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 3sqc_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 VYYPDVCDTA 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 ALGRYKQAI 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 0.000 177.480 177.584 -0.173 0.000 1.274 10 A CA 0.000 51.918 52.037 -0.199 0.000 0.836 10 A CB 0.000 18.956 19.000 -0.072 0.000 0.831 11 Y N 0.585 120.932 120.300 0.078 0.000 2.509 11 Y HA 0.482 5.033 4.550 0.001 0.000 0.293 11 Y C 2.267 178.219 175.900 0.088 0.000 1.133 11 Y CA 0.810 58.960 58.100 0.083 0.000 1.283 11 Y CB -1.239 37.277 38.460 0.094 0.000 1.001 11 Y HN 0.407 nan 8.280 nan 0.000 0.555 12 A N 1.884 124.574 122.820 -0.217 0.000 1.869 12 A HA -0.306 4.014 4.320 0.001 0.000 0.218 12 A C 2.477 180.098 177.584 0.062 0.000 1.203 12 A CA 2.397 54.427 52.037 -0.012 0.000 0.638 12 A CB -0.928 17.987 19.000 -0.143 0.000 0.831 12 A HN 0.527 nan 8.150 nan 0.000 0.450 13 R N -1.289 119.217 120.500 0.010 0.000 2.115 13 R HA -0.097 4.243 4.340 0.001 0.000 0.230 13 R C 2.180 178.505 176.300 0.042 0.000 1.111 13 R CA 1.719 57.829 56.100 0.018 0.000 0.976 13 R CB -0.447 29.846 30.300 -0.011 0.000 0.870 13 R HN 0.592 nan 8.270 nan 0.000 0.445 14 T N 1.418 116.018 114.554 0.076 0.000 2.708 14 T HA -0.137 4.213 4.350 0.001 0.000 0.266 14 T C 1.771 176.560 174.700 0.149 0.000 1.037 14 T CA 1.018 63.178 62.100 0.099 0.000 1.146 14 T CB -0.118 68.856 68.868 0.177 0.000 0.865 14 T HN 0.180 nan 8.240 nan 0.000 0.435 15 L N 0.826 122.170 121.223 0.202 0.000 2.017 15 L HA -0.156 4.185 4.340 0.001 0.000 0.208 15 L C 2.476 179.430 176.870 0.140 0.000 1.073 15 L CA 1.478 56.439 54.840 0.202 0.000 0.745 15 L CB -0.439 41.756 42.059 0.226 0.000 0.894 15 L HN 0.209 nan 8.230 nan 0.000 0.432 16 D N -0.288 120.176 120.400 0.107 0.000 2.116 16 D HA -0.216 4.424 4.640 0.001 0.000 0.193 16 D C 2.278 178.616 176.300 0.063 0.000 0.998 16 D CA 1.322 55.367 54.000 0.076 0.000 0.836 16 D CB -0.144 40.688 40.800 0.054 0.000 0.951 16 D HN 0.285 nan 8.370 nan 0.000 0.449 17 R N 0.448 120.971 120.500 0.040 0.000 2.096 17 R HA -0.016 4.324 4.340 0.001 0.000 0.235 17 R C 2.282 178.602 176.300 0.033 0.000 1.127 17 R CA 1.100 57.203 56.100 0.005 0.000 0.968 17 R CB -0.164 30.096 30.300 -0.067 0.000 0.861 17 R HN 0.104 nan 8.270 nan 0.000 0.440 18 A N 0.557 123.421 122.820 0.074 0.000 1.873 18 A HA -0.093 4.227 4.320 0.001 0.000 0.215 18 A C 2.325 180.022 177.584 0.187 0.000 1.186 18 A CA 1.201 53.345 52.037 0.178 0.000 0.616 18 A CB -0.534 18.677 19.000 0.352 0.000 0.823 18 A HN 0.094 nan 8.150 nan 0.000 0.442 19 V N 1.463 121.455 119.914 0.131 0.000 2.255 19 V HA -0.332 3.788 4.120 0.001 0.000 0.247 19 V C 2.623 178.767 176.094 0.082 0.000 1.051 19 V CA 2.474 64.826 62.300 0.087 0.000 1.018 19 V CB -1.120 30.743 31.823 0.067 0.000 0.641 19 V HN 0.916 nan 8.190 nan 0.000 0.445 20 E N -0.520 119.731 120.200 0.085 0.000 2.204 20 E HA -0.304 4.047 4.350 0.001 0.000 0.195 20 E C 2.189 178.836 176.600 0.079 0.000 0.990 20 E CA 1.832 58.274 56.400 0.070 0.000 0.821 20 E CB -0.556 29.179 29.700 0.058 0.000 0.750 20 E HN 0.691 nan 8.360 nan 0.000 0.477 21 Y N 1.635 121.925 120.300 -0.015 0.000 2.220 21 Y HA -0.027 4.523 4.550 0.001 0.000 0.291 21 Y C 2.013 177.909 175.900 -0.008 0.000 1.129 21 Y CA 1.158 59.232 58.100 -0.044 0.000 1.161 21 Y CB -0.072 38.332 38.460 -0.094 0.000 0.997 21 Y HN -0.027 nan 8.280 nan 0.000 0.522 22 L N -0.485 120.743 121.223 0.009 0.000 2.046 22 L HA -0.256 4.085 4.340 0.001 0.000 0.208 22 L C 2.286 179.267 176.870 0.186 0.000 1.077 22 L CA 1.356 56.203 54.840 0.013 0.000 0.747 22 L CB -0.590 41.462 42.059 -0.013 0.000 0.896 22 L HN 0.303 nan 8.230 nan 0.000 0.432 23 L N -0.658 120.630 121.223 0.108 0.000 2.201 23 L HA -0.148 4.193 4.340 0.001 0.000 0.212 23 L C 2.761 179.587 176.870 -0.073 0.000 1.105 23 L CA 1.221 56.110 54.840 0.081 0.000 0.775 23 L CB -0.487 41.591 42.059 0.031 0.000 0.913 23 L HN 0.361 nan 8.230 nan 0.000 0.440 24 S N -1.758 113.862 115.700 -0.135 0.000 2.461 24 S HA -0.130 4.341 4.470 0.001 0.000 0.228 24 S C 1.922 176.367 174.600 -0.258 0.000 1.005 24 S CA 0.616 58.699 58.200 -0.195 0.000 0.942 24 S CB -0.623 62.460 63.200 -0.195 0.000 0.776 24 S HN 0.426 nan 8.310 nan 0.000 0.514 25 C N 1.321 120.457 119.300 -0.274 0.000 2.495 25 C HA 0.250 4.711 4.460 0.001 0.000 0.275 25 C C 1.479 176.293 174.990 -0.294 0.000 1.392 25 C CA -0.412 58.468 59.018 -0.230 0.000 1.766 25 C CB -1.377 26.272 27.740 -0.152 0.000 1.933 25 C HN 0.732 nan 8.230 nan 0.000 0.519 26 Q N 1.634 121.121 119.800 -0.523 0.000 2.361 26 Q HA 0.076 4.416 4.340 0.001 0.000 0.276 26 Q C -0.273 175.269 176.000 -0.764 0.000 1.022 26 Q CA 0.583 55.697 55.803 -1.149 0.000 0.898 26 Q CB 0.578 28.469 28.738 -1.412 0.000 1.246 26 Q HN 0.288 nan 8.270 nan 0.000 0.410 27 K N 2.363 122.232 120.400 -0.885 0.000 2.102 27 K HA 0.079 4.400 4.320 0.001 0.000 0.244 27 K C 0.132 176.365 176.600 -0.611 0.000 1.021 27 K CA 0.007 55.864 56.287 -0.717 0.000 0.913 27 K CB 0.584 32.474 32.500 -1.018 0.000 1.062 27 K HN 0.599 nan 8.250 nan 0.000 0.485 28 D N 0.725 120.879 120.400 -0.409 0.000 2.144 28 D HA -0.135 4.505 4.640 0.001 0.000 0.199 28 D C 0.927 177.068 176.300 -0.265 0.000 0.984 28 D CA 1.278 55.109 54.000 -0.283 0.000 0.834 28 D CB 0.127 40.821 40.800 -0.176 0.000 0.955 28 D HN 0.502 nan 8.370 nan 0.000 0.465 29 E N -0.578 119.454 120.200 -0.280 0.000 2.265 29 E HA 0.062 4.413 4.350 0.001 0.000 0.196 29 E C 1.644 178.123 176.600 -0.203 0.000 0.996 29 E CA 1.125 57.450 56.400 -0.125 0.000 0.832 29 E CB -0.140 29.618 29.700 0.096 0.000 0.756 29 E HN 0.361 nan 8.360 nan 0.000 0.491 30 G N -1.111 107.395 108.800 -0.491 0.000 2.192 30 G HA2 -0.228 3.733 3.960 0.001 0.000 0.193 30 G HA3 -0.228 3.733 3.960 0.001 0.000 0.193 30 G C -0.055 174.432 174.900 -0.689 0.000 0.999 30 G CA -0.079 44.729 45.100 -0.488 0.000 0.659 30 G HN 0.309 nan 8.290 nan 0.000 0.503 31 Y N -0.821 118.929 120.300 -0.916 0.000 2.519 31 Y HA 0.852 5.403 4.550 0.001 0.000 0.324 31 Y C 0.096 175.643 175.900 -0.589 0.000 1.214 31 Y CA -2.641 54.906 58.100 -0.922 0.000 1.260 31 Y CB 0.999 38.408 38.460 -1.752 0.000 1.311 31 Y HN 0.078 nan 8.280 nan 0.000 0.505 32 W N 1.298 122.519 121.300 -0.132 0.000 2.627 32 W HA 0.329 4.990 4.660 0.001 0.000 0.339 32 W C -1.750 174.910 176.519 0.235 0.000 1.058 32 W CA -0.904 56.418 57.345 -0.038 0.000 1.223 32 W CB 2.063 31.475 29.460 -0.081 0.000 1.389 32 W HN 0.768 nan 8.180 nan 0.000 0.541 33 W N 2.782 124.202 121.300 0.199 0.000 2.525 33 W HA 0.442 5.103 4.660 0.001 0.000 0.294 33 W C -0.782 175.775 176.519 0.063 0.000 1.044 33 W CA -1.314 56.101 57.345 0.117 0.000 1.169 33 W CB 0.337 29.911 29.460 0.189 0.000 1.042 33 W HN 0.367 nan 8.180 nan 0.000 0.316 34 G N 4.548 113.436 108.800 0.146 0.000 2.420 34 G HA2 0.609 4.569 3.960 0.001 0.000 0.284 34 G HA3 0.609 4.569 3.960 0.001 0.000 0.284 34 G C -2.712 172.071 174.900 -0.196 0.000 1.177 34 G CA -1.234 43.846 45.100 -0.034 0.000 0.841 34 G HN 0.121 nan 8.290 nan 0.000 0.527 35 P HA 0.185 nan 4.420 nan 0.000 0.272 35 P C -0.587 176.597 177.300 -0.193 0.000 1.230 35 P CA -0.484 62.427 63.100 -0.314 0.000 0.788 35 P CB 0.837 32.358 31.700 -0.298 0.000 0.949 36 L N 2.759 123.867 121.223 -0.192 0.000 2.287 36 L HA 0.351 4.691 4.340 0.001 0.000 0.287 36 L C -1.207 175.530 176.870 -0.222 0.000 1.022 36 L CA -0.478 54.224 54.840 -0.232 0.000 0.814 36 L CB 0.464 42.419 42.059 -0.173 0.000 1.217 36 L HN 0.105 nan 8.230 nan 0.000 0.420 37 L N 4.244 125.288 121.223 -0.299 0.000 2.292 37 L HA 0.587 4.927 4.340 0.001 0.000 0.284 37 L C 0.791 177.449 176.870 -0.353 0.000 1.065 37 L CA 0.391 55.084 54.840 -0.245 0.000 0.806 37 L CB 1.015 42.953 42.059 -0.201 0.000 1.175 37 L HN 0.911 nan 8.230 nan 0.000 0.431 38 S N 2.567 118.220 115.700 -0.080 0.000 3.576 38 S HA 0.594 5.065 4.470 0.001 0.000 0.179 38 S C -0.210 174.463 174.600 0.121 0.000 0.977 38 S CA -0.032 58.105 58.200 -0.104 0.000 1.189 38 S CB 0.988 64.136 63.200 -0.086 0.000 1.443 38 S HN 0.644 nan 8.310 nan 0.000 0.874 39 N N -1.185 117.568 118.700 0.089 0.000 2.745 39 N HA 0.354 5.095 4.740 0.001 0.000 0.256 39 N C 0.159 175.759 175.510 0.149 0.000 1.268 39 N CA -0.381 52.754 53.050 0.140 0.000 0.887 39 N CB 0.944 39.483 38.487 0.087 0.000 1.575 39 N HN 0.170 nan 8.380 nan 0.000 0.496 40 V N -0.099 119.884 119.914 0.115 0.000 2.495 40 V HA -0.347 3.774 4.120 0.001 0.000 0.260 40 V C 2.365 178.452 176.094 -0.011 0.000 1.097 40 V CA 2.783 65.102 62.300 0.032 0.000 1.105 40 V CB -1.598 30.052 31.823 -0.287 0.000 0.678 40 V HN 0.976 nan 8.190 nan 0.000 0.469 41 T N -3.391 111.159 114.554 -0.007 0.000 2.929 41 T HA -0.193 4.157 4.350 0.001 0.000 0.271 41 T C 1.736 176.379 174.700 -0.095 0.000 1.085 41 T CA 1.328 63.389 62.100 -0.066 0.000 1.125 41 T CB -0.268 68.579 68.868 -0.035 0.000 0.874 41 T HN 0.312 nan 8.240 nan 0.000 0.494 42 M N 2.148 121.743 119.600 -0.009 0.000 2.067 42 M HA -0.048 4.432 4.480 0.001 0.000 0.260 42 M C 2.495 178.776 176.300 -0.032 0.000 1.069 42 M CA 1.715 56.981 55.300 -0.057 0.000 1.117 42 M CB -1.058 31.601 32.600 0.099 0.000 1.334 42 M HN 0.519 nan 8.290 nan 0.000 0.407 43 E N 0.441 120.680 120.200 0.065 0.000 2.216 43 E HA 0.013 4.363 4.350 0.001 0.000 0.192 43 E C 2.013 178.679 176.600 0.112 0.000 0.988 43 E CA 1.224 57.712 56.400 0.148 0.000 0.834 43 E CB -0.708 29.109 29.700 0.195 0.000 0.772 43 E HN 0.439 nan 8.360 nan 0.000 0.479 44 A N 1.967 124.774 122.820 -0.022 0.000 1.898 44 A HA -0.190 4.130 4.320 0.001 0.000 0.216 44 A C 2.050 179.490 177.584 -0.240 0.000 1.181 44 A CA 1.522 53.485 52.037 -0.123 0.000 0.620 44 A CB -0.417 18.464 19.000 -0.199 0.000 0.819 44 A HN 0.229 nan 8.150 nan 0.000 0.442 45 E N -1.897 118.083 120.200 -0.368 0.000 2.152 45 E HA -0.130 4.220 4.350 0.001 0.000 0.192 45 E C 1.764 178.187 176.600 -0.296 0.000 0.983 45 E CA 1.022 56.978 56.400 -0.739 0.000 0.818 45 E CB -0.259 28.878 29.700 -0.938 0.000 0.758 45 E HN 0.778 nan 8.360 nan 0.000 0.467 46 Y N 0.968 121.234 120.300 -0.057 0.000 2.181 46 Y HA -0.247 4.303 4.550 0.001 0.000 0.288 46 Y C 2.038 177.873 175.900 -0.109 0.000 1.146 46 Y CA 1.103 59.175 58.100 -0.047 0.000 1.164 46 Y CB -0.197 38.267 38.460 0.008 0.000 0.982 46 Y HN -0.175 nan 8.280 nan 0.000 0.515 47 V N 0.510 120.483 119.914 0.097 0.000 2.295 47 V HA -0.335 3.786 4.120 0.001 0.000 0.246 47 V C 2.455 178.456 176.094 -0.155 0.000 1.049 47 V CA 2.107 64.431 62.300 0.040 0.000 1.024 47 V CB -0.697 31.173 31.823 0.079 0.000 0.648 47 V HN 0.464 nan 8.190 nan 0.000 0.447 48 L N -0.956 120.130 121.223 -0.229 0.000 2.056 48 L HA -0.166 4.175 4.340 0.001 0.000 0.207 48 L C 2.462 179.295 176.870 -0.063 0.000 1.078 48 L CA 1.155 55.881 54.840 -0.190 0.000 0.749 48 L CB -0.597 41.348 42.059 -0.190 0.000 0.901 48 L HN 0.353 nan 8.230 nan 0.000 0.433 49 L N -0.190 120.954 121.223 -0.131 0.000 2.012 49 L HA -0.253 4.088 4.340 0.001 0.000 0.210 49 L C 2.605 179.329 176.870 -0.243 0.000 1.073 49 L CA 1.838 56.593 54.840 -0.143 0.000 0.748 49 L CB -0.745 41.029 42.059 -0.475 0.000 0.891 49 L HN 0.247 nan 8.230 nan 0.000 0.431 50 C N -0.702 118.415 119.300 -0.305 0.000 2.413 50 C HA -0.226 4.235 4.460 0.001 0.000 0.276 50 C C 2.729 177.634 174.990 -0.143 0.000 1.236 50 C CA 1.174 60.069 59.018 -0.204 0.000 1.735 50 C CB -1.424 26.242 27.740 -0.123 0.000 2.031 50 C HN 0.824 nan 8.230 nan 0.000 0.474 51 H N 0.699 119.647 119.070 -0.203 0.000 2.321 51 H HA -0.079 4.478 4.556 0.001 0.000 0.300 51 H C 1.896 177.102 175.328 -0.202 0.000 1.087 51 H CA 1.971 57.914 56.048 -0.175 0.000 1.319 51 H CB -0.376 29.151 29.762 -0.391 0.000 1.379 51 H HN 0.470 nan 8.280 nan 0.000 0.501 52 I N 0.112 120.404 120.570 -0.463 0.000 2.226 52 I HA -0.229 3.942 4.170 0.001 0.000 0.245 52 I C 1.780 177.470 176.117 -0.712 0.000 1.100 52 I CA 1.090 61.932 61.300 -0.763 0.000 1.374 52 I CB -0.162 37.520 38.000 -0.529 0.000 1.057 52 I HN 0.285 nan 8.210 nan 0.000 0.413 53 L N 0.035 120.991 121.223 -0.446 0.000 2.599 53 L HA 0.000 4.341 4.340 0.001 0.000 0.230 53 L C 0.387 177.046 176.870 -0.352 0.000 1.141 53 L CA 0.151 54.769 54.840 -0.370 0.000 0.877 53 L CB -0.514 41.320 42.059 -0.376 0.000 1.009 53 L HN 0.270 nan 8.230 nan 0.000 0.447 54 D N 1.753 121.958 120.400 -0.325 0.000 2.772 54 D HA -0.212 4.428 4.640 0.001 0.000 0.233 54 D C 0.247 176.439 176.300 -0.179 0.000 1.143 54 D CA 0.768 54.639 54.000 -0.216 0.000 0.700 54 D CB -0.443 40.247 40.800 -0.184 0.000 1.076 54 D HN 0.362 nan 8.370 nan 0.000 0.430 55 R N -0.289 120.088 120.500 -0.204 0.000 2.748 55 R HA 0.354 4.695 4.340 0.001 0.000 0.283 55 R C -0.653 175.647 176.300 0.001 0.000 1.507 55 R CA -0.597 55.406 56.100 -0.162 0.000 1.666 55 R CB 1.335 31.370 30.300 -0.443 0.000 1.237 55 R HN -0.075 nan 8.270 nan 0.000 0.633 56 V N 1.340 121.279 119.914 0.042 0.000 2.364 56 V HA 0.101 4.221 4.120 0.001 0.000 0.272 56 V C -0.002 176.143 176.094 0.085 0.000 1.036 56 V CA -0.556 61.804 62.300 0.101 0.000 0.880 56 V CB 1.369 33.286 31.823 0.157 0.000 0.991 56 V HN 0.358 nan 8.190 nan 0.000 0.460 57 D N 4.661 125.114 120.400 0.089 0.000 2.428 57 D HA 0.249 4.890 4.640 0.001 0.000 0.221 57 D C 1.343 177.660 176.300 0.029 0.000 1.123 57 D CA -0.478 53.553 54.000 0.051 0.000 0.869 57 D CB 0.795 41.616 40.800 0.034 0.000 1.032 57 D HN 0.229 nan 8.370 nan 0.000 0.506 58 R N 2.649 123.164 120.500 0.025 0.000 2.119 58 R HA -0.183 4.157 4.340 0.001 0.000 0.246 58 R C 1.266 177.568 176.300 0.004 0.000 1.146 58 R CA 1.216 57.325 56.100 0.015 0.000 0.962 58 R CB -0.324 29.981 30.300 0.009 0.000 0.863 58 R HN 0.670 nan 8.270 nan 0.000 0.442 59 D N 0.089 120.483 120.400 -0.010 0.000 2.097 59 D HA -0.182 4.459 4.640 0.001 0.000 0.195 59 D C 1.900 178.166 176.300 -0.056 0.000 0.989 59 D CA 1.047 55.032 54.000 -0.025 0.000 0.827 59 D CB 0.119 40.900 40.800 -0.032 0.000 0.966 59 D HN -0.001 nan 8.370 nan 0.000 0.456 60 R N 0.158 120.594 120.500 -0.106 0.000 2.096 60 R HA -0.077 4.263 4.340 0.001 0.000 0.235 60 R C 2.338 178.570 176.300 -0.113 0.000 1.127 60 R CA 1.100 57.064 56.100 -0.227 0.000 0.968 60 R CB -0.446 29.660 30.300 -0.323 0.000 0.861 60 R HN 0.194 nan 8.270 nan 0.000 0.440 61 M N 0.435 120.029 119.600 -0.010 0.000 2.213 61 M HA -0.090 4.391 4.480 0.001 0.000 0.263 61 M C 1.687 178.030 176.300 0.072 0.000 1.062 61 M CA 1.412 56.749 55.300 0.062 0.000 1.105 61 M CB -0.707 31.939 32.600 0.078 0.000 1.385 61 M HN 0.126 nan 8.290 nan 0.000 0.417 62 E N 0.981 121.209 120.200 0.047 0.000 2.028 62 E HA -0.128 4.223 4.350 0.001 0.000 0.191 62 E C 1.945 178.606 176.600 0.101 0.000 0.988 62 E CA 1.167 57.606 56.400 0.066 0.000 0.799 62 E CB -0.275 29.451 29.700 0.044 0.000 0.755 62 E HN 0.505 nan 8.360 nan 0.000 0.447 63 K N 0.291 120.739 120.400 0.080 0.000 2.281 63 K HA -0.052 4.269 4.320 0.001 0.000 0.203 63 K C 2.145 178.876 176.600 0.219 0.000 1.046 63 K CA 0.695 57.056 56.287 0.123 0.000 0.938 63 K CB -0.030 32.516 32.500 0.077 0.000 0.737 63 K HN 0.146 nan 8.250 nan 0.000 0.458 64 I N 0.069 120.766 120.570 0.211 0.000 2.584 64 I HA -0.147 4.023 4.170 0.001 0.000 0.255 64 I C 2.568 178.862 176.117 0.295 0.000 1.145 64 I CA 0.466 61.945 61.300 0.298 0.000 1.462 64 I CB -0.057 38.096 38.000 0.255 0.000 1.102 64 I HN 0.123 nan 8.210 nan 0.000 0.433 65 R N 1.275 121.903 120.500 0.214 0.000 2.066 65 R HA -0.121 4.219 4.340 0.001 0.000 0.232 65 R C 2.440 178.879 176.300 0.232 0.000 1.131 65 R CA 1.327 57.540 56.100 0.189 0.000 0.955 65 R CB -0.043 30.336 30.300 0.133 0.000 0.851 65 R HN 0.232 nan 8.270 nan 0.000 0.432 66 R N -0.760 119.894 120.500 0.257 0.000 2.091 66 R HA -0.207 4.134 4.340 0.001 0.000 0.238 66 R C 2.243 178.811 176.300 0.448 0.000 1.136 66 R CA 1.792 58.082 56.100 0.316 0.000 0.959 66 R CB -0.567 29.933 30.300 0.334 0.000 0.856 66 R HN 0.342 nan 8.270 nan 0.000 0.437 67 Y N 1.720 122.234 120.300 0.357 0.000 2.133 67 Y HA -0.152 4.398 4.550 0.001 0.000 0.287 67 Y C 2.035 178.147 175.900 0.353 0.000 1.134 67 Y CA 1.378 59.712 58.100 0.390 0.000 1.133 67 Y CB -0.476 38.129 38.460 0.242 0.000 0.987 67 Y HN -0.094 nan 8.280 nan 0.000 0.502 68 L N -0.688 120.628 121.223 0.155 0.000 2.042 68 L HA -0.259 4.082 4.340 0.001 0.000 0.210 68 L C 2.328 179.424 176.870 0.378 0.000 1.076 68 L CA 0.957 55.865 54.840 0.113 0.000 0.749 68 L CB -0.752 41.378 42.059 0.118 0.000 0.893 68 L HN 0.298 nan 8.230 nan 0.000 0.432 69 L N -0.791 120.603 121.223 0.284 0.000 2.027 69 L HA -0.215 4.126 4.340 0.001 0.000 0.206 69 L C 2.660 179.578 176.870 0.080 0.000 1.074 69 L CA 1.742 56.702 54.840 0.201 0.000 0.745 69 L CB -1.404 40.741 42.059 0.143 0.000 0.898 69 L HN 0.318 nan 8.230 nan 0.000 0.433 70 H N -0.125 118.927 119.070 -0.030 0.000 2.489 70 H HA -0.131 4.425 4.556 0.001 0.000 0.295 70 H C 1.441 176.671 175.328 -0.163 0.000 1.082 70 H CA 1.358 57.302 56.048 -0.173 0.000 1.295 70 H CB 0.514 30.054 29.762 -0.370 0.000 1.380 70 H HN 0.357 nan 8.280 nan 0.000 0.548 71 E N 0.581 120.811 120.200 0.051 0.000 2.400 71 E HA -0.025 4.326 4.350 0.001 0.000 0.195 71 E C 0.757 177.279 176.600 -0.131 0.000 1.012 71 E CA -0.011 56.409 56.400 0.034 0.000 0.875 71 E CB 0.176 29.887 29.700 0.019 0.000 0.859 71 E HN 0.584 nan 8.360 nan 0.000 0.498 72 Q N 1.245 120.826 119.800 -0.365 0.000 2.352 72 Q HA 0.117 4.457 4.340 0.001 0.000 0.260 72 Q C -0.390 175.249 176.000 -0.602 0.000 0.976 72 Q CA -0.015 55.163 55.803 -1.042 0.000 0.881 72 Q CB 0.643 28.763 28.738 -1.030 0.000 1.235 72 Q HN -0.140 nan 8.270 nan 0.000 0.419 73 R N 1.384 121.533 120.500 -0.584 0.000 2.608 73 R HA 0.134 4.474 4.340 0.001 0.000 0.255 73 R C 1.053 177.152 176.300 -0.335 0.000 1.086 73 R CA -0.359 55.511 56.100 -0.384 0.000 1.125 73 R CB 0.365 30.470 30.300 -0.326 0.000 1.193 73 R HN 0.703 nan 8.270 nan 0.000 0.553 74 E N 0.764 120.815 120.200 -0.247 0.000 2.130 74 E HA -0.237 4.114 4.350 0.001 0.000 0.196 74 E C 0.786 177.272 176.600 -0.190 0.000 0.998 74 E CA 1.855 58.137 56.400 -0.195 0.000 0.806 74 E CB -0.070 29.541 29.700 -0.149 0.000 0.738 74 E HN 0.624 nan 8.360 nan 0.000 0.459 75 D N -0.640 119.633 120.400 -0.212 0.000 2.378 75 D HA -0.038 4.602 4.640 0.001 0.000 0.222 75 D C 1.206 177.372 176.300 -0.223 0.000 0.980 75 D CA 0.880 54.761 54.000 -0.198 0.000 0.907 75 D CB -0.252 40.414 40.800 -0.222 0.000 0.899 75 D HN 0.245 nan 8.370 nan 0.000 0.527 76 G N -0.214 108.407 108.800 -0.298 0.000 2.137 76 G HA2 -0.225 3.736 3.960 0.001 0.000 0.237 76 G HA3 -0.225 3.736 3.960 0.001 0.000 0.237 76 G C 0.336 174.959 174.900 -0.461 0.000 1.002 76 G CA 0.604 45.498 45.100 -0.344 0.000 0.702 76 G HN 0.854 nan 8.290 nan 0.000 0.515 77 T N -3.240 110.993 114.554 -0.536 0.000 2.926 77 T HA 0.761 5.112 4.350 0.001 0.000 0.289 77 T C -0.327 174.077 174.700 -0.493 0.000 1.054 77 T CA -0.989 60.847 62.100 -0.440 0.000 1.015 77 T CB 2.375 70.920 68.868 -0.538 0.000 1.167 77 T HN 0.474 nan 8.240 nan 0.000 0.526 78 W N 0.015 121.242 121.300 -0.122 0.000 2.761 78 W HA 0.696 5.356 4.660 0.001 0.000 0.340 78 W C -0.070 176.387 176.519 -0.104 0.000 1.072 78 W CA -1.133 56.154 57.345 -0.098 0.000 1.215 78 W CB 2.392 31.828 29.460 -0.039 0.000 1.420 78 W HN 1.087 nan 8.180 nan 0.000 0.519 79 A N 1.636 124.511 122.820 0.091 0.000 2.347 79 A HA 0.662 4.982 4.320 0.001 0.000 0.301 79 A C 0.450 178.055 177.584 0.034 0.000 1.163 79 A CA -0.542 51.478 52.037 -0.027 0.000 0.860 79 A CB 1.181 20.036 19.000 -0.242 0.000 1.367 79 A HN 0.700 nan 8.150 nan 0.000 0.461 80 L N -1.123 120.126 121.223 0.043 0.000 2.127 80 L HA 0.096 4.437 4.340 0.001 0.000 0.203 80 L C 0.257 177.261 176.870 0.223 0.000 1.080 80 L CA 0.974 55.950 54.840 0.227 0.000 0.768 80 L CB -0.474 41.869 42.059 0.473 0.000 0.924 80 L HN 0.788 nan 8.230 nan 0.000 0.444 81 Y N -1.991 118.246 120.300 -0.105 0.000 2.536 81 Y HA 0.624 5.175 4.550 0.001 0.000 0.347 81 Y C -2.740 172.933 175.900 -0.378 0.000 1.000 81 Y CA -4.381 53.481 58.100 -0.396 0.000 1.051 81 Y CB -0.685 37.573 38.460 -0.336 0.000 1.259 81 Y HN -0.211 nan 8.280 nan 0.000 0.468 82 P HA 0.173 nan 4.420 nan 0.000 0.266 82 P C 0.715 177.950 177.300 -0.110 0.000 1.215 82 P CA 1.475 64.417 63.100 -0.264 0.000 0.763 82 P CB 0.938 32.480 31.700 -0.263 0.000 0.806 83 G N 2.156 110.855 108.800 -0.169 0.000 2.175 83 G HA2 -0.162 3.798 3.960 0.001 0.000 0.244 83 G HA3 -0.162 3.798 3.960 0.001 0.000 0.244 83 G C 0.492 175.223 174.900 -0.281 0.000 0.982 83 G CA -0.142 44.892 45.100 -0.110 0.000 0.641 83 G HN 0.887 nan 8.290 nan 0.000 0.527 84 G N 0.518 108.920 108.800 -0.662 0.000 2.562 84 G HA2 0.656 4.617 3.960 0.001 0.000 0.275 84 G HA3 0.656 4.617 3.960 0.001 0.000 0.275 84 G C -1.343 173.245 174.900 -0.519 0.000 1.196 84 G CA -0.361 44.108 45.100 -1.051 0.000 0.908 84 G HN 0.297 nan 8.290 nan 0.000 0.524 85 P HA 0.166 nan 4.420 nan 0.000 0.270 85 P C -2.517 174.685 177.300 -0.163 0.000 1.223 85 P CA -0.933 62.070 63.100 -0.162 0.000 0.785 85 P CB 0.254 31.935 31.700 -0.032 0.000 0.923 86 P HA 0.047 nan 4.420 nan 0.000 0.268 86 P C -0.438 176.876 177.300 0.022 0.000 1.204 86 P CA 0.492 63.440 63.100 -0.252 0.000 0.768 86 P CB 0.671 31.918 31.700 -0.755 0.000 0.842 87 D N 2.877 123.345 120.400 0.113 0.000 2.256 87 D HA 0.073 4.713 4.640 0.001 0.000 0.240 87 D C 0.986 177.508 176.300 0.370 0.000 1.062 87 D CA -0.590 53.560 54.000 0.249 0.000 0.832 87 D CB 1.647 42.579 40.800 0.220 0.000 1.135 87 D HN 0.067 nan 8.370 nan 0.000 0.484 88 L N 4.909 126.352 121.223 0.367 