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 1h3a_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.545 177.584 -0.065 0.000 1.274 10 A CA 0.000 51.948 52.037 -0.148 0.000 0.836 10 A CB 0.000 18.925 19.000 -0.125 0.000 0.831 11 Y N 0.415 120.782 120.300 0.112 0.000 2.544 11 Y HA 0.600 5.150 4.550 0.001 0.000 0.286 11 Y C 2.229 178.200 175.900 0.117 0.000 1.141 11 Y CA 0.639 58.821 58.100 0.138 0.000 1.299 11 Y CB -1.201 37.386 38.460 0.212 0.000 1.030 11 Y HN 0.388 nan 8.280 nan 0.000 0.543 12 A N 2.056 124.921 122.820 0.074 0.000 1.865 12 A HA -0.243 4.078 4.320 0.001 0.000 0.217 12 A C 2.359 180.012 177.584 0.115 0.000 1.191 12 A CA 2.094 54.210 52.037 0.133 0.000 0.623 12 A CB -0.753 18.235 19.000 -0.020 0.000 0.826 12 A HN 0.496 nan 8.150 nan 0.000 0.444 13 R N -0.994 119.540 120.500 0.055 0.000 2.117 13 R HA -0.114 4.227 4.340 0.001 0.000 0.243 13 R C 2.263 178.597 176.300 0.055 0.000 1.143 13 R CA 1.828 57.951 56.100 0.038 0.000 0.968 13 R CB -0.807 29.499 30.300 0.010 0.000 0.863 13 R HN 0.591 nan 8.270 nan 0.000 0.444 14 T N 1.460 116.079 114.554 0.107 0.000 2.708 14 T HA -0.111 4.240 4.350 0.001 0.000 0.266 14 T C 1.887 176.671 174.700 0.141 0.000 1.037 14 T CA 0.986 63.158 62.100 0.120 0.000 1.146 14 T CB -0.140 68.869 68.868 0.235 0.000 0.865 14 T HN 0.127 nan 8.240 nan 0.000 0.435 15 L N 0.978 122.317 121.223 0.194 0.000 1.976 15 L HA -0.136 4.204 4.340 0.001 0.000 0.209 15 L C 2.601 179.539 176.870 0.113 0.000 1.071 15 L CA 1.440 56.386 54.840 0.177 0.000 0.746 15 L CB -0.560 41.612 42.059 0.189 0.000 0.890 15 L HN 0.231 nan 8.230 nan 0.000 0.432 16 D N -0.296 120.159 120.400 0.091 0.000 2.172 16 D HA -0.219 4.422 4.640 0.001 0.000 0.196 16 D C 2.266 178.590 176.300 0.040 0.000 0.999 16 D CA 1.336 55.372 54.000 0.060 0.000 0.856 16 D CB -0.120 40.708 40.800 0.047 0.000 0.934 16 D HN 0.360 nan 8.370 nan 0.000 0.453 17 R N 0.415 120.925 120.500 0.017 0.000 2.075 17 R HA 0.075 4.415 4.340 0.001 0.000 0.226 17 R C 2.359 178.648 176.300 -0.018 0.000 1.114 17 R CA 0.916 57.000 56.100 -0.027 0.000 0.972 17 R CB -0.137 30.106 30.300 -0.095 0.000 0.869 17 R HN 0.069 nan 8.270 nan 0.000 0.437 18 A N 0.704 123.526 122.820 0.004 0.000 1.969 18 A HA -0.069 4.251 4.320 0.001 0.000 0.218 18 A C 2.272 179.940 177.584 0.139 0.000 1.169 18 A CA 1.035 53.121 52.037 0.081 0.000 0.635 18 A CB -0.303 18.840 19.000 0.238 0.000 0.810 18 A HN 0.077 nan 8.150 nan 0.000 0.445 19 V N 1.240 121.210 119.914 0.093 0.000 2.244 19 V HA -0.286 3.835 4.120 0.001 0.000 0.244 19 V C 2.528 178.655 176.094 0.056 0.000 1.042 19 V CA 2.209 64.543 62.300 0.057 0.000 1.006 19 V CB -1.075 30.775 31.823 0.045 0.000 0.641 19 V HN 0.904 nan 8.190 nan 0.000 0.446 20 E N -0.407 119.831 120.200 0.063 0.000 2.267 20 E HA -0.307 4.044 4.350 0.001 0.000 0.197 20 E C 2.114 178.761 176.600 0.079 0.000 0.998 20 E CA 1.864 58.298 56.400 0.058 0.000 0.830 20 E CB -0.513 29.216 29.700 0.049 0.000 0.751 20 E HN 0.703 nan 8.360 nan 0.000 0.491 21 Y N 1.764 122.039 120.300 -0.043 0.000 2.176 21 Y HA -0.015 4.536 4.550 0.001 0.000 0.291 21 Y C 2.027 177.900 175.900 -0.044 0.000 1.122 21 Y CA 1.245 59.302 58.100 -0.071 0.000 1.128 21 Y CB -0.263 38.123 38.460 -0.123 0.000 1.005 21 Y HN -0.055 nan 8.280 nan 0.000 0.509 22 L N -0.236 120.936 121.223 -0.084 0.000 2.079 22 L HA -0.273 4.067 4.340 0.001 0.000 0.210 22 L C 2.381 179.318 176.870 0.111 0.000 1.081 22 L CA 1.367 56.123 54.840 -0.140 0.000 0.752 22 L CB -0.743 41.200 42.059 -0.195 0.000 0.896 22 L HN 0.290 nan 8.230 nan 0.000 0.433 23 L N -0.470 120.805 121.223 0.087 0.000 2.275 23 L HA -0.145 4.195 4.340 0.001 0.000 0.215 23 L C 2.716 179.589 176.870 0.005 0.000 1.119 23 L CA 1.256 56.167 54.840 0.119 0.000 0.790 23 L CB -0.501 41.581 42.059 0.037 0.000 0.919 23 L HN 0.403 nan 8.230 nan 0.000 0.443 24 S N -2.044 113.614 115.700 -0.070 0.000 2.458 24 S HA -0.088 4.383 4.470 0.001 0.000 0.223 24 S C 1.856 176.351 174.600 -0.174 0.000 1.019 24 S CA 0.325 58.450 58.200 -0.124 0.000 0.937 24 S CB -0.545 62.583 63.200 -0.120 0.000 0.788 24 S HN 0.413 nan 8.310 nan 0.000 0.511 25 C N 1.628 120.812 119.300 -0.194 0.000 2.514 25 C HA 0.250 4.711 4.460 0.001 0.000 0.271 25 C C 1.394 176.321 174.990 -0.106 0.000 1.399 25 C CA -0.488 58.435 59.018 -0.158 0.000 1.765 25 C CB -1.562 26.060 27.740 -0.196 0.000 1.893 25 C HN 0.708 nan 8.230 nan 0.000 0.531 26 Q N 1.794 121.482 119.800 -0.186 0.000 2.311 26 Q HA 0.109 4.450 4.340 0.001 0.000 0.272 26 Q C -0.195 175.439 176.000 -0.610 0.000 1.012 26 Q CA 0.482 55.809 55.803 -0.793 0.000 0.891 26 Q CB 0.594 28.722 28.738 -1.018 0.000 1.201 26 Q HN 0.337 nan 8.270 nan 0.000 0.391 27 K N 2.590 122.534 120.400 -0.761 0.000 2.118 27 K HA 0.047 4.367 4.320 0.001 0.000 0.240 27 K C 0.309 176.539 176.600 -0.617 0.000 1.035 27 K CA 0.026 55.912 56.287 -0.669 0.000 0.899 27 K CB 0.412 32.347 32.500 -0.941 0.000 1.085 27 K HN 0.593 nan 8.250 nan 0.000 0.498 28 D N 0.753 120.883 120.400 -0.450 0.000 2.097 28 D HA -0.140 4.500 4.640 0.001 0.000 0.195 28 D C 1.153 177.243 176.300 -0.350 0.000 0.989 28 D CA 1.342 55.146 54.000 -0.326 0.000 0.827 28 D CB 0.004 40.676 40.800 -0.214 0.000 0.966 28 D HN 0.493 nan 8.370 nan 0.000 0.456 29 E N -0.367 119.583 120.200 -0.417 0.000 2.273 29 E HA 0.015 4.365 4.350 0.001 0.000 0.198 29 E C 1.468 177.842 176.600 -0.377 0.000 1.002 29 E CA 1.204 57.420 56.400 -0.306 0.000 0.828 29 E CB -0.335 29.247 29.700 -0.196 0.000 0.747 29 E HN 0.373 nan 8.360 nan 0.000 0.491 30 G N -0.810 107.626 108.800 -0.607 0.000 2.131 30 G HA2 -0.234 3.726 3.960 0.001 0.000 0.201 30 G HA3 -0.234 3.726 3.960 0.001 0.000 0.201 30 G C -0.306 174.143 174.900 -0.751 0.000 1.000 30 G CA 0.022 44.776 45.100 -0.576 0.000 0.680 30 G HN 0.297 nan 8.290 nan 0.000 0.514 31 Y N -2.048 117.690 120.300 -0.936 0.000 2.633 31 Y HA 0.892 5.443 4.550 0.001 0.000 0.339 31 Y C -0.406 175.014 175.900 -0.800 0.000 1.045 31 Y CA -3.457 54.047 58.100 -0.993 0.000 1.098 31 Y CB 1.106 38.544 38.460 -1.703 0.000 1.296 31 Y HN 0.085 nan 8.280 nan 0.000 0.494 32 W N 1.587 122.912 121.300 0.042 0.000 2.666 32 W HA 0.385 5.046 4.660 0.001 0.000 0.334 32 W C -1.813 174.874 176.519 0.279 0.000 1.051 32 W CA -0.902 56.491 57.345 0.080 0.000 1.224 32 W CB 2.057 31.505 29.460 -0.021 0.000 1.405 32 W HN 0.793 nan 8.180 nan 0.000 0.513 33 W N 3.280 124.726 121.300 0.243 0.000 2.725 33 W HA 0.490 5.151 4.660 0.001 0.000 0.305 33 W C -0.985 175.587 176.519 0.088 0.000 1.045 33 W CA -1.298 56.119 57.345 0.120 0.000 1.202 33 W CB 0.516 30.048 29.460 0.121 0.000 1.083 33 W HN 0.378 nan 8.180 nan 0.000 0.343 34 G N 4.707 113.590 108.800 0.138 0.000 2.389 34 G HA2 0.642 4.603 3.960 0.001 0.000 0.317 34 G HA3 0.642 4.603 3.960 0.001 0.000 0.317 34 G C -2.709 172.095 174.900 -0.161 0.000 1.137 34 G CA -1.511 43.566 45.100 -0.040 0.000 0.870 34 G HN 0.141 nan 8.290 nan 0.000 0.496 35 P HA 0.092 nan 4.420 nan 0.000 0.267 35 P C -0.533 176.683 177.300 -0.140 0.000 1.201 35 P CA -0.251 62.703 63.100 -0.243 0.000 0.775 35 P CB 0.708 32.274 31.700 -0.223 0.000 0.854 36 L N 3.709 124.845 121.223 -0.145 0.000 2.298 36 L HA 0.330 4.671 4.340 0.001 0.000 0.284 36 L C -1.142 175.617 176.870 -0.185 0.000 1.013 36 L CA -0.335 54.382 54.840 -0.205 0.000 0.824 36 L CB 0.367 42.324 42.059 -0.169 0.000 1.221 36 L HN 0.105 nan 8.230 nan 0.000 0.418 37 L N 4.000 125.091 121.223 -0.220 0.000 2.379 37 L HA 0.656 4.996 4.340 0.001 0.000 0.269 37 L C 0.813 177.462 176.870 -0.368 0.000 1.084 37 L CA 0.125 54.868 54.840 -0.162 0.000 0.802 37 L CB 1.099 43.191 42.059 0.054 0.000 1.175 37 L HN 0.933 nan 8.230 nan 0.000 0.448 38 S N 1.505 117.103 115.700 -0.169 0.000 4.055 38 S HA 0.475 4.946 4.470 0.001 0.000 0.180 38 S C -0.386 174.252 174.600 0.063 0.000 1.191 38 S CA -0.294 57.751 58.200 -0.258 0.000 1.195 38 S CB 1.244 64.365 63.200 -0.132 0.000 1.932 38 S HN 0.683 nan 8.310 nan 0.000 0.781 39 N N -0.173 118.612 118.700 0.142 0.000 2.853 39 N HA 0.463 5.204 4.740 0.001 0.000 0.258 39 N C 0.436 176.055 175.510 0.182 0.000 1.444 39 N CA -0.380 52.794 53.050 0.208 0.000 0.837 39 N CB 1.179 39.801 38.487 0.224 0.000 1.489 39 N HN 0.814 nan 8.380 nan 0.000 0.529 40 V N -3.227 116.748 119.914 0.102 0.000 3.241 40 V HA -0.111 4.010 4.120 0.001 0.000 0.269 40 V C 1.818 177.878 176.094 -0.056 0.000 1.151 40 V CA 1.804 64.120 62.300 0.027 0.000 1.158 40 V CB -1.877 29.764 31.823 -0.302 0.000 0.764 40 V HN 0.924 nan 8.190 nan 0.000 0.508 41 T N -2.505 112.019 114.554 -0.052 0.000 2.881 41 T HA -0.201 4.149 4.350 0.001 0.000 0.270 41 T C 1.843 176.411 174.700 -0.221 0.000 1.068 41 T CA 1.794 63.803 62.100 -0.151 0.000 1.131 41 T CB -0.431 68.365 68.868 -0.120 0.000 0.871 41 T HN 0.357 nan 8.240 nan 0.000 0.479 42 M N 1.416 120.941 119.600 -0.125 0.000 2.059 42 M HA -0.001 4.480 4.480 0.001 0.000 0.259 42 M C 2.325 178.523 176.300 -0.170 0.000 1.072 42 M CA 1.821 56.998 55.300 -0.206 0.000 1.117 42 M CB -1.294 31.277 32.600 -0.047 0.000 1.320 42 M HN 0.286 nan 8.290 nan 0.000 0.408 43 E N 0.804 120.980 120.200 -0.039 0.000 2.077 43 E HA -0.058 4.293 4.350 0.001 0.000 0.193 43 E C 2.134 178.769 176.600 0.059 0.000 0.989 43 E CA 1.569 58.004 56.400 0.058 0.000 0.800 43 E CB -0.667 29.106 29.700 0.121 0.000 0.746 43 E HN 0.516 nan 8.360 nan 0.000 0.452 44 A N 1.198 123.977 122.820 -0.069 0.000 1.865 44 A HA -0.284 4.037 4.320 0.001 0.000 0.217 44 A C 2.029 179.471 177.584 -0.236 0.000 1.191 44 A CA 1.912 53.860 52.037 -0.150 0.000 0.623 44 A CB -0.593 18.267 19.000 -0.233 0.000 0.826 44 A HN 0.254 nan 8.150 nan 0.000 0.444 45 E N -1.943 118.004 120.200 -0.423 0.000 2.150 45 E HA -0.183 4.168 4.350 0.001 0.000 0.193 45 E C 1.832 178.274 176.600 -0.263 0.000 0.985 45 E CA 1.235 57.158 56.400 -0.795 0.000 0.814 45 E CB -0.282 28.670 29.700 -1.247 0.000 0.752 45 E HN 0.801 nan 8.360 nan 0.000 0.466 46 Y N 1.314 121.569 120.300 -0.077 0.000 2.181 46 Y HA -0.246 4.304 4.550 0.001 0.000 0.288 46 Y C 2.078 177.989 175.900 0.019 0.000 1.146 46 Y CA 1.117 59.289 58.100 0.121 0.000 1.164 46 Y CB -0.235 38.302 38.460 0.129 0.000 0.982 46 Y HN -0.192 nan 8.280 nan 0.000 0.515 47 V N 0.674 120.708 119.914 0.201 0.000 2.287 47 V HA -0.350 3.770 4.120 0.001 0.000 0.248 47 V C 2.475 178.493 176.094 -0.127 0.000 1.053 47 V CA 2.184 64.522 62.300 0.064 0.000 1.027 47 V CB -0.867 30.969 31.823 0.021 0.000 0.646 47 V HN 0.458 nan 8.190 nan 0.000 0.447 48 L N -0.838 120.320 121.223 -0.108 0.000 2.093 48 L HA -0.164 4.176 4.340 0.001 0.000 0.208 48 L C 2.459 179.422 176.870 0.154 0.000 1.085 48 L CA 1.051 55.893 54.840 0.003 0.000 0.755 48 L CB -0.607 41.566 42.059 0.190 0.000 0.904 48 L HN 0.346 nan 8.230 nan 0.000 0.435 49 L N -0.210 121.104 121.223 0.151 0.000 2.012 49 L HA -0.235 4.106 4.340 0.001 0.000 0.210 49 L C 2.560 179.367 176.870 -0.105 0.000 1.073 49 L CA 1.847 56.717 54.840 0.050 0.000 0.748 49 L CB -0.664 41.272 42.059 -0.206 0.000 0.891 49 L HN 0.250 nan 8.230 nan 0.000 0.431 50 C N -0.832 118.368 119.300 -0.167 0.000 2.425 50 C HA -0.179 4.282 4.460 0.001 0.000 0.277 50 C C 2.693 177.663 174.990 -0.034 0.000 1.280 50 C CA 0.970 59.942 59.018 -0.076 0.000 1.744 50 C CB -1.486 26.229 27.740 -0.041 0.000 1.989 50 C HN 0.795 nan 8.230 nan 0.000 0.491 51 H N 1.191 120.194 119.070 -0.110 0.000 2.321 51 H HA -0.086 4.471 4.556 0.001 0.000 0.300 51 H C 1.969 177.228 175.328 -0.115 0.000 1.087 51 H CA 1.827 57.841 56.048 -0.056 0.000 1.319 51 H CB -0.277 29.395 29.762 -0.150 0.000 1.379 51 H HN 0.245 nan 8.280 nan 0.000 0.501 52 I N 0.538 120.920 120.570 -0.313 0.000 2.163 52 I HA -0.229 3.942 4.170 0.001 0.000 0.243 52 I C 2.087 177.810 176.117 -0.657 0.000 1.085 52 I CA 1.200 62.104 61.300 -0.660 0.000 1.347 52 I CB -1.080 36.656 38.000 -0.440 0.000 1.044 52 I HN 0.354 nan 8.210 nan 0.000 0.408 53 L N 0.226 121.230 121.223 -0.364 0.000 2.627 53 L HA -0.003 4.337 4.340 0.001 0.000 0.233 53 L C 0.363 177.066 176.870 -0.279 0.000 1.144 53 L CA 0.133 54.799 54.840 -0.290 0.000 0.892 53 L CB -0.673 41.246 42.059 -0.234 0.000 1.039 53 L HN 0.267 nan 8.230 nan 0.000 0.442 54 D N 1.728 121.973 120.400 -0.258 0.000 2.708 54 D HA -0.236 4.405 4.640 0.001 0.000 0.236 54 D C 0.236 176.461 176.300 -0.125 0.000 1.146 54 D CA 0.720 54.623 54.000 -0.162 0.000 0.662 54 D CB -0.314 40.393 40.800 -0.154 0.000 1.059 54 D HN 0.348 nan 8.370 nan 0.000 0.428 55 R N 0.028 120.458 120.500 -0.115 0.000 2.629 55 R HA 0.355 4.696 4.340 0.001 0.000 0.277 55 R C -0.824 175.517 176.300 0.069 0.000 1.637 55 R CA -0.691 55.361 56.100 -0.080 0.000 1.663 55 R CB 1.323 31.436 30.300 -0.312 0.000 1.228 55 R HN -0.028 nan 8.270 nan 0.000 0.632 56 V N 0.998 120.965 119.914 0.089 0.000 2.481 56 V HA 0.193 4.313 4.120 0.001 0.000 0.286 56 V C -0.101 176.060 176.094 0.112 0.000 1.042 56 V CA -0.501 61.881 62.300 0.136 0.000 0.928 56 V CB 1.836 33.776 31.823 0.195 0.000 0.986 56 V HN 0.389 nan 8.190 nan 0.000 0.462 57 D N 3.332 123.796 120.400 0.107 0.000 2.462 57 D HA 0.343 4.984 4.640 0.001 0.000 0.245 57 D C 1.169 177.499 176.300 0.051 0.000 1.122 57 D CA -0.582 53.458 54.000 0.066 0.000 0.864 57 D CB 0.952 41.778 40.800 0.043 0.000 1.098 57 D HN 0.240 nan 8.370 nan 0.000 0.541 58 R N 2.387 122.918 120.500 0.051 0.000 2.113 58 R HA -0.183 4.158 4.340 0.001 0.000 0.244 58 R C 1.367 177.684 176.300 0.029 0.000 1.142 58 R CA 1.325 57.452 56.100 0.045 0.000 0.953 58 R CB -0.535 29.787 30.300 0.037 0.000 0.860 58 R HN 0.664 nan 8.270 nan 0.000 0.438 59 D N 0.349 120.756 120.400 0.012 0.000 2.123 59 D HA -0.203 4.437 4.640 0.001 0.000 0.196 59 D C 1.925 178.204 176.300 -0.035 0.000 0.992 59 D CA 1.269 55.266 54.000 -0.005 0.000 0.833 59 D CB 0.103 40.895 40.800 -0.014 0.000 0.954 59 D HN 0.009 nan 8.370 nan 0.000 0.455 60 R N -0.085 120.368 120.500 -0.077 0.000 2.075 60 R HA -0.039 4.302 4.340 0.001 0.000 0.232 60 R C 2.431 178.681 176.300 -0.083 0.000 1.126 60 R CA 1.068 57.056 56.100 -0.187 0.000 0.963 60 R CB -0.602 29.526 30.300 -0.286 0.000 0.858 60 R HN 0.138 nan 8.270 nan 0.000 0.435 61 M N 0.983 120.590 119.600 0.012 0.000 2.106 61 M HA -0.173 4.308 4.480 0.001 0.000 0.259 61 M C 1.803 178.162 176.300 0.098 0.000 1.068 61 M CA 1.676 57.028 55.300 0.086 0.000 1.100 61 M CB -1.000 31.670 32.600 0.116 0.000 1.351 61 M HN 0.154 nan 8.290 nan 0.000 0.404 62 E N 0.662 120.908 120.200 0.076 0.000 2.058 62 E HA -0.177 4.173 4.350 0.001 0.000 0.194 62 E C 2.001 178.678 176.600 0.128 0.000 0.997 62 E CA 1.268 57.725 56.400 0.094 0.000 0.801 62 E CB -0.402 29.340 29.700 0.071 0.000 0.746 62 E HN 0.558 nan 8.360 nan 0.000 0.450 63 K N 0.275 120.738 120.400 0.105 0.000 2.152 63 K HA -0.067 4.253 4.320 0.001 0.000 0.206 63 K C 2.248 179.002 176.600 0.255 0.000 1.048 63 K CA 0.890 57.271 56.287 0.157 0.000 0.933 63 K CB -0.121 32.444 32.500 0.107 0.000 0.721 63 K HN 0.155 nan 8.250 nan 0.000 0.447 64 I N 0.181 120.894 120.570 0.238 0.000 2.500 64 I HA -0.172 3.999 4.170 0.001 0.000 0.252 64 I C 2.594 178.893 176.117 0.304 0.000 1.142 64 I CA 0.639 62.126 61.300 0.311 0.000 1.451 64 I CB -0.138 38.020 38.000 0.264 0.000 1.093 64 I HN 0.122 nan 8.210 nan 0.000 0.430 65 R N 1.453 122.093 120.500 0.232 0.000 2.066 65 R HA -0.114 4.227 4.340 0.001 0.000 0.232 65 R C 2.509 178.955 176.300 0.244 0.000 1.131 65 R CA 1.292 57.515 56.100 0.205 0.000 0.955 65 R CB -0.041 30.354 30.300 0.158 0.000 0.851 65 R HN 0.235 nan 8.270 nan 0.000 0.432 66 R N -0.731 119.935 120.500 0.276 0.000 2.083 66 R HA -0.230 4.111 4.340 0.001 0.000 0.237 66 R C 2.297 178.855 176.300 0.431 0.000 1.137 66 R CA 1.953 58.251 56.100 0.330 0.000 0.951 66 R CB -0.825 29.708 30.300 0.389 0.000 0.851 66 R HN 0.317 nan 8.270 nan 0.000 0.434 67 Y N 2.017 122.532 120.300 0.358 0.000 2.070 67 Y HA -0.238 4.313 4.550 0.001 0.000 0.280 67 Y C 2.070 178.135 175.900 0.276 0.000 1.148 67 Y CA 1.559 59.866 58.100 0.344 0.000 1.125 67 Y CB -0.548 38.044 38.460 0.220 0.000 0.975 67 Y HN -0.072 nan 8.280 nan 0.000 0.492 68 L N -0.640 120.662 121.223 0.132 0.000 1.978 68 L HA -0.321 4.020 4.340 0.001 0.000 0.218 68 L C 2.526 179.562 176.870 0.278 0.000 1.075 68 L CA 1.321 56.174 54.840 0.021 0.000 0.767 68 L CB -0.988 41.097 42.059 0.043 0.000 0.890 68 L HN 0.306 nan 8.230 nan 0.000 0.434 69 L N -0.749 120.639 121.223 0.275 0.000 2.042 69 L HA -0.279 4.062 4.340 0.001 0.000 0.210 69 L C 2.691 179.659 176.870 0.163 0.000 1.076 69 L CA 1.915 56.906 54.840 0.251 0.000 0.749 69 L CB -1.778 40.379 42.059 0.164 0.000 0.893 69 L HN 0.458 nan 8.230 nan 0.000 0.432 70 H N 0.961 120.035 119.070 0.007 0.000 2.319 70 H HA -0.164 4.392 4.556 0.001 0.000 0.297 70 H C 1.722 176.992 175.328 -0.098 0.000 1.097 70 H CA 1.608 57.584 56.048 -0.119 0.000 1.285 70 H CB 0.330 29.936 29.762 -0.259 0.000 1.368 70 H HN 0.288 nan 8.280 nan 0.000 0.495 71 E N 0.975 121.286 120.200 0.186 0.000 2.478 71 E HA -0.083 4.267 4.350 0.001 0.000 0.198 71 E C 0.741 177.437 176.600 0.160 0.000 1.046 71 E CA 0.122 56.621 56.400 0.165 0.000 0.870 71 E CB -0.160 29.538 29.700 -0.003 0.000 0.818 71 E HN 0.602 nan 8.360 nan 0.000 0.527 72 Q N 1.267 121.100 119.800 0.055 0.000 2.286 72 Q HA 0.168 4.509 4.340 0.001 0.000 0.257 72 Q C -0.372 175.387 176.000 -0.401 0.000 0.941 72 Q CA -0.354 55.112 55.803 -0.560 0.000 0.912 72 Q CB 0.649 29.083 28.738 -0.507 0.000 1.192 72 Q HN -0.141 nan 8.270 nan 0.000 0.410 73 R N 1.758 121.973 120.500 -0.475 0.000 2.517 73 R HA 0.125 4.466 4.340 0.001 0.000 0.250 73 R C 1.282 177.405 176.300 -0.294 0.000 1.213 73 R CA -0.511 55.398 56.100 -0.318 0.000 1.146 73 R CB 0.236 30.362 30.300 -0.290 0.000 1.279 73 R HN 0.666 nan 8.270 nan 0.000 0.597 74 E N 1.251 121.317 120.200 -0.222 0.000 2.035 74 E HA -0.257 4.093 4.350 0.001 0.000 0.204 74 E C 1.281 177.761 176.600 -0.200 0.000 1.025 74 E CA 2.342 58.633 56.400 -0.183 0.000 0.835 74 E CB -0.474 29.140 29.700 -0.144 0.000 0.764 74 E HN 0.725 nan 8.360 nan 0.000 0.457 75 D N -0.692 119.574 120.400 -0.223 0.000 2.354 75 D HA -0.057 4.584 4.640 0.001 0.000 0.216 75 D C 1.123 177.257 176.300 -0.278 0.000 0.970 75 D CA 1.118 54.979 54.000 -0.233 0.000 0.905 75 D CB -0.394 40.242 40.800 -0.273 0.000 0.903 75 D HN 0.351 nan 8.370 nan 0.000 0.508 76 G N -0.311 108.277 108.800 -0.353 0.000 2.204 76 G HA2 -0.196 3.764 3.960 0.001 0.000 0.244 76 G HA3 -0.196 3.764 3.960 0.001 0.000 0.244 76 G C 0.288 174.807 174.900 -0.635 0.000 1.062 76 G CA 0.502 45.341 45.100 -0.434 0.000 0.798 76 G HN 0.869 nan 8.290 nan 0.000 0.496 77 T N -3.518 110.596 114.554 -0.733 0.000 2.773 77 T HA 0.812 5.163 4.350 0.001 0.000 0.278 77 T C -0.673 173.553 174.700 -0.790 0.000 1.011 77 T CA -1.024 60.663 62.100 -0.688 0.000 1.014 77 T CB 2.325 70.792 68.868 -0.668 0.000 1.293 77 T HN 0.598 nan 8.240 nan 0.000 0.554 78 W N 0.203 121.459 121.300 -0.074 0.000 2.957 78 W HA 0.690 5.351 4.660 0.001 0.000 0.336 78 W C -0.343 176.165 176.519 -0.017 0.000 1.087 78 W CA -1.142 56.181 57.345 -0.038 0.000 1.235 78 W CB 2.139 31.605 29.460 0.009 0.000 1.399 78 W HN 1.096 nan 8.180 nan 0.000 0.480 79 A N 2.558 125.467 122.820 0.148 0.000 2.299 79 A HA 0.647 4.968 4.320 0.001 0.000 0.332 79 A C 0.666 178.360 177.584 0.182 0.000 1.131 79 A CA -0.557 51.526 52.037 0.078 0.000 0.844 79 A CB 1.232 20.143 19.000 -0.150 0.000 1.251 79 A HN 0.706 nan 8.150 nan 0.000 0.486 80 L N -0.583 120.806 121.223 0.276 0.000 2.141 80 L HA -0.006 4.335 4.340 0.001 0.000 0.209 80 L C 0.351 177.578 176.870 0.594 0.000 1.094 80 L CA 1.131 56.251 54.840 0.468 0.000 0.763 80 L CB -0.694 41.762 42.059 0.660 0.000 0.908 80 L HN 0.798 nan 8.230 nan 0.000 0.437 81 Y N -2.910 117.546 120.300 0.261 0.000 2.581 81 Y HA 0.645 5.196 4.550 0.001 0.000 0.345 81 Y C -2.887 172.949 175.900 -0.107 0.000 1.036 81 Y CA -4.294 53.869 58.100 0.105 0.000 1.042 81 Y CB -0.467 38.064 38.460 0.118 0.000 1.289 81 Y HN -0.260 nan 8.280 nan 0.000 0.471 82 P HA 0.180 nan 4.420 nan 0.000 0.267 82 P C 0.674 177.904 177.300 -0.117 0.000 1.205 82 P CA 1.455 64.417 63.100 -0.230 0.000 0.765 82 P CB 0.982 32.499 31.700 -0.304 0.000 0.828 83 G N 1.940 110.652 108.800 -0.146 0.000 2.143 83 G HA2 -0.148 3.813 3.960 0.001 0.000 0.248 83 G HA3 -0.148 3.813 3.960 0.001 0.000 0.248 83 G C 0.440 175.177 174.900 -0.271 0.000 0.991 83 G CA -0.112 44.928 45.100 -0.100 0.000 0.689 83 G HN 0.915 nan 8.290 nan 0.000 0.522 84 G N -0.242 108.206 108.800 -0.586 0.000 2.491 84 G HA2 0.800 4.761 3.960 0.001 0.000 0.327 84 G HA3 0.800 4.761 3.960 0.001 0.000 0.327 84 G C -1.762 172.883 174.900 -0.425 0.000 1.189 84 G CA -0.775 43.771 45.100 -0.923 0.000 0.956 84 G HN 0.251 nan 8.290 nan 0.000 0.491 85 P HA 0.195 nan 4.420 nan 0.000 0.272 85 P C -2.585 174.677 177.300 -0.064 0.000 1.223 85 P CA -1.036 62.015 63.100 -0.082 0.000 0.784 85 P CB 0.623 32.349 31.700 0.044 0.000 0.923 86 P HA 0.021 nan 4.420 nan 0.000 0.266 86 P C -0.321 177.098 177.300 0.198 0.000 1.215 86 P CA 0.457 63.481 63.100 -0.127 0.000 0.763 86 P CB 0.483 31.788 31.700 -0.659 0.000 0.806 87 D N 3.477 124.023 120.400 0.243 0.000 2.249 87 D HA 0.038 4.678 4.640 0.001 0.000 0.246 87 D C 1.066 177.599 176.300 0.388 0.000 1.114 87 D CA -0.531 53.656 54.000 0.312 0.000 0.854 87 D CB 1.324 42.290 40.800 0.276 0.000 1.132 87 D HN 0.079 nan 8.370 nan 0.000 0.461 88 L N 5.212 126.615 121.223 0.300 0.000 1.961 88 L HA -0.159 4.182 4.340 0.001 0.000 0.210 88 L C 1.586 178.534 176.870 0.130 0.000 1.072 88 L CA 1.858 56.793 54.840 0.158 0.000 0.749 88 L CB -0.552 41.496 42.059 -0.019 0.000 0.889 88 L HN 0.458 nan 8.230 nan 0.000 0.432 89 D N -0.801 119.648 120.400 0.082 0.000 2.137 89 D HA -0.241 4.400 4.640 0.001 0.000 0.189 89 D C 1.949 178.277 176.300 0.045 0.000 0.998 89 D CA 2.404 56.418 54.000 0.022 0.000 0.839 89 D CB -0.639 40.142 40.800 -0.032 0.000 0.962 89 D HN 0.421 nan 8.370 nan 0.000 0.446 90 T N 0.782 115.396 114.554 0.101 0.000 2.685 90 T HA -0.153 4.198 4.350 0.001 0.000 0.268 90 T C 2.072 176.847 174.700 0.124 0.000 1.034 90 T CA 2.007 64.168 62.100 0.101 0.000 1.149 90 T CB -0.538 68.449 68.868 0.197 0.000 0.860 90 T HN 0.199 nan 8.240 nan 0.000 0.449 91 T N 1.883 116.620 114.554 0.304 0.000 2.812 91 T HA 0.097 4.448 4.350 0.001 0.000 0.264 91 T C 2.013 176.893 174.700 0.300 0.000 1.042 91 T CA 0.772 63.177 62.100 0.508 0.000 1.140 91 T CB -0.356 68.874 68.868 0.604 0.000 0.870 91 T HN 0.337 nan 8.240 nan 0.000 0.445 92 I N 1.206 121.880 120.570 0.172 0.000 2.127 92 I HA -0.211 3.959 4.170 0.001 0.000 0.241 92 I C 2.665 178.837 176.117 0.093 0.000 1.075 92 I CA 1.592 62.962 61.300 0.117 0.000 1.334 92 I CB -0.479 37.532 38.000 0.018 0.000 1.040 92 I HN 0.319 nan 8.210 nan 0.000 0.405 93 E N 0.882 121.075 120.200 -0.010 0.000 2.118 93 E HA -0.225 4.125 4.350 0.001 0.000 0.195 93 E C 2.307 178.825 176.600 -0.136 0.000 0.992 93 E CA 1.330 57.674 56.400 -0.093 0.000 0.804 93 E CB -0.207 29.385 29.700 -0.180 0.000 0.741 93 E HN 0.542 nan 8.360 nan 0.000 0.458 94 A N 0.628 123.314 122.820 -0.224 0.000 1.930 94 A HA -0.197 4.123 4.320 0.001 0.000 0.217 94 A C 1.993 179.447 177.584 -0.216 0.000 1.175 94 A CA 1.169 52.920 52.037 -0.477 0.000 0.627 94 A CB -0.610 17.596 19.000 -1.323 0.000 0.815 94 A HN 0.377 nan 8.150 nan 0.000 0.443 95 Y N 0.798 121.047 120.300 -0.084 0.000 2.133 95 Y HA -0.171 4.380 4.550 0.001 0.000 0.287 95 Y C 2.340 178.267 175.900 0.045 0.000 1.134 95 Y CA 1.917 60.064 58.100 0.078 0.000 1.133 95 Y CB -0.473 38.071 38.460 0.139 0.000 0.987 95 Y HN 0.059 nan 8.280 nan 0.000 0.502 96 V N 0.699 120.603 119.914 -0.018 0.000 2.332 96 V HA -0.341 3.779 4.120 0.001 0.000 0.248 96 V C 2.706 178.755 176.094 -0.075 0.000 1.055 96 V CA 1.816 64.067 62.300 -0.082 0.000 1.038 96 V CB -1.769 30.059 31.823 0.009 0.000 0.651 96 V HN 0.562 nan 8.190 nan 0.000 0.450 97 A N 0.021 122.797 122.820 -0.073 0.000 1.865 97 A HA -0.182 4.138 4.320 0.001 0.000 0.217 97 A C 2.241 179.839 177.584 0.023 0.000 1.191 97 A CA 2.042 54.054 52.037 -0.042 0.000 0.623 97 A CB -0.615 18.339 19.000 -0.077 0.000 0.826 97 A HN 0.485 nan 8.150 nan 0.000 0.444 98 L N -0.702 120.507 121.223 -0.023 0.000 1.970 98 L HA -0.244 4.097 4.340 0.001 0.000 0.212 98 L C 2.674 179.537 176.870 -0.012 0.000 1.071 98 L CA 2.149 56.996 54.840 0.013 0.000 0.751 98 L CB -0.518 41.564 42.059 0.038 0.000 0.889 98 L HN 0.459 nan 8.230 nan 0.000 0.432 99 K N -0.796 119.524 120.400 -0.133 0.000 2.218 99 K HA -0.270 4.050 4.320 0.001 0.000 0.205 99 K C 2.188 178.768 176.600 -0.034 0.000 1.046 99 K CA 1.610 57.813 56.287 -0.141 0.000 0.933 99 K CB -0.173 32.141 32.500 -0.310 0.000 0.728 99 K HN 0.241 nan 8.250 nan 0.000 0.454 100 Y N 0.740 120.978 120.300 -0.102 0.000 2.286 100 Y HA -0.012 4.538 4.550 0.001 0.000 0.293 100 Y C 1.566 177.446 175.900 -0.033 0.000 1.124 100 Y CA 1.073 59.129 58.100 -0.072 0.000 1.178 100 Y CB 0.093 38.504 38.460 -0.082 0.000 1.010 100 Y HN -0.022 nan 8.280 nan 0.000 0.536 101 I N -0.768 119.915 120.570 0.189 0.000 2.394 101 I HA -0.110 4.061 4.170 0.001 0.000 0.251 101 I C 2.018 178.146 176.117 0.018 0.000 1.136 101 I CA 1.683 63.062 61.300 0.133 0.000 1.425 101 I CB -0.333 37.754 38.000 0.146 0.000 1.079 101 I HN 0.485 nan 8.210 nan 0.000 0.425 102 G N -1.134 107.663 108.800 -0.005 0.000 3.609 102 G HA2 -0.049 3.912 3.960 0.001 0.000 0.219 102 G HA3 -0.049 3.912 3.960 0.001 0.000 0.219 102 G C 0.394 175.292 174.900 -0.004 0.000 0.951 102 G CA -0.631 44.458 45.100 -0.018 0.000 0.867 102 G HN -0.081 nan 8.290 nan 0.000 0.478 103 M N 2.591 122.199 119.600 0.012 0.000 2.234 103 M HA 0.308 4.789 4.480 0.001 0.000 0.326 103 M C 0.937 177.239 176.300 0.003 0.000 1.077 103 M CA 0.462 55.775 55.300 0.021 0.000 1.052 103 M CB 0.346 32.967 32.600 0.035 0.000 1.607 103 M HN 0.596 nan 8.290 nan 0.000 0.445 104 S N 2.516 118.232 115.700 0.027 0.000 2.509 104 S HA 0.510 4.981 4.470 0.001 0.000 0.297 104 S C 0.792 175.433 174.600 0.068 0.000 1.118 104 S CA -1.072 57.147 58.200 0.033 0.000 1.074 104 S CB 1.546 64.767 63.200 0.035 0.000 1.038 104 S HN 0.758 nan 8.310 nan 0.000 0.498 105 R N 1.145 121.698 120.500 0.088 0.000 2.355 105 R HA -0.101 4.240 4.340 0.001 0.000 0.219 105 R C 0.136 176.516 176.300 0.134 0.000 1.107 105 R CA 1.441 57.641 56.100 0.166 0.000 1.021 105 R CB -0.609 29.803 30.300 0.186 0.000 0.852 105 R HN 0.598 nan 8.270 nan 0.000 0.475 106 D N 1.504 121.958 120.400 0.091 0.000 2.149 106 D HA -0.058 4.583 4.640 0.001 0.000 0.206 106 D C 0.078 176.419 176.300 0.068 0.000 0.967 106 D CA 0.571 54.614 54.000 0.071 0.000 0.848 106 D CB -0.149 40.683 40.800 0.053 0.000 0.998 106 D HN 0.383 nan 8.370 nan 0.000 0.474 107 E N 1.616 121.857 120.200 0.068 0.000 2.604 107 E HA -0.114 4.236 4.350 0.001 0.000 0.267 107 E C 0.964 177.604 176.600 0.067 0.000 0.970 107 E CA 0.116 56.553 56.400 0.062 0.000 0.956 107 E CB 0.892 30.631 29.700 0.065 0.000 0.939 107 E HN 0.212 nan 8.360 nan 0.000 0.465 108 E N 3.591 123.818 120.200 0.044 0.000 2.086 108 E HA -0.221 4.129 4.350 0.001 0.000 0.200 108 E C -0.819 175.803 176.600 0.035 0.000 1.012 108 E CA 1.564 57.983 56.400 0.030 0.000 0.812 108 E CB -0.470 29.235 29.700 0.009 0.000 0.743 108 E HN 0.385 nan 8.360 nan 0.000 0.453 109 P HA -0.200 nan 4.420 nan 0.000 0.217 109 P C 1.176 178.548 177.300 0.120 0.000 1.148 109 P CA 1.509 64.640 63.100 0.052 0.000 0.828 109 P CB 0.032 31.782 31.700 0.084 0.000 0.783 110 M N -1.715 117.990 119.600 0.175 0.000 2.193 110 M HA -0.064 4.417 4.480 0.001 0.000 0.265 110 M C 2.025 178.441 176.300 0.194 0.000 1.071 110 M CA 1.503 56.984 55.300 0.302 0.000 1.140 110 M CB -1.571 31.224 32.600 0.325 0.000 1.369 110 M HN -0.001 nan 8.290 nan 0.000 0.423 111 Q N 1.138 121.005 119.800 0.113 0.000 1.975 111 Q HA -0.158 4.182 4.340 0.001 0.000 0.205 111 Q C 2.069 178.084 176.000 0.025 0.000 0.990 111 Q CA 1.635 57.474 55.803 0.060 0.000 0.845 111 Q CB -0.556 28.208 28.738 0.044 0.000 0.913 111 Q HN 0.529 nan 8.270 nan 0.000 0.420 112 K N 0.257 120.662 120.400 0.008 0.000 2.103 