003 176.600 0.210 0.000 1.034 144 K CA -0.033 56.270 56.287 0.025 0.000 1.179 144 K CB 0.859 33.300 32.500 -0.099 0.000 0.884 144 K HN -0.060 nan 8.250 nan 0.000 0.493 145 V N 2.428 122.538 119.914 0.326 0.000 2.448 145 V HA 0.213 4.334 4.120 0.001 0.000 0.295 145 V C -2.440 173.911 176.094 0.428 0.000 1.025 145 V CA -2.599 59.913 62.300 0.353 0.000 0.859 145 V CB 1.481 33.500 31.823 0.326 0.000 0.988 145 V HN 0.033 nan 8.190 nan 0.000 0.431 146 P HA -0.010 nan 4.420 nan 0.000 0.257 146 P C -0.324 177.161 177.300 0.309 0.000 1.162 146 P CA 0.208 63.520 63.100 0.354 0.000 0.762 146 P CB 0.210 32.096 31.700 0.310 0.000 0.753 147 M N 5.311 125.067 119.600 0.260 0.000 2.235 147 M HA 0.278 4.758 4.480 0.001 0.000 0.351 147 M C -1.053 175.207 176.300 -0.067 0.000 1.178 147 M CA 0.037 55.323 55.300 -0.024 0.000 1.143 147 M CB 0.659 33.112 32.600 -0.245 0.000 1.530 147 M HN 0.014 nan 8.290 nan 0.000 0.461 148 V N 8.015 127.820 119.914 -0.182 0.000 2.439 148 V HA 0.440 4.560 4.120 0.001 0.000 0.277 148 V C -2.299 173.658 176.094 -0.229 0.000 1.008 148 V CA -1.165 60.981 62.300 -0.257 0.000 0.846 148 V CB 1.274 32.797 31.823 -0.500 0.000 1.031 148 V HN 0.813 nan 8.190 nan 0.000 0.441 149 P HA 0.276 nan 4.420 nan 0.000 0.275 149 P C -2.474 174.726 177.300 -0.167 0.000 1.228 149 P CA -1.639 61.391 63.100 -0.118 0.000 0.786 149 P CB 1.524 33.220 31.700 -0.008 0.000 0.927 150 P HA -0.118 nan 4.420 nan 0.000 0.220 150 P C 1.144 178.267 177.300 -0.296 0.000 1.148 150 P CA 1.331 64.291 63.100 -0.235 0.000 0.803 150 P CB -0.002 31.580 31.700 -0.196 0.000 0.782 151 E N -0.483 119.618 120.200 -0.164 0.000 2.273 151 E HA -0.172 4.178 4.350 0.001 0.000 0.198 151 E C 1.762 178.262 176.600 -0.166 0.000 1.002 151 E CA 0.507 56.840 56.400 -0.111 0.000 0.828 151 E CB -1.215 28.607 29.700 0.203 0.000 0.747 151 E HN 0.293 nan 8.360 nan 0.000 0.491 152 I N -0.001 120.459 120.570 -0.182 0.000 2.657 152 I HA -0.263 3.908 4.170 0.001 0.000 0.261 152 I C 1.108 177.079 176.117 -0.244 0.000 1.212 152 I CA 0.875 62.070 61.300 -0.175 0.000 1.453 152 I CB 0.102 37.962 38.000 -0.234 0.000 1.092 152 I HN 0.136 nan 8.210 nan 0.000 0.452 153 M N -0.421 118.944 119.600 -0.392 0.000 2.557 153 M HA -0.072 4.408 4.480 0.001 0.000 0.259 153 M C 1.496 177.616 176.300 -0.301 0.000 1.086 153 M CA 1.183 56.230 55.300 -0.421 0.000 1.096 153 M CB -0.964 31.323 32.600 -0.522 0.000 1.424 153 M HN 0.210 nan 8.290 nan 0.000 0.488 154 F N 0.178 120.093 119.950 -0.059 0.000 2.664 154 F HA 0.177 4.704 4.527 0.001 0.000 0.296 154 F C 1.070 176.852 175.800 -0.029 0.000 1.125 154 F CA -0.486 57.488 58.000 -0.043 0.000 1.444 154 F CB -0.783 38.186 39.000 -0.051 0.000 1.114 154 F HN -0.068 nan 8.300 nan 0.000 0.576 155 L N 0.597 121.895 121.223 0.125 0.000 2.540 155 L HA 0.150 4.490 4.340 0.001 0.000 0.276 155 L C 1.223 178.149 176.870 0.093 0.000 1.212 155 L CA -0.141 54.752 54.840 0.088 0.000 0.893 155 L CB -0.398 41.694 42.059 0.056 0.000 1.138 155 L HN 0.130 nan 8.230 nan 0.000 0.491 156 G N 2.320 111.172 108.800 0.087 0.000 2.634 156 G HA2 0.119 4.080 3.960 0.001 0.000 0.255 156 G HA3 0.119 4.080 3.960 0.001 0.000 0.255 156 G C 0.694 175.658 174.900 0.107 0.000 1.205 156 G CA -0.546 44.607 45.100 0.087 0.000 0.884 156 G HN 0.768 nan 8.290 nan 0.000 0.549 157 K N -0.132 120.328 120.400 0.099 0.000 2.127 157 K HA -0.135 4.185 4.320 0.001 0.000 0.208 157 K C 1.221 177.874 176.600 0.087 0.000 1.047 157 K CA 1.255 57.600 56.287 0.097 0.000 0.927 157 K CB -0.030 32.478 32.500 0.014 0.000 0.716 157 K HN 0.472 nan 8.250 nan 0.000 0.450 158 R N 1.157 121.693 120.500 0.061 0.000 2.860 158 R HA 0.348 4.688 4.340 0.001 0.000 0.282 158 R C -0.739 175.590 176.300 0.049 0.000 1.408 158 R CA 0.033 56.163 56.100 0.051 0.000 1.636 158 R CB -0.127 30.192 30.300 0.031 0.000 1.187 158 R HN 0.029 nan 8.270 nan 0.000 0.611 159 M N 1.915 121.553 119.600 0.063 0.000 2.520 159 M HA 0.415 4.895 4.480 0.001 0.000 0.283 159 M C -2.615 173.724 176.300 0.064 0.000 1.237 159 M CA -2.113 53.221 55.300 0.056 0.000 0.885 159 M CB 3.773 36.407 32.600 0.057 0.000 1.727 159 M HN 0.040 nan 8.290 nan 0.000 0.468 160 P HA 0.101 nan 4.420 nan 0.000 0.261 160 P C -0.076 177.274 177.300 0.084 0.000 1.203 160 P CA 0.481 63.619 63.100 0.063 0.000 0.767 160 P CB 0.331 32.068 31.700 0.061 0.000 0.785 161 L N -0.460 120.817 121.223 0.090 0.000 4.406 161 L HA -0.269 4.071 4.340 0.001 0.000 0.406 161 L C 0.553 177.559 176.870 0.227 0.000 1.133 161 L CA 0.321 55.262 54.840 0.169 0.000 0.974 161 L CB -2.157 40.001 42.059 0.165 0.000 2.152 161 L HN 0.526 nan 8.230 nan 0.000 0.736 162 N N 0.928 119.725 118.700 0.162 0.000 2.525 162 N HA 0.344 5.085 4.740 0.001 0.000 0.271 162 N C 1.411 176.979 175.510 0.096 0.000 1.194 162 N CA -0.053 53.059 53.050 0.102 0.000 0.964 162 N CB 0.554 39.117 38.487 0.128 0.000 1.126 162 N HN 0.360 nan 8.380 nan 0.000 0.452 163 I N -2.491 117.969 120.570 -0.183 0.000 2.597 163 I HA -0.288 3.883 4.170 0.001 0.000 0.262 163 I C 0.195 176.122 176.117 -0.317 0.000 1.194 163 I CA 1.351 62.380 61.300 -0.451 0.000 1.437 163 I CB -0.538 36.955 38.000 -0.845 0.000 1.096 163 I HN 0.466 nan 8.210 nan 0.000 0.451 164 Y N 1.434 121.787 120.300 0.089 0.000 2.461 164 Y HA 0.206 4.756 4.550 0.001 0.000 0.277 164 Y C 1.955 177.937 175.900 0.137 0.000 1.182 164 Y CA 0.115 58.290 58.100 0.125 0.000 1.276 164 Y CB -0.250 38.273 38.460 0.105 0.000 1.087 164 Y HN 0.313 nan 8.280 nan 0.000 0.519 165 E N -0.910 119.452 120.200 0.271 0.000 2.460 165 E HA 0.082 4.433 4.350 0.001 0.000 0.200 165 E C -0.322 176.283 176.600 0.007 0.000 1.011 165 E CA 0.021 56.492 56.400 0.118 0.000 0.912 165 E CB 0.299 30.016 29.700 0.029 0.000 0.953 165 E HN 0.184 nan 8.360 nan 0.000 0.494 166 F N 0.837 120.745 119.950 -0.071 0.000 2.375 166 F HA 0.403 4.930 4.527 0.001 0.000 0.317 166 F C 1.399 177.081 175.800 -0.196 0.000 1.124 166 F CA -0.704 57.218 58.000 -0.129 0.000 1.050 166 F CB 0.309 39.220 39.000 -0.149 0.000 1.314 166 F HN -0.234 nan 8.300 nan 0.000 0.511 167 G N -0.287 108.393 108.800 -0.200 0.000 2.467 167 G HA2 0.340 4.301 3.960 0.001 0.000 0.257 167 G HA3 0.340 4.301 3.960 0.001 0.000 0.257 167 G C 0.743 175.299 174.900 -0.574 0.000 1.227 167 G CA 0.053 44.747 45.100 -0.676 0.000 0.835 167 G HN 0.777 nan 8.290 nan 0.000 0.556 168 S N 0.604 116.070 115.700 -0.390 0.000 2.380 168 S HA -0.277 4.193 4.470 0.001 0.000 0.229 168 S C 1.933 176.403 174.600 -0.216 0.000 1.043 168 S CA 2.343 60.436 58.200 -0.178 0.000 1.038 168 S CB -0.763 62.312 63.200 -0.208 0.000 0.872 168 S HN 0.972 nan 8.310 nan 0.000 0.456 169 W N 2.123 123.430 121.300 0.012 0.000 2.402 169 W HA 0.450 5.110 4.660 0.001 0.000 0.286 169 W C 2.377 178.988 176.519 0.153 0.000 1.221 169 W CA 0.395 57.778 57.345 0.064 0.000 1.257 169 W CB -0.907 28.678 29.460 0.208 0.000 1.120 169 W HN 0.346 nan 8.180 nan 0.000 0.551 170 A N 1.148 123.999 122.820 0.052 0.000 1.935 170 A HA 0.028 4.348 4.320 0.001 0.000 0.214 170 A C 2.235 179.847 177.584 0.047 0.000 1.178 170 A CA 1.200 53.371 52.037 0.223 0.000 0.640 170 A CB -0.812 18.337 19.000 0.248 0.000 0.825 170 A HN 0.339 nan 8.150 nan 0.000 0.447 171 R N 0.051 120.509 120.500 -0.070 0.000 2.132 171 R HA -0.218 4.122 4.340 0.001 0.000 0.233 171 R C 2.308 178.463 176.300 -0.242 0.000 1.125 171 R CA 2.024 57.987 56.100 -0.228 0.000 0.914 171 R CB -0.583 29.650 30.300 -0.112 0.000 0.845 171 R HN 0.396 nan 8.270 nan 0.000 0.431 172 A N -0.084 122.752 122.820 0.026 0.000 1.917 172 A HA -0.206 4.114 4.320 0.001 0.000 0.219 172 A C 2.250 179.871 177.584 0.062 0.000 1.182 172 A CA 2.356 54.504 52.037 0.185 0.000 0.633 172 A CB -1.094 18.140 19.000 0.389 0.000 0.819 172 A HN 0.611 nan 8.150 nan 0.000 0.448 173 T N -0.328 114.293 114.554 0.110 0.000 2.708 173 T HA -0.131 4.220 4.350 0.001 0.000 0.266 173 T C 1.881 176.565 174.700 -0.026 0.000 1.037 173 T CA 1.631 63.833 62.100 0.170 0.000 1.146 173 T CB -0.528 68.539 68.868 0.332 0.000 0.865 173 T HN 0.202 nan 8.240 nan 0.000 0.435 174 V N 1.399 121.209 119.914 -0.174 0.000 2.295 174 V HA -0.162 3.959 4.120 0.001 0.000 0.246 174 V C 2.708 178.554 176.094 -0.414 0.000 1.049 174 V CA 1.371 63.432 62.300 -0.397 0.000 1.024 174 V CB -0.880 30.553 31.823 -0.650 0.000 0.648 174 V HN 0.324 nan 8.190 nan 0.000 0.447 175 V N 0.489 120.142 119.914 -0.435 0.000 2.287 175 V HA -0.282 3.839 4.120 0.001 0.000 0.248 175 V C 2.726 178.669 176.094 -0.253 0.000 1.053 175 V CA 2.169 64.213 62.300 -0.426 0.000 1.027 175 V CB -1.313 30.173 31.823 -0.563 0.000 0.646 175 V HN 0.557 nan 8.190 nan 0.000 0.447 176 A N -0.183 122.539 122.820 -0.164 0.000 1.877 176 A HA -0.134 4.186 4.320 0.001 0.000 0.216 176 A C 2.224 179.726 177.584 -0.137 0.000 1.186 176 A CA 1.804 53.773 52.037 -0.113 0.000 0.620 176 A CB -0.601 18.380 19.000 -0.032 0.000 0.822 176 A HN 0.491 nan 8.150 nan 0.000 0.443 177 L N 0.727 121.837 121.223 -0.188 0.000 2.131 177 L HA -0.192 4.149 4.340 0.001 0.000 0.210 177 L C 2.998 179.715 176.870 -0.255 0.000 1.092 177 L CA 1.439 56.133 54.840 -0.243 0.000 0.759 177 L CB -0.551 41.310 42.059 -0.331 0.000 0.903 177 L HN 0.649 nan 8.230 nan 0.000 0.435 178 S N 0.274 115.800 115.700 -0.289 0.000 2.383 178 S HA -0.210 4.261 4.470 0.001 0.000 0.229 178 S C 1.860 176.317 174.600 -0.238 0.000 1.030 178 S CA 1.233 59.262 58.200 -0.284 0.000 1.002 178 S CB -0.663 62.354 63.200 -0.304 0.000 0.829 178 S HN 0.416 nan 8.310 nan 0.000 0.467 179 I N 1.258 121.706 120.570 -0.203 0.000 2.286 179 I HA -0.096 4.075 4.170 0.001 0.000 0.245 179 I C 2.471 178.479 176.117 -0.181 0.000 1.104 179 I CA 0.930 62.127 61.300 -0.172 0.000 1.397 179 I CB -0.527 37.397 38.000 -0.126 0.000 1.072 179 I HN 0.219 nan 8.210 nan 0.000 0.417 180 V N 0.860 120.676 119.914 -0.162 0.000 2.295 180 V HA -0.289 3.832 4.120 0.001 0.000 0.246 180 V C 2.400 178.304 176.094 -0.316 0.000 1.049 180 V CA 1.909 64.116 62.300 -0.155 0.000 1.024 180 V CB -0.583 31.207 31.823 -0.055 0.000 0.648 180 V HN 0.399 nan 8.190 nan 0.000 0.447 181 M N -0.136 119.275 119.600 -0.315 0.000 2.476 181 M HA -0.091 4.390 4.480 0.001 0.000 0.262 181 M C 2.348 178.376 176.300 -0.454 0.000 1.079 181 M CA 1.356 56.389 55.300 -0.445 0.000 1.104 181 M CB -0.459 31.993 32.600 -0.246 0.000 1.409 181 M HN 0.413 nan 8.290 nan 0.000 0.467 182 S N 0.507 115.993 115.700 -0.358 0.000 2.387 182 S HA -0.031 4.439 4.470 0.001 0.000 0.226 182 S C 1.989 176.363 174.600 -0.378 0.000 1.026 182 S CA 0.939 58.938 58.200 -0.335 0.000 0.972 182 S CB 0.100 63.143 63.200 -0.262 0.000 0.814 182 S HN 0.382 nan 8.310 nan 0.000 0.477 183 R N 0.473 120.746 120.500 -0.379 0.000 2.254 183 R HA 0.278 4.619 4.340 0.001 0.000 0.193 183 R C 0.104 176.106 176.300 -0.496 0.000 0.929 183 R CA 0.118 56.001 56.100 -0.362 0.000 1.038 183 R CB -0.723 29.424 30.300 -0.256 0.000 1.009 183 R HN 0.549 nan 8.270 nan 0.000 0.512 184 Q N 1.542 120.882 119.800 -0.767 0.000 2.437 184 Q HA -0.135 4.205 4.340 0.001 0.000 0.354 184 Q C -2.112 173.432 176.000 -0.761 0.000 1.402 184 Q CA 0.084 55.057 55.803 -1.382 0.000 1.020 184 Q CB -1.226 26.654 28.738 -1.430 0.000 1.220 184 Q HN 0.287 nan 8.270 nan 0.000 0.368 185 P HA 0.278 nan 4.420 nan 0.000 0.274 185 P C -0.368 176.843 177.300 -0.148 0.000 1.237 185 P CA -0.261 62.658 63.100 -0.301 0.000 0.793 185 P CB 1.246 32.763 31.700 -0.306 0.000 0.977 186 V N 2.058 121.727 119.914 -0.408 0.000 2.569 186 V HA 0.301 4.422 4.120 0.001 0.000 0.301 186 V C -0.658 175.164 176.094 -0.454 0.000 1.044 186 V CA -0.258 61.920 62.300 -0.202 0.000 0.874 186 V CB 1.256 33.089 31.823 0.016 0.000 1.002 186 V HN 0.324 nan 8.190 nan 0.000 0.424 187 F N 5.101 125.151 119.950 0.166 0.000 2.366 187 F HA 0.483 5.010 4.527 0.001 0.000 0.357 187 F C -2.221 173.738 175.800 0.266 0.000 1.107 187 F CA -2.684 55.398 58.000 0.135 0.000 1.208 187 F CB 0.996 40.022 39.000 0.043 0.000 1.464 187 F HN 0.296 nan 8.300 nan 0.000 0.501 188 P HA -0.048 nan 4.420 nan 0.000 0.264 188 P C -0.341 177.190 177.300 0.386 0.000 1.173 188 P CA 0.503 63.776 63.100 0.288 0.000 0.761 188 P CB 0.665 32.477 31.700 0.188 0.000 0.794 189 L N 5.104 126.480 121.223 0.255 0.000 2.343 189 L HA 0.477 4.818 4.340 0.001 0.000 0.275 189 L C -1.694 175.250 176.870 0.123 0.000 1.056 189 L CA -2.329 52.605 54.840 0.157 0.000 0.804 189 L CB 0.918 43.037 42.059 0.100 0.000 1.203 189 L HN 0.283 nan 8.230 nan 0.000 0.440 190 P HA 0.043 nan 4.420 nan 0.000 0.269 190 P C -0.120 177.198 177.300 0.029 0.000 1.215 190 P CA -0.222 62.903 63.100 0.042 0.000 0.780 190 P CB 0.952 32.642 31.700 -0.017 0.000 0.898 191 E N 1.557 121.776 120.200 0.032 0.000 2.086 191 E HA -0.260 4.090 4.350 0.001 0.000 0.200 191 E C 2.067 178.678 176.600 0.019 0.000 1.012 191 E CA 2.194 58.614 56.400 0.033 0.000 0.812 191 E CB -0.599 29.119 29.700 0.030 0.000 0.743 191 E HN 0.566 nan 8.360 nan 0.000 0.453 192 R N 0.368 120.865 120.500 -0.006 0.000 2.200 192 R HA -0.040 4.301 4.340 0.001 0.000 0.234 192 R C 1.907 178.190 176.300 -0.028 0.000 1.127 192 R CA 1.507 57.594 56.100 -0.021 0.000 0.989 192 R CB -0.258 30.013 30.300 -0.048 0.000 0.869 192 R HN 0.174 nan 8.270 nan 0.000 0.459 193 A N 1.130 123.934 122.820 -0.026 0.000 2.169 193 A HA 0.172 4.493 4.320 0.001 0.000 0.210 193 A C 0.244 177.855 177.584 0.044 0.000 1.168 193 A CA -0.451 51.581 52.037 -0.007 0.000 0.813 193 A CB 0.116 19.114 19.000 -0.002 0.000 0.861 193 A HN 0.055 nan 8.150 nan 0.000 0.481 194 R N 0.346 120.882 120.500 0.060 0.000 2.523 194 R HA 0.065 4.405 4.340 0.001 0.000 0.281 194 R C 0.073 176.436 176.300 0.105 0.000 0.969 194 R CA 0.646 56.801 56.100 0.092 0.000 1.093 194 R CB -0.299 30.056 30.300 0.092 0.000 0.917 194 R HN 0.422 nan 8.270 nan 0.000 0.408 195 V N 1.015 121.008 119.914 0.132 0.000 2.446 195 V HA 0.205 4.326 4.120 0.001 0.000 0.257 195 V C -1.570 174.623 176.094 0.165 0.000 1.036 195 V CA -1.253 61.145 62.300 0.162 0.000 1.196 195 V CB 1.149 33.081 31.823 0.181 0.000 1.446 195 V HN 0.532 nan 8.190 nan 0.000 0.558 196 P HA -0.157 nan 4.420 nan 0.000 0.221 196 P C 1.433 178.869 177.300 0.227 0.000 1.150 196 P CA 1.542 64.803 63.100 0.269 0.000 0.800 196 P CB 0.351 32.177 31.700 0.211 0.000 0.787 197 E N 0.932 121.225 120.200 0.155 0.000 2.333 197 E HA -0.163 4.188 4.350 0.001 0.000 0.200 197 E C 1.857 178.474 176.600 0.028 0.000 1.010 197 E CA 0.824 57.287 56.400 0.105 0.000 0.841 197 E CB -1.248 28.518 29.700 0.110 0.000 0.757 197 E HN 0.349 nan 8.360 nan 0.000 0.508 198 L N -0.382 120.821 121.223 -0.033 0.000 2.551 198 L HA -0.064 4.276 4.340 0.001 0.000 0.228 198 L C 1.539 178.261 176.870 -0.247 0.000 1.153 198 L CA 0.701 55.426 54.840 -0.191 0.000 0.851 198 L CB -0.336 41.560 42.059 -0.271 0.000 0.959 198 L HN 0.040 nan 8.230 nan 0.000 0.451 199 Y N -0.544 119.777 120.300 0.035 0.000 2.500 199 Y HA 0.073 4.624 4.550 0.001 0.000 0.284 199 Y C 1.123 177.036 175.900 0.021 0.000 1.118 199 Y CA -0.650 57.472 58.100 0.038 0.000 1.241 199 Y CB 0.130 38.625 38.460 0.057 0.000 1.171 199 Y HN 0.056 nan 8.280 nan 0.000 0.540 200 E N 1.779 122.082 120.200 0.171 0.000 2.175 200 E HA 0.075 4.425 4.350 0.001 0.000 0.247 200 E C -0.672 175.960 176.600 0.054 0.000 1.259 200 E CA 0.553 57.012 56.400 0.098 0.000 0.969 200 E CB -0.318 29.427 29.700 0.076 0.000 1.051 200 E HN 0.075 nan 8.360 nan 0.000 0.448 201 T N 1.631 116.218 114.554 0.055 0.000 3.159 201 T HA 0.027 4.377 4.350 0.001 0.000 0.343 201 T C 0.113 174.831 174.700 0.031 0.000 1.364 201 T CA -0.916 61.200 62.100 0.027 0.000 1.102 201 T CB 1.159 70.030 68.868 0.006 0.000 1.263 201 T HN 0.459 nan 8.240 nan 0.000 0.477 202 D N 0.945 121.357 120.400 0.020 0.000 2.327 202 D HA 0.009 4.649 4.640 0.001 0.000 0.205 202 D C 0.886 177.196 176.300 0.016 0.000 0.989 202 D CA 0.257 54.269 54.000 0.020 0.000 0.873 202 D CB -0.002 40.808 40.800 0.017 0.000 0.955 202 D HN 0.310 nan 8.370 nan 0.000 0.515 203 V N 3.901 123.820 119.914 0.008 0.000 2.694 203 V HA 0.059 4.179 4.120 0.001 0.000 0.306 203 V C -1.762 174.338 176.094 0.010 0.000 1.054 203 V CA -0.814 61.488 62.300 0.004 0.000 1.161 203 V CB 0.339 32.155 31.823 -0.012 0.000 0.916 203 V HN 0.175 nan 8.190 nan 0.000 0.490 204 P HA 0.185 nan 4.420 nan 0.000 0.271 204 P C -2.504 174.807 177.300 0.018 0.000 1.220 204 P CA -1.372 61.740 63.100 0.020 0.000 0.768 204 P CB 0.202 31.915 31.700 0.020 0.000 0.848 205 P HA 0.045 nan 4.420 nan 0.000 0.266 205 P C -0.061 177.254 177.300 0.025 0.000 1.215 205 P CA 0.161 63.278 63.100 0.027 0.000 0.763 205 P CB 0.392 32.122 31.700 0.049 0.000 0.806 206 R N 3.412 123.922 120.500 0.015 0.000 3.256 206 R HA 0.352 4.693 4.340 0.001 0.000 0.263 206 R C 0.291 176.606 176.300 0.025 0.000 1.388 206 R CA -0.836 55.277 56.100 0.022 0.000 1.580 206 R CB 0.374 30.685 30.300 0.018 0.000 1.255 206 R HN 0.346 nan 8.270 nan 0.000 0.640 207 R N 2.084 