0.000 1.994 88 L HA -0.135 4.205 4.340 0.001 0.000 0.208 88 L C 1.556 178.540 176.870 0.190 0.000 1.071 88 L CA 1.864 56.873 54.840 0.280 0.000 0.745 88 L CB -0.430 41.685 42.059 0.094 0.000 0.892 88 L HN 0.455 nan 8.230 nan 0.000 0.431 89 D N -0.863 119.633 120.400 0.160 0.000 2.108 89 D HA -0.215 4.425 4.640 0.001 0.000 0.190 89 D C 1.955 178.316 176.300 0.102 0.000 0.995 89 D CA 2.314 56.382 54.000 0.113 0.000 0.834 89 D CB -0.633 40.248 40.800 0.135 0.000 0.967 89 D HN 0.377 nan 8.370 nan 0.000 0.446 90 T N 0.812 115.448 114.554 0.136 0.000 2.699 90 T HA -0.151 4.200 4.350 0.001 0.000 0.268 90 T C 2.070 176.796 174.700 0.043 0.000 1.036 90 T CA 2.001 64.151 62.100 0.084 0.000 1.147 90 T CB -0.609 68.345 68.868 0.143 0.000 0.862 90 T HN 0.177 nan 8.240 nan 0.000 0.446 91 T N 1.775 116.460 114.554 0.217 0.000 2.821 91 T HA 0.088 4.438 4.350 0.001 0.000 0.267 91 T C 1.988 176.817 174.700 0.215 0.000 1.046 91 T CA 0.763 63.079 62.100 0.360 0.000 1.139 91 T CB -0.338 68.858 68.868 0.547 0.000 0.871 91 T HN 0.345 nan 8.240 nan 0.000 0.454 92 I N 0.908 121.560 120.570 0.137 0.000 2.202 92 I HA -0.131 4.040 4.170 0.001 0.000 0.242 92 I C 2.620 178.783 176.117 0.076 0.000 1.091 92 I CA 1.346 62.700 61.300 0.090 0.000 1.368 92 I CB -0.337 37.675 38.000 0.020 0.000 1.058 92 I HN 0.307 nan 8.210 nan 0.000 0.410 93 E N 0.952 121.145 120.200 -0.010 0.000 2.106 93 E HA -0.178 4.172 4.350 0.001 0.000 0.192 93 E C 2.342 178.853 176.600 -0.149 0.000 0.984 93 E CA 1.174 57.525 56.400 -0.081 0.000 0.806 93 E CB -0.143 29.477 29.700 -0.133 0.000 0.750 93 E HN 0.498 nan 8.360 nan 0.000 0.458 94 A N 0.979 123.627 122.820 -0.286 0.000 1.902 94 A HA -0.221 4.100 4.320 0.001 0.000 0.217 94 A C 2.038 179.448 177.584 -0.290 0.000 1.181 94 A CA 1.371 53.060 52.037 -0.581 0.000 0.623 94 A CB -0.804 17.244 19.000 -1.585 0.000 0.818 94 A HN 0.396 nan 8.150 nan 0.000 0.443 95 Y N 0.745 120.941 120.300 -0.173 0.000 2.114 95 Y HA -0.207 4.343 4.550 0.001 0.000 0.284 95 Y C 2.340 178.255 175.900 0.026 0.000 1.143 95 Y CA 2.172 60.292 58.100 0.035 0.000 1.135 95 Y CB -0.352 38.180 38.460 0.119 0.000 0.980 95 Y HN 0.065 nan 8.280 nan 0.000 0.499 96 V N 0.618 120.614 119.914 0.137 0.000 2.407 96 V HA -0.342 3.779 4.120 0.001 0.000 0.248 96 V C 2.652 178.739 176.094 -0.011 0.000 1.055 96 V CA 1.711 64.050 62.300 0.064 0.000 1.049 96 V CB -1.676 30.200 31.823 0.089 0.000 0.662 96 V HN 0.594 nan 8.190 nan 0.000 0.455 97 A N -0.012 122.784 122.820 -0.040 0.000 1.858 97 A HA -0.160 4.161 4.320 0.001 0.000 0.216 97 A C 2.232 179.834 177.584 0.031 0.000 1.190 97 A CA 1.876 53.908 52.037 -0.009 0.000 0.617 97 A CB -0.623 18.347 19.000 -0.049 0.000 0.827 97 A HN 0.472 nan 8.150 nan 0.000 0.443 98 L N -0.688 120.514 121.223 -0.036 0.000 2.042 98 L HA -0.245 4.096 4.340 0.001 0.000 0.210 98 L C 2.677 179.504 176.870 -0.072 0.000 1.076 98 L CA 2.091 56.913 54.840 -0.030 0.000 0.749 98 L CB -0.410 41.634 42.059 -0.025 0.000 0.893 98 L HN 0.473 nan 8.230 nan 0.000 0.432 99 K N -0.838 119.459 120.400 -0.172 0.000 2.147 99 K HA -0.250 4.071 4.320 0.001 0.000 0.205 99 K C 2.209 178.791 176.600 -0.030 0.000 1.049 99 K CA 1.409 57.604 56.287 -0.154 0.000 0.936 99 K CB -0.165 32.194 32.500 -0.235 0.000 0.722 99 K HN 0.196 nan 8.250 nan 0.000 0.446 100 Y N 1.017 121.263 120.300 -0.090 0.000 2.220 100 Y HA -0.073 4.477 4.550 0.001 0.000 0.291 100 Y C 1.616 177.493 175.900 -0.039 0.000 1.129 100 Y CA 1.344 59.403 58.100 -0.067 0.000 1.161 100 Y CB 0.000 38.414 38.460 -0.078 0.000 0.997 100 Y HN -0.023 nan 8.280 nan 0.000 0.522 101 I N -0.648 119.938 120.570 0.026 0.000 2.335 101 I HA -0.220 3.951 4.170 0.001 0.000 0.251 101 I C 2.086 178.145 176.117 -0.096 0.000 1.129 101 I CA 1.840 63.124 61.300 -0.026 0.000 1.402 101 I CB -0.475 37.563 38.000 0.063 0.000 1.069 101 I HN 0.528 nan 8.210 nan 0.000 0.424 102 G N -0.997 107.752 108.800 -0.084 0.000 3.617 102 G HA2 -0.030 3.931 3.960 0.001 0.000 0.217 102 G HA3 -0.030 3.931 3.960 0.001 0.000 0.217 102 G C 0.423 175.295 174.900 -0.046 0.000 0.967 102 G CA -0.604 44.452 45.100 -0.075 0.000 0.878 102 G HN 0.003 nan 8.290 nan 0.000 0.439 103 M N 2.922 122.502 119.600 -0.033 0.000 2.251 103 M HA 0.335 4.816 4.480 0.001 0.000 0.343 103 M C 0.945 177.222 176.300 -0.037 0.000 1.245 103 M CA 0.504 55.789 55.300 -0.024 0.000 1.061 103 M CB 0.765 33.356 32.600 -0.015 0.000 1.723 103 M HN 0.477 nan 8.290 nan 0.000 0.449 104 S N 2.682 118.375 115.700 -0.012 0.000 2.616 104 S HA 0.350 4.821 4.470 0.001 0.000 0.277 104 S C 0.956 175.569 174.600 0.022 0.000 1.234 104 S CA -1.022 57.179 58.200 0.002 0.000 1.028 104 S CB 1.287 64.496 63.200 0.014 0.000 0.988 104 S HN 0.842 nan 8.310 nan 0.000 0.522 105 R N 0.789 121.320 120.500 0.051 0.000 2.249 105 R HA -0.122 4.219 4.340 0.001 0.000 0.230 105 R C 0.266 176.631 176.300 0.108 0.000 1.121 105 R CA 1.626 57.795 56.100 0.116 0.000 0.997 105 R CB -0.767 29.625 30.300 0.153 0.000 0.867 105 R HN 0.628 nan 8.270 nan 0.000 0.465 106 D N 1.572 122.015 120.400 0.071 0.000 2.149 106 D HA -0.084 4.557 4.640 0.001 0.000 0.201 106 D C 0.087 176.420 176.300 0.056 0.000 0.972 106 D CA 0.719 54.755 54.000 0.059 0.000 0.835 106 D CB -0.165 40.660 40.800 0.043 0.000 0.966 106 D HN 0.457 nan 8.370 nan 0.000 0.476 107 E N 1.863 122.094 120.200 0.052 0.000 2.481 107 E HA -0.069 4.282 4.350 0.001 0.000 0.263 107 E C 1.122 177.754 176.600 0.052 0.000 0.992 107 E CA -0.073 56.354 56.400 0.045 0.000 0.938 107 E CB 0.969 30.692 29.700 0.038 0.000 0.933 107 E HN 0.081 nan 8.360 nan 0.000 0.453 108 E N 2.848 123.068 120.200 0.033 0.000 2.113 108 E HA -0.225 4.125 4.350 0.001 0.000 0.210 108 E C -0.639 175.976 176.600 0.026 0.000 1.040 108 E CA 1.937 58.350 56.400 0.022 0.000 0.847 108 E CB -1.297 28.404 29.700 0.002 0.000 0.755 108 E HN 0.474 nan 8.360 nan 0.000 0.459 109 P HA -0.123 nan 4.420 nan 0.000 0.216 109 P C 1.570 178.936 177.300 0.110 0.000 1.153 109 P CA 1.324 64.440 63.100 0.027 0.000 0.848 109 P CB -0.065 31.661 31.700 0.042 0.000 0.787 110 M N -1.026 118.664 119.600 0.151 0.000 2.086 110 M HA -0.148 4.333 4.480 0.001 0.000 0.261 110 M C 2.061 178.530 176.300 0.282 0.000 1.067 110 M CA 1.756 57.218 55.300 0.270 0.000 1.116 110 M CB -1.838 30.876 32.600 0.190 0.000 1.348 110 M HN 0.011 nan 8.290 nan 0.000 0.407 111 Q N 0.818 120.716 119.800 0.163 0.000 2.002 111 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 111 Q C 2.085 178.143 176.000 0.097 0.000 0.988 111 Q CA 1.591 57.465 55.803 0.119 0.000 0.843 111 Q CB -0.588 28.194 28.738 0.074 0.000 0.908 111 Q HN 0.566 nan 8.270 nan 0.000 0.420 112 K N 0.345 120.786 120.400 0.069 0.000 2.063 112 K HA -0.120 4.200 4.320 0.001 0.000 0.208 112 K C 2.130 178.777 176.600 0.078 0.000 1.048 112 K CA 1.248 57.559 56.287 0.040 0.000 0.928 112 K CB -0.210 32.277 32.500 -0.022 0.000 0.713 112 K HN 0.168 nan 8.250 nan 0.000 0.442 113 A N 1.806 124.697 122.820 0.119 0.000 1.858 113 A HA -0.147 4.174 4.320 0.001 0.000 0.216 113 A C 2.150 179.827 177.584 0.154 0.000 1.190 113 A CA 1.090 53.250 52.037 0.205 0.000 0.617 113 A CB -0.766 18.468 19.000 0.390 0.000 0.827 113 A HN 0.241 nan 8.150 nan 0.000 0.443 114 L N -0.761 120.490 121.223 0.048 0.000 2.043 114 L HA -0.243 4.098 4.340 0.001 0.000 0.212 114 L C 2.890 179.735 176.870 -0.042 0.000 1.075 114 L CA 1.683 56.440 54.840 -0.138 0.000 0.752 114 L CB -0.329 41.679 42.059 -0.084 0.000 0.891 114 L HN 0.423 nan 8.230 nan 0.000 0.432 115 R N -1.223 119.299 120.500 0.037 0.000 2.096 115 R HA -0.221 4.119 4.340 0.001 0.000 0.235 115 R C 2.179 178.518 176.300 0.066 0.000 1.127 115 R CA 1.756 57.882 56.100 0.042 0.000 0.968 115 R CB -0.467 29.867 30.300 0.057 0.000 0.861 115 R HN 0.323 nan 8.270 nan 0.000 0.440 116 F N 1.560 121.495 119.950 -0.025 0.000 2.146 116 F HA -0.103 4.425 4.527 0.001 0.000 0.298 116 F C 1.894 177.680 175.800 -0.022 0.000 1.096 116 F CA 1.129 59.119 58.000 -0.017 0.000 1.275 116 F CB -0.242 38.753 39.000 -0.008 0.000 1.008 116 F HN -0.142 nan 8.300 nan 0.000 0.480 117 I N 0.428 120.884 120.570 -0.190 0.000 2.127 117 I HA -0.363 3.807 4.170 0.001 0.000 0.241 117 I C 2.448 178.391 176.117 -0.290 0.000 1.075 117 I CA 1.807 62.919 61.300 -0.312 0.000 1.334 117 I CB -0.771 37.109 38.000 -0.200 0.000 1.040 117 I HN 0.233 nan 8.210 nan 0.000 0.405 118 Q N 0.356 120.047 119.800 -0.183 0.000 2.124 118 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 118 Q C 2.294 178.217 176.000 -0.129 0.000 0.977 118 Q CA 1.953 57.679 55.803 -0.128 0.000 0.850 118 Q CB -0.241 28.455 28.738 -0.071 0.000 0.901 118 Q HN 0.618 nan 8.270 nan 0.000 0.429 119 S N 0.070 115.680 115.700 -0.150 0.000 2.507 119 S HA -0.100 4.371 4.470 0.001 0.000 0.235 119 S C 1.513 176.011 174.600 -0.170 0.000 0.988 119 S CA 0.668 58.795 58.200 -0.121 0.000 0.944 119 S CB 0.120 63.281 63.200 -0.065 0.000 0.762 119 S HN 0.248 nan 8.310 nan 0.000 0.526 120 Q N 0.131 119.769 119.800 -0.270 0.000 2.282 120 Q HA 0.325 4.665 4.340 0.001 0.000 0.206 120 Q C 1.355 177.266 176.000 -0.148 0.000 0.878 120 Q CA 0.650 56.305 55.803 -0.247 0.000 0.944 120 Q CB 0.675 29.163 28.738 -0.416 0.000 1.100 120 Q HN 0.765 nan 8.270 nan 0.000 0.509 121 G N -0.077 108.651 108.800 -0.120 0.000 2.184 121 G HA2 -0.141 3.820 3.960 0.001 0.000 0.206 121 G HA3 -0.141 3.820 3.960 0.001 0.000 0.206 121 G C 0.657 175.506 174.900 -0.084 0.000 0.995 121 G CA 0.101 45.157 45.100 -0.073 0.000 0.651 121 G HN 0.723 nan 8.290 nan 0.000 0.511 122 G N 0.087 108.808 108.800 -0.132 0.000 2.569 122 G HA2 -0.155 3.805 3.960 0.001 0.000 0.259 122 G HA3 -0.155 3.805 3.960 0.001 0.000 0.259 122 G C 1.036 175.833 174.900 -0.171 0.000 1.263 122 G CA 0.256 45.263 45.100 -0.156 0.000 0.928 122 G HN 1.058 nan 8.290 nan 0.000 0.572 123 I N 1.802 122.226 120.570 -0.244 0.000 2.315 123 I HA -0.112 4.059 4.170 0.001 0.000 0.251 123 I C 2.499 178.499 176.117 -0.195 0.000 1.125 123 I CA 2.622 63.748 61.300 -0.290 0.000 1.392 123 I CB -0.799 36.862 38.000 -0.566 0.000 1.065 123 I HN 0.590 nan 8.210 nan 0.000 0.424 124 E N -0.103 120.038 120.200 -0.098 0.000 2.418 124 E HA -0.044 4.306 4.350 0.001 0.000 0.197 124 E C 1.977 178.565 176.600 -0.020 0.000 1.026 124 E CA 0.473 56.873 56.400 0.000 0.000 0.862 124 E CB 0.015 29.756 29.700 0.069 0.000 0.799 124 E HN 0.402 nan 8.360 nan 0.000 0.518 125 S N 0.633 116.302 115.700 -0.052 0.000 2.575 125 S HA 0.016 4.487 4.470 0.001 0.000 0.215 125 S C 0.888 175.469 174.600 -0.032 0.000 0.966 125 S CA -0.153 58.026 58.200 -0.035 0.000 0.911 125 S CB 0.255 63.426 63.200 -0.048 0.000 0.780 125 S HN 0.227 nan 8.310 nan 0.000 0.514 126 S N 2.607 118.269 115.700 -0.064 0.000 2.617 126 S HA 0.411 4.881 4.470 0.001 0.000 0.269 126 S C 0.326 174.894 174.600 -0.052 0.000 1.292 126 S CA -1.071 57.099 58.200 -0.051 0.000 1.010 126 S CB 0.615 63.765 63.200 -0.084 0.000 0.944 126 S HN 0.541 nan 8.310 nan 0.000 0.536 127 R N 0.674 121.166 120.500 -0.014 0.000 2.905 127 R HA 0.180 4.521 4.340 0.001 0.000 0.273 127 R C 0.778 177.004 176.300 -0.125 0.000 1.033 127 R CA -0.530 55.549 56.100 -0.035 0.000 1.182 127 R CB -0.302 30.016 30.300 0.029 0.000 1.097 127 R HN 0.406 nan 8.270 nan 0.000 0.504 128 V N 0.393 120.165 119.914 -0.237 0.000 2.255 128 V HA -0.266 3.855 4.120 0.001 0.000 0.247 128 V C 2.208 178.173 176.094 -0.215 0.000 1.051 128 V CA 1.848 63.965 62.300 -0.305 0.000 1.018 128 V CB -0.927 30.560 31.823 -0.559 0.000 0.641 128 V HN 0.662 nan 8.190 nan 0.000 0.445 129 F N 1.196 121.028 119.950 -0.197 0.000 2.087 129 F HA -0.251 4.277 4.527 0.001 0.000 0.299 129 F C 2.662 178.502 175.800 0.067 0.000 1.100 129 F CA 2.133 60.091 58.000 -0.070 0.000 1.226 129 F CB -1.719 37.248 39.000 -0.054 0.000 0.983 129 F HN 0.133 nan 8.300 nan 0.000 0.479 130 T N -0.243 114.434 114.554 0.204 0.000 2.684 130 T HA -0.196 4.155 4.350 0.001 0.000 0.267 130 T C 2.105 176.804 174.700 -0.002 0.000 1.036 130 T CA 1.531 63.704 62.100 0.121 0.000 1.148 130 T CB -0.269 68.610 68.868 0.018 0.000 0.863 130 T HN 0.216 nan 8.240 nan 0.000 0.436 131 R N 0.296 120.686 120.500 -0.182 0.000 2.115 131 R HA 0.122 4.462 4.340 0.001 0.000 0.230 131 R C 2.556 178.674 176.300 -0.303 0.000 1.111 131 R CA 0.993 56.808 56.100 -0.476 0.000 0.976 131 R CB -0.334 29.488 30.300 -0.796 0.000 0.870 131 R HN 0.388 nan 8.270 nan 0.000 0.445 132 M N -0.378 119.124 119.600 -0.162 0.000 2.099 132 M HA -0.189 4.292 4.480 0.001 0.000 0.262 132 M C 1.495 177.686 176.300 -0.182 0.000 1.067 132 M CA 1.829 56.993 55.300 -0.227 0.000 1.124 132 M CB -0.166 32.380 32.600 -0.090 0.000 1.353 132 M HN 0.186 nan 8.290 nan 0.000 0.410 133 W N 0.712 122.001 121.300 -0.019 0.000 2.338 133 W HA -0.218 4.443 4.660 0.001 0.000 0.304 133 W C 2.089 178.602 176.519 -0.009 0.000 1.212 133 W CA 1.051 58.420 57.345 0.040 0.000 1.264 133 W CB -0.337 29.159 29.460 0.061 0.000 1.142 133 W HN 0.228 nan 8.180 nan 0.000 0.512 134 L N -0.606 120.716 121.223 0.166 0.000 2.156 134 L HA -0.133 4.207 4.340 0.001 0.000 0.208 134 L C 2.614 179.509 176.870 0.042 0.000 1.095 134 L CA 1.112 56.013 54.840 0.101 0.000 0.770 134 L CB -1.042 41.043 42.059 0.044 0.000 0.914 134 L HN -0.026 nan 8.230 nan 0.000 0.439 135 A N 0.071 122.807 122.820 -0.140 0.000 1.877 135 A HA -0.180 4.140 4.320 0.001 0.000 0.216 135 A C 2.245 179.619 177.584 -0.350 0.000 1.186 135 A CA 1.374 53.155 52.037 -0.427 0.000 0.620 135 A CB -0.729 17.635 19.000 -1.060 0.000 0.822 135 A HN 0.323 nan 8.150 nan 0.000 0.443 136 L N -0.862 120.259 121.223 -0.170 0.000 2.043 136 L HA -0.171 4.170 4.340 0.001 0.000 0.212 136 L C 2.282 179.355 176.870 0.338 0.000 1.075 136 L CA 1.219 56.203 54.840 0.241 0.000 0.752 136 L CB -0.271 41.950 42.059 0.269 0.000 0.891 136 L HN 0.275 nan 8.230 nan 0.000 0.432 137 V N -0.381 119.699 119.914 0.277 0.000 3.623 137 V HA 0.111 4.232 4.120 0.001 0.000 0.271 137 V C 1.400 177.625 176.094 0.217 0.000 1.248 137 V CA 1.004 63.483 62.300 0.299 0.000 1.156 137 V CB -0.285 31.683 31.823 0.241 0.000 0.870 137 V HN 0.741 nan 8.190 nan 0.000 0.453 138 G N 0.473 109.370 108.800 0.161 0.000 2.147 138 G HA2 -0.220 3.741 3.960 0.001 0.000 0.244 138 G HA3 -0.220 3.741 3.960 0.001 0.000 0.244 138 G C 0.529 175.509 174.900 0.133 0.000 1.005 138 G CA 0.541 45.722 45.100 0.134 0.000 0.713 138 G HN 0.482 nan 8.290 nan 0.000 0.515 139 E N -1.628 118.665 120.200 0.156 0.000 2.415 139 E HA 0.212 4.563 4.350 0.001 0.000 0.197 139 E C 0.312 177.106 176.600 0.323 0.000 1.007 139 E CA 0.155 56.684 56.400 0.215 0.000 0.890 139 E CB 0.418 30.246 29.700 0.215 0.000 0.891 139 E HN 0.687 nan 8.360 nan 0.000 0.496 140 Y N 1.445 121.794 120.300 0.081 0.000 2.477 140 Y HA 0.338 4.888 4.550 0.001 0.000 0.347 140 Y C -2.487 173.404 175.900 -0.015 0.000 0.981 140 Y CA -2.712 55.449 58.100 0.102 0.000 1.033 140 Y CB 2.040 40.524 38.460 0.041 0.000 1.245 140 Y HN -0.196 nan 8.280 nan 0.000 0.455 141 P HA -0.040 nan 4.420 nan 0.000 0.271 141 P C 0.094 177.359 177.300 -0.058 0.000 1.226 141 P CA 0.365 63.359 63.100 -0.176 0.000 0.765 141 P CB 0.724 32.274 31.700 -0.250 0.000 0.835 142 W N 2.537 123.871 121.300 0.057 0.000 2.325 142 W HA -0.192 4.469 4.660 0.001 0.000 0.299 142 W C 2.259 178.863 176.519 0.142 0.000 1.215 142 W CA 1.149 58.569 57.345 0.124 0.000 1.244 142 W CB -0.267 29.248 29.460 0.092 0.000 1.140 142 W HN 0.438 nan 8.180 nan 0.000 0.523 143 E N 0.551 120.914 120.200 0.271 0.000 2.463 143 E HA -0.165 4.185 4.350 0.001 0.000 0.201 143 E C 1.083 177.571 176.600 -0.186 0.000 1.045 143 E CA 1.076 57.508 56.400 0.054 0.000 0.872 143 E CB -0.566 29.126 29.700 -0.013 0.000 0.797 143 E HN 0.398 nan 8.360 nan 0.000 0.538 144 K N 0.954 121.351 120.400 -0.005 0.000 2.358 144 K HA 0.195 4.515 4.320 0.001 0.000 0.197 144 K C 0.095 176.843 176.600 0.247 0.000 1.025 144 K CA -0.017 56.293 56.287 0.039 0.000 1.104 144 K CB 1.315 33.788 32.500 -0.044 0.000 0.855 144 K HN -0.047 nan 8.250 nan 0.000 0.531 145 V N 3.617 123.738 119.914 0.344 0.000 2.383 145 V HA 0.181 4.302 4.120 0.001 0.000 0.275 145 V C -2.430 173.935 176.094 0.451 0.000 1.036 145 V CA -2.328 60.193 62.300 0.367 0.000 0.889 145 V CB 0.981 33.015 31.823 0.351 0.000 0.985 145 V HN -0.023 nan 8.190 nan 0.000 0.459 146 P HA 0.031 nan 4.420 nan 0.000 0.260 146 P C 0.024 177.493 177.300 0.282 0.000 1.185 146 P CA 0.373 63.687 63.100 0.356 0.000 0.763 146 P CB 0.229 32.103 31.700 0.290 0.000 0.776 147 M N 3.304 122.968 119.600 0.107 0.000 2.243 147 M HA 0.164 4.644 4.480 0.001 0.000 0.341 147 M C -0.266 175.965 176.300 -0.116 0.000 1.130 147 M CA 0.077 55.312 55.300 -0.107 0.000 1.162 147 M CB 0.790 33.173 32.600 -0.362 0.000 1.497 147 M HN 0.031 nan 8.290 nan 0.000 0.456 148 V N 5.964 125.756 119.914 -0.204 0.000 2.462 148 V HA 0.343 4.464 4.120 0.001 0.000 0.288 148 V C -2.232 173.720 176.094 -0.236 0.000 1.020 148 V CA -1.243 60.890 62.300 -0.278 0.000 0.857 148 V CB 1.905 33.422 31.823 -0.511 0.000 1.013 148 V HN 0.677 nan 8.190 nan 0.000 0.431 149 P HA 0.331 nan 4.420 nan 0.000 0.282 149 P C -2.261 174.938 177.300 -0.169 0.000 1.249 149 P CA -1.885 61.130 63.100 -0.141 0.000 0.806 149 P CB 1.783 33.446 31.700 -0.062 0.000 0.984 150 P HA -0.129 nan 4.420 nan 0.000 0.222 150 P C 0.945 178.095 177.300 -0.250 0.000 1.147 150 P CA 1.308 64.281 63.100 -0.212 0.000 0.790 150 P CB 0.154 31.745 31.700 -0.182 0.000 0.780 151 E N -0.095 120.028 120.200 -0.129 0.000 2.333 151 E HA -0.114 4.236 4.350 0.001 0.000 0.198 151 E C 1.912 178.461 176.600 -0.085 0.000 1.007 151 E CA 0.292 56.661 56.400 -0.052 0.000 0.845 151 E CB -1.129 28.709 29.700 0.230 0.000 0.766 151 E HN 0.301 nan 8.360 nan 0.000 0.507 152 I N 0.068 120.558 120.570 -0.134 0.000 2.530 152 I HA -0.289 3.882 4.170 0.001 0.000 0.257 152 I C 1.268 177.282 176.117 -0.171 0.000 1.179 152 I CA 0.895 62.122 61.300 -0.122 0.000 1.440 152 I CB 0.098 37.989 38.000 -0.182 0.000 1.087 152 I HN 0.157 nan 8.210 nan 0.000 0.440 153 M N -0.150 119.262 119.600 -0.314 0.000 2.358 153 M HA -0.172 4.309 4.480 0.001 0.000 0.264 153 M C 1.856 178.010 176.300 -0.243 0.000 1.064 153 M CA 1.548 56.635 55.300 -0.355 0.000 1.093 153 M CB -1.213 31.103 32.600 -0.475 0.000 1.401 153 M HN 0.232 nan 8.290 nan 0.000 0.440 154 F N 0.354 120.291 119.950 -0.021 0.000 2.456 154 F HA 0.069 4.597 4.527 0.001 0.000 0.298 154 F C 1.057 176.861 175.800 0.008 0.000 1.104 154 F CA -0.179 57.820 58.000 -0.001 0.000 1.435 154 F CB -0.970 38.038 39.000 0.012 0.000 1.078 154 F HN -0.035 nan 8.300 nan 0.000 0.546 155 L N 0.702 122.027 121.223 0.169 0.000 2.562 155 L HA 0.174 4.514 4.340 0.001 0.000 0.271 155 L C 1.220 178.157 176.870 0.111 0.000 1.167 155 L CA -0.280 54.632 54.840 0.120 0.000 0.917 155 L CB -0.639 41.472 42.059 0.088 0.000 1.187 155 L HN 0.090 nan 8.230 nan 0.000 0.482 156 G N 2.713 111.572 108.800 0.098 0.000 2.651 156 G HA2 0.096 4.057 3.960 0.001 0.000 0.260 156 G HA3 0.096 4.057 3.960 0.001 0.000 0.260 156 G C 0.745 175.696 174.900 0.085 0.000 1.216 156 G CA -0.538 44.612 45.100 0.083 0.000 0.913 156 G HN 0.763 nan 8.290 nan 0.000 0.535 157 K N -0.150 120.285 120.400 0.058 0.000 2.059 157 K HA -0.175 4.146 4.320 0.001 0.000 0.212 157 K C 2.381 179.012 176.600 0.052 0.000 1.050 157 K CA 1.696 58.009 56.287 0.044 0.000 0.927 157 K CB -0.072 32.412 32.500 -0.027 0.000 0.714 157 K HN 0.530 nan 8.250 nan 0.000 0.447 158 R N 1.026 121.548 120.500 0.036 0.000 2.300 158 R HA 0.131 4.472 4.340 0.001 0.000 0.199 158 R C 0.393 176.715 176.300 0.037 0.000 0.920 158 R CA 0.164 56.283 56.100 0.032 0.000 1.046 158 R CB -0.025 30.286 30.300 0.018 0.000 0.984 158 R HN 0.141 nan 8.270 nan 0.000 0.493 159 M N 3.865 123.494 119.600 0.047 0.000 2.228 159 M HA 0.228 4.709 4.480 0.001 0.000 0.351 159 M C -1.963 174.369 176.300 0.053 0.000 1.233 159 M CA -1.632 53.696 55.300 0.047 0.000 1.129 159 M CB 1.010 33.642 32.600 0.053 0.000 1.604 159 M HN -0.121 nan 8.290 nan 0.000 0.457 160 P HA -0.022 nan 4.420 nan 0.000 0.266 160 P C 0.263 177.599 177.300 0.060 0.000 1.195 160 P CA 0.181 63.306 63.100 0.041 0.000 0.768 160 P CB 0.761 32.481 31.700 0.033 0.000 0.838 161 L N -1.804 119.452 121.223 0.055 0.000 4.937 161 L HA -0.284 4.057 4.340 0.001 0.000 0.422 161 L C 0.803 177.791 176.870 0.197 0.000 1.059 161 L CA 0.758 55.661 54.840 0.105 0.000 1.111 161 L CB -1.951 40.178 42.059 0.117 0.000 2.033 161 L HN 0.622 nan 8.230 nan 0.000 0.708 162 N N 0.939 119.731 118.700 0.152 0.000 2.453 162 N HA 0.253 4.993 4.740 0.001 0.000 0.253 162 N C 1.494 177.118 175.510 0.191 0.000 1.252 162 N CA 0.175 53.312 53.050 0.145 0.000 0.917 162 N CB 0.454 39.031 38.487 0.151 0.000 1.117 162 N HN 0.352 nan 8.380 nan 0.000 0.442 163 I N -2.251 118.310 120.570 -0.016 0.000 2.502 163 I HA -0.261 3.909 4.170 0.001 0.000 0.258 163 I C 0.389 176.380 176.117 -0.210 0.000 1.172 163 I CA 1.183 62.312 61.300 -0.285 0.000 1.430 163 I CB -0.561 37.015 38.000 -0.708 0.000 1.086 163 I HN 0.521 nan 8.210 nan 0.000 0.440 164 Y N 1.608 121.964 120.300 0.095 0.000 2.502 164 Y HA 0.132 4.682 4.550 0.001 0.000 0.295 164 Y C 2.033 178.008 175.900 0.124 0.000 1.193 164 Y CA 0.328 58.497 58.100 0.116 0.000 1.295 164 Y CB -0.295 38.223 38.460 0.095 0.000 1.059 164 Y HN 0.316 nan 8.280 nan 0.000 0.514 165 E N -0.815 119.524 120.200 0.232 0.000 2.452 165 E HA 0.061 4.411 4.350 0.001 0.000 0.197 165 E C -0.353 176.214 176.600 -0.056 0.000 1.022 165 E CA -0.040 56.399 56.400 0.065 0.000 0.890 165 E CB 0.261 29.941 29.700 -0.034 0.000 0.918 165 E HN 0.195 nan 