112 K HA -0.130 4.191 4.320 0.001 0.000 0.207 112 K C 2.080 178.674 176.600 -0.009 0.000 1.048 112 K CA 1.264 57.539 56.287 -0.019 0.000 0.930 112 K CB -0.177 32.283 32.500 -0.066 0.000 0.716 112 K HN 0.179 nan 8.250 nan 0.000 0.444 113 A N 1.537 124.354 122.820 -0.004 0.000 1.873 113 A HA -0.116 4.205 4.320 0.001 0.000 0.215 113 A C 2.124 179.695 177.584 -0.021 0.000 1.186 113 A CA 0.946 53.004 52.037 0.035 0.000 0.616 113 A CB -0.615 18.475 19.000 0.149 0.000 0.823 113 A HN 0.271 nan 8.150 nan 0.000 0.442 114 L N -0.552 120.567 121.223 -0.172 0.000 2.012 114 L HA -0.223 4.117 4.340 0.001 0.000 0.210 114 L C 2.811 179.599 176.870 -0.137 0.000 1.073 114 L CA 1.518 56.158 54.840 -0.333 0.000 0.748 114 L CB -0.313 41.581 42.059 -0.275 0.000 0.891 114 L HN 0.366 nan 8.230 nan 0.000 0.431 115 R N -0.924 119.552 120.500 -0.040 0.000 2.091 115 R HA -0.235 4.106 4.340 0.001 0.000 0.238 115 R C 2.220 178.540 176.300 0.033 0.000 1.136 115 R CA 1.887 57.987 56.100 -0.001 0.000 0.959 115 R CB -0.744 29.570 30.300 0.023 0.000 0.856 115 R HN 0.367 nan 8.270 nan 0.000 0.437 116 F N 1.766 121.670 119.950 -0.077 0.000 2.134 116 F HA -0.114 4.413 4.527 0.001 0.000 0.299 116 F C 2.020 177.789 175.800 -0.053 0.000 1.097 116 F CA 1.127 59.092 58.000 -0.058 0.000 1.264 116 F CB -0.268 38.696 39.000 -0.059 0.000 1.001 116 F HN -0.132 nan 8.300 nan 0.000 0.479 117 I N 0.096 120.525 120.570 -0.234 0.000 2.286 117 I HA -0.311 3.860 4.170 0.001 0.000 0.248 117 I C 2.256 178.212 176.117 -0.268 0.000 1.115 117 I CA 1.382 62.489 61.300 -0.322 0.000 1.392 117 I CB -0.607 37.262 38.000 -0.217 0.000 1.065 117 I HN 0.284 nan 8.210 nan 0.000 0.418 118 Q N 0.372 120.064 119.800 -0.181 0.000 2.123 118 Q HA -0.116 4.225 4.340 0.001 0.000 0.199 118 Q C 2.172 178.102 176.000 -0.115 0.000 0.966 118 Q CA 1.692 57.425 55.803 -0.118 0.000 0.845 118 Q CB -0.153 28.544 28.738 -0.067 0.000 0.907 118 Q HN 0.550 nan 8.270 nan 0.000 0.439 119 S N 0.155 115.777 115.700 -0.130 0.000 2.653 119 S HA -0.024 4.446 4.470 0.001 0.000 0.233 119 S C 1.248 175.758 174.600 -0.151 0.000 0.970 119 S CA 0.434 58.576 58.200 -0.097 0.000 0.947 119 S CB 0.181 63.363 63.200 -0.030 0.000 0.771 119 S HN 0.203 nan 8.310 nan 0.000 0.538 120 Q N -0.292 119.371 119.800 -0.228 0.000 2.164 120 Q HA 0.327 4.668 4.340 0.001 0.000 0.226 120 Q C 1.259 177.179 176.000 -0.133 0.000 0.813 120 Q CA 0.607 56.278 55.803 -0.220 0.000 0.978 120 Q CB 0.931 29.431 28.738 -0.396 0.000 1.149 120 Q HN 0.686 nan 8.270 nan 0.000 0.489 121 G N -0.063 108.676 108.800 -0.102 0.000 2.218 121 G HA2 -0.120 3.841 3.960 0.001 0.000 0.216 121 G HA3 -0.120 3.841 3.960 0.001 0.000 0.216 121 G C 0.617 175.484 174.900 -0.054 0.000 0.994 121 G CA 0.123 45.190 45.100 -0.054 0.000 0.637 121 G HN 0.831 nan 8.290 nan 0.000 0.505 122 G N -0.460 108.277 108.800 -0.105 0.000 2.545 122 G HA2 -0.026 3.934 3.960 0.001 0.000 0.216 122 G HA3 -0.026 3.934 3.960 0.001 0.000 0.216 122 G C 0.938 175.755 174.900 -0.139 0.000 1.314 122 G CA 0.390 45.420 45.100 -0.117 0.000 0.906 122 G HN 1.383 nan 8.290 nan 0.000 0.563 123 I N 0.729 121.183 120.570 -0.194 0.000 2.454 123 I HA -0.075 4.096 4.170 0.001 0.000 0.254 123 I C 2.182 178.190 176.117 -0.182 0.000 1.156 123 I CA 2.156 63.309 61.300 -0.246 0.000 1.433 123 I CB -0.171 37.574 38.000 -0.425 0.000 1.082 123 I HN 0.525 nan 8.210 nan 0.000 0.432 124 E N 0.641 120.807 120.200 -0.057 0.000 2.515 124 E HA -0.077 4.274 4.350 0.001 0.000 0.201 124 E C 1.443 178.036 176.600 -0.012 0.000 1.071 124 E CA 0.483 56.897 56.400 0.023 0.000 0.880 124 E CB 0.004 29.769 29.700 0.108 0.000 0.828 124 E HN 0.433 nan 8.360 nan 0.000 0.540 125 S N 0.074 115.742 115.700 -0.053 0.000 2.650 125 S HA 0.066 4.537 4.470 0.001 0.000 0.240 125 S C 0.485 175.052 174.600 -0.056 0.000 1.007 125 S CA -0.329 57.846 58.200 -0.043 0.000 0.984 125 S CB 0.519 63.688 63.200 -0.051 0.000 0.910 125 S HN 0.195 nan 8.310 nan 0.000 0.509 126 S N 2.204 117.850 115.700 -0.090 0.000 2.654 126 S HA 0.571 5.041 4.470 0.001 0.000 0.283 126 S C 0.286 174.833 174.600 -0.088 0.000 1.180 126 S CA -1.086 57.059 58.200 -0.092 0.000 1.021 126 S CB 0.934 64.055 63.200 -0.133 0.000 1.018 126 S HN 0.538 nan 8.310 nan 0.000 0.532 127 R N 0.534 120.986 120.500 -0.080 0.000 2.944 127 R HA 0.208 4.549 4.340 0.001 0.000 0.279 127 R C 0.750 176.972 176.300 -0.130 0.000 1.048 127 R CA -0.527 55.516 56.100 -0.094 0.000 1.196 127 R CB -0.383 29.838 30.300 -0.131 0.000 1.134 127 R HN 0.397 nan 8.270 nan 0.000 0.525 128 V N 0.080 119.868 119.914 -0.210 0.000 2.295 128 V HA -0.240 3.881 4.120 0.001 0.000 0.246 128 V C 2.169 178.157 176.094 -0.176 0.000 1.049 128 V CA 1.752 63.905 62.300 -0.246 0.000 1.024 128 V CB -0.910 30.637 31.823 -0.460 0.000 0.648 128 V HN 0.649 nan 8.190 nan 0.000 0.447 129 F N 1.072 120.968 119.950 -0.091 0.000 2.065 129 F HA -0.225 4.302 4.527 0.001 0.000 0.298 129 F C 2.682 178.576 175.800 0.157 0.000 1.112 129 F CA 2.129 60.170 58.000 0.069 0.000 1.212 129 F CB -1.657 37.370 39.000 0.046 0.000 0.975 129 F HN 0.085 nan 8.300 nan 0.000 0.476 130 T N -0.077 114.588 114.554 0.184 0.000 2.665 130 T HA -0.234 4.117 4.350 0.001 0.000 0.268 130 T C 2.067 176.776 174.700 0.016 0.000 1.035 130 T CA 1.724 63.865 62.100 0.070 0.000 1.151 130 T CB -0.334 68.501 68.868 -0.055 0.000 0.862 130 T HN 0.205 nan 8.240 nan 0.000 0.438 131 R N 0.198 120.625 120.500 -0.122 0.000 2.148 131 R HA 0.110 4.451 4.340 0.001 0.000 0.227 131 R C 2.498 178.727 176.300 -0.118 0.000 1.103 131 R CA 0.975 56.875 56.100 -0.334 0.000 0.983 131 R CB -0.317 29.678 30.300 -0.508 0.000 0.874 131 R HN 0.427 nan 8.270 nan 0.000 0.451 132 M N -0.424 119.158 119.600 -0.030 0.000 2.077 132 M HA -0.158 4.323 4.480 0.001 0.000 0.261 132 M C 1.334 177.561 176.300 -0.121 0.000 1.070 132 M CA 1.788 56.995 55.300 -0.155 0.000 1.125 132 M CB -0.108 32.468 32.600 -0.039 0.000 1.339 132 M HN 0.102 nan 8.290 nan 0.000 0.409 133 W N 0.886 122.195 121.300 0.014 0.000 2.335 133 W HA -0.157 4.504 4.660 0.001 0.000 0.311 133 W C 2.058 178.604 176.519 0.045 0.000 1.213 133 W CA 1.296 58.688 57.345 0.079 0.000 1.274 133 W CB -0.738 28.779 29.460 0.094 0.000 1.148 133 W HN 0.200 nan 8.180 nan 0.000 0.498 134 L N -0.155 121.203 121.223 0.226 0.000 2.265 134 L HA -0.173 4.167 4.340 0.001 0.000 0.215 134 L C 2.424 179.377 176.870 0.138 0.000 1.117 134 L CA 1.072 56.004 54.840 0.153 0.000 0.782 134 L CB -1.021 41.072 42.059 0.057 0.000 0.914 134 L HN 0.028 nan 8.230 nan 0.000 0.441 135 A N -0.299 122.521 122.820 -0.000 0.000 2.021 135 A HA 0.026 4.347 4.320 0.001 0.000 0.216 135 A C 2.154 179.713 177.584 -0.041 0.000 1.163 135 A CA 0.536 52.448 52.037 -0.209 0.000 0.676 135 A CB -0.284 18.191 19.000 -0.875 0.000 0.818 135 A HN 0.337 nan 8.150 nan 0.000 0.453 136 L N 0.101 121.364 121.223 0.066 0.000 2.291 136 L HA -0.085 4.256 4.340 0.001 0.000 0.214 136 L C 2.048 179.150 176.870 0.387 0.000 1.120 136 L CA 1.092 56.127 54.840 0.325 0.000 0.799 136 L CB -0.082 42.130 42.059 0.255 0.000 0.925 136 L HN 0.436 nan 8.230 nan 0.000 0.446 137 V N -4.428 115.681 119.914 0.325 0.000 3.621 137 V HA 0.474 4.595 4.120 0.001 0.000 0.285 137 V C 1.218 177.479 176.094 0.279 0.000 1.346 137 V CA 0.320 62.833 62.300 0.356 0.000 1.104 137 V CB -0.125 31.882 31.823 0.306 0.000 0.913 137 V HN 0.401 nan 8.190 nan 0.000 0.432 138 G N 1.038 109.981 108.800 0.238 0.000 2.149 138 G HA2 -0.186 3.775 3.960 0.001 0.000 0.235 138 G HA3 -0.186 3.775 3.960 0.001 0.000 0.235 138 G C 0.228 175.249 174.900 0.202 0.000 1.018 138 G CA 0.403 45.626 45.100 0.205 0.000 0.728 138 G HN 0.526 nan 8.290 nan 0.000 0.508 139 E N -1.353 118.980 120.200 0.223 0.000 2.538 139 E HA 0.299 4.649 4.350 0.001 0.000 0.207 139 E C -0.352 176.481 176.600 0.388 0.000 1.002 139 E CA -0.162 56.396 56.400 0.264 0.000 0.952 139 E CB 0.693 30.519 29.700 0.210 0.000 1.031 139 E HN 0.649 nan 8.360 nan 0.000 0.476 140 Y N 1.029 121.409 120.300 0.133 0.000 2.424 140 Y HA 0.234 4.785 4.550 0.001 0.000 0.323 140 Y C -2.687 173.234 175.900 0.035 0.000 1.174 140 Y CA -2.341 55.833 58.100 0.123 0.000 1.060 140 Y CB 1.842 40.330 38.460 0.046 0.000 1.314 140 Y HN -0.172 nan 8.280 nan 0.000 0.439 141 P HA 0.021 nan 4.420 nan 0.000 0.271 141 P C 0.077 177.237 177.300 -0.233 0.000 1.220 141 P CA 0.255 63.215 63.100 -0.232 0.000 0.768 141 P CB 0.874 32.436 31.700 -0.230 0.000 0.848 142 W N 1.936 123.195 121.300 -0.068 0.000 2.392 142 W HA -0.104 4.556 4.660 0.001 0.000 0.279 142 W C 2.028 178.587 176.519 0.068 0.000 1.225 142 W CA 1.009 58.359 57.345 0.009 0.000 1.233 142 W CB -0.812 28.640 29.460 -0.013 0.000 1.122 142 W HN 0.419 nan 8.180 nan 0.000 0.561 143 E N 0.278 120.632 120.200 0.257 0.000 2.219 143 E HA -0.196 4.154 4.350 0.001 0.000 0.198 143 E C 1.174 177.876 176.600 0.170 0.000 0.998 143 E CA 1.340 57.910 56.400 0.282 0.000 0.818 143 E CB -0.320 29.455 29.700 0.124 0.000 0.741 143 E HN 0.195 nan 8.360 nan 0.000 0.477 144 K N 0.293 120.717 120.400 0.040 0.000 2.570 144 K HA 0.213 4.533 4.320 0.001 0.000 0.210 144 K C -0.901 175.814 176.600 0.192 0.000 1.048 144 K CA -0.092 56.215 56.287 0.032 0.000 1.167 144 K CB 0.998 33.457 32.500 -0.068 0.000 0.892 144 K HN -0.099 nan 8.250 nan 0.000 0.480 145 V N 2.093 122.185 119.914 0.296 0.000 2.531 145 V HA 0.228 4.349 4.120 0.001 0.000 0.301 145 V C -2.481 173.842 176.094 0.382 0.000 1.034 145 V CA -2.623 59.857 62.300 0.300 0.000 0.865 145 V CB 1.659 33.602 31.823 0.200 0.000 0.995 145 V HN 0.069 nan 8.190 nan 0.000 0.424 146 P HA -0.017 nan 4.420 nan 0.000 0.257 146 P C -0.345 177.111 177.300 0.260 0.000 1.162 146 P CA 0.231 63.523 63.100 0.319 0.000 0.762 146 P CB 0.191 32.079 31.700 0.313 0.000 0.753 147 M N 5.333 125.083 119.600 0.251 0.000 2.211 147 M HA 0.248 4.729 4.480 0.001 0.000 0.356 147 M C -0.953 175.313 176.300 -0.057 0.000 1.216 147 M CA 0.045 55.345 55.300 0.001 0.000 1.134 147 M CB 0.616 33.140 32.600 -0.127 0.000 1.564 147 M HN 0.015 nan 8.290 nan 0.000 0.463 148 V N 8.220 128.033 119.914 -0.169 0.000 2.454 148 V HA 0.400 4.521 4.120 0.001 0.000 0.267 148 V C -2.275 173.697 176.094 -0.203 0.000 0.993 148 V CA -1.192 60.962 62.300 -0.244 0.000 0.836 148 V CB 0.963 32.490 31.823 -0.493 0.000 1.055 148 V HN 0.796 nan 8.190 nan 0.000 0.452 149 P HA 0.237 nan 4.420 nan 0.000 0.271 149 P C -2.425 174.799 177.300 -0.126 0.000 1.216 149 P CA -1.478 61.573 63.100 -0.081 0.000 0.776 149 P CB 1.374 33.091 31.700 0.028 0.000 0.881 150 P HA -0.128 nan 4.420 nan 0.000 0.220 150 P C 1.125 178.290 177.300 -0.226 0.000 1.148 150 P CA 1.319 64.303 63.100 -0.193 0.000 0.803 150 P CB -0.021 31.581 31.700 -0.162 0.000 0.782 151 E N -0.539 119.622 120.200 -0.065 0.000 2.333 151 E HA -0.178 4.173 4.350 0.001 0.000 0.200 151 E C 1.747 178.323 176.600 -0.039 0.000 1.010 151 E CA 0.518 56.959 56.400 0.069 0.000 0.841 151 E CB -1.236 28.631 29.700 0.279 0.000 0.757 151 E HN 0.311 nan 8.360 nan 0.000 0.508 152 I N -0.067 120.425 120.570 -0.131 0.000 2.657 152 I HA -0.248 3.923 4.170 0.001 0.000 0.261 152 I C 1.123 177.096 176.117 -0.240 0.000 1.212 152 I CA 0.877 62.084 61.300 -0.155 0.000 1.453 152 I CB 0.103 37.967 38.000 -0.226 0.000 1.092 152 I HN 0.125 nan 8.210 nan 0.000 0.452 153 M N -0.436 118.931 119.600 -0.388 0.000 2.557 153 M HA -0.065 4.416 4.480 0.001 0.000 0.259 153 M C 1.481 177.563 176.300 -0.364 0.000 1.086 153 M CA 1.146 56.173 55.300 -0.454 0.000 1.096 153 M CB -0.930 31.338 32.600 -0.554 0.000 1.424 153 M HN 0.214 nan 8.290 nan 0.000 0.488 154 F N 0.242 120.145 119.950 -0.079 0.000 2.569 154 F HA 0.166 4.694 4.527 0.001 0.000 0.295 154 F C 1.056 176.830 175.800 -0.043 0.000 1.115 154 F CA -0.377 57.588 58.000 -0.058 0.000 1.450 154 F CB -0.659 38.304 39.000 -0.063 0.000 1.107 154 F HN -0.074 nan 8.300 nan 0.000 0.563 155 L N 0.907 122.197 121.223 0.111 0.000 2.584 155 L HA 0.095 4.435 4.340 0.001 0.000 0.272 155 L C 1.344 178.261 176.870 0.078 0.000 1.195 155 L CA -0.155 54.731 54.840 0.077 0.000 0.920 155 L CB -0.655 41.431 42.059 0.045 0.000 1.173 155 L HN 0.154 nan 8.230 nan 0.000 0.489 156 G N 3.136 111.985 108.800 0.081 0.000 2.647 156 G HA2 -0.001 3.959 3.960 0.001 0.000 0.271 156 G HA3 -0.001 3.959 3.960 0.001 0.000 0.271 156 G C 0.760 175.726 174.900 0.111 0.000 1.300 156 G CA -0.393 44.758 45.100 0.085 0.000 0.997 156 G HN 0.758 nan 8.290 nan 0.000 0.533 157 K N -0.116 120.346 120.400 0.103 0.000 2.057 157 K HA -0.056 4.264 4.320 0.001 0.000 0.206 157 K C 1.446 178.102 176.600 0.093 0.000 1.050 157 K CA 0.967 57.322 56.287 0.112 0.000 0.935 157 K CB -0.011 32.512 32.500 0.037 0.000 0.715 157 K HN 0.429 nan 8.250 nan 0.000 0.439 158 R N 1.347 121.885 120.500 0.064 0.000 3.463 158 R HA 0.329 4.670 4.340 0.001 0.000 0.303 158 R C -0.512 175.819 176.300 0.052 0.000 1.370 158 R CA 0.049 56.181 56.100 0.053 0.000 1.524 158 R CB -0.258 30.062 30.300 0.033 0.000 1.389 158 R HN 0.070 nan 8.270 nan 0.000 0.640 159 M N 1.368 121.008 119.600 0.066 0.000 2.658 159 M HA 0.487 4.968 4.480 0.001 0.000 0.295 159 M C -2.523 173.819 176.300 0.069 0.000 1.248 159 M CA -2.312 53.023 55.300 0.059 0.000 0.843 159 M CB 3.484 36.118 32.600 0.058 0.000 1.749 159 M HN -0.014 nan 8.290 nan 0.000 0.464 160 P HA 0.175 nan 4.420 nan 0.000 0.271 160 P C -0.246 177.114 177.300 0.101 0.000 1.226 160 P CA 0.237 63.382 63.100 0.074 0.000 0.765 160 P CB 0.506 32.247 31.700 0.069 0.000 0.835 161 L N -0.556 120.735 121.223 0.114 0.000 4.089 161 L HA -0.285 4.056 4.340 0.001 0.000 0.408 161 L C 0.447 177.480 176.870 0.271 0.000 1.184 161 L CA 0.300 55.268 54.840 0.212 0.000 0.947 161 L CB -2.201 39.979 42.059 0.201 0.000 2.066 161 L HN 0.563 nan 8.230 nan 0.000 0.851 162 N N 0.704 119.519 118.700 0.192 0.000 2.525 162 N HA 0.350 5.090 4.740 0.001 0.000 0.271 162 N C 1.373 176.942 175.510 0.099 0.000 1.194 162 N CA -0.091 53.026 53.050 0.111 0.000 0.964 162 N CB 0.554 39.119 38.487 0.129 0.000 1.126 162 N HN 0.361 nan 8.380 nan 0.000 0.452 163 I N -2.728 