122.603 120.500 0.032 0.000 2.643 207 R HA 0.080 4.420 4.340 0.001 0.000 0.270 207 R C -0.532 175.791 176.300 0.039 0.000 1.061 207 R CA -0.239 55.881 56.100 0.034 0.000 1.107 207 R CB 0.791 31.117 30.300 0.043 0.000 0.999 207 R HN 0.490 nan 8.270 nan 0.000 0.460 208 R N 2.086 122.608 120.500 0.036 0.000 2.368 208 R HA 0.295 4.635 4.340 0.001 0.000 0.302 208 R C -0.364 175.959 176.300 0.038 0.000 1.002 208 R CA -0.222 55.905 56.100 0.045 0.000 0.929 208 R CB 1.380 31.713 30.300 0.055 0.000 1.073 208 R HN 0.832 nan 8.270 nan 0.000 0.464 209 G N 1.621 110.448 108.800 0.045 0.000 2.537 209 G HA2 0.492 4.453 3.960 0.001 0.000 0.297 209 G HA3 0.492 4.453 3.960 0.001 0.000 0.297 209 G C -0.734 174.183 174.900 0.029 0.000 1.310 209 G CA -0.558 44.569 45.100 0.044 0.000 1.027 209 G HN 0.813 nan 8.290 nan 0.000 0.505 210 A N -0.211 122.626 122.820 0.029 0.000 2.555 210 A HA 0.277 4.597 4.320 0.001 0.000 0.233 210 A C 1.758 179.337 177.584 -0.009 0.000 1.060 210 A CA 0.056 52.091 52.037 -0.004 0.000 0.759 210 A CB 0.297 19.296 19.000 -0.000 0.000 0.995 210 A HN 0.588 nan 8.150 nan 0.000 0.506 211 K N 2.205 122.572 120.400 -0.055 0.000 2.015 211 K HA -0.196 4.124 4.320 0.001 0.000 0.216 211 K C 1.655 178.228 176.600 -0.044 0.000 1.052 211 K CA 2.166 58.415 56.287 -0.064 0.000 0.937 211 K CB -0.848 31.583 32.500 -0.115 0.000 0.719 211 K HN 0.846 nan 8.250 nan 0.000 0.446 212 G N 0.231 108.979 108.800 -0.088 0.000 3.383 212 G HA2 0.383 4.343 3.960 0.001 0.000 0.251 212 G HA3 0.383 4.343 3.960 0.001 0.000 0.251 212 G C 0.153 175.179 174.900 0.210 0.000 1.203 212 G CA 0.351 45.444 45.100 -0.012 0.000 0.852 212 G HN 0.553 nan 8.290 nan 0.000 0.531 213 G N -1.636 107.263 108.800 0.165 0.000 2.692 213 G HA2 0.434 4.394 3.960 0.001 0.000 0.686 213 G HA3 0.434 4.394 3.960 0.001 0.000 0.686 213 G C 0.094 175.140 174.900 0.242 0.000 1.243 213 G CA -0.407 44.803 45.100 0.184 0.000 0.782 213 G HN 1.033 nan 8.290 nan 0.000 0.625 214 G N -0.247 108.655 108.800 0.169 0.000 2.400 214 G HA2 0.902 4.862 3.960 0.001 0.000 0.333 214 G HA3 0.902 4.862 3.960 0.001 0.000 0.333 214 G C 0.335 175.360 174.900 0.210 0.000 1.143 214 G CA 0.351 45.573 45.100 0.203 0.000 0.914 214 G HN 1.655 nan 8.290 nan 0.000 0.480 215 G N 0.495 109.491 108.800 0.326 0.000 2.388 215 G HA2 0.439 4.400 3.960 0.001 0.000 0.330 215 G HA3 0.439 4.400 3.960 0.001 0.000 0.330 215 G C 0.925 175.816 174.900 -0.015 0.000 1.142 215 G CA -0.664 44.491 45.100 0.092 0.000 0.908 215 G HN 0.800 nan 8.290 nan 0.000 0.473 216 W N 2.933 124.232 121.300 -0.003 0.000 2.359 216 W HA -0.162 4.498 4.660 0.001 0.000 0.275 216 W C 0.895 177.374 176.519 -0.067 0.000 1.217 216 W CA 0.416 57.752 57.345 -0.014 0.000 1.196 216 W CB -0.740 28.704 29.460 -0.027 0.000 1.129 216 W HN 0.343 nan 8.180 nan 0.000 0.566 217 I N 1.162 121.045 120.570 -1.144 0.000 2.090 217 I HA -0.259 3.912 4.170 0.001 0.000 0.236 217 I C 2.549 178.325 176.117 -0.568 0.000 1.064 217 I CA 1.812 62.406 61.300 -1.177 0.000 1.324 217 I CB -1.584 35.520 38.000 -1.492 0.000 1.044 217 I HN -0.252 nan 8.210 nan 0.000 0.399 218 F N 0.748 120.573 119.950 -0.208 0.000 2.120 218 F HA -0.251 4.277 4.527 0.001 0.000 0.300 218 F C 2.397 178.196 175.800 -0.001 0.000 1.095 218 F CA 1.800 59.761 58.000 -0.066 0.000 1.249 218 F CB -1.312 37.675 39.000 -0.020 0.000 0.995 218 F HN 0.151 nan 8.300 nan 0.000 0.480 219 D N 0.036 120.545 120.400 0.182 0.000 2.116 219 D HA -0.200 4.441 4.640 0.001 0.000 0.193 219 D C 2.228 178.605 176.300 0.127 0.000 0.998 219 D CA 1.594 55.690 54.000 0.159 0.000 0.836 219 D CB -0.261 40.638 40.800 0.166 0.000 0.951 219 D HN 0.167 nan 8.370 nan 0.000 0.449 220 A N -0.109 122.774 122.820 0.105 0.000 1.873 220 A HA -0.084 4.236 4.320 0.001 0.000 0.215 220 A C 2.134 179.769 177.584 0.084 0.000 1.186 220 A CA 1.329 53.429 52.037 0.107 0.000 0.616 220 A CB -0.974 18.109 19.000 0.138 0.000 0.823 220 A HN 0.378 nan 8.150 nan 0.000 0.442 221 L N 0.577 121.830 121.223 0.050 0.000 2.043 221 L HA -0.222 4.118 4.340 0.001 0.000 0.212 221 L C 1.898 178.844 176.870 0.127 0.000 1.075 221 L CA 2.922 57.803 54.840 0.067 0.000 0.752 221 L CB -0.831 41.264 42.059 0.061 0.000 0.891 221 L HN 0.522 nan 8.230 nan 0.000 0.432 222 D N -0.873 119.625 120.400 0.163 0.000 2.097 222 D HA -0.206 4.434 4.640 0.001 0.000 0.195 222 D C 2.252 178.712 176.300 0.266 0.000 0.989 222 D CA 1.512 55.647 54.000 0.226 0.000 0.827 222 D CB -0.030 40.899 40.800 0.215 0.000 0.966 222 D HN 0.340 nan 8.370 nan 0.000 0.456 223 R N 0.157 120.751 120.500 0.157 0.000 2.127 223 R HA -0.083 4.257 4.340 0.001 0.000 0.238 223 R C 2.346 178.743 176.300 0.162 0.000 1.134 223 R CA 1.185 57.355 56.100 0.116 0.000 0.975 223 R CB -0.373 29.972 30.300 0.075 0.000 0.865 223 R HN 0.189 nan 8.270 nan 0.000 0.447 224 A N 1.445 124.354 122.820 0.148 0.000 1.873 224 A HA -0.092 4.229 4.320 0.001 0.000 0.215 224 A C 2.214 179.907 177.584 0.181 0.000 1.186 224 A CA 0.981 53.099 52.037 0.134 0.000 0.616 224 A CB -0.510 18.544 19.000 0.090 0.000 0.823 224 A HN 0.159 nan 8.150 nan 0.000 0.442 225 L N -1.372 119.967 121.223 0.194 0.000 2.042 225 L HA -0.248 4.092 4.340 0.001 0.000 0.210 225 L C 2.562 179.534 176.870 0.170 0.000 1.076 225 L CA 1.728 56.684 54.840 0.194 0.000 0.749 225 L CB -0.713 41.427 42.059 0.135 0.000 0.893 225 L HN 0.475 nan 8.230 nan 0.000 0.432 226 H N -0.812 118.325 119.070 0.112 0.000 2.457 226 H HA -0.080 4.477 4.556 0.001 0.000 0.294 226 H C 2.163 177.543 175.328 0.085 0.000 1.064 226 H CA 1.235 57.336 56.048 0.088 0.000 1.330 226 H CB -0.320 29.491 29.762 0.081 0.000 1.395 226 H HN 0.307 nan 8.280 nan 0.000 0.541 227 G N -0.567 108.364 108.800 0.218 0.000 2.394 227 G HA2 -0.305 3.655 3.960 0.001 0.000 0.214 227 G HA3 -0.305 3.655 3.960 0.001 0.000 0.214 227 G C 1.498 176.492 174.900 0.157 0.000 1.176 227 G CA 0.565 45.759 45.100 0.156 0.000 0.786 227 G HN 0.447 nan 8.290 nan 0.000 0.533 228 Y N 1.244 121.577 120.300 0.056 0.000 2.384 228 Y HA -0.118 4.433 4.550 0.001 0.000 0.289 228 Y C 2.702 178.674 175.900 0.120 0.000 1.152 228 Y CA 1.710 59.832 58.100 0.037 0.000 1.258 228 Y CB -0.170 38.320 38.460 0.050 0.000 0.979 228 Y HN 0.306 nan 8.280 nan 0.000 0.549 229 Q N 0.675 120.500 119.800 0.041 0.000 2.230 229 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 229 Q C 1.672 177.698 176.000 0.044 0.000 0.963 229 Q CA 1.594 57.392 55.803 -0.008 0.000 0.866 229 Q CB -0.081 28.600 28.738 -0.095 0.000 0.931 229 Q HN 0.426 nan 8.270 nan 0.000 0.452 230 K N -0.582 119.832 120.400 0.023 0.000 2.400 230 K HA 0.124 4.445 4.320 0.001 0.000 0.194 230 K C 0.159 176.744 176.600 -0.025 0.000 1.033 230 K CA -0.157 56.135 56.287 0.008 0.000 1.021 230 K CB 0.184 32.696 32.500 0.020 0.000 0.808 230 K HN 0.204 nan 8.250 nan 0.000 0.505 231 L N 0.318 121.472 121.223 -0.115 0.000 2.473 231 L HA -0.067 4.274 4.340 0.001 0.000 0.265 231 L C 1.743 178.510 176.870 -0.171 0.000 1.243 231 L CA 0.121 54.830 54.840 -0.217 0.000 0.822 231 L CB 0.453 42.259 42.059 -0.421 0.000 1.101 231 L HN 0.049 nan 8.230 nan 0.000 0.507 232 S N 0.092 115.704 115.700 -0.146 0.000 2.501 232 S HA 0.081 4.552 4.470 0.001 0.000 0.220 232 S C -0.007 174.552 174.600 -0.069 0.000 0.997 232 S CA -0.026 58.132 58.200 -0.070 0.000 0.919 232 S CB 0.097 63.264 63.200 -0.054 0.000 0.778 232 S HN 0.418 nan 8.310 nan 0.000 0.523 233 V N 0.845 120.644 119.914 -0.192 0.000 2.612 233 V HA 0.633 4.753 4.120 0.001 0.000 0.301 233 V C -1.809 174.119 176.094 -0.275 0.000 1.059 233 V CA -0.935 61.291 62.300 -0.125 0.000 0.886 233 V CB 1.053 32.824 31.823 -0.085 0.000 1.007 233 V HN 0.271 nan 8.190 nan 0.000 0.426 234 H N 5.638 124.644 119.070 -0.107 0.000 2.697 234 H HA 0.550 5.107 4.556 0.001 0.000 0.270 234 H C -2.562 172.783 175.328 0.029 0.000 1.188 234 H CA -1.898 54.123 56.048 -0.045 0.000 1.322 234 H CB 1.212 30.852 29.762 -0.203 0.000 1.405 234 H HN 0.620 nan 8.280 nan 0.000 0.502 235 P HA -0.074 nan 4.420 nan 0.000 0.263 235 P C -0.199 177.092 177.300 -0.014 0.000 1.195 235 P CA 0.148 63.147 63.100 -0.168 0.000 0.762 235 P CB 0.493 32.023 31.700 -0.284 0.000 0.799 236 F N -0.016 120.004 119.950 0.117 0.000 2.748 236 F HA -0.247 4.280 4.527 0.001 0.000 0.370 236 F C 1.949 177.905 175.800 0.260 0.000 0.620 236 F CA 1.290 59.381 58.000 0.152 0.000 1.233 236 F CB -2.023 37.010 39.000 0.056 0.000 1.708 236 F HN 0.357 nan 8.300 nan 0.000 0.298 237 R N 1.272 121.964 120.500 0.320 0.000 2.092 237 R HA -0.109 4.232 4.340 0.001 0.000 0.231 237 R C 2.280 178.653 176.300 0.122 0.000 1.119 237 R CA 1.839 58.071 56.100 0.219 0.000 0.970 237 R CB -0.282 30.088 30.300 0.117 0.000 0.864 237 R HN 0.468 nan 8.270 nan 0.000 0.440 238 R N 0.204 120.766 120.500 0.103 0.000 2.096 238 R HA -0.174 4.166 4.340 0.001 0.000 0.240 238 R C 2.100 178.455 176.300 0.090 0.000 1.139 238 R CA 1.913 58.049 56.100 0.061 0.000 0.952 238 R CB -0.490 29.842 30.300 0.053 0.000 0.854 238 R HN 0.355 nan 8.270 nan 0.000 0.436 239 A N 0.670 123.602 122.820 0.187 0.000 1.902 239 A HA -0.120 4.200 4.320 0.001 0.000 0.217 239 A C 2.401 180.055 177.584 0.116 0.000 1.181 239 A CA 1.772 53.935 52.037 0.210 0.000 0.623 239 A CB -0.862 18.354 19.000 0.360 0.000 0.818 239 A HN 0.593 nan 8.150 nan 0.000 0.443 240 A N 0.025 122.895 122.820 0.083 0.000 1.883 240 A HA -0.232 4.089 4.320 0.001 0.000 0.217 240 A C 1.917 179.377 177.584 -0.207 0.000 1.186 240 A CA 1.791 53.646 52.037 -0.303 0.000 0.624 240 A CB -0.656 18.169 19.000 -0.292 0.000 0.822 240 A HN 0.665 nan 8.150 nan 0.000 0.444 241 E N -0.256 119.882 120.200 -0.105 0.000 2.038 241 E HA -0.192 4.158 4.350 0.001 0.000 0.195 241 E C 1.954 178.514 176.600 -0.067 0.000 1.000 241 E CA 1.431 57.771 56.400 -0.099 0.000 0.803 241 E CB -0.411 29.243 29.700 -0.076 0.000 0.750 241 E HN 0.716 nan 8.360 nan 0.000 0.448 242 I N 0.982 121.536 120.570 -0.026 0.000 2.264 242 I HA -0.263 3.908 4.170 0.001 0.000 0.248 242 I C 2.451 178.571 176.117 0.006 0.000 1.111 242 I CA 0.819 62.121 61.300 0.003 0.000 1.382 242 I CB -0.326 37.693 38.000 0.032 0.000 1.060 242 I HN 0.037 nan 8.210 nan 0.000 0.418 243 R N 0.984 121.469 120.500 -0.026 0.000 2.105 243 R HA -0.131 4.209 4.340 0.001 0.000 0.239 243 R C 2.294 178.594 176.300 -0.001 0.000 1.135 243 R CA 1.639 57.724 56.100 -0.026 0.000 0.967 243 R CB -0.892 29.326 30.300 -0.136 0.000 0.861 243 R HN 0.427 nan 8.270 nan 0.000 0.442 244 A N 0.930 123.714 122.820 -0.061 0.000 1.874 244 A HA -0.085 4.235 4.320 0.001 0.000 0.214 244 A C 2.199 179.824 177.584 0.068 0.000 1.189 244 A CA 0.780 52.793 52.037 -0.040 0.000 0.615 244 A CB -0.528 18.388 19.000 -0.140 0.000 0.830 244 A HN 0.215 nan 8.150 nan 0.000 0.443 245 L N 0.403 121.642 121.223 0.027 0.000 2.013 245 L HA -0.224 4.116 4.340 0.001 0.000 0.212 245 L C 1.663 178.590 176.870 0.094 0.000 1.073 245 L CA 2.681 57.546 54.840 0.042 0.000 0.753 245 L CB -0.679 41.389 42.059 0.014 0.000 0.890 245 L HN 0.377 nan 8.230 nan 0.000 0.432 246 D N -1.407 119.051 120.400 0.097 0.000 2.117 246 D HA -0.248 4.392 4.640 0.001 0.000 0.198 246 D C 1.815 178.198 176.300 0.140 0.000 0.982 246 D CA 1.542 55.603 54.000 0.102 0.000 0.828 246 D CB -0.482 40.369 40.800 0.085 0.000 0.967 246 D HN 0.586 nan 8.370 nan 0.000 0.464 247 W N 1.791 123.092 121.300 0.002 0.000 2.321 247 W HA -0.161 4.499 4.660 0.001 0.000 0.306 247 W C 2.163 178.728 176.519 0.077 0.000 1.217 247 W CA 1.237 58.589 57.345 0.010 0.000 1.257 247 W CB -0.330 29.111 29.460 -0.032 0.000 1.145 247 W HN -0.082 nan 8.180 nan 0.000 0.509 248 L N -0.330 121.116 121.223 0.372 0.000 2.027 248 L HA -0.220 4.121 4.340 0.001 0.000 0.206 248 L C 2.429 179.567 176.870 0.448 0.000 1.074 248 L CA 1.095 56.178 54.840 0.405 0.000 0.745 248 L CB -1.078 41.103 42.059 0.203 0.000 0.898 248 L HN 0.000 nan 8.230 nan 0.000 0.433 249 L N -0.379 121.000 121.223 0.261 0.000 2.265 249 L HA -0.190 4.151 4.340 0.001 0.000 0.215 249 L C 2.301 179.218 176.870 0.078 0.000 1.117 249 L CA 1.121 56.077 54.840 0.193 0.000 0.782 249 L CB -0.410 41.716 42.059 0.111 0.000 0.914 249 L HN 0.348 nan 8.230 nan 0.000 0.441 250 E N -0.170 120.015 120.200 -0.024 0.000 2.250 250 E HA -0.064 4.286 4.350 0.001 0.000 0.192 250 E C 1.672 178.117 176.600 -0.259 0.000 0.986 250 E CA 0.402 56.708 56.400 -0.156 0.000 0.849 250 E CB 0.207 29.751 29.700 -0.260 0.000 0.797 250 E HN 0.442 nan 8.360 nan 0.000 0.482 251 R N 0.892 121.245 120.500 -0.244 0.000 2.432 251 R HA 0.107 4.448 4.340 0.001 0.000 0.260 251 R C 0.415 176.712 176.300 -0.006 0.000 0.935 251 R CA -0.186 55.797 56.100 -0.195 0.000 1.080 251 R CB 0.310 30.370 30.300 -0.400 0.000 1.155 251 R HN 0.068 nan 8.270 nan 0.000 0.531 252 Q N 1.710 121.378 119.800 -0.219 0.000 2.269 252 Q HA 0.099 4.440 4.340 0.001 0.000 0.300 252 Q C -0.341 175.355 176.000 -0.507 0.000 1.070 252 Q CA -0.184 55.104 55.803 -0.860 0.000 0.957 252 Q CB 0.730 28.938 28.738 -0.883 0.000 1.131 252 Q HN 0.244 nan 8.270 nan 0.000 0.377 253 A N 3.481 125.953 122.820 -0.579 0.000 2.429 253 A HA 0.281 4.602 4.320 0.001 0.000 0.242 253 A C 1.174 178.555 177.584 -0.338 0.000 1.088 253 A CA 0.245 52.069 52.037 -0.355 0.000 0.784 253 A CB 0.036 18.853 19.000 -0.304 0.000 1.038 253 A HN 1.047 nan 8.150 nan 0.000 0.501 254 G N -0.224 108.428 108.800 -0.246 0.000 2.422 254 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 254 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 254 G C 0.650 175.455 174.900 -0.159 0.000 1.140 254 G CA 1.299 46.285 45.100 -0.191 0.000 0.775 254 G HN 0.897 nan 8.290 nan 0.000 0.545 255 D N -1.233 119.074 120.400 -0.154 0.000 2.349 255 D HA 0.280 4.921 4.640 0.001 0.000 0.224 255 D C 1.694 177.902 176.300 -0.154 0.000 1.029 255 D CA 0.724 54.674 54.000 -0.083 0.000 0.879 255 D CB -0.277 40.548 40.800 0.041 0.000 0.906 255 D HN 0.428 nan 8.370 nan 0.000 0.528 256 G N -0.298 108.312 108.800 -0.318 0.000 2.194 256 G HA2 -0.299 3.661 3.960 0.001 0.000 0.236 256 G HA3 -0.299 3.661 3.960 0.001 0.000 0.236 256 G C 0.638 175.035 174.900 -0.838 0.000 0.987 256 G CA 0.409 45.275 45.100 -0.390 0.000 0.635 256 G HN 0.775 nan 8.290 nan 0.000 0.520 257 S N -1.002 113.980 115.700 -1.197 0.000 2.546 257 S HA 0.684 5.155 4.470 0.001 0.000 0.265 257 S C -0.055 173.993 174.600 -0.919 0.000 1.190 257 S CA -0.178 56.927 58.200 -1.824 0.000 1.014 257 S CB 1.050 63.262 63.200 -1.647 0.000 1.087 257 S HN 0.704 nan 8.310 nan 0.000 0.525 258 W N -0.017 121.025 121.300 -0.429 0.000 2.534 258 W HA 0.461 5.122 4.660 0.001 0.000 0.292 258 W C 0.630 177.168 176.519 0.031 0.000 1.027 258 W CA -0.081 57.226 57.345 -0.063 0.000 1.304 258 W CB 0.862 30.357 29.460 0.058 0.000 1.187 258 W HN 1.316 nan 8.180 nan 0.000 0.356 259 G N 0.896 109.810 108.800 0.191 0.000 2.199 259 G HA2 -0.195 3.765 3.960 0.001 0.000 0.254 259 G HA3 -0.195 3.765 3.960 0.001 0.000 0.254 259 G C 1.009 175.991 174.900 0.137 0.000 0.982 259 G CA 0.511 45.654 45.100 0.070 0.000 0.632 259 G HN 1.588 nan 8.290 nan 0.000 0.529 260 G N -0.493 108.401 108.800 0.156 0.000 2.148 260 G HA2 -0.089 3.872 3.960 0.001 0.000 0.254 260 G HA3 -0.089 3.872 3.960 0.001 0.000 0.254 260 G C 0.446 175.588 174.900 0.404 0.000 0.981 260 G CA 1.067 46.332 45.100 0.275 0.000 0.670 260 G HN 2.180 nan 8.290 nan 0.000 0.528 261 I N -4.143 116.637 120.570 0.350 0.000 2.740 261 I HA 0.630 4.800 4.170 0.001 0.000 0.303 261 I C 1.215 177.581 176.117 0.414 0.000 1.044 261 I CA -1.142 60.374 61.300 0.359 0.000 1.064 261 I CB 1.609 39.756 38.000 0.245 0.000 1.249 261 I HN -0.055 nan 8.210 nan 0.000 0.433 262 Q N 3.077 123.058 119.800 0.301 0.000 2.002 262 Q HA -0.094 4.247 4.340 0.001 0.000 0.204 262 Q C -0.958 174.990 176.000 -0.088 0.000 0.988 262 Q CA 2.563 58.412 55.803 0.076 0.000 0.843 262 Q CB -1.354 27.257 28.738 -0.212 0.000 0.908 262 Q HN 0.667 nan 8.270 nan 0.000 0.420 263 P HA -0.169 nan 4.420 nan 0.000 0.208 263 P C -1.554 175.785 177.300 0.065 0.000 1.180 263 P CA 2.764 65.788 63.100 -0.127 0.000 0.935 263 P CB -1.308 30.420 31.700 0.045 0.000 0.785 264 P HA -0.229 nan 4.420 nan 0.000 0.216 264 P C 1.540 179.047 177.300 0.345 0.000 1.150 264 P CA 1.580 64.888 63.100 0.345 0.000 0.843 264 P CB -0.584 31.309 31.700 0.322 0.000 0.787 265 W N 0.830 122.289 121.300 0.265 0.000 2.317 265 W HA -0.201 4.460 4.660 0.001 0.000 0.318 265 W C 2.095 178.758 176.519 0.241 0.000 1.227 265 W CA 1.074 58.643 57.345 0.374 0.000 1.269 265 W CB -1.642 28.062 29.460 0.407 0.000 1.155 265 W HN -0.149 nan 8.180 nan 0.000 0.484 266 F N -0.609 119.376 119.950 0.059 0.000 2.102 266 F HA -0.213 4.314 4.527 0.001 0.000 0.298 266 F C 2.299 178.028 175.800 -0.119 0.000 1.105 266 F CA 1.795 59.702 58.000 -0.156 0.000 1.239 266 F CB -1.631 37.186 39.000 -0.305 0.000 0.991 266 F HN -0.165 nan 8.300 nan 0.000 0.474 267 Y N -0.325 120.124 120.300 0.247 0.000 2.293 267 Y HA -0.036 4.514 