8.360 nan 0.000 0.496 166 F N 0.818 120.692 119.950 -0.125 0.000 2.370 166 F HA 0.379 4.907 4.527 0.001 0.000 0.319 166 F C 1.379 177.015 175.800 -0.274 0.000 1.129 166 F CA -0.709 57.172 58.000 -0.198 0.000 1.109 166 F CB 0.435 39.295 39.000 -0.233 0.000 1.262 166 F HN -0.219 nan 8.300 nan 0.000 0.534 167 G N 0.283 108.904 108.800 -0.298 0.000 2.539 167 G HA2 0.272 4.233 3.960 0.001 0.000 0.258 167 G HA3 0.272 4.233 3.960 0.001 0.000 0.258 167 G C 0.716 175.194 174.900 -0.704 0.000 1.202 167 G CA -0.376 44.289 45.100 -0.726 0.000 0.851 167 G HN 0.663 nan 8.290 nan 0.000 0.556 168 S N 0.687 116.115 115.700 -0.453 0.000 2.393 168 S HA -0.272 4.199 4.470 0.001 0.000 0.235 168 S C 1.941 176.383 174.600 -0.262 0.000 1.061 168 S CA 2.678 60.727 58.200 -0.252 0.000 1.129 168 S CB -0.604 62.373 63.200 -0.373 0.000 1.011 168 S HN 0.880 nan 8.310 nan 0.000 0.436 169 W N 2.140 123.438 121.300 -0.002 0.000 2.338 169 W HA 0.016 4.676 4.660 0.001 0.000 0.304 169 W C 2.310 178.901 176.519 0.120 0.000 1.212 169 W CA 0.931 58.314 57.345 0.063 0.000 1.264 169 W CB -1.069 28.529 29.460 0.231 0.000 1.142 169 W HN 0.227 nan 8.180 nan 0.000 0.512 170 A N 1.112 123.852 122.820 -0.133 0.000 1.897 170 A HA -0.087 4.234 4.320 0.001 0.000 0.215 170 A C 2.173 179.689 177.584 -0.114 0.000 1.181 170 A CA 1.809 53.881 52.037 0.058 0.000 0.620 170 A CB -0.958 18.084 19.000 0.070 0.000 0.821 170 A HN 0.343 nan 8.150 nan 0.000 0.443 171 R N -0.255 120.097 120.500 -0.245 0.000 2.136 171 R HA -0.242 4.098 4.340 0.001 0.000 0.242 171 R C 2.290 178.326 176.300 -0.440 0.000 1.131 171 R CA 2.189 58.031 56.100 -0.429 0.000 0.937 171 R CB -0.514 29.603 30.300 -0.305 0.000 0.863 171 R HN 0.470 nan 8.270 nan 0.000 0.435 172 A N -0.929 121.806 122.820 -0.143 0.000 1.930 172 A HA -0.123 4.197 4.320 0.001 0.000 0.217 172 A C 2.181 179.754 177.584 -0.019 0.000 1.175 172 A CA 1.974 54.026 52.037 0.025 0.000 0.627 172 A CB -0.768 18.396 19.000 0.274 0.000 0.815 172 A HN 0.504 nan 8.150 nan 0.000 0.443 173 T N -0.172 114.412 114.554 0.050 0.000 2.746 173 T HA -0.123 4.228 4.350 0.001 0.000 0.267 173 T C 1.899 176.575 174.700 -0.039 0.000 1.039 173 T CA 1.600 63.797 62.100 0.162 0.000 1.142 173 T CB -0.478 68.593 68.868 0.339 0.000 0.866 173 T HN 0.173 nan 8.240 nan 0.000 0.444 174 V N 1.431 121.214 119.914 -0.218 0.000 2.255 174 V HA -0.177 3.944 4.120 0.001 0.000 0.247 174 V C 2.710 178.550 176.094 -0.423 0.000 1.051 174 V CA 1.509 63.551 62.300 -0.430 0.000 1.018 174 V CB -0.935 30.468 31.823 -0.699 0.000 0.641 174 V HN 0.315 nan 8.190 nan 0.000 0.445 175 V N 0.525 120.161 119.914 -0.464 0.000 2.252 175 V HA -0.311 3.810 4.120 0.001 0.000 0.249 175 V C 2.751 178.694 176.094 -0.252 0.000 1.056 175 V CA 2.280 64.327 62.300 -0.422 0.000 1.022 175 V CB -1.409 30.092 31.823 -0.537 0.000 0.641 175 V HN 0.566 nan 8.190 nan 0.000 0.445 176 A N -0.397 122.319 122.820 -0.173 0.000 1.883 176 A HA -0.169 4.152 4.320 0.001 0.000 0.217 176 A C 2.252 179.759 177.584 -0.127 0.000 1.186 176 A CA 1.953 53.921 52.037 -0.116 0.000 0.624 176 A CB -0.596 18.376 19.000 -0.046 0.000 0.822 176 A HN 0.503 nan 8.150 nan 0.000 0.444 177 L N 0.433 121.549 121.223 -0.178 0.000 2.141 177 L HA -0.172 4.169 4.340 0.001 0.000 0.209 177 L C 3.023 179.744 176.870 -0.249 0.000 1.094 177 L CA 1.462 56.157 54.840 -0.242 0.000 0.763 177 L CB -0.440 41.422 42.059 -0.328 0.000 0.908 177 L HN 0.658 nan 8.230 nan 0.000 0.437 178 S N 0.100 115.632 115.700 -0.280 0.000 2.400 178 S HA -0.186 4.284 4.470 0.001 0.000 0.232 178 S C 1.849 176.315 174.600 -0.223 0.000 1.025 178 S CA 1.052 59.090 58.200 -0.270 0.000 0.993 178 S CB -0.580 62.446 63.200 -0.290 0.000 0.808 178 S HN 0.410 nan 8.310 nan 0.000 0.478 179 I N 1.219 121.675 120.570 -0.191 0.000 2.286 179 I HA -0.087 4.084 4.170 0.001 0.000 0.245 179 I C 2.404 178.424 176.117 -0.161 0.000 1.104 179 I CA 0.908 62.114 61.300 -0.157 0.000 1.397 179 I CB -0.440 37.491 38.000 -0.116 0.000 1.072 179 I HN 0.229 nan 8.210 nan 0.000 0.417 180 V N 0.261 120.085 119.914 -0.150 0.000 2.358 180 V HA -0.284 3.837 4.120 0.001 0.000 0.246 180 V C 2.430 178.352 176.094 -0.285 0.000 1.047 180 V CA 1.782 63.997 62.300 -0.142 0.000 1.035 180 V CB -0.512 31.275 31.823 -0.060 0.000 0.658 180 V HN 0.360 nan 8.190 nan 0.000 0.452 181 M N 0.061 119.491 119.600 -0.285 0.000 2.175 181 M HA -0.144 4.337 4.480 0.001 0.000 0.264 181 M C 2.437 178.492 176.300 -0.408 0.000 1.063 181 M CA 1.723 56.794 55.300 -0.381 0.000 1.119 181 M CB -0.341 32.119 32.600 -0.234 0.000 1.377 181 M HN 0.379 nan 8.290 nan 0.000 0.415 182 S N -0.256 115.256 115.700 -0.313 0.000 2.399 182 S HA -0.112 4.359 4.470 0.001 0.000 0.231 182 S C 1.842 176.249 174.600 -0.322 0.000 1.022 182 S CA 1.129 59.152 58.200 -0.296 0.000 0.983 182 S CB -0.114 62.948 63.200 -0.231 0.000 0.803 182 S HN 0.390 nan 8.310 nan 0.000 0.480 183 R N 0.401 120.704 120.500 -0.328 0.000 2.308 183 R HA 0.270 4.610 4.340 0.001 0.000 0.202 183 R C 0.171 176.217 176.300 -0.423 0.000 0.898 183 R CA 0.046 55.963 56.100 -0.305 0.000 1.046 183 R CB -0.698 29.477 30.300 -0.209 0.000 1.026 183 R HN 0.561 nan 8.270 nan 0.000 0.512 184 Q N 1.794 121.170 119.800 -0.706 0.000 2.413 184 Q HA -0.153 4.188 4.340 0.001 0.000 0.364 184 Q C -2.062 173.526 176.000 -0.686 0.000 1.359 184 Q CA 0.143 55.198 55.803 -1.247 0.000 1.097 184 Q CB -1.003 27.033 28.738 -1.170 0.000 1.286 184 Q HN 0.285 nan 8.270 nan 0.000 0.358 185 P HA 0.331 nan 4.420 nan 0.000 0.279 185 P C -0.476 176.775 177.300 -0.082 0.000 1.252 185 P CA -0.356 62.598 63.100 -0.243 0.000 0.811 185 P CB 1.437 32.987 31.700 -0.249 0.000 1.035 186 V N 2.310 122.025 119.914 -0.333 0.000 2.577 186 V HA 0.321 4.441 4.120 0.001 0.000 0.303 186 V C -0.729 175.093 176.094 -0.454 0.000 1.042 186 V CA -0.305 61.892 62.300 -0.172 0.000 0.872 186 V CB 1.346 33.196 31.823 0.045 0.000 0.998 186 V HN 0.336 nan 8.190 nan 0.000 0.423 187 F N 5.470 125.528 119.950 0.181 0.000 2.359 187 F HA 0.485 5.013 4.527 0.001 0.000 0.370 187 F C -2.231 173.731 175.800 0.270 0.000 1.077 187 F CA -2.685 55.413 58.000 0.163 0.000 1.136 187 F CB 1.108 40.160 39.000 0.086 0.000 1.387 187 F HN 0.293 nan 8.300 nan 0.000 0.468 188 P HA 0.002 nan 4.420 nan 0.000 0.265 188 P C -0.175 177.322 177.300 0.329 0.000 1.187 188 P CA 0.294 63.549 63.100 0.259 0.000 0.766 188 P CB 0.731 32.537 31.700 0.178 0.000 0.820 189 L N 4.969 126.311 121.223 0.199 0.000 2.399 189 L HA 0.428 4.768 4.340 0.001 0.000 0.265 189 L C -1.661 175.292 176.870 0.138 0.000 1.089 189 L CA -2.156 52.745 54.840 0.102 0.000 0.802 189 L CB 0.551 42.646 42.059 0.060 0.000 1.180 189 L HN 0.280 nan 8.230 nan 0.000 0.454 190 P HA 0.050 nan 4.420 nan 0.000 0.271 190 P C -0.066 177.279 177.300 0.076 0.000 1.218 190 P CA -0.199 62.962 63.100 0.101 0.000 0.780 190 P CB 0.729 32.469 31.700 0.068 0.000 0.901 191 E N 1.318 121.557 120.200 0.065 0.000 2.208 191 E HA -0.263 4.087 4.350 0.001 0.000 0.202 191 E C 2.015 178.645 176.600 0.050 0.000 1.014 191 E CA 1.188 57.622 56.400 0.058 0.000 0.819 191 E CB -0.134 29.595 29.700 0.048 0.000 0.735 191 E HN 0.460 nan 8.360 nan 0.000 0.469 192 R N 0.414 120.934 120.500 0.033 0.000 2.096 192 R HA -0.076 4.265 4.340 0.001 0.000 0.235 192 R C 1.733 178.048 176.300 0.024 0.000 1.127 192 R CA 1.278 57.389 56.100 0.018 0.000 0.968 192 R CB -0.027 30.268 30.300 -0.009 0.000 0.861 192 R HN 0.128 nan 8.270 nan 0.000 0.440 193 A N 1.106 123.948 122.820 0.037 0.000 2.345 193 A HA 0.165 4.486 4.320 0.001 0.000 0.225 193 A C -0.042 177.599 177.584 0.095 0.000 1.243 193 A CA -0.368 51.705 52.037 0.061 0.000 0.875 193 A CB 0.026 19.090 19.000 0.106 0.000 0.929 193 A HN 0.067 nan 8.150 nan 0.000 0.502 194 R N -0.028 120.530 120.500 0.097 0.000 2.679 194 R HA 0.181 4.521 4.340 0.001 0.000 0.268 194 R C 0.188 176.576 176.300 0.147 0.000 1.044 194 R CA 0.327 56.498 56.100 0.119 0.000 1.105 194 R CB 0.333 30.697 30.300 0.105 0.000 0.989 194 R HN 0.337 nan 8.270 nan 0.000 0.447 195 V N -0.064 119.959 119.914 0.182 0.000 2.699 195 V HA 0.202 4.323 4.120 0.001 0.000 0.311 195 V C -1.623 174.618 176.094 0.244 0.000 1.160 195 V CA -1.171 61.266 62.300 0.228 0.000 1.313 195 V CB 0.970 32.952 31.823 0.266 0.000 1.553 195 V HN 0.551 nan 8.190 nan 0.000 0.630 196 P HA -0.172 nan 4.420 nan 0.000 0.222 196 P C 1.393 178.861 177.300 0.280 0.000 1.147 196 P CA 1.546 64.810 63.100 0.274 0.000 0.790 196 P CB 0.324 32.114 31.700 0.150 0.000 0.780 197 E N 0.814 121.126 120.200 0.187 0.000 2.396 197 E HA -0.142 4.209 4.350 0.001 0.000 0.200 197 E C 1.817 178.452 176.600 0.059 0.000 1.023 197 E CA 0.770 57.244 56.400 0.122 0.000 0.857 197 E CB -1.090 28.676 29.700 0.110 0.000 0.775 197 E HN 0.357 nan 8.360 nan 0.000 0.525 198 L N -0.647 120.602 121.223 0.042 0.000 2.395 198 L HA -0.016 4.325 4.340 0.001 0.000 0.218 198 L C 1.756 178.530 176.870 -0.161 0.000 1.130 198 L CA 0.662 55.430 54.840 -0.120 0.000 0.826 198 L CB -0.380 41.563 42.059 -0.193 0.000 0.941 198 L HN 0.012 nan 8.230 nan 0.000 0.451 199 Y N -0.053 120.263 120.300 0.027 0.000 2.397 199 Y HA 0.022 4.573 4.550 0.001 0.000 0.292 199 Y C 1.151 177.059 175.900 0.014 0.000 1.115 199 Y CA -0.164 57.955 58.100 0.032 0.000 1.208 199 Y CB 0.052 38.538 38.460 0.044 0.000 1.046 199 Y HN 0.079 nan 8.280 nan 0.000 0.552 200 E N 1.649 121.947 120.200 0.163 0.000 1.909 200 E HA 0.055 4.406 4.350 0.001 0.000 0.253 200 E C -0.661 175.965 176.600 0.043 0.000 1.268 200 E CA 0.410 56.864 56.400 0.090 0.000 0.999 200 E CB -0.263 29.481 29.700 0.073 0.000 1.072 200 E HN 0.079 nan 8.360 nan 0.000 0.428 201 T N 1.340 115.919 114.554 0.041 0.000 3.097 201 T HA 0.039 4.390 4.350 0.001 0.000 0.332 201 T C 0.202 174.914 174.700 0.020 0.000 1.269 201 T CA -0.917 61.191 62.100 0.013 0.000 1.076 201 T CB 1.227 70.087 68.868 -0.014 0.000 1.209 201 T HN 0.422 nan 8.240 nan 0.000 0.474 202 D N 0.953 121.360 120.400 0.011 0.000 2.301 202 D HA 0.005 4.646 4.640 0.001 0.000 0.206 202 D C 0.854 177.159 176.300 0.008 0.000 0.979 202 D CA 0.301 54.309 54.000 0.013 0.000 0.874 202 D CB -0.009 40.798 40.800 0.012 0.000 0.968 202 D HN 0.296 nan 8.370 nan 0.000 0.510 203 V N 3.965 123.878 119.914 -0.002 0.000 2.673 203 V HA 0.078 4.198 4.120 0.001 0.000 0.303 203 V C -1.810 174.283 176.094 -0.002 0.000 1.046 203 V CA -0.870 61.426 62.300 -0.007 0.000 1.126 203 V CB 0.461 32.269 31.823 -0.025 0.000 0.934 203 V HN 0.166 nan 8.190 nan 0.000 0.487 204 P HA 0.199 nan 4.420 nan 0.000 0.271 204 P C -2.546 174.758 177.300 0.006 0.000 1.220 204 P CA -1.418 61.688 63.100 0.010 0.000 0.768 204 P CB 0.292 32.000 31.700 0.013 0.000 0.848 205 P HA 0.071 nan 4.420 nan 0.000 0.271 205 P C -0.006 177.302 177.300 0.013 0.000 1.233 205 P CA 0.047 63.152 63.100 0.008 0.000 0.764 205 P CB 0.441 32.155 31.700 0.024 0.000 0.825 206 R N 3.620 124.124 120.500 0.006 0.000 2.593 206 R HA 0.369 4.710 4.340 0.001 0.000 0.282 206 R C 0.047 176.360 176.300 0.022 0.000 1.300 206 R CA -0.710 55.400 56.100 0.017 0.000 1.221 206 R CB 0.389 30.698 30.300 0.016 0.000 1.157 206 R HN 0.358 nan 8.270 nan 0.000 0.555 207 R N 2.428 122.946 120.500 0.029 0.000 2.442 207 R HA 0.081 4.422 4.340 0.001 0.000 0.291 207 R C -0.309 176.013 176.300 0.036 0.000 1.069 207 R CA -0.188 55.932 56.100 0.032 0.000 1.022 207 R CB 0.774 31.099 30.300 0.041 0.000 0.976 207 R HN 0.499 nan 8.270 nan 0.000 0.443 208 R N 2.373 122.893 120.500 0.033 0.000 2.312 208 R HA 0.300 4.641 4.340 0.001 0.000 0.311 208 R C -0.333 175.984 176.300 0.029 0.000 1.004 208 R CA -0.284 55.839 56.100 0.037 0.000 0.902 208 R CB 1.411 31.738 30.300 0.045 0.000 1.073 208 R HN 0.809 nan 8.270 nan 0.000 0.457 209 G N 1.634 110.454 108.800 0.033 0.000 2.557 209 G HA2 0.504 4.465 3.960 0.001 0.000 0.302 209 G HA3 0.504 4.465 3.960 0.001 0.000 0.302 209 G C -0.739 174.168 174.900 0.011 0.000 1.311 209 G CA -0.561 44.557 45.100 0.029 0.000 1.030 209 G HN 0.798 nan 8.290 nan 0.000 0.509 210 A N -0.308 122.515 122.820 0.004 0.000 2.507 210 A HA 0.275 4.595 4.320 0.001 0.000 0.235 210 A C 1.631 179.206 177.584 -0.014 0.000 1.070 210 A CA -0.032 51.991 52.037 -0.024 0.000 0.768 210 A CB 0.283 19.257 19.000 -0.043 0.000 1.011 210 A HN 0.555 nan 8.150 nan 0.000 0.502 211 K N 1.340 121.711 120.400 -0.047 0.000 2.362 211 K HA -0.153 4.168 4.320 0.001 0.000 0.202 211 K C 1.203 177.788 176.600 -0.024 0.000 1.045 211 K CA 1.557 57.816 56.287 -0.048 0.000 0.936 211 K CB -0.239 32.207 32.500 -0.090 0.000 0.747 211 K HN 0.820 nan 8.250 nan 0.000 0.467 212 G N -0.121 108.681 108.800 0.003 0.000 4.250 212 G HA2 0.411 4.372 3.960 0.001 0.000 0.295 212 G HA3 0.411 4.372 3.960 0.001 0.000 0.295 212 G C -0.097 174.929 174.900 0.210 0.000 1.081 212 G CA 0.112 45.263 45.100 0.086 0.000 0.854 212 G HN 0.329 nan 8.290 nan 0.000 0.524 213 G N -0.880 107.992 108.800 0.122 0.000 2.862 213 G HA2 0.404 4.365 3.960 0.001 0.000 0.686 213 G HA3 0.404 4.365 3.960 0.001 0.000 0.686 213 G C 0.306 175.262 174.900 0.094 0.000 1.134 213 G CA -0.335 44.822 45.100 0.094 0.000 0.791 213 G HN 1.121 nan 8.290 nan 0.000 0.592 214 G N 0.599 109.445 108.800 0.077 0.000 2.353 214 G HA2 0.773 4.733 3.960 0.001 0.000 0.284 214 G HA3 0.773 4.733 3.960 0.001 0.000 0.284 214 G C 0.627 175.607 174.900 0.134 0.000 1.172 214 G CA 0.525 45.681 45.100 0.093 0.000 0.854 214 G HN 1.570 nan 8.290 nan 0.000 0.485 215 G N 1.332 110.269 108.800 0.228 0.000 2.377 215 G HA2 0.407 4.367 3.960 0.001 0.000 0.299 215 G HA3 0.407 4.367 3.960 0.001 0.000 0.299 215 G C 0.912 175.901 174.900 0.149 0.000 1.150 215 G CA -0.679 44.533 45.100 0.186 0.000 0.847 215 G HN 0.817 nan 8.290 nan 0.000 0.501 216 W N 2.514 123.866 121.300 0.086 0.000 2.525 216 W HA -0.030 4.630 4.660 0.001 0.000 0.259 216 W C 1.089 177.612 176.519 0.006 0.000 1.253 216 W CA 0.142 57.520 57.345 0.053 0.000 1.262 216 W CB -0.601 28.870 29.460 0.018 0.000 1.122 216 W HN 0.450 nan 8.180 nan 0.000 0.607 217 I N 0.626 120.542 120.570 -1.091 0.000 2.142 217 I HA -0.269 3.902 4.170 0.001 0.000 0.240 217 I C 2.454 178.242 176.117 -0.548 0.000 1.078 217 I CA 1.769 62.371 61.300 -1.164 0.000 1.343 217 I CB -1.176 35.953 38.000 -1.451 0.000 1.046 217 I HN -0.240 nan 8.210 nan 0.000 0.405 218 F N 1.232 121.055 119.950 -0.212 0.000 2.171 218 F HA -0.220 4.307 4.527 0.001 0.000 0.300 218 F C 2.300 178.101 175.800 0.003 0.000 1.090 218 F CA 1.618 59.574 58.000 -0.073 0.000 1.293 218 F CB -0.892 38.089 39.000 -0.033 0.000 1.013 218 F HN 0.133 nan 8.300 nan 0.000 0.486 219 D N 0.459 120.994 120.400 0.225 0.000 2.123 219 D HA -0.178 4.463 4.640 0.001 0.000 0.196 219 D C 2.180 178.583 176.300 0.172 0.000 0.992 219 D CA 1.468 55.590 54.000 0.203 0.000 0.833 219 D CB -0.240 40.690 40.800 0.218 0.000 0.954 219 D HN 0.170 nan 8.370 nan 0.000 0.455 220 A N 0.026 122.933 122.820 0.144 0.000 1.872 220 A HA -0.034 4.286 4.320 0.001 0.000 0.214 220 A C 2.167 179.809 177.584 0.096 0.000 1.187 220 A CA 1.271 53.392 52.037 0.139 0.000 0.614 220 A CB -0.993 18.110 19.000 0.172 0.000 0.826 220 A HN 0.355 nan 8.150 nan 0.000 0.442 221 L N 0.707 121.956 121.223 0.043 0.000 2.013 221 L HA -0.243 4.098 4.340 0.001 0.000 0.212 221 L C 1.891 178.814 176.870 0.089 0.000 1.073 221 L CA 2.928 57.789 54.840 0.036 0.000 0.753 221 L CB -0.929 41.135 42.059 0.007 0.000 0.890 221 L HN 0.545 nan 8.230 nan 0.000 0.432 222 D N -1.005 119.479 120.400 0.140 0.000 2.092 222 D HA -0.232 4.409 4.640 0.001 0.000 0.193 222 D C 2.254 178.704 176.300 0.251 0.000 0.994 222 D CA 1.720 55.831 54.000 0.185 0.000 0.828 222 D CB -0.018 40.922 40.800 0.234 0.000 0.963 222 D HN 0.359 nan 8.370 nan 0.000 0.450 223 R N 0.132 120.769 120.500 0.228 0.000 2.120 223 R HA -0.045 4.296 4.340 0.001 0.000 0.234 223 R C 2.348 178.762 176.300 0.190 0.000 1.123 223 R CA 1.080 57.312 56.100 0.220 0.000 0.975 223 R CB -0.324 30.065 30.300 0.148 0.000 0.866 223 R HN 0.171 nan 8.270 nan 0.000 0.446 224 A N 1.565 124.469 122.820 0.140 0.000 1.873 224 A HA -0.099 4.221 4.320 0.001 0.000 0.215 224 A C 2.207 179.874 177.584 0.138 0.000 1.186 224 A CA 1.031 53.135 52.037 0.111 0.000 0.616 224 A CB -0.530 18.505 19.000 0.059 0.000 0.823 224 A HN 0.165 nan 8.150 nan 0.000 0.442 225 L N -1.470 119.818 121.223 0.109 0.000 2.079 225 L HA -0.252 4.089 4.340 0.001 0.000 0.210 225 L C 2.535 179.452 176.870 0.078 0.000 1.081 225 L CA 1.800 56.690 54.840 0.083 0.000 0.752 225 L CB -0.677 41.371 42.059 -0.018 0.000 0.896 225 L HN 0.513 nan 8.230 nan 0.000 0.433 226 H N -1.117 118.025 119.070 0.119 0.000 2.428 226 H HA -0.059 4.498 4.556 0.001 0.000 0.296 226 H C 2.205 177.593 175.328 0.100 0.000 1.062 226 H CA 1.071 57.179 56.048 0.100 0.000 1.350 226 H CB -0.089 29.730 29.762 0.095 0.000 1.403 226 H HN 0.314 nan 8.280 nan 0.000 0.533 227 G N -0.350 108.589 108.800 0.231 0.000 2.394 227 G HA2 -0.317 3.644 3.960 0.001 0.000 0.214 227 G HA3 -0.317 3.644 3.960 0.001 0.000 0.214 227 G C 1.471 176.483 174.900 0.187 0.000 1.176 227 G CA 0.618 45.822 45.100 0.173 0.000 0.786 227 G HN 0.430 nan 8.290 nan 0.000 0.533 228 Y N 1.060 121.407 120.300 0.079 0.000 2.256 228 Y HA -0.118 4.432 4.550 0.001 0.000 0.288 228 Y C 2.827 178.839 175.900 0.185 0.000 1.155 228 Y CA 1.784 59.944 58.100 0.099 0.000 1.203 228 Y CB -0.047 38.461 38.460 0.081 0.000 0.980 228 Y HN 0.149 nan 8.280 nan 0.000 0.530 229 Q N 0.544 120.406 119.800 0.104 0.000 2.291 229 Q HA -0.148 4.193 4.340 0.001 0.000 0.206 229 Q C 1.458 177.497 176.000 0.065 0.000 0.976 229 Q CA 1.430 57.230 55.803 -0.006 0.000 0.875 229 Q CB -0.073 28.651 28.738 -0.025 0.000 0.927 229 Q HN 0.577 nan 8.270 nan 0.000 0.450 230 K N -0.353 120.088 120.400 0.067 0.000 2.374 230 K HA 0.197 4.517 4.320 0.001 0.000 0.196 230 K C 0.474 177.059 176.600 -0.025 0.000 1.023 230 K CA -0.151 56.155 56.287 0.032 0.000 1.103 230 K CB 0.523 33.046 32.500 0.039 0.000 0.848 230 K HN 0.113 nan 8.250 nan 0.000 0.528 231 L N 0.723 121.888 121.223 -0.096 0.000 2.452 231 L HA 0.011 4.351 4.340 0.001 0.000 0.267 231 L C 1.803 178.461 176.870 -0.354 0.000 1.188 231 L CA -0.040 54.654 54.840 -0.243 0.000 0.821 231 L CB 1.047 42.888 42.059 -0.362 0.000 1.102 231 L HN 0.065 nan 8.230 nan 0.000 0.470 232 S N 1.315 116.855 115.700 -0.266 0.000 2.428 232 S HA -0.014 4.456 4.470 0.001 0.000 0.230 232 S C 0.272 174.691 174.600 -0.301 0.000 1.014 232 S CA 0.420 58.492 58.200 -0.213 0.000 0.957 232 S CB 0.068 63.192 63.200 -0.128 0.000 0.784 232 S HN 0.448 nan 8.310 nan 0.000 0.499 233 V N 0.206 119.854 119.914 -0.444 0.000 2.709 233 V HA 0.705 4.826 4.120 0.001 0.000 0.308 233 V C -1.678 174.042 176.094 -0.624 0.000 1.062 233 V CA -0.980 61.084 62.300 -0.394 0.000 0.901 233 V CB 1.425 33.136 31.823 -0.186 0.000 1.003 233 V HN 0.322 nan 8.190 nan 0.000 0.425 234 H N 4.509 123.496 119.070 -0.139 0.000 2.953 234 H HA 0.567 5.124 4.556 0.001 0.000 0.290 234 H C -2.712 172.617 175.328 0.001 0.000 1.113 234 H CA -1.502 54.474 56.048 -0.120 0.000 1.454 234 H CB 1.473 31.083 29.762 -0.254 0.000 1.525 234 H HN 0.672 nan 8.280 nan 0.000 0.505 235 P HA -0.071 nan 4.420 nan 0.000 0.264 235 P C -0.123 177.165 177.300 -0.021 0.000 1.193 235 P CA 0.091 63.106 63.100 -0.142 0.000 0.763 235 P CB 0.537 31.977 31.700 -0.435 0.000 0.810 236 F N -0.354 119.671 119.950 0.125 0.000 2.914 236 F HA -0.224 4.304 4.527 0.001 0.000 0.304 236 F C 1.763 177.716 175.800 0.255 0.000 0.712 236 F CA 0.861 58.963 58.000 0.171 0.000 1.211 236 F CB -2.238 36.823 39.000 0.102 0.000 1.515 236 F HN 0.358 nan 8.300 nan 0.000 0.350 237 R N 1.146 121.853 120.500 0.346 0.000 2.061 237 R HA -0.001 4.340 4.340 0.001 0.000 0.230 237 R C 2.230 178.608 176.300 0.131 0.000 1.140 237 R CA 2.210 58.438 56.100 0.212 0.000 0.940 237 R CB -0.464 29.903 30.300 0.112 0.000 0.839 237 R HN 0.366 nan 8.270 nan 0.000 0.429 238 R N -0.451 120.118 120.500 0.116 0.000 2.139 238 R HA -0.117 4.224 4.340 0.001 0.000 0.243 238 R C 2.019 178.363 176.300 0.072 0.000 1.145 238 R CA 1.463 57.604 56.100 0.067 0.000 0.976 238 R CB -0.322 30.017 30.300 0.065 0.000 0.866 238 R HN 0.396 nan 8.270 nan 0.000 0.449 239 A N 0.169 123.073 122.820 0.140 0.000 1.929 239 A HA -0.026 4.294 4.320 0.001 0.000 0.216 239 A C 2.214 179.836 177.584 0.063 0.000 1.176 239 A CA 1.392 53.508 52.037 0.132 0.000 0.628 239 A CB -0.381 18.735 19.000 0.195 0.000 0.816 239 A HN 0.426 nan 8.150 nan 0.000 0.444 240 A N -0.087 122.748 122.820 0.024 0.000 1.929 240 A HA -0.100 4.220 4.320 0.001 0.000 0.216 240 A C 1.883 179.332 177.584 -0.225 0.000 1.176 240 A CA 1.425 53.257 52.037 -0.342 0.000 0.628 240 A CB -0.444 18.323 19.000 -0.387 0.000 0.816 240 A HN 0.606 nan 8.150 nan 0.000 0.444 241 E N -0.098 120.036 120.200 -0.111 0.000 2.058 241 E HA -0.187 4.164 4.350 0.001 0.000 0.194 241 E C 1.868 178.425 176.600 -0.071 0.000 0.997 241 E CA 1.403 57.746 56.400 -0.096 0.000 0.801 241 E CB -0.344 29.316 29.700 -0.066 0.000 0.746 241 E HN 0.690 nan 8.360 nan 0.000 0.450 242 I N 0.918 121.463 120.570 -0.041 0.000 2.264 242 I HA -0.277 3.894 4.170 0.001 0.000 0.248 242 I C 2.481 178.591 176.117 -0.013 0.000 1.111 242 I CA 0.848 62.139 61.300 -0.016 0.000 1.382 242 I CB -0.260 37.743 38.000 0.004 0.000 1.060 242 I HN 0.058 nan 8.210 nan 0.000 0.418 243 R N 0.930 121.401 120.500 -0.048 0.000 2.091 243 R HA -0.135 4.205 4.340 0.001 0.000 0.238 243 R C 2.355 178.662 176.300 0.012 0.000 1.136 243 R CA 1.651 57.730 56.100 -0.035 0.000 0.959 243 R CB -0.921 29.293 30.300 -0.143 0.000 0.856 243 R HN 0.397 nan 8.270 nan 0.000 