117.717 120.570 -0.209 0.000 2.479 163 I HA -0.280 3.891 4.170 0.001 0.000 0.258 163 I C 0.270 176.212 176.117 -0.291 0.000 1.165 163 I CA 1.376 62.387 61.300 -0.481 0.000 1.422 163 I CB -0.530 36.957 38.000 -0.856 0.000 1.087 163 I HN 0.436 nan 8.210 nan 0.000 0.441 164 Y N 1.468 121.814 120.300 0.076 0.000 2.461 164 Y HA 0.190 4.741 4.550 0.001 0.000 0.277 164 Y C 1.947 177.937 175.900 0.149 0.000 1.182 164 Y CA 0.147 58.324 58.100 0.128 0.000 1.276 164 Y CB -0.246 38.279 38.460 0.109 0.000 1.087 164 Y HN 0.321 nan 8.280 nan 0.000 0.519 165 E N -0.996 119.388 120.200 0.306 0.000 2.476 165 E HA 0.086 4.437 4.350 0.001 0.000 0.199 165 E C -0.357 176.273 176.600 0.050 0.000 1.021 165 E CA -0.010 56.484 56.400 0.157 0.000 0.907 165 E CB 0.299 30.042 29.700 0.072 0.000 0.974 165 E HN 0.159 nan 8.360 nan 0.000 0.489 166 F N 0.892 120.805 119.950 -0.063 0.000 2.380 166 F HA 0.398 4.926 4.527 0.001 0.000 0.319 166 F C 1.417 177.086 175.800 -0.219 0.000 1.113 166 F CA -0.775 57.141 58.000 -0.141 0.000 1.056 166 F CB 0.305 39.209 39.000 -0.160 0.000 1.289 166 F HN -0.226 nan 8.300 nan 0.000 0.515 167 G N -0.188 108.438 108.800 -0.289 0.000 2.483 167 G HA2 0.317 4.278 3.960 0.001 0.000 0.248 167 G HA3 0.317 4.278 3.960 0.001 0.000 0.248 167 G C 0.775 175.327 174.900 -0.580 0.000 1.248 167 G CA 0.073 44.696 45.100 -0.796 0.000 0.838 167 G HN 0.790 nan 8.290 nan 0.000 0.566 168 S N 0.724 116.257 115.700 -0.278 0.000 2.392 168 S HA -0.273 4.198 4.470 0.001 0.000 0.232 168 S C 1.908 176.431 174.600 -0.127 0.000 1.041 168 S CA 2.287 60.449 58.200 -0.063 0.000 1.026 168 S CB -0.707 62.459 63.200 -0.056 0.000 0.845 168 S HN 0.961 nan 8.310 nan 0.000 0.465 169 W N 2.036 123.360 121.300 0.040 0.000 2.409 169 W HA 0.454 5.114 4.660 0.001 0.000 0.299 169 W C 2.445 179.067 176.519 0.172 0.000 1.203 169 W CA 0.460 57.848 57.345 0.072 0.000 1.298 169 W CB -0.942 28.632 29.460 0.190 0.000 1.127 169 W HN 0.297 nan 8.180 nan 0.000 0.528 170 A N 1.380 124.148 122.820 -0.086 0.000 1.929 170 A HA -0.055 4.266 4.320 0.001 0.000 0.216 170 A C 2.255 179.872 177.584 0.054 0.000 1.176 170 A CA 1.559 53.688 52.037 0.154 0.000 0.628 170 A CB -0.909 18.168 19.000 0.129 0.000 0.816 170 A HN 0.393 nan 8.150 nan 0.000 0.444 171 R N -0.068 120.400 120.500 -0.053 0.000 2.122 171 R HA -0.214 4.127 4.340 0.001 0.000 0.236 171 R C 2.309 178.525 176.300 -0.139 0.000 1.129 171 R CA 1.982 57.983 56.100 -0.165 0.000 0.925 171 R CB -0.585 29.693 30.300 -0.036 0.000 0.850 171 R HN 0.404 nan 8.270 nan 0.000 0.431 172 A N -0.130 122.773 122.820 0.138 0.000 1.948 172 A HA -0.194 4.127 4.320 0.001 0.000 0.220 172 A C 2.231 179.905 177.584 0.151 0.000 1.177 172 A CA 2.294 54.515 52.037 0.307 0.000 0.636 172 A CB -0.974 18.250 19.000 0.373 0.000 0.815 172 A HN 0.593 nan 8.150 nan 0.000 0.449 173 T N -0.447 114.209 114.554 0.169 0.000 2.737 173 T HA -0.104 4.247 4.350 0.001 0.000 0.265 173 T C 1.894 176.611 174.700 0.028 0.000 1.038 173 T CA 1.544 63.782 62.100 0.229 0.000 1.144 173 T CB -0.485 68.625 68.868 0.402 0.000 0.866 173 T HN 0.187 nan 8.240 nan 0.000 0.434 174 V N 1.508 121.357 119.914 -0.107 0.000 2.332 174 V HA -0.157 3.964 4.120 0.001 0.000 0.248 174 V C 2.689 178.555 176.094 -0.380 0.000 1.055 174 V CA 1.368 63.467 62.300 -0.334 0.000 1.038 174 V CB -0.826 30.660 31.823 -0.561 0.000 0.651 174 V HN 0.321 nan 8.190 nan 0.000 0.450 175 V N 0.333 120.007 119.914 -0.400 0.000 2.343 175 V HA -0.226 3.895 4.120 0.001 0.000 0.247 175 V C 2.689 178.644 176.094 -0.232 0.000 1.051 175 V CA 1.978 64.029 62.300 -0.414 0.000 1.036 175 V CB -1.174 30.291 31.823 -0.595 0.000 0.654 175 V HN 0.552 nan 8.190 nan 0.000 0.451 176 A N -0.190 122.549 122.820 -0.135 0.000 1.898 176 A HA -0.090 4.231 4.320 0.001 0.000 0.216 176 A C 2.205 179.723 177.584 -0.110 0.000 1.181 176 A CA 1.573 53.554 52.037 -0.094 0.000 0.620 176 A CB -0.492 18.498 19.000 -0.016 0.000 0.819 176 A HN 0.493 nan 8.150 nan 0.000 0.442 177 L N 0.610 121.739 121.223 -0.157 0.000 2.141 177 L HA -0.157 4.183 4.340 0.001 0.000 0.209 177 L C 2.984 179.716 176.870 -0.230 0.000 1.094 177 L CA 1.326 56.038 54.840 -0.214 0.000 0.763 177 L CB -0.552 41.312 42.059 -0.324 0.000 0.908 177 L HN 0.620 nan 8.230 nan 0.000 0.437 178 S N 0.494 116.033 115.700 -0.269 0.000 2.387 178 S HA -0.227 4.243 4.470 0.001 0.000 0.230 178 S C 1.864 176.336 174.600 -0.213 0.000 1.035 178 S CA 1.345 59.388 58.200 -0.262 0.000 1.014 178 S CB -0.723 62.305 63.200 -0.287 0.000 0.836 178 S HN 0.415 nan 8.310 nan 0.000 0.466 179 I N 1.174 121.634 120.570 -0.184 0.000 2.286 179 I HA -0.087 4.083 4.170 0.001 0.000 0.245 179 I C 2.472 178.494 176.117 -0.159 0.000 1.104 179 I CA 0.868 62.075 61.300 -0.156 0.000 1.397 179 I CB -0.512 37.417 38.000 -0.119 0.000 1.072 179 I HN 0.217 nan 8.210 nan 0.000 0.417 180 V N 0.904 120.737 119.914 -0.136 0.000 2.295 180 V HA -0.286 3.835 4.120 0.001 0.000 0.246 180 V C 2.400 178.349 176.094 -0.241 0.000 1.049 180 V CA 1.925 64.153 62.300 -0.120 0.000 1.024 180 V CB -0.547 31.261 31.823 -0.025 0.000 0.648 180 V HN 0.398 nan 8.190 nan 0.000 0.447 181 M N -0.230 119.241 119.600 -0.216 0.000 2.476 181 M HA -0.088 4.393 4.480 0.001 0.000 0.262 181 M C 2.338 178.414 176.300 -0.373 0.000 1.079 181 M CA 1.309 56.429 55.300 -0.300 0.000 1.104 181 M CB -0.450 32.078 32.600 -0.120 0.000 1.409 181 M HN 0.398 nan 8.290 nan 0.000 0.467 182 S N 0.499 116.015 115.700 -0.306 0.000 2.406 182 S HA -0.033 4.438 4.470 0.001 0.000 0.228 182 S C 1.997 176.382 174.600 -0.359 0.000 1.020 182 S CA 0.969 58.990 58.200 -0.298 0.000 0.965 182 S CB 0.088 63.148 63.200 -0.233 0.000 0.798 182 S HN 0.382 nan 8.310 nan 0.000 0.488 183 R N 0.383 120.660 120.500 -0.372 0.000 2.254 183 R HA 0.278 4.619 4.340 0.001 0.000 0.193 183 R C 0.159 176.141 176.300 -0.530 0.000 0.929 183 R CA 0.147 56.020 56.100 -0.378 0.000 1.038 183 R CB -0.661 29.471 30.300 -0.280 0.000 1.009 183 R HN 0.546 nan 8.270 nan 0.000 0.512 184 Q N 1.358 120.684 119.800 -0.790 0.000 2.443 184 Q HA -0.129 4.211 4.340 0.001 0.000 0.337 184 Q C -2.128 173.299 176.000 -0.955 0.000 1.401 184 Q CA 0.047 54.985 55.803 -1.442 0.000 0.943 184 Q CB -1.251 26.684 28.738 -1.339 0.000 1.177 184 Q HN 0.290 nan 8.270 nan 0.000 0.394 185 P HA 0.200 nan 4.420 nan 0.000 0.272 185 P C -0.344 176.751 177.300 -0.342 0.000 1.223 185 P CA -0.113 62.714 63.100 -0.455 0.000 0.784 185 P CB 1.185 32.642 31.700 -0.405 0.000 0.923 186 V N 2.849 122.468 119.914 -0.493 0.000 2.525 186 V HA 0.308 4.429 4.120 0.001 0.000 0.299 186 V C -0.541 175.277 176.094 -0.460 0.000 1.034 186 V CA -0.282 61.871 62.300 -0.245 0.000 0.863 186 V CB 1.180 32.986 31.823 -0.027 0.000 0.999 186 V HN 0.322 nan 8.190 nan 0.000 0.423 187 F N 5.161 125.208 119.950 0.163 0.000 2.366 187 F HA 0.479 5.007 4.527 0.001 0.000 0.357 187 F C -2.221 173.735 175.800 0.260 0.000 1.107 187 F CA -2.765 55.316 58.000 0.134 0.000 1.208 187 F CB 0.993 40.025 39.000 0.054 0.000 1.464 187 F HN 0.300 nan 8.300 nan 0.000 0.501 188 P HA -0.047 nan 4.420 nan 0.000 0.263 188 P C -0.327 177.212 177.300 0.399 0.000 1.168 188 P CA 0.546 63.822 63.100 0.294 0.000 0.759 188 P CB 0.648 32.464 31.700 0.193 0.000 0.782 189 L N 5.321 126.713 121.223 0.282 0.000 2.344 189 L HA 0.480 4.820 4.340 0.001 0.000 0.272 189 L C -1.731 175.220 176.870 0.136 0.000 1.035 189 L CA -2.380 52.573 54.840 0.189 0.000 0.807 189 L CB 1.011 43.144 42.059 0.123 0.000 1.237 189 L HN 0.272 nan 8.230 nan 0.000 0.442 190 P HA 0.030 nan 4.420 nan 0.000 0.269 190 P C -0.194 177.126 177.300 0.032 0.000 1.209 190 P CA -0.186 62.939 63.100 0.042 0.000 0.776 190 P CB 0.880 32.565 31.700 -0.024 0.000 0.876 191 E N 1.309 121.532 120.200 0.038 0.000 2.187 191 E HA -0.221 4.130 4.350 0.001 0.000 0.199 191 E C 2.041 178.656 176.600 0.025 0.000 1.004 191 E CA 1.328 57.752 56.400 0.040 0.000 0.813 191 E CB -0.427 29.295 29.700 0.037 0.000 0.736 191 E HN 0.452 nan 8.360 nan 0.000 0.468 192 R N -0.169 120.330 120.500 -0.001 0.000 2.189 192 R HA 0.010 4.350 4.340 0.001 0.000 0.223 192 R C 1.500 177.784 176.300 -0.026 0.000 1.092 192 R CA 1.164 57.253 56.100 -0.018 0.000 0.989 192 R CB 0.028 30.301 30.300 -0.045 0.000 0.876 192 R HN 0.224 nan 8.270 nan 0.000 0.457 193 A N 0.534 123.339 122.820 -0.025 0.000 2.303 193 A HA 0.183 4.504 4.320 0.001 0.000 0.217 193 A C 0.070 177.679 177.584 0.042 0.000 1.205 193 A CA -0.363 51.669 52.037 -0.008 0.000 0.875 193 A CB 0.185 19.182 19.000 -0.005 0.000 0.910 193 A HN 0.043 nan 8.150 nan 0.000 0.501 194 R N 0.471 121.008 120.500 0.060 0.000 2.537 194 R HA 0.082 4.423 4.340 0.001 0.000 0.281 194 R C 0.054 176.415 176.300 0.102 0.000 0.988 194 R CA 0.493 56.649 56.100 0.094 0.000 1.077 194 R CB -0.233 30.125 30.300 0.096 0.000 0.932 194 R HN 0.378 nan 8.270 nan 0.000 0.409 195 V N 1.475 121.466 119.914 0.128 0.000 2.435 195 V HA 0.222 4.342 4.120 0.001 0.000 0.263 195 V C -1.614 174.582 176.094 0.170 0.000 1.087 195 V CA -1.280 61.111 62.300 0.152 0.000 1.253 195 V CB 1.164 33.079 31.823 0.153 0.000 1.462 195 V HN 0.534 nan 8.190 nan 0.000 0.547 196 P HA -0.102 nan 4.420 nan 0.000 0.225 196 P C 1.368 178.818 177.300 0.250 0.000 1.156 196 P CA 1.231 64.505 63.100 0.289 0.000 0.787 196 P CB 0.402 32.241 31.700 0.231 0.000 0.802 197 E N 1.033 121.337 120.200 0.173 0.000 2.331 197 E HA -0.143 4.207 4.350 0.001 0.000 0.199 197 E C 1.809 178.444 176.600 0.058 0.000 1.008 197 E CA 0.729 57.205 56.400 0.127 0.000 0.843 197 E CB -1.232 28.545 29.700 0.128 0.000 0.761 197 E HN 0.343 nan 8.360 nan 0.000 0.507 198 L N -0.334 120.885 121.223 -0.006 0.000 2.549 198 L HA -0.069 4.271 4.340 0.001 0.000 0.229 198 L C 1.547 178.276 176.870 -0.235 0.000 1.158 198 L CA 0.730 55.473 54.840 -0.163 0.000 0.842 198 L CB -0.381 41.530 42.059 -0.246 0.000 0.952 198 L HN 0.036 nan 8.230 nan 0.000 0.452 199 Y N -0.499 119.832 120.300 0.052 0.000 2.500 199 Y HA 0.074 4.625 4.550 0.001 0.000 0.284 199 Y C 1.111 177.030 175.900 0.033 0.000 1.118 199 Y CA -0.680 57.450 58.100 0.050 0.000 1.241 199 Y CB 0.098 38.600 38.460 0.070 0.000 1.171 199 Y HN 0.061 nan 8.280 nan 0.000 0.540 200 E N 1.783 122.093 120.200 0.183 0.000 2.311 200 E HA 0.097 4.448 4.350 0.001 0.000 0.247 200 E C -0.676 175.962 176.600 0.063 0.000 1.215 200 E CA 0.588 57.053 56.400 0.108 0.000 0.957 200 E CB -0.223 29.529 29.700 0.086 0.000 1.020 200 E HN 0.078 nan 8.360 nan 0.000 0.461 201 T N 1.761 116.351 114.554 0.061 0.000 3.225 201 T HA 0.025 4.376 4.350 0.001 0.000 0.356 201 T C 0.005 174.725 174.700 0.034 0.000 1.460 201 T CA -0.913 61.207 62.100 0.032 0.000 1.126 201 T CB 1.135 70.011 68.868 0.013 0.000 1.321 201 T HN 0.513 nan 8.240 nan 0.000 0.478 202 D N 0.740 121.153 120.400 0.022 0.000 2.366 202 D HA 0.026 4.667 4.640 0.001 0.000 0.205 202 D C 0.788 177.098 176.300 0.017 0.000 1.022 202 D CA 0.205 54.218 54.000 0.022 0.000 0.868 202 D CB 0.114 40.925 40.800 0.019 0.000 0.953 202 D HN 0.306 nan 8.370 nan 0.000 0.514 203 V N 3.911 123.830 119.914 0.009 0.000 2.673 203 V HA 0.097 4.217 4.120 0.001 0.000 0.303 203 V C -1.792 174.308 176.094 0.009 0.000 1.046 203 V CA -0.958 61.344 62.300 0.003 0.000 1.126 203 V CB 0.566 32.381 31.823 -0.013 0.000 0.934 203 V HN 0.157 nan 8.190 nan 0.000 0.487 204 P HA 0.149 nan 4.420 nan 0.000 0.267 204 P C -2.497 174.813 177.300 0.016 0.000 1.205 204 P CA -1.284 61.827 63.100 0.018 0.000 0.765 204 P CB 0.099 31.810 31.700 0.019 0.000 0.828 205 P HA 0.044 nan 4.420 nan 0.000 0.264 205 P C 0.062 177.375 177.300 0.022 0.000 1.229 205 P CA 0.097 63.211 63.100 0.024 0.000 0.780 205 P CB 0.236 31.964 31.700 0.046 0.000 0.808 206 R N 3.660 124.167 120.500 0.011 0.000 3.235 206 R HA 0.318 4.659 4.340 0.001 0.000 0.232 206 R C 0.343 176.655 176.300 0.019 0.000 1.475 206 R CA -0.775 55.335 56.100 0.017 0.000 1.405 206 R CB 0.193 30.501 30.300 0.014 0.000 1.266 206 R HN 0.335 nan 8.270 nan 0.000 0.650 207 R N 1.989 122.505 120.500 0.027 0.000 2.734 207 R HA 0.048 4.389 4.340 0.001 0.000 0.266 207 R C -0.452 175.867 176.300 0.032 0.000 1.044 207 R CA -0.230 55.886 56.100 0.027 0.000 1.128 207 R CB 0.746 31.068 30.300 0.038 0.000 1.010 207 R HN 0.498 nan 8.270 nan 0.000 0.461 208 R N 2.003 122.519 120.500 0.028 0.000 2.265 208 R HA 0.260 4.601 4.340 0.001 0.000 0.319 208 R C -0.315 176.003 176.300 0.031 0.000 1.006 208 R CA -0.233 55.889 56.100 0.036 0.000 0.880 208 R CB 1.284 31.610 30.300 0.043 0.000 1.077 208 R HN 0.829 nan 8.270 nan 0.000 0.454 209 G N 2.081 110.903 108.800 0.038 0.000 2.588 209 G HA2 0.428 4.389 3.960 0.001 0.000 0.281 209 G HA3 0.428 4.389 3.960 0.001 0.000 0.281 209 G C -0.471 174.444 174.900 0.025 0.000 1.236 209 G CA -0.397 44.727 45.100 0.040 0.000 0.969 209 G HN 0.821 nan 8.290 nan 0.000 0.504 210 A N -0.317 122.520 122.820 0.027 0.000 2.492 210 A HA 0.301 4.622 4.320 0.001 0.000 0.236 210 A C 1.766 179.342 177.584 -0.013 0.000 1.078 210 A CA 0.049 52.083 52.037 -0.005 0.000 0.773 210 A CB 0.312 19.316 19.000 0.007 0.000 1.023 210 A HN 0.583 nan 8.150 nan 0.000 0.504 211 K N 1.397 121.759 120.400 -0.063 0.000 1.991 211 K HA -0.150 4.170 4.320 0.001 0.000 0.212 211 K C 1.670 178.237 176.600 -0.054 0.000 1.049 211 K CA 2.030 58.274 56.287 -0.073 0.000 0.932 211 K CB -0.785 31.641 32.500 -0.124 0.000 0.717 211 K HN 0.816 nan 8.250 nan 0.000 0.441 212 G N 0.188 108.930 108.800 -0.096 0.000 3.371 212 G HA2 0.382 4.343 3.960 0.001 0.000 0.248 212 G HA3 0.382 4.343 3.960 0.001 0.000 0.248 212 G C 0.169 175.173 174.900 0.173 0.000 1.161 212 G CA 0.359 45.437 45.100 -0.037 0.000 0.796 212 G HN 0.532 nan 8.290 nan 0.000 0.539 213 G N -1.727 107.164 108.800 0.152 0.000 2.663 213 G HA2 0.452 4.413 3.960 0.001 0.000 0.686 213 G HA3 0.452 4.413 3.960 0.001 0.000 0.686 213 G C -0.033 175.011 174.900 0.241 0.000 1.246 213 G CA -0.375 44.835 45.100 0.183 0.000 0.795 213 G HN 1.060 nan 8.290 nan 0.000 0.627 214 G N -0.092 108.809 108.800 0.168 0.000 2.417 214 G HA2 0.832 4.792 3.960 0.001 0.000 0.320 214 G