4.550 0.001 0.000 0.291 267 Y C 2.468 178.340 175.900 -0.046 0.000 1.137 267 Y CA 0.466 58.603 58.100 0.062 0.000 1.202 267 Y CB -1.503 36.985 38.460 0.048 0.000 0.990 267 Y HN 0.020 nan 8.280 nan 0.000 0.537 268 A N 0.145 122.952 122.820 -0.021 0.000 1.902 268 A HA -0.138 4.183 4.320 0.001 0.000 0.217 268 A C 2.295 179.761 177.584 -0.197 0.000 1.181 268 A CA 1.463 53.276 52.037 -0.373 0.000 0.623 268 A CB -1.070 17.189 19.000 -1.235 0.000 0.818 268 A HN 0.459 nan 8.150 nan 0.000 0.443 269 L N -0.537 120.664 121.223 -0.037 0.000 2.017 269 L HA -0.185 4.156 4.340 0.001 0.000 0.208 269 L C 2.513 179.457 176.870 0.123 0.000 1.073 269 L CA 1.353 56.222 54.840 0.048 0.000 0.745 269 L CB -0.513 41.531 42.059 -0.026 0.000 0.894 269 L HN 0.393 nan 8.230 nan 0.000 0.432 270 I N -0.169 120.448 120.570 0.079 0.000 2.163 270 I HA -0.320 3.850 4.170 0.001 0.000 0.243 270 I C 2.837 179.012 176.117 0.097 0.000 1.085 270 I CA 1.238 62.589 61.300 0.084 0.000 1.347 270 I CB -0.591 37.467 38.000 0.095 0.000 1.044 270 I HN 0.223 nan 8.210 nan 0.000 0.408 271 A N 1.162 124.020 122.820 0.063 0.000 1.892 271 A HA -0.195 4.125 4.320 0.001 0.000 0.218 271 A C 2.308 179.916 177.584 0.040 0.000 1.188 271 A CA 1.629 53.680 52.037 0.023 0.000 0.631 271 A CB -0.962 18.018 19.000 -0.034 0.000 0.822 271 A HN 0.416 nan 8.150 nan 0.000 0.447 272 L N -1.025 120.248 121.223 0.084 0.000 2.141 272 L HA -0.168 4.173 4.340 0.001 0.000 0.209 272 L C 2.557 179.487 176.870 0.100 0.000 1.094 272 L CA 1.656 56.575 54.840 0.132 0.000 0.763 272 L CB -0.350 41.892 42.059 0.306 0.000 0.908 272 L HN 0.377 nan 8.230 nan 0.000 0.437 273 K N 0.888 121.367 120.400 0.131 0.000 2.097 273 K HA -0.130 4.191 4.320 0.001 0.000 0.205 273 K C 1.850 178.471 176.600 0.034 0.000 1.050 273 K CA 1.403 57.706 56.287 0.028 0.000 0.938 273 K CB -0.135 32.387 32.500 0.037 0.000 0.718 273 K HN 0.055 nan 8.250 nan 0.000 0.442 274 I N 0.927 121.542 120.570 0.076 0.000 2.394 274 I HA -0.160 4.010 4.170 0.001 0.000 0.251 274 I C 1.447 177.570 176.117 0.011 0.000 1.136 274 I CA 1.107 62.448 61.300 0.068 0.000 1.425 274 I CB -0.712 37.316 38.000 0.047 0.000 1.079 274 I HN 0.150 nan 8.210 nan 0.000 0.425 275 L N 0.755 121.978 121.223 -0.000 0.000 2.688 275 L HA 0.104 4.444 4.340 0.001 0.000 0.234 275 L C -0.123 176.735 176.870 -0.020 0.000 1.192 275 L CA -0.069 54.763 54.840 -0.014 0.000 0.984 275 L CB -0.517 41.535 42.059 -0.012 0.000 1.232 275 L HN 0.211 nan 8.230 nan 0.000 0.465 276 D N 1.047 121.426 120.400 -0.035 0.000 2.686 276 D HA -0.230 4.411 4.640 0.001 0.000 0.235 276 D C 0.540 176.799 176.300 -0.068 0.000 1.160 276 D CA 1.076 55.039 54.000 -0.062 0.000 0.645 276 D CB -0.538 40.237 40.800 -0.042 0.000 1.039 276 D HN 0.445 nan 8.370 nan 0.000 0.423 277 M N -0.453 119.095 119.600 -0.087 0.000 2.778 277 M HA 0.022 4.503 4.480 0.001 0.000 0.359 277 M C 1.730 177.919 176.300 -0.184 0.000 1.216 277 M CA -0.077 55.200 55.300 -0.039 0.000 0.935 277 M CB 0.506 33.126 32.600 0.033 0.000 1.330 277 M HN 0.011 nan 8.290 nan 0.000 0.516 278 T N -2.602 111.674 114.554 -0.464 0.000 3.007 278 T HA -0.082 4.268 4.350 0.001 0.000 0.270 278 T C 1.322 175.735 174.700 -0.478 0.000 1.107 278 T CA 0.995 62.474 62.100 -1.035 0.000 1.118 278 T CB -0.072 68.271 68.868 -0.875 0.000 0.889 278 T HN 0.482 nan 8.240 nan 0.000 0.506 279 Q N 0.283 119.979 119.800 -0.173 0.000 2.201 279 Q HA 0.159 4.499 4.340 0.001 0.000 0.217 279 Q C -0.210 175.829 176.000 0.064 0.000 0.860 279 Q CA -0.275 55.507 55.803 -0.035 0.000 0.984 279 Q CB 0.292 29.003 28.738 -0.045 0.000 1.095 279 Q HN 0.596 nan 8.270 nan 0.000 0.477 280 H N 0.378 119.474 119.070 0.044 0.000 2.467 280 H HA 0.150 4.706 4.556 0.001 0.000 0.331 280 H C -2.020 173.413 175.328 0.175 0.000 1.120 280 H CA -2.102 54.008 56.048 0.104 0.000 1.270 280 H CB 1.846 31.678 29.762 0.117 0.000 1.466 280 H HN -0.145 nan 8.280 nan 0.000 0.504 281 P HA -0.231 nan 4.420 nan 0.000 0.217 281 P C 1.198 178.735 177.300 0.394 0.000 1.162 281 P CA 2.729 65.959 63.100 0.216 0.000 0.901 281 P CB -0.036 31.695 31.700 0.051 0.000 0.793 282 A N -1.304 121.885 122.820 0.614 0.000 1.903 282 A HA -0.273 4.048 4.320 0.001 0.000 0.219 282 A C 2.184 180.018 177.584 0.418 0.000 1.191 282 A CA 2.107 54.379 52.037 0.390 0.000 0.638 282 A CB -1.881 17.285 19.000 0.278 0.000 0.823 282 A HN 0.195 nan 8.150 nan 0.000 0.451 283 F N 0.808 120.954 119.950 0.326 0.000 2.051 283 F HA -0.168 4.360 4.527 0.001 0.000 0.296 283 F C 2.069 178.057 175.800 0.313 0.000 1.122 283 F CA 1.632 59.815 58.000 0.305 0.000 1.201 283 F CB -0.234 38.889 39.000 0.205 0.000 0.978 283 F HN 0.161 nan 8.300 nan 0.000 0.472 284 I N 0.837 121.763 120.570 0.594 0.000 2.087 284 I HA -0.355 3.816 4.170 0.001 0.000 0.240 284 I C 2.401 178.706 176.117 0.314 0.000 1.054 284 I CA 1.901 63.468 61.300 0.445 0.000 1.311 284 I CB -1.690 36.501 38.000 0.319 0.000 1.024 284 I HN 0.191 nan 8.210 nan 0.000 0.402 285 K N 1.375 121.920 120.400 0.241 0.000 2.032 285 K HA -0.129 4.192 4.320 0.001 0.000 0.209 285 K C 2.126 178.832 176.600 0.177 0.000 1.048 285 K CA 1.832 58.217 56.287 0.163 0.000 0.927 285 K CB -1.013 31.540 32.500 0.089 0.000 0.712 285 K HN 0.341 nan 8.250 nan 0.000 0.441 286 G N 0.346 109.268 108.800 0.204 0.000 2.422 286 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 286 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 286 G C 1.414 176.587 174.900 0.455 0.000 1.146 286 G CA 0.806 46.118 45.100 0.354 0.000 0.769 286 G HN 0.538 nan 8.290 nan 0.000 0.547 287 W N 2.263 123.566 121.300 0.005 0.000 2.408 287 W HA -0.080 4.580 4.660 0.001 0.000 0.311 287 W C 2.419 178.983 176.519 0.075 0.000 1.190 287 W CA 1.555 58.851 57.345 -0.081 0.000 1.321 287 W CB -0.128 29.202 29.460 -0.216 0.000 1.143 287 W HN 0.524 nan 8.180 nan 0.000 0.501 288 E N -0.082 120.149 120.200 0.052 0.000 2.338 288 E HA -0.056 4.294 4.350 0.001 0.000 0.197 288 E C 2.126 178.751 176.600 0.041 0.000 1.007 288 E CA 1.238 57.616 56.400 -0.037 0.000 0.849 288 E CB -0.986 28.797 29.700 0.138 0.000 0.774 288 E HN 0.244 nan 8.360 nan 0.000 0.506 289 G N 1.590 110.504 108.800 0.189 0.000 2.484 289 G HA2 -0.139 3.822 3.960 0.001 0.000 0.218 289 G HA3 -0.139 3.822 3.960 0.001 0.000 0.218 289 G C 1.545 176.743 174.900 0.497 0.000 1.130 289 G CA 0.274 45.583 45.100 0.349 0.000 0.784 289 G HN 0.156 nan 8.290 nan 0.000 0.543 290 L N 0.291 121.653 121.223 0.231 0.000 2.043 290 L HA -0.118 4.222 4.340 0.001 0.000 0.212 290 L C 2.856 179.801 176.870 0.125 0.000 1.075 290 L CA 1.117 55.938 54.840 -0.032 0.000 0.752 290 L CB -0.314 41.565 42.059 -0.300 0.000 0.891 290 L HN 0.138 nan 8.230 nan 0.000 0.432 291 E N 0.012 120.261 120.200 0.082 0.000 2.187 291 E HA -0.277 4.073 4.350 0.001 0.000 0.199 291 E C 2.107 178.813 176.600 0.175 0.000 1.004 291 E CA 1.241 57.717 56.400 0.126 0.000 0.813 291 E CB -0.447 29.295 29.700 0.070 0.000 0.736 291 E HN 0.325 nan 8.360 nan 0.000 0.468 292 L N -0.038 121.343 121.223 0.264 0.000 2.187 292 L HA -0.182 4.158 4.340 0.001 0.000 0.213 292 L C 1.736 178.753 176.870 0.245 0.000 1.100 292 L CA 1.595 56.611 54.840 0.294 0.000 0.765 292 L CB -0.408 41.866 42.059 0.358 0.000 0.904 292 L HN 0.048 nan 8.230 nan 0.000 0.437 293 Y N -0.558 119.716 120.300 -0.043 0.000 2.500 293 Y HA 0.363 4.914 4.550 0.001 0.000 0.270 293 Y C 1.741 177.270 175.900 -0.619 0.000 1.134 293 Y CA -0.236 57.667 58.100 -0.328 0.000 1.293 293 Y CB -0.851 37.212 38.460 -0.663 0.000 1.063 293 Y HN 0.144 nan 8.280 nan 0.000 0.534 294 G N 0.174 108.798 108.800 -0.294 0.000 2.606 294 G HA2 0.445 4.406 3.960 0.001 0.000 0.252 294 G HA3 0.445 4.406 3.960 0.001 0.000 0.252 294 G C -1.107 173.502 174.900 -0.485 0.000 1.206 294 G CA -0.124 44.709 45.100 -0.446 0.000 0.861 294 G HN -0.083 nan 8.290 nan 0.000 0.561 295 V N 0.939 120.343 119.914 -0.851 0.000 2.711 295 V HA 0.268 4.388 4.120 0.001 0.000 0.304 295 V C -0.856 174.933 176.094 -0.508 0.000 1.097 295 V CA -1.009 60.951 62.300 -0.567 0.000 0.906 295 V CB 1.983 33.479 31.823 -0.544 0.000 1.015 295 V HN 0.720 nan 8.190 nan 0.000 0.427 296 E N 4.310 124.380 120.200 -0.217 0.000 2.229 296 E HA 0.461 4.812 4.350 0.001 0.000 0.283 296 E C -0.835 175.638 176.600 -0.212 0.000 1.030 296 E CA -0.214 56.123 56.400 -0.105 0.000 0.836 296 E CB 1.830 31.516 29.700 -0.022 0.000 1.068 296 E HN 0.486 nan 8.360 nan 0.000 0.401 297 L N 2.707 123.758 121.223 -0.287 0.000 2.307 297 L HA 0.116 4.456 4.340 0.001 0.000 0.282 297 L C 1.392 178.042 176.870 -0.367 0.000 1.051 297 L CA -0.632 53.949 54.840 -0.432 0.000 0.804 297 L CB 0.985 42.557 42.059 -0.812 0.000 1.197 297 L HN 0.472 nan 8.230 nan 0.000 0.431 298 D N 0.815 121.076 120.400 -0.230 0.000 2.228 298 D HA -0.320 4.321 4.640 0.001 0.000 0.203 298 D C 1.247 177.538 176.300 -0.016 0.000 0.988 298 D CA 1.605 55.553 54.000 -0.087 0.000 0.864 298 D CB -0.328 40.466 40.800 -0.011 0.000 0.928 298 D HN 0.638 nan 8.370 nan 0.000 0.469 299 Y N -1.975 118.341 120.300 0.026 0.000 2.470 299 Y HA 0.526 5.077 4.550 0.001 0.000 0.302 299 Y C 1.648 177.588 175.900 0.066 0.000 1.194 299 Y CA -0.816 57.316 58.100 0.053 0.000 1.271 299 Y CB -0.240 38.268 38.460 0.080 0.000 1.092 299 Y HN 0.072 nan 8.280 nan 0.000 0.513 300 G N -0.676 108.117 108.800 -0.012 0.000 2.175 300 G HA2 -0.221 3.740 3.960 0.001 0.000 0.244 300 G HA3 -0.221 3.740 3.960 0.001 0.000 0.244 300 G C 0.672 175.585 174.900 0.022 0.000 0.982 300 G CA -0.159 44.969 45.100 0.046 0.000 0.641 300 G HN 0.983 nan 8.290 nan 0.000 0.527 301 G N -1.291 107.375 108.800 -0.224 0.000 2.547 301 G HA2 0.512 4.472 3.960 0.001 0.000 0.291 301 G HA3 0.512 4.472 3.960 0.001 0.000 0.291 301 G C -0.729 174.137 174.900 -0.056 0.000 1.211 301 G CA -0.210 44.846 45.100 -0.072 0.000 0.950 301 G HN 0.989 nan 8.290 nan 0.000 0.504 302 W N 0.980 122.156 121.300 -0.207 0.000 3.259 302 W HA 0.616 5.276 4.660 0.001 0.000 0.331 302 W C -0.488 175.736 176.519 -0.493 0.000 1.144 302 W CA -1.009 56.160 57.345 -0.294 0.000 1.227 302 W CB 1.558 30.897 29.460 -0.202 0.000 1.371 302 W HN 0.713 nan 8.180 nan 0.000 0.491 303 M N 4.673 123.483 119.600 -1.317 0.000 2.658 303 M HA 0.701 5.182 4.480 0.001 0.000 0.295 303 M C -2.091 173.297 176.300 -1.520 0.000 1.248 303 M CA -0.911 53.584 55.300 -1.341 0.000 0.843 303 M CB 2.864 34.817 32.600 -1.079 0.000 1.749 303 M HN 0.402 nan 8.290 nan 0.000 0.464 304 F N 1.835 121.164 119.950 -1.035 0.000 2.427 304 F HA 0.453 4.980 4.527 0.001 0.000 0.348 304 F C -0.595 175.031 175.800 -0.290 0.000 1.125 304 F CA -0.338 57.263 58.000 -0.666 0.000 0.989 304 F CB 1.715 40.489 39.000 -0.378 0.000 1.165 304 F HN 0.692 nan 8.300 nan 0.000 0.442 305 Q N 4.697 124.311 119.800 -0.309 0.000 2.311 305 Q HA 0.271 4.612 4.340 0.001 0.000 0.272 305 Q C 1.064 177.240 176.000 0.294 0.000 1.012 305 Q CA 0.329 56.109 55.803 -0.039 0.000 0.891 305 Q CB 1.410 30.085 28.738 -0.105 0.000 1.201 305 Q HN 0.904 nan 8.270 nan 0.000 0.391 306 A N 2.582 125.576 122.820 0.291 0.000 2.019 306 A HA -0.070 4.251 4.320 0.001 0.000 0.219 306 A C 0.918 178.751 177.584 0.415 0.000 1.164 306 A CA 1.472 53.725 52.037 0.360 0.000 0.644 306 A CB 0.259 19.479 19.000 0.366 0.000 0.805 306 A HN 0.591 nan 8.150 nan 0.000 0.449 307 S N -2.422 113.516 115.700 0.396 0.000 2.645 307 S HA 0.498 4.968 4.470 0.001 0.000 0.268 307 S C -1.418 173.349 174.600 0.278 0.000 1.110 307 S CA -0.253 58.238 58.200 0.485 0.000 0.823 307 S CB 0.294 63.775 63.200 0.468 0.000 1.091 307 S HN 0.854 nan 8.310 nan 0.000 0.466 308 I N 0.963 121.625 120.570 0.153 0.000 2.530 308 I HA 0.757 4.928 4.170 0.001 0.000 0.297 308 I C 0.016 175.853 176.117 -0.467 0.000 1.011 308 I CA -0.695 60.575 61.300 -0.051 0.000 1.107 308 I CB 2.338 40.213 38.000 -0.208 0.000 1.285 308 I HN 0.575 nan 8.210 nan 0.000 0.436 309 S N 3.312 118.725 115.700 -0.477 0.000 2.457 309 S HA 0.406 4.877 4.470 0.001 0.000 0.237 309 S C -1.702 172.653 174.600 -0.407 0.000 1.213 309 S CA -1.037 56.610 58.200 -0.921 0.000 1.218 309 S CB -0.199 62.658 63.200 -0.571 0.000 0.922 309 S HN 0.662 nan 8.310 nan 0.000 0.488 310 P HA -0.119 nan 4.420 nan 0.000 0.214 310 P C 1.574 178.771 177.300 -0.172 0.000 1.163 310 P CA 0.980 63.693 63.100 -0.646 0.000 0.883 310 P CB -0.061 30.602 31.700 -1.728 0.000 0.788 311 V N 0.091 119.953 119.914 -0.087 0.000 2.255 311 V HA -0.224 3.897 4.120 0.001 0.000 0.247 311 V C 2.595 178.815 176.094 0.210 0.000 1.051 311 V CA 2.097 64.517 62.300 0.199 0.000 1.018 311 V CB -1.695 30.225 31.823 0.161 0.000 0.641 311 V HN 0.219 nan 8.190 nan 0.000 0.445 312 W N 1.182 122.469 121.300 -0.021 0.000 2.317 312 W HA -0.247 4.413 4.660 0.001 0.000 0.318 312 W C 2.309 178.875 176.519 0.079 0.000 1.227 312 W CA 2.177 59.578 57.345 0.093 0.000 1.269 312 W CB -0.217 29.395 29.460 0.253 0.000 1.155 312 W HN 0.363 nan 8.180 nan 0.000 0.484 313 D N -0.256 120.206 120.400 0.104 0.000 2.084 313 D HA -0.176 4.465 4.640 0.001 0.000 0.194 313 D C 2.043 178.305 176.300 -0.063 0.000 0.990 313 D CA 2.460 56.460 54.000 -0.001 0.000 0.826 313 D CB -0.805 40.108 40.800 0.188 0.000 0.971 313 D HN 0.126 nan 8.370 nan 0.000 0.453 314 T N 0.624 115.248 114.554 0.117 0.000 2.635 314 T HA -0.159 4.191 4.350 0.001 0.000 0.267 314 T C 1.971 176.672 174.700 0.001 0.000 1.040 314 T CA 1.726 63.968 62.100 0.237 0.000 1.156 314 T CB -0.841 68.179 68.868 0.255 0.000 0.863 314 T HN 0.280 nan 8.240 nan 0.000 0.430 315 G N 1.599 110.346 108.800 -0.090 0.000 2.545 315 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 315 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 315 G C 1.506 176.125 174.900 -0.467 0.000 1.218 315 G CA 0.941 45.891 45.100 -0.251 0.000 0.787 315 G HN 0.467 nan 8.290 nan 0.000 0.571 316 L N 0.829 121.662 121.223 -0.649 0.000 2.012 316 L HA -0.129 4.212 4.340 0.001 0.000 0.210 316 L C 3.480 179.935 176.870 -0.693 0.000 1.073 316 L CA 1.162 55.533 54.840 -0.782 0.000 0.748 316 L CB -0.648 40.821 42.059 -0.983 0.000 0.891 316 L HN 0.327 nan 8.230 nan 0.000 0.431 317 A N -0.180 122.228 122.820 -0.687 0.000 1.958 317 A HA -0.190 4.130 4.320 0.001 0.000 0.221 317 A C 2.349 179.475 177.584 -0.763 0.000 1.178 317 A CA 2.207 53.695 52.037 -0.914 0.000 0.642 317 A CB -0.899 17.179 19.000 -1.536 0.000 0.816 317 A HN 0.230 nan 8.150 nan 0.000 0.453 318 V N -0.078 119.525 119.914 -0.518 0.000 2.244 318 V HA -0.239 3.882 4.120 0.001 0.000 0.244 318 V C 2.523 178.394 176.094 -0.372 0.000 1.042 318 V CA 1.906 64.009 62.300 -0.328 0.000 1.006 318 V CB -0.814 30.897 31.823 -0.187 0.000 0.641 318 V HN 0.590 nan 8.190 nan 0.000 0.446 319 L N 0.112 121.041 121.223 -0.490 0.000 2.189 319 L HA -0.221 4.120 4.340 0.001 0.000 0.214 319 L C 2.627 179.246 176.870 -0.419 0.000 1.097 319 L CA 1.485 55.992 54.840 -0.556 0.000 0.764 319 L CB -0.772 40.754 42.059 -0.889 0.000 0.900 319 L HN 0.400 nan 8.230 nan 0.000 0.436 320 A N 0.155 122.717 122.820 -0.430 0.000 1.854 320 A HA -0.104 4.217 4.320 0.001 0.000 0.214 320 A C 2.208 179.647 177.584 -0.242 0.000 1.192 320 A CA 1.098 52.934 52.037 -0.336 0.000 0.611 320 A CB -0.619 18.141 19.000 -0.401 0.000 0.832 320 A HN 0.323 nan 8.150 nan 0.000 0.442 321 L N -0.887 120.173 121.223 -0.271 0.000 2.131 321 L HA -0.175 4.165 4.340 0.001 0.000 0.210 321 L C 2.888 179.681 176.870 -0.127 0.000 1.092 321 L CA 0.884 55.613 54.840 -0.186 0.000 0.759 321 L CB -0.498 41.437 42.059 -0.207 0.000 0.903 321 L HN 0.292 nan 8.230 nan 0.000 0.435 322 R N 0.369 120.782 120.500 -0.146 0.000 2.061 322 R HA -0.061 4.280 4.340 0.001 0.000 0.230 322 R C 2.326 178.585 176.300 -0.068 0.000 1.140 322 R CA 1.538 57.582 56.100 -0.094 0.000 0.940 322 R CB -1.052 29.178 30.300 -0.117 0.000 0.839 322 R HN 0.306 nan 8.270 nan 0.000 0.429 323 A N 1.166 123.931 122.820 -0.092 0.000 2.076 323 A HA -0.077 4.243 4.320 0.001 0.000 0.220 323 A C 2.282 179.847 177.584 -0.032 0.000 1.160 323 A CA 1.745 53.750 52.037 -0.053 0.000 0.653 323 A CB -0.427 18.534 19.000 -0.065 0.000 0.801 323 A HN 0.389 nan 8.150 nan 0.000 0.455 324 A N -1.871 120.925 122.820 -0.041 0.000 1.854 324 A HA 0.364 4.685 4.320 0.001 0.000 0.214 324 A C 2.004 179.597 177.584 0.015 0.000 1.192 324 A CA 2.129 54.160 52.037 -0.009 0.000 0.611 324 A CB -0.543 18.447 19.000 -0.017 0.000 0.832 324 A HN 1.412 nan 8.150 nan 0.000 0.442 325 G N -2.410 106.396 108.800 0.011 0.000 3.845 325 G HA2 0.101 4.062 3.960 0.001 0.000 0.198 325 G HA3 0.101 4.062 3.960 0.001 0.000 0.198 325 G C 0.169 175.097 174.900 0.046 0.000 0.890 325 G CA -0.143 44.976 45.100 0.032 0.000 0.885 325 G HN 0.273 nan 8.290 nan 0.000 0.407 326 L N 2.514 123.766 121.223 0.049 0.000 2.605 326 L HA 0.145 4.486 4.340 0.001 0.000 0.296 326 L C -1.746 175.189 176.870 0.108 0.000 1.255 326 L CA -0.835 54.072 54.840 0.111 0.000 0.879 326 L CB 0.027 42.110 42.059 0.040 0.000 1.124 326 L HN 0.060 nan 8.230 nan 