0.437 244 A N 1.409 124.195 122.820 -0.056 0.000 1.877 244 A HA -0.147 4.173 4.320 0.001 0.000 0.216 244 A C 2.230 179.853 177.584 0.065 0.000 1.186 244 A CA 1.175 53.191 52.037 -0.036 0.000 0.620 244 A CB -0.619 18.302 19.000 -0.131 0.000 0.822 244 A HN 0.229 nan 8.150 nan 0.000 0.443 245 L N 0.323 121.560 121.223 0.024 0.000 1.989 245 L HA -0.213 4.128 4.340 0.001 0.000 0.211 245 L C 1.684 178.606 176.870 0.088 0.000 1.071 245 L CA 2.773 57.635 54.840 0.037 0.000 0.749 245 L CB -0.822 41.240 42.059 0.005 0.000 0.890 245 L HN 0.363 nan 8.230 nan 0.000 0.431 246 D N -1.288 119.162 120.400 0.083 0.000 2.117 246 D HA -0.260 4.381 4.640 0.001 0.000 0.197 246 D C 1.794 178.155 176.300 0.102 0.000 0.987 246 D CA 1.573 55.621 54.000 0.080 0.000 0.829 246 D CB -0.571 40.265 40.800 0.060 0.000 0.961 246 D HN 0.595 nan 8.370 nan 0.000 0.460 247 W N 1.487 122.785 121.300 -0.003 0.000 2.321 247 W HA -0.179 4.482 4.660 0.001 0.000 0.306 247 W C 2.096 178.657 176.519 0.071 0.000 1.217 247 W CA 1.328 58.677 57.345 0.007 0.000 1.257 247 W CB -0.370 29.072 29.460 -0.030 0.000 1.145 247 W HN -0.056 nan 8.180 nan 0.000 0.509 248 L N -0.280 121.135 121.223 0.321 0.000 1.988 248 L HA -0.264 4.077 4.340 0.001 0.000 0.207 248 L C 2.548 179.667 176.870 0.415 0.000 1.071 248 L CA 1.453 56.507 54.840 0.357 0.000 0.744 248 L CB -1.238 40.929 42.059 0.180 0.000 0.893 248 L HN -0.006 nan 8.230 nan 0.000 0.433 249 L N -0.399 120.977 121.223 0.256 0.000 2.129 249 L HA -0.242 4.099 4.340 0.001 0.000 0.212 249 L C 2.478 179.397 176.870 0.082 0.000 1.087 249 L CA 1.376 56.337 54.840 0.201 0.000 0.757 249 L CB -0.618 41.513 42.059 0.120 0.000 0.896 249 L HN 0.362 nan 8.230 nan 0.000 0.434 250 E N -0.132 120.047 120.200 -0.035 0.000 2.152 250 E HA -0.152 4.199 4.350 0.001 0.000 0.192 250 E C 1.976 178.428 176.600 -0.246 0.000 0.983 250 E CA 0.688 56.989 56.400 -0.164 0.000 0.818 250 E CB 0.045 29.572 29.700 -0.288 0.000 0.758 250 E HN 0.372 nan 8.360 nan 0.000 0.467 251 R N 0.805 121.159 120.500 -0.244 0.000 2.334 251 R HA 0.086 4.427 4.340 0.001 0.000 0.216 251 R C 0.385 176.702 176.300 0.029 0.000 0.905 251 R CA -0.154 55.844 56.100 -0.170 0.000 1.064 251 R CB 0.312 30.386 30.300 -0.376 0.000 1.046 251 R HN 0.081 nan 8.270 nan 0.000 0.508 252 Q N 0.989 120.683 119.800 -0.176 0.000 2.286 252 Q HA 0.110 4.451 4.340 0.001 0.000 0.290 252 Q C -0.554 175.179 176.000 -0.444 0.000 1.049 252 Q CA -0.203 55.140 55.803 -0.766 0.000 0.923 252 Q CB 0.822 29.078 28.738 -0.804 0.000 1.183 252 Q HN 0.234 nan 8.270 nan 0.000 0.383 253 A N 3.356 125.853 122.820 -0.539 0.000 2.346 253 A HA 0.352 4.672 4.320 0.001 0.000 0.252 253 A C 1.174 178.569 177.584 -0.314 0.000 1.089 253 A CA 0.170 52.004 52.037 -0.337 0.000 0.797 253 A CB 0.209 19.038 19.000 -0.284 0.000 1.047 253 A HN 1.043 nan 8.150 nan 0.000 0.494 254 G N 0.201 108.862 108.800 -0.231 0.000 2.442 254 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 254 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 254 G C 0.730 175.539 174.900 -0.153 0.000 1.141 254 G CA 1.433 46.426 45.100 -0.177 0.000 0.763 254 G HN 0.898 nan 8.290 nan 0.000 0.554 255 D N -0.807 119.503 120.400 -0.149 0.000 2.371 255 D HA 0.233 4.874 4.640 0.001 0.000 0.221 255 D C 1.765 177.977 176.300 -0.147 0.000 0.986 255 D CA 0.985 54.933 54.000 -0.087 0.000 0.899 255 D CB -0.471 40.345 40.800 0.026 0.000 0.902 255 D HN 0.574 nan 8.370 nan 0.000 0.530 256 G N -0.478 108.137 108.800 -0.308 0.000 2.176 256 G HA2 -0.273 3.688 3.960 0.001 0.000 0.232 256 G HA3 -0.273 3.688 3.960 0.001 0.000 0.232 256 G C 0.544 174.990 174.900 -0.757 0.000 0.986 256 G CA 0.434 45.320 45.100 -0.358 0.000 0.643 256 G HN 0.804 nan 8.290 nan 0.000 0.522 257 S N -0.988 114.024 115.700 -1.148 0.000 2.607 257 S HA 0.743 5.213 4.470 0.001 0.000 0.272 257 S C -0.156 173.867 174.600 -0.962 0.000 1.166 257 S CA -0.461 56.630 58.200 -1.848 0.000 1.021 257 S CB 1.228 63.322 63.200 -1.843 0.000 1.113 257 S HN 0.646 nan 8.310 nan 0.000 0.531 258 W N 0.048 121.062 121.300 -0.476 0.000 2.604 258 W HA 0.472 5.133 4.660 0.001 0.000 0.302 258 W C 0.677 177.185 176.519 -0.019 0.000 1.013 258 W CA -0.083 57.210 57.345 -0.087 0.000 1.338 258 W CB 0.931 30.423 29.460 0.054 0.000 1.233 258 W HN 1.316 nan 8.180 nan 0.000 0.390 259 G N 1.145 110.033 108.800 0.147 0.000 2.205 259 G HA2 -0.221 3.740 3.960 0.001 0.000 0.261 259 G HA3 -0.221 3.740 3.960 0.001 0.000 0.261 259 G C 1.008 175.973 174.900 0.109 0.000 0.980 259 G CA 0.492 45.615 45.100 0.039 0.000 0.632 259 G HN 1.586 nan 8.290 nan 0.000 0.533 260 G N -0.473 108.388 108.800 0.101 0.000 2.153 260 G HA2 -0.079 3.882 3.960 0.001 0.000 0.252 260 G HA3 -0.079 3.882 3.960 0.001 0.000 0.252 260 G C 0.407 175.504 174.900 0.328 0.000 0.994 260 G CA 1.116 46.345 45.100 0.215 0.000 0.698 260 G HN 2.181 nan 8.290 nan 0.000 0.521 261 I N -3.676 117.058 120.570 0.274 0.000 2.785 261 I HA 0.732 4.903 4.170 0.001 0.000 0.302 261 I C 1.176 177.483 176.117 0.317 0.000 1.069 261 I CA -0.851 60.615 61.300 0.277 0.000 1.045 261 I CB 1.700 39.815 38.000 0.192 0.000 1.236 261 I HN 0.055 nan 8.210 nan 0.000 0.429 262 Q N 2.916 122.833 119.800 0.195 0.000 2.123 262 Q HA 0.101 4.442 4.340 0.001 0.000 0.199 262 Q C -1.410 174.443 176.000 -0.245 0.000 0.966 262 Q CA 1.499 57.289 55.803 -0.022 0.000 0.845 262 Q CB -1.879 26.675 28.738 -0.308 0.000 0.907 262 Q HN 0.584 nan 8.270 nan 0.000 0.439 263 P HA -0.142 nan 4.420 nan 0.000 0.210 263 P C -1.406 175.789 177.300 -0.175 0.000 1.185 263 P CA 2.204 65.129 63.100 -0.292 0.000 0.924 263 P CB -1.323 30.346 31.700 -0.052 0.000 0.786 264 P HA -0.200 nan 4.420 nan 0.000 0.218 264 P C 1.516 178.970 177.300 0.257 0.000 1.149 264 P CA 1.348 64.585 63.100 0.229 0.000 0.817 264 P CB -0.527 31.322 31.700 0.248 0.000 0.785 265 W N 0.714 122.116 121.300 0.170 0.000 2.358 265 W HA -0.150 4.511 4.660 0.001 0.000 0.303 265 W C 1.943 178.626 176.519 0.273 0.000 1.208 265 W CA 0.877 58.424 57.345 0.337 0.000 1.274 265 W CB -1.455 28.218 29.460 0.356 0.000 1.138 265 W HN -0.167 nan 8.180 nan 0.000 0.515 266 F N -0.611 119.322 119.950 -0.028 0.000 2.113 266 F HA -0.172 4.356 4.527 0.001 0.000 0.297 266 F C 2.264 177.988 175.800 -0.127 0.000 1.103 266 F CA 1.401 59.285 58.000 -0.193 0.000 1.248 266 F CB -1.651 37.166 39.000 -0.305 0.000 0.999 266 F HN -0.179 nan 8.300 nan 0.000 0.475 267 Y N -0.137 120.291 120.300 0.213 0.000 2.293 267 Y HA -0.039 4.512 4.550 0.001 0.000 0.291 267 Y C 2.484 178.352 175.900 -0.054 0.000 1.137 267 Y CA 0.385 58.502 58.100 0.028 0.000 1.202 267 Y CB -1.591 36.864 38.460 -0.007 0.000 0.990 267 Y HN 0.019 nan 8.280 nan 0.000 0.537 268 A N 0.199 123.004 122.820 -0.025 0.000 1.877 268 A HA -0.133 4.187 4.320 0.001 0.000 0.216 268 A C 2.323 179.810 177.584 -0.162 0.000 1.186 268 A CA 1.450 53.267 52.037 -0.367 0.000 0.620 268 A CB -1.107 17.194 19.000 -1.166 0.000 0.822 268 A HN 0.446 nan 8.150 nan 0.000 0.443 269 L N -0.524 120.710 121.223 0.018 0.000 2.046 269 L HA -0.197 4.144 4.340 0.001 0.000 0.208 269 L C 2.492 179.454 176.870 0.154 0.000 1.077 269 L CA 1.305 56.211 54.840 0.110 0.000 0.747 269 L CB -0.458 41.626 42.059 0.042 0.000 0.896 269 L HN 0.408 nan 8.230 nan 0.000 0.432 270 I N -0.488 120.143 120.570 0.102 0.000 2.202 270 I HA -0.269 3.902 4.170 0.001 0.000 0.242 270 I C 2.811 178.992 176.117 0.106 0.000 1.091 270 I CA 1.073 62.435 61.300 0.103 0.000 1.368 270 I CB -0.520 37.550 38.000 0.118 0.000 1.058 270 I HN 0.195 nan 8.210 nan 0.000 0.410 271 A N 1.226 124.088 122.820 0.069 0.000 1.883 271 A HA -0.199 4.121 4.320 0.001 0.000 0.217 271 A C 2.319 179.929 177.584 0.044 0.000 1.186 271 A CA 1.587 53.640 52.037 0.027 0.000 0.624 271 A CB -0.971 18.010 19.000 -0.031 0.000 0.822 271 A HN 0.393 nan 8.150 nan 0.000 0.444 272 L N -0.905 120.371 121.223 0.088 0.000 2.083 272 L HA -0.214 4.127 4.340 0.001 0.000 0.209 272 L C 2.626 179.549 176.870 0.089 0.000 1.083 272 L CA 1.839 56.760 54.840 0.134 0.000 0.752 272 L CB -0.409 41.846 42.059 0.327 0.000 0.899 272 L HN 0.411 nan 8.230 nan 0.000 0.433 273 K N 1.210 121.683 120.400 0.122 0.000 2.057 273 K HA -0.137 4.184 4.320 0.001 0.000 0.207 273 K C 1.800 178.415 176.600 0.025 0.000 1.049 273 K CA 1.590 57.882 56.287 0.009 0.000 0.931 273 K CB -0.374 32.142 32.500 0.028 0.000 0.714 273 K HN 0.226 nan 8.250 nan 0.000 0.440 274 I N 0.534 121.150 120.570 0.078 0.000 2.361 274 I HA -0.205 3.966 4.170 0.001 0.000 0.251 274 I C 1.450 177.577 176.117 0.016 0.000 1.133 274 I CA 0.950 62.296 61.300 0.076 0.000 1.413 274 I CB -0.164 37.871 38.000 0.059 0.000 1.073 274 I HN 0.071 nan 8.210 nan 0.000 0.424 275 L N 0.580 121.804 121.223 0.001 0.000 2.660 275 L HA 0.026 4.367 4.340 0.001 0.000 0.238 275 L C 0.176 177.031 176.870 -0.025 0.000 1.161 275 L CA 0.105 54.936 54.840 -0.015 0.000 0.937 275 L CB -0.520 41.529 42.059 -0.017 0.000 1.122 275 L HN 0.237 nan 8.230 nan 0.000 0.435 276 D N -0.725 119.651 120.400 -0.040 0.000 3.077 276 D HA -0.246 4.395 4.640 0.001 0.000 0.217 276 D C 0.721 176.970 176.300 -0.085 0.000 1.162 276 D CA 1.287 55.249 54.000 -0.064 0.000 0.943 276 D CB -0.865 39.913 40.800 -0.038 0.000 1.122 276 D HN 0.366 nan 8.370 nan 0.000 0.413 277 M N 0.074 119.624 119.600 -0.084 0.000 2.854 277 M HA 0.066 4.547 4.480 0.001 0.000 0.251 277 M C 1.595 177.780 176.300 -0.191 0.000 1.301 277 M CA 0.405 55.673 55.300 -0.052 0.000 1.059 277 M CB -0.037 32.556 32.600 -0.012 0.000 1.419 277 M HN 0.038 nan 8.290 nan 0.000 0.467 278 T N -2.422 111.878 114.554 -0.424 0.000 3.035 278 T HA -0.125 4.225 4.350 0.001 0.000 0.268 278 T C 1.154 175.549 174.700 -0.508 0.000 1.109 278 T CA 0.662 62.189 62.100 -0.955 0.000 1.119 278 T CB -0.146 68.249 68.868 -0.788 0.000 0.900 278 T HN 0.659 nan 8.240 nan 0.000 0.503 279 Q N 0.385 120.087 119.800 -0.164 0.000 2.211 279 Q HA 0.252 4.593 4.340 0.001 0.000 0.301 279 Q C -0.397 175.653 176.000 0.083 0.000 0.884 279 Q CA -0.616 55.178 55.803 -0.015 0.000 1.115 279 Q CB 0.131 28.851 28.738 -0.031 0.000 1.217 279 Q HN 0.546 nan 8.270 nan 0.000 0.451 280 H N 1.056 120.163 119.070 0.061 0.000 2.472 280 H HA 0.242 4.798 4.556 0.001 0.000 0.338 280 H C -2.102 173.337 175.328 0.185 0.000 1.133 280 H CA -1.782 54.333 56.048 0.111 0.000 1.216 280 H CB 2.199 32.030 29.762 0.115 0.000 1.497 280 H HN -0.162 nan 8.280 nan 0.000 0.500 281 P HA -0.229 nan 4.420 nan 0.000 0.217 281 P C 1.154 178.645 177.300 0.317 0.000 1.162 281 P CA 2.793 65.947 63.100 0.089 0.000 0.901 281 P CB -0.019 31.625 31.700 -0.092 0.000 0.793 282 A N -1.742 121.422 122.820 0.573 0.000 1.940 282 A HA -0.230 4.091 4.320 0.001 0.000 0.219 282 A C 2.141 180.001 177.584 0.460 0.000 1.176 282 A CA 1.639 53.939 52.037 0.439 0.000 0.631 282 A CB -1.776 17.480 19.000 0.427 0.000 0.814 282 A HN 0.184 nan 8.150 nan 0.000 0.446 283 F N 0.804 120.982 119.950 0.380 0.000 2.060 283 F HA -0.150 4.378 4.527 0.001 0.000 0.295 283 F C 2.019 178.016 175.800 0.329 0.000 1.120 283 F CA 1.545 59.745 58.000 0.333 0.000 1.205 283 F CB -0.176 38.962 39.000 0.231 0.000 0.986 283 F HN 0.132 nan 8.300 nan 0.000 0.470 284 I N 0.978 121.876 120.570 0.548 0.000 2.087 284 I HA -0.353 3.818 4.170 0.001 0.000 0.240 284 I C 2.404 178.691 176.117 0.284 0.000 1.054 284 I CA 1.862 63.404 61.300 0.405 0.000 1.311 284 I CB -1.691 36.494 38.000 0.308 0.000 1.024 284 I HN 0.187 nan 8.210 nan 0.000 0.402 285 K N 1.265 121.800 120.400 0.226 0.000 2.063 285 K HA -0.131 4.190 4.320 0.001 0.000 0.208 285 K C 2.117 178.827 176.600 0.183 0.000 1.048 285 K CA 1.773 58.155 56.287 0.159 0.000 0.928 285 K CB -0.991 31.561 32.500 0.087 0.000 0.713 285 K HN 0.352 nan 8.250 nan 0.000 0.442 286 G N 0.477 109.408 108.800 0.218 0.000 2.446 286 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 286 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 286 G C 1.434 176.617 174.900 0.472 0.000 1.168 286 G CA 0.835 46.171 45.100 0.392 0.000 0.771 286 G HN 0.544 nan 8.290 nan 0.000 0.551 287 W N 2.361 123.657 121.300 -0.007 0.000 2.354 287 W HA -0.129 4.532 4.660 0.001 0.000 0.315 287 W C 2.512 179.083 176.519 0.087 0.000 1.206 287 W CA 1.754 59.044 57.345 -0.091 0.000 1.290 287 W CB -0.115 29.197 29.460 -0.246 0.000 1.152 287 W HN 0.541 nan 8.180 nan 0.000 0.489 288 E N -0.179 120.062 120.200 0.068 0.000 2.338 288 E HA -0.059 4.292 4.350 0.001 0.000 0.197 288 E C 2.098 178.744 176.600 0.076 0.000 1.007 288 E CA 1.257 57.653 56.400 -0.006 0.000 0.849 288 E CB -0.943 28.842 29.700 0.141 0.000 0.774 288 E HN 0.244 nan 8.360 nan 0.000 0.506 289 G N 1.450 110.387 108.800 0.229 0.000 2.511 289 G HA2 -0.104 3.857 3.960 0.001 0.000 0.217 289 G HA3 -0.104 3.857 3.960 0.001 0.000 0.217 289 G C 1.536 176.782 174.900 0.576 0.000 1.133 289 G CA 0.117 45.451 45.100 0.390 0.000 0.792 289 G HN 0.157 nan 8.290 nan 0.000 0.539 290 L N 0.345 121.772 121.223 0.340 0.000 2.043 290 L HA -0.113 4.227 4.340 0.001 0.000 0.212 290 L C 2.817 179.878 176.870 0.319 0.000 1.075 290 L CA 1.027 55.956 54.840 0.148 0.000 0.752 290 L CB -0.249 41.672 42.059 -0.231 0.000 0.891 290 L HN 0.156 nan 8.230 nan 0.000 0.432 291 E N -0.076 120.238 120.200 0.190 0.000 2.219 291 E HA -0.260 4.090 4.350 0.001 0.000 0.198 291 E C 2.076 178.817 176.600 0.235 0.000 0.998 291 E CA 1.157 57.679 56.400 0.204 0.000 0.818 291 E CB -0.317 29.448 29.700 0.109 0.000 0.741 291 E HN 0.341 nan 8.360 nan 0.000 0.477 292 L N -0.367 121.036 121.223 0.299 0.000 2.217 292 L HA -0.122 4.218 4.340 0.001 0.000 0.211 292 L C 1.647 178.631 176.870 0.191 0.000 1.107 292 L CA 1.446 56.448 54.840 0.270 0.000 0.783 292 L CB -0.309 41.926 42.059 0.293 0.000 0.919 292 L HN 0.001 nan 8.230 nan 0.000 0.442 293 Y N -0.372 119.928 120.300 -0.000 0.000 2.523 293 Y HA 0.368 4.919 4.550 0.001 0.000 0.279 293 Y C 1.678 177.184 175.900 -0.658 0.000 1.139 293 Y CA -0.150 57.743 58.100 -0.345 0.000 1.296 293 Y CB -0.649 37.392 38.460 -0.698 0.000 1.045 293 Y HN 0.151 nan 8.280 nan 0.000 0.538 294 G N 0.369 109.014 108.800 -0.258 0.000 2.467 294 G HA2 0.458 4.418 3.960 0.001 0.000 0.257 294 G HA3 0.458 4.418 3.960 0.001 0.000 0.257 294 G C -1.078 173.546 174.900 -0.460 0.000 1.227 294 G CA -0.141 44.691 45.100 -0.447 0.000 0.835 294 G HN -0.084 nan 8.290 nan 0.000 0.556 295 V N 1.276 120.682 119.914 -0.846 0.000 2.709 295 V HA 0.346 4.466 4.120 0.001 0.000 0.308 295 V C -0.450 175.372 176.094 -0.454 0.000 1.062 295 V CA -0.866 61.115 62.300 -0.533 0.000 0.901 295 V CB 1.995 33.514 31.823 -0.506 0.000 1.003 295 V HN 0.839 nan 8.190 nan 0.000 0.425 296 E N 3.207 123.297 120.200 -0.183 0.000 2.167 296 E HA 0.559 4.909 4.350 0.001 0.000 0.284 296 E C -1.074 175.414 176.600 -0.187 0.000 1.016 296 E CA -0.180 56.173 56.400 -0.077 0.000 0.817 296 E CB 1.001 30.701 29.700 -0.000 0.000 1.080 296 E HN 0.550 nan 8.360 nan 0.000 0.397 297 L N 4.026 125.087 121.223 -0.270 0.000 2.334 297 L HA 0.248 4.589 4.340 0.001 0.000 0.277 297 L C 1.016 177.691 176.870 -0.326 0.000 1.075 297 L CA -0.447 54.165 54.840 -0.381 0.000 0.804 297 L CB 1.272 42.901 42.059 -0.716 0.000 1.174 297 L HN 0.714 nan 8.230 nan 0.000 0.438 298 D N 0.302 120.585 120.400 -0.195 0.000 2.182 298 D HA -0.315 4.326 4.640 0.001 0.000 0.201 298 D C 1.432 177.724 176.300 -0.013 0.000 0.986 298 D CA 1.577 55.535 54.000 -0.071 0.000 0.847 298 D CB -0.386 40.414 40.800 -0.000 0.000 0.942 298 D HN 0.644 nan 8.370 nan 0.000 0.467 299 Y N -1.493 118.803 120.300 -0.006 0.000 2.553 299 Y HA 0.392 4.943 4.550 0.001 0.000 0.303 299 Y C 1.642 177.562 175.900 0.034 0.000 1.194 299 Y CA -0.406 57.702 58.100 0.014 0.000 1.305 299 Y CB -0.470 37.994 38.460 0.007 0.000 1.045 299 Y HN 0.097 nan 8.280 nan 0.000 0.514 300 G N -0.697 108.062 108.800 -0.068 0.000 2.157 300 G HA2 -0.184 3.776 3.960 0.001 0.000 0.239 300 G HA3 -0.184 3.776 3.960 0.001 0.000 0.239 300 G C 0.573 175.436 174.900 -0.062 0.000 0.982 300 G CA -0.176 44.913 45.100 -0.018 0.000 0.650 300 G HN 0.977 nan 8.290 nan 0.000 0.527 301 G N -1.396 107.189 108.800 -0.359 0.000 2.537 301 G HA2 0.557 4.517 3.960 0.001 0.000 0.297 301 G HA3 0.557 4.517 3.960 0.001 0.000 0.297 301 G C -0.806 174.034 174.900 -0.100 0.000 1.310 301 G CA -0.439 44.540 45.100 -0.201 0.000 1.027 301 G HN 1.017 nan 8.290 nan 0.000 0.505 302 W N 0.745 121.895 121.300 -0.251 0.000 3.326 302 W HA 0.576 5.236 4.660 0.001 0.000 0.333 302 W C -0.366 175.865 176.519 -0.479 0.000 1.108 302 W CA -0.958 56.204 57.345 -0.305 0.000 1.245 302 W CB 1.381 30.716 29.460 -0.208 0.000 1.331 302 W HN 0.729 nan 8.180 nan 0.000 0.464 303 M N 4.242 123.178 119.600 -1.108 0.000 2.821 303 M HA 0.751 5.232 4.480 0.001 0.000 0.304 303 M C -1.898 173.578 176.300 -1.374 0.000 1.233 303 M CA -0.854 53.716 55.300 -1.217 0.000 0.851 303 M CB 2.611 34.610 32.600 -1.003 0.000 1.723 303 M HN 0.402 nan 8.290 nan 0.000 0.493 304 F N 0.950 120.324 119.950 -0.960 0.000 2.518 304 F HA 0.451 4.979 4.527 0.001 0.000 0.323 304 F C -0.838 174.787 175.800 -0.291 0.000 1.129 304 F CA -0.386 57.209 58.000 -0.675 0.000 0.920 304 F CB 2.049 40.779 39.000 -0.450 0.000 1.160 304 F HN 0.689 nan 8.300 nan 0.000 0.440 305 Q N 4.370 123.866 119.800 -0.507 0.000 2.304 305 Q HA 0.364 4.705 4.340 0.001 0.000 0.260 305 Q C 0.974 177.044 176.000 0.116 0.000 0.965 305 Q CA 0.235 55.941 55.803 -0.162 0.000 0.898 305 Q CB 1.673 30.316 28.738 -0.158 0.000 1.196 305 Q HN 0.911 nan 8.270 nan 0.000 0.402 306 A N 2.515 125.456 122.820 0.202 0.000 1.978 306 A HA -0.095 4.225 4.320 0.001 0.000 0.220 306 A C 0.997 178.767 177.584 0.311 0.000 1.170 306 A CA 1.693 53.895 52.037 0.275 0.000 0.636 306 A CB 0.197 19.378 19.000 0.303 0.000 0.810 306 A HN 0.588 nan 8.150 nan 0.000 0.448 307 S N -2.622 113.274 115.700 0.326 0.000 2.683 307 S HA 0.580 5.051 4.470 0.001 0.000 0.269 307 S C -1.575 173.195 174.600 0.284 0.000 1.165 307 S CA -0.101 58.368 58.200 0.448 0.000 0.840 307 S CB 0.492 63.943 63.200 0.419 0.000 1.169 307 S HN 0.893 nan 8.310 nan 0.000 0.490 308 I N 0.507 121.170 120.570 0.155 0.000 2.582 308 I HA 0.669 4.840 4.170 0.001 0.000 0.292 308 I C -0.102 175.671 176.117 -0.572 0.000 1.066 308 I CA -0.683 60.562 61.300 -0.091 0.000 1.053 308 I CB 2.396 40.247 38.000 -0.249 0.000 1.241 308 I HN 0.575 nan 8.210 nan 0.000 0.421 309 S N 3.150 118.523 115.700 -0.545 0.000 2.537 309 S HA 0.383 4.854 4.470 0.001 0.000 0.246 309 S C -1.446 172.871 174.600 -0.472 0.000 1.036 309 S CA -0.926 56.702 58.200 -0.954 0.000 1.041 309 S CB -0.547 62.511 63.200 -0.237 0.000 0.799 309 S HN 0.701 nan 8.310 nan 0.000 0.456 310 P HA -0.117 nan 4.420 nan 0.000 0.215 310 P C 1.509 178.698 177.300 -0.185 0.000 1.153 310 P CA 1.032 63.741 63.100 -0.651 0.000 0.853 310 P CB -0.068 30.607 31.700 -1.708 0.000 0.788 311 V N -0.547 119.299 119.914 -0.114 0.000 2.358 311 V HA -0.168 3.953 4.120 0.001 0.000 0.246 311 V C 2.595 178.816 176.094 0.211 0.000 1.047 311 V CA 1.619 64.026 62.300 0.178 0.000 1.035 311 V CB -1.548 30.378 31.823 0.173 0.000 0.658 311 V HN 0.192 nan 8.190 nan 0.000 0.452 312 W N 1.344 122.635 121.300 -0.016 0.000 2.332 312 W HA -0.231 4.430 4.660 0.001 0.000 0.321 312 W C 2.288 178.828 176.519 0.035 0.000 1.219 312 W CA 2.010 59.411 57.345 0.093 0.000 1.277 312 W CB -0.170 29.488 29.460 0.330 0.000 1.161 312 W HN 0.331 nan 8.180 nan 0.000 0.476 313 D N -0.134 120.331 120.400 0.107 0.000 2.103 313 D HA -0.202 4.438 4.640 0.001 0.000 0.190 313 D C 2.053 178.292 176.300 -0.102 0.000 0.997 313 D CA 2.637 56.637 54.000 0.000 0.000 0.833 313 D CB -0.960 39.948 40.800 0.180 0.000 0.961 313 D HN 0.105 nan 8.370 nan 0.000 0.447 314 T N 0.347 114.939 114.554 0.063 0.000 2.607 314 T HA -0.152 4.199 4.350 0.001 0.000 0.267 314 T C 1.984 176.627 174.700 -0.095 0.000 1.049 314 T CA 1.868 64.052 62.100 0.140 0.000 1.162 314 T CB -0.925 68.078 68.868 0.224 0.000 0.863 314 T HN 0.305 nan 8.240 nan 0.000 0.424 315 G N 1.430 110.156 108.800 -0.123 0.000 2.491 315 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 315 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 315 G C 1.533 176.140 174.900 -0.489 0.000 1.180 315 G CA 0.875 45.814 45.100 -0.269 0.000 0.774 315 G HN 0.461 nan 8.290 nan 0.000 0.562 316 L N 0.675 121.510 121.223 -0.648 0.000 2.046 316 L HA -0.091 4.250 4.340 0.001 0.000 0.208 316 L C 3.472 179.912 176.870 -0.716 0.000 1.077 316 L CA 1.016 55.378 54.840 -0.797 0.000 0.747 316 L CB -0.514 40.952 42.059 -0.989 0.000 0.896 316 L HN 0.333 nan 8.230 nan 0.000 0.432 317 A N -0.151 122.236 122.820 -0.722 0.000 1.892 317 A HA -0.188 4.133 4.320 0.001 0.000 0.218 317 A C 2.347 179.453 177.584 -0.797 0.000 1.188 317 A CA 2.081 53.551 52.037 -0.945 0.000 0.631 317 A CB -0.924 17.066 19.000 -1.684 0.000 0.822 317 A HN 0.199 nan 8.150 nan 0.000 0.447 318 V N 0.148 119.692 119.914 -0.617 0.000 2.255 318 V HA -0.288 3.832 4.120 0.001 0.000 0.247 318 V C 2.585 178.444 176.094 -0.393 0.000 1.051 318 V CA 2.080 64.143 62.300 -0.395 0.000 1.018 318 V CB -0.822 30.858 31.823 -0.238 0.000 0.641 318 V HN 0.587 nan 8.190 nan 0.000 0.445 319 L N -0.123 120.803 121.223 -0.495 0.000 2.079 319 L HA -0.219 4.122 4.340 0.001 0.000 0.210 319 L C 2.727 179.356 176.870 -0.401 0.000 1.081 319 L CA 1.611 56.134 54.840 -0.529 0.000 0.752 319 L CB -0.845 40.733 42.059 -0.801 0.000 0.896 319 L HN 0.403 nan 8.230 nan 0.000 0.433 320 A N 0.300 122.863 122.820 -0.427 0.000 1.858 320 A HA -0.184 4.136 4.320 0.001 0.000 0.216 320 A C 2.231 179.678 177.584 -0.229 0.000 1.190 320 A CA 1.507 53.349 