HA3 0.832 4.792 3.960 0.001 0.000 0.320 214 G C 0.388 175.403 174.900 0.192 0.000 1.204 214 G CA 0.582 45.795 45.100 0.189 0.000 0.923 214 G HN 1.574 nan 8.290 nan 0.000 0.466 215 G N 1.521 110.477 108.800 0.261 0.000 2.400 215 G HA2 0.417 4.378 3.960 0.001 0.000 0.301 215 G HA3 0.417 4.378 3.960 0.001 0.000 0.301 215 G C 1.030 175.960 174.900 0.050 0.000 1.154 215 G CA -0.626 44.544 45.100 0.117 0.000 0.852 215 G HN 0.781 nan 8.290 nan 0.000 0.511 216 W N 2.509 123.800 121.300 -0.014 0.000 2.341 216 W HA -0.149 4.511 4.660 0.001 0.000 0.283 216 W C 1.107 177.583 176.519 -0.071 0.000 1.215 216 W CA 0.507 57.838 57.345 -0.024 0.000 1.211 216 W CB -0.848 28.591 29.460 -0.036 0.000 1.131 216 W HN 0.340 nan 8.180 nan 0.000 0.552 217 I N 1.168 121.045 120.570 -1.155 0.000 2.076 217 I HA -0.277 3.894 4.170 0.001 0.000 0.237 217 I C 2.563 178.324 176.117 -0.592 0.000 1.059 217 I CA 1.909 62.496 61.300 -1.189 0.000 1.317 217 I CB -1.558 35.566 38.000 -1.459 0.000 1.037 217 I HN -0.255 nan 8.210 nan 0.000 0.398 218 F N 0.694 120.508 119.950 -0.227 0.000 2.161 218 F HA -0.244 4.284 4.527 0.001 0.000 0.300 218 F C 2.380 178.167 175.800 -0.022 0.000 1.089 218 F CA 1.780 59.731 58.000 -0.082 0.000 1.282 218 F CB -1.219 37.764 39.000 -0.028 0.000 1.010 218 F HN 0.178 nan 8.300 nan 0.000 0.485 219 D N 0.047 120.538 120.400 0.152 0.000 2.123 219 D HA -0.169 4.472 4.640 0.001 0.000 0.196 219 D C 2.189 178.545 176.300 0.095 0.000 0.992 219 D CA 1.437 55.515 54.000 0.131 0.000 0.833 219 D CB -0.194 40.690 40.800 0.140 0.000 0.954 219 D HN 0.160 nan 8.370 nan 0.000 0.455 220 A N -0.147 122.710 122.820 0.062 0.000 1.897 220 A HA -0.022 4.299 4.320 0.001 0.000 0.215 220 A C 2.114 179.727 177.584 0.048 0.000 1.181 220 A CA 1.082 53.157 52.037 0.062 0.000 0.620 220 A CB -0.888 18.156 19.000 0.073 0.000 0.821 220 A HN 0.366 nan 8.150 nan 0.000 0.443 221 L N 0.573 121.807 121.223 0.019 0.000 2.079 221 L HA -0.206 4.134 4.340 0.001 0.000 0.210 221 L C 1.883 178.821 176.870 0.112 0.000 1.081 221 L CA 2.824 57.691 54.840 0.045 0.000 0.752 221 L CB -0.701 41.383 42.059 0.041 0.000 0.896 221 L HN 0.514 nan 8.230 nan 0.000 0.433 222 D N -0.899 119.586 120.400 0.143 0.000 2.117 222 D HA -0.195 4.445 4.640 0.001 0.000 0.197 222 D C 2.243 178.680 176.300 0.228 0.000 0.987 222 D CA 1.375 55.497 54.000 0.203 0.000 0.829 222 D CB 0.005 40.914 40.800 0.182 0.000 0.961 222 D HN 0.335 nan 8.370 nan 0.000 0.460 223 R N 0.100 120.665 120.500 0.108 0.000 2.120 223 R HA -0.013 4.328 4.340 0.001 0.000 0.234 223 R C 2.335 178.715 176.300 0.134 0.000 1.123 223 R CA 1.112 57.250 56.100 0.065 0.000 0.975 223 R CB -0.306 30.017 30.300 0.037 0.000 0.866 223 R HN 0.169 nan 8.270 nan 0.000 0.446 224 A N 1.455 124.353 122.820 0.129 0.000 1.898 224 A HA -0.079 4.241 4.320 0.001 0.000 0.216 224 A C 2.196 179.888 177.584 0.180 0.000 1.181 224 A CA 0.940 53.050 52.037 0.123 0.000 0.620 224 A CB -0.447 18.598 19.000 0.075 0.000 0.819 224 A HN 0.142 nan 8.150 nan 0.000 0.442 225 L N -1.400 119.948 121.223 0.207 0.000 2.012 225 L HA -0.242 4.099 4.340 0.001 0.000 0.210 225 L C 2.607 179.603 176.870 0.209 0.000 1.073 225 L CA 1.825 56.798 54.840 0.222 0.000 0.748 225 L CB -0.903 41.260 42.059 0.172 0.000 0.891 225 L HN 0.449 nan 8.230 nan 0.000 0.431 226 H N -0.432 118.702 119.070 0.107 0.000 2.422 226 H HA -0.124 4.433 4.556 0.001 0.000 0.298 226 H C 2.189 177.563 175.328 0.077 0.000 1.098 226 H CA 1.375 57.473 56.048 0.083 0.000 1.315 226 H CB -0.560 29.247 29.762 0.075 0.000 1.382 226 H HN 0.340 nan 8.280 nan 0.000 0.523 227 G N -0.627 108.303 108.800 0.216 0.000 2.394 227 G HA2 -0.311 3.649 3.960 0.001 0.000 0.214 227 G HA3 -0.311 3.649 3.960 0.001 0.000 0.214 227 G C 1.539 176.524 174.900 0.140 0.000 1.176 227 G CA 0.681 45.869 45.100 0.147 0.000 0.786 227 G HN 0.482 nan 8.290 nan 0.000 0.533 228 Y N 1.143 121.468 120.300 0.041 0.000 2.483 228 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 228 Y C 2.613 178.554 175.900 0.068 0.000 1.143 228 Y CA 1.604 59.705 58.100 0.001 0.000 1.289 228 Y CB -0.101 38.367 38.460 0.013 0.000 0.983 228 Y HN 0.305 nan 8.280 nan 0.000 0.556 229 Q N 0.621 120.433 119.800 0.020 0.000 2.435 229 Q HA -0.035 4.306 4.340 0.001 0.000 0.207 229 Q C 1.440 177.456 176.000 0.027 0.000 0.956 229 Q CA 1.289 57.093 55.803 0.001 0.000 0.917 229 Q CB -0.032 28.659 28.738 -0.079 0.000 0.997 229 Q HN 0.435 nan 8.270 nan 0.000 0.497 230 K N -0.849 119.553 120.400 0.003 0.000 2.361 230 K HA 0.184 4.504 4.320 0.001 0.000 0.194 230 K C 0.092 176.672 176.600 -0.034 0.000 1.032 230 K CA -0.187 56.096 56.287 -0.007 0.000 1.048 230 K CB 0.416 32.920 32.500 0.007 0.000 0.842 230 K HN 0.176 nan 8.250 nan 0.000 0.526 231 L N 0.540 121.684 121.223 -0.131 0.000 2.472 231 L HA -0.068 4.272 4.340 0.001 0.000 0.273 231 L C 1.766 178.559 176.870 -0.129 0.000 1.254 231 L CA 0.135 54.854 54.840 -0.202 0.000 0.823 231 L CB 0.430 42.254 42.059 -0.392 0.000 1.096 231 L HN 0.075 nan 8.230 nan 0.000 0.521 232 S N 0.202 115.837 115.700 -0.107 0.000 2.478 232 S HA 0.055 4.526 4.470 0.001 0.000 0.222 232 S C 0.073 174.659 174.600 -0.023 0.000 1.008 232 S CA 0.084 58.259 58.200 -0.042 0.000 0.928 232 S CB 0.113 63.289 63.200 -0.041 0.000 0.781 232 S HN 0.420 nan 8.310 nan 0.000 0.518 233 V N 0.849 120.697 119.914 -0.111 0.000 2.623 233 V HA 0.650 4.771 4.120 0.001 0.000 0.304 233 V C -1.765 174.221 176.094 -0.180 0.000 1.054 233 V CA -0.945 61.322 62.300 -0.056 0.000 0.882 233 V CB 1.146 32.935 31.823 -0.057 0.000 1.002 233 V HN 0.264 nan 8.190 nan 0.000 0.424 234 H N 5.563 124.571 119.070 -0.102 0.000 2.725 234 H HA 0.564 5.120 4.556 0.001 0.000 0.283 234 H C -2.532 172.812 175.328 0.027 0.000 1.110 234 H CA -1.839 54.185 56.048 -0.040 0.000 1.289 234 H CB 1.311 30.968 29.762 -0.176 0.000 1.400 234 H HN 0.636 nan 8.280 nan 0.000 0.493 235 P HA -0.053 nan 4.420 nan 0.000 0.267 235 P C -0.166 177.139 177.300 0.009 0.000 1.205 235 P CA 0.047 63.064 63.100 -0.138 0.000 0.765 235 P CB 0.549 32.114 31.700 -0.226 0.000 0.828 236 F N 0.005 120.011 119.950 0.094 0.000 2.825 236 F HA -0.246 4.281 4.527 0.001 0.000 0.358 236 F C 1.926 177.867 175.800 0.235 0.000 0.639 236 F CA 1.366 59.438 58.000 0.119 0.000 1.153 236 F CB -1.964 37.033 39.000 -0.006 0.000 1.610 236 F HN 0.372 nan 8.300 nan 0.000 0.305 237 R N 1.043 121.732 120.500 0.315 0.000 2.148 237 R HA -0.078 4.263 4.340 0.001 0.000 0.227 237 R C 2.252 178.632 176.300 0.134 0.000 1.103 237 R CA 1.644 57.886 56.100 0.236 0.000 0.983 237 R CB -0.192 30.197 30.300 0.148 0.000 0.874 237 R HN 0.475 nan 8.270 nan 0.000 0.451 238 R N 0.021 120.591 120.500 0.118 0.000 2.070 238 R HA -0.116 4.224 4.340 0.001 0.000 0.233 238 R C 2.064 178.420 176.300 0.093 0.000 1.137 238 R CA 1.745 57.885 56.100 0.067 0.000 0.945 238 R CB -0.343 29.990 30.300 0.055 0.000 0.845 238 R HN 0.324 nan 8.270 nan 0.000 0.430 239 A N 0.507 123.438 122.820 0.185 0.000 1.969 239 A HA -0.045 4.275 4.320 0.001 0.000 0.218 239 A C 2.305 179.948 177.584 0.099 0.000 1.169 239 A CA 1.461 53.612 52.037 0.191 0.000 0.635 239 A CB -0.620 18.571 19.000 0.319 0.000 0.810 239 A HN 0.541 nan 8.150 nan 0.000 0.445 240 A N 0.183 123.072 122.820 0.114 0.000 1.908 240 A HA -0.222 4.099 4.320 0.001 0.000 0.218 240 A C 1.922 179.378 177.584 -0.213 0.000 1.181 240 A CA 1.775 53.659 52.037 -0.255 0.000 0.627 240 A CB -0.540 18.409 19.000 -0.086 0.000 0.818 240 A HN 0.661 nan 8.150 nan 0.000 0.445 241 E N -0.280 119.862 120.200 -0.096 0.000 2.028 241 E HA -0.135 4.215 4.350 0.001 0.000 0.191 241 E C 1.943 178.497 176.600 -0.076 0.000 0.988 241 E CA 1.242 57.583 56.400 -0.099 0.000 0.799 241 E CB -0.358 29.297 29.700 -0.075 0.000 0.755 241 E HN 0.694 nan 8.360 nan 0.000 0.447 242 I N 1.159 121.707 120.570 -0.037 0.000 2.248 242 I HA -0.287 3.884 4.170 0.001 0.000 0.248 242 I C 2.434 178.543 176.117 -0.013 0.000 1.107 242 I CA 0.901 62.195 61.300 -0.009 0.000 1.373 242 I CB -0.338 37.675 38.000 0.021 0.000 1.055 242 I HN 0.046 nan 8.210 nan 0.000 0.418 243 R N 0.931 121.397 120.500 -0.057 0.000 2.105 243 R HA -0.114 4.226 4.340 0.001 0.000 0.239 243 R C 2.305 178.583 176.300 -0.038 0.000 1.135 243 R CA 1.612 57.672 56.100 -0.067 0.000 0.967 243 R CB -0.872 29.305 30.300 -0.206 0.000 0.861 243 R HN 0.427 nan 8.270 nan 0.000 0.442 244 A N 0.857 123.622 122.820 -0.093 0.000 1.898 244 A HA -0.079 4.241 4.320 0.001 0.000 0.214 244 A C 2.180 179.794 177.584 0.050 0.000 1.183 244 A CA 0.679 52.674 52.037 -0.069 0.000 0.622 244 A CB -0.419 18.485 19.000 -0.161 0.000 0.824 244 A HN 0.197 nan 8.150 nan 0.000 0.444 245 L N 0.452 121.684 121.223 0.014 0.000 1.989 245 L HA -0.188 4.152 4.340 0.001 0.000 0.211 245 L C 1.713 178.631 176.870 0.080 0.000 1.071 245 L CA 2.571 57.428 54.840 0.029 0.000 0.749 245 L CB -0.714 41.347 42.059 0.003 0.000 0.890 245 L HN 0.380 nan 8.230 nan 0.000 0.431 246 D N -1.403 119.047 120.400 0.082 0.000 2.144 246 D HA -0.266 4.375 4.640 0.001 0.000 0.199 246 D C 1.842 178.213 176.300 0.119 0.000 0.984 246 D CA 1.560 55.612 54.000 0.088 0.000 0.834 246 D CB -0.431 40.413 40.800 0.073 0.000 0.955 246 D HN 0.580 nan 8.370 nan 0.000 0.465 247 W N 1.856 123.143 121.300 -0.022 0.000 2.338 247 W HA -0.171 4.489 4.660 0.001 0.000 0.304 247 W C 2.165 178.707 176.519 0.040 0.000 1.212 247 W CA 1.242 58.576 57.345 -0.019 0.000 1.264 247 W CB -0.369 29.052 29.460 -0.065 0.000 1.142 247 W HN -0.086 nan 8.180 nan 0.000 0.512 248 L N -0.310 121.078 121.223 0.275 0.000 2.027 248 L HA -0.229 4.111 4.340 0.001 0.000 0.206 248 L C 2.513 179.609 176.870 0.377 0.000 1.074 248 L CA 1.200 56.207 54.840 0.279 0.000 0.745 248 L CB -1.224 40.897 42.059 0.104 0.000 0.898 248 L HN -0.003 nan 8.230 nan 0.000 0.433 249 L N -0.239 121.127 121.223 0.238 0.000 2.129 249 L HA -0.232 4.109 4.340 0.001 0.000 0.212 249 L C 2.447 179.356 176.870 0.066 0.000 1.087 249 L CA 1.369 56.323 54.840 0.189 0.000 0.757 249 L CB -0.557 41.568 42.059 0.111 0.000 0.896 249 L HN 0.351 nan 8.230 nan 0.000 0.434 250 E N 0.015 120.184 120.200 -0.051 0.000 2.216 250 E HA -0.098 4.253 4.350 0.001 0.000 0.192 250 E C 1.335 177.709 176.600 -0.377 0.000 0.988 250 E CA 0.543 56.827 56.400 -0.194 0.000 0.834 250 E CB 0.141 29.681 29.700 -0.266 0.000 0.772 250 E HN 0.508 nan 8.360 nan 0.000 0.479 251 R N 1.118 121.404 120.500 -0.357 0.000 2.586 251 R HA 0.141 4.482 4.340 0.001 0.000 0.336 251 R C 0.170 176.444 176.300 -0.044 0.000 1.060 251 R CA -0.152 55.707 56.100 -0.402 0.000 1.079 251 R CB 0.186 30.146 30.300 -0.567 0.000 1.317 251 R HN 0.088 nan 8.270 nan 0.000 0.568 252 Q N 1.845 121.560 119.800 -0.142 0.000 2.297 252 Q HA 0.285 4.625 4.340 0.001 0.000 0.267 252 Q C -0.328 175.425 176.000 -0.411 0.000 1.006 252 Q CA -0.236 55.163 55.803 -0.674 0.000 0.896 252 Q CB 0.946 29.278 28.738 -0.678 0.000 1.186 252 Q HN 0.291 nan 8.270 nan 0.000 0.392 253 A N 3.377 125.889 122.820 -0.512 0.000 2.492 253 A HA 0.216 4.536 4.320 0.001 0.000 0.236 253 A C 1.174 178.582 177.584 -0.294 0.000 1.078 253 A CA 0.377 52.234 52.037 -0.300 0.000 0.773 253 A CB 0.063 18.890 19.000 -0.289 0.000 1.023 253 A HN 1.062 nan 8.150 nan 0.000 0.504 254 G N 0.224 108.902 108.800 -0.204 0.000 2.422 254 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 254 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 254 G C 0.734 175.550 174.900 -0.141 0.000 1.146 254 G CA 1.328 46.331 45.100 -0.161 0.000 0.769 254 G HN 0.933 nan 8.290 nan 0.000 0.547 255 D N -1.238 119.081 120.400 -0.135 0.000 2.363 255 D HA 0.276 4.917 4.640 0.001 0.000 0.226 255 D C 1.703 177.924 176.300 -0.131 0.000 1.020 255 D CA 0.895 54.851 54.000 -0.072 0.000 0.892 255 D CB -0.262 40.559 40.800 0.036 0.000 0.900 255 D HN 0.471 nan 8.370 nan 0.000 0.531 256 G N -0.483 108.139 108.800 -0.297 0.000 2.179 256 G HA2 -0.279 3.682 3.960 0.001 0.000 0.220 256 G HA3 -0.279 3.682 3.960 0.001 0.000 0.220 256 G C 0.597 175.007 174.900 -0.816 0.000 0.990 256 G CA 0.340 45.214 45.100 -0.375 0.000 0.646 256 G HN 0.759 nan 8.290 nan 0.000 0.517 257 S N -1.016 114.000 115.700 -1.139 0.000 2.552 257 S HA 0.742 5.213 4.470 0.001 0.000 0.271 257 S C -0.145 173.878 174.600 -0.962 0.000 1.168 257 S CA -0.382 56.764 58.200 -1.757 0.000 1.026 257 S CB 1.174 63.365 63.200 -1.682 0.000 1.120 257 S HN 0.675 nan 8.310 nan 0.000 0.514 258 W N 0.032 121.077 121.300 -0.425 0.000 2.642 258 W HA 0.469 5.129 4.660 0.001 0.000 0.304 258 W C 0.627 177.158 176.519 0.020 0.000 1.023 258 W CA -0.076 57.230 57.345 -0.066 0.000 1.290 258 W CB 0.879 30.366 29.460 0.045 0.000 1.190 258 W HN 1.313 nan 8.180 nan 0.000 0.374 259 G N 0.962 109.885 108.800 0.205 0.000 2.195 259 G HA2 -0.190 3.770 3.960 0.001 0.000 0.246 259 G HA3 -0.190 3.770 3.960 0.001 0.000 0.246 259 G C 1.052 176.016 174.900 0.106 0.000 0.984 259 G CA 0.624 45.751 45.100 0.046 0.000 0.633 259 G HN 1.599 nan 8.290 nan 0.000 0.525 260 G N -0.555 108.323 108.800 0.130 0.000 2.179 260 G HA2 -0.148 3.812 3.960 0.001 0.000 0.260 260 G HA3 -0.148 3.812 3.960 0.001 0.000 0.260 260 G C 0.577 175.683 174.900 0.342 0.000 0.977 260 G CA 1.054 46.294 45.100 0.234 0.000 0.641 260 G HN 2.084 nan 8.290 nan 0.000 0.533 261 I N -3.141 117.596 120.570 0.278 0.000 2.822 261 I HA 0.641 4.811 4.170 0.001 0.000 0.312 261 I C 1.323 177.667 176.117 0.377 0.000 1.011 261 I CA -0.879 60.598 61.300 0.294 0.000 1.105 261 I CB 1.384 39.492 38.000 0.180 0.000 1.291 261 I HN -0.037 nan 8.210 nan 0.000 0.474 262 Q N 2.133 122.085 119.800 0.253 0.000 2.049 262 Q HA -0.004 4.337 4.340 0.001 0.000 0.198 262 Q C -0.982 174.947 176.000 -0.118 0.000 0.971 262 Q CA 1.710 57.547 55.803 0.058 0.000 0.833 262 Q CB -1.172 27.388 28.738 -0.297 0.000 0.896 262 Q HN 0.617 nan 8.270 nan 0.000 0.434 263 P HA -0.165 nan 4.420 nan 0.000 0.208 263 P C -1.599 175.724 177.300 0.038 0.000 1.180 263 P CA 2.649 65.654 63.100 -0.158 0.000 0.935 263 P CB -1.293 30.428 31.700 0.034 0.000 0.785 264 P HA -0.220 nan 4.420 nan 0.000 0.216 264 P C 