0.000 0.507 327 P HA -0.050 nan 4.420 nan 0.000 0.267 327 P C 0.052 177.412 177.300 0.101 0.000 1.200 327 P CA 0.079 63.239 63.100 0.100 0.000 0.772 327 P CB 0.700 32.445 31.700 0.074 0.000 0.855 328 A N 2.462 125.321 122.820 0.065 0.000 2.172 328 A HA -0.144 4.177 4.320 0.001 0.000 0.216 328 A C 1.057 178.682 177.584 0.068 0.000 1.154 328 A CA 1.807 53.877 52.037 0.056 0.000 0.701 328 A CB -1.021 18.006 19.000 0.044 0.000 0.789 328 A HN 0.693 nan 8.150 nan 0.000 0.465 329 D N -3.144 117.300 120.400 0.075 0.000 2.501 329 D HA 0.031 4.671 4.640 0.001 0.000 0.224 329 D C 0.453 176.806 176.300 0.089 0.000 1.202 329 D CA -0.549 53.493 54.000 0.069 0.000 0.829 329 D CB -0.633 40.191 40.800 0.041 0.000 1.023 329 D HN 0.313 nan 8.370 nan 0.000 0.499 330 H N 2.589 121.671 119.070 0.020 0.000 3.216 330 H HA -0.081 4.475 4.556 0.001 0.000 0.283 330 H C 1.119 176.458 175.328 0.018 0.000 0.921 330 H CA 0.963 57.023 56.048 0.019 0.000 1.419 330 H CB 0.686 30.462 29.762 0.022 0.000 1.460 330 H HN 0.325 nan 8.280 nan 0.000 0.553 331 D N 4.591 125.033 120.400 0.070 0.000 2.220 331 D HA -0.279 4.362 4.640 0.001 0.000 0.198 331 D C 1.784 178.195 176.300 0.184 0.000 1.001 331 D CA 1.184 55.241 54.000 0.095 0.000 0.875 331 D CB 0.054 40.855 40.800 0.001 0.000 0.921 331 D HN 0.366 nan 8.370 nan 0.000 0.454 332 R N 0.318 121.065 120.500 0.412 0.000 2.075 332 R HA 0.169 4.510 4.340 0.001 0.000 0.226 332 R C 2.560 178.900 176.300 0.068 0.000 1.114 332 R CA 0.594 56.793 56.100 0.164 0.000 0.972 332 R CB -0.624 29.725 30.300 0.082 0.000 0.869 332 R HN 0.269 nan 8.270 nan 0.000 0.437 333 L N -0.215 121.064 121.223 0.094 0.000 2.291 333 L HA -0.078 4.262 4.340 0.001 0.000 0.214 333 L C 1.951 178.877 176.870 0.093 0.000 1.120 333 L CA 0.419 55.307 54.840 0.080 0.000 0.799 333 L CB -0.232 41.860 42.059 0.055 0.000 0.925 333 L HN 0.016 nan 8.230 nan 0.000 0.446 334 V N -0.452 119.522 119.914 0.100 0.000 2.358 334 V HA -0.234 3.886 4.120 0.001 0.000 0.246 334 V C 2.555 178.698 176.094 0.083 0.000 1.047 334 V CA 1.404 63.756 62.300 0.086 0.000 1.035 334 V CB -0.514 31.355 31.823 0.076 0.000 0.658 334 V HN 0.382 nan 8.190 nan 0.000 0.452 335 K N 0.657 121.092 120.400 0.058 0.000 2.074 335 K HA -0.209 4.112 4.320 0.001 0.000 0.209 335 K C 2.307 178.967 176.600 0.101 0.000 1.048 335 K CA 1.826 58.139 56.287 0.045 0.000 0.926 335 K CB -0.860 31.614 32.500 -0.043 0.000 0.713 335 K HN 0.499 nan 8.250 nan 0.000 0.444 336 A N 1.095 123.963 122.820 0.080 0.000 1.858 336 A HA -0.091 4.229 4.320 0.001 0.000 0.216 336 A C 2.544 180.274 177.584 0.242 0.000 1.190 336 A CA 2.222 54.358 52.037 0.165 0.000 0.617 336 A CB -1.271 17.842 19.000 0.188 0.000 0.827 336 A HN 0.393 nan 8.150 nan 0.000 0.443 337 G N -0.237 108.660 108.800 0.162 0.000 2.514 337 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 337 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 337 G C 1.389 176.385 174.900 0.159 0.000 1.198 337 G CA 1.157 46.341 45.100 0.140 0.000 0.780 337 G HN 0.507 nan 8.290 nan 0.000 0.565 338 E N -0.141 120.150 120.200 0.152 0.000 2.033 338 E HA -0.210 4.140 4.350 0.001 0.000 0.199 338 E C 2.040 178.745 176.600 0.174 0.000 1.011 338 E CA 1.328 57.811 56.400 0.137 0.000 0.815 338 E CB -0.574 29.200 29.700 0.122 0.000 0.755 338 E HN 0.651 nan 8.360 nan 0.000 0.451 339 W N 1.790 123.122 121.300 0.053 0.000 2.317 339 W HA -0.211 4.450 4.660 0.001 0.000 0.318 339 W C 2.250 178.817 176.519 0.081 0.000 1.227 339 W CA 1.783 59.168 57.345 0.066 0.000 1.269 339 W CB -0.559 28.958 29.460 0.094 0.000 1.155 339 W HN 0.002 nan 8.180 nan 0.000 0.484 340 L N 0.047 121.438 121.223 0.280 0.000 2.187 340 L HA -0.262 4.079 4.340 0.001 0.000 0.213 340 L C 2.405 179.349 176.870 0.123 0.000 1.100 340 L CA 1.104 56.028 54.840 0.140 0.000 0.765 340 L CB -0.842 41.324 42.059 0.178 0.000 0.904 340 L HN 0.119 nan 8.230 nan 0.000 0.437 341 L N -0.796 120.485 121.223 0.096 0.000 2.109 341 L HA -0.167 4.173 4.340 0.001 0.000 0.207 341 L C 1.794 178.651 176.870 -0.020 0.000 1.086 341 L CA 0.898 55.794 54.840 0.093 0.000 0.760 341 L CB -0.482 41.621 42.059 0.074 0.000 0.910 341 L HN 0.278 nan 8.230 nan 0.000 0.437 342 D N -0.261 120.070 120.400 -0.115 0.000 2.363 342 D HA -0.064 4.577 4.640 0.001 0.000 0.220 342 D C 2.084 178.217 176.300 -0.277 0.000 0.994 342 D CA 0.428 54.315 54.000 -0.189 0.000 0.890 342 D CB 0.151 40.826 40.800 -0.209 0.000 0.906 342 D HN 0.223 nan 8.370 nan 0.000 0.530 343 R N 0.459 120.785 120.500 -0.291 0.000 2.156 343 R HA 0.050 4.391 4.340 0.001 0.000 0.207 343 R C 1.064 177.161 176.300 -0.339 0.000 1.040 343 R CA -0.058 55.856 56.100 -0.310 0.000 1.013 343 R CB -0.451 29.668 30.300 -0.302 0.000 0.931 343 R HN 0.310 nan 8.270 nan 0.000 0.465 344 Q N 1.547 121.062 119.800 -0.474 0.000 2.310 344 Q HA -0.075 4.266 4.340 0.001 0.000 0.315 344 Q C -0.408 175.222 176.000 -0.616 0.000 1.081 344 Q CA 0.347 55.527 55.803 -1.039 0.000 0.981 344 Q CB 0.475 28.729 28.738 -0.808 0.000 1.184 344 Q HN -0.033 nan 8.270 nan 0.000 0.389 345 I N 3.763 123.946 120.570 -0.644 0.000 2.532 345 I HA 0.062 4.233 4.170 0.001 0.000 0.292 345 I C 1.250 177.180 176.117 -0.311 0.000 1.014 345 I CA 0.203 61.264 61.300 -0.399 0.000 1.340 345 I CB 1.034 38.820 38.000 -0.356 0.000 1.422 345 I HN 0.906 nan 8.210 nan 0.000 0.528 346 T N 0.694 115.134 114.554 -0.189 0.000 3.058 346 T HA 0.292 4.642 4.350 0.001 0.000 0.278 346 T C 0.073 174.756 174.700 -0.029 0.000 0.974 346 T CA -0.246 61.790 62.100 -0.107 0.000 0.893 346 T CB -0.406 68.404 68.868 -0.095 0.000 1.138 346 T HN 0.396 nan 8.240 nan 0.000 0.529 347 V N -1.361 118.542 119.914 -0.017 0.000 2.881 347 V HA 0.818 4.939 4.120 0.001 0.000 0.316 347 V C -3.137 173.027 176.094 0.118 0.000 1.070 347 V CA -3.122 59.199 62.300 0.036 0.000 0.976 347 V CB 1.305 33.139 31.823 0.018 0.000 1.038 347 V HN -0.114 nan 8.190 nan 0.000 0.446 348 P HA 0.453 nan 4.420 nan 0.000 0.269 348 P C 0.122 177.304 177.300 -0.197 0.000 1.209 348 P CA 0.578 63.579 63.100 -0.166 0.000 0.776 348 P CB 0.791 32.327 31.700 -0.273 0.000 0.876 349 G N 0.657 109.088 108.800 -0.614 0.000 3.108 349 G HA2 0.166 4.127 3.960 0.001 0.000 0.268 349 G HA3 0.166 4.127 3.960 0.001 0.000 0.268 349 G C 0.211 174.746 174.900 -0.608 0.000 1.361 349 G CA -0.418 44.463 45.100 -0.365 0.000 1.047 349 G HN 0.288 nan 8.290 nan 0.000 0.540 350 D N -0.076 120.174 120.400 -0.251 0.000 2.309 350 D HA -0.087 4.553 4.640 0.001 0.000 0.212 350 D C 2.127 178.446 176.300 0.032 0.000 0.968 350 D CA 0.954 54.939 54.000 -0.024 0.000 0.882 350 D CB -0.011 40.978 40.800 0.315 0.000 0.918 350 D HN 0.652 nan 8.370 nan 0.000 0.503 351 W N 0.786 122.210 121.300 0.207 0.000 2.465 351 W HA 0.140 4.800 4.660 0.001 0.000 0.268 351 W C 1.659 178.263 176.519 0.142 0.000 1.242 351 W CA 0.572 58.051 57.345 0.224 0.000 1.248 351 W CB -0.892 28.779 29.460 0.352 0.000 1.118 351 W HN -0.107 nan 8.180 nan 0.000 0.587 352 A N 1.594 124.022 122.820 -0.653 0.000 2.067 352 A HA -0.036 4.284 4.320 0.001 0.000 0.219 352 A C 2.136 179.584 177.584 -0.227 0.000 1.158 352 A CA 1.841 53.536 52.037 -0.569 0.000 0.661 352 A CB -0.845 17.660 19.000 -0.825 0.000 0.801 352 A HN 0.119 nan 8.150 nan 0.000 0.452 353 V N -0.062 119.717 119.914 -0.226 0.000 2.688 353 V HA -0.183 3.938 4.120 0.001 0.000 0.256 353 V C 1.957 177.985 176.094 -0.110 0.000 1.084 353 V CA 1.993 64.153 62.300 -0.234 0.000 1.103 353 V CB -0.500 31.045 31.823 -0.462 0.000 0.688 353 V HN 0.459 nan 8.190 nan 0.000 0.480 354 K N -0.608 119.786 120.400 -0.010 0.000 2.380 354 K HA 0.274 4.594 4.320 0.001 0.000 0.198 354 K C 0.578 177.223 176.600 0.075 0.000 1.070 354 K CA 0.056 56.366 56.287 0.038 0.000 1.040 354 K CB 0.809 33.356 32.500 0.078 0.000 0.903 354 K HN 0.231 nan 8.250 nan 0.000 0.549 355 R N 0.702 121.272 120.500 0.117 0.000 2.655 355 R HA 0.213 4.553 4.340 0.001 0.000 0.261 355 R C -2.380 174.007 176.300 0.146 0.000 1.624 355 R CA -1.394 54.810 56.100 0.172 0.000 1.655 355 R CB 0.955 31.439 30.300 0.308 0.000 1.356 355 R HN -0.131 nan 8.270 nan 0.000 0.684 356 P HA -0.055 nan 4.420 nan 0.000 0.219 356 P C 0.338 177.670 177.300 0.054 0.000 1.146 356 P CA 1.231 64.333 63.100 0.003 0.000 0.808 356 P CB 0.258 31.947 31.700 -0.017 0.000 0.779 357 N N -1.181 117.574 118.700 0.092 0.000 2.268 357 N HA 0.087 4.828 4.740 0.001 0.000 0.204 357 N C -0.165 175.444 175.510 0.165 0.000 1.124 357 N CA -0.442 52.671 53.050 0.104 0.000 0.838 357 N CB 0.087 38.620 38.487 0.077 0.000 0.994 357 N HN 0.064 nan 8.380 nan 0.000 0.489 358 L N 1.777 123.157 121.223 0.261 0.000 2.292 358 L HA 0.255 4.596 4.340 0.001 0.000 0.284 358 L C -0.353 176.794 176.870 0.463 0.000 1.065 358 L CA -0.479 54.580 54.840 0.364 0.000 0.806 358 L CB 0.639 42.980 42.059 0.470 0.000 1.175 358 L HN -0.183 nan 8.230 nan 0.000 0.431 359 K N 6.017 126.637 120.400 0.366 0.000 2.276 359 K HA 0.376 4.697 4.320 0.001 0.000 0.283 359 K C -2.307 174.529 176.600 0.394 0.000 1.044 359 K CA -1.812 54.671 56.287 0.327 0.000 0.944 359 K CB 0.551 33.172 32.500 0.202 0.000 1.012 359 K HN 0.438 nan 8.250 nan 0.000 0.472 360 P HA 0.040 nan 4.420 nan 0.000 0.268 360 P C 0.498 177.729 177.300 -0.116 0.000 1.208 360 P CA 0.292 63.465 63.100 0.122 0.000 0.777 360 P CB 0.533 32.327 31.700 0.156 0.000 0.875 361 G N 0.155 108.672 108.800 -0.471 0.000 4.589 361 G HA2 0.189 4.150 3.960 0.001 0.000 0.218 361 G HA3 0.189 4.150 3.960 0.001 0.000 0.218 361 G C 0.361 174.949 174.900 -0.519 0.000 0.678 361 G CA 0.173 45.067 45.100 -0.343 0.000 0.859 361 G HN 0.791 nan 8.290 nan 0.000 0.650 362 G N -0.239 107.924 108.800 -1.061 0.000 2.588 362 G HA2 0.613 4.573 3.960 0.001 0.000 0.281 362 G HA3 0.613 4.573 3.960 0.001 0.000 0.281 362 G C -0.760 173.747 174.900 -0.655 0.000 1.236 362 G CA -0.601 43.967 45.100 -0.886 0.000 0.969 362 G HN 0.082 nan 8.290 nan 0.000 0.504 363 F N -1.190 118.600 119.950 -0.266 0.000 2.611 363 F HA 0.725 5.252 4.527 0.001 0.000 0.324 363 F C 0.650 176.434 175.800 -0.027 0.000 1.061 363 F CA -0.693 57.234 58.000 -0.121 0.000 0.954 363 F CB 1.955 40.933 39.000 -0.037 0.000 1.301 363 F HN 0.652 nan 8.300 nan 0.000 0.482 364 A N 0.498 123.438 122.820 0.201 0.000 2.282 364 A HA 0.570 4.891 4.320 0.001 0.000 0.324 364 A C 0.037 177.795 177.584 0.290 0.000 1.119 364 A CA -0.328 51.846 52.037 0.229 0.000 0.880 364 A CB 0.316 19.409 19.000 0.154 0.000 1.294 364 A HN 0.753 nan 8.150 nan 0.000 0.493 365 F N 0.180 120.206 119.950 0.126 0.000 2.128 365 F HA -0.023 4.504 4.527 0.001 0.000 0.295 365 F C 1.780 177.587 175.800 0.012 0.000 1.100 365 F CA 1.843 59.897 58.000 0.089 0.000 1.260 365 F CB -0.064 38.981 39.000 0.075 0.000 1.009 365 F HN 0.638 nan 8.300 nan 0.000 0.476 366 Q N -0.593 119.211 119.800 0.007 0.000 2.270 366 Q HA 0.102 4.443 4.340 0.001 0.000 0.167 366 Q C 1.168 176.993 176.000 -0.292 0.000 1.023 366 Q CA -0.308 55.323 55.803 -0.287 0.000 1.070 366 Q CB -0.865 27.815 28.738 -0.097 0.000 1.504 366 Q HN 0.200 nan 8.270 nan 0.000 0.536 367 F N 0.698 120.514 119.950 -0.224 0.000 2.039 367 F HA -0.047 4.480 4.527 0.001 0.000 0.294 367 F C 0.896 176.577 175.800 -0.197 0.000 1.130 367 F CA 1.521 59.376 58.000 -0.242 0.000 1.189 367 F CB -0.139 38.681 39.000 -0.300 0.000 0.983 367 F HN 0.516 nan 8.300 nan 0.000 0.471 368 D N -0.782 119.653 120.400 0.058 0.000 2.420 368 D HA 0.207 4.848 4.640 0.001 0.000 0.255 368 D C -1.200 175.061 176.300 -0.065 0.000 1.185 368 D CA -0.144 53.825 54.000 -0.051 0.000 0.904 368 D CB 0.073 40.822 40.800 -0.086 0.000 1.102 368 D HN 0.029 nan 8.370 nan 0.000 0.534 369 N N 3.516 122.176 118.700 -0.067 0.000 2.697 369 N HA 0.036 4.776 4.740 0.001 0.000 0.253 369 N C 0.874 176.337 175.510 -0.079 0.000 1.604 369 N CA -0.276 52.757 53.050 -0.028 0.000 0.772 369 N CB 0.676 39.231 38.487 0.115 0.000 1.267 369 N HN 0.145 nan 8.380 nan 0.000 0.510 370 V N -0.193 119.553 119.914 -0.281 0.000 2.392 370 V HA -0.146 3.974 4.120 0.001 0.000 0.249 370 V C 1.146 177.084 176.094 -0.261 0.000 1.059 370 V CA 1.386 63.474 62.300 -0.354 0.000 1.051 370 V CB -1.071 30.419 31.823 -0.556 0.000 0.658 370 V HN 0.346 nan 8.190 nan 0.000 0.455 371 Y N -0.584 119.638 120.300 -0.130 0.000 2.529 371 Y HA 0.326 4.877 4.550 0.001 0.000 0.290 371 Y C 0.515 176.113 175.900 -0.503 0.000 1.177 371 Y CA -0.607 57.290 58.100 -0.339 0.000 1.305 371 Y CB -0.705 37.423 38.460 -0.553 0.000 1.047 371 Y HN 0.414 nan 8.280 nan 0.000 0.522 372 Y N 0.371 120.833 120.300 0.271 0.000 2.558 372 Y HA 0.328 4.879 4.550 0.001 0.000 0.316 372 Y C -2.570 173.543 175.900 0.355 0.000 0.967 372 Y CA -3.419 54.864 58.100 0.306 0.000 1.126 372 Y CB 0.354 38.903 38.460 0.149 0.000 1.155 372 Y HN -0.089 nan 8.280 nan 0.000 0.628 373 P HA 0.146 nan 4.420 nan 0.000 0.277 373 P C -0.620 176.954 177.300 0.457 0.000 1.240 373 P CA 0.058 63.299 63.100 0.234 0.000 0.798 373 P CB 1.895 33.451 31.700 -0.240 0.000 0.979 374 D N 0.669 121.267 120.400 0.331 0.000 2.433 374 D HA 0.123 4.764 4.640 0.001 0.000 0.236 374 D C 0.931 177.368 176.300 0.228 0.000 1.026 374 D CA -0.854 53.247 54.000 0.167 0.000 0.884 374 D CB 1.776 42.395 40.800 -0.301 0.000 1.384 374 D HN -0.010 nan 8.370 nan 0.000 0.477 375 V N 0.952 120.954 119.914 0.147 0.000 2.343 375 V HA -0.237 3.884 4.120 0.001 0.000 0.247 375 V C 2.129 178.237 176.094 0.022 0.000 1.051 375 V CA 1.907 64.267 62.300 0.100 0.000 1.036 375 V CB -0.636 31.156 31.823 -0.052 0.000 0.654 375 V HN 0.717 nan 8.190 nan 0.000 0.451 376 D N 0.082 120.456 120.400 -0.043 0.000 2.103 376 D HA -0.219 4.422 4.640 0.001 0.000 0.190 376 D C 1.957 178.369 176.300 0.187 0.000 0.997 376 D CA 1.781 55.799 54.000 0.031 0.000 0.833 376 D CB -0.144 40.560 40.800 -0.161 0.000 0.961 376 D HN 0.422 nan 8.370 nan 0.000 0.447 377 D N -0.447 120.053 120.400 0.166 0.000 2.092 377 D HA -0.119 4.522 4.640 0.001 0.000 0.193 377 D C 2.008 178.418 176.300 0.182 0.000 0.994 377 D CA 1.354 55.545 54.000 0.318 0.000 0.828 377 D CB -0.338 40.654 40.800 0.321 0.000 0.963 377 D HN 0.246 nan 8.370 nan 0.000 0.450 378 T N 1.461 116.137 114.554 0.203 0.000 2.597 378 T HA -0.233 4.118 4.350 0.001 0.000 0.267 378 T C 2.043 176.778 174.700 0.059 0.000 1.053 378 T CA 2.062 64.296 62.100 0.224 0.000 1.165 378 T CB -0.485 68.609 68.868 0.377 0.000 0.863 378 T HN 0.228 nan 8.240 nan 0.000 0.427 379 A N 0.977 123.814 122.820 0.030 0.000 1.873 379 A HA -0.118 4.203 4.320 0.001 0.000 0.218 379 A C 2.653 180.253 177.584 0.027 0.000 1.193 379 A CA 2.020 54.018 52.037 -0.066 0.000 0.629 379 A CB -1.219 17.681 19.000 -0.166 0.000 0.826 379 A HN 0.365 nan 8.150 nan 0.000 0.447 380 V N -0.336 119.624 119.914 0.075 0.000 2.343 380 V HA -0.240 3.880 4.120 0.001 0.000 0.247 380 V C 2.568 178.589 176.094 -0.122 0.000 1.051 380 V CA 1.986 64.296 62.300 0.017 0.000 1.036 380 V CB -0.883 30.911 31.823 -0.048 0.000 0.654 380 V HN 0.382 nan 8.190 nan 0.000 0.451 381 V N -0.311 119.486 119.914 -0.196 0.000 2.295 381 V HA -0.212 3.908 4.120 0.001 0.000 0.246 381 V C 2.417 178.335 176.094 -0.293 0.000 1.049 381 V CA 1.900 63.966 62.300 -0.391 0.000 1.024 381 V CB -0.475 30.778 31.823 -0.951 0.000 0.648 381 V HN 0.407 nan 8.190 nan 0.000 0.447 382 V N -0.867 118.940 119.914 -0.177 0.000 2.295 382 V HA -0.262 3.859 4.120 0.001 0.000 0.246 382 V C 2.114 178.284 176.094 0.128 0.000 1.049 382 V CA 2.258 64.591 62.300 0.056 0.000 1.024 382 V CB -0.819 31.123 31.823 0.199 0.000 0.648 382 V HN 0.808 nan 8.190 nan 0.000 0.447 383 W N 1.550 122.759 121.300 -0.152 0.000 2.338 383 W HA -0.229 4.432 4.660 0.001 0.000 0.304 383 W C 2.463 178.864 176.519 -0.197 0.000 1.212 383 W CA 1.962 59.165 57.345 -0.237 0.000 1.264 383 W CB -0.879 28.426 29.460 -0.259 0.000 1.142 383 W HN 0.228 nan 8.180 nan 0.000 0.512 384 A N 0.453 123.159 122.820 -0.190 0.000 1.902 384 A HA -0.165 4.155 4.320 0.001 0.000 0.217 384 A C 2.318 179.829 177.584 -0.121 0.000 1.181 384 A CA 1.927 53.781 52.037 -0.304 0.000 0.623 384 A CB -1.043 17.773 19.000 -0.308 0.000 0.818 384 A HN 0.373 nan 8.150 nan 0.000 0.443 385 L N -0.667 120.533 121.223 -0.038 0.000 2.056 385 L HA -0.158 4.182 4.340 0.001 0.000 0.207 385 L C 2.311 179.224 176.870 0.072 0.000 1.078 385 L CA 1.475 56.335 54.840 0.034 0.000 0.749 385 L CB -0.570 41.535 42.059 0.077 0.000 0.901 385 L HN 0.465 nan 8.230 nan 0.000 0.433 386 N N -0.222 118.532 118.700 0.090 0.000 2.585 386 N HA -0.155 4.585 4.740 0.001 0.000 0.188 386 N C 1.390 176.932 175.510 0.054 0.000 1.102 386 N CA 1.407 54.510 53.050 0.090 0.000 0.920 386 N CB 0.068 38.491 38.487 -0.108 0.000 0.963 386 N HN 0.383 nan 8.380 nan 0.000 0.447 387 T N -3.298 111.273 114.554 0.030 0.000 3.054 387 T HA 0.299 4.649 4.350 0.001 0.000 0.255 387 T C 0.407 175.117 174.700 0.017 0.000 1.035 387 T CA -0.354 61.755 62.100 0.016 0.000 0.941 387 T CB -0.035 68.814 68.868 -0.032 0.000 1.026 387 T