52.037 -0.325 0.000 0.617 320 A CB -0.762 18.011 19.000 -0.379 0.000 0.827 320 A HN 0.348 nan 8.150 nan 0.000 0.443 321 L N -1.202 119.866 121.223 -0.259 0.000 2.046 321 L HA -0.183 4.158 4.340 0.001 0.000 0.208 321 L C 2.910 179.709 176.870 -0.118 0.000 1.077 321 L CA 1.049 55.785 54.840 -0.174 0.000 0.747 321 L CB -0.510 41.428 42.059 -0.202 0.000 0.896 321 L HN 0.279 nan 8.230 nan 0.000 0.432 322 R N 0.200 120.616 120.500 -0.140 0.000 2.073 322 R HA -0.104 4.237 4.340 0.001 0.000 0.234 322 R C 2.310 178.575 176.300 -0.058 0.000 1.134 322 R CA 1.584 57.632 56.100 -0.088 0.000 0.952 322 R CB -0.945 29.288 30.300 -0.111 0.000 0.850 322 R HN 0.361 nan 8.270 nan 0.000 0.433 323 A N 0.984 123.755 122.820 -0.082 0.000 1.930 323 A HA -0.039 4.281 4.320 0.001 0.000 0.217 323 A C 2.370 179.945 177.584 -0.015 0.000 1.175 323 A CA 1.699 53.711 52.037 -0.042 0.000 0.627 323 A CB -0.543 18.422 19.000 -0.057 0.000 0.815 323 A HN 0.342 nan 8.150 nan 0.000 0.443 324 A N -1.869 120.936 122.820 -0.025 0.000 1.940 324 A HA 0.250 4.571 4.320 0.001 0.000 0.219 324 A C 2.031 179.636 177.584 0.036 0.000 1.176 324 A CA 2.314 54.358 52.037 0.012 0.000 0.631 324 A CB -0.675 18.327 19.000 0.004 0.000 0.814 324 A HN 1.696 nan 8.150 nan 0.000 0.446 325 G N -2.870 105.945 108.800 0.024 0.000 2.977 325 G HA2 -0.015 3.946 3.960 0.001 0.000 0.211 325 G HA3 -0.015 3.946 3.960 0.001 0.000 0.211 325 G C 0.121 175.053 174.900 0.052 0.000 0.994 325 G CA -0.148 44.978 45.100 0.044 0.000 0.795 325 G HN 0.296 nan 8.290 nan 0.000 0.518 326 L N 3.538 124.791 121.223 0.050 0.000 2.525 326 L HA 0.242 4.583 4.340 0.001 0.000 0.278 326 L C -1.197 175.728 176.870 0.092 0.000 1.218 326 L CA -1.105 53.793 54.840 0.098 0.000 0.878 326 L CB 0.197 42.282 42.059 0.043 0.000 1.127 326 L HN 0.115 nan 8.230 nan 0.000 0.492 327 P HA -0.008 nan 4.420 nan 0.000 0.269 327 P C 0.146 177.504 177.300 0.098 0.000 1.209 327 P CA -0.230 62.925 63.100 0.091 0.000 0.776 327 P CB 0.997 32.741 31.700 0.074 0.000 0.876 328 A N 3.041 125.900 122.820 0.065 0.000 2.024 328 A HA -0.204 4.116 4.320 0.001 0.000 0.220 328 A C 1.196 178.825 177.584 0.076 0.000 1.164 328 A CA 2.090 54.163 52.037 0.060 0.000 0.643 328 A CB -1.157 17.871 19.000 0.047 0.000 0.806 328 A HN 0.660 nan 8.150 nan 0.000 0.451 329 D N -2.416 118.031 120.400 0.078 0.000 2.368 329 D HA 0.029 4.670 4.640 0.001 0.000 0.218 329 D C 0.549 176.907 176.300 0.096 0.000 1.112 329 D CA -0.448 53.596 54.000 0.073 0.000 0.834 329 D CB -0.686 40.140 40.800 0.043 0.000 0.953 329 D HN 0.405 nan 8.370 nan 0.000 0.505 330 H N 2.691 121.776 119.070 0.025 0.000 3.187 330 H HA -0.072 4.485 4.556 0.001 0.000 0.286 330 H C 1.173 176.516 175.328 0.025 0.000 0.944 330 H CA 0.598 56.660 56.048 0.024 0.000 1.429 330 H CB 0.637 30.416 29.762 0.028 0.000 1.483 330 H HN 0.271 nan 8.280 nan 0.000 0.555 331 D N 4.343 124.838 120.400 0.157 0.000 2.220 331 D HA -0.265 4.375 4.640 0.001 0.000 0.198 331 D C 1.683 178.091 176.300 0.181 0.000 1.001 331 D CA 0.964 55.043 54.000 0.133 0.000 0.875 331 D CB 0.142 40.967 40.800 0.040 0.000 0.921 331 D HN 0.332 nan 8.370 nan 0.000 0.454 332 R N 0.405 121.112 120.500 0.345 0.000 2.062 332 R HA 0.165 4.506 4.340 0.001 0.000 0.229 332 R C 2.549 178.881 176.300 0.054 0.000 1.128 332 R CA 0.579 56.746 56.100 0.112 0.000 0.960 332 R CB -0.633 29.673 30.300 0.010 0.000 0.855 332 R HN 0.258 nan 8.270 nan 0.000 0.432 333 L N -0.124 121.144 121.223 0.075 0.000 2.465 333 L HA -0.059 4.281 4.340 0.001 0.000 0.224 333 L C 1.812 178.744 176.870 0.102 0.000 1.145 333 L CA 0.363 55.255 54.840 0.087 0.000 0.834 333 L CB -0.162 41.927 42.059 0.050 0.000 0.944 333 L HN 0.027 nan 8.230 nan 0.000 0.451 334 V N -0.551 119.427 119.914 0.106 0.000 2.407 334 V HA -0.167 3.954 4.120 0.001 0.000 0.245 334 V C 2.491 178.642 176.094 0.095 0.000 1.041 334 V CA 1.249 63.606 62.300 0.095 0.000 1.040 334 V CB -0.363 31.511 31.823 0.085 0.000 0.671 334 V HN 0.362 nan 8.190 nan 0.000 0.455 335 K N 0.750 121.193 120.400 0.072 0.000 2.032 335 K HA -0.182 4.139 4.320 0.001 0.000 0.209 335 K C 2.316 178.986 176.600 0.117 0.000 1.048 335 K CA 1.704 58.029 56.287 0.062 0.000 0.927 335 K CB -0.709 31.777 32.500 -0.023 0.000 0.712 335 K HN 0.465 nan 8.250 nan 0.000 0.441 336 A N 1.283 124.162 122.820 0.098 0.000 1.883 336 A HA -0.117 4.204 4.320 0.001 0.000 0.217 336 A C 2.541 180.280 177.584 0.259 0.000 1.186 336 A CA 2.226 54.373 52.037 0.182 0.000 0.624 336 A CB -1.257 17.890 19.000 0.245 0.000 0.822 336 A HN 0.418 nan 8.150 nan 0.000 0.444 337 G N -0.500 108.408 108.800 0.180 0.000 2.446 337 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 337 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 337 G C 1.404 176.409 174.900 0.176 0.000 1.168 337 G CA 1.027 46.221 45.100 0.157 0.000 0.771 337 G HN 0.520 nan 8.290 nan 0.000 0.551 338 E N -0.242 120.063 120.200 0.174 0.000 2.077 338 E HA -0.148 4.203 4.350 0.001 0.000 0.193 338 E C 2.041 178.755 176.600 0.191 0.000 0.989 338 E CA 0.879 57.372 56.400 0.155 0.000 0.800 338 E CB -0.369 29.410 29.700 0.132 0.000 0.746 338 E HN 0.686 nan 8.360 nan 0.000 0.452 339 W N 1.841 123.186 121.300 0.075 0.000 2.355 339 W HA -0.159 4.502 4.660 0.001 0.000 0.309 339 W C 2.095 178.679 176.519 0.108 0.000 1.206 339 W CA 1.398 58.799 57.345 0.093 0.000 1.284 339 W CB -0.451 29.086 29.460 0.128 0.000 1.145 339 W HN -0.037 nan 8.180 nan 0.000 0.502 340 L N 0.129 121.545 121.223 0.321 0.000 2.042 340 L HA -0.295 4.046 4.340 0.001 0.000 0.210 340 L C 2.569 179.515 176.870 0.128 0.000 1.076 340 L CA 1.499 56.433 54.840 0.156 0.000 0.749 340 L CB -1.084 41.080 42.059 0.174 0.000 0.893 340 L HN 0.088 nan 8.230 nan 0.000 0.432 341 L N -0.503 120.798 121.223 0.131 0.000 2.042 341 L HA -0.271 4.070 4.340 0.001 0.000 0.210 341 L C 2.047 178.939 176.870 0.037 0.000 1.076 341 L CA 1.243 56.164 54.840 0.135 0.000 0.749 341 L CB -0.655 41.465 42.059 0.102 0.000 0.893 341 L HN 0.352 nan 8.230 nan 0.000 0.432 342 D N -0.498 119.864 120.400 -0.064 0.000 2.348 342 D HA -0.127 4.514 4.640 0.001 0.000 0.216 342 D C 2.071 178.238 176.300 -0.221 0.000 0.970 342 D CA 0.636 54.548 54.000 -0.146 0.000 0.889 342 D CB 0.019 40.710 40.800 -0.182 0.000 0.912 342 D HN 0.088 nan 8.370 nan 0.000 0.524 343 R N 0.633 121.000 120.500 -0.221 0.000 2.246 343 R HA 0.081 4.422 4.340 0.001 0.000 0.199 343 R C 0.681 176.841 176.300 -0.233 0.000 0.984 343 R CA 0.045 56.007 56.100 -0.230 0.000 1.015 343 R CB -0.305 29.835 30.300 -0.266 0.000 0.930 343 R HN 0.191 nan 8.270 nan 0.000 0.475 344 Q N 0.446 120.040 119.800 -0.342 0.000 2.286 344 Q HA 0.027 4.368 4.340 0.001 0.000 0.290 344 Q C -0.808 174.860 176.000 -0.554 0.000 1.049 344 Q CA 0.135 55.416 55.803 -0.871 0.000 0.923 344 Q CB 0.495 28.823 28.738 -0.684 0.000 1.183 344 Q HN 0.057 nan 8.270 nan 0.000 0.383 345 I N 3.295 123.499 120.570 -0.610 0.000 2.371 345 I HA 0.034 4.205 4.170 0.001 0.000 0.290 345 I C 1.184 177.116 176.117 -0.308 0.000 1.028 345 I CA 0.298 61.366 61.300 -0.387 0.000 1.345 345 I CB 1.542 39.331 38.000 -0.351 0.000 1.407 345 I HN 0.760 nan 8.210 nan 0.000 0.501 346 T N 2.382 116.821 114.554 -0.191 0.000 3.044 346 T HA 0.264 4.615 4.350 0.001 0.000 0.260 346 T C 0.356 175.038 174.700 -0.029 0.000 1.019 346 T CA -0.121 61.914 62.100 -0.107 0.000 0.921 346 T CB -0.286 68.527 68.868 -0.092 0.000 1.053 346 T HN 0.333 nan 8.240 nan 0.000 0.533 347 V N -0.994 118.906 119.914 -0.024 0.000 2.966 347 V HA 0.801 4.922 4.120 0.001 0.000 0.317 347 V C -3.117 173.048 176.094 0.119 0.000 1.070 347 V CA -2.846 59.472 62.300 0.029 0.000 1.008 347 V CB 1.238 33.066 31.823 0.009 0.000 1.070 347 V HN -0.076 nan 8.190 nan 0.000 0.457 348 P HA 0.617 nan 4.420 nan 0.000 0.279 348 P C -0.145 177.084 177.300 -0.118 0.000 1.252 348 P CA 0.135 63.178 63.100 -0.095 0.000 0.811 348 P CB 1.258 32.795 31.700 -0.271 0.000 1.035 349 G N -0.076 108.414 108.800 -0.516 0.000 3.140 349 G HA2 0.217 4.177 3.960 0.001 0.000 0.271 349 G HA3 0.217 4.177 3.960 0.001 0.000 0.271 349 G C 0.098 174.677 174.900 -0.535 0.000 1.370 349 G CA -0.375 44.554 45.100 -0.284 0.000 1.014 349 G HN 0.251 nan 8.290 nan 0.000 0.541 350 D N -0.205 120.067 120.400 -0.213 0.000 2.190 350 D HA -0.126 4.514 4.640 0.001 0.000 0.200 350 D C 2.272 178.629 176.300 0.095 0.000 0.992 350 D CA 1.636 55.665 54.000 0.048 0.000 0.854 350 D CB -0.096 40.907 40.800 0.337 0.000 0.936 350 D HN 0.617 nan 8.370 nan 0.000 0.462 351 W N 0.999 122.443 121.300 0.240 0.000 2.350 351 W HA -0.061 4.600 4.660 0.001 0.000 0.289 351 W C 1.757 178.384 176.519 0.179 0.000 1.215 351 W CA 0.850 58.352 57.345 0.262 0.000 1.236 351 W CB -1.161 28.532 29.460 0.390 0.000 1.130 351 W HN -0.048 nan 8.180 nan 0.000 0.541 352 A N 1.238 123.608 122.820 -0.751 0.000 2.225 352 A HA 0.013 4.333 4.320 0.001 0.000 0.215 352 A C 2.161 179.583 177.584 -0.271 0.000 1.164 352 A CA 1.652 53.262 52.037 -0.712 0.000 0.710 352 A CB -0.754 17.591 19.000 -1.092 0.000 0.780 352 A HN 0.170 nan 8.150 nan 0.000 0.473 353 V N -0.967 118.829 119.914 -0.196 0.000 2.626 353 V HA -0.128 3.992 4.120 0.001 0.000 0.252 353 V C 2.285 178.322 176.094 -0.094 0.000 1.067 353 V CA 2.261 64.441 62.300 -0.200 0.000 1.081 353 V CB -0.282 31.318 31.823 -0.371 0.000 0.686 353 V HN 0.500 nan 8.190 nan 0.000 0.468 354 K N -0.567 119.838 120.400 0.009 0.000 2.360 354 K HA 0.228 4.549 4.320 0.001 0.000 0.196 354 K C 0.526 177.168 176.600 0.070 0.000 1.049 354 K CA 0.212 56.526 56.287 0.045 0.000 1.049 354 K CB 0.519 33.073 32.500 0.090 0.000 0.881 354 K HN 0.066 nan 8.250 nan 0.000 0.542 355 R N -0.080 120.486 120.500 0.109 0.000 2.687 355 R HA 0.207 4.547 4.340 0.001 0.000 0.264 355 R C -2.548 173.827 176.300 0.126 0.000 1.715 355 R CA -1.435 54.760 56.100 0.158 0.000 1.633 355 R CB 0.880 31.359 30.300 0.298 0.000 1.353 355 R HN -0.036 nan 8.270 nan 0.000 0.653 356 P HA -0.005 nan 4.420 nan 0.000 0.221 356 P C 0.215 177.542 177.300 0.045 0.000 1.150 356 P CA 1.074 64.170 63.100 -0.006 0.000 0.800 356 P CB 0.310 31.994 31.700 -0.027 0.000 0.787 357 N N -1.197 117.551 118.700 0.079 0.000 2.268 357 N HA 0.109 4.850 4.740 0.001 0.000 0.204 357 N C -0.217 175.381 175.510 0.147 0.000 1.124 357 N CA -0.353 52.752 53.050 0.090 0.000 0.838 357 N CB 0.022 38.547 38.487 0.063 0.000 0.994 357 N HN 0.048 nan 8.380 nan 0.000 0.489 358 L N 1.425 122.789 121.223 0.236 0.000 2.292 358 L HA 0.301 4.641 4.340 0.001 0.000 0.284 358 L C -0.454 176.681 176.870 0.443 0.000 1.065 358 L CA -0.596 54.444 54.840 0.333 0.000 0.806 358 L CB 0.645 42.953 42.059 0.415 0.000 1.175 358 L HN -0.144 nan 8.230 nan 0.000 0.431 359 K N 6.768 127.379 120.400 0.352 0.000 2.297 359 K HA 0.374 4.694 4.320 0.001 0.000 0.286 359 K C -2.367 174.474 176.600 0.402 0.000 1.053 359 K CA -1.767 54.715 56.287 0.325 0.000 0.940 359 K CB 0.644 33.262 32.500 0.196 0.000 1.019 359 K HN 0.479 nan 8.250 nan 0.000 0.475 360 P HA 0.044 nan 4.420 nan 0.000 0.268 360 P C 0.254 177.491 177.300 -0.106 0.000 1.205 360 P CA 0.048 63.255 63.100 0.178 0.000 0.771 360 P CB 0.644 32.507 31.700 0.271 0.000 0.858 361 G N 1.187 109.703 108.800 -0.473 0.000 4.636 361 G HA2 0.269 4.229 3.960 0.001 0.000 0.212 361 G HA3 0.269 4.229 3.960 0.001 0.000 0.212 361 G C 0.299 174.842 174.900 -0.595 0.000 0.829 361 G CA 0.177 45.052 45.100 -0.376 0.000 0.833 361 G HN 0.766 nan 8.290 nan 0.000 0.510 362 G N -0.269 107.865 108.800 -1.110 0.000 2.535 362 G HA2 0.630 4.591 3.960 0.001 0.000 0.282 362 G HA3 0.630 4.591 3.960 0.001 0.000 0.282 362 G C -0.963 173.491 174.900 -0.744 0.000 1.350 362 G CA -0.728 43.768 45.100 -1.007 0.000 1.039 362 G HN 0.108 nan 8.290 nan 0.000 0.509 363 F N -1.143 118.638 119.950 -0.282 0.000 2.588 363 F HA 0.640 5.168 4.527 0.001 0.000 0.310 363 F C 0.586 176.368 175.800 -0.030 0.000 1.082 363 F CA -0.598 57.330 58.000 -0.120 0.000 0.929 363 F CB 2.181 41.163 39.000 -0.030 0.000 1.254 363 F HN 0.669 nan 8.300 nan 0.000 0.455 364 A N 1.601 124.533 122.820 0.186 0.000 2.247 364 A HA 0.540 4.861 4.320 0.001 0.000 0.313 364 A C 0.093 177.848 177.584 0.284 0.000 1.109 364 A CA -0.192 51.975 52.037 0.217 0.000 0.890 364 A CB 0.277 19.366 19.000 0.148 0.000 1.239 364 A HN 0.798 nan 8.150 nan 0.000 0.506 365 F N -0.141 119.867 119.950 0.096 0.000 2.179 365 F HA 0.025 4.553 4.527 0.001 0.000 0.292 365 F C 1.776 177.558 175.800 -0.030 0.000 1.089 365 F CA 1.396 59.431 58.000 0.058 0.000 1.295 365 F CB -0.165 38.863 39.000 0.045 0.000 1.041 365 F HN 0.624 nan 8.300 nan 0.000 0.487 366 Q N -0.362 119.446 119.800 0.014 0.000 2.225 366 Q HA 0.052 4.393 4.340 0.001 0.000 0.177 366 Q C 1.071 176.894 176.000 -0.296 0.000 1.073 366 Q CA -0.200 55.443 55.803 -0.268 0.000 1.134 366 Q CB -0.800 27.908 28.738 -0.050 0.000 1.210 366 Q HN 0.222 nan 8.270 nan 0.000 0.599 367 F N 0.245 120.053 119.950 -0.237 0.000 2.094 367 F HA -0.012 4.515 4.527 0.001 0.000 0.291 367 F C 1.004 176.685 175.800 -0.199 0.000 1.109 367 F CA 1.306 59.157 58.000 -0.249 0.000 1.221 367 F CB 0.087 38.896 39.000 -0.318 0.000 1.014 367 F HN 0.434 nan 8.300 nan 0.000 0.473 368 D N -0.186 120.241 120.400 0.045 0.000 2.404 368 D HA 0.159 4.799 4.640 0.001 0.000 0.267 368 D C -1.415 174.836 176.300 -0.080 0.000 1.194 368 D CA -0.092 53.874 54.000 -0.058 0.000 0.910 368 D CB -0.224 40.523 40.800 -0.088 0.000 1.090 368 D HN -0.017 nan 8.370 nan 0.000 0.511 369 N N 3.054 121.709 118.700 -0.075 0.000 2.675 369 N HA 0.060 4.800 4.740 0.001 0.000 0.254 369 N C 0.800 176.246 175.510 -0.108 0.000 1.224 369 N CA -0.457 52.564 53.050 -0.049 0.000 0.777 369 N CB 1.028 39.570 38.487 0.092 0.000 1.256 369 N HN 0.056 nan 8.380 nan 0.000 0.531 370 V N 0.706 120.427 119.914 -0.321 0.000 2.667 370 V HA 0.030 4.150 4.120 0.001 0.000 0.252 370 V C 1.026 176.882 176.094 -0.398 0.000 1.065 370 V CA 1.172 63.214 62.300 -0.430 0.000 1.083 370 V CB -1.008 30.445 31.823 -0.617 0.000 0.692 370 V HN 0.378 nan 8.190 nan 0.000 0.468 371 Y N -0.488 119.712 120.300 -0.166 0.000 2.511 371 Y HA 0.323 4.874 4.550 0.001 0.000 0.279 371 Y C 0.729 176.257 175.900 -0.620 0.000 1.157 371 Y CA -0.553 57.294 58.100 -0.423 0.000 1.300 371 Y CB -0.463 37.613 38.460 -0.640 0.000 1.052 371 Y HN 0.390 nan 8.280 nan 0.000 0.529 372 Y N 0.884 121.334 120.300 0.250 0.000 2.473 372 Y HA 0.356 4.906 4.550 0.001 0.000 0.345 372 Y C -2.454 173.637 175.900 0.318 0.000 0.932 372 Y CA -3.505 54.759 58.100 0.272 0.000 1.124 372 Y CB -0.022 38.489 38.460 0.085 0.000 1.162 372 Y HN -0.092 nan 8.280 nan 0.000 0.629 373 P HA 0.103 nan 4.420 nan 0.000 0.272 373 P C -0.621 176.921 177.300 0.403 0.000 1.230 373 P CA -0.009 63.188 63.100 0.161 0.000 0.788 373 P CB 1.730 33.240 31.700 -0.316 0.000 0.949 374 D N -1.022 119.554 120.400 0.294 0.000 2.433 374 D HA 0.247 4.888 4.640 0.001 0.000 0.236 374 D C 0.843 177.257 176.300 0.189 0.000 1.026 374 D CA -1.015 53.082 54.000 0.162 0.000 0.884 374 D CB 0.952 41.610 40.800 -0.237 0.000 1.384 374 D HN -0.055 nan 8.370 nan 0.000 0.477 375 V N 0.691 120.680 119.914 0.125 0.000 2.343 375 V HA -0.268 3.852 4.120 0.001 0.000 0.247 375 V C 2.341 178.439 176.094 0.007 0.000 1.051 375 V CA 1.361 63.723 62.300 0.103 0.000 1.036 375 V CB -0.521 31.294 31.823 -0.012 0.000 0.654 375 V HN 0.899 nan 8.190 nan 0.000 0.451 376 C N -0.034 119.210 119.300 -0.093 0.000 2.388 376 C HA -0.219 4.242 4.460 0.001 0.000 0.277 376 C C 2.653 177.717 174.990 0.123 0.000 1.210 376 C CA 1.510 60.495 59.018 -0.055 0.000 1.743 376 C CB -1.049 26.484 27.740 -0.345 0.000 2.047 376 C HN 0.619 nan 8.230 nan 0.000 0.458 377 D N -0.403 120.059 120.400 0.105 0.000 2.084 377 D HA -0.107 4.534 4.640 0.001 0.000 0.194 377 D C 2.175 178.596 176.300 0.203 0.000 0.990 377 D CA 1.891 56.066 54.000 0.292 0.000 0.826 377 D CB -0.569 40.404 40.800 0.290 0.000 0.971 377 D HN 0.484 nan 8.370 nan 0.000 0.453 378 T N 1.191 115.880 114.554 0.225 0.000 2.665 378 T HA -0.173 4.178 4.350 0.001 0.000 0.268 378 T C 2.039 176.835 174.700 0.160 0.000 1.035 378 T CA 1.707 63.977 62.100 0.282 0.000 1.151 378 T CB -0.324 68.776 68.868 0.387 0.000 0.862 378 T HN 0.195 nan 8.240 nan 0.000 0.438 379 A N 0.889 123.769 122.820 0.100 0.000 1.877 379 A HA -0.055 4.265 4.320 0.001 0.000 0.216 379 A C 2.630 180.290 177.584 0.127 0.000 1.186 379 A CA 1.509 53.560 52.037 0.025 0.000 0.620 379 A CB -1.057 17.874 19.000 -0.115 0.000 0.822 379 A HN 0.354 nan 8.150 nan 0.000 0.443 380 V N -0.458 119.533 119.914 0.128 0.000 2.295 380 V HA -0.225 3.896 4.120 0.001 0.000 0.246 380 V C 2.593 178.650 176.094 -0.063 0.000 1.049 380 V CA 1.940 64.265 62.300 0.043 0.000 1.024 380 V CB -0.784 30.982 31.823 -0.095 0.000 0.648 380 V HN 0.368 nan 8.190 nan 0.000 0.447 381 V N -0.138 119.700 119.914 -0.127 0.000 2.255 381 V HA -0.259 3.862 4.120 0.001 0.000 0.247 381 V C 2.436 178.426 176.094 -0.174 0.000 1.051 381 V CA 2.193 64.306 62.300 -0.310 0.000 1.018 381 V CB -0.533 30.790 31.823 -0.833 0.000 0.641 381 V HN 0.409 nan 8.190 nan 0.000 0.445 382 V N -0.913 118.991 119.914 -0.016 0.000 2.287 382 V HA -0.281 3.839 4.120 0.001 0.000 0.248 382 V C 2.083 178.358 176.094 0.303 0.000 1.053 382 V CA 2.339 64.772 62.300 0.221 0.000 1.027 382 V CB -0.839 31.207 31.823 0.370 0.000 0.646 382 V HN 0.819 nan 8.190 nan 0.000 0.447 383 W N 1.510 122.816 121.300 0.009 0.000 2.333 383 W HA -0.224 4.436 4.660 0.001 0.000 0.316 383 W C 2.519 178.955 176.519 -0.139 0.000 1.215 383 W CA 2.048 59.321 57.345 -0.119 0.000 1.278 383 W CB -0.990 28.385 29.460 -0.141 0.000 1.154 383 W HN 0.227 nan 8.180 nan 0.000 0.486 384 A N 0.541 123.289 122.820 -0.119 0.000 1.940 384 A HA -0.177 4.144 4.320 0.001 0.000 0.219 384 A C 2.353 179.886 177.584 -0.085 0.000 1.176 384 A CA 1.894 53.770 52.037 -0.268 0.000 0.631 384 A CB -1.061 17.750 19.000 -0.315 0.000 0.814 384 A HN 0.394 nan 8.150 nan 0.000 0.446 385 L N -0.544 120.681 121.223 0.004 0.000 2.056 385 L HA -0.192 4.148 4.340 0.001 0.000 0.207 385 L C 2.484 179.413 176.870 0.099 0.000 1.078 385 L CA 1.518 56.398 54.840 0.067 0.000 0.749 385 L CB -0.563 41.567 42.059 0.119 0.000 0.901 385 L HN 0.480 nan 8.230 nan 0.000 0.433 386 N N -0.100 118.672 118.700 0.121 0.000 2.334 386 N HA -0.200 4.540 4.740 0.001 0.000 0.187 386 N C 1.688 177.221 175.510 0.038 0.000 1.016 386 N CA 1.856 54.949 53.050 0.071 0.000 0.879 386 N CB -0.053 38.281 38.487 -0.255 0.000 0.965 386 N HN 0.431 nan 8.380 nan 0.000 0.438 387 T N -2.855 111.717 114.554 0.030 0.000 3.081 387 T HA 0.185 4.536 4.350 0.001 0.000 0.255 387 T C 0.917 175.630 174.700 0.022 0.000 1.113 387 T CA -0.095 62.016 62.100 0.018 0.000 1.082 387 T CB -0.075 68.780 68.868 -0.021 0.000 0.939 387 T HN 0.010 nan 8.240 nan 0.000 0.506 388 L N 0.591 121.834 121.223 0.034 0.000 2.431 388 L HA 0.687 5.027 4.340 0.001 0.000 0.260 388 L C 0.380 177.287 176.870 0.061 0.000 1.098 388 L CA -1.354 53.513 54.840 0.046 0.000 0.800 388 L CB 0.788 42.877 42.059 0.050 0.000 1.210 388 L HN -0.051 nan 8.230 nan 0.000 0.465 389 R N 1.270 121.807 120.500 0.062 0.000 2.487 389 R HA 0.499 4.840 4.340 0.001 0.000 0.288 389 R C -1.457 174.880 176.300 0.062 0.000 1.394 389 R CA -0.101 56.035 56.100 0.061 0.000 1.155 389 R CB 0.183 30.515 30.300 0.053 0.000 1.156 389 R HN 0.449 nan 8.270 nan 0.000 0.553 390 L N 4.871 126.134 121.223 0.066 0.000 2.375 390 L HA 0.566 4.907 4.340 0.001 0.000 0.268 390 L C -1.236 175.667 176.870 0.056 0.000 1.058 390 L CA -2.278 52.601 54.840 0.065 0.000 0.803 390 L CB 1.042 43.146 42.059 0.075 0.000 1.212 390 L HN 0.383 nan 8.230 nan 0.000 0.451 391 P HA -0.173 nan 4.420 nan 0.000 0.211 391 P C -0.283 177.041 177.300 0.041 0.000 1.181 391 P CA 1.257 64.381 63.100 0.041 0.000 0.929 391 P CB 0.004 31.727 31.700 0.038 0.000 0.789 392 D N -0.079 120.347 120.400 0.043 0.000 2.524 392 D HA 0.009 4.650 4.640 0.001 0.000 0.222 392 D C 0.021 176.351 176.300 0.050 0.000 1.142 392 D CA -0.258 53.767 54.000 0.042 0.000 0.973 392 D CB 0.335 41.157 40.800 0.036 0.000 1.025 392 D HN 0.198 nan 8.370 nan 0.000 0.519 393 E N 0.777 121.008 120.200 0.052 0.000 2.526 393 E HA -0.143 4.207 4.350 0.001 0.000 0.198 393 E C 1.607 178.242 176.600 0.058 0.000 1.091 393 E CA 0.173 56.610 56.400 0.062 0.000 0.880 393 E CB -0.121 29.616 29.700 0.062 0.000 0.873 393 E HN 0.254 nan 8.360 nan 0.000 0.527 394 R N 1.536 122.065 120.500 0.047 0.000 2.062 394 R HA 0.072 4.412 4.340 0.001 0.000 0.229 394 R C 2.083 178.411 176.300 0.047 0.000 1.128 394 R CA 1.695 57.819 56.100 0.040 0.000 0.960 394 R CB -0.308 30.010 30.300 0.031 0.000 0.855 394 R HN 0.235 nan 8.270 nan 0.000 0.432 395 R N -0.259 120.271 120.500 0.050 0.000 2.153 395 R HA 0.068 4.408 4.340 0.001 0.000 0.218 395 R C 2.344 178.693 176.300 0.081 0.000 1.072 395 R CA 1.004 57.138 56.100 0.056 0.000 0.990 395 R CB -0.103 30.227 30.300 0.049 0.000 0.889 395 R HN 0.180 nan 8.270 nan 0.000 0.452 396 R N -0.062 120.492 120.500 0.089 0.000 2.073 396 R HA -0.109 4.232 4.340 0.001 0.000 0.229 396 R C 2.132 178.511 176.300 0.132 0.000 1.120 396 R CA 1.298 57.468 56.100 0.117 0.000 0.967 396 R CB -0.035 30.332 30.300 0.112 0.000 0.862 396 R HN -0.042 nan 8.270 nan 0.000 0.436 397 R N 0.916 121.478 120.500 0.104 0.000 2.075 397 R HA -0.120 4.221 4.340 0.001 0.000 0.232 397 R C 1.619 177.969 176.300 0.083 0.000 1.126 397 R CA 2.180 58.337 56.100 0.094 0.000 0.963 397 R CB -0.722 29.616 30.300 0.063 0.000 0.858 397 R HN 0.242 nan 8.270 nan 0.000 0.435 398 D N -0.583 119.861 120.400 0.072 0.000 2.084 398 D HA -0.094 4.547 