1.526 179.045 177.300 0.366 0.000 1.150 264 P CA 1.498 64.813 63.100 0.357 0.000 0.837 264 P CB -0.535 31.362 31.700 0.329 0.000 0.786 265 W N 0.950 122.409 121.300 0.265 0.000 2.332 265 W HA -0.199 4.461 4.660 0.001 0.000 0.321 265 W C 2.109 178.792 176.519 0.274 0.000 1.219 265 W CA 1.054 58.633 57.345 0.391 0.000 1.277 265 W CB -1.685 28.015 29.460 0.399 0.000 1.161 265 W HN -0.155 nan 8.180 nan 0.000 0.476 266 F N -0.375 119.607 119.950 0.053 0.000 2.095 266 F HA -0.240 4.288 4.527 0.001 0.000 0.298 266 F C 2.338 178.086 175.800 -0.087 0.000 1.104 266 F CA 1.891 59.800 58.000 -0.152 0.000 1.232 266 F CB -1.734 37.101 39.000 -0.275 0.000 0.987 266 F HN -0.138 nan 8.300 nan 0.000 0.475 267 Y N -0.250 120.211 120.300 0.269 0.000 2.293 267 Y HA -0.067 4.483 4.550 0.001 0.000 0.291 267 Y C 2.471 178.358 175.900 -0.022 0.000 1.137 267 Y CA 0.442 58.589 58.100 0.079 0.000 1.202 267 Y CB -1.571 36.938 38.460 0.083 0.000 0.990 267 Y HN 0.030 nan 8.280 nan 0.000 0.537 268 A N 0.348 123.190 122.820 0.038 0.000 1.877 268 A HA -0.140 4.180 4.320 0.001 0.000 0.216 268 A C 2.297 179.778 177.584 -0.172 0.000 1.186 268 A CA 1.589 53.436 52.037 -0.317 0.000 0.620 268 A CB -1.116 17.252 19.000 -1.054 0.000 0.822 268 A HN 0.450 nan 8.150 nan 0.000 0.443 269 L N -0.501 120.718 121.223 -0.006 0.000 2.046 269 L HA -0.201 4.140 4.340 0.001 0.000 0.208 269 L C 2.512 179.442 176.870 0.100 0.000 1.077 269 L CA 1.372 56.235 54.840 0.038 0.000 0.747 269 L CB -0.637 41.396 42.059 -0.044 0.000 0.896 269 L HN 0.384 nan 8.230 nan 0.000 0.432 270 I N 0.054 120.664 120.570 0.068 0.000 2.208 270 I HA -0.304 3.867 4.170 0.001 0.000 0.245 270 I C 2.860 179.034 176.117 0.096 0.000 1.097 270 I CA 1.219 62.567 61.300 0.079 0.000 1.363 270 I CB -0.564 37.481 38.000 0.076 0.000 1.051 270 I HN 0.218 nan 8.210 nan 0.000 0.413 271 A N 1.151 124.005 122.820 0.057 0.000 1.908 271 A HA -0.172 4.149 4.320 0.001 0.000 0.218 271 A C 2.309 179.917 177.584 0.040 0.000 1.181 271 A CA 1.501 53.549 52.037 0.019 0.000 0.627 271 A CB -0.885 18.091 19.000 -0.040 0.000 0.818 271 A HN 0.404 nan 8.150 nan 0.000 0.445 272 L N -0.953 120.322 121.223 0.087 0.000 2.131 272 L HA -0.174 4.167 4.340 0.001 0.000 0.210 272 L C 2.568 179.520 176.870 0.136 0.000 1.092 272 L CA 1.700 56.628 54.840 0.146 0.000 0.759 272 L CB -0.396 41.856 42.059 0.321 0.000 0.903 272 L HN 0.357 nan 8.230 nan 0.000 0.435 273 K N 0.947 121.454 120.400 0.178 0.000 2.097 273 K HA -0.129 4.191 4.320 0.001 0.000 0.205 273 K C 1.792 178.427 176.600 0.058 0.000 1.050 273 K CA 1.404 57.740 56.287 0.082 0.000 0.938 273 K CB -0.152 32.408 32.500 0.099 0.000 0.718 273 K HN 0.084 nan 8.250 nan 0.000 0.442 274 I N 0.875 121.497 120.570 0.086 0.000 2.830 274 I HA -0.125 4.046 4.170 0.001 0.000 0.263 274 I C 1.267 177.388 176.117 0.007 0.000 1.230 274 I CA 0.984 62.323 61.300 0.064 0.000 1.480 274 I CB -0.653 37.369 38.000 0.036 0.000 1.095 274 I HN 0.142 nan 8.210 nan 0.000 0.455 275 L N 0.501 121.726 121.223 0.002 0.000 2.741 275 L HA 0.157 4.497 4.340 0.001 0.000 0.237 275 L C -0.135 176.723 176.870 -0.020 0.000 1.178 275 L CA -0.101 54.731 54.840 -0.014 0.000 0.973 275 L CB -0.292 41.761 42.059 -0.011 0.000 1.255 275 L HN 0.166 nan 8.230 nan 0.000 0.498 276 D N 1.088 121.468 120.400 -0.033 0.000 2.689 276 D HA -0.224 4.416 4.640 0.001 0.000 0.237 276 D C 0.514 176.772 176.300 -0.071 0.000 1.148 276 D CA 1.054 55.017 54.000 -0.063 0.000 0.656 276 D CB -0.617 40.156 40.800 -0.045 0.000 1.050 276 D HN 0.438 nan 8.370 nan 0.000 0.426 277 M N -0.433 119.115 119.600 -0.087 0.000 2.778 277 M HA 0.025 4.506 4.480 0.001 0.000 0.359 277 M C 1.763 177.940 176.300 -0.206 0.000 1.216 277 M CA -0.063 55.212 55.300 -0.043 0.000 0.935 277 M CB 0.476 33.098 32.600 0.037 0.000 1.330 277 M HN 0.020 nan 8.290 nan 0.000 0.516 278 T N -2.542 111.711 114.554 -0.501 0.000 2.962 278 T HA -0.094 4.257 4.350 0.001 0.000 0.270 278 T C 1.375 175.739 174.700 -0.560 0.000 1.088 278 T CA 1.056 62.479 62.100 -1.128 0.000 1.127 278 T CB -0.071 68.263 68.868 -0.890 0.000 0.883 278 T HN 0.491 nan 8.240 nan 0.000 0.493 279 Q N 0.001 119.672 119.800 -0.214 0.000 2.220 279 Q HA 0.146 4.487 4.340 0.001 0.000 0.205 279 Q C -0.012 176.016 176.000 0.047 0.000 0.865 279 Q CA -0.265 55.500 55.803 -0.064 0.000 0.960 279 Q CB 0.284 28.984 28.738 -0.063 0.000 1.097 279 Q HN 0.611 nan 8.270 nan 0.000 0.493 280 H N 0.831 119.915 119.070 0.023 0.000 2.548 280 H HA 0.107 4.664 4.556 0.001 0.000 0.331 280 H C -1.965 173.464 175.328 0.168 0.000 1.093 280 H CA -1.995 54.110 56.048 0.094 0.000 1.367 280 H CB 1.692 31.522 29.762 0.112 0.000 1.455 280 H HN -0.144 nan 8.280 nan 0.000 0.519 281 P HA -0.222 nan 4.420 nan 0.000 0.217 281 P C 1.168 178.700 177.300 0.388 0.000 1.158 281 P CA 2.615 65.837 63.100 0.203 0.000 0.887 281 P CB 0.014 31.733 31.700 0.032 0.000 0.792 282 A N -1.369 121.832 122.820 0.635 0.000 1.892 282 A HA -0.253 4.067 4.320 0.001 0.000 0.218 282 A C 2.161 179.999 177.584 0.423 0.000 1.188 282 A CA 1.873 54.153 52.037 0.404 0.000 0.631 282 A CB -1.837 17.340 19.000 0.295 0.000 0.822 282 A HN 0.180 nan 8.150 nan 0.000 0.447 283 F N 0.804 120.951 119.950 0.329 0.000 2.084 283 F HA -0.153 4.374 4.527 0.001 0.000 0.296 283 F C 2.045 178.028 175.800 0.305 0.000 1.111 283 F CA 1.463 59.645 58.000 0.304 0.000 1.224 283 F CB -0.213 38.910 39.000 0.205 0.000 0.991 283 F HN 0.144 nan 8.300 nan 0.000 0.471 284 I N 0.812 121.744 120.570 0.603 0.000 2.087 284 I HA -0.350 3.821 4.170 0.001 0.000 0.240 284 I C 2.409 178.728 176.117 0.338 0.000 1.054 284 I CA 1.880 63.449 61.300 0.449 0.000 1.311 284 I CB -1.618 36.564 38.000 0.304 0.000 1.024 284 I HN 0.179 nan 8.210 nan 0.000 0.402 285 K N 1.350 121.904 120.400 0.256 0.000 2.026 285 K HA -0.114 4.206 4.320 0.001 0.000 0.208 285 K C 2.111 178.826 176.600 0.193 0.000 1.048 285 K CA 1.758 58.152 56.287 0.179 0.000 0.929 285 K CB -0.996 31.563 32.500 0.098 0.000 0.713 285 K HN 0.332 nan 8.250 nan 0.000 0.439 286 G N 0.267 109.191 108.800 0.207 0.000 2.462 286 G HA2 -0.258 3.703 3.960 0.001 0.000 0.220 286 G HA3 -0.258 3.703 3.960 0.001 0.000 0.220 286 G C 1.351 176.537 174.900 0.478 0.000 1.121 286 G CA 0.816 46.115 45.100 0.331 0.000 0.758 286 G HN 0.527 nan 8.290 nan 0.000 0.559 287 W N 2.109 123.441 121.300 0.053 0.000 2.488 287 W HA -0.015 4.646 4.660 0.001 0.000 0.304 287 W C 2.296 178.877 176.519 0.103 0.000 1.175 287 W CA 1.285 58.604 57.345 -0.042 0.000 1.365 287 W CB -0.199 29.153 29.460 -0.180 0.000 1.131 287 W HN 0.500 nan 8.180 nan 0.000 0.520 288 E N 0.046 120.342 120.200 0.159 0.000 2.401 288 E HA -0.064 4.286 4.350 0.001 0.000 0.199 288 E C 2.001 178.661 176.600 0.099 0.000 1.023 288 E CA 1.255 57.694 56.400 0.066 0.000 0.859 288 E CB -0.860 28.966 29.700 0.210 0.000 0.780 288 E HN 0.253 nan 8.360 nan 0.000 0.523 289 G N 1.297 110.235 108.800 0.230 0.000 2.572 289 G HA2 -0.067 3.894 3.960 0.001 0.000 0.216 289 G HA3 -0.067 3.894 3.960 0.001 0.000 0.216 289 G C 1.505 176.738 174.900 0.555 0.000 1.133 289 G CA 0.039 45.376 45.100 0.394 0.000 0.791 289 G HN 0.153 nan 8.290 nan 0.000 0.538 290 L N 0.336 121.712 121.223 0.254 0.000 2.046 290 L HA -0.077 4.264 4.340 0.001 0.000 0.208 290 L C 2.763 179.759 176.870 0.210 0.000 1.077 290 L CA 0.932 55.804 54.840 0.053 0.000 0.747 290 L CB -0.311 41.621 42.059 -0.211 0.000 0.896 290 L HN 0.119 nan 8.230 nan 0.000 0.432 291 E N 0.160 120.447 120.200 0.145 0.000 2.187 291 E HA -0.271 4.079 4.350 0.001 0.000 0.199 291 E C 2.116 178.843 176.600 0.213 0.000 1.004 291 E CA 1.218 57.723 56.400 0.174 0.000 0.813 291 E CB -0.401 29.363 29.700 0.107 0.000 0.736 291 E HN 0.325 nan 8.360 nan 0.000 0.468 292 L N -0.129 121.269 121.223 0.292 0.000 2.131 292 L HA -0.166 4.175 4.340 0.001 0.000 0.210 292 L C 1.772 178.797 176.870 0.258 0.000 1.092 292 L CA 1.586 56.608 54.840 0.304 0.000 0.759 292 L CB -0.420 41.849 42.059 0.350 0.000 0.903 292 L HN 0.033 nan 8.230 nan 0.000 0.435 293 Y N -0.448 119.841 120.300 -0.020 0.000 2.523 293 Y HA 0.351 4.902 4.550 0.001 0.000 0.279 293 Y C 1.690 177.246 175.900 -0.574 0.000 1.139 293 Y CA -0.221 57.691 58.100 -0.313 0.000 1.296 293 Y CB -0.885 37.141 38.460 -0.723 0.000 1.045 293 Y HN 0.144 nan 8.280 nan 0.000 0.538 294 G N 0.281 108.947 108.800 -0.223 0.000 2.503 294 G HA2 0.450 4.410 3.960 0.001 0.000 0.257 294 G HA3 0.450 4.410 3.960 0.001 0.000 0.257 294 G C -1.086 173.630 174.900 -0.306 0.000 1.214 294 G CA -0.127 44.787 45.100 -0.310 0.000 0.839 294 G HN -0.076 nan 8.290 nan 0.000 0.559 295 V N 1.542 121.084 119.914 -0.619 0.000 2.686 295 V HA 0.296 4.416 4.120 0.001 0.000 0.306 295 V C -0.753 175.147 176.094 -0.323 0.000 1.065 295 V CA -1.028 61.031 62.300 -0.401 0.000 0.894 295 V CB 2.045 33.609 31.823 -0.431 0.000 1.004 295 V HN 0.708 nan 8.190 nan 0.000 0.424 296 E N 4.290 124.425 120.200 -0.108 0.000 2.194 296 E HA 0.421 4.772 4.350 0.001 0.000 0.284 296 E C -0.791 175.715 176.600 -0.157 0.000 1.035 296 E CA -0.197 56.182 56.400 -0.034 0.000 0.836 296 E CB 1.679 31.385 29.700 0.011 0.000 1.070 296 E HN 0.481 nan 8.360 nan 0.000 0.401 297 L N 2.940 124.018 121.223 -0.242 0.000 2.292 297 L HA 0.081 4.422 4.340 0.001 0.000 0.284 297 L C 1.438 178.103 176.870 -0.341 0.000 1.065 297 L CA -0.551 54.049 54.840 -0.399 0.000 0.806 297 L CB 0.776 42.360 42.059 -0.791 0.000 1.175 297 L HN 0.467 nan 8.230 nan 0.000 0.431 298 D N 0.940 121.218 120.400 -0.203 0.000 2.228 298 D HA -0.320 4.321 4.640 0.001 0.000 0.203 298 D C 1.248 177.550 176.300 0.003 0.000 0.988 298 D CA 1.598 55.560 54.000 -0.064 0.000 0.864 298 D CB -0.357 40.450 40.800 0.012 0.000 0.928 298 D HN 0.639 nan 8.370 nan 0.000 0.469 299 Y N -1.810 118.530 120.300 0.066 0.000 2.470 299 Y HA 0.516 5.066 4.550 0.001 0.000 0.302 299 Y C 1.608 177.569 175.900 0.102 0.000 1.194 299 Y CA -0.872 57.284 58.100 0.093 0.000 1.271 299 Y CB -0.356 38.189 38.460 0.142 0.000 1.092 299 Y HN 0.072 nan 8.280 nan 0.000 0.513 300 G N -0.589 108.202 108.800 -0.015 0.000 2.157 300 G HA2 -0.210 3.751 3.960 0.001 0.000 0.248 300 G HA3 -0.210 3.751 3.960 0.001 0.000 0.248 300 G C 0.580 175.491 174.900 0.019 0.000 0.979 300 G CA -0.091 45.034 45.100 0.042 0.000 0.650 300 G HN 1.003 nan 8.290 nan 0.000 0.529 301 G N -1.463 107.173 108.800 -0.274 0.000 2.522 301 G HA2 0.549 4.509 3.960 0.001 0.000 0.304 301 G HA3 0.549 4.509 3.960 0.001 0.000 0.304 301 G C -0.807 174.059 174.900 -0.056 0.000 1.210 301 G CA -0.388 44.651 45.100 -0.102 0.000 0.960 301 G HN 0.927 nan 8.290 nan 0.000 0.497 302 W N 1.095 122.276 121.300 -0.198 0.000 3.259 302 W HA 0.638 5.298 4.660 0.001 0.000 0.331 302 W C -0.488 175.740 176.519 -0.485 0.000 1.144 302 W CA -1.004 56.171 57.345 -0.284 0.000 1.227 302 W CB 1.636 30.979 29.460 -0.195 0.000 1.371 302 W HN 0.708 nan 8.180 nan 0.000 0.491 303 M N 4.592 123.416 119.600 -1.294 0.000 2.658 303 M HA 0.696 5.176 4.480 0.001 0.000 0.295 303 M C -2.112 173.337 176.300 -1.419 0.000 1.248 303 M CA -0.929 53.578 55.300 -1.321 0.000 0.843 303 M CB 2.937 34.897 32.600 -1.068 0.000 1.749 303 M HN 0.399 nan 8.290 nan 0.000 0.464 304 F N 1.959 121.297 119.950 -1.020 0.000 2.445 304 F HA 0.448 4.975 4.527 0.001 0.000 0.348 304 F C -0.616 175.014 175.800 -0.284 0.000 1.125 304 F CA -0.329 57.270 58.000 -0.668 0.000 0.983 304 F CB 1.626 40.338 39.000 -0.481 0.000 1.198 304 F HN 0.703 nan 8.300 nan 0.000 0.436 305 Q N 4.593 124.233 119.800 -0.265 0.000 2.300 305 Q HA 0.230 4.571 4.340 0.001 0.000 0.280 305 Q C 1.160 177.320 176.000 0.267 0.000 1.033 305 Q CA 0.403 56.195 55.803 -0.019 0.000 0.903 305 Q CB 1.314 30.021 28.738 -0.050 0.000 1.195 305 Q HN 0.887 nan 8.270 nan 0.000 0.386 306 A N 2.588 125.570 122.820 0.270 0.000 2.076 306 A HA -0.073 4.248 4.320 0.001 0.000 0.220 306 A C 0.916 178.721 177.584 0.370 0.000 1.160 306 A CA 1.487 53.713 52.037 0.315 0.000 0.653 306 A CB 0.237 19.423 19.000 0.309 0.000 0.801 306 A HN 0.592 nan 8.150 nan 0.000 0.455 307 S N -2.407 113.514 115.700 0.368 0.000 2.643 307 S HA 0.517 4.987 4.470 0.001 0.000 0.266 307 S C -1.435 173.352 174.600 0.313 0.000 1.130 307 S CA -0.225 58.247 58.200 0.453 0.000 0.817 307 S CB 0.293 63.695 63.200 0.336 0.000 1.107 307 S HN 0.867 nan 8.310 nan 0.000 0.471 308 I N 0.802 121.521 120.570 0.247 0.000 2.569 308 I HA 0.747 4.918 4.170 0.001 0.000 0.296 308 I C -0.037 176.035 176.117 -0.075 0.000 1.028 308 I CA -0.717 60.647 61.300 0.107 0.000 1.082 308 I CB 2.400 40.269 38.000 -0.217 0.000 1.264 308 I HN 0.573 nan 8.210 nan 0.000 0.429 309 S N 3.313 118.938 115.700 -0.125 0.000 2.438 309 S HA 0.410 4.880 4.470 0.001 0.000 0.227 309 S C -1.703 172.680 174.600 -0.363 0.000 1.265 309 S CA -1.063 56.775 58.200 -0.604 0.000 1.265 309 S CB -0.249 62.857 63.200 -0.157 0.000 0.987 309 S HN 0.669 nan 8.310 nan 0.000 0.502 310 P HA -0.101 nan 4.420 nan 0.000 0.214 310 P C 1.554 178.733 177.300 -0.201 0.000 1.162 310 P CA 0.942 63.621 63.100 -0.702 0.000 0.879 310 P CB -0.049 30.573 31.700 -1.797 0.000 0.786 311 V N 0.003 119.816 119.914 -0.169 0.000 2.295 311 V HA -0.204 3.917 4.120 0.001 0.000 0.246 311 V C 2.603 178.737 176.094 0.067 0.000 1.049 311 V CA 1.929 64.275 62.300 0.078 0.000 1.024 311 V CB -1.674 30.146 31.823 -0.006 0.000 0.648 311 V HN 0.216 nan 8.190 nan 0.000 0.447 312 W N 1.309 122.463 121.300 -0.244 0.000 2.335 312 W HA -0.219 4.442 4.660 0.001 0.000 0.311 312 W C 2.234 178.752 176.519 -0.002 0.000 1.213 312 W CA 2.201 59.480 57.345 -0.110 0.000 1.274 312 W CB -0.259 29.102 29.460 -0.165 0.000 1.148 312 W HN 0.360 nan 8.180 nan 0.000 0.498 313 D N -0.169 120.268 120.400 0.061 0.000 2.097 313 D HA -0.176 4.465 4.640 0.001 0.000 0.195 313 D C 2.060 178.347 176.300 -0.021 0.000 0.989 313 D CA 2.480 56.500 54.000 0.033 0.000 0.827 313 D CB -0.792 40.148 40.800 0.232 0.000 0.966 313 D HN 0.119 nan 8.370 nan 0.000 0.456 314 T N 0.531 115.178 114.554 0.154 0.000 2.665 314 T HA -0.142 4.209 4.350 0.001 0.000 0.268 314 T C 1.968 176.698 174.700 