HN -0.060 nan 8.240 nan 0.000 0.533 388 L N 0.693 121.935 121.223 0.032 0.000 2.313 388 L HA 0.641 4.981 4.340 0.001 0.000 0.268 388 L C 0.334 177.239 176.870 0.058 0.000 1.010 388 L CA -1.388 53.477 54.840 0.042 0.000 0.814 388 L CB 1.851 43.936 42.059 0.042 0.000 1.304 388 L HN -0.111 nan 8.230 nan 0.000 0.441 389 R N 2.440 122.975 120.500 0.058 0.000 2.396 389 R HA 0.477 4.817 4.340 0.001 0.000 0.292 389 R C -1.117 175.217 176.300 0.057 0.000 1.240 389 R CA -0.448 55.687 56.100 0.057 0.000 1.270 389 R CB 0.737 31.067 30.300 0.050 0.000 1.108 389 R HN 0.500 nan 8.270 nan 0.000 0.573 390 L N 3.340 124.600 121.223 0.061 0.000 2.399 390 L HA 0.309 4.650 4.340 0.001 0.000 0.266 390 L C -1.202 175.697 176.870 0.049 0.000 1.114 390 L CA -1.937 52.938 54.840 0.059 0.000 0.804 390 L CB 0.738 42.837 42.059 0.066 0.000 1.146 390 L HN 0.131 nan 8.230 nan 0.000 0.451 391 P HA -0.186 nan 4.420 nan 0.000 0.215 391 P C 0.008 177.328 177.300 0.034 0.000 1.157 391 P CA 1.239 64.360 63.100 0.035 0.000 0.874 391 P CB 0.108 31.826 31.700 0.031 0.000 0.790 392 D N -0.374 120.049 120.400 0.037 0.000 2.522 392 D HA -0.004 4.637 4.640 0.001 0.000 0.218 392 D C 1.054 177.379 176.300 0.042 0.000 1.149 392 D CA -0.062 53.959 54.000 0.035 0.000 0.981 392 D CB -0.298 40.522 40.800 0.032 0.000 1.041 392 D HN -0.094 nan 8.370 nan 0.000 0.518 393 E N 1.708 121.933 120.200 0.042 0.000 2.331 393 E HA -0.212 4.139 4.350 0.001 0.000 0.199 393 E C 1.618 178.246 176.600 0.048 0.000 1.008 393 E CA 0.398 56.827 56.400 0.049 0.000 0.843 393 E CB 0.172 29.899 29.700 0.045 0.000 0.761 393 E HN 0.381 nan 8.360 nan 0.000 0.507 394 R N 1.521 122.044 120.500 0.038 0.000 2.075 394 R HA -0.093 4.248 4.340 0.001 0.000 0.230 394 R C 2.218 178.542 176.300 0.039 0.000 1.140 394 R CA 2.096 58.216 56.100 0.033 0.000 0.928 394 R CB -0.670 29.645 30.300 0.024 0.000 0.834 394 R HN 0.036 nan 8.270 nan 0.000 0.429 395 R N -0.129 120.395 120.500 0.040 0.000 2.120 395 R HA -0.048 4.293 4.340 0.001 0.000 0.234 395 R C 2.452 178.793 176.300 0.068 0.000 1.123 395 R CA 1.545 57.672 56.100 0.045 0.000 0.975 395 R CB -0.200 30.123 30.300 0.038 0.000 0.866 395 R HN 0.227 nan 8.270 nan 0.000 0.446 396 R N -0.031 120.514 120.500 0.075 0.000 2.066 396 R HA -0.149 4.191 4.340 0.001 0.000 0.232 396 R C 2.261 178.629 176.300 0.114 0.000 1.131 396 R CA 1.646 57.806 56.100 0.100 0.000 0.955 396 R CB -0.123 30.234 30.300 0.095 0.000 0.851 396 R HN 0.009 nan 8.270 nan 0.000 0.432 397 R N 0.884 121.439 120.500 0.091 0.000 2.073 397 R HA -0.142 4.198 4.340 0.001 0.000 0.234 397 R C 1.723 178.065 176.300 0.069 0.000 1.134 397 R CA 2.285 58.435 56.100 0.083 0.000 0.952 397 R CB -0.740 29.594 30.300 0.056 0.000 0.850 397 R HN 0.286 nan 8.270 nan 0.000 0.433 398 D N -0.577 119.858 120.400 0.058 0.000 2.097 398 D HA -0.073 4.567 4.640 0.001 0.000 0.195 398 D C 1.694 178.039 176.300 0.074 0.000 0.989 398 D CA 1.714 55.743 54.000 0.049 0.000 0.827 398 D CB -0.198 40.623 40.800 0.035 0.000 0.966 398 D HN 0.320 nan 8.370 nan 0.000 0.456 399 A N 0.305 123.183 122.820 0.098 0.000 1.865 399 A HA -0.218 4.103 4.320 0.001 0.000 0.217 399 A C 2.366 180.071 177.584 0.202 0.000 1.191 399 A CA 2.030 54.151 52.037 0.140 0.000 0.623 399 A CB -0.794 18.309 19.000 0.172 0.000 0.826 399 A HN 0.332 nan 8.150 nan 0.000 0.444 400 M N -0.741 118.989 119.600 0.216 0.000 2.106 400 M HA -0.168 4.312 4.480 0.001 0.000 0.259 400 M C 2.260 178.703 176.300 0.237 0.000 1.068 400 M CA 2.108 57.578 55.300 0.282 0.000 1.100 400 M CB -0.972 31.822 32.600 0.324 0.000 1.351 400 M HN 0.495 nan 8.290 nan 0.000 0.404 401 T N 0.654 115.278 114.554 0.116 0.000 2.652 401 T HA -0.149 4.202 4.350 0.001 0.000 0.267 401 T C 1.778 176.558 174.700 0.133 0.000 1.039 401 T CA 1.376 63.499 62.100 0.038 0.000 1.153 401 T CB -0.212 68.644 68.868 -0.020 0.000 0.863 401 T HN 0.387 nan 8.240 nan 0.000 0.428 402 K N 0.580 121.061 120.400 0.135 0.000 2.009 402 K HA -0.070 4.251 4.320 0.001 0.000 0.210 402 K C 2.684 179.423 176.600 0.233 0.000 1.049 402 K CA 1.417 57.791 56.287 0.146 0.000 0.929 402 K CB -0.685 31.862 32.500 0.077 0.000 0.714 402 K HN 0.392 nan 8.250 nan 0.000 0.440 403 G N 1.157 110.118 108.800 0.269 0.000 2.421 403 G HA2 -0.281 3.680 3.960 0.001 0.000 0.216 403 G HA3 -0.281 3.680 3.960 0.001 0.000 0.216 403 G C 1.347 176.498 174.900 0.418 0.000 1.171 403 G CA 0.562 45.877 45.100 0.359 0.000 0.775 403 G HN 0.192 nan 8.290 nan 0.000 0.543 404 F N 1.868 121.952 119.950 0.224 0.000 2.043 404 F HA -0.127 4.401 4.527 0.001 0.000 0.297 404 F C 2.914 178.857 175.800 0.238 0.000 1.121 404 F CA 1.967 60.095 58.000 0.214 0.000 1.199 404 F CB -0.447 38.559 39.000 0.009 0.000 0.968 404 F HN 0.017 nan 8.300 nan 0.000 0.478 405 R N -1.232 119.621 120.500 0.588 0.000 2.096 405 R HA -0.271 4.070 4.340 0.001 0.000 0.240 405 R C 2.133 178.650 176.300 0.361 0.000 1.139 405 R CA 1.995 58.350 56.100 0.426 0.000 0.952 405 R CB -1.330 29.123 30.300 0.256 0.000 0.854 405 R HN 0.527 nan 8.270 nan 0.000 0.436 406 W N 1.742 123.134 121.300 0.152 0.000 2.317 406 W HA -0.207 4.454 4.660 0.001 0.000 0.318 406 W C 1.826 178.389 176.519 0.072 0.000 1.227 406 W CA 1.605 58.973 57.345 0.039 0.000 1.269 406 W CB -0.430 28.988 29.460 -0.069 0.000 1.155 406 W HN -0.024 nan 8.180 nan 0.000 0.484 407 I N -0.235 120.450 120.570 0.191 0.000 2.118 407 I HA -0.396 3.775 4.170 0.001 0.000 0.241 407 I C 2.176 178.418 176.117 0.208 0.000 1.070 407 I CA 1.857 63.160 61.300 0.006 0.000 1.327 407 I CB -1.275 36.685 38.000 -0.067 0.000 1.034 407 I HN -0.164 nan 8.210 nan 0.000 0.405 408 V N 1.129 121.252 119.914 0.348 0.000 2.287 408 V HA -0.259 3.862 4.120 0.001 0.000 0.248 408 V C 2.491 178.731 176.094 0.244 0.000 1.053 408 V CA 2.238 64.798 62.300 0.434 0.000 1.027 408 V CB -1.538 30.550 31.823 0.443 0.000 0.646 408 V HN 0.620 nan 8.190 nan 0.000 0.447 409 G N -1.227 107.637 108.800 0.107 0.000 2.679 409 G HA2 -0.133 3.827 3.960 0.001 0.000 0.212 409 G HA3 -0.133 3.827 3.960 0.001 0.000 0.212 409 G C 1.322 176.162 174.900 -0.101 0.000 1.137 409 G CA 0.314 45.417 45.100 0.005 0.000 0.787 409 G HN 0.349 nan 8.290 nan 0.000 0.534 410 M N -0.050 119.467 119.600 -0.139 0.000 2.509 410 M HA 0.173 4.654 4.480 0.001 0.000 0.250 410 M C 1.163 177.412 176.300 -0.086 0.000 1.132 410 M CA -0.148 55.042 55.300 -0.182 0.000 1.080 410 M CB -0.480 31.862 32.600 -0.429 0.000 1.408 410 M HN 0.310 nan 8.290 nan 0.000 0.484 411 Q N 1.486 121.196 119.800 -0.150 0.000 2.283 411 Q HA 0.027 4.367 4.340 0.001 0.000 0.301 411 Q C -0.312 175.346 176.000 -0.569 0.000 1.063 411 Q CA 0.244 55.489 55.803 -0.929 0.000 0.952 411 Q CB 0.816 28.979 28.738 -0.959 0.000 1.166 411 Q HN 0.186 nan 8.270 nan 0.000 0.381 412 S N 1.893 117.233 115.700 -0.601 0.000 2.652 412 S HA 0.096 4.566 4.470 0.001 0.000 0.267 412 S C 1.066 175.464 174.600 -0.335 0.000 1.201 412 S CA -0.473 57.513 58.200 -0.356 0.000 0.996 412 S CB 1.165 64.188 63.200 -0.294 0.000 1.054 412 S HN 0.776 nan 8.310 nan 0.000 0.561 413 S N 2.138 117.702 115.700 -0.226 0.000 2.345 413 S HA -0.144 4.327 4.470 0.001 0.000 0.220 413 S C 1.514 175.995 174.600 -0.200 0.000 1.031 413 S CA 1.633 59.724 58.200 -0.180 0.000 0.996 413 S CB -0.737 62.395 63.200 -0.113 0.000 0.882 413 S HN 0.833 nan 8.310 nan 0.000 0.445 414 N N 1.320 119.893 118.700 -0.212 0.000 2.626 414 N HA 0.144 4.885 4.740 0.001 0.000 0.193 414 N C 0.963 176.311 175.510 -0.270 0.000 1.213 414 N CA 0.872 53.811 53.050 -0.184 0.000 0.914 414 N CB -0.693 37.709 38.487 -0.142 0.000 0.994 414 N HN 0.424 nan 8.380 nan 0.000 0.447 415 G N -2.506 106.071 108.800 -0.372 0.000 2.184 415 G HA2 -0.207 3.753 3.960 0.001 0.000 0.264 415 G HA3 -0.207 3.753 3.960 0.001 0.000 0.264 415 G C 0.333 174.856 174.900 -0.628 0.000 0.975 415 G CA 0.134 44.975 45.100 -0.431 0.000 0.642 415 G HN 0.843 nan 8.290 nan 0.000 0.536 416 G N -1.795 106.506 108.800 -0.832 0.000 2.521 416 G HA2 0.537 4.498 3.960 0.001 0.000 0.323 416 G HA3 0.537 4.498 3.960 0.001 0.000 0.323 416 G C -0.460 174.053 174.900 -0.645 0.000 1.211 416 G CA -0.789 43.768 45.100 -0.906 0.000 0.979 416 G HN 0.225 nan 8.290 nan 0.000 0.490 417 W N -0.145 121.009 121.300 -0.243 0.000 2.632 417 W HA 0.538 5.198 4.660 0.001 0.000 0.328 417 W C 0.471 176.953 176.519 -0.062 0.000 1.044 417 W CA -0.637 56.626 57.345 -0.137 0.000 1.225 417 W CB 2.061 31.456 29.460 -0.109 0.000 1.396 417 W HN 0.809 nan 8.180 nan 0.000 0.499 418 G N 0.770 109.686 108.800 0.192 0.000 2.630 418 G HA2 0.476 4.436 3.960 0.001 0.000 0.223 418 G HA3 0.476 4.436 3.960 0.001 0.000 0.223 418 G C 0.340 175.352 174.900 0.187 0.000 1.434 418 G CA 0.461 45.678 45.100 0.196 0.000 1.057 418 G HN 0.492 nan 8.290 nan 0.000 0.570 419 A N -2.428 120.494 122.820 0.170 0.000 1.993 419 A HA 0.442 4.762 4.320 0.001 0.000 0.202 419 A C 1.734 179.177 177.584 -0.234 0.000 1.461 419 A CA 0.682 52.650 52.037 -0.114 0.000 0.824 419 A CB -0.022 18.869 19.000 -0.182 0.000 1.024 419 A HN 0.511 nan 8.150 nan 0.000 0.507 420 Y N -0.122 120.356 120.300 0.296 0.000 2.589 420 Y HA 0.292 4.842 4.550 0.001 0.000 0.271 420 Y C 0.212 176.315 175.900 0.339 0.000 1.107 420 Y CA -0.571 57.735 58.100 0.344 0.000 1.273 420 Y CB 0.623 39.312 38.460 0.382 0.000 1.266 420 Y HN 0.132 nan 8.280 nan 0.000 0.504 421 D N -0.838 119.801 120.400 0.400 0.000 2.553 421 D HA 0.498 5.139 4.640 0.001 0.000 0.249 421 D C -0.991 175.417 176.300 0.180 0.000 1.062 421 D CA -0.441 53.746 54.000 0.313 0.000 1.085 421 D CB 2.916 43.893 40.800 0.296 0.000 1.350 421 D HN -0.341 nan 8.370 nan 0.000 0.575 422 V N 1.098 121.095 119.914 0.139 0.000 2.483 422 V HA 0.144 4.265 4.120 0.001 0.000 0.295 422 V C -0.020 176.096 176.094 0.037 0.000 1.035 422 V CA -0.545 61.784 62.300 0.049 0.000 0.896 422 V CB 1.387 33.224 31.823 0.025 0.000 0.986 422 V HN 0.578 nan 8.190 nan 0.000 0.447 423 D N 2.569 122.963 120.400 -0.010 0.000 2.782 423 D HA -0.201 4.440 4.640 0.001 0.000 0.231 423 D C 0.682 176.995 176.300 0.021 0.000 1.163 423 D CA 0.748 54.740 54.000 -0.013 0.000 0.680 423 D CB -0.531 40.254 40.800 -0.024 0.000 1.062 423 D HN 0.750 nan 8.370 nan 0.000 0.425 424 N N 0.954 119.684 118.700 0.049 0.000 3.103 424 N HA -0.017 4.724 4.740 0.001 0.000 0.305 424 N C 0.414 175.943 175.510 0.031 0.000 1.232 424 N CA 0.554 53.638 53.050 0.057 0.000 1.190 424 N CB 0.015 38.557 38.487 0.090 0.000 1.461 424 N HN 0.192 nan 8.380 nan 0.000 0.538 425 T N -2.345 112.216 114.554 0.012 0.000 3.266 425 T HA 0.119 4.469 4.350 0.001 0.000 0.278 425 T C 0.687 175.375 174.700 -0.020 0.000 1.010 425 T CA -0.588 61.513 62.100 0.000 0.000 0.909 425 T CB 0.105 68.974 68.868 0.002 0.000 1.122 425 T HN 0.109 nan 8.240 nan 0.000 0.536 426 S N 0.614 116.291 115.700 -0.038 0.000 2.572 426 S HA 0.114 4.584 4.470 0.001 0.000 0.267 426 S C 0.708 175.255 174.600 -0.088 0.000 1.361 426 S CA 0.166 58.331 58.200 -0.058 0.000 1.009 426 S CB 0.751 63.899 63.200 -0.087 0.000 0.888 426 S HN 0.548 nan 8.310 nan 0.000 0.553 427 D N 0.383 120.738 120.400 -0.076 0.000 2.489 427 D HA 0.220 4.861 4.640 0.001 0.000 0.231 427 D C 1.674 177.889 176.300 -0.143 0.000 1.114 427 D CA -0.129 53.814 54.000 -0.095 0.000 0.842 427 D CB -0.049 40.760 40.800 0.014 0.000 1.133 427 D HN 0.351 nan 8.370 nan 0.000 0.506 428 L N 1.994 123.171 121.223 -0.077 0.000 1.989 428 L HA -0.064 4.276 4.340 0.001 0.000 0.211 428 L C -0.571 176.120 176.870 -0.299 0.000 1.071 428 L CA 1.948 56.760 54.840 -0.047 0.000 0.749 428 L CB -2.239 39.820 42.059 -0.001 0.000 0.890 428 L HN 0.218 nan 8.230 nan 0.000 0.431 429 P HA -0.167 nan 4.420 nan 0.000 0.221 429 P C 0.894 177.918 177.300 -0.460 0.000 1.145 429 P CA 1.177 63.935 63.100 -0.570 0.000 0.795 429 P CB -0.226 30.851 31.700 -1.039 0.000 0.775 430 N N -0.722 117.662 118.700 -0.527 0.000 2.571 430 N HA -0.086 4.654 4.740 0.001 0.000 0.189 430 N C 1.101 176.237 175.510 -0.623 0.000 1.154 430 N CA 0.767 53.492 53.050 -0.543 0.000 0.907 430 N CB -0.363 37.779 38.487 -0.575 0.000 0.977 430 N HN 0.460 nan 8.380 nan 0.000 0.449 431 H N -0.464 118.393 119.070 -0.356 0.000 2.755 431 H HA 0.222 4.779 4.556 0.001 0.000 0.273 431 H C 0.557 175.518 175.328 -0.611 0.000 1.055 431 H CA -0.414 55.374 56.048 -0.434 0.000 1.191 431 H CB 1.170 30.654 29.762 -0.462 0.000 1.536 431 H HN 0.013 nan 8.280 nan 0.000 0.529 432 I N 2.874 123.154 120.570 -0.483 0.000 2.648 432 I HA 0.017 4.187 4.170 0.001 0.000 0.284 432 I C -1.140 174.943 176.117 -0.056 0.000 1.153 432 I CA -1.984 59.144 61.300 -0.288 0.000 1.426 432 I CB 0.603 38.539 38.000 -0.107 0.000 1.381 432 I HN -0.111 nan 8.210 nan 0.000 0.571 433 P HA -0.212 nan 4.420 nan 0.000 0.216 433 P C 1.854 179.199 177.300 0.076 0.000 1.153 433 P CA 1.355 64.507 63.100 0.086 0.000 0.858 433 P CB 0.017 31.801 31.700 0.140 0.000 0.789 434 F N 0.377 120.310 119.950 -0.028 0.000 2.095 434 F HA -0.168 4.360 4.527 0.001 0.000 0.298 434 F C 0.668 176.398 175.800 -0.117 0.000 1.104 434 F CA 1.008 58.959 58.000 -0.081 0.000 1.232 434 F CB -0.719 38.240 39.000 -0.069 0.000 0.987 434 F HN -0.163 nan 8.300 nan 0.000 0.475 435 C N 3.291 122.561 119.300 -0.051 0.000 2.459 435 C HA 0.177 4.638 4.460 0.001 0.000 0.358 435 C C 0.739 175.649 174.990 -0.133 0.000 1.162 435 C CA 0.044 58.987 59.018 -0.126 0.000 1.559 435 C CB -1.687 26.056 27.740 0.004 0.000 2.132 435 C HN 0.587 nan 8.230 nan 0.000 0.536 436 D N 0.504 120.809 120.400 -0.159 0.000 2.562 436 D HA 0.091 4.731 4.640 0.001 0.000 0.246 436 D C -0.340 175.998 176.300 0.063 0.000 1.347 436 D CA -0.081 53.885 54.000 -0.056 0.000 0.800 436 D CB 0.026 40.789 40.800 -0.061 0.000 1.111 436 D HN 0.388 nan 8.370 nan 0.000 0.508 437 F N 1.527 121.399 119.950 -0.131 0.000 2.562 437 F HA 0.508 5.036 4.527 0.001 0.000 0.319 437 F C 0.550 176.255 175.800 -0.159 0.000 1.154 437 F CA 0.675 58.639 58.000 -0.060 0.000 0.931 437 F CB 1.495 40.531 39.000 0.059 0.000 1.198 437 F HN 0.206 nan 8.300 nan 0.000 0.444 438 G N 4.512 112.813 108.800 -0.832 0.000 2.749 438 G HA2 -0.174 3.786 3.960 0.001 0.000 0.242 438 G HA3 -0.174 3.786 3.960 0.001 0.000 0.242 438 G C -0.637 173.795 174.900 -0.781 0.000 1.364 438 G CA -0.532 43.949 45.100 -1.032 0.000 0.888 438 G HN 0.743 nan 8.290 nan 0.000 0.566 439 E N -0.891 118.705 120.200 -1.008 0.000 2.390 439 E HA 0.384 4.734 4.350 0.001 0.000 0.261 439 E C 1.135 177.724 176.600 -0.018 0.000 1.076 439 E CA 0.173 56.391 56.400 -0.303 0.000 0.905 439 E CB 1.494 31.241 29.700 0.078 0.000 0.984 439 E HN 0.558 nan 8.360 nan 0.000 0.427 440 V N 0.218 120.193 119.914 0.102 0.000 3.497 440 V HA 0.015 4.135 4.120 0.001 0.000 0.272 440 V C 0.584 176.681 176.094 0.005 0.000 1.474 440 V CA 0.673 63.039 62.300 0.110 0.000 1.025 440 V CB 0.819 32.626 31.823 -0.028 0.000 0.820 440 V HN 0.753 nan 8.190 nan 0.000 0.437 441 T N -2.553 112.024 114.554 0.038 0.000 2.926 441 T HA 0.623 4.974 4.350 0.001 0.000 0.289 441 T C -1.095 173.672 174.700 0.112 0.000 1.054 441 T CA -0.432 61.650 62.100 -0.030 0.000 1.015 441 T CB 2.655 71.489 68.868 -0.056 0.000 1.167 441 T HN 0.022 nan 8.240 nan 0.000 0.526 442 D N 2.243 122.683 120.400 0.066 0.000 2.517 442 D HA 0.390 5.030 4.640 0.001 0.000 0.301 442 D C -2.341 174.092 176.300 0.222 0.000 1.202 442 D CA -1.888 52.264 54.000 0.252 0.000 0.910 442 D CB 0.739 41.653 40.800 0.190 0.000 1.021 442 D HN 0.325 nan 8.370 nan 0.000 0.499 443 P HA 0.347 nan 4.420 nan 0.000 0.278 443 P C -2.634 174.763 177.300 0.162 0.000 1.258 443 P CA -1.628 61.552 63.100 0.133 0.000 0.811 443 P CB 0.421 32.182 31.700 0.102 0.000 1.063 444 P HA 0.059 nan 4.420 nan 0.000 0.267 444 P C -0.172 177.254 177.300 0.209 0.000 1.200 444 P CA 0.565 63.703 63.100 0.064 0.000 0.772 444 P CB 0.188 31.764 31.700 -0.208 0.000 0.855 445 S N 0.403 116.262 115.700 0.265 0.000 2.568 445 S HA 0.388 4.859 4.470 0.001 0.000 0.293 445 S C 0.668 175.463 174.600 0.325 0.000 1.089 445 S CA -0.642 57.746 58.200 0.314 0.000 0.945 445 S CB 1.816 65.181 63.200 0.276 0.000 1.077 445 S HN 0.212 nan 8.310 nan 0.000 0.485 446 E N 1.646 122.001 120.200 0.258 0.000 2.051 446 E HA -0.148 4.203 4.350 0.001 0.000 0.192 446 E C 1.636 178.189 176.600 -0.078 0.000 0.991 446 E CA 1.806 58.266 56.400 0.100 0.000 0.799 446 E CB -0.237 29.468 29.700 0.009 0.000 0.748 446 E HN 0.847 nan 8.360 nan 0.000 0.449 447 D N 0.842 121.158 120.400 -0.140 0.000 2.123 447 D HA -0.161 4.479 4.640 0.001 0.000 0.196 447 D C 1.983 178.005 176.300 -0.463 0.000 0.992 447 D CA 1.202 54.969 54.000 -0.387 0.000 0.833 447 D CB -0.651 39.960 40.800 -0.315 0.000 0.954 447 D HN 0.150 nan 8.370 nan 0.000 0.455 448 V N 1.240 121.074 119.914 -0.133 0.000 2.261 448 V HA -0.242 3.879 4.120 0.001 0.000 0.246 448 V C 2.812 178.864 176.094 -0.070 0.000 1.047 448 V CA 2.311 64.567 62.300 -0.074 0.000 1.015 448 V CB -1.063 30.817 31.823 0.094 0.000 0.642 448 V