4.640 0.001 0.000 0.194 398 D C 1.687 178.040 176.300 0.088 0.000 0.990 398 D CA 1.958 55.995 54.000 0.062 0.000 0.826 398 D CB -0.248 40.580 40.800 0.048 0.000 0.971 398 D HN 0.321 nan 8.370 nan 0.000 0.453 399 A N 0.065 122.954 122.820 0.116 0.000 1.908 399 A HA -0.205 4.115 4.320 0.001 0.000 0.218 399 A C 2.330 180.049 177.584 0.226 0.000 1.181 399 A CA 1.762 53.897 52.037 0.164 0.000 0.627 399 A CB -0.637 18.488 19.000 0.209 0.000 0.818 399 A HN 0.296 nan 8.150 nan 0.000 0.445 400 M N -0.179 119.559 119.600 0.230 0.000 2.086 400 M HA -0.149 4.332 4.480 0.001 0.000 0.261 400 M C 2.408 178.831 176.300 0.205 0.000 1.067 400 M CA 2.129 57.598 55.300 0.281 0.000 1.116 400 M CB -1.006 31.792 32.600 0.330 0.000 1.348 400 M HN 0.686 nan 8.290 nan 0.000 0.407 401 T N -0.746 113.867 114.554 0.098 0.000 2.746 401 T HA -0.138 4.212 4.350 0.001 0.000 0.267 401 T C 1.712 176.489 174.700 0.128 0.000 1.039 401 T CA 1.208 63.326 62.100 0.030 0.000 1.142 401 T CB -0.396 68.457 68.868 -0.025 0.000 0.866 401 T HN 0.382 nan 8.240 nan 0.000 0.444 402 K N 1.157 121.640 120.400 0.139 0.000 2.026 402 K HA 0.040 4.361 4.320 0.001 0.000 0.208 402 K C 2.793 179.532 176.600 0.232 0.000 1.048 402 K CA 1.242 57.618 56.287 0.149 0.000 0.929 402 K CB -0.718 31.830 32.500 0.080 0.000 0.713 402 K HN 0.472 nan 8.250 nan 0.000 0.439 403 G N 1.194 110.159 108.800 0.274 0.000 2.433 403 G HA2 -0.276 3.684 3.960 0.001 0.000 0.216 403 G HA3 -0.276 3.684 3.960 0.001 0.000 0.216 403 G C 1.339 176.494 174.900 0.425 0.000 1.186 403 G CA 0.510 45.829 45.100 0.364 0.000 0.779 403 G HN 0.175 nan 8.290 nan 0.000 0.543 404 F N 1.855 121.941 119.950 0.227 0.000 2.043 404 F HA -0.134 4.394 4.527 0.001 0.000 0.297 404 F C 2.945 178.871 175.800 0.210 0.000 1.118 404 F CA 1.970 60.095 58.000 0.209 0.000 1.202 404 F CB -0.295 38.693 39.000 -0.020 0.000 0.965 404 F HN 0.006 nan 8.300 nan 0.000 0.482 405 R N -1.520 119.285 120.500 0.508 0.000 2.105 405 R HA -0.247 4.093 4.340 0.001 0.000 0.239 405 R C 2.132 178.616 176.300 0.308 0.000 1.135 405 R CA 1.739 58.054 56.100 0.358 0.000 0.967 405 R CB -1.069 29.364 30.300 0.222 0.000 0.861 405 R HN 0.514 nan 8.270 nan 0.000 0.442 406 W N 1.512 122.892 121.300 0.133 0.000 2.381 406 W HA -0.077 4.584 4.660 0.001 0.000 0.301 406 W C 1.714 178.275 176.519 0.071 0.000 1.205 406 W CA 1.157 58.517 57.345 0.025 0.000 1.285 406 W CB -0.230 29.179 29.460 -0.086 0.000 1.133 406 W HN -0.088 nan 8.180 nan 0.000 0.521 407 I N -0.183 120.512 120.570 0.207 0.000 2.163 407 I HA -0.351 3.819 4.170 0.001 0.000 0.243 407 I C 2.156 178.431 176.117 0.262 0.000 1.085 407 I CA 1.520 62.874 61.300 0.090 0.000 1.347 407 I CB -1.113 36.927 38.000 0.067 0.000 1.044 407 I HN -0.195 nan 8.210 nan 0.000 0.408 408 V N 1.076 121.175 119.914 0.308 0.000 2.287 408 V HA -0.243 3.877 4.120 0.001 0.000 0.248 408 V C 2.486 178.658 176.094 0.129 0.000 1.053 408 V CA 2.234 64.716 62.300 0.303 0.000 1.027 408 V CB -1.480 30.515 31.823 0.287 0.000 0.646 408 V HN 0.601 nan 8.190 nan 0.000 0.447 409 G N -1.279 107.542 108.800 0.034 0.000 2.679 409 G HA2 -0.129 3.831 3.960 0.001 0.000 0.212 409 G HA3 -0.129 3.831 3.960 0.001 0.000 0.212 409 G C 1.303 176.099 174.900 -0.173 0.000 1.137 409 G CA 0.256 45.322 45.100 -0.057 0.000 0.787 409 G HN 0.340 nan 8.290 nan 0.000 0.534 410 M N -0.020 119.448 119.600 -0.220 0.000 2.502 410 M HA 0.190 4.671 4.480 0.001 0.000 0.243 410 M C 1.130 177.278 176.300 -0.254 0.000 1.130 410 M CA -0.156 54.978 55.300 -0.277 0.000 1.055 410 M CB -0.381 31.915 32.600 -0.507 0.000 1.457 410 M HN 0.307 nan 8.290 nan 0.000 0.488 411 Q N 1.177 120.737 119.800 -0.401 0.000 2.315 411 Q HA 0.040 4.381 4.340 0.001 0.000 0.289 411 Q C -0.449 175.138 176.000 -0.688 0.000 1.044 411 Q CA 0.365 55.481 55.803 -1.144 0.000 0.920 411 Q CB 0.841 28.965 28.738 -1.023 0.000 1.214 411 Q HN 0.165 nan 8.270 nan 0.000 0.392 412 S N 1.507 116.776 115.700 -0.718 0.000 2.707 412 S HA 0.150 4.620 4.470 0.001 0.000 0.276 412 S C 0.999 175.383 174.600 -0.361 0.000 1.179 412 S CA -0.647 57.306 58.200 -0.411 0.000 0.992 412 S CB 1.539 64.546 63.200 -0.322 0.000 1.030 412 S HN 0.771 nan 8.310 nan 0.000 0.554 413 S N 2.469 118.029 115.700 -0.234 0.000 2.359 413 S HA -0.174 4.297 4.470 0.001 0.000 0.224 413 S C 1.749 176.239 174.600 -0.184 0.000 1.035 413 S CA 1.848 59.941 58.200 -0.179 0.000 1.018 413 S CB -0.631 62.502 63.200 -0.112 0.000 0.876 413 S HN 0.834 nan 8.310 nan 0.000 0.448 414 N N 1.069 119.652 118.700 -0.196 0.000 2.573 414 N HA 0.091 4.831 4.740 0.001 0.000 0.187 414 N C 1.096 176.477 175.510 -0.214 0.000 1.107 414 N CA 1.198 54.156 53.050 -0.153 0.000 0.918 414 N CB -0.637 37.796 38.487 -0.089 0.000 0.966 414 N HN 0.489 nan 8.380 nan 0.000 0.448 415 G N -2.332 106.248 108.800 -0.368 0.000 2.238 415 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 415 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 415 G C 0.371 174.916 174.900 -0.592 0.000 0.996 415 G CA 0.014 44.880 45.100 -0.391 0.000 0.632 415 G HN 0.810 nan 8.290 nan 0.000 0.503 416 G N -1.513 106.764 108.800 -0.871 0.000 2.583 416 G HA2 0.547 4.507 3.960 0.001 0.000 0.280 416 G HA3 0.547 4.507 3.960 0.001 0.000 0.280 416 G C -0.522 174.057 174.900 -0.534 0.000 1.376 416 G CA -0.596 44.041 45.100 -0.771 0.000 1.043 416 G HN 0.284 nan 8.290 nan 0.000 0.538 417 W N -1.079 120.058 121.300 -0.271 0.000 2.936 417 W HA 0.537 5.197 4.660 0.001 0.000 0.338 417 W C 0.194 176.678 176.519 -0.059 0.000 1.121 417 W CA -0.756 56.496 57.345 -0.154 0.000 1.209 417 W CB 2.096 31.475 29.460 -0.135 0.000 1.420 417 W HN 0.816 nan 8.180 nan 0.000 0.516 418 G N 0.206 109.128 108.800 0.204 0.000 2.557 418 G HA2 0.501 4.462 3.960 0.001 0.000 0.302 418 G HA3 0.501 4.462 3.960 0.001 0.000 0.302 418 G C 0.408 175.419 174.900 0.186 0.000 1.311 418 G CA 0.171 45.399 45.100 0.214 0.000 1.030 418 G HN 0.507 nan 8.290 nan 0.000 0.509 419 A N -1.294 121.623 122.820 0.162 0.000 1.861 419 A HA 0.214 4.535 4.320 0.001 0.000 0.212 419 A C 1.838 179.274 177.584 -0.246 0.000 1.199 419 A CA 1.282 53.212 52.037 -0.178 0.000 0.613 419 A CB -0.378 18.367 19.000 -0.425 0.000 0.846 419 A HN 0.609 nan 8.150 nan 0.000 0.446 420 Y N -0.643 119.836 120.300 0.298 0.000 2.607 420 Y HA 0.257 4.808 4.550 0.001 0.000 0.276 420 Y C 0.434 176.538 175.900 0.339 0.000 1.117 420 Y CA -0.539 57.768 58.100 0.346 0.000 1.273 420 Y CB 0.400 39.097 38.460 0.394 0.000 1.282 420 Y HN 0.143 nan 8.280 nan 0.000 0.514 421 D N -0.540 120.107 120.400 0.413 0.000 2.467 421 D HA 0.465 5.105 4.640 0.001 0.000 0.245 421 D C -0.925 175.479 176.300 0.175 0.000 1.038 421 D CA -0.398 53.789 54.000 0.312 0.000 1.038 421 D CB 3.026 44.001 40.800 0.291 0.000 1.278 421 D HN -0.319 nan 8.370 nan 0.000 0.564 422 V N 1.283 121.274 119.914 0.128 0.000 2.427 422 V HA 0.109 4.230 4.120 0.001 0.000 0.286 422 V C -0.275 175.835 176.094 0.027 0.000 1.034 422 V CA -0.558 61.759 62.300 0.028 0.000 0.893 422 V CB 1.283 33.106 31.823 0.001 0.000 0.982 422 V HN 0.569 nan 8.190 nan 0.000 0.452 423 D N 2.959 123.348 120.400 -0.019 0.000 2.692 423 D HA -0.210 4.430 4.640 0.001 0.000 0.233 423 D C 0.603 176.915 176.300 0.019 0.000 1.172 423 D CA 0.752 54.743 54.000 -0.016 0.000 0.636 423 D CB -0.737 40.045 40.800 -0.030 0.000 1.028 423 D HN 0.751 nan 8.370 nan 0.000 0.419 424 N N 0.635 119.361 118.700 0.045 0.000 3.303 424 N HA 0.019 4.759 4.740 0.001 0.000 0.304 424 N C 1.013 176.535 175.510 0.020 0.000 1.302 424 N CA 0.472 53.551 53.050 0.048 0.000 1.213 424 N CB 0.258 38.793 38.487 0.079 0.000 1.481 424 N HN 0.275 nan 8.380 nan 0.000 0.546 425 T N -3.118 111.437 114.554 0.001 0.000 3.022 425 T HA 0.031 4.381 4.350 0.001 0.000 0.250 425 T C 0.901 175.579 174.700 -0.036 0.000 1.060 425 T CA -0.274 61.820 62.100 -0.010 0.000 1.013 425 T CB 0.080 68.945 68.868 -0.006 0.000 0.982 425 T HN 0.122 nan 8.240 nan 0.000 0.508 426 S N 2.182 117.854 115.700 -0.047 0.000 2.931 426 S HA -0.090 4.381 4.470 0.001 0.000 0.342 426 S C 0.943 175.474 174.600 -0.114 0.000 1.220 426 S CA 0.127 58.285 58.200 -0.070 0.000 1.045 426 S CB -0.172 62.978 63.200 -0.083 0.000 0.758 426 S HN 0.506 nan 8.310 nan 0.000 0.508 427 D N 3.995 124.344 120.400 -0.085 0.000 2.323 427 D HA -0.010 4.631 4.640 0.001 0.000 0.209 427 D C 1.745 177.916 176.300 -0.214 0.000 0.973 427 D CA 0.266 54.191 54.000 -0.126 0.000 0.874 427 D CB -0.018 40.769 40.800 -0.022 0.000 0.930 427 D HN 0.488 nan 8.370 nan 0.000 0.521 428 L N 1.521 122.672 121.223 -0.120 0.000 1.971 428 L HA -0.129 4.212 4.340 0.001 0.000 0.215 428 L C -0.534 176.177 176.870 -0.266 0.000 1.072 428 L CA 2.087 56.883 54.840 -0.072 0.000 0.758 428 L CB -2.180 39.864 42.059 -0.025 0.000 0.889 428 L HN 0.215 nan 8.230 nan 0.000 0.433 429 P HA -0.172 nan 4.420 nan 0.000 0.218 429 P C 0.966 177.999 177.300 -0.445 0.000 1.148 429 P CA 1.216 63.993 63.100 -0.537 0.000 0.822 429 P CB -0.316 30.816 31.700 -0.946 0.000 0.784 430 N N -0.658 117.738 118.700 -0.507 0.000 2.609 430 N HA -0.117 4.624 4.740 0.001 0.000 0.190 430 N C 1.080 176.287 175.510 -0.505 0.000 1.157 430 N CA 0.815 53.579 53.050 -0.478 0.000 0.918 430 N CB -0.355 37.845 38.487 -0.477 0.000 0.978 430 N HN 0.449 nan 8.380 nan 0.000 0.448 431 H N -0.354 118.511 119.070 -0.342 0.000 2.705 431 H HA 0.279 4.835 4.556 0.001 0.000 0.269 431 H C 0.750 175.628 175.328 -0.749 0.000 0.998 431 H CA -0.323 55.432 56.048 -0.489 0.000 1.193 431 H CB 1.006 30.453 29.762 -0.526 0.000 1.485 431 H HN 0.105 nan 8.280 nan 0.000 0.521 432 I N 2.779 123.027 120.570 -0.537 0.000 2.692 432 I HA -0.007 4.164 4.170 0.001 0.000 0.284 432 I C -1.109 174.936 176.117 -0.119 0.000 1.159 432 I CA -1.437 59.639 61.300 -0.375 0.000 1.423 432 I CB 0.832 38.745 38.000 -0.144 0.000 1.380 432 I HN -0.139 nan 8.210 nan 0.000 0.580 433 P HA -0.223 nan 4.420 nan 0.000 0.217 433 P C 1.460 178.801 177.300 0.067 0.000 1.148 433 P CA 1.391 64.527 63.100 0.060 0.000 0.828 433 P CB 0.079 31.859 31.700 0.133 0.000 0.783 434 F N -0.189 119.730 119.950 -0.053 0.000 2.206 434 F HA -0.053 4.475 4.527 0.001 0.000 0.298 434 F C 0.759 176.472 175.800 -0.146 0.000 1.090 434 F CA 0.766 58.709 58.000 -0.095 0.000 1.323 434 F CB -0.353 38.599 39.000 -0.080 0.000 1.028 434 F HN -0.230 nan 8.300 nan 0.000 0.492 435 C N 3.273 122.555 119.300 -0.031 0.000 2.756 435 C HA 0.141 4.602 4.460 0.001 0.000 0.504 435 C C 0.853 175.763 174.990 -0.134 0.000 1.028 435 C CA -0.109 58.847 59.018 -0.103 0.000 1.167 435 C CB -2.203 25.541 27.740 0.007 0.000 1.444 435 C HN 0.514 nan 8.230 nan 0.000 0.577 436 D N -0.632 119.654 120.400 -0.190 0.000 2.395 436 D HA 0.076 4.717 4.640 0.001 0.000 0.213 436 D C -0.134 176.179 176.300 0.021 0.000 1.110 436 D CA -0.205 53.745 54.000 -0.083 0.000 0.835 436 D CB 0.005 40.757 40.800 -0.080 0.000 0.965 436 D HN 0.400 nan 8.370 nan 0.000 0.505 437 F N 1.221 121.067 119.950 -0.173 0.000 2.539 437 F HA 0.513 5.041 4.527 0.001 0.000 0.328 437 F C 0.827 176.553 175.800 -0.123 0.000 1.148 437 F CA 0.363 58.324 58.000 -0.065 0.000 0.940 437 F CB 1.381 40.401 39.000 0.033 0.000 1.194 437 F HN 0.202 nan 8.300 nan 0.000 0.438 438 G N 4.597 113.007 108.800 -0.651 0.000 2.641 438 G HA2 -0.203 3.758 3.960 0.001 0.000 0.254 438 G HA3 -0.203 3.758 3.960 0.001 0.000 0.254 438 G C -0.673 173.865 174.900 -0.604 0.000 1.315 438 G CA -0.503 44.128 45.100 -0.781 0.000 0.907 438 G HN 0.700 nan 8.290 nan 0.000 0.572 439 E N -0.584 119.123 120.200 -0.821 0.000 2.354 439 E HA 0.389 4.739 4.350 0.001 0.000 0.269 439 E C 1.083 177.714 176.600 0.052 0.000 1.036 439 E CA 0.008 56.254 56.400 -0.257 0.000 0.876 439 E CB 1.575 31.268 29.700 -0.011 0.000 1.009 439 E HN 0.474 nan 8.360 nan 0.000 0.416 440 V N 1.112 121.097 119.914 0.119 0.000 3.612 440 V HA 0.005 4.125 4.120 0.001 0.000 0.268 440 V C 0.652 176.744 176.094 -0.002 0.000 1.365 440 V CA 0.771 63.147 62.300 0.126 0.000 1.044 440 V CB 0.721 32.547 31.823 0.006 0.000 0.820 440 V HN 0.726 nan 8.190 nan 0.000 0.444 441 T N -2.752 111.824 114.554 0.037 0.000 2.940 441 T HA 0.575 4.926 4.350 0.001 0.000 0.288 441 T C -0.951 173.827 174.700 0.130 0.000 1.045 441 T CA -0.470 61.611 62.100 -0.032 0.000 1.018 441 T CB 2.579 71.410 68.868 -0.062 0.000 1.151 441 T HN -0.003 nan 8.240 nan 0.000 0.529 442 D N 2.258 122.711 120.400 0.089 0.000 2.517 442 D HA 0.376 5.016 4.640 0.001 0.000 0.301 442 D C -2.393 174.043 176.300 0.228 0.000 1.202 442 D CA -2.063 52.109 54.000 0.286 0.000 0.910 442 D CB 0.642 41.579 40.800 0.230 0.000 1.021 442 D HN 0.312 nan 8.370 nan 0.000 0.499 443 P HA 0.378 nan 4.420 nan 0.000 0.278 443 P C -2.670 174.730 177.300 0.167 0.000 1.266 443 P CA -1.557 61.623 63.100 0.133 0.000 0.807 443 P CB 0.494 32.255 31.700 0.101 0.000 1.094 444 P HA 0.099 nan 4.420 nan 0.000 0.270 444 P C -0.244 177.187 177.300 0.218 0.000 1.223 444 P CA 0.422 63.574 63.100 0.086 0.000 0.785 444 P CB 0.255 31.856 31.700 -0.165 0.000 0.923 445 S N -0.679 115.188 115.700 0.278 0.000 2.564 445 S HA 0.352 4.823 4.470 0.001 0.000 0.274 445 S C 0.630 175.436 174.600 0.343 0.000 1.124 445 S CA -0.669 57.735 58.200 0.341 0.000 0.869 445 S CB 1.575 64.962 63.200 0.312 0.000 1.105 445 S HN 0.216 nan 8.310 nan 0.000 0.472 446 E N 1.650 122.021 120.200 0.285 0.000 2.070 446 E HA -0.187 4.163 4.350 0.001 0.000 0.197 446 E C 1.538 178.100 176.600 -0.063 0.000 1.004 446 E CA 2.184 58.654 56.400 0.116 0.000 0.805 446 E CB -0.240 29.484 29.700 0.040 0.000 0.744 446 E HN 0.819 nan 8.360 nan 0.000 0.451 447 D N 0.653 121.002 120.400 -0.085 0.000 2.097 447 D HA -0.138 4.502 4.640 0.001 0.000 0.197 447 D C 2.058 178.116 176.300 -0.403 0.000 0.984 447 D CA 1.134 54.935 54.000 -0.332 0.000 0.826 447 D CB -0.751 39.923 40.800 -0.210 0.000 0.973 447 D HN 0.146 nan 8.370 nan 0.000 0.460 448 V N 1.421 121.311 119.914 -0.039 0.000 2.287 448 V HA -0.262 3.858 4.120 0.001 0.000 0.248 448 V C 2.770 178.798 176.094 -0.109 0.000 1.053 448 V CA 2.389 64.688 62.300 -0.002 0.000 1.027 448 V CB -1.157 30.739 31.823 0.122 0.000 0.646 448 V HN 0.291 nan 8.190 nan 0.000 0.447 449 T N 0.429 114.978 114.554 -0.008 0.000 2.720 449 T HA -0.175 4.176 4.350 0.001 0.000 0.268 449 T C 2.066 176.654 174.700 -0.186 0.000 1.037 449 T CA 1.655 63.771 62.100 0.028 0.000 1.144 449 T CB -0.477 68.553 68.868 0.271 0.000 0.864 449 T HN 0.592 nan 8.240 nan 0.000 0.444 450 A N 1.084 123.743 122.820 -0.268 0.000 1.933 450 A HA -0.164 4.157 4.320 0.001 0.000 0.218 450 A C 1.915 179.320 177.584 -0.298 0.000 1.175 450 A CA 1.680 53.510 52.037 -0.345 0.000 0.628 450 A CB -0.891 17.824 19.000 -0.475 0.000 0.814 450 A HN 0.717 nan 8.150 nan 0.000 0.444 451 H N -1.472 117.462 119.070 -0.228 0.000 2.428 451 H HA -0.026 4.531 4.556 0.001 0.000 0.296 451 H C 2.047 177.154 175.328 -0.368 0.000 1.062 451 H CA 0.844 56.782 56.048 -0.184 0.000 1.350 451 H CB 0.126 29.863 29.762 -0.042 0.000 1.403 451 H HN 0.312 nan 8.280 nan 0.000 0.533 452 V N 0.614 120.243 119.914 -0.475 0.000 2.307 452 V HA -0.208 3.912 4.120 0.001 0.000 0.245 452 V C 2.207 177.654 176.094 -1.079 0.000 1.045 452 V CA 1.098 62.805 62.300 -0.988 0.000 1.024 452 V CB -0.360 30.511 31.823 -1.587 0.000 0.651 452 V HN 0.273 nan 8.190 nan 0.000 0.449 453 L N 0.070 120.887 121.223 -0.677 0.000 2.042 453 L HA -0.178 4.163 4.340 0.001 0.000 0.210 453 L C 2.423 179.074 176.870 -0.365 0.000 1.076 453 L CA 1.961 56.562 54.840 -0.399 0.000 0.749 453 L CB -0.994 40.941 42.059 -0.208 0.000 0.893 453 L HN 0.446 nan 8.230 nan 0.000 0.432 454 E N -2.035 117.898 120.200 -0.444 0.000 2.208 454 E HA -0.208 4.143 4.350 0.001 0.000 0.193 454 E C 2.430 178.468 176.600 -0.938 0.000 0.988 454 E CA 0.883 56.914 56.400 -0.614 0.000 0.828 454 E CB -0.038 29.288 29.700 -0.623 0.000 0.763 454 E HN 0.589 nan 8.360 nan 0.000 0.478 455 C N -0.044 118.804 119.300 -0.753 0.000 2.462 455 C HA -0.113 4.348 4.460 0.001 0.000 0.278 455 C C 2.255 177.122 174.990 -0.205 0.000 1.253 455 C CA 0.523 59.196 59.018 -0.576 0.000 1.713 455 C CB -1.237 26.274 27.740 -0.382 0.000 2.049 455 C HN 0.469 nan 8.230 nan 0.000 0.477 456 F N 1.942 121.808 119.950 -0.140 0.000 2.171 456 F HA 0.092 4.619 4.527 0.001 0.000 0.300 456 F C 2.615 178.540 175.800 0.208 0.000 1.090 456 F CA 1.196 59.267 58.000 0.119 0.000 1.293 456 F CB -1.747 37.291 39.000 0.064 0.000 1.013 456 F HN 0.375 nan 8.300 nan 0.000 0.486 457 G N -0.109 108.766 108.800 0.126 0.000 2.476 457 G HA2 -0.324 3.637 3.960 0.001 0.000 0.218 457 G HA3 -0.324 3.637 3.960 0.001 0.000 0.218 457 G C 1.842 176.725 174.900 -0.029 0.000 1.164 457 G CA 1.600 46.716 45.100 0.027 0.000 0.768 457 G HN 0.461 nan 8.290 nan 0.000 0.560 458 S N 0.145 115.687 115.700 -0.264 0.000 2.419 458 S HA -0.023 4.447 4.470 0.001 0.000 0.235 458 S C 1.813 176.328 174.600 -0.142 0.000 1.019 458 S CA 0.919 58.947 58.200 -0.286 0.000 0.982 458 S CB -0.473 62.400 63.200 -0.545 0.000 0.789 458 S HN 0.155 nan 8.310 nan 0.000 0.490 459 F N 2.385 122.452 119.950 0.196 0.000 2.769 459 F HA 0.395 4.923 4.527 0.001 0.000 0.304 459 F C 2.044 177.967 175.800 0.205 0.000 1.158 459 F CA -0.275 57.912 58.000 0.311 0.000 1.398 459 F CB -0.438 38.936 39.000 0.622 0.000 1.094 459 F HN 0.419 nan 8.300 nan 0.000 0.553 460 G N -1.193 107.754 108.800 0.245 0.000 2.205 460 G HA2 -0.350 3.611 3.960 0.001 0.000 0.261 460 G HA3 -0.350 3.611 3.960 0.001 0.000 0.261 460 G C 0.320 175.246 174.900 0.043 0.000 0.980 460 G CA -0.132 45.014 45.100 0.077 0.000 0.632 460 G HN 0.316 nan 8.290 nan 0.000 0.533 461 Y N 2.290 122.710 120.300 0.200 0.000 2.426 461 Y HA 0.454 5.004 4.550 0.001 0.000 0.344 461 Y C 1.106 177.138 175.900 0.220 0.000 1.256 461 Y CA 0.456 58.678 58.100 0.203 0.000 1.451 461 Y CB 0.654 39.306 38.460 0.319 0.000 1.342 461 Y HN 0.489 nan 8.280 nan 0.000 0.600 462 D N -1.404 119.223 120.400 0.378 0.000 2.958 462 D HA 0.110 4.751 4.640 0.001 0.000 0.306 462 D C 0.221 176.690 176.300 0.282 0.000 1.226 462 D CA -0.511 53.651 54.000 0.270 0.000 1.032 462 D CB -0.106 40.788 40.800 0.157 0.000 1.400 462 D HN 0.365 nan 8.370 nan 0.000 0.587 463 D N -0.889 119.625 120.400 0.190 0.000 2.265 463 D HA -0.055 4.586 4.640 0.001 0.000 0.208 463 D C 1.797 178.199 176.300 0.170 0.000 0.977 463 D CA 1.635 55.732 54.000 0.161 0.000 0.871 463 D CB -0.242 40.629 40.800 0.118 0.000 0.925 463 D HN 0.442 nan 8.370 nan 0.000 0.485 464 A N -0.303 122.628 122.820 0.186 0.000 1.969 464 A HA -0.075 4.246 4.320 0.001 0.000 0.218 464 A C 0.906 178.649 177.584 0.265 0.000 1.169 464 A CA 0.277 52.421 52.037 0.178 0.000 0.635 464 A CB -0.720 18.363 19.000 0.138 0.000 0.810 464 A HN 0.412 nan 8.150 nan 0.000 0.445 465 W N 1.944 123.305 121.300 0.101 0.000 2.303 465 W HA 0.292 4.953 4.660 0.001 0.000 0.318 465 W C 0.840 177.403 176.519 0.074 0.000 1.362 465 W CA -1.068 56.337 57.345 0.100 0.000 1.234 465 W CB 0.558 30.106 29.460 0.147 0.000 1.248 465 W HN 0.212 nan 8.180 nan 0.000 0.546 466 K N 3.029 123.534 120.400 0.174 0.000 2.074 466 K HA -0.190 4.131 4.320 0.001 0.000 0.209 466 K C 1.712 178.148 176.600 -0.273 0.000 1.048 466 K CA 1.874 58.136 56.287 -0.042 0.000 0.926 466 K CB -0.412 32.097 32.500 0.016 0.000 0.713 466 K HN 0.400 nan 8.250 nan 0.000 0.444 467 V N 2.009 121.490 119.914 -0.721 0.000 2.255 467 V HA -0.284 3.837 4.120 0.001 0.000 0.247 467 V C 2.258 178.110 176.094 -0.403 0.000 1.051 467 V CA 1.829 63.687 62.300 -0.737 0.000 1.018 467 V CB -0.432 30.541 31.823 -1.416 0.000 0.641 467 V HN 0.285 nan 8.190 nan 0.000 0.445 468 I N -0.404 119.938 120.570 -0.379 0.000 2.179 468 I HA -0.276 3.895 4.170 0.001 0.000 0.242 468 I C 2.769 178.900 176.117 0.025 0.000 1.088 468 I CA 1.953 63.240 61.300 -0.022 0.000 1.357 468 I CB -0.494 37.589 38.000 0.139 0.000 1.051 468 I HN 0.263 nan 8.210 nan 0.000 0.409 469 R N 1.479 121.983 120.500 0.007 0.000 2.096 469 R HA -0.205 4.136 4.340 0.001 0.000 0.240 469 R C 2.481 178.791 176.300 0.017 0.000 1.139 469 R CA 1.723 57.842 56.100 0.031 0.000 0.952 469 R CB -0.189 30.130 30.300 0.032 0.000 0.854 469 R HN 0.296 nan 8.270 nan 0.000 0.436 470 R N -0.062 120.420 120.500 -0.030 0.000 2.105 470 R HA -0.123 4.217 4.340 0.001 0.000 0.239 470 R C 2.369 178.677 176.300 0.012 0.000 1.135 470 R CA 1.416 57.493 56.100 -0.038 0.000 0.967 470 R CB -0.418 29.811 30.300 -0.117 0.000 0.861 470 R HN 0.313 nan 8.270 nan 0.000 0.442 471 A N 0.883 123.723 122.820 0.032 0.000 1.873 471 A HA -0.086 4.234 4.320 0.001 0.000 0.215 471 A C 2.413 180.108 177.584 0.186 0.000 1.186 471 A CA 1.273 53.397 52.037 0.144 0.000 0.616 471 A CB -0.483 18.672 19.000 0.257 0.000 0.823 471 A HN 0.105 nan 8.150 nan 0.000 0.442 472 V N 0.437 120.423 119.914 0.121 0.000 2.343 472 V HA -0.224 3.896 4.120 0.001 0.000 0.247 472 V C 2.548 178.702 176.094 0.101 0.000 1.051 472 V CA 2.080 64.444 62.300 0.106 0.000 1.036 472 V CB -0.805 31.077 31.823 0.098 0.000 0.654 472 V HN 0.497 nan 8.190 nan 0.000 0.451 473 E N -0.314 119.937 120.200 0.084 0.000 2.070 473 E HA -0.271 4.080 4.350 0.001 0.000 0.197 473 E C 2.058 178.709 176.600 0.085 0.000 1.004 473 E CA 1.953 58.389 56.400 0.059 0.000 0.805 473 E CB -0.559 29.168 29.700 0.045 0.000 0.744 473 E HN 0.778 nan 8.360 nan 0.000 0.451 474 Y N 1.490 121.797 120.300 0.013 0.000 2.128 474 Y HA -0.214 4.337 4.550 0.001 0.000 0.284 474 Y C 2.251 178.197 175.900 0.077 0.000 1.154 474 Y CA 1.574 59.688 58.100 0.024 0.000 1.149 474 Y CB -0.535 37.926 38.460 0.002 0.000 0.976 474 Y HN -0.053 nan 8.280 nan 0.000 0.505 475 L N 0.153 121.318 121.223 -0.096 0.000 2.046 475 L HA -0.238 4.103 4.340 0.001 0.000 0.208 475 L C 2.511 179.500 176.870 0.198 0.000 1.077 475 L CA 1.743 56.530 54.840 -0.089 0.000 0.747 475 L CB -0.585 41.418 42.059 -0.093 0.000 0.896 475 L HN 0.167 nan 8.230 nan 0.000 0.432 476 K N 0.013 120.505 120.400 0.155 0.000 2.147 476 K HA -0.156 4.164 4.320 0.001 0.000 0.205 476 K C 2.180 178.793 176.600 0.023 0.000 1.049 476 K CA 1.231 57.592 56.287 0.123 0.000 0.936 476 K CB -0.096 32.355 32.500 -0.083 0.000 0.722 476 K HN 0.357 nan 8.250 nan 0.000 0.446 477 R N 0.437 120.919 120.500 -0.030 0.000 2.153 477 R HA -0.017 4.323 4.340 0.001 0.000 0.218 477 R C 1.612 177.862 176.300 -0.083 0.000 1.072 477 R CA 0.587 56.649 56.100 -0.063 0.000 0.990 477 R CB 0.106 30.375 30.300 -0.051 0.000 0.889 477 R HN 0.123 nan 8.270 nan 0.000 0.452 478 E N 1.091 121.234 120.200 -0.095 0.000 2.442 478 E HA -0.053 4.298 4.350 0.001 0.000 0.195 478 E C 0.320 176.894 176.600 -0.043 0.000 1.030 478 E CA 0.138 56.491 56.400 -0.078 0.000 0.869 478 E CB 0.146 29.732 29.700 -0.190 0.000 0.857 478 E HN 0.316 nan 8.360 nan 0.000 0.505 479 Q N 1.811 121.549 119.800 -0.102 0.000 2.263 479 Q HA -0.040 4.301 4.340 0.001 0.000 0.289 479 Q C -0.468 175.250 176.000 -0.470 0.000 1.061 479 Q CA 0.144 55.544 55.803 -0.671 0.000 0.927 479 Q CB 0.505 28.802 28.738 -0.734 0.000 1.154 479 Q HN -0.328 nan 8.270 nan 0.000 0.378 480 K N 5.320 125.409 120.400 -0.517 0.000 2.355 480 K HA 0.070 4.391 4.320 0.001 0.000 0.270 480 K C -1.843 174.564 176.600 -0.321 0.000 1.003 480 K CA -1.509 54.578 56.287 -0.334 0.000 0.957 480 K CB 0.498 32.814 32.500 -0.306 0.000 0.939 480 K HN 0.446 nan 8.250 nan 0.000 0.482 481 P HA -0.233 nan 4.420 nan 0.000 0.218 481 P C 0.140 177.349 177.300 -0.151 0.000 1.154 481 P CA 1.559 64.567 63.100 -0.154 0.000 0.872 481 P CB 0.097 31.733 31.700 -0.106 0.000 0.790 482 D N -2.338 117.954 120.400 -0.180 0.000 2.363 482 D HA 0.007 4.648 4.640 0.001 0.000 0.226 482 D C 1.256 177.427 176.300 -0.216 0.000 1.020 482 D CA 0.969 54.898 54.000 -0.117 0.000 0.892 482 D CB -0.591 40.190 40.800 -0.031 0.000 0.900 482 D HN 0.280 nan 8.370 nan 0.000 0.531 483 G N 0.891 109.473 108.800 -0.363 0.000 2.141 483 G HA2 -0.275 3.686 3.960 0.001 0.000 0.231 483 G HA3 -0.275 3.686 3.960 0.001 0.000 0.231 483 G C 0.329 174.792 174.900 -0.728 0.000 0.984 483 G CA 0.374 45.204 45.100 -0.451 0.000 0.660 483 G HN 0.719 nan 8.290 nan 0.000 0.525 484 S N -0.940 114.216 115.700 -0.907 0.000 2.730 484 S HA 0.828 5.299 4.470 0.001 0.000 0.284 484 S C -0.387 173.838 174.600 -0.624 0.000 1.153 484 S CA -0.845 56.785 58.200 -0.950 0.000 0.995 484 S CB 1.900 64.211 63.200 -1.481 0.000 1.058 484 S HN 0.528 nan 8.310 nan 0.000 0.552 485 W N 0.937 122.128 121.300 -0.181 0.000 2.715 485 W HA 0.386 5.047 4.660 0.001 0.000 0.331 485 W C -0.868 175.640 176.519 -0.018 0.000 1.031 485 W CA -1.718 55.592 57.345 -0.057 0.000 1.237 485 W CB 1.513 30.899 29.460 -0.123 0.000 1.378 485 W HN 0.767 nan 8.180 nan 0.000 0.454 486 F N 2.549 122.545 119.950 0.076 0.000 2.607 486 F HA 0.356 4.884 4.527 0.001 0.000 0.374 486 F C 0.891 176.591 175.800 -0.168 0.000 1.104 486 F CA 0.819 58.670 58.000 -0.250 0.000 1.296 486 F CB 0.674 39.617 39.000 -0.095 0.000 1.085 486 F HN 0.296 nan 8.300 nan 0.000 0.584 487 G N 5.928 114.125 108.800 -1.006 0.000 2.404 487 G HA2 0.302 4.263 3.960 0.001 0.000 0.316 487 G HA3 0.302 4.263 3.960 0.001 0.000 0.316 487 G C 0.388 174.870 174.900 -0.696 0.000 1.074 487 G CA -0.643 44.143 45.100 -0.524 0.000 0.989 487 G HN 0.794 nan 8.290 nan 0.000 0.430 488 R N 2.327 122.637 120.500 -0.316 0.000 2.075 488 R HA 0.069 4.410 4.340 0.001 0.000 0.226 488 R C 1.101 177.070 176.300 -0.552 0.000 1.114 488 R CA 1.262 57.162 56.100 -0.333 0.000 0.972 488 R CB -0.202 29.994 30.300 -0.172 0.000 0.869 488 R HN 0.661 nan 8.270 nan 0.000 0.437 489 W N -0.814 120.489 121.300 0.005 0.000 3.058 489 W HA 0.492 5.152 4.660 0.001 0.000 0.306 489 W C 0.508 176.878 176.519 -0.248 0.000 1.188 489 W CA 0.136 57.437 57.345 -0.073 0.000 1.651 489 W CB 0.532 29.973 29.460 -0.032 0.000 1.051 489 W HN 0.152 nan 8.180 nan 0.000 0.592 490 G N -0.090 108.459 108.800 -0.419 0.000 2.519 490 G HA2 0.424 4.385 3.960 0.001 0.000 0.307 490 G HA3 0.424 4.385 3.960 0.001 0.000 0.307 490 G C -1.057 173.632 174.900 -0.352 0.000 1.266 490 G CA -0.795 43.713 45.100 -0.987 0.000 0.970 490 G HN -0.268 nan 8.290 nan 0.000 0.481 491 V N 3.538 123.469 119.914 0.029 0.000 2.450 491 V HA -0.029 4.092 4.120 0.001 0.000 0.264 491 V C 1.081 177.253 176.094 0.129 0.000 0.996 491 V CA -0.069 62.359 62.300 0.214 0.000 1.138 491 V CB -1.534 30.454 31.823 0.275 0.000 1.051 491 V HN 0.883 nan 8.190 nan 0.000 0.470 492 N N 3.481 122.117 118.700 -0.106 0.000 1.352 492 N HA -0.308 4.433 4.740 0.001 0.000 0.096 492 N C 0.846 176.156 175.510 -0.334 0.000 0.792 492 N CA 1.934 54.694 53.050 -0.484 0.000 0.831 492 N CB -0.599 37.440 38.487 -0.747 0.000 0.865 492 N HN 0.521 nan 8.380 nan 0.000 0.716 493 Y N 0.377 120.627 120.300 -0.083 0.000 2.172 493 Y HA -0.177 4.373 4.550 0.001 0.000 0.280 493 Y C 2.460 178.381 175.900 0.035 0.000 1.209 493 Y CA 1.606 59.661 58.100 -0.075 0.000 1.171 493 Y CB -0.408 37.959 38.460 -0.155 0.000 0.965 493 Y HN 0.361 nan 8.280 nan 0.000 0.520 494 L N -2.080 119.329 121.223 0.310 0.000 2.093 494 L HA -0.225 4.116 4.340 0.001 0.000 0.208 494 L C 2.310 179.280 176.870 0.166 0.000 1.085 494 L CA 1.236 56.255 54.840 0.298 0.000 0.755 494 L CB -0.558 41.701 42.059 0.333 0.000 0.904 494 L HN 0.254 nan 8.230 nan 0.000 0.435 495 Y N 0.695 120.945 120.300 -0.083 0.000 2.109 495 Y HA -0.150 4.401 4.550 0.001 0.000 0.285 495 Y C 2.336 177.971 175.900 -0.442 0.000 1.131 495 Y CA 1.546 59.308 58.100 -0.562 0.000 1.121 495 Y CB -0.880 37.185 38.460 -0.658 0.000 0.987 495 Y HN 0.045 nan 8.280 nan 0.000 0.495 496 G N -1.083 107.528 108.800 -0.315 0.000 2.459 496 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 496 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 496 G C 1.648 176.410 174.900 -0.230 0.000 1.183 496 G CA 1.693 46.598 45.100 -0.325 0.000 0.776 496 G HN 0.443 nan 8.290 nan 0.000 0.552 497 T N 0.995 115.527 114.554 -0.037 0.000 2.746 497 T HA -0.050 4.301 4.350 0.001 0.000 0.267 497 T C 2.468 177.129 174.700 -0.065 0.000 1.039 497 T CA 1.492 63.642 62.100 0.084 0.000 1.142 497 T CB -0.587 68.344 68.868 0.107 0.000 0.866 497 T HN 0.371 nan 8.240 nan 0.000 0.444 498 G N 1.183 109.895 108.800 -0.147 0.000 2.421 498 G HA2 -0.051 3.909 3.960 0.001 0.000 0.216 498 G HA3 -0.051 3.909 3.960 0.001 0.000 0.216 498 G C 1.854 176.586 174.900 -0.280 0.000 1.171 498 G CA 0.900 45.888 45.100 -0.186 0.000 0.775 498 G HN 0.581 nan 8.290 nan 0.000 0.543 499 A N 0.028 122.570 122.820 -0.464 0.000 1.877 499 A HA 0.070 4.391 4.320 0.001 0.000 0.216 499 A C 2.631 179.977 177.584 -0.398 0.000 1.186 499 A CA 1.928 53.685 52.037 -0.467 0.000 0.620 499 A CB -0.712 17.841 19.000 -0.744 0.000 0.822 499 A HN 0.262 nan 8.150 nan 0.000 0.443 500 V N -0.351 119.279 119.914 -0.473 0.000 2.261 500 V HA -0.242 3.878 4.120 0.001 0.000 0.246 500 V C 2.602 178.426 176.094 -0.449 0.000 1.047 500 V CA 2.063 64.001 62.300 -0.603 0.000 1.015 500 V CB -0.890 30.245 31.823 -1.146 0.000 0.642 500 V HN 0.371 nan 8.190 nan 0.000 0.446 501 V N 1.173 120.900 119.914 -0.310 0.000 2.287 501 V HA -0.263 3.858 4.120 0.001 0.000 0.248 501 V C 2.699 178.704 176.094 -0.148 0.000 1.053 501 V CA 2.463 64.657 62.300 -0.177 0.000 1.027 501 V CB -1.027 30.756 31.823 -0.066 0.000 0.646 501 V HN 0.772 nan 8.190 nan 0.000 0.447 502 S N 0.705 116.322 115.700 -0.137 0.000 2.423 502 S HA -0.088 4.383 4.470 0.001 0.000 0.231 502 S C 2.006 176.534 174.600 -0.120 0.000 1.014 502 S CA 1.197 59.340 58.200 -0.095 0.000 0.965 502 S CB -0.411 62.757 63.200 -0.053 0.000 0.785 502 S HN 0.582 nan 8.310 nan 0.000 0.495 503 A N 2.549 125.264 122.820 -0.175 0.000 1.840 503 A HA 0.207 4.528 4.320 0.001 0.000 0.214 503 A C 2.296 179.790 177.584 -0.150 0.000 1.198 503 A CA 1.258 53.179 52.037 -0.193 0.000 0.608 503 A CB -0.977 17.878 19.000 -0.242 0.000 0.839 503 A HN 0.496 nan 8.150 nan 0.000 0.443 504 L N -0.418 120.712 121.223 -0.155 0.000 2.081 504 L HA -0.243 4.098 4.340 0.001 0.000 0.212 504 L C 2.708 179.542 176.870 -0.060 0.000 1.080 504 L CA 1.788 56.569 54.840 -0.099 0.000 0.754 504 L CB -0.537 41.448 42.059 -0.124 0.000 0.893 504 L HN 0.376 nan 8.230 nan 0.000 0.433 505 K N 0.765 121.123 120.400 -0.071 0.000 2.025 505 K HA -0.134 4.186 4.320 0.001 0.000 0.207 505 K C 2.082 178.660 176.600 -0.036 0.000 1.049 505 K CA 1.613 57.873 56.287 -0.044 0.000 0.933 505 K CB -0.176 32.298 32.500 -0.043 0.000 0.714 505 K HN 0.258 nan 8.250 nan 0.000 0.438 506 A N 0.910 123.693 122.820 -0.062 0.000 2.019 506 A HA -0.110 4.211 4.320 0.001 0.000 0.219 506 A C 1.921 179.488 177.584 -0.029 0.000 1.164 506 A CA 1.756 53.750 52.037 -0.071 0.000 0.644 506 A CB -0.475 18.430 19.000 -0.157 0.000 0.805 506 A HN 0.232 nan 8.150 nan 0.000 0.449 507 V N -4.156 115.755 119.914 -0.005 0.000 3.577 507 V HA 0.557 4.678 4.120 0.001 0.000 0.294 507 V C 1.282 177.421 176.094 0.075 0.000 1.317 507 V CA 0.656 62.994 62.300 0.063 0.000 1.169 507 V CB -0.838 31.036 31.823 0.085 0.000 1.011 507 V HN 1.352 nan 8.190 nan 0.000 0.426 508 G N 0.423 109.250 108.800 0.046 0.000 2.217 508 G HA2 -0.216 3.745 3.960 0.001 0.000 0.246 508 G HA3 -0.216 3.745 3.960 0.001 0.000 0.246 508 G C 0.028 174.956 174.900 0.047 0.000 0.990 508 G CA 0.038 45.168 45.100 0.049 0.000 0.627 508 G HN 0.446 nan 8.290 nan 0.000 0.522 509 I N 1.584 122.182 120.570 0.048 0.000 2.948 509 I HA 0.157 4.328 4.170 0.001 0.000 0.290 509 I C 0.564 176.703 176.117 0.036 0.000 1.226 509 I CA -0.391 60.943 61.300 0.056 0.000 1.413 509 I CB 0.272 38.309 38.000 0.063 0.000 1.352 509 I HN 0.108 nan 8.210 nan 0.000 0.597 510 D N 3.184 123.613 120.400 0.048 0.000 2.336 510 D HA 0.078 4.719 4.640 0.001 0.000 0.249 510 D C 1.334 177.637 176.300 0.006 0.000 1.213 510 D CA -0.081 53.939 54.000 0.033 0.000 0.870 510 D CB 0.811 41.640 40.800 0.049 0.000 1.076 510 D HN 0.646 nan 8.370 nan 0.000 0.483 511 T N 1.205 115.752 114.554 -0.010 0.000 3.025 511 T HA -0.194 4.157 4.350 0.001 0.000 0.270 511 T C 1.776 176.461 174.700 -0.025 0.000 1.126 511 T CA 0.708 62.788 62.100 -0.034 0.000 1.105 511 T CB -0.010 68.845 68.868 -0.022 0.000 0.884 511 T HN 0.315 nan 8.240 nan 0.000 0.522 512 R N 1.009 121.510 120.500 0.001 0.000 2.189 512 R HA 0.046 4.386 4.340 0.001 0.000 0.218 512 R C 0.593 176.909 176.300 0.028 0.000 1.074 512 R CA 0.301 56.411 56.100 0.016 0.000 0.991 512 R CB -0.090 30.226 30.300 0.027 0.000 0.883 512 R HN 0.437 nan 8.270 nan 0.000 0.457 513 E N 0.574 120.795 120.200 0.034 0.000 2.537 513 E HA -0.127 4.224 4.350 0.001 0.000 0.269 513 E C -1.865 174.788 176.600 0.088 0.000 1.038 513 E CA -0.626 55.833 56.400 0.099 0.000 0.977 513 E CB 0.261 30.056 29.700 0.159 0.000 0.973 513 E HN 0.138 nan 8.360 nan 0.000 0.456 514 P HA -0.173 nan 4.420 nan 0.000 0.214 514 P C 1.398 178.797 177.300 0.165 0.000 1.162 514 P CA 1.551 64.739 63.100 0.145 0.000 0.879 514 P CB -0.189 31.597 31.700 0.143 0.000 0.786 515 Y N -0.951 119.366 120.300 0.027 0.000 2.274 515 Y HA -0.091 4.459 4.550 0.001 0.000 0.290 515 Y C 1.913 177.844 175.900 0.052 0.000 1.145 515 Y CA 0.656 58.764 58.100 0.013 0.000 1.203 515 Y CB -2.023 36.449 38.460 0.019 0.000 0.984 515 Y HN -0.068 nan 8.280 nan 0.000 0.533 516 I N 0.181 120.477 120.570 -0.457 0.000 2.286 516 I HA -0.209 3.961 4.170 0.001 0.000 0.245 516 I C 2.441 178.509 176.117 -0.081 0.000 1.104 516 I CA 1.045 62.159 61.300 -0.311 0.000 1.397 516 I CB -0.425 37.349 38.000 -0.377 0.000 1.072 516 I HN 0.225 nan 8.210 nan 0.000 0.417 517 Q N 0.928 120.700 119.800 -0.045 0.000 2.084 517 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 517 Q C 2.140 178.166 176.000 0.044 0.000 0.978 517 Q CA 1.430 57.242 55.803 0.014 0.000 0.844 517 Q CB -0.377 28.377 28.738 0.026 0.000 0.898 517 Q HN 0.454 nan 8.270 nan 0.000 0.426 518 K N 0.202 120.625 120.400 0.038 0.000 2.103 518 K HA -0.137 4.184 4.320 0.001 0.000 0.207 518 K C 1.927 178.570 176.600 0.072 0.000 1.048 518 K CA 1.242 57.559 56.287 0.050 0.000 0.930 518 K CB 0.007 32.521 32.500 0.024 0.000 0.716 518 K HN 0.146 nan 8.250 nan 0.000 0.444 519 A N 0.785 123.626 122.820 0.036 0.000 1.872 519 A HA -0.091 4.230 4.320 0.001 0.000 0.214 519 A C 1.947 179.645 177.584 0.190 0.000 1.187 519 A CA 0.796 52.874 52.037 0.068 0.000 0.614 519 A CB -0.482 18.560 19.000 0.071 0.000 0.826 519 A HN 0.251 nan 8.150 nan 0.000 0.442 520 L N 0.495 121.796 121.223 0.130 0.000 2.042 520 L HA -0.204 4.136 4.340 0.001 0.000 0.210 520 L C 1.863 178.833 176.870 0.166 0.000 1.076 520 L CA 2.075 56.991 54.840 0.127 0.000 0.749 520 L CB -0.898 41.206 42.059 0.075 0.000 0.893 520 L HN 0.367 nan 8.230 nan 0.000 0.432 521 D N -1.978 118.519 120.400 0.161 0.000 2.097 521 D HA -0.267 4.374 4.640 0.001 0.000 0.195 521 D C 1.921 178.354 176.300 0.223 0.000 0.989 521 D CA 1.184 55.280 54.000 0.160 0.000 0.827 521 D CB -0.379 40.499 40.800 0.129 0.000 0.966 521 D HN 0.469 nan 8.370 nan 0.000 0.456 522 W N 1.600 122.951 121.300 0.085 0.000 2.321 522 W HA -0.258 4.402 4.660 0.001 0.000 0.306 522 W C 2.173 178.821 176.519 0.216 0.000 1.217 522 W CA 1.439 58.861 57.345 0.127 0.000 1.257 522 W CB -0.327 29.146 29.460 0.021 0.000 1.145 522 W HN -0.224 nan 8.180 nan 0.000 0.509 523 V N 0.746 120.891 119.914 0.384 0.000 2.295 523 V HA -0.331 3.789 4.120 0.001 0.000 0.246 523 V C 2.141 178.456 176.094 0.368 0.000 1.049 523 V CA 2.440 64.894 62.300 0.257 0.000 1.024 523 V CB -0.949 30.962 31.823 0.147 0.000 0.648 523 V HN 0.215 nan 8.190 nan 0.000 0.447 524 E N -0.235 120.141 120.200 0.294 0.000 2.110 524 E HA -0.270 4.081 4.350 0.001 0.000 0.193 524 E C 2.146 178.816 176.600 0.117 0.000 0.988 524 E CA 1.221 57.782 56.400 0.268 0.000 0.804 524 E CB -0.151 29.651 29.700 0.169 0.000 0.745 524 E HN 0.691 nan 8.360 nan 0.000 0.458 525 Q N -0.496 119.329 119.800 0.042 0.000 2.482 525 Q HA -0.066 4.274 4.340 0.001 0.000 0.209 525 Q C 0.512 176.290 176.000 -0.370 0.000 0.961 525 Q CA 0.626 56.341 55.803 -0.148 0.000 0.945 525 Q CB 0.177 28.804 28.738 -0.185 0.000 1.012 525 Q HN 0.362 nan 8.270 nan 0.000 0.515 526 H N -1.149 117.790 119.070 -0.219 0.000 2.784 526 H HA 0.152 4.709 4.556 0.001 0.000 0.273 526 H C -0.383 174.781 175.328 -0.273 0.000 1.112 526 H CA -0.330 55.576 56.048 -0.237 0.000 1.162 526 H CB 0.491 30.042 29.762 -0.352 0.000 1.586 526 H HN 0.102 nan 8.280 nan 0.000 0.548 527 Q N 1.813 121.378 119.800 -0.392 0.000 2.289 527 Q HA 0.023 4.363 4.340 0.001 0.000 0.273 527 Q C -0.379 175.239 176.000 -0.637 0.000 1.029 527 Q CA -0.373 54.766 55.803 -1.107 0.000 0.896 527 Q CB 0.505 28.625 28.738 -1.030 0.000 1.182 527 Q HN 0.315 nan 8.270 nan 0.000 0.385 528 N N 5.019 123.359 118.700 -0.599 0.000 2.467 528 N HA 0.079 4.820 4.740 0.001 0.000 0.262 528 N C -1.731 173.612 175.510 -0.278 0.000 1.234 528 N CA -1.446 51.405 53.050 -0.332 0.000 0.952 528 N CB 0.419 38.762 38.487 -0.240 0.000 1.158 528 N HN 0.513 nan 8.380 nan 0.000 0.463 529 P HA -0.194 nan 4.420 nan 0.000 0.216 529 P C 0.254 177.503 177.300 -0.085 0.000 1.150 529 P CA 1.520 64.548 63.100 -0.119 0.000 0.843 529 P CB 0.116 31.769 31.700 -0.079 0.000 0.787 530 D N -1.498 118.873 120.400 -0.048 0.000 2.378 530 D HA 0.015 4.655 4.640 0.001 0.000 0.222 530 D C 1.600 177.946 176.300 0.077 0.000 0.980 530 D CA 1.258 55.288 54.000 0.052 0.000 0.907 530 D CB -0.933 39.965 40.800 0.163 0.000 0.899 530 D HN 0.358 nan 8.370 nan 0.000 0.527 531 G N -1.231 107.506 108.800 -0.106 0.000 2.254 531 G HA2 -0.150 3.811 3.960 0.001 0.000 0.225 531 G HA3 -0.150 3.811 3.960 0.001 0.000 0.225 531 G C 0.642 175.323 174.900 -0.364 0.000 1.003 531 G CA 0.031 45.030 45.100 -0.168 0.000 0.622 531 G HN 0.825 nan 8.290 nan 0.000 0.507 532 G N -1.500 106.997 108.800 -0.505 0.000 2.568 532 G HA2 0.541 4.501 3.960 0.001 0.000 0.293 532 G HA3 0.541 4.501 3.960 0.001 0.000 0.293 532 G C -0.350 174.205 174.900 -0.575 0.000 1.347 532 G CA -0.571 44.057 45.100 -0.786 0.000 1.039 532 G HN 0.263 nan 8.290 nan 0.000 0.523 533 W N -1.422 119.636 121.300 -0.403 0.000 2.864 533 W HA 0.614 5.274 4.660 0.001 0.000 0.343 533 W C -0.010 176.393 176.519 -0.193 0.000 1.109 533 W CA -0.648 56.568 57.345 -0.214 0.000 1.192 533 W CB 2.465 31.852 29.460 -0.122 0.000 1.426 533 W HN 0.833 nan 8.180 nan 0.000 0.529 534 G N 1.125 110.006 108.800 0.134 0.000 2.718 534 G HA2 0.501 4.462 3.960 0.001 0.000 0.295 534 G HA3 0.501 4.462 3.960 0.001 0.000 0.295 534 G C -2.116 172.840 174.900 0.093 0.000 1.421 534 G CA -0.560 44.571 45.100 0.052 0.000 0.902 534 G HN 0.333 nan 8.290 nan 0.000 0.501 535 E N 0.716 120.954 120.200 0.065 0.000 2.334 535 E HA 0.308 4.658 4.350 0.001 0.000 0.280 535 E C -1.547 175.052 176.600 -0.002 0.000 0.899 535 E CA -0.611 55.845 56.400 0.093 0.000 0.813 535 E CB 1.998 31.802 29.700 0.173 0.000 1.318 535 E HN 0.477 nan 8.360 nan 0.000 0.399 536 D N 2.200 122.563 120.400 -0.061 0.000 2.339 536 D HA 0.090 4.730 4.640 0.001 0.000 0.245 536 D C 0.576 176.733 176.300 -0.239 0.000 1.115 536 D CA -0.365 53.514 54.000 -0.201 0.000 0.917 536 D CB 0.951 41.564 40.800 -0.313 0.000 1.192 536 D HN 0.498 nan 8.370 nan 0.000 0.428 537 C N 1.954 120.985 119.300 -0.450 0.000 2.430 537 C HA -0.001 4.460 4.460 0.001 0.000 0.288 537 C C 2.267 176.999 174.990 -0.430 0.000 1.448 537 C CA 0.190 58.789 59.018 -0.699 0.000 1.784 537 C CB -1.236 25.312 27.740 -1.986 0.000 1.776 537 C HN 0.650 nan 8.230 nan 0.000 0.547 538 R N 1.407 121.704 120.500 -0.338 0.000 2.285 538 R HA -0.090 4.251 4.340 0.001 0.000 0.213 538 R C 2.133 178.463 176.300 0.050 0.000 1.068 538 R CA 1.297 57.306 56.100 -0.151 0.000 1.004 538 R CB -0.082 29.926 30.300 -0.487 0.000 0.873 538 R HN 0.710 nan 8.270 nan 0.000 0.467 539 S N -0.964 114.757 115.700 0.036 0.000 2.595 539 S HA -0.115 4.356 4.470 0.001 0.000 0.235 539 S C 1.113 175.744 174.600 0.052 0.000 0.974 539 S CA 0.606 58.876 58.200 0.115 0.000 0.942 539 S CB -0.174 63.088 63.200 0.103 0.000 0.766 539 S HN 0.349 nan 8.310 nan 0.000 0.536 540 Y N 1.295 121.715 120.300 0.200 0.000 2.476 540 Y HA 0.278 4.829 4.550 0.001 0.000 0.283 540 Y C 2.561 178.594 175.900 0.222 0.000 1.109 540 Y CA 0.461 58.709 58.100 0.246 0.000 1.246 540 Y CB 0.132 38.740 38.460 0.247 0.000 1.068 540 Y HN 0.231 nan 8.280 nan 0.000 0.552 541 E N -0.128 120.269 120.200 0.328 0.000 2.065 541 E HA -0.050 4.301 4.350 0.001 0.000 0.191 541 E C -0.033 176.699 176.600 0.220 0.000 0.960 541 E CA 0.681 57.233 56.400 0.253 0.000 0.824 541 E CB -0.241 29.600 29.700 0.235 0.000 0.793 541 E HN 0.171 nan 8.360 nan 0.000 0.459 542 D N 2.060 122.607 120.400 0.246 0.000 2.412 542 D HA 0.082 4.723 4.640 0.001 0.000 0.224 542 D C -1.802 174.639 176.300 0.235 0.000 1.093 542 D CA -2.430 51.715 54.000 0.242 0.000 0.850 542 D CB 1.446 42.438 40.800 0.321 0.000 1.046 542 D HN -0.179 nan 8.370 nan 0.000 0.507 543 P HA -0.079 nan 4.420 nan 0.000 0.236 543 P C 0.741 178.095 177.300 0.091 0.000 1.172 543 P CA 0.382 63.558 63.100 0.126 0.000 0.759 543 P CB 0.305 32.053 31.700 0.080 0.000 0.843 544 A N -1.090 121.776 122.820 0.077 0.000 2.021 544 A HA -0.082 4.239 4.320 0.001 0.000 0.216 544 A C 1.685 179.247 177.584 -0.037 0.000 1.163 544 A CA 0.569 52.596 52.037 -0.017 0.000 0.676 544 A CB -1.318 17.620 19.000 -0.103 0.000 0.818 544 A HN 0.069 nan 8.150 nan 0.000 0.453 545 Y N 0.327 120.676 120.300 0.081 0.000 2.578 545 Y HA 0.332 4.883 4.550 0.001 0.000 0.297 545 Y C 1.527 177.504 175.900 0.127 0.000 1.176 545 Y CA -0.266 57.886 58.100 0.087 0.000 1.315 545 Y CB -0.480 38.026 38.460 0.076 0.000 1.031 545 Y HN 0.292 nan 8.280 nan 0.000 0.524 546 A N 0.370 123.346 122.820 0.260 0.000 2.526 546 A HA 0.364 4.684 4.320 0.001 0.000 0.267 546 A C 1.617 179.388 177.584 0.312 0.000 1.095 546 A CA 0.848 53.045 52.037 0.267 0.000 0.775 546 A CB -1.099 17.914 19.000 0.021 0.000 1.036 546 A HN 0.878 nan 8.150 nan 0.000 0.510 547 G N 2.154 111.159 108.800 0.341 0.000 2.148 547 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 547 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 547 G C 0.155 175.207 174.900 0.253 0.000 0.981 547 G CA 0.837 46.050 45.100 0.189 0.000 0.670 547 G HN 0.827 nan 8.290 nan 0.000 0.528 548 K N -0.025 120.526 120.400 0.253 0.000 2.221 548 K HA 0.679 5.000 4.320 0.001 0.000 0.258 548 K C 0.375 177.096 176.600 0.200 0.000 0.944 548 K CA 0.047 56.459 56.287 0.209 0.000 0.823 548 K CB 2.001 34.621 32.500 0.200 0.000 1.113 548 K HN 1.073 nan 8.250 nan 0.000 0.431 549 G N 0.495 109.358 108.800 0.104 0.000 2.353 549 G HA2 0.310 4.271 3.960 0.001 0.000 0.308 549 G HA3 0.310 4.271 3.960 0.001 0.000 0.308 549 G C -1.525 173.336 174.900 -0.066 0.000 1.418 549 G CA -0.675 44.425 45.100 0.000 0.000 0.966 549 G HN 0.644 nan 8.290 nan 0.000 0.638 550 A N 0.476 123.194 122.820 -0.170 0.000 2.498 550 A HA 0.591 4.912 4.320 0.001 0.000 0.239 550 A C 1.134 178.692 177.584 -0.044 0.000 1.068 550 A CA 0.932 52.912 52.037 -0.094 0.000 0.766 550 A CB -0.034 18.918 19.000 -0.080 0.000 1.003 550 A HN 1.762 nan 8.150 nan 0.000 0.497 551 S N 0.968 116.668 115.700 0.001 0.000 2.549 551 S HA 0.391 4.861 4.470 0.001 0.000 0.286 551 S C 0.738 175.386 174.600 0.080 0.000 1.314 551 S CA 0.573 58.734 58.200 -0.065 0.000 1.062 551 S CB 0.143 63.174 63.200 -0.281 