0.050 0.000 1.035 314 T CA 1.642 63.929 62.100 0.311 0.000 1.151 314 T CB -0.770 68.319 68.868 0.369 0.000 0.862 314 T HN 0.276 nan 8.240 nan 0.000 0.438 315 G N 1.560 110.294 108.800 -0.111 0.000 2.545 315 G HA2 -0.181 3.780 3.960 0.001 0.000 0.217 315 G HA3 -0.181 3.780 3.960 0.001 0.000 0.217 315 G C 1.502 176.123 174.900 -0.465 0.000 1.218 315 G CA 0.801 45.729 45.100 -0.286 0.000 0.787 315 G HN 0.455 nan 8.290 nan 0.000 0.571 316 L N 0.815 121.651 121.223 -0.645 0.000 2.012 316 L HA -0.123 4.217 4.340 0.001 0.000 0.210 316 L C 3.487 179.978 176.870 -0.632 0.000 1.073 316 L CA 1.172 55.575 54.840 -0.727 0.000 0.748 316 L CB -0.670 40.844 42.059 -0.907 0.000 0.891 316 L HN 0.325 nan 8.230 nan 0.000 0.431 317 A N -0.006 122.439 122.820 -0.625 0.000 1.903 317 A HA -0.204 4.116 4.320 0.001 0.000 0.219 317 A C 2.356 179.511 177.584 -0.716 0.000 1.191 317 A CA 2.295 53.825 52.037 -0.844 0.000 0.638 317 A CB -1.014 17.116 19.000 -1.449 0.000 0.823 317 A HN 0.217 nan 8.150 nan 0.000 0.451 318 V N 0.081 119.708 119.914 -0.478 0.000 2.255 318 V HA -0.292 3.829 4.120 0.001 0.000 0.247 318 V C 2.583 178.459 176.094 -0.362 0.000 1.051 318 V CA 2.097 64.222 62.300 -0.293 0.000 1.018 318 V CB -0.893 30.837 31.823 -0.154 0.000 0.641 318 V HN 0.590 nan 8.190 nan 0.000 0.445 319 L N 0.070 121.005 121.223 -0.481 0.000 2.079 319 L HA -0.215 4.126 4.340 0.001 0.000 0.210 319 L C 2.728 179.352 176.870 -0.410 0.000 1.081 319 L CA 1.643 56.144 54.840 -0.565 0.000 0.752 319 L CB -0.875 40.686 42.059 -0.830 0.000 0.896 319 L HN 0.384 nan 8.230 nan 0.000 0.433 320 A N 0.330 122.910 122.820 -0.400 0.000 1.858 320 A HA -0.163 4.158 4.320 0.001 0.000 0.216 320 A C 2.245 179.696 177.584 -0.221 0.000 1.190 320 A CA 1.480 53.339 52.037 -0.297 0.000 0.617 320 A CB -0.779 18.016 19.000 -0.341 0.000 0.827 320 A HN 0.347 nan 8.150 nan 0.000 0.443 321 L N -1.092 119.977 121.223 -0.256 0.000 2.083 321 L HA -0.200 4.141 4.340 0.001 0.000 0.209 321 L C 2.918 179.714 176.870 -0.123 0.000 1.083 321 L CA 1.103 55.837 54.840 -0.176 0.000 0.752 321 L CB -0.570 41.370 42.059 -0.198 0.000 0.899 321 L HN 0.292 nan 8.230 nan 0.000 0.433 322 R N 0.404 120.812 120.500 -0.153 0.000 2.070 322 R HA -0.079 4.262 4.340 0.001 0.000 0.233 322 R C 2.302 178.550 176.300 -0.086 0.000 1.137 322 R CA 1.584 57.616 56.100 -0.114 0.000 0.945 322 R CB -1.029 29.174 30.300 -0.161 0.000 0.845 322 R HN 0.335 nan 8.270 nan 0.000 0.430 323 A N 0.944 123.698 122.820 -0.111 0.000 2.125 323 A HA -0.008 4.313 4.320 0.001 0.000 0.219 323 A C 2.245 179.810 177.584 -0.030 0.000 1.156 323 A CA 1.564 53.564 52.037 -0.062 0.000 0.671 323 A CB -0.361 18.599 19.000 -0.066 0.000 0.794 323 A HN 0.369 nan 8.150 nan 0.000 0.459 324 A N -1.674 121.124 122.820 -0.037 0.000 1.854 324 A HA 0.374 4.695 4.320 0.001 0.000 0.214 324 A C 1.962 179.558 177.584 0.020 0.000 1.192 324 A CA 2.048 54.084 52.037 -0.001 0.000 0.611 324 A CB -0.510 18.486 19.000 -0.007 0.000 0.832 324 A HN 1.378 nan 8.150 nan 0.000 0.442 325 G N -2.403 106.405 108.800 0.013 0.000 3.897 325 G HA2 0.112 4.072 3.960 0.001 0.000 0.207 325 G HA3 0.112 4.072 3.960 0.001 0.000 0.207 325 G C 0.135 175.061 174.900 0.043 0.000 0.872 325 G CA -0.159 44.960 45.100 0.032 0.000 0.872 325 G HN 0.263 nan 8.290 nan 0.000 0.442 326 L N 2.603 123.855 121.223 0.049 0.000 2.593 326 L HA 0.184 4.525 4.340 0.001 0.000 0.287 326 L C -1.698 175.230 176.870 0.096 0.000 1.243 326 L CA -1.021 53.884 54.840 0.108 0.000 0.890 326 L CB 0.106 42.208 42.059 0.071 0.000 1.134 326 L HN 0.032 nan 8.230 nan 0.000 0.502 327 P HA -0.076 nan 4.420 nan 0.000 0.267 327 P C 0.083 177.428 177.300 0.076 0.000 1.201 327 P CA 0.098 63.243 63.100 0.075 0.000 0.775 327 P CB 0.646 32.374 31.700 0.047 0.000 0.854 328 A N 1.986 124.831 122.820 0.043 0.000 2.172 328 A HA -0.121 4.200 4.320 0.001 0.000 0.216 328 A C 0.962 178.573 177.584 0.046 0.000 1.154 328 A CA 1.684 53.740 52.037 0.031 0.000 0.701 328 A CB -0.969 18.042 19.000 0.019 0.000 0.789 328 A HN 0.676 nan 8.150 nan 0.000 0.465 329 D N -2.815 117.618 120.400 0.055 0.000 2.538 329 D HA 0.042 4.683 4.640 0.001 0.000 0.231 329 D C 0.355 176.699 176.300 0.074 0.000 1.229 329 D CA -0.558 53.474 54.000 0.052 0.000 0.828 329 D CB -0.748 40.068 40.800 0.026 0.000 1.035 329 D HN 0.300 nan 8.370 nan 0.000 0.495 330 H N 2.536 121.611 119.070 0.008 0.000 3.157 330 H HA -0.072 4.485 4.556 0.001 0.000 0.299 330 H C 1.140 176.473 175.328 0.008 0.000 0.961 330 H CA 0.875 56.929 56.048 0.010 0.000 1.428 330 H CB 0.796 30.567 29.762 0.016 0.000 1.459 330 H HN 0.304 nan 8.280 nan 0.000 0.566 331 D N 4.486 124.946 120.400 0.100 0.000 2.203 331 D HA -0.248 4.392 4.640 0.001 0.000 0.199 331 D C 1.781 178.187 176.300 0.177 0.000 0.997 331 D CA 0.986 55.048 54.000 0.103 0.000 0.863 331 D CB 0.079 40.888 40.800 0.014 0.000 0.928 331 D HN 0.354 nan 8.370 nan 0.000 0.458 332 R N 0.223 120.962 120.500 0.399 0.000 2.119 332 R HA 0.189 4.530 4.340 0.001 0.000 0.222 332 R C 2.455 178.767 176.300 0.021 0.000 1.088 332 R CA 0.469 56.644 56.100 0.125 0.000 0.984 332 R CB -0.485 29.831 30.300 0.028 0.000 0.884 332 R HN 0.263 nan 8.270 nan 0.000 0.447 333 L N -0.529 120.735 121.223 0.069 0.000 2.240 333 L HA -0.029 4.312 4.340 0.001 0.000 0.211 333 L C 1.911 178.823 176.870 0.070 0.000 1.106 333 L CA 0.369 55.247 54.840 0.065 0.000 0.793 333 L CB -0.179 41.917 42.059 0.061 0.000 0.927 333 L HN -0.017 nan 8.230 nan 0.000 0.446 334 V N -0.267 119.693 119.914 0.077 0.000 2.407 334 V HA -0.244 3.876 4.120 0.001 0.000 0.248 334 V C 2.535 178.663 176.094 0.056 0.000 1.055 334 V CA 1.395 63.733 62.300 0.064 0.000 1.049 334 V CB -0.569 31.289 31.823 0.058 0.000 0.662 334 V HN 0.387 nan 8.190 nan 0.000 0.455 335 K N 0.585 120.999 120.400 0.024 0.000 2.113 335 K HA -0.153 4.168 4.320 0.001 0.000 0.208 335 K C 2.240 178.869 176.600 0.048 0.000 1.047 335 K CA 1.701 57.988 56.287 -0.000 0.000 0.928 335 K CB -0.692 31.749 32.500 -0.097 0.000 0.716 335 K HN 0.523 nan 8.250 nan 0.000 0.446 336 A N 0.909 123.752 122.820 0.038 0.000 1.854 336 A HA 0.006 4.326 4.320 0.001 0.000 0.214 336 A C 2.535 180.250 177.584 0.218 0.000 1.192 336 A CA 1.772 53.892 52.037 0.138 0.000 0.611 336 A CB -1.131 17.958 19.000 0.148 0.000 0.832 336 A HN 0.346 nan 8.150 nan 0.000 0.442 337 G N -0.105 108.776 108.800 0.135 0.000 2.476 337 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 337 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 337 G C 1.395 176.372 174.900 0.128 0.000 1.164 337 G CA 1.200 46.367 45.100 0.110 0.000 0.768 337 G HN 0.487 nan 8.290 nan 0.000 0.560 338 E N -0.287 119.992 120.200 0.131 0.000 2.051 338 E HA -0.144 4.206 4.350 0.001 0.000 0.192 338 E C 2.037 178.735 176.600 0.163 0.000 0.991 338 E CA 0.954 57.427 56.400 0.122 0.000 0.799 338 E CB -0.441 29.323 29.700 0.106 0.000 0.748 338 E HN 0.671 nan 8.360 nan 0.000 0.449 339 W N 1.925 123.248 121.300 0.039 0.000 2.335 339 W HA -0.168 4.493 4.660 0.001 0.000 0.311 339 W C 2.116 178.680 176.519 0.076 0.000 1.213 339 W CA 1.517 58.897 57.345 0.058 0.000 1.274 339 W CB -0.528 28.981 29.460 0.082 0.000 1.148 339 W HN -0.028 nan 8.180 nan 0.000 0.498 340 L N 0.097 121.414 121.223 0.157 0.000 2.042 340 L HA -0.289 4.051 4.340 0.001 0.000 0.210 340 L C 2.530 179.452 176.870 0.087 0.000 1.076 340 L CA 1.432 56.283 54.840 0.019 0.000 0.749 340 L CB -1.163 40.947 42.059 0.085 0.000 0.893 340 L HN 0.070 nan 8.230 nan 0.000 0.432 341 L N -0.462 120.814 121.223 0.088 0.000 2.127 341 L HA -0.241 4.100 4.340 0.001 0.000 0.211 341 L C 1.898 178.743 176.870 -0.042 0.000 1.089 341 L CA 1.109 55.999 54.840 0.084 0.000 0.757 341 L CB -0.613 41.482 42.059 0.060 0.000 0.899 341 L HN 0.350 nan 8.230 nan 0.000 0.434 342 D N -0.503 119.821 120.400 -0.127 0.000 2.363 342 D HA -0.058 4.583 4.640 0.001 0.000 0.220 342 D C 2.107 178.229 176.300 -0.296 0.000 0.994 342 D CA 0.431 54.313 54.000 -0.197 0.000 0.890 342 D CB 0.124 40.809 40.800 -0.191 0.000 0.906 342 D HN 0.247 nan 8.370 nan 0.000 0.530 343 R N 0.521 120.820 120.500 -0.334 0.000 2.223 343 R HA 0.054 4.395 4.340 0.001 0.000 0.198 343 R C 1.040 177.089 176.300 -0.418 0.000 0.984 343 R CA -0.069 55.815 56.100 -0.360 0.000 1.018 343 R CB -0.363 29.709 30.300 -0.380 0.000 0.945 343 R HN 0.317 nan 8.270 nan 0.000 0.479 344 Q N 1.634 121.053 119.800 -0.636 0.000 2.283 344 Q HA -0.046 4.295 4.340 0.001 0.000 0.301 344 Q C -0.436 175.146 176.000 -0.698 0.000 1.063 344 Q CA 0.268 55.321 55.803 -1.251 0.000 0.952 344 Q CB 0.485 28.607 28.738 -1.028 0.000 1.166 344 Q HN -0.050 nan 8.270 nan 0.000 0.381 345 I N 4.063 124.219 120.570 -0.690 0.000 2.472 345 I HA 0.064 4.235 4.170 0.001 0.000 0.290 345 I C 1.118 177.026 176.117 -0.348 0.000 1.016 345 I CA 0.191 61.230 61.300 -0.435 0.000 1.348 345 I CB 0.956 38.724 38.000 -0.386 0.000 1.417 345 I HN 0.849 nan 8.210 nan 0.000 0.521 346 T N 1.293 115.715 114.554 -0.219 0.000 3.337 346 T HA 0.389 4.740 4.350 0.001 0.000 0.299 346 T C -0.168 174.505 174.700 -0.046 0.000 0.998 346 T CA -0.364 61.660 62.100 -0.127 0.000 0.948 346 T CB -0.598 68.200 68.868 -0.116 0.000 1.170 346 T HN 0.405 nan 8.240 nan 0.000 0.508 347 V N -2.014 117.884 119.914 -0.027 0.000 2.735 347 V HA 0.793 4.914 4.120 0.001 0.000 0.310 347 V C -3.209 172.963 176.094 0.130 0.000 1.061 347 V CA -3.146 59.169 62.300 0.026 0.000 0.913 347 V CB 1.572 33.378 31.823 -0.028 0.000 1.005 347 V HN -0.095 nan 8.190 nan 0.000 0.428 348 P HA 0.378 nan 4.420 nan 0.000 0.264 348 P C 0.299 177.534 177.300 -0.108 0.000 1.183 348 P CA 0.854 63.873 63.100 -0.136 0.000 0.763 348 P CB 0.641 32.203 31.700 -0.230 0.000 0.807 349 G N 1.142 109.681 108.800 -0.435 0.000 3.108 349 G HA2 0.153 4.114 3.960 0.001 0.000 0.268 349 G HA3 0.153 4.114 3.960 0.001 0.000 0.268 349 G C 0.275 174.937 174.900 -0.397 0.000 1.361 349 G CA -0.441 44.571 45.100 -0.146 0.000 1.047 349 G HN 0.302 nan 8.290 nan 0.000 0.540 350 D N -0.045 120.310 120.400 -0.076 0.000 2.309 350 D HA -0.091 4.549 4.640 0.001 0.000 0.212 350 D C 2.100 178.466 176.300 0.111 0.000 0.968 350 D CA 1.016 55.066 54.000 0.084 0.000 0.882 350 D CB 0.014 41.044 40.800 0.383 0.000 0.918 350 D HN 0.644 nan 8.370 nan 0.000 0.503 351 W N 0.962 122.394 121.300 0.219 0.000 2.467 351 W HA 0.145 4.805 4.660 0.001 0.000 0.275 351 W C 1.763 178.370 176.519 0.147 0.000 1.239 351 W CA 0.597 58.080 57.345 0.230 0.000 1.266 351 W CB -0.990 28.685 29.460 0.359 0.000 1.112 351 W HN -0.112 nan 8.180 nan 0.000 0.576 352 A N 1.641 124.038 122.820 -0.706 0.000 2.070 352 A HA -0.055 4.266 4.320 0.001 0.000 0.220 352 A C 2.167 179.593 177.584 -0.263 0.000 1.159 352 A CA 2.044 53.704 52.037 -0.629 0.000 0.656 352 A CB -0.863 17.648 19.000 -0.816 0.000 0.800 352 A HN 0.121 nan 8.150 nan 0.000 0.453 353 V N -0.085 119.685 119.914 -0.240 0.000 2.568 353 V HA -0.201 3.920 4.120 0.001 0.000 0.253 353 V C 2.111 178.128 176.094 -0.128 0.000 1.072 353 V CA 2.080 64.231 62.300 -0.248 0.000 1.084 353 V CB -0.482 31.053 31.823 -0.480 0.000 0.676 353 V HN 0.456 nan 8.190 nan 0.000 0.469 354 K N -0.637 119.744 120.400 -0.032 0.000 2.367 354 K HA 0.247 4.567 4.320 0.001 0.000 0.195 354 K C 0.651 177.283 176.600 0.052 0.000 1.060 354 K CA 0.136 56.437 56.287 0.023 0.000 1.022 354 K CB 0.628 33.171 32.500 0.071 0.000 0.894 354 K HN 0.235 nan 8.250 nan 0.000 0.540 355 R N 0.758 121.306 120.500 0.080 0.000 2.653 355 R HA 0.223 4.564 4.340 0.001 0.000 0.269 355 R C -2.336 174.011 176.300 0.078 0.000 1.603 355 R CA -1.550 54.626 56.100 0.126 0.000 1.671 355 R CB 0.950 31.407 30.300 0.262 0.000 1.300 355 R HN -0.122 nan 8.270 nan 0.000 0.668 356 P HA -0.064 nan 4.420 nan 0.000 0.216 356 P C 0.287 177.602 177.300 0.024 0.000 1.150 356 P CA 1.225 64.306 63.100 -0.031 0.000 0.837 356 P CB 0.246 31.926 31.700 -0.034 0.000 0.786 357 N N -0.788 117.951 118.700 0.065 0.000 2.362 357 N HA 0.087 4.828 4.740 0.001 0.000 0.211 357 N C -0.250 175.350 175.510 0.151 0.000 1.170 357 N CA -0.388 52.714 53.050 0.088 0.000 0.828 357 N CB -0.072 38.457 38.487 0.070 0.000 1.034 357 N HN 0.066 nan 8.380 nan 0.000 0.475 358 L N 1.507 122.869 121.223 0.232 0.000 2.282 358 L HA 0.293 4.634 4.340 0.001 0.000 0.288 358 L C -0.489 176.670 176.870 0.482 0.000 1.033 358 L CA -0.680 54.384 54.840 0.375 0.000 0.807 358 L CB 0.794 43.168 42.059 0.525 0.000 1.209 358 L HN -0.185 nan 8.230 nan 0.000 0.423 359 K N 5.989 126.626 120.400 0.394 0.000 2.322 359 K HA 0.355 4.675 4.320 0.001 0.000 0.283 359 K C -2.343 174.523 176.600 0.442 0.000 1.042 359 K CA -1.787 54.710 56.287 0.351 0.000 0.958 359 K CB 0.520 33.150 32.500 0.217 0.000 0.984 359 K HN 0.427 nan 8.250 nan 0.000 0.473 360 P HA 0.045 nan 4.420 nan 0.000 0.266 360 P C 0.485 177.713 177.300 -0.121 0.000 1.195 360 P CA 0.269 63.461 63.100 0.153 0.000 0.768 360 P CB 0.606 32.422 31.700 0.192 0.000 0.838 361 G N 1.047 109.549 108.800 -0.497 0.000 4.449 361 G HA2 0.204 4.164 3.960 0.001 0.000 0.195 361 G HA3 0.204 4.164 3.960 0.001 0.000 0.195 361 G C 0.386 174.976 174.900 -0.518 0.000 0.806 361 G CA 0.215 45.106 45.100 -0.347 0.000 0.774 361 G HN 0.762 nan 8.290 nan 0.000 0.508 362 G N 0.004 108.133 108.800 -1.118 0.000 2.562 362 G HA2 0.551 4.512 3.960 0.001 0.000 0.275 362 G HA3 0.551 4.512 3.960 0.001 0.000 0.275 362 G C -0.720 173.809 174.900 -0.617 0.000 1.196 362 G CA -0.427 44.114 45.100 -0.932 0.000 0.908 362 G HN 0.023 nan 8.290 nan 0.000 0.524 363 F N -0.515 119.247 119.950 -0.314 0.000 2.557 363 F HA 0.717 5.245 4.527 0.001 0.000 0.336 363 F C 0.819 176.573 175.800 -0.078 0.000 1.058 363 F CA -0.590 57.304 58.000 -0.177 0.000 0.988 363 F CB 1.726 40.668 39.000 -0.096 0.000 1.275 363 F HN 0.634 nan 8.300 nan 0.000 0.488 364 A N 0.464 123.377 122.820 0.154 0.000 2.263 364 A HA 0.519 4.839 4.320 0.001 0.000 0.318 364 A C 0.091 177.828 177.584 0.256 0.000 1.111 364 A CA -0.257 51.895 52.037 0.192 0.000 0.901 364 A CB 0.128 19.198 19.000 0.115 0.000 1.280 364 A HN 0.770 nan 8.150 nan 