HN 0.295 nan 8.190 nan 0.000 0.446 449 T N 0.634 115.226 114.554 0.064 0.000 2.635 449 T HA -0.277 4.073 4.350 0.001 0.000 0.267 449 T C 2.078 176.763 174.700 -0.025 0.000 1.040 449 T CA 1.972 64.174 62.100 0.171 0.000 1.156 449 T CB -0.625 68.433 68.868 0.317 0.000 0.863 449 T HN 0.590 nan 8.240 nan 0.000 0.430 450 A N 1.412 124.151 122.820 -0.135 0.000 1.884 450 A HA -0.267 4.053 4.320 0.001 0.000 0.219 450 A C 1.942 179.437 177.584 -0.148 0.000 1.197 450 A CA 2.267 54.181 52.037 -0.204 0.000 0.637 450 A CB -1.297 17.508 19.000 -0.327 0.000 0.827 450 A HN 0.769 nan 8.150 nan 0.000 0.450 451 H N -1.244 117.709 119.070 -0.195 0.000 2.390 451 H HA -0.117 4.440 4.556 0.001 0.000 0.298 451 H C 2.111 177.225 175.328 -0.356 0.000 1.106 451 H CA 1.011 56.951 56.048 -0.180 0.000 1.297 451 H CB -0.081 29.659 29.762 -0.037 0.000 1.375 451 H HN 0.335 nan 8.280 nan 0.000 0.509 452 V N 0.675 120.379 119.914 -0.350 0.000 2.261 452 V HA -0.243 3.878 4.120 0.001 0.000 0.246 452 V C 2.300 177.869 176.094 -0.876 0.000 1.047 452 V CA 1.406 63.217 62.300 -0.815 0.000 1.015 452 V CB -0.488 30.586 31.823 -1.248 0.000 0.642 452 V HN 0.208 nan 8.190 nan 0.000 0.446 453 L N 0.158 121.116 121.223 -0.442 0.000 2.012 453 L HA -0.218 4.123 4.340 0.001 0.000 0.210 453 L C 2.514 179.222 176.870 -0.270 0.000 1.073 453 L CA 2.286 57.018 54.840 -0.181 0.000 0.748 453 L CB -0.931 41.106 42.059 -0.037 0.000 0.891 453 L HN 0.463 nan 8.230 nan 0.000 0.431 454 E N -1.484 118.477 120.200 -0.398 0.000 2.204 454 E HA -0.247 4.104 4.350 0.001 0.000 0.195 454 E C 2.392 178.441 176.600 -0.918 0.000 0.990 454 E CA 1.177 57.215 56.400 -0.604 0.000 0.821 454 E CB -0.192 29.091 29.700 -0.695 0.000 0.750 454 E HN 0.561 nan 8.360 nan 0.000 0.477 455 C N -0.224 118.580 119.300 -0.826 0.000 2.453 455 C HA -0.090 4.371 4.460 0.001 0.000 0.277 455 C C 2.211 176.909 174.990 -0.487 0.000 1.262 455 C CA 0.579 59.136 59.018 -0.767 0.000 1.718 455 C CB -1.301 26.052 27.740 -0.645 0.000 2.031 455 C HN 0.529 nan 8.230 nan 0.000 0.480 456 F N 1.855 121.665 119.950 -0.233 0.000 2.146 456 F HA 0.119 4.647 4.527 0.001 0.000 0.298 456 F C 2.645 178.507 175.800 0.103 0.000 1.096 456 F CA 1.308 59.328 58.000 0.034 0.000 1.275 456 F CB -1.654 37.382 39.000 0.061 0.000 1.008 456 F HN 0.331 nan 8.300 nan 0.000 0.480 457 G N 0.004 108.867 108.800 0.104 0.000 2.505 457 G HA2 -0.349 3.612 3.960 0.001 0.000 0.220 457 G HA3 -0.349 3.612 3.960 0.001 0.000 0.220 457 G C 1.824 176.706 174.900 -0.029 0.000 1.145 457 G CA 1.646 46.769 45.100 0.038 0.000 0.761 457 G HN 0.466 nan 8.290 nan 0.000 0.571 458 S N 0.310 115.848 115.700 -0.271 0.000 2.400 458 S HA -0.092 4.379 4.470 0.001 0.000 0.232 458 S C 2.038 176.547 174.600 -0.153 0.000 1.025 458 S CA 1.463 59.486 58.200 -0.295 0.000 0.993 458 S CB -0.503 62.386 63.200 -0.518 0.000 0.808 458 S HN 0.228 nan 8.310 nan 0.000 0.478 459 F N 2.006 122.061 119.950 0.175 0.000 2.335 459 F HA 0.383 4.910 4.527 0.001 0.000 0.296 459 F C 2.416 178.390 175.800 0.289 0.000 1.091 459 F CA 0.383 58.550 58.000 0.278 0.000 1.399 459 F CB -0.539 38.708 39.000 0.412 0.000 1.067 459 F HN 0.491 nan 8.300 nan 0.000 0.520 460 G N -2.066 107.002 108.800 0.447 0.000 2.545 460 G HA2 -0.222 3.738 3.960 0.001 0.000 0.195 460 G HA3 -0.222 3.738 3.960 0.001 0.000 0.195 460 G C -0.206 174.864 174.900 0.283 0.000 1.009 460 G CA -0.665 44.601 45.100 0.277 0.000 0.703 460 G HN 0.065 nan 8.290 nan 0.000 0.479 461 Y N 4.271 124.695 120.300 0.207 0.000 2.846 461 Y HA 0.276 4.826 4.550 0.001 0.000 0.352 461 Y C 1.305 177.347 175.900 0.237 0.000 1.298 461 Y CA 0.222 58.443 58.100 0.202 0.000 1.634 461 Y CB 0.111 38.729 38.460 0.264 0.000 1.214 461 Y HN 0.486 nan 8.280 nan 0.000 0.529 462 D N 0.872 121.434 120.400 0.270 0.000 2.567 462 D HA 0.070 4.711 4.640 0.001 0.000 0.275 462 D C 0.618 177.060 176.300 0.236 0.000 1.195 462 D CA -0.413 53.717 54.000 0.217 0.000 1.087 462 D CB 0.435 41.312 40.800 0.128 0.000 1.165 462 D HN 0.433 nan 8.370 nan 0.000 0.609 463 D N -0.877 119.622 120.400 0.166 0.000 2.311 463 D HA -0.116 4.524 4.640 0.001 0.000 0.212 463 D C 1.840 178.227 176.300 0.146 0.000 0.972 463 D CA 1.467 55.553 54.000 0.144 0.000 0.887 463 D CB -0.205 40.658 40.800 0.105 0.000 0.915 463 D HN 0.437 nan 8.370 nan 0.000 0.497 464 A N -0.017 122.896 122.820 0.154 0.000 1.902 464 A HA -0.105 4.215 4.320 0.001 0.000 0.217 464 A C 0.971 178.687 177.584 0.219 0.000 1.181 464 A CA 0.633 52.755 52.037 0.141 0.000 0.623 464 A CB -0.952 18.107 19.000 0.098 0.000 0.818 464 A HN 0.497 nan 8.150 nan 0.000 0.443 465 W N 1.905 123.235 121.300 0.050 0.000 2.308 465 W HA 0.248 4.909 4.660 0.001 0.000 0.324 465 W C 1.313 177.870 176.519 0.062 0.000 1.387 465 W CA -0.578 56.805 57.345 0.064 0.000 1.250 465 W CB 0.554 30.088 29.460 0.124 0.000 1.257 465 W HN 0.371 nan 8.180 nan 0.000 0.554 466 K N 3.392 123.824 120.400 0.054 0.000 2.044 466 K HA -0.240 4.080 4.320 0.001 0.000 0.210 466 K C 1.541 177.910 176.600 -0.384 0.000 1.049 466 K CA 2.389 58.593 56.287 -0.138 0.000 0.927 466 K CB -0.262 32.198 32.500 -0.067 0.000 0.713 466 K HN 0.438 nan 8.250 nan 0.000 0.443 467 V N 1.933 121.301 119.914 -0.910 0.000 2.324 467 V HA -0.318 3.802 4.120 0.001 0.000 0.250 467 V C 2.431 178.228 176.094 -0.494 0.000 1.060 467 V CA 1.715 63.478 62.300 -0.896 0.000 1.042 467 V CB -0.468 30.353 31.823 -1.670 0.000 0.650 467 V HN 0.364 nan 8.190 nan 0.000 0.450 468 I N -0.123 120.203 120.570 -0.407 0.000 2.142 468 I HA -0.233 3.937 4.170 0.001 0.000 0.240 468 I C 2.606 178.725 176.117 0.003 0.000 1.078 468 I CA 1.902 63.191 61.300 -0.020 0.000 1.343 468 I CB -1.279 36.817 38.000 0.159 0.000 1.046 468 I HN 0.352 nan 8.210 nan 0.000 0.405 469 R N 1.210 121.695 120.500 -0.025 0.000 2.096 469 R HA -0.190 4.151 4.340 0.001 0.000 0.240 469 R C 2.504 178.791 176.300 -0.021 0.000 1.139 469 R CA 1.656 57.753 56.100 -0.004 0.000 0.952 469 R CB -0.145 30.152 30.300 -0.006 0.000 0.854 469 R HN 0.301 nan 8.270 nan 0.000 0.436 470 R N -0.094 120.359 120.500 -0.079 0.000 2.103 470 R HA -0.163 4.177 4.340 0.001 0.000 0.242 470 R C 2.375 178.652 176.300 -0.038 0.000 1.142 470 R CA 1.601 57.648 56.100 -0.087 0.000 0.960 470 R CB -0.476 29.718 30.300 -0.176 0.000 0.858 470 R HN 0.321 nan 8.270 nan 0.000 0.439 471 A N 0.836 123.642 122.820 -0.023 0.000 1.873 471 A HA -0.096 4.225 4.320 0.001 0.000 0.215 471 A C 2.434 180.107 177.584 0.147 0.000 1.186 471 A CA 1.364 53.456 52.037 0.090 0.000 0.616 471 A CB -0.582 18.546 19.000 0.214 0.000 0.823 471 A HN 0.110 nan 8.150 nan 0.000 0.442 472 V N 0.575 120.546 119.914 0.096 0.000 2.324 472 V HA -0.271 3.850 4.120 0.001 0.000 0.250 472 V C 2.584 178.720 176.094 0.070 0.000 1.060 472 V CA 2.249 64.599 62.300 0.082 0.000 1.042 472 V CB -0.836 31.034 31.823 0.077 0.000 0.650 472 V HN 0.521 nan 8.190 nan 0.000 0.450 473 E N -0.492 119.741 120.200 0.054 0.000 2.058 473 E HA -0.255 4.095 4.350 0.001 0.000 0.194 473 E C 2.070 178.711 176.600 0.068 0.000 0.997 473 E CA 1.824 58.244 56.400 0.033 0.000 0.801 473 E CB -0.574 29.138 29.700 0.020 0.000 0.746 473 E HN 0.768 nan 8.360 nan 0.000 0.450 474 Y N 1.717 122.011 120.300 -0.012 0.000 2.114 474 Y HA -0.234 4.316 4.550 0.001 0.000 0.282 474 Y C 2.221 178.155 175.900 0.057 0.000 1.165 474 Y CA 1.578 59.679 58.100 0.002 0.000 1.148 474 Y CB -0.571 37.874 38.460 -0.025 0.000 0.972 474 Y HN -0.053 nan 8.280 nan 0.000 0.504 475 L N 0.029 121.185 121.223 -0.111 0.000 2.046 475 L HA -0.243 4.098 4.340 0.001 0.000 0.208 475 L C 2.517 179.485 176.870 0.162 0.000 1.077 475 L CA 1.834 56.602 54.840 -0.120 0.000 0.747 475 L CB -0.609 41.372 42.059 -0.131 0.000 0.896 475 L HN 0.142 nan 8.230 nan 0.000 0.432 476 K N 0.033 120.501 120.400 0.114 0.000 2.057 476 K HA -0.152 4.168 4.320 0.001 0.000 0.207 476 K C 2.187 178.792 176.600 0.007 0.000 1.049 476 K CA 1.281 57.612 56.287 0.075 0.000 0.931 476 K CB -0.134 32.294 32.500 -0.120 0.000 0.714 476 K HN 0.311 nan 8.250 nan 0.000 0.440 477 R N 0.512 120.991 120.500 -0.034 0.000 2.189 477 R HA -0.042 4.299 4.340 0.001 0.000 0.218 477 R C 1.625 177.883 176.300 -0.070 0.000 1.074 477 R CA 0.673 56.742 56.100 -0.052 0.000 0.991 477 R CB 0.090 30.371 30.300 -0.031 0.000 0.883 477 R HN 0.180 nan 8.270 nan 0.000 0.457 478 E N 0.862 121.009 120.200 -0.088 0.000 2.340 478 E HA -0.048 4.303 4.350 0.001 0.000 0.194 478 E C 0.457 177.037 176.600 -0.034 0.000 0.996 478 E CA 0.087 56.441 56.400 -0.077 0.000 0.869 478 E CB 0.100 29.679 29.700 -0.201 0.000 0.835 478 E HN 0.303 nan 8.360 nan 0.000 0.493 479 Q N 2.033 121.811 119.800 -0.036 0.000 2.304 479 Q HA -0.094 4.246 4.340 0.001 0.000 0.315 479 Q C -0.234 175.520 176.000 -0.410 0.000 1.075 479 Q CA 0.442 55.912 55.803 -0.556 0.000 0.988 479 Q CB 0.564 28.928 28.738 -0.623 0.000 1.146 479 Q HN -0.272 nan 8.270 nan 0.000 0.383 480 K N 4.670 124.780 120.400 -0.483 0.000 2.219 480 K HA 0.100 4.421 4.320 0.001 0.000 0.258 480 K C -1.806 174.608 176.600 -0.311 0.000 1.008 480 K CA -1.802 54.294 56.287 -0.317 0.000 0.928 480 K CB 0.049 32.365 32.500 -0.307 0.000 0.983 480 K HN 0.497 nan 8.250 nan 0.000 0.484 481 P HA -0.205 nan 4.420 nan 0.000 0.216 481 P C 0.452 177.655 177.300 -0.162 0.000 1.157 481 P CA 1.541 64.548 63.100 -0.155 0.000 0.880 481 P CB 0.100 31.737 31.700 -0.105 0.000 0.791 482 D N -1.752 118.531 120.400 -0.195 0.000 2.352 482 D HA 0.013 4.653 4.640 0.001 0.000 0.232 482 D C 1.153 177.296 176.300 -0.261 0.000 1.055 482 D CA 0.830 54.747 54.000 -0.138 0.000 0.891 482 D CB -0.950 39.822 40.800 -0.047 0.000 0.897 482 D HN 0.259 nan 8.370 nan 0.000 0.529 483 G N 0.779 109.352 108.800 -0.379 0.000 2.160 483 G HA2 -0.278 3.683 3.960 0.001 0.000 0.251 483 G HA3 -0.278 3.683 3.960 0.001 0.000 0.251 483 G C 0.267 174.699 174.900 -0.779 0.000 1.008 483 G CA 0.525 45.333 45.100 -0.485 0.000 0.724 483 G HN 0.762 nan 8.290 nan 0.000 0.514 484 S N -1.108 114.022 115.700 -0.951 0.000 2.704 484 S HA 0.846 5.317 4.470 0.001 0.000 0.305 484 S C -0.433 173.726 174.600 -0.735 0.000 1.107 484 S CA -1.002 56.574 58.200 -1.040 0.000 0.993 484 S CB 2.098 64.307 63.200 -1.652 0.000 1.110 484 S HN 0.501 nan 8.310 nan 0.000 0.534 485 W N 1.188 122.354 121.300 -0.223 0.000 2.600 485 W HA 0.414 5.074 4.660 0.001 0.000 0.325 485 W C -0.566 175.963 176.519 0.016 0.000 1.034 485 W CA -1.614 55.690 57.345 -0.070 0.000 1.226 485 W CB 1.525 30.903 29.460 -0.135 0.000 1.379 485 W HN 0.760 nan 8.180 nan 0.000 0.466 486 F N 2.337 122.355 119.950 0.114 0.000 2.628 486 F HA 0.348 4.876 4.527 0.001 0.000 0.362 486 F C 0.724 176.439 175.800 -0.143 0.000 1.148 486 F CA 0.667 58.559 58.000 -0.181 0.000 1.352 486 F CB 0.631 39.587 39.000 -0.073 0.000 1.081 486 F HN 0.271 nan 8.300 nan 0.000 0.605 487 G N 5.454 113.541 108.800 -1.189 0.000 2.522 487 G HA2 0.390 4.351 3.960 0.001 0.000 0.318 487 G HA3 0.390 4.351 3.960 0.001 0.000 0.318 487 G C 0.192 174.497 174.900 -0.993 0.000 1.192 487 G CA -0.648 44.020 45.100 -0.720 0.000 0.988 487 G HN 0.786 nan 8.290 nan 0.000 0.480 488 R N 2.516 122.648 120.500 -0.612 0.000 2.051 488 R HA 0.044 4.384 4.340 0.001 0.000 0.225 488 R C 0.881 176.860 176.300 -0.535 0.000 1.155 488 R CA 1.180 56.966 56.100 -0.523 0.000 0.945 488 R CB -0.294 29.799 30.300 -0.345 0.000 0.840 488 R HN 0.616 nan 8.270 nan 0.000 0.432 489 W N 0.208 121.450 121.300 -0.096 0.000 3.305 489 W HA 0.524 5.184 4.660 0.001 0.000 0.392 489 W C -0.011 176.326 176.519 -0.302 0.000 1.121 489 W CA 0.084 57.334 57.345 -0.159 0.000 1.909 489 W CB 0.558 29.928 29.460 -0.148 0.000 1.065 489 W HN 0.262 nan 8.180 nan 0.000 0.714 490 G N -0.428 108.210 108.800 -0.271 0.000 2.755 490 G HA2 0.414 4.374 3.960 0.001 0.000 0.297 490 G HA3 0.414 4.374 3.960 0.001 0.000 0.297 490 G C -1.643 173.099 174.900 -0.263 0.000 1.441 490 G CA -0.831 43.816 45.100 -0.755 0.000 0.964 490 G HN -0.231 nan 8.290 nan 0.000 0.540 491 V N 2.932 122.833 119.914 -0.021 0.000 2.372 491 V HA 0.368 4.489 4.120 0.001 0.000 0.261 491 V C 0.419 176.619 176.094 0.178 0.000 1.055 491 V CA -0.142 62.244 62.300 0.144 0.000 0.930 491 V CB 0.492 32.437 31.823 0.203 0.000 1.031 491 V HN 0.867 nan 8.190 nan 0.000 0.479 492 N N 3.436 122.182 118.700 0.077 0.000 2.714 492 N HA 0.024 4.765 4.740 0.001 0.000 0.312 492 N C 1.101 176.477 175.510 -0.223 0.000 1.297 492 N CA 0.010 52.935 53.050 -0.209 0.000 1.582 492 N CB -0.073 38.115 38.487 -0.498 0.000 0.778 492 N HN 0.257 nan 8.380 nan 0.000 1.341 493 Y N 2.244 122.523 120.300 -0.034 0.000 2.293 493 Y HA 0.233 4.784 4.550 0.001 0.000 0.291 493 Y C 2.314 178.216 175.900 0.003 0.000 1.137 493 Y CA 0.955 59.014 58.100 -0.067 0.000 1.202 493 Y CB -0.156 38.250 38.460 -0.090 0.000 0.990 493 Y HN 0.186 nan 8.280 nan 0.000 0.537 494 L N -1.988 119.424 121.223 0.316 0.000 2.109 494 L HA -0.207 4.134 4.340 0.001 0.000 0.207 494 L C 2.189 179.136 176.870 0.128 0.000 1.086 494 L CA 1.110 56.125 54.840 0.292 0.000 0.760 494 L CB -0.606 41.646 42.059 0.322 0.000 0.910 494 L HN 0.213 nan 8.230 nan 0.000 0.437 495 Y N 0.910 121.130 120.300 -0.133 0.000 2.133 495 Y HA -0.129 4.421 4.550 0.001 0.000 0.287 495 Y C 2.286 177.886 175.900 -0.500 0.000 1.134 495 Y CA 1.489 59.191 58.100 -0.664 0.000 1.133 495 Y CB -0.715 37.245 38.460 -0.833 0.000 0.987 495 Y HN 0.026 nan 8.280 nan 0.000 0.502 496 G N -1.092 107.475 108.800 -0.389 0.000 2.434 496 G HA2 -0.233 3.728 3.960 0.001 0.000 0.214 496 G HA3 -0.233 3.728 3.960 0.001 0.000 0.214 496 G C 1.667 176.433 174.900 -0.223 0.000 1.202 496 G CA 1.471 46.348 45.100 -0.373 0.000 0.788 496 G HN 0.410 nan 8.290 nan 0.000 0.539 497 T N 1.137 115.683 114.554 -0.013 0.000 2.699 497 T HA -0.111 4.239 4.350 0.001 0.000 0.268 497 T C 2.457 177.140 174.700 -0.028 0.000 1.036 497 T CA 1.655 63.839 62.100 0.139 0.000 1.147 497 T CB -0.673 68.247 68.868 0.085 0.000 0.862 497 T HN 0.374 nan 8.240 nan 0.000 0.446 498 G N 0.893 109.620 108.800 -0.122 0.000 2.422 498 G HA2 -0.035 3.926 3.960 0.001 0.000 0.218 498 G HA3 -0.035 3.926 3.960 0.001 0.000 0.218 498 G C 1.775 176.535 174.900 -0.233 0.000 1.146 498 G CA 0.966 45.973 45.100 -0.155 0.000 0.769 498 G HN 0.602 nan 8.290 nan 0.000 0.547 499 A N 0.234 122.823 122.820 -0.386 0.000 1.841 499 A HA 0.106 4.427 4.320 0.001 0.000 0.214 499 A C 2.609 179.996 177.584 -0.328 0.000 1.195 499 A CA 1.861 53.673 52.037 -0.374 0.000 0.611 499 A CB -0.856 17.788 19.000 -0.593 0.000 0.835 499 A HN 0.246 nan 8.150 nan 0.000 0.443 500 V N -0.043 119.599 119.914 -0.453 0.000 2.215 500 V HA -0.314 3.806 4.120 0.001 0.000 0.249 500 V C 2.573 178.411 176.094 -0.426 0.000 1.054 500 V CA 2.333 64.262 62.300 -0.617 0.000 1.012 500 V CB -1.269 29.754 31.823 -1.333 0.000 0.639 500 V HN 0.368 nan 8.190 nan 0.000 0.448 501 V N -0.108 119.621 119.914 -0.308 0.000 2.250 501 V HA -0.344 3.776 4.120 0.001 0.000 0.250 501 V C 2.711 178.725 176.094 -0.133 0.000 1.060 501 V CA 2.645 64.851 62.300 -0.156 0.000 1.030 501 V CB -1.060 30.734 31.823 -0.048 0.000 0.643 501 V HN 0.645 nan 8.190 nan 0.000 0.445 502 S N -0.519 115.108 115.700 -0.122 0.000 2.374 502 S HA -0.237 4.233 4.470 0.001 0.000 0.227 502 S C 2.038 176.570 174.600 -0.113 0.000 1.037 502 S CA 1.885 60.034 58.200 -0.086 0.000 1.024 502 S CB -0.359 62.807 63.200 -0.056 0.000 0.861 502 S HN 0.660 nan 8.310 nan 0.000 0.456 503 A N 1.541 124.266 122.820 -0.158 0.000 1.841 503 A HA 0.109 4.429 4.320 0.001 0.000 0.214 503 A C 2.218 179.723 177.584 -0.131 0.000 1.195 503 A CA 1.415 53.348 52.037 -0.174 0.000 0.611 503 A CB -1.037 17.845 19.000 -0.198 0.000 0.835 503 A HN 0.552 nan 8.150 nan 0.000 0.443 504 L N -0.375 120.768 121.223 -0.134 0.000 2.089 504 L HA -0.255 4.085 4.340 0.001 0.000 0.213 504 L C 2.683 179.527 176.870 -0.044 0.000 1.079 504 L CA 1.779 56.575 54.840 -0.074 0.000 0.758 504 L CB -0.516 41.491 42.059 -0.087 0.000 0.891 504 L HN 0.348 nan 8.230 nan 0.000 0.433 505 K N 0.601 120.965 120.400 -0.060 0.000 2.097 505 K HA -0.155 4.165 4.320 0.001 0.000 0.206 505 K C 2.041 178.624 176.600 -0.028 0.000 1.049 505 K CA 1.667 57.932 56.287 -0.036 0.000 0.933 505 K CB -0.137 32.341 32.500 -0.037 0.000 0.717 505 K HN 0.304 nan 8.250 nan 0.000 0.442 506 A N 0.799 123.586 122.820 -0.055 0.000 1.897 506 A HA -0.093 4.227 4.320 0.001 0.000 0.215 506 A C 2.039 179.614 177.584 -0.015 0.000 1.181 506 A CA 1.598 53.597 52.037 -0.063 0.000 0.620 506 A CB -0.647 18.261 19.000 -0.154 0.000 0.821 506 A HN 0.197 nan 8.150 nan 0.000 0.443 507 V N -2.896 117.021 119.914 0.005 0.000 3.541 507 V HA 0.388 4.509 4.120 0.001 0.000 0.272 507 V C 1.454 177.596 176.094 0.080 0.000 1.215 507 V CA 1.026 63.369 62.300 0.072 0.000 1.176 507 V CB -1.173 30.705 31.823 0.091 0.000 0.854 507 V HN 1.497 nan 8.190 nan 0.000 0.496 508 G N -0.103 108.728 108.800 0.051 0.000 2.195 508 G HA2 -0.221 3.740 3.960 0.001 0.000 0.246 