0.000 0.865 551 S HN 1.097 nan 8.310 nan 0.000 0.498 552 T N 1.029 115.589 114.554 0.010 0.000 2.907 552 T HA 0.505 4.855 4.350 0.001 0.000 0.292 552 T C -2.577 172.114 174.700 -0.014 0.000 1.043 552 T CA -2.223 59.929 62.100 0.087 0.000 1.003 552 T CB 1.785 70.691 68.868 0.063 0.000 1.084 552 T HN 0.104 nan 8.240 nan 0.000 0.483 553 P HA -0.175 nan 4.420 nan 0.000 0.214 553 P C 1.994 179.084 177.300 -0.349 0.000 1.163 553 P CA 1.917 64.920 63.100 -0.162 0.000 0.883 553 P CB -0.043 31.518 31.700 -0.232 0.000 0.788 554 S N -0.269 115.186 115.700 -0.409 0.000 2.343 554 S HA -0.270 4.201 4.470 0.001 0.000 0.219 554 S C 2.066 175.883 174.600 -1.304 0.000 1.033 554 S CA 1.257 58.962 58.200 -0.825 0.000 1.014 554 S CB -1.690 61.035 63.200 -0.792 0.000 0.915 554 S HN 0.185 nan 8.310 nan 0.000 0.435 555 Q N 0.622 119.846 119.800 -0.960 0.000 2.234 555 Q HA -0.083 4.258 4.340 0.001 0.000 0.206 555 Q C 2.320 178.161 176.000 -0.265 0.000 0.980 555 Q CA 1.759 57.232 55.803 -0.550 0.000 0.869 555 Q CB -0.628 28.017 28.738 -0.155 0.000 0.912 555 Q HN 0.657 nan 8.270 nan 0.000 0.436 556 T N 0.635 115.045 114.554 -0.240 0.000 2.770 556 T HA -0.100 4.251 4.350 0.001 0.000 0.263 556 T C 1.925 176.518 174.700 -0.179 0.000 1.039 556 T CA 1.155 63.216 62.100 -0.065 0.000 1.142 556 T CB -0.269 68.540 68.868 -0.098 0.000 0.868 556 T HN 0.404 nan 8.240 nan 0.000 0.435 557 A N 0.803 123.458 122.820 -0.274 0.000 1.978 557 A HA -0.114 4.207 4.320 0.001 0.000 0.220 557 A C 2.076 179.596 177.584 -0.106 0.000 1.170 557 A CA 1.246 53.157 52.037 -0.211 0.000 0.636 557 A CB -0.846 18.011 19.000 -0.239 0.000 0.810 557 A HN 0.568 nan 8.150 nan 0.000 0.448 558 W N -0.517 120.623 121.300 -0.265 0.000 2.378 558 W HA 0.043 4.704 4.660 0.001 0.000 0.313 558 W C 2.828 179.157 176.519 -0.317 0.000 1.197 558 W CA 0.628 57.799 57.345 -0.289 0.000 1.304 558 W CB -1.345 27.954 29.460 -0.269 0.000 1.148 558 W HN 0.405 nan 8.180 nan 0.000 0.494 559 A N -0.022 122.647 122.820 -0.252 0.000 1.972 559 A HA -0.139 4.182 4.320 0.001 0.000 0.219 559 A C 2.095 179.351 177.584 -0.546 0.000 1.169 559 A CA 1.201 52.860 52.037 -0.629 0.000 0.635 559 A CB -0.839 17.182 19.000 -1.632 0.000 0.810 559 A HN 0.117 nan 8.150 nan 0.000 0.446 560 L N -0.671 120.307 121.223 -0.408 0.000 1.994 560 L HA -0.168 4.173 4.340 0.001 0.000 0.208 560 L C 2.673 179.496 176.870 -0.079 0.000 1.071 560 L CA 2.176 56.904 54.840 -0.187 0.000 0.745 560 L CB -1.197 40.809 42.059 -0.089 0.000 0.892 560 L HN 0.476 nan 8.230 nan 0.000 0.431 561 M N -1.204 118.367 119.600 -0.048 0.000 2.202 561 M HA -0.198 4.283 4.480 0.001 0.000 0.262 561 M C 2.280 178.563 176.300 -0.029 0.000 1.063 561 M CA 1.696 56.992 55.300 -0.006 0.000 1.097 561 M CB -0.476 32.141 32.600 0.029 0.000 1.382 561 M HN 0.289 nan 8.290 nan 0.000 0.413 562 A N 0.781 123.561 122.820 -0.067 0.000 1.877 562 A HA -0.121 4.199 4.320 0.001 0.000 0.216 562 A C 2.097 179.663 177.584 -0.030 0.000 1.186 562 A CA 1.386 53.389 52.037 -0.057 0.000 0.620 562 A CB -0.877 18.084 19.000 -0.065 0.000 0.822 562 A HN 0.455 nan 8.150 nan 0.000 0.443 563 L N -0.592 120.609 121.223 -0.037 0.000 2.056 563 L HA -0.146 4.195 4.340 0.001 0.000 0.207 563 L C 2.499 179.387 176.870 0.030 0.000 1.078 563 L CA 1.102 55.949 54.840 0.012 0.000 0.749 563 L CB -0.575 41.504 42.059 0.033 0.000 0.901 563 L HN 0.377 nan 8.230 nan 0.000 0.433 564 I N 0.110 120.700 120.570 0.033 0.000 2.226 564 I HA -0.272 3.898 4.170 0.001 0.000 0.245 564 I C 2.813 178.938 176.117 0.014 0.000 1.100 564 I CA 1.237 62.561 61.300 0.040 0.000 1.374 564 I CB -0.454 37.581 38.000 0.059 0.000 1.057 564 I HN 0.195 nan 8.210 nan 0.000 0.413 565 A N 0.785 123.607 122.820 0.003 0.000 1.930 565 A HA -0.063 4.258 4.320 0.001 0.000 0.217 565 A C 2.301 179.879 177.584 -0.011 0.000 1.175 565 A CA 1.640 53.672 52.037 -0.009 0.000 0.627 565 A CB -1.236 17.751 19.000 -0.023 0.000 0.815 565 A HN 0.460 nan 8.150 nan 0.000 0.443 566 G N -2.085 106.711 108.800 -0.007 0.000 2.848 566 G HA2 0.338 4.299 3.960 0.001 0.000 0.208 566 G HA3 0.338 4.299 3.960 0.001 0.000 0.208 566 G C 1.196 176.100 174.900 0.006 0.000 1.152 566 G CA 0.714 45.812 45.100 -0.004 0.000 0.789 566 G HN 1.633 nan 8.290 nan 0.000 0.531 567 G N 0.053 108.859 108.800 0.009 0.000 2.258 567 G HA2 -0.285 3.675 3.960 0.001 0.000 0.233 567 G HA3 -0.285 3.675 3.960 0.001 0.000 0.233 567 G C 1.029 175.943 174.900 0.024 0.000 1.006 567 G CA 0.253 45.360 45.100 0.012 0.000 0.620 567 G HN 0.471 nan 8.290 nan 0.000 0.511 568 R N 1.400 121.923 120.500 0.038 0.000 2.858 568 R HA 0.584 4.925 4.340 0.001 0.000 0.228 568 R C 2.297 178.645 176.300 0.081 0.000 1.471 568 R CA 1.047 57.183 56.100 0.060 0.000 1.342 568 R CB -0.518 29.826 30.300 0.073 0.000 1.152 568 R HN 0.592 nan 8.270 nan 0.000 0.521 569 A N 0.037 122.893 122.820 0.060 0.000 1.968 569 A HA -0.137 4.184 4.320 0.001 0.000 0.217 569 A C 1.906 179.547 177.584 0.096 0.000 1.169 569 A CA 1.133 53.216 52.037 0.077 0.000 0.638 569 A CB -0.047 18.939 19.000 -0.024 0.000 0.812 569 A HN 0.267 nan 8.150 nan 0.000 0.446 570 E N 0.553 120.787 120.200 0.056 0.000 2.208 570 E HA -0.001 4.350 4.350 0.001 0.000 0.193 570 E C 1.260 177.917 176.600 0.096 0.000 0.988 570 E CA 0.589 57.027 56.400 0.063 0.000 0.828 570 E CB -0.272 29.449 29.700 0.035 0.000 0.763 570 E HN 0.505 nan 8.360 nan 0.000 0.478 571 S N 0.112 115.872 115.700 0.100 0.000 2.553 571 S HA -0.122 4.349 4.470 0.001 0.000 0.271 571 S C 1.289 175.961 174.600 0.119 0.000 1.362 571 S CA -0.051 58.211 58.200 0.103 0.000 1.010 571 S CB 0.501 63.766 63.200 0.109 0.000 0.865 571 S HN 0.163 nan 8.310 nan 0.000 0.543 572 E N 2.044 122.302 120.200 0.096 0.000 2.028 572 E HA -0.059 4.291 4.350 0.001 0.000 0.190 572 E C 2.417 179.075 176.600 0.096 0.000 0.984 572 E CA 1.432 57.882 56.400 0.084 0.000 0.800 572 E CB -0.971 28.762 29.700 0.054 0.000 0.758 572 E HN 0.777 nan 8.360 nan 0.000 0.448 573 A N 1.437 124.323 122.820 0.109 0.000 1.948 573 A HA -0.222 4.099 4.320 0.001 0.000 0.220 573 A C 2.373 180.109 177.584 0.252 0.000 1.177 573 A CA 2.408 54.534 52.037 0.148 0.000 0.636 573 A CB -0.622 18.511 19.000 0.222 0.000 0.815 573 A HN 0.303 nan 8.150 nan 0.000 0.449 574 A N -0.296 122.666 122.820 0.236 0.000 1.845 574 A HA -0.157 4.164 4.320 0.001 0.000 0.215 574 A C 2.251 179.934 177.584 0.164 0.000 1.195 574 A CA 1.822 54.003 52.037 0.240 0.000 0.616 574 A CB -0.579 18.574 19.000 0.255 0.000 0.832 574 A HN 0.562 nan 8.150 nan 0.000 0.443 575 R N -0.955 119.644 120.500 0.164 0.000 2.127 575 R HA -0.130 4.210 4.340 0.001 0.000 0.238 575 R C 2.320 178.659 176.300 0.066 0.000 1.134 575 R CA 1.236 57.403 56.100 0.111 0.000 0.975 575 R CB -0.206 30.191 30.300 0.162 0.000 0.865 575 R HN 0.354 nan 8.270 nan 0.000 0.447 576 R N -0.277 120.268 120.500 0.075 0.000 2.073 576 R HA -0.069 4.271 4.340 0.001 0.000 0.234 576 R C 2.252 178.590 176.300 0.063 0.000 1.134 576 R CA 1.610 57.736 56.100 0.043 0.000 0.952 576 R CB -0.864 29.431 30.300 -0.007 0.000 0.850 576 R HN 0.453 nan 8.270 nan 0.000 0.433 577 G N 0.277 109.142 108.800 0.110 0.000 2.418 577 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 577 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 577 G C 1.554 176.551 174.900 0.162 0.000 1.158 577 G CA 0.729 45.952 45.100 0.205 0.000 0.771 577 G HN 0.168 nan 8.290 nan 0.000 0.545 578 V N 0.398 120.327 119.914 0.024 0.000 2.392 578 V HA -0.205 3.916 4.120 0.001 0.000 0.249 578 V C 2.982 179.107 176.094 0.051 0.000 1.059 578 V CA 1.825 64.078 62.300 -0.078 0.000 1.051 578 V CB -0.372 31.217 31.823 -0.390 0.000 0.658 578 V HN 0.259 nan 8.190 nan 0.000 0.455 579 Q N -0.844 119.000 119.800 0.074 0.000 2.050 579 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 579 Q C 2.118 178.186 176.000 0.113 0.000 0.980 579 Q CA 2.135 57.991 55.803 0.087 0.000 0.840 579 Q CB -0.623 28.158 28.738 0.071 0.000 0.898 579 Q HN 0.792 nan 8.270 nan 0.000 0.424 580 Y N 1.044 121.368 120.300 0.040 0.000 2.081 580 Y HA -0.262 4.289 4.550 0.001 0.000 0.280 580 Y C 2.068 178.043 175.900 0.124 0.000 1.163 580 Y CA 1.752 59.887 58.100 0.058 0.000 1.135 580 Y CB -0.399 38.082 38.460 0.035 0.000 0.970 580 Y HN 0.052 nan 8.280 nan 0.000 0.498 581 L N -1.236 120.167 121.223 0.299 0.000 2.093 581 L HA -0.206 4.135 4.340 0.001 0.000 0.208 581 L C 2.346 179.454 176.870 0.397 0.000 1.085 581 L CA 1.058 56.104 54.840 0.343 0.000 0.755 581 L CB -0.744 41.439 42.059 0.208 0.000 0.904 581 L HN 0.145 nan 8.230 nan 0.000 0.435 582 V N -0.083 119.962 119.914 0.219 0.000 2.358 582 V HA -0.251 3.869 4.120 0.001 0.000 0.246 582 V C 2.330 178.455 176.094 0.052 0.000 1.047 582 V CA 1.788 64.180 62.300 0.154 0.000 1.035 582 V CB -0.452 31.440 31.823 0.115 0.000 0.658 582 V HN 0.459 nan 8.190 nan 0.000 0.452 583 E N 0.535 120.736 120.200 0.002 0.000 2.046 583 E HA -0.160 4.190 4.350 0.001 0.000 0.190 583 E C 2.242 178.773 176.600 -0.115 0.000 0.982 583 E CA 1.727 58.086 56.400 -0.067 0.000 0.800 583 E CB -0.362 29.285 29.700 -0.088 0.000 0.756 583 E HN 0.765 nan 8.360 nan 0.000 0.449 584 T N -0.857 113.600 114.554 -0.160 0.000 3.113 584 T HA -0.123 4.227 4.350 0.001 0.000 0.263 584 T C 0.979 175.609 174.700 -0.117 0.000 1.143 584 T CA 0.077 62.090 62.100 -0.145 0.000 1.090 584 T CB -0.025 68.674 68.868 -0.282 0.000 0.922 584 T HN 0.015 nan 8.240 nan 0.000 0.521 585 Q N 1.244 120.904 119.800 -0.234 0.000 2.395 585 Q HA 0.126 4.466 4.340 0.001 0.000 0.271 585 Q C -0.013 175.667 176.000 -0.533 0.000 1.026 585 Q CA -0.247 55.081 55.803 -0.792 0.000 0.900 585 Q CB 0.580 28.885 28.738 -0.722 0.000 1.266 585 Q HN 0.430 nan 8.270 nan 0.000 0.430 586 R N 3.049 123.177 120.500 -0.620 0.000 2.546 586 R HA 0.149 4.490 4.340 0.001 0.000 0.266 586 R C -1.701 174.392 176.300 -0.344 0.000 1.086 586 R CA -1.695 54.172 56.100 -0.388 0.000 1.160 586 R CB 0.217 30.302 30.300 -0.358 0.000 1.138 586 R HN 0.552 nan 8.270 nan 0.000 0.567 587 P HA -0.113 nan 4.420 nan 0.000 0.223 587 P C 0.044 177.233 177.300 -0.184 0.000 1.151 587 P CA 1.079 64.071 63.100 -0.180 0.000 0.787 587 P CB 0.188 31.814 31.700 -0.124 0.000 0.788 588 D N -2.198 118.060 120.400 -0.237 0.000 2.289 588 D HA 0.075 4.715 4.640 0.001 0.000 0.207 588 D C 1.570 177.697 176.300 -0.290 0.000 0.966 588 D CA 1.165 55.040 54.000 -0.208 0.000 0.868 588 D CB -0.745 39.947 40.800 -0.180 0.000 0.943 588 D HN 0.218 nan 8.370 nan 0.000 0.514 589 G N -0.932 107.583 108.800 -0.476 0.000 2.336 589 G HA2 -0.072 3.889 3.960 0.001 0.000 0.194 589 G HA3 -0.072 3.889 3.960 0.001 0.000 0.194 589 G C 0.677 175.101 174.900 -0.792 0.000 0.999 589 G CA -0.049 44.754 45.100 -0.496 0.000 0.669 589 G HN 0.734 nan 8.290 nan 0.000 0.482 590 G N -1.296 106.879 108.800 -1.043 0.000 2.563 590 G HA2 0.507 4.467 3.960 0.001 0.000 0.283 590 G HA3 0.507 4.467 3.960 0.001 0.000 0.283 590 G C -0.259 174.394 174.900 -0.411 0.000 1.309 590 G CA -0.379 44.327 45.100 -0.657 0.000 1.022 590 G HN 0.253 nan 8.290 nan 0.000 0.501 591 W N -1.268 120.121 121.300 0.150 0.000 2.962 591 W HA 0.356 5.016 4.660 0.001 0.000 0.341 591 W C -1.023 175.528 176.519 0.052 0.000 1.155 591 W CA -0.468 56.910 57.345 0.055 0.000 1.165 591 W CB 2.294 31.784 29.460 0.050 0.000 1.435 591 W HN 0.366 nan 8.180 nan 0.000 0.546 592 D N 0.823 121.380 120.400 0.262 0.000 2.272 592 D HA 0.321 4.962 4.640 0.001 0.000 0.247 592 D C -0.924 175.465 176.300 0.149 0.000 0.990 592 D CA -0.226 53.868 54.000 0.157 0.000 0.931 592 D CB 2.214 43.068 40.800 0.091 0.000 1.195 592 D HN 0.306 nan 8.370 nan 0.000 0.477 593 E N 1.056 121.315 120.200 0.098 0.000 2.738 593 E HA 0.130 4.481 4.350 0.001 0.000 0.347 593 E C -2.189 174.436 176.600 0.043 0.000 1.077 593 E CA -1.059 55.403 56.400 0.103 0.000 0.755 593 E CB 1.401 31.172 29.700 0.118 0.000 1.576 593 E HN 0.101 nan 8.360 nan 0.000 0.379 594 P HA -0.013 nan 4.420 nan 0.000 0.247 594 P C -0.621 176.429 177.300 -0.416 0.000 1.225 594 P CA 0.386 63.313 63.100 -0.287 0.000 0.768 594 P CB -0.105 31.322 31.700 -0.455 0.000 1.020 595 Y N -1.064 119.305 120.300 0.115 0.000 2.524 595 Y HA 0.387 4.938 4.550 0.001 0.000 0.344 595 Y C 0.663 176.727 175.900 0.273 0.000 1.012 595 Y CA -1.467 56.707 58.100 0.122 0.000 1.068 595 Y CB 0.635 39.148 38.460 0.088 0.000 1.249 595 Y HN -0.206 nan 8.280 nan 0.000 0.468 596 Y N 0.860 121.314 120.300 0.257 0.000 2.319 596 Y HA 0.247 4.797 4.550 0.001 0.000 0.328 596 Y C 1.112 177.125 175.900 0.189 0.000 1.133 596 Y CA -0.934 57.279 58.100 0.187 0.000 1.265 596 Y CB 0.992 39.547 38.460 0.158 0.000 1.218 596 Y HN 0.646 nan 8.280 nan 0.000 0.508 597 T N -1.190 113.590 114.554 0.378 0.000 3.288 597 T HA 0.463 4.814 4.350 0.001 0.000 0.293 597 T C 0.278 175.252 174.700 0.456 0.000 1.008 597 T CA -0.221 62.103 62.100 0.374 0.000 0.929 597 T CB -0.274 68.764 68.868 0.282 0.000 1.152 597 T HN 0.688 nan 8.240 nan 0.000 0.517 598 G N 0.382 109.414 108.800 0.386 0.000 2.482 598 G HA2 0.586 4.546 3.960 0.001 0.000 0.317 598 G HA3 0.586 4.546 3.960 0.001 0.000 0.317 598 G C -1.053 174.015 174.900 0.280 0.000 1.241 598 G CA -0.674 44.665 45.100 0.398 0.000 0.967 598 G HN 0.204 nan 8.290 nan 0.000 0.482 599 T N 0.820 115.475 114.554 0.169 0.000 2.792 599 T HA 0.544 4.894 4.350 0.001 0.000 0.280 599 T C 1.121 175.749 174.700 -0.121 0.000 0.990 599 T CA 0.185 62.248 62.100 -0.060 0.000 0.960 599 T CB 1.865 70.589 68.868 -0.239 0.000 0.939 599 T HN 0.636 nan 8.240 nan 0.000 0.439 600 G N 1.805 110.444 108.800 -0.268 0.000 2.615 600 G HA2 0.296 4.256 3.960 0.001 0.000 0.213 600 G HA3 0.296 4.256 3.960 0.001 0.000 0.213 600 G C -0.412 174.036 174.900 -0.753 0.000 1.215 600 G CA 0.223 45.102 45.100 -0.369 0.000 0.843 600 G HN 0.544 nan 8.290 nan 0.000 0.571 601 F N 0.986 120.672 119.950 -0.439 0.000 2.536 601 F HA 0.475 5.003 4.527 0.001 0.000 0.322 601 F C -2.478 172.925 175.800 -0.661 0.000 1.144 601 F CA -3.401 54.274 58.000 -0.541 0.000 0.924 601 F CB 2.017 40.730 39.000 -0.477 0.000 1.181 601 F HN -0.131 nan 8.300 nan 0.000 0.438 602 P HA 0.116 nan 4.420 nan 0.000 0.255 602 P C 0.875 178.005 177.300 -0.283 0.000 1.173 602 P CA 1.573 64.356 63.100 -0.529 0.000 0.780 602 P CB 0.250 31.930 31.700 -0.033 0.000 0.758 603 G N 3.313 111.954 108.800 -0.264 0.000 2.205 603 G HA2 -0.254 3.706 3.960 0.001 0.000 0.261 603 G HA3 -0.254 3.706 3.960 0.001 0.000 0.261 603 G C 0.779 175.693 174.900 0.023 0.000 0.980 603 G CA 0.335 45.481 45.100 0.078 0.000 0.632 603 G HN 0.488 nan 8.290 nan 0.000 0.533 604 D N -1.656 118.612 120.400 -0.220 0.000 2.457 604 D HA 0.315 4.955 4.640 0.001 0.000 0.254 604 D C -0.177 176.113 176.300 -0.017 0.000 1.097 604 D CA 0.240 54.121 54.000 -0.198 0.000 0.870 604 D CB 0.809 41.215 40.800 -0.657 0.000 1.253 604 D HN 0.275 nan 8.370 nan 0.000 0.500 605 F N 0.924 120.592 119.950 -0.470 0.000 2.588 605 F HA 0.353 4.881 4.527 0.001 0.000 0.318 605 F C -1.700 173.721 175.800 -0.633 0.000 1.155 605 F CA -0.778 57.042 58.000 -0.301 0.000 0.967 605 F CB 1.315 40.172 39.000 -0.238 0.000 1.236 605 F HN -0.315 nan 8.300 nan 0.000 0.455 606 Y N 5.126 125.267 120.300 -0.266 0.000 2.524 606 Y HA 0.782 5.332 4.550 0.001 0.000 0.344 606 Y C -0.899 174.874 175.900 -0.211 0.000 1.012 606 Y CA -1.073 56.967 58.100 -0.100 0.000 1.068 606 Y CB 1.990 40.512 38.460 0.104 0.000 1.249 606 Y HN 0.369 nan 8.280 nan 0.000 0.468 607 L N 1.267 122.461 121.223 -0.048 0.000 2.370 607 L HA 0.812 5.152 4.340 0.001 0.000 0.266 607 L C 0.082 176.542 176.870 -0.684 0.000 1.002 607 L CA -1.081 53.494 54.840 -0.442 0.000 0.818 607 L CB 2.264 44.135 42.059 -0.313 0.000 1.325 607 L HN 0.844 nan 8.230 nan 0.000 0.418 608 G N 0.801 108.958 108.800 -1.072 0.000 2.522 608 G HA2 0.463 4.424 3.960 0.001 0.000 0.318 608 G HA3 0.463 4.424 3.960 0.001 0.000 0.318 608 G C -1.278 173.377 174.900 -0.409 0.000 1.192 608 G CA -0.182 44.501 45.100 -0.694 0.000 0.988 608 G HN 0.388 nan 8.290 nan 0.000 0.480 609 Y N 2.970 123.079 120.300 -0.318 0.000 2.627 609 Y HA 0.143 4.693 4.550 0.001 0.000 0.347 609 Y C 2.149 177.939 175.900 -0.183 0.000 1.099 609 Y CA -0.127 57.747 58.100 -0.376 0.000 1.408 609 Y CB 0.879 38.672 38.460 -1.111 0.000 1.247 609 Y HN 0.587 nan 8.280 nan 0.000 0.506 610 T N 2.135 116.696 114.554 0.011 0.000 2.653 610 T HA -0.276 4.075 4.350 0.001 0.000 0.267 610 T C 2.004 176.771 174.700 0.113 0.000 1.037 610 T CA 1.675 63.811 62.100 0.060 0.000 1.159 610 T CB -0.069 68.823 68.868 0.040 0.000 0.859 610 T HN 0.551 nan 8.240 nan 0.000 0.449 611 M N -0.462 119.248 119.600 0.184 0.000 2.394 611 M HA 0.031 4.511 4.480 0.001 0.000 0.264 611 M C 1.899 178.350 176.300 0.251 0.000 1.073 611 M CA 0.954 56.392 55.300 0.231 0.000 1.111 611 M CB -0.964 31.757 32.600 0.201 0.000 1.401 611 M HN 0.268 nan 8.290 nan 0.000 0.448 612 Y N 1.704 122.091 120.300 0.146 0.000 2.102 612 Y HA -0.274 4.277 4.550 0.001 0.000 0.280 612 Y C 2.571 178.523 175.900 0.087 0.000 1.178 612 Y CA 1.822 60.069 58.100 0.245 0.000 1.146 612 Y CB -1.242 37.449 38.460 0.384 0.000 0.968 612 Y HN 0.406 nan 8.280 nan 0.000 0.504 613 R N -0.596 119.959 120.500 0.091 0.000 2.159 613 R HA -0.180 4.161 4.340 0.001 0.000 0.237 613 R C 1.450 177.695 176.300 -0.093 0.000 1.131 613 R CA 1.967 58.010 56.100 -0.096 0.000 0.982 613 R CB -0.728 29.478 30.300 -0.157 0.000 0.868 613 R HN 0.404 nan 8.270 nan 0.000 0.453 614 H N 0.130 119.341 119.070 0.236 0.000 2.406 614 H HA 0.145 4.701 4.556 0.001 0.000 0.304 614 H C 2.448 177.833 175.328 0.096 0.000 1.042 614 H CA 0.929 57.162 56.048 0.309 0.000 1.360 614 H CB -0.293 29.696 29.762 0.377 0.000 1.448 614 H HN 0.002 nan 8.280 nan 0.000 0.553 615 V N 1.390 121.342 119.914 0.064 0.000 2.261 615 V HA -0.240 3.880 4.120 0.001 0.000 0.246 615 V C 2.351 178.267 176.094 -0.296 0.000 1.047 615 V CA 1.836 64.005 62.300 -0.218 0.000 1.015 615 V CB -0.826 30.732 31.823 -0.442 0.000 0.642 615 V HN 0.105 nan 8.190 nan 0.000 0.446 616 F N -0.028 119.824 119.950 -0.163 0.000 2.134 616 F HA -0.035 4.492 4.527 0.001 0.000 0.299 616 F C 0.101 175.752 175.800 -0.248 0.000 1.097 616 F CA 1.584 59.465 58.000 -0.198 0.000 1.264 616 F CB -2.129 36.736 39.000 -0.226 0.000 1.001 616 F HN 0.278 nan 8.300 nan 0.000 0.479 617 P HA -0.099 nan 4.420 nan 0.000 0.216 617 P C 1.648 178.823 177.300 -0.209 0.000 1.153 617 P CA 2.030 64.878 63.100 -0.420 0.000 0.848 617 P CB -0.180 30.807 31.700 -1.188 0.000 0.787 618 T N 0.042 114.533 114.554 -0.105 0.000 2.720 618 T HA -0.163 4.188 4.350 0.001 0.000 0.268 618 T C 1.665 176.346 174.700 -0.031 0.000 1.037 618 T CA 1.141 63.252 62.100 0.017 0.000 1.144 618 T CB -0.900 67.991 68.868 0.039 0.000 0.864 618 T HN 0.015 nan 8.240 nan 0.000 0.444 619 L N 1.369 122.545 121.223 -0.078 0.000 2.027 619 L HA 0.163 4.504 4.340 0.001 0.000 0.206 619 L C 2.600 179.465 176.870 -0.009 0.000 1.074 619 L CA 1.890 56.687 54.840 -0.071 0.000 0.745 619 L CB -1.077 40.920 42.059 -0.105 0.000 0.898 619 L HN 0.196 nan 8.230 nan 0.000 0.433 620 A N -0.277 122.547 122.820 0.006 0.000 1.883 620 A HA -0.172 4.149 4.320 0.001 0.000 0.217 620 A C 2.265 179.856 177.584 0.012 0.000 1.186 620 A CA 2.094 54.139 52.037 0.013 0.000 0.624 620 A CB -0.971 18.016 19.000 -0.021 0.000 0.822 620 A HN 0.520 nan 8.150 nan 0.000 0.444 621 L N -0.834 120.384 121.223 -0.008 0.000 2.093 621 L HA -0.111 4.230 4.340 0.001 0.000 0.208 621 L C 2.837 179.719 176.870 0.019 0.000 1.085 621 L CA 1.043 55.880 54.840 -0.006 0.000 0.755 621 L CB -0.918 41.166 42.059 0.041 0.000 0.904 621 L HN 0.503 nan 8.230 nan 0.000 0.435 622 G N -0.109 108.707 108.800 0.028 0.000 2.442 622 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 622 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 622 G C 1.775 176.688 174.900 0.022 0.000 1.141 622 G CA 0.411 45.527 45.100 0.027 0.000 0.763 622 G HN 0.295 nan 8.290 nan 0.000 0.554 623 R N -1.313 119.205 120.500 0.029 0.000 2.115 623 R HA 0.008 4.349 4.340 0.001 0.000 0.226 623 R C 2.249 178.567 176.300 0.030 0.000 1.100 623 R CA 0.907 57.026 56.100 0.032 0.000 0.980 623 R CB -0.432 29.894 30.300 0.044 0.000 0.875 623 R HN 0.485 nan 8.270 nan 0.000 0.445 624 Y N 2.152 122.389 120.300 -0.104 0.000 2.145 624 Y HA -0.259 4.291 4.550 0.001 0.000 0.286 624 Y C 2.398 178.186 175.900 -0.187 0.000 1.145 624 Y CA 1.720 59.727 58.100 -0.155 0.000 1.148 624 Y CB -0.090 38.228 38.460 -0.237 0.000 0.981 624 Y HN -0.155 nan 8.280 nan 0.000 0.507 625 K N -0.136 120.188 120.400 -0.126 0.000 2.160 625 K HA -0.297 4.024 4.320 0.001 0.000 0.206 625 K C 2.039 178.601 176.600 -0.063 0.000 1.047 625 K CA 1.995 58.217 56.287 -0.109 0.000 0.930 625 K CB -0.167 32.354 32.500 0.036 0.000 0.720 625 K HN 0.366 nan 8.250 nan 0.000 0.450 626 Q N -0.165 119.603 119.800 -0.054 0.000 2.224 626 Q HA 0.047 4.387 4.340 0.001 0.000 0.203 626 Q C 0.732 176.692 176.000 -0.067 0.000 0.970 626 Q CA 1.202 56.984 55.803 -0.035 0.000 0.865 626 Q CB 0.108 28.839 28.738 -0.012 0.000 0.922 626 Q HN 0.393 nan 8.270 nan 0.000 0.445 627 A N 0.036 122.775 122.820 -0.134 0.000 2.958 627 A HA 0.370 4.691 4.320 0.001 0.000 0.247 627 A C -0.289 177.196 177.584 -0.164 0.000 1.679 627 A CA 0.258 52.204 52.037 -0.152 0.000 1.345 627 A CB -0.561 18.314 19.000 -0.209 0.000 1.013 627 A HN 0.264 nan 8.150 nan 0.000 0.641 628 I N 0.000 120.515 120.570 -0.092 0.000 2.984 628 I HA 0.000 4.171 4.170 0.001 0.000 0.288 628 I CA 0.000 61.269 61.300 -0.052 0.000 1.566 628 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 628 I HN 0.000 nan 8.210 nan 0.000 0.494