508 G HA3 -0.221 3.740 3.960 0.001 0.000 0.246 508 G C 0.020 174.952 174.900 0.053 0.000 0.984 508 G CA 0.029 45.161 45.100 0.053 0.000 0.633 508 G HN 0.462 nan 8.290 nan 0.000 0.525 509 I N 1.688 122.292 120.570 0.056 0.000 2.932 509 I HA 0.092 4.262 4.170 0.001 0.000 0.295 509 I C 0.756 176.903 176.117 0.049 0.000 1.227 509 I CA -0.195 61.147 61.300 0.069 0.000 1.429 509 I CB 0.256 38.306 38.000 0.083 0.000 1.339 509 I HN 0.265 nan 8.210 nan 0.000 0.589 510 D N 3.388 123.826 120.400 0.062 0.000 2.338 510 D HA 0.045 4.686 4.640 0.001 0.000 0.255 510 D C 1.410 177.720 176.300 0.018 0.000 1.237 510 D CA -0.016 54.011 54.000 0.044 0.000 0.883 510 D CB 0.804 41.639 40.800 0.058 0.000 1.087 510 D HN 0.675 nan 8.370 nan 0.000 0.485 511 T N 1.446 116.000 114.554 -0.000 0.000 2.977 511 T HA -0.204 4.147 4.350 0.001 0.000 0.271 511 T C 1.776 176.460 174.700 -0.026 0.000 1.105 511 T CA 0.643 62.727 62.100 -0.027 0.000 1.116 511 T CB -0.102 68.757 68.868 -0.014 0.000 0.878 511 T HN 0.413 nan 8.240 nan 0.000 0.509 512 R N 0.895 121.396 120.500 0.002 0.000 2.235 512 R HA 0.028 4.369 4.340 0.001 0.000 0.213 512 R C 0.288 176.599 176.300 0.019 0.000 1.059 512 R CA 0.176 56.283 56.100 0.013 0.000 0.997 512 R CB -0.078 30.237 30.300 0.026 0.000 0.884 512 R HN 0.406 nan 8.270 nan 0.000 0.462 513 E N 0.767 120.981 120.200 0.023 0.000 2.537 513 E HA -0.119 4.232 4.350 0.001 0.000 0.269 513 E C -1.853 174.783 176.600 0.060 0.000 1.038 513 E CA -0.808 55.642 56.400 0.084 0.000 0.977 513 E CB 0.366 30.163 29.700 0.163 0.000 0.973 513 E HN 0.134 nan 8.360 nan 0.000 0.456 514 P HA -0.181 nan 4.420 nan 0.000 0.212 514 P C 1.417 178.799 177.300 0.137 0.000 1.180 514 P CA 1.676 64.859 63.100 0.138 0.000 0.906 514 P CB -0.286 31.505 31.700 0.152 0.000 0.782 515 Y N -0.835 119.478 120.300 0.021 0.000 2.241 515 Y HA -0.180 4.370 4.550 0.001 0.000 0.286 515 Y C 1.869 177.792 175.900 0.039 0.000 1.166 515 Y CA 0.678 58.779 58.100 0.002 0.000 1.203 515 Y CB -2.046 36.424 38.460 0.017 0.000 0.977 515 Y HN -0.103 nan 8.280 nan 0.000 0.529 516 I N 0.641 120.855 120.570 -0.593 0.000 2.133 516 I HA -0.230 3.941 4.170 0.001 0.000 0.238 516 I C 2.450 178.489 176.117 -0.130 0.000 1.074 516 I CA 1.340 62.388 61.300 -0.420 0.000 1.342 516 I CB -1.375 36.371 38.000 -0.423 0.000 1.053 516 I HN 0.310 nan 8.210 nan 0.000 0.404 517 Q N 0.870 120.623 119.800 -0.078 0.000 2.077 517 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 517 Q C 2.194 178.205 176.000 0.018 0.000 0.989 517 Q CA 1.499 57.297 55.803 -0.009 0.000 0.853 517 Q CB -0.604 28.140 28.738 0.010 0.000 0.907 517 Q HN 0.486 nan 8.270 nan 0.000 0.418 518 K N 0.153 120.559 120.400 0.011 0.000 2.286 518 K HA -0.137 4.184 4.320 0.001 0.000 0.203 518 K C 1.803 178.422 176.600 0.030 0.000 1.045 518 K CA 1.065 57.366 56.287 0.023 0.000 0.935 518 K CB 0.039 32.539 32.500 0.002 0.000 0.737 518 K HN 0.180 nan 8.250 nan 0.000 0.460 519 A N 0.461 123.280 122.820 -0.001 0.000 1.861 519 A HA -0.028 4.292 4.320 0.001 0.000 0.212 519 A C 1.861 179.536 177.584 0.152 0.000 1.199 519 A CA 0.609 52.660 52.037 0.023 0.000 0.613 519 A CB -0.376 18.641 19.000 0.027 0.000 0.846 519 A HN 0.196 nan 8.150 nan 0.000 0.446 520 L N 0.793 122.077 121.223 0.102 0.000 2.043 520 L HA -0.229 4.112 4.340 0.001 0.000 0.212 520 L C 2.018 178.973 176.870 0.141 0.000 1.075 520 L CA 2.064 56.966 54.840 0.104 0.000 0.752 520 L CB -0.820 41.275 42.059 0.060 0.000 0.891 520 L HN 0.374 nan 8.230 nan 0.000 0.432 521 D N -1.559 118.922 120.400 0.136 0.000 2.104 521 D HA -0.275 4.366 4.640 0.001 0.000 0.194 521 D C 1.945 178.360 176.300 0.192 0.000 0.994 521 D CA 1.424 55.506 54.000 0.137 0.000 0.830 521 D CB -0.365 40.501 40.800 0.110 0.000 0.959 521 D HN 0.489 nan 8.370 nan 0.000 0.452 522 W N 1.982 123.312 121.300 0.050 0.000 2.321 522 W HA -0.265 4.396 4.660 0.001 0.000 0.306 522 W C 2.174 178.784 176.519 0.151 0.000 1.217 522 W CA 1.508 58.902 57.345 0.082 0.000 1.257 522 W CB -0.352 29.089 29.460 -0.032 0.000 1.145 522 W HN -0.237 nan 8.180 nan 0.000 0.509 523 V N 0.960 121.046 119.914 0.288 0.000 2.233 523 V HA -0.349 3.771 4.120 0.001 0.000 0.247 523 V C 2.185 178.425 176.094 0.242 0.000 1.050 523 V CA 2.500 64.868 62.300 0.114 0.000 1.010 523 V CB -1.199 30.648 31.823 0.039 0.000 0.637 523 V HN 0.206 nan 8.190 nan 0.000 0.444 524 E N -0.148 120.203 120.200 0.250 0.000 2.130 524 E HA -0.306 4.044 4.350 0.001 0.000 0.196 524 E C 2.246 178.945 176.600 0.164 0.000 0.998 524 E CA 1.489 58.063 56.400 0.291 0.000 0.806 524 E CB -0.246 29.560 29.700 0.176 0.000 0.738 524 E HN 0.678 nan 8.360 nan 0.000 0.459 525 Q N -0.331 119.515 119.800 0.076 0.000 2.364 525 Q HA -0.150 4.191 4.340 0.001 0.000 0.209 525 Q C 0.933 176.800 176.000 -0.221 0.000 0.977 525 Q CA 0.960 56.720 55.803 -0.070 0.000 0.885 525 Q CB 0.002 28.674 28.738 -0.109 0.000 0.941 525 Q HN 0.444 nan 8.270 nan 0.000 0.464 526 H N -0.957 117.998 119.070 -0.191 0.000 2.652 526 H HA 0.136 4.693 4.556 0.001 0.000 0.274 526 H C -0.120 175.109 175.328 -0.164 0.000 1.021 526 H CA -0.230 55.702 56.048 -0.194 0.000 1.187 526 H CB 0.325 29.886 29.762 -0.335 0.000 1.505 526 H HN 0.119 nan 8.280 nan 0.000 0.530 527 Q N 2.237 121.934 119.800 -0.171 0.000 2.242 527 Q HA -0.040 4.301 4.340 0.001 0.000 0.284 527 Q C -0.275 175.404 176.000 -0.535 0.000 1.130 527 Q CA -0.296 54.988 55.803 -0.866 0.000 0.940 527 Q CB 0.333 28.568 28.738 -0.839 0.000 1.146 527 Q HN 0.369 nan 8.270 nan 0.000 0.388 528 N N 4.863 123.259 118.700 -0.507 0.000 2.340 528 N HA -0.030 4.711 4.740 0.001 0.000 0.236 528 N C -1.844 173.519 175.510 -0.245 0.000 1.296 528 N CA -0.884 51.998 53.050 -0.280 0.000 0.896 528 N CB 0.200 38.569 38.487 -0.198 0.000 1.127 528 N HN 0.498 nan 8.380 nan 0.000 0.442 529 P HA -0.151 nan 4.420 nan 0.000 0.215 529 P C 0.308 177.559 177.300 -0.083 0.000 1.157 529 P CA 1.465 64.501 63.100 -0.107 0.000 0.874 529 P CB -0.034 31.625 31.700 -0.069 0.000 0.790 530 D N -1.861 118.516 120.400 -0.039 0.000 2.407 530 D HA 0.003 4.644 4.640 0.001 0.000 0.234 530 D C 1.422 177.767 176.300 0.074 0.000 1.029 530 D CA 1.051 55.075 54.000 0.040 0.000 0.937 530 D CB -1.100 39.778 40.800 0.130 0.000 0.882 530 D HN 0.298 nan 8.370 nan 0.000 0.531 531 G N -1.366 107.380 108.800 -0.090 0.000 2.253 531 G HA2 -0.198 3.763 3.960 0.001 0.000 0.251 531 G HA3 -0.198 3.763 3.960 0.001 0.000 0.251 531 G C 0.626 175.292 174.900 -0.389 0.000 0.998 531 G CA 0.065 45.060 45.100 -0.176 0.000 0.621 531 G HN 0.866 nan 8.290 nan 0.000 0.524 532 G N -1.602 106.966 108.800 -0.388 0.000 2.531 532 G HA2 0.531 4.491 3.960 0.001 0.000 0.313 532 G HA3 0.531 4.491 3.960 0.001 0.000 0.313 532 G C -0.279 174.231 174.900 -0.651 0.000 1.238 532 G CA -0.602 44.042 45.100 -0.759 0.000 0.994 532 G HN 0.232 nan 8.290 nan 0.000 0.493 533 W N -1.040 120.043 121.300 -0.361 0.000 2.639 533 W HA 0.649 5.309 4.660 0.001 0.000 0.347 533 W C 0.143 176.556 176.519 -0.176 0.000 1.067 533 W CA -0.512 56.715 57.345 -0.196 0.000 1.218 533 W CB 2.374 31.755 29.460 -0.132 0.000 1.393 533 W HN 0.828 nan 8.180 nan 0.000 0.557 534 G N 1.124 110.009 108.800 0.141 0.000 2.732 534 G HA2 0.449 4.410 3.960 0.001 0.000 0.296 534 G HA3 0.449 4.410 3.960 0.001 0.000 0.296 534 G C -2.097 172.861 174.900 0.096 0.000 1.448 534 G CA -0.622 44.516 45.100 0.063 0.000 0.911 534 G HN 0.337 nan 8.290 nan 0.000 0.528 535 E N 1.080 121.322 120.200 0.071 0.000 2.361 535 E HA 0.305 4.655 4.350 0.001 0.000 0.270 535 E C -1.394 175.199 176.600 -0.011 0.000 0.911 535 E CA -0.638 55.814 56.400 0.087 0.000 0.818 535 E CB 1.687 31.486 29.700 0.165 0.000 1.332 535 E HN 0.452 nan 8.360 nan 0.000 0.402 536 D N 2.255 122.606 120.400 -0.082 0.000 2.382 536 D HA 0.011 4.652 4.640 0.001 0.000 0.240 536 D C 0.629 176.782 176.300 -0.246 0.000 1.146 536 D CA -0.188 53.686 54.000 -0.211 0.000 0.897 536 D CB 0.927 41.529 40.800 -0.330 0.000 1.197 536 D HN 0.502 nan 8.370 nan 0.000 0.432 537 C N 2.317 121.356 119.300 -0.435 0.000 2.430 537 C HA -0.022 4.438 4.460 0.001 0.000 0.288 537 C C 2.245 176.994 174.990 -0.402 0.000 1.448 537 C CA 0.171 58.784 59.018 -0.676 0.000 1.784 537 C CB -1.207 25.411 27.740 -1.870 0.000 1.776 537 C HN 0.612 nan 8.230 nan 0.000 0.547 538 R N 1.413 121.741 120.500 -0.287 0.000 2.237 538 R HA -0.092 4.249 4.340 0.001 0.000 0.219 538 R C 2.233 178.592 176.300 0.098 0.000 1.080 538 R CA 1.448 57.502 56.100 -0.077 0.000 0.995 538 R CB -0.295 29.801 30.300 -0.340 0.000 0.875 538 R HN 0.722 nan 8.270 nan 0.000 0.462 539 S N -0.279 115.444 115.700 0.039 0.000 2.493 539 S HA -0.168 4.303 4.470 0.001 0.000 0.243 539 S C 1.282 175.912 174.600 0.050 0.000 0.991 539 S CA 0.904 59.167 58.200 0.106 0.000 0.957 539 S CB -0.299 62.924 63.200 0.039 0.000 0.756 539 S HN 0.356 nan 8.310 nan 0.000 0.521 540 Y N 1.259 121.678 120.300 0.198 0.000 2.490 540 Y HA 0.288 4.839 4.550 0.001 0.000 0.285 540 Y C 2.544 178.569 175.900 0.208 0.000 1.117 540 Y CA 0.435 58.674 58.100 0.231 0.000 1.262 540 Y CB 0.115 38.732 38.460 0.263 0.000 1.043 540 Y HN 0.260 nan 8.280 nan 0.000 0.553 541 E N -0.318 120.080 120.200 0.330 0.000 2.152 541 E HA -0.004 4.347 4.350 0.001 0.000 0.195 541 E C -0.163 176.575 176.600 0.229 0.000 0.934 541 E CA 0.604 57.163 56.400 0.264 0.000 0.869 541 E CB 0.021 29.878 29.700 0.260 0.000 0.842 541 E HN 0.221 nan 8.360 nan 0.000 0.472 542 D N 1.431 121.987 120.400 0.260 0.000 2.425 542 D HA 0.119 4.759 4.640 0.001 0.000 0.240 542 D C -1.857 174.579 176.300 0.228 0.000 1.080 542 D CA -2.278 51.862 54.000 0.234 0.000 0.836 542 D CB 1.858 42.823 40.800 0.275 0.000 1.125 542 D HN -0.226 nan 8.370 nan 0.000 0.525 543 P HA -0.115 nan 4.420 nan 0.000 0.228 543 P C 0.916 178.277 177.300 0.102 0.000 1.151 543 P CA 0.493 63.678 63.100 0.142 0.000 0.770 543 P CB 0.255 32.008 31.700 0.089 0.000 0.786 544 A N -0.835 122.014 122.820 0.048 0.000 2.015 544 A HA -0.152 4.169 4.320 0.001 0.000 0.219 544 A C 1.735 179.279 177.584 -0.067 0.000 1.163 544 A CA 0.943 52.946 52.037 -0.058 0.000 0.646 544 A CB -1.535 17.360 19.000 -0.176 0.000 0.806 544 A HN 0.111 nan 8.150 nan 0.000 0.448 545 Y N -0.054 120.300 120.300 0.090 0.000 2.529 545 Y HA 0.367 4.918 4.550 0.001 0.000 0.290 545 Y C 1.549 177.533 175.900 0.139 0.000 1.177 545 Y CA -0.371 57.785 58.100 0.092 0.000 1.305 545 Y CB -0.480 38.025 38.460 0.075 0.000 1.047 545 Y HN 0.283 nan 8.280 nan 0.000 0.522 546 A N 0.436 123.432 122.820 0.293 0.000 2.513 546 A HA 0.377 4.697 4.320 0.001 0.000 0.274 546 A C 1.634 179.431 177.584 0.355 0.000 1.115 546 A CA 0.953 53.184 52.037 0.323 0.000 0.792 546 A CB -1.187 17.870 19.000 0.095 0.000 1.053 546 A HN 0.860 nan 8.150 nan 0.000 0.515 547 G N 2.170 111.188 108.800 0.362 0.000 2.176 547 G HA2 -0.228 3.732 3.960 0.001 0.000 0.253 547 G HA3 -0.228 3.732 3.960 0.001 0.000 0.253 547 G C 0.251 175.320 174.900 0.281 0.000 0.979 547 G CA 0.682 45.916 45.100 0.222 0.000 0.641 547 G HN 0.798 nan 8.290 nan 0.000 0.530 548 K N 0.211 120.772 120.400 0.269 0.000 2.118 548 K HA 0.675 4.996 4.320 0.001 0.000 0.254 548 K C 0.427 177.132 176.600 0.175 0.000 0.961 548 K CA 0.056 56.468 56.287 0.207 0.000 0.876 548 K CB 1.888 34.516 32.500 0.214 0.000 1.077 548 K HN 1.187 nan 8.250 nan 0.000 0.440 549 G N -0.018 108.839 108.800 0.094 0.000 2.333 549 G HA2 0.286 4.247 3.960 0.001 0.000 0.330 549 G HA3 0.286 4.247 3.960 0.001 0.000 0.330 549 G C -1.441 173.422 174.900 -0.062 0.000 1.465 549 G CA -0.648 44.444 45.100 -0.012 0.000 0.996 549 G HN 0.658 nan 8.290 nan 0.000 0.655 550 A N 0.488 123.209 122.820 -0.166 0.000 2.531 550 A HA 0.598 4.919 4.320 0.001 0.000 0.236 550 A C 1.122 178.684 177.584 -0.038 0.000 1.062 550 A CA 0.959 52.936 52.037 -0.100 0.000 0.760 550 A CB -0.008 18.900 19.000 -0.152 0.000 0.995 550 A HN 1.818 nan 8.150 nan 0.000 0.501 551 S N 0.938 116.656 115.700 0.030 0.000 2.549 551 S HA 0.441 4.912 4.470 0.001 0.000 0.283 551 S C 0.628 175.275 174.600 0.078 0.000 1.320 551 S CA 0.384 58.571 58.200 -0.021 0.000 1.058 551 S CB 0.329 63.466 63.200 -0.105 0.000 0.882 551 S HN 1.062 nan 8.310 nan 0.000 0.498 552 T N 0.609 115.150 114.554 -0.022 0.000 2.900 552 T HA 0.484 4.834 4.350 0.001 0.000 0.295 552 T C -2.621 172.009 174.700 -0.116 0.000 1.044 552 T CA -2.233 59.887 62.100 0.033 0.000 0.995 552 T CB 1.768 70.662 68.868 0.044 0.000 1.072 552 T HN 0.089 nan 8.240 nan 0.000 0.473 553 P HA -0.188 nan 4.420 nan 0.000 0.215 553 P C 1.934 178.979 177.300 -0.426 0.000 1.157 553 P CA 1.811 64.742 63.100 -0.281 0.000 0.874 553 P CB 0.001 31.506 31.700 -0.325 0.000 0.790 554 S N -0.469 114.965 115.700 -0.444 0.000 2.338 554 S HA -0.230 4.241 4.470 0.001 0.000 0.218 554 S C 2.056 175.890 174.600 -1.277 0.000 1.032 554 S CA 1.045 58.752 58.200 -0.821 0.000 0.999 554 S CB -1.602 61.138 63.200 -0.768 0.000 0.905 554 S HN 0.180 nan 8.310 nan 0.000 0.439 555 Q N 0.729 119.974 119.800 -0.925 0.000 2.135 555 Q HA -0.088 4.253 4.340 0.001 0.000 0.204 555 Q C 2.333 178.201 176.000 -0.220 0.000 0.981 555 Q CA 1.820 57.343 55.803 -0.466 0.000 0.856 555 Q CB -0.742 27.943 28.738 -0.088 0.000 0.902 555 Q HN 0.634 nan 8.270 nan 0.000 0.425 556 T N 0.705 115.120 114.554 -0.233 0.000 2.821 556 T HA -0.110 4.241 4.350 0.001 0.000 0.267 556 T C 1.911 176.529 174.700 -0.135 0.000 1.046 556 T CA 1.139 63.200 62.100 -0.065 0.000 1.139 556 T CB -0.207 68.507 68.868 -0.258 0.000 0.871 556 T HN 0.412 nan 8.240 nan 0.000 0.454 557 A N 0.888 123.531 122.820 -0.295 0.000 1.898 557 A HA -0.058 4.262 4.320 0.001 0.000 0.216 557 A C 2.110 179.619 177.584 -0.126 0.000 1.181 557 A CA 1.016 52.911 52.037 -0.236 0.000 0.620 557 A CB -0.806 18.023 19.000 -0.286 0.000 0.819 557 A HN 0.536 nan 8.150 nan 0.000 0.442 558 W N -0.317 120.847 121.300 -0.226 0.000 2.353 558 W HA -0.076 4.585 4.660 0.001 0.000 0.319 558 W C 2.843 179.185 176.519 -0.295 0.000 1.207 558 W CA 0.903 58.097 57.345 -0.252 0.000 1.291 558 W CB -1.436 27.882 29.460 -0.235 0.000 1.159 558 W HN 0.420 nan 8.180 nan 0.000 0.478 559 A N -0.117 122.591 122.820 -0.188 0.000 2.024 559 A HA -0.155 4.165 4.320 0.001 0.000 0.220 559 A C 2.054 179.241 177.584 -0.662 0.000 1.164 559 A CA 1.612 53.276 52.037 -0.622 0.000 0.643 559 A CB -0.832 17.286 19.000 -1.469 0.000 0.806 559 A HN 0.215 nan 8.150 nan 0.000 0.451 560 L N -0.898 120.054 121.223 -0.452 0.000 2.072 560 L HA -0.034 4.306 4.340 0.001 0.000 0.205 560 L C 2.542 179.336 176.870 -0.127 0.000 1.079 560 L CA 1.753 56.438 54.840 -0.259 0.000 0.752 560 L CB -0.430 41.553 42.059 -0.127 0.000 0.906 560 L HN 0.415 nan 8.230 nan 0.000 0.436 561 M N -1.546 118.009 119.600 -0.076 0.000 2.175 561 M HA -0.176 4.304 4.480 0.001 0.000 0.264 561 M C 2.278 178.556 176.300 -0.036 0.000 1.063 561 M CA 1.593 56.883 55.300 -0.016 0.000 1.119 561 M CB -0.521 32.098 32.600 0.032 0.000 1.377 561 M HN 0.382 nan 8.290 nan 0.000 0.415 562 A N 0.780 123.554 122.820 -0.077 0.000 1.908 562 A HA -0.159 4.162 4.320 0.001 0.000 0.218 562 A C 2.086 179.643 177.584 -0.044 0.000 1.181 562 A CA 1.525 53.524 52.037 -0.064 0.000 0.627 562 A CB -0.933 18.022 19.000 -0.076 0.000 0.818 562 A HN 0.455 nan 8.150 nan 0.000 0.445 563 L N -0.682 120.502 121.223 -0.065 0.000 2.005 563 L HA -0.142 4.199 4.340 0.001 0.000 0.207 563 L C 2.509 179.393 176.870 0.025 0.000 1.072 563 L CA 1.304 56.137 54.840 -0.013 0.000 0.744 563 L CB -0.612 41.441 42.059 -0.009 0.000 0.895 563 L HN 0.348 nan 8.230 nan 0.000 0.433 564 I N 0.243 120.833 120.570 0.035 0.000 2.248 564 I HA -0.320 3.850 4.170 0.001 0.000 0.248 564 I C 2.758 178.899 176.117 0.039 0.000 1.107 564 I CA 1.274 62.615 61.300 0.069 0.000 1.373 564 I CB -0.495 37.559 38.000 0.090 0.000 1.055 564 I HN 0.246 nan 8.210 nan 0.000 0.418 565 A N 0.710 123.540 122.820 0.017 0.000 1.929 565 A HA -0.016 4.305 4.320 0.001 0.000 0.216 565 A C 2.289 179.873 177.584 0.001 0.000 1.176 565 A CA 1.477 53.516 52.037 0.003 0.000 0.628 565 A CB -1.103 17.888 19.000 -0.015 0.000 0.816 565 A HN 0.448 nan 8.150 nan 0.000 0.444 566 G N -1.824 106.978 108.800 0.003 0.000 2.956 566 G HA2 0.345 4.306 3.960 0.001 0.000 0.207 566 G HA3 0.345 4.306 3.960 0.001 0.000 0.207 566 G C 1.209 176.120 174.900 0.017 0.000 1.162 566 G CA 0.588 45.691 45.100 0.004 0.000 0.796 566 G HN 1.594 nan 8.290 nan 0.000 0.527 567 G N 0.403 109.218 108.800 0.025 0.000 2.267 567 G HA2 -0.328 3.633 3.960 0.001 0.000 0.257 567 G HA3 -0.328 3.633 3.960 0.001 0.000 0.257 567 G C 1.168 176.097 174.900 0.048 0.000 0.998 567 G CA 0.377 45.497 45.100 0.032 0.000 0.620 567 G HN 0.561 nan 8.290 nan 0.000 0.529 568 R N 0.781 121.313 120.500 0.054 0.000 2.391 568 R HA 0.459 4.799 4.340 0.001 0.000 0.225 568 R C 2.558 178.920 176.300 0.104 0.000 1.079 568 R CA 0.588 56.731 56.100 0.072 0.000 1.147 568 R CB -0.204 30.137 30.300 0.070 0.000 1.103 568 R HN 0.502 nan 8.270 nan 0.000 0.499 569 A N 1.417 124.305 122.820 0.114 0.000 1.940 569 A HA -0.195 4.125 4.320 0.001 0.000 0.219 569 A C 1.494 179.229 177.584 0.253 0.000 1.176 569 A CA 1.058 53.212 52.037 0.195 0.000 0.631 569 A CB -0.096 18.997 19.000 0.155 0.000 0.814 569 A HN 0.368 nan 8.150 nan 0.000 0.446 570 E N 0.371 120.663 120.200 0.153 0.000 2.325 570 E HA 0.321 4.672 4.350 0.001 0.000 0.295 570 E C -0.221 176.455 176.600 0.127 0.000 1.461 570 E CA -0.204 56.282 56.400 0.143 0.000 1.698 570 E CB -0.177 29.571 29.700 0.080 0.000 1.496 570 E HN 0.404 nan 8.360 nan 0.000 0.474 571 S N 0.286 116.074 115.700 0.147 0.000 2.715 571 S HA 0.199 4.670 4.470 0.001 0.000 0.307 571 S C 0.766 175.434 174.600 0.114 0.000 1.119 571 S CA -0.624 57.645 58.200 0.115 0.000 0.937 571 S CB 1.655 64.920 63.200 0.109 0.000 1.150 571 S HN 0.371 nan 8.310 nan 0.000 0.521 572 E N 1.694 121.947 120.200 0.089 0.000 2.001 572 E HA 0.059 4.410 4.350 0.001 0.000 0.193 572 E C 2.056 178.701 176.600 0.075 0.000 0.994 572 E CA 2.252 58.694 56.400 0.071 0.000 0.815 572 E CB -0.935 28.794 29.700 0.048 0.000 0.770 572 E HN 0.686 nan 8.360 nan 0.000 0.453 573 A N 1.032 123.904 122.820 0.087 0.000 1.958 573 A HA -0.200 4.121 4.320 0.001 0.000 0.221 573 A C 2.388 180.089 177.584 0.196 0.000 1.178 573 A CA 2.630 54.737 52.037 0.117 0.000 0.642 573 A CB -1.216 17.907 19.000 0.204 0.000 0.816 573 A HN 0.422 nan 8.150 nan 0.000 0.453 574 A N -0.308 122.618 122.820 0.176 0.000 1.828 574 A HA -0.188 4.132 4.320 0.001 0.000 0.215 574 A C 2.241 179.842 177.584 0.028 0.000 1.203 574 A CA 1.927 54.047 52.037 0.138 0.000 0.614 574 A CB -0.683 18.410 19.000 0.155 0.000 0.844 574 A HN 0.548 nan 8.150 nan 0.000 0.445 575 R N -0.953 119.582 120.500 0.059 0.000 2.117 575 R HA -0.178 4.163 4.340 0.001 0.000 0.243 575 R C 2.392 178.704 176.300 0.019 0.000 1.143 575 R CA 1.418 57.541 56.100 0.039 0.000 0.968 575 R CB -0.218 30.166 30.300 0.141 0.000 0.863 575 R HN 0.400 nan 8.270 nan 0.000 0.444 576 R N -0.331 120.187 120.500 0.030 0.000 2.097 576 R HA -0.119 4.222 4.340 0.001 0.000 0.236 576 R C 2.313 178.615 176.300 0.003 0.000 1.135 576 R CA 1.781 57.883 56.100 0.002 0.000 0.934 576 R CB -1.260 29.012 30.300 -0.047 0.000 0.846 576 R HN 0.466 nan 8.270 nan 0.000 0.431 577 G N 0.549 109.358 108.800 0.014 0.000 2.440 577 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 577 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 577 G C 1.608 176.561 174.900 0.088 0.000 1.154 577 G CA 1.050 46.199 45.100 0.081 0.000 0.767 577 G HN 0.202 nan 8.290 nan 0.000 0.552 578 V N 0.624 120.523 119.914 -0.025 0.000 2.392 578 V HA -0.257 3.863 4.120 0.001 0.000 0.249 578 V C 2.758 178.900 176.094 0.079 0.000 1.059 578 V CA 2.278 64.533 62.300 -0.075 0.000 1.051 578 V CB -0.542 31.078 31.823 -0.338 0.000 0.658 578 V HN 0.427 nan 8.190 nan 0.000 0.455 579 Q N -0.314 119.538 119.800 0.088 0.000 2.061 579 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 579 Q C 2.052 178.138 176.000 0.142 0.000 0.984 579 Q CA 2.177 58.045 55.803 0.109 0.000 0.846 579 Q CB -0.707 28.077 28.738 0.076 0.000 0.902 579 Q HN 0.712 nan 8.270 nan 0.000 0.421 580 Y N 0.390 120.707 120.300 0.028 0.000 2.053 580 Y HA -0.288 4.262 4.550 0.001 0.000 0.277 580 Y C 1.768 177.738 175.900 0.117 0.000 1.159 580 Y CA 2.271 60.396 58.100 0.041 0.000 1.125 580 Y CB -0.541 37.918 38.460 -0.002 0.000 0.969 580 Y HN 0.180 nan 8.280 nan 0.000 0.492 581 L N -1.009 120.496 121.223 0.470 0.000 2.043 581 L HA -0.282 4.059 4.340 0.001 0.000 0.212 581 L C 2.372 179.550 176.870 0.514 0.000 1.075 581 L CA 1.511 56.630 54.840 0.465 0.000 0.752 581 L CB -1.079 41.117 42.059 0.228 0.000 0.891 581 L HN 0.172 nan 8.230 nan 0.000 0.432 582 V N -0.141 119.962 119.914 0.314 0.000 2.343 582 V HA -0.265 3.855 4.120 0.001 0.000 0.247 582 V C 2.391 178.551 176.094 0.111 0.000 1.051 582 V CA 1.925 64.359 62.300 0.223 0.000 1.036 582 V CB -0.543 31.384 31.823 0.174 0.000 0.654 582 V HN 0.481 nan 8.190 nan 0.000 0.451 583 E N 0.650 120.885 120.200 0.058 0.000 2.016 583 E HA -0.167 4.183 4.350 0.001 0.000 0.190 583 E C 2.283 178.845 176.600 -0.062 0.000 0.985 583 E CA 1.730 58.113 56.400 -0.029 0.000 0.802 583 E CB -0.507 29.148 29.700 -0.074 0.000 0.762 583 E HN 0.758 nan 8.360 nan 0.000 0.448 584 T N -0.452 114.048 114.554 -0.090 0.000 2.996 584 T HA -0.205 4.146 4.350 0.001 0.000 0.271 584 T C 1.037 175.744 174.700 0.010 0.000 1.126 584 T CA 0.405 62.468 62.100 -0.062 0.000 1.103 584 T CB -0.176 68.596 68.868 -0.161 0.000 0.870 584 T HN 0.056 nan 8.240 nan 0.000 0.528 585 Q N 1.227 120.980 119.800 -0.077 0.000 2.395 585 Q HA 0.131 4.471 4.340 0.001 0.000 0.271 585 Q C -0.090 175.638 176.000 -0.453 0.000 1.026 585 Q CA -0.366 55.044 55.803 -0.656 0.000 0.900 585 Q CB 0.573 28.899 28.738 -0.688 0.000 1.266 585 Q HN 0.481 nan 8.270 nan 0.000 0.430 586 R N 3.310 123.486 120.500 -0.539 0.000 2.546 586 R HA 0.163 4.504 4.340 0.001 0.000 0.266 586 R C -1.717 174.398 176.300 -0.308 0.000 1.086 586 R CA -1.701 54.198 56.100 -0.336 0.000 1.160 586 R CB 0.039 30.157 30.300 -0.303 0.000 1.138 586 R HN 0.563 nan 8.270 nan 0.000 0.567 587 P HA -0.178 nan 4.420 nan 0.000 0.218 587 P C 0.377 177.569 177.300 -0.181 0.000 1.148 587 P CA 1.289 64.290 63.100 -0.166 0.000 0.822 587 P CB 0.109 31.739 31.700 -0.116 0.000 0.784 588 D N -1.894 118.369 120.400 -0.227 0.000 2.355 588 D HA 0.011 4.652 4.640 0.001 0.000 0.218 588 D C 1.429 177.528 176.300 -0.334 0.000 1.004 588 D CA 1.040 54.904 54.000 -0.227 0.000 0.880 588 D CB -0.624 40.040 40.800 -0.227 0.000 0.911 588 D HN 0.247 nan 8.370 nan 0.000 0.528 589 G N -0.237 108.303 108.800 -0.433 0.000 2.176 589 G HA2 -0.179 3.781 3.960 0.001 0.000 0.232 589 G HA3 -0.179 3.781 3.960 0.001 0.000 0.232 589 G C 0.677 175.127 174.900 -0.749 0.000 0.986 589 G CA 0.202 45.010 45.100 -0.487 0.000 0.643 589 G HN 0.773 nan 8.290 nan 0.000 0.522 590 G N -1.588 106.643 108.800 -0.948 0.000 2.546 590 G HA2 0.511 4.472 3.960 0.001 0.000 0.239 590 G HA3 0.511 4.472 3.960 0.001 0.000 0.239 590 G C -0.321 174.343 174.900 -0.394 0.000 1.476 590 G CA -0.162 44.488 45.100 -0.749 0.000 1.064 590 G HN 0.438 nan 8.290 nan 0.000 0.561 591 W N -1.207 120.186 121.300 0.156 0.000 3.363 591 W HA 0.309 4.969 4.660 0.001 0.000 0.306 591 W C -1.428 175.110 176.519 0.031 0.000 1.253 591 W CA -0.587 56.793 57.345 0.058 0.000 1.195 591 W CB 1.886 31.371 29.460 0.042 0.000 1.366 591 W HN 0.390 nan 8.180 nan 0.000 0.551 592 D N 1.282 121.841 120.400 0.264 0.000 2.268 592 D HA 0.360 5.001 4.640 0.001 0.000 0.249 592 D C -0.806 175.572 176.300 0.129 0.000 1.008 592 D CA -0.197 53.891 54.000 0.147 0.000 0.939 592 D CB 2.360 43.214 40.800 0.091 0.000 1.170 592 D HN 0.322 nan 8.370 nan 0.000 0.468 593 E N 1.265 121.510 120.200 0.075 0.000 2.712 593 E HA 0.120 4.470 4.350 0.001 0.000 0.372 593 E C -2.207 174.398 176.600 0.009 0.000 1.058 593 E CA -1.032 55.410 56.400 0.071 0.000 0.747 593 E CB 1.350 31.104 29.700 0.089 0.000 1.596 593 E HN 0.102 nan 8.360 nan 0.000 0.380 594 P HA -0.009 nan 4.420 nan 0.000 0.247 594 P C -0.623 176.402 177.300 -0.460 0.000 1.225 594 P CA 0.419 63.315 63.100 -0.341 0.000 0.768 594 P CB -0.120 31.272 31.700 -0.514 0.000 1.020 595 Y N -1.197 119.163 120.300 0.100 0.000 2.562 595 Y HA 0.406 4.957 4.550 0.001 0.000 0.343 595 Y C 0.672 176.728 175.900 0.261 0.000 1.025 595 Y CA -1.464 56.697 58.100 0.102 0.000 1.082 595 Y CB 0.573 39.075 38.460 0.070 0.000 1.264 595 Y HN -0.216 nan 8.280 nan 0.000 0.478 596 Y N 0.604 121.051 120.300 0.244 0.000 2.299 596 Y HA 0.261 4.811 4.550 0.001 0.000 0.326 596 Y C 1.160 177.148 175.900 0.147 0.000 1.164 596 Y CA -0.900 57.297 58.100 0.162 0.000 1.234 596 Y CB 1.167 39.703 38.460 0.128 0.000 1.219 596 Y HN 0.691 nan 8.280 nan 0.000 0.497 597 T N -1.880 112.868 114.554 0.323 0.000 3.058 597 T HA 0.379 4.729 4.350 0.001 0.000 0.278 597 T C 0.506 175.398 174.700 0.320 0.000 0.974 597 T CA 0.018 62.307 62.100 0.315 0.000 0.893 597 T CB 0.011 69.050 68.868 0.285 0.000 1.138 597 T HN 0.655 nan 8.240 nan 0.000 0.529 598 G N 0.490 109.442 108.800 0.253 0.000 2.417 598 G HA2 0.578 4.538 3.960 0.001 0.000 0.334 598 G HA3 0.578 4.538 3.960 0.001 0.000 0.334 598 G C -1.103 173.907 174.900 0.184 0.000 1.150 598 G CA -0.547 44.675 45.100 0.204 0.000 0.923 598 G HN 0.207 nan 8.290 nan 0.000 0.485 599 T N 0.264 114.875 114.554 0.096 0.000 2.848 599 T HA 0.556 4.906 4.350 0.001 0.000 0.285 599 T C 0.999 175.626 174.700 -0.123 0.000 0.995 599 T CA 0.192 62.273 62.100 -0.032 0.000 0.970 599 T CB 1.923 70.691 68.868 -0.167 0.000 0.976 599 T HN 0.641 nan 8.240 nan 0.000 0.441 600 G N 1.444 110.066 108.800 -0.296 0.000 2.641 600 G HA2 0.353 4.314 3.960 0.001 0.000 0.211 600 G HA3 0.353 4.314 3.960 0.001 0.000 0.211 600 G C -0.459 173.922 174.900 -0.865 0.000 1.190 600 G CA 0.129 44.974 45.100 -0.425 0.000 0.842 600 G HN 0.533 nan 8.290 nan 0.000 0.585 601 F N 0.939 120.624 119.950 -0.441 0.000 2.579 601 F HA 0.468 4.995 4.527 0.001 0.000 0.325 601 F C -2.542 172.849 175.800 -0.682 0.000 1.162 601 F CA -3.190 54.480 58.000 -0.550 0.000 0.946 601 F CB 2.114 40.809 39.000 -0.508 0.000 1.211 601 F HN -0.149 nan 8.300 nan 0.000 0.447 602 P HA 0.121 nan 4.420 nan 0.000 0.258 602 P C 0.849 177.965 177.300 -0.306 0.000 1.172 602 P CA 1.431 64.184 63.100 -0.578 0.000 0.762 602 P CB 0.361 31.974 31.700 -0.145 0.000 0.764 603 G N 3.104 111.763 108.800 -0.234 0.000 2.189 603 G HA2 -0.264 3.696 3.960 0.001 0.000 0.267 603 G HA3 -0.264 3.696 3.960 0.001 0.000 0.267 603 G C 0.668 175.583 174.900 0.025 0.000 0.975 603 G CA 0.448 45.604 45.100 0.093 0.000 0.644 603 G HN 0.507 nan 8.290 nan 0.000 0.537 604 D N -1.942 118.324 120.400 -0.224 0.000 2.434 604 D HA 0.256 4.896 4.640 0.001 0.000 0.288 604 D C -0.099 176.233 176.300 0.053 0.000 1.083 604 D CA 0.225 54.153 54.000 -0.121 0.000 0.903 604 D CB 0.635 41.070 40.800 -0.608 0.000 1.476 604 D HN 0.239 nan 8.370 nan 0.000 0.502 605 F N 1.204 120.899 119.950 -0.424 0.000 2.557 605 F HA 0.402 4.930 4.527 0.001 0.000 0.316 605 F C -1.639 173.821 175.800 -0.567 0.000 1.141 605 F CA -0.837 57.014 58.000 -0.249 0.000 0.922 605 F CB 1.265 40.190 39.000 -0.125 0.000 1.194 605 F HN -0.303 nan 8.300 nan 0.000 0.443 606 Y N 5.244 125.331 120.300 -0.356 0.000 2.485 606 Y HA 0.737 5.287 4.550 0.001 0.000 0.345 606 Y C -0.730 174.927 175.900 -0.405 0.000 0.998 606 Y CA -1.016 56.953 58.100 -0.218 0.000 1.059 606 Y CB 1.882 40.388 38.460 0.078 0.000 1.234 606 Y HN 0.389 nan 8.280 nan 0.000 0.461 607 L N 1.110 122.222 121.223 -0.184 0.000 2.319 607 L HA 0.863 5.203 4.340 0.001 0.000 0.267 607 L C 0.166 176.596 176.870 -0.734 0.000 1.011 607 L CA -1.149 53.414 54.840 -0.461 0.000 0.818 607 L CB 2.177 44.101 42.059 -0.225 0.000 1.316 607 L HN 0.842 nan 8.230 nan 0.000 0.432 608 G N 0.392 108.633 108.800 -0.932 0.000 2.744 608 G HA2 0.464 4.425 3.960 0.001 0.000 0.309 608 G HA3 0.464 4.425 3.960 0.001 0.000 0.309 608 G C -1.401 173.283 174.900 -0.359 0.000 1.328 608 G CA -0.190 44.486 45.100 -0.706 0.000 1.034 608 G HN 0.282 nan 8.290 nan 0.000 0.518 609 Y N 2.346 122.432 120.300 -0.358 0.000 2.539 609 Y HA 0.168 4.718 4.550 0.001 0.000 0.352 609 Y C 2.078 177.870 175.900 -0.179 0.000 1.004 609 Y CA -0.101 57.761 58.100 -0.396 0.000 1.278 609 Y CB 1.205 38.963 38.460 -1.170 0.000 1.136 609 Y HN 0.513 nan 8.280 nan 0.000 0.528 610 T N 2.592 117.150 114.554 0.006 0.000 2.720 610 T HA -0.180 4.170 4.350 0.001 0.000 0.268 610 T C 1.982 176.775 174.700 0.155 0.000 1.037 610 T CA 1.348 63.489 62.100 0.069 0.000 1.144 610 T CB -0.045 68.844 68.868 0.034 0.000 0.864 610 T HN 0.540 nan 8.240 nan 0.000 0.444 611 M N -0.181 119.553 119.600 0.224 0.000 2.349 611 M HA 0.063 4.543 4.480 0.001 0.000 0.266 611 M C 1.886 178.354 176.300 0.281 0.000 1.076 611 M CA 0.938 56.402 55.300 0.274 0.000 1.126 611 M CB -1.097 31.628 32.600 0.209 0.000 1.392 611 M HN 0.230 nan 8.290 nan 0.000 0.440 612 Y N 1.771 122.159 120.300 0.147 0.000 2.096 612 Y HA -0.286 4.264 4.550 0.001 0.000 0.278 612 Y C 2.552 178.487 175.900 0.059 0.000 1.192 612 Y CA 1.925 60.153 58.100 0.213 0.000 1.143 612 Y CB -1.235 37.451 38.460 0.377 0.000 0.963 612 Y HN 0.408 nan 8.280 nan 0.000 0.505 613 R N -0.698 119.849 120.500 0.079 0.000 2.241 613 R HA -0.151 4.190 4.340 0.001 0.000 0.224 613 R C 1.188 177.409 176.300 -0.132 0.000 1.101 613 R CA 1.859 57.882 56.100 -0.130 0.000 0.995 613 R CB -0.603 29.570 30.300 -0.211 0.000 0.870 613 R HN 0.427 nan 8.270 nan 0.000 0.463 614 H N -0.196 119.009 119.070 0.226 0.000 2.481 614 H HA 0.169 4.725 4.556 0.001 0.000 0.291 614 H C 2.293 177.675 175.328 0.091 0.000 1.009 614 H CA 0.693 56.923 56.048 0.303 0.000 1.282 614 H CB 0.049 30.022 29.762 0.351 0.000 1.457 614 H HN -0.005 nan 8.280 nan 0.000 0.525 615 V N 1.348 121.271 119.914 0.014 0.000 2.221 615 V HA -0.213 3.908 4.120 0.001 0.000 0.242 615 V C 2.281 178.186 176.094 -0.315 0.000 1.041 615 V CA 1.812 63.946 62.300 -0.275 0.000 0.995 615 V CB -0.873 30.616 31.823 -0.557 0.000 0.635 615 V HN 0.088 nan 8.190 nan 0.000 0.448 616 F N 0.268 120.103 119.950 -0.193 0.000 2.120 616 F HA -0.093 4.434 4.527 0.001 0.000 0.300 616 F C 0.098 175.738 175.800 -0.267 0.000 1.095 616 F CA 1.854 59.719 58.000 -0.226 0.000 1.249 616 F CB -2.366 36.454 39.000 -0.300 0.000 0.995 616 F HN 0.272 nan 8.300 nan 0.000 0.480 617 P HA -0.118 nan 4.420 nan 0.000 0.216 617 P C 1.627 178.791 177.300 -0.227 0.000 1.150 617 P CA 2.106 64.930 63.100 -0.461 0.000 0.837 617 P CB -0.187 30.800 31.700 -1.189 0.000 0.786 618 T N -0.247 114.263 114.554 -0.074 0.000 2.770 618 T HA -0.110 4.240 4.350 0.001 0.000 0.263 618 T C 1.667 176.355 174.700 -0.021 0.000 1.039 618 T CA 0.853 62.977 62.100 0.041 0.000 1.142 618 T CB -0.960 67.942 68.868 0.056 0.000 0.868 618 T HN -0.000 nan 8.240 nan 0.000 0.435 619 L N 1.415 122.593 121.223 -0.074 0.000 2.079 619 L HA 0.009 4.350 4.340 0.001 0.000 0.210 619 L C 2.511 179.375 176.870 -0.010 0.000 1.081 619 L CA 1.790 56.590 54.840 -0.067 0.000 0.752 619 L CB -0.904 41.101 42.059 -0.089 0.000 0.896 619 L HN 0.224 nan 8.230 nan 0.000 0.433 620 A N -0.555 122.262 122.820 -0.005 0.000 1.855 620 A HA -0.132 4.189 4.320 0.001 0.000 0.215 620 A C 2.220 179.808 177.584 0.008 0.000 1.191 620 A CA 1.821 53.857 52.037 -0.002 0.000 0.613 620 A CB -0.896 18.074 19.000 -0.049 0.000 0.829 620 A HN 0.467 nan 8.150 nan 0.000 0.442 621 L N -0.527 120.697 121.223 0.001 0.000 2.131 621 L HA -0.136 4.204 4.340 0.001 0.000 0.210 621 L C 2.763 179.638 176.870 0.008 0.000 1.092 621 L CA 0.997 55.850 54.840 0.021 0.000 0.759 621 L CB -0.811 41.298 42.059 0.083 0.000 0.903 621 L HN 0.515 nan 8.230 nan 0.000 0.435 622 G N -0.154 108.653 108.800 0.012 0.000 2.402 622 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 622 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 622 G C 1.758 176.656 174.900 -0.002 0.000 1.162 622 G CA 0.259 45.359 45.100 0.001 0.000 0.777 622 G HN 0.291 nan 8.290 nan 0.000 0.539 623 R N -1.298 119.212 120.500 0.018 0.000 2.193 623 R HA 0.047 4.387 4.340 0.001 0.000 0.213 623 R C 2.119 178.446 176.300 0.044 0.000 1.055 623 R CA 0.561 56.679 56.100 0.030 0.000 0.995 623 R CB -0.251 30.076 30.300 0.046 0.000 0.893 623 R HN 0.490 nan 8.270 nan 0.000 0.459 624 Y N 1.648 121.881 120.300 -0.112 0.000 2.286 624 Y HA -0.056 4.495 4.550 0.001 0.000 0.293 624 Y C 2.051 177.824 175.900 -0.211 0.000 1.124 624 Y CA 1.132 59.140 58.100 -0.153 0.000 1.178 624 Y CB 0.104 38.439 38.460 -0.208 0.000 1.010 624 Y HN -0.227 nan 8.280 nan 0.000 0.536 625 K N -0.315 119.922 120.400 -0.271 0.000 2.504 625 K HA -0.115 4.205 4.320 0.001 0.000 0.195 625 K C 1.590 178.111 176.600 -0.131 0.000 1.036 625 K CA 0.758 56.877 56.287 -0.280 0.000 0.984 625 K CB 0.171 32.594 32.500 -0.128 0.000 0.788 625 K HN 0.344 nan 8.250 nan 0.000 0.488 626 Q N -0.638 119.100 119.800 -0.104 0.000 2.204 626 Q HA 0.056 4.397 4.340 0.001 0.000 0.198 626 Q C 1.901 177.859 176.000 -0.069 0.000 0.946 626 Q CA 1.027 56.798 55.803 -0.054 0.000 0.859 626 Q CB 0.131 28.857 28.738 -0.020 0.000 0.946 626 Q HN 0.331 nan 8.270 nan 0.000 0.474 627 A N -0.015 122.738 122.820 -0.111 0.000 2.172 627 A HA -0.058 4.262 4.320 0.001 0.000 0.216 627 A C 1.626 179.135 177.584 -0.126 0.000 1.154 627 A CA 0.978 52.954 52.037 -0.101 0.000 0.701 627 A CB -0.066 18.879 19.000 -0.092 0.000 0.789 627 A HN 0.213 nan 8.150 nan 0.000 0.465 628 I N -2.124 118.345 120.570 -0.168 0.000 3.534 628 I HA 0.477 4.647 4.170 0.001 0.000 0.251 628 I C 1.042 177.133 176.117 -0.043 0.000 1.136 628 I CA 1.508 62.739 61.300 -0.115 0.000 1.475 628 I CB 0.062 37.968 38.000 -0.156 0.000 1.526 628 I HN 0.345 nan 8.210 nan 0.000 0.454 629 E N 0.000 120.186 120.200 -0.024 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440