0.000 0.503 365 F N -0.322 119.704 119.950 0.127 0.000 2.262 365 F HA 0.056 4.584 4.527 0.001 0.000 0.292 365 F C 1.640 177.450 175.800 0.016 0.000 1.081 365 F CA 1.428 59.491 58.000 0.106 0.000 1.355 365 F CB 0.039 39.092 39.000 0.088 0.000 1.069 365 F HN 0.627 nan 8.300 nan 0.000 0.506 366 Q N -0.552 119.266 119.800 0.030 0.000 2.298 366 Q HA 0.149 4.489 4.340 0.001 0.000 0.181 366 Q C 0.982 176.815 176.000 -0.277 0.000 1.004 366 Q CA -0.449 55.200 55.803 -0.257 0.000 1.050 366 Q CB -0.633 28.062 28.738 -0.071 0.000 1.254 366 Q HN 0.173 nan 8.270 nan 0.000 0.531 367 F N 1.131 120.941 119.950 -0.233 0.000 1.988 367 F HA -0.131 4.397 4.527 0.001 0.000 0.296 367 F C 0.992 176.680 175.800 -0.187 0.000 1.178 367 F CA 1.789 59.648 58.000 -0.235 0.000 1.174 367 F CB -0.388 38.445 39.000 -0.278 0.000 0.963 367 F HN 0.541 nan 8.300 nan 0.000 0.489 368 D N -0.647 119.801 120.400 0.079 0.000 2.460 368 D HA 0.214 4.854 4.640 0.001 0.000 0.232 368 D C -1.212 175.060 176.300 -0.047 0.000 1.079 368 D CA -0.111 53.867 54.000 -0.037 0.000 0.864 368 D CB -0.008 40.749 40.800 -0.072 0.000 1.048 368 D HN 0.131 nan 8.370 nan 0.000 0.523 369 N N 3.478 122.146 118.700 -0.054 0.000 2.732 369 N HA 0.037 4.777 4.740 0.001 0.000 0.235 369 N C 0.644 176.117 175.510 -0.061 0.000 1.466 369 N CA -0.333 52.714 53.050 -0.006 0.000 0.751 369 N CB 0.727 39.289 38.487 0.125 0.000 1.317 369 N HN 0.133 nan 8.380 nan 0.000 0.525 370 V N -0.096 119.665 119.914 -0.254 0.000 2.515 370 V HA -0.037 4.083 4.120 0.001 0.000 0.250 370 V C 1.093 177.027 176.094 -0.267 0.000 1.058 370 V CA 1.285 63.379 62.300 -0.343 0.000 1.064 370 V CB -1.014 30.482 31.823 -0.546 0.000 0.675 370 V HN 0.360 nan 8.190 nan 0.000 0.461 371 Y N -0.400 119.827 120.300 -0.122 0.000 2.529 371 Y HA 0.321 4.871 4.550 0.001 0.000 0.290 371 Y C 0.433 176.025 175.900 -0.513 0.000 1.177 371 Y CA -0.442 57.464 58.100 -0.323 0.000 1.305 371 Y CB -0.646 37.487 38.460 -0.545 0.000 1.047 371 Y HN 0.413 nan 8.280 nan 0.000 0.522 372 Y N 0.054 120.522 120.300 0.280 0.000 2.634 372 Y HA 0.304 4.855 4.550 0.001 0.000 0.300 372 Y C -2.658 173.446 175.900 0.340 0.000 0.977 372 Y CA -3.391 54.886 58.100 0.296 0.000 1.134 372 Y CB 0.363 38.900 38.460 0.127 0.000 1.161 372 Y HN -0.095 nan 8.280 nan 0.000 0.623 373 P HA 0.102 nan 4.420 nan 0.000 0.281 373 P C -0.457 177.105 177.300 0.437 0.000 1.252 373 P CA 0.153 63.369 63.100 0.193 0.000 0.778 373 P CB 1.641 33.151 31.700 -0.316 0.000 0.895 374 D N 2.162 122.788 120.400 0.376 0.000 2.277 374 D HA 0.070 4.711 4.640 0.001 0.000 0.250 374 D C 1.038 177.494 176.300 0.260 0.000 1.032 374 D CA -0.767 53.341 54.000 0.181 0.000 0.947 374 D CB 1.501 42.165 40.800 -0.226 0.000 1.159 374 D HN 0.029 nan 8.370 nan 0.000 0.460 375 V N 0.721 120.716 119.914 0.135 0.000 2.548 375 V HA -0.189 3.931 4.120 0.001 0.000 0.249 375 V C 2.075 178.194 176.094 0.042 0.000 1.055 375 V CA 1.495 63.859 62.300 0.108 0.000 1.065 375 V CB -0.623 31.176 31.823 -0.041 0.000 0.681 375 V HN 0.670 nan 8.190 nan 0.000 0.462 376 D N 0.400 120.800 120.400 0.001 0.000 2.087 376 D HA -0.204 4.436 4.640 0.001 0.000 0.192 376 D C 1.908 178.383 176.300 0.292 0.000 0.993 376 D CA 1.677 55.741 54.000 0.106 0.000 0.828 376 D CB -0.104 40.661 40.800 -0.058 0.000 0.968 376 D HN 0.386 nan 8.370 nan 0.000 0.448 377 D N -0.343 120.244 120.400 0.311 0.000 2.092 377 D HA -0.130 4.510 4.640 0.001 0.000 0.193 377 D C 2.000 178.405 176.300 0.176 0.000 0.994 377 D CA 1.417 55.654 54.000 0.396 0.000 0.828 377 D CB -0.366 40.663 40.800 0.383 0.000 0.963 377 D HN 0.249 nan 8.370 nan 0.000 0.450 378 T N 1.353 116.020 114.554 0.188 0.000 2.624 378 T HA -0.214 4.137 4.350 0.001 0.000 0.268 378 T C 2.054 176.774 174.700 0.034 0.000 1.041 378 T CA 1.928 64.132 62.100 0.172 0.000 1.159 378 T CB -0.409 68.660 68.868 0.336 0.000 0.863 378 T HN 0.231 nan 8.240 nan 0.000 0.434 379 A N 0.867 123.692 122.820 0.009 0.000 1.883 379 A HA -0.088 4.232 4.320 0.001 0.000 0.217 379 A C 2.638 180.222 177.584 0.000 0.000 1.186 379 A CA 1.796 53.774 52.037 -0.098 0.000 0.624 379 A CB -1.095 17.784 19.000 -0.201 0.000 0.822 379 A HN 0.369 nan 8.150 nan 0.000 0.444 380 V N -0.379 119.561 119.914 0.045 0.000 2.261 380 V HA -0.233 3.888 4.120 0.001 0.000 0.246 380 V C 2.583 178.599 176.094 -0.129 0.000 1.047 380 V CA 1.948 64.255 62.300 0.011 0.000 1.015 380 V CB -0.979 30.763 31.823 -0.136 0.000 0.642 380 V HN 0.372 nan 8.190 nan 0.000 0.446 381 V N -0.058 119.716 119.914 -0.232 0.000 2.233 381 V HA -0.267 3.854 4.120 0.001 0.000 0.247 381 V C 2.445 178.342 176.094 -0.329 0.000 1.050 381 V CA 2.221 64.264 62.300 -0.429 0.000 1.010 381 V CB -0.701 30.537 31.823 -0.974 0.000 0.637 381 V HN 0.394 nan 8.190 nan 0.000 0.444 382 V N -0.956 118.823 119.914 -0.225 0.000 2.255 382 V HA -0.304 3.817 4.120 0.001 0.000 0.247 382 V C 2.090 178.250 176.094 0.111 0.000 1.051 382 V CA 2.502 64.818 62.300 0.027 0.000 1.018 382 V CB -0.904 31.032 31.823 0.190 0.000 0.641 382 V HN 0.825 nan 8.190 nan 0.000 0.445 383 W N 1.285 122.500 121.300 -0.143 0.000 2.350 383 W HA -0.177 4.484 4.660 0.001 0.000 0.289 383 W C 2.353 178.746 176.519 -0.211 0.000 1.215 383 W CA 1.591 58.794 57.345 -0.236 0.000 1.236 383 W CB -0.548 28.751 29.460 -0.268 0.000 1.130 383 W HN 0.223 nan 8.180 nan 0.000 0.541 384 A N 0.099 122.741 122.820 -0.297 0.000 1.929 384 A HA -0.091 4.230 4.320 0.001 0.000 0.216 384 A C 2.177 179.624 177.584 -0.227 0.000 1.176 384 A CA 1.612 53.398 52.037 -0.418 0.000 0.628 384 A CB -0.854 17.930 19.000 -0.359 0.000 0.816 384 A HN 0.346 nan 8.150 nan 0.000 0.444 385 L N -0.625 120.529 121.223 -0.114 0.000 2.179 385 L HA -0.090 4.250 4.340 0.001 0.000 0.208 385 L C 2.197 179.074 176.870 0.012 0.000 1.096 385 L CA 1.243 56.067 54.840 -0.026 0.000 0.779 385 L CB -0.509 41.568 42.059 0.030 0.000 0.922 385 L HN 0.443 nan 8.230 nan 0.000 0.443 386 N N 0.020 118.731 118.700 0.018 0.000 2.609 386 N HA -0.140 4.601 4.740 0.001 0.000 0.190 386 N C 1.263 176.761 175.510 -0.020 0.000 1.157 386 N CA 1.347 54.415 53.050 0.030 0.000 0.918 386 N CB 0.103 38.503 38.487 -0.145 0.000 0.978 386 N HN 0.341 nan 8.380 nan 0.000 0.448 387 T N -3.093 111.418 114.554 -0.072 0.000 3.132 387 T HA 0.340 4.691 4.350 0.001 0.000 0.274 387 T C 0.222 174.892 174.700 -0.050 0.000 1.011 387 T CA -0.434 61.619 62.100 -0.078 0.000 0.899 387 T CB -0.135 68.630 68.868 -0.172 0.000 1.089 387 T HN -0.068 nan 8.240 nan 0.000 0.543 388 L N 0.715 121.926 121.223 -0.021 0.000 2.333 388 L HA 0.653 4.993 4.340 0.001 0.000 0.263 388 L C -0.091 176.796 176.870 0.027 0.000 1.014 388 L CA -1.409 53.433 54.840 0.003 0.000 0.820 388 L CB 2.277 44.338 42.059 0.004 0.000 1.352 388 L HN -0.083 nan 8.230 nan 0.000 0.421 389 R N 2.656 123.176 120.500 0.033 0.000 2.335 389 R HA 0.501 4.842 4.340 0.001 0.000 0.302 389 R C -1.174 175.149 176.300 0.038 0.000 1.147 389 R CA -0.530 55.592 56.100 0.037 0.000 1.111 389 R CB 0.902 31.221 30.300 0.032 0.000 1.122 389 R HN 0.467 nan 8.270 nan 0.000 0.557 390 L N 3.514 124.763 121.223 0.042 0.000 2.375 390 L HA 0.282 4.623 4.340 0.001 0.000 0.271 390 L C -1.226 175.665 176.870 0.036 0.000 1.107 390 L CA -2.027 52.838 54.840 0.042 0.000 0.806 390 L CB 0.926 43.014 42.059 0.049 0.000 1.146 390 L HN 0.127 nan 8.230 nan 0.000 0.447 391 P HA -0.184 nan 4.420 nan 0.000 0.218 391 P C -0.090 177.225 177.300 0.024 0.000 1.146 391 P CA 1.303 64.418 63.100 0.024 0.000 0.820 391 P CB 0.111 31.824 31.700 0.022 0.000 0.778 392 D N -0.707 119.710 120.400 0.028 0.000 2.485 392 D HA 0.030 4.671 4.640 0.001 0.000 0.256 392 D C 0.953 177.272 176.300 0.032 0.000 1.141 392 D CA -0.200 53.816 54.000 0.027 0.000 0.942 392 D CB -0.103 40.711 40.800 0.025 0.000 1.003 392 D HN -0.167 nan 8.370 nan 0.000 0.507 393 E N 1.446 121.666 120.200 0.032 0.000 2.396 393 E HA -0.188 4.162 4.350 0.001 0.000 0.200 393 E C 1.588 178.211 176.600 0.037 0.000 1.023 393 E CA 0.353 56.775 56.400 0.038 0.000 0.857 393 E CB 0.229 29.950 29.700 0.035 0.000 0.775 393 E HN 0.363 nan 8.360 nan 0.000 0.525 394 R N 1.460 121.978 120.500 0.030 0.000 2.061 394 R HA -0.041 4.299 4.340 0.001 0.000 0.230 394 R C 2.189 178.507 176.300 0.030 0.000 1.140 394 R CA 1.822 57.937 56.100 0.025 0.000 0.940 394 R CB -0.504 29.807 30.300 0.018 0.000 0.839 394 R HN 0.026 nan 8.270 nan 0.000 0.429 395 R N -0.159 120.359 120.500 0.031 0.000 2.148 395 R HA 0.010 4.351 4.340 0.001 0.000 0.223 395 R C 2.373 178.705 176.300 0.054 0.000 1.088 395 R CA 1.217 57.338 56.100 0.034 0.000 0.985 395 R CB -0.152 30.164 30.300 0.027 0.000 0.880 395 R HN 0.180 nan 8.270 nan 0.000 0.451 396 R N -0.031 120.506 120.500 0.061 0.000 2.073 396 R HA -0.123 4.218 4.340 0.001 0.000 0.229 396 R C 2.197 178.554 176.300 0.095 0.000 1.120 396 R CA 1.442 57.592 56.100 0.082 0.000 0.967 396 R CB -0.058 30.287 30.300 0.075 0.000 0.862 396 R HN -0.002 nan 8.270 nan 0.000 0.436 397 R N 0.734 121.279 120.500 0.075 0.000 2.075 397 R HA -0.119 4.222 4.340 0.001 0.000 0.232 397 R C 1.679 178.012 176.300 0.056 0.000 1.126 397 R CA 2.150 58.291 56.100 0.069 0.000 0.963 397 R CB -0.558 29.770 30.300 0.046 0.000 0.858 397 R HN 0.259 nan 8.270 nan 0.000 0.435 398 D N -0.570 119.859 120.400 0.048 0.000 2.117 398 D HA -0.034 4.607 4.640 0.001 0.000 0.198 398 D C 1.679 178.016 176.300 0.061 0.000 0.982 398 D CA 1.486 55.510 54.000 0.039 0.000 0.828 398 D CB -0.115 40.702 40.800 0.027 0.000 0.967 398 D HN 0.296 nan 8.370 nan 0.000 0.464 399 A N 0.375 123.245 122.820 0.083 0.000 1.865 399 A HA -0.211 4.110 4.320 0.001 0.000 0.217 399 A C 2.349 180.042 177.584 0.181 0.000 1.191 399 A CA 1.990 54.100 52.037 0.121 0.000 0.623 399 A CB -0.788 18.304 19.000 0.154 0.000 0.826 399 A HN 0.323 nan 8.150 nan 0.000 0.444 400 M N -0.757 118.960 119.600 0.194 0.000 2.082 400 M HA -0.176 4.304 4.480 0.001 0.000 0.258 400 M C 2.281 178.704 176.300 0.206 0.000 1.069 400 M CA 2.179 57.630 55.300 0.251 0.000 1.102 400 M CB -1.062 31.709 32.600 0.285 0.000 1.336 400 M HN 0.485 nan 8.290 nan 0.000 0.404 401 T N 0.708 115.316 114.554 0.091 0.000 2.652 401 T HA -0.161 4.189 4.350 0.001 0.000 0.267 401 T C 1.778 176.557 174.700 0.131 0.000 1.039 401 T CA 1.470 63.584 62.100 0.024 0.000 1.153 401 T CB -0.234 68.618 68.868 -0.026 0.000 0.863 401 T HN 0.384 nan 8.240 nan 0.000 0.428 402 K N 0.530 121.007 120.400 0.128 0.000 2.009 402 K HA -0.069 4.252 4.320 0.001 0.000 0.210 402 K C 2.690 179.421 176.600 0.219 0.000 1.049 402 K CA 1.426 57.798 56.287 0.140 0.000 0.929 402 K CB -0.676 31.865 32.500 0.068 0.000 0.714 402 K HN 0.395 nan 8.250 nan 0.000 0.440 403 G N 0.959 109.904 108.800 0.242 0.000 2.422 403 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 403 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 403 G C 1.348 176.478 174.900 0.383 0.000 1.146 403 G CA 0.457 45.748 45.100 0.318 0.000 0.769 403 G HN 0.193 nan 8.290 nan 0.000 0.547 404 F N 1.777 121.841 119.950 0.190 0.000 2.046 404 F HA -0.070 4.457 4.527 0.001 0.000 0.297 404 F C 2.899 178.827 175.800 0.213 0.000 1.123 404 F CA 1.780 59.881 58.000 0.169 0.000 1.199 404 F CB -0.302 38.677 39.000 -0.034 0.000 0.972 404 F HN 0.006 nan 8.300 nan 0.000 0.474 405 R N -1.323 119.519 120.500 0.571 0.000 2.105 405 R HA -0.247 4.094 4.340 0.001 0.000 0.239 405 R C 2.113 178.626 176.300 0.356 0.000 1.135 405 R CA 1.750 58.110 56.100 0.433 0.000 0.967 405 R CB -1.111 29.361 30.300 0.287 0.000 0.861 405 R HN 0.515 nan 8.270 nan 0.000 0.442 406 W N 1.673 123.062 121.300 0.149 0.000 2.355 406 W HA -0.141 4.520 4.660 0.001 0.000 0.309 406 W C 1.741 178.299 176.519 0.065 0.000 1.206 406 W CA 1.345 58.719 57.345 0.048 0.000 1.284 406 W CB -0.335 29.083 29.460 -0.069 0.000 1.145 406 W HN -0.074 nan 8.180 nan 0.000 0.502 407 I N -0.161 120.493 120.570 0.139 0.000 2.163 407 I HA -0.367 3.804 4.170 0.001 0.000 0.243 407 I C 2.162 178.371 176.117 0.154 0.000 1.085 407 I CA 1.681 62.940 61.300 -0.068 0.000 1.347 407 I CB -1.212 36.691 38.000 -0.162 0.000 1.044 407 I HN -0.187 nan 8.210 nan 0.000 0.408 408 V N 1.116 121.198 119.914 0.282 0.000 2.332 408 V HA -0.242 3.878 4.120 0.001 0.000 0.248 408 V C 2.404 178.647 176.094 0.249 0.000 1.055 408 V CA 2.155 64.692 62.300 0.395 0.000 1.038 408 V CB -1.406 30.660 31.823 0.405 0.000 0.651 408 V HN 0.617 nan 8.190 nan 0.000 0.450 409 G N -1.375 107.500 108.800 0.125 0.000 2.848 409 G HA2 -0.074 3.886 3.960 0.001 0.000 0.208 409 G HA3 -0.074 3.886 3.960 0.001 0.000 0.208 409 G C 1.220 176.086 174.900 -0.057 0.000 1.152 409 G CA 0.149 45.274 45.100 0.041 0.000 0.789 409 G HN 0.354 nan 8.290 nan 0.000 0.531 410 M N -0.189 119.371 119.600 -0.067 0.000 2.382 410 M HA 0.198 4.679 4.480 0.001 0.000 0.247 410 M C 1.008 177.301 176.300 -0.012 0.000 1.104 410 M CA -0.165 55.070 55.300 -0.108 0.000 1.030 410 M CB -0.274 32.120 32.600 -0.342 0.000 1.424 410 M HN 0.272 nan 8.290 nan 0.000 0.486 411 Q N 1.764 121.521 119.800 -0.073 0.000 2.247 411 Q HA 0.058 4.399 4.340 0.001 0.000 0.288 411 Q C -0.247 175.446 176.000 -0.512 0.000 1.079 411 Q CA 0.169 55.478 55.803 -0.824 0.000 0.932 411 Q CB 0.816 29.048 28.738 -0.844 0.000 1.133 411 Q HN 0.197 nan 8.270 nan 0.000 0.377 412 S N 1.971 117.348 115.700 -0.537 0.000 2.625 412 S HA 0.036 4.507 4.470 0.001 0.000 0.258 412 S C 1.139 175.550 174.600 -0.316 0.000 1.256 412 S CA -0.364 57.640 58.200 -0.326 0.000 0.983 412 S CB 0.878 63.909 63.200 -0.281 0.000 1.032 412 S HN 0.774 nan 8.310 nan 0.000 0.572 413 S N 1.922 117.492 115.700 -0.217 0.000 2.368 413 S HA -0.125 4.346 4.470 0.001 0.000 0.224 413 S C 1.470 175.950 174.600 -0.201 0.000 1.029 413 S CA 1.436 59.530 58.200 -0.177 0.000 0.988 413 S CB -0.648 62.485 63.200 -0.111 0.000 0.838 413 S HN 0.821 nan 8.310 nan 0.000 0.462 414 N N 1.088 119.650 118.700 -0.229 0.000 2.567 414 N HA 0.196 4.937 4.740 0.001 0.000 0.195 414 N C 1.001 176.318 175.510 -0.321 0.000 1.242 414 N CA 0.820 53.741 53.050 -0.215 0.000 0.884 414 N CB -0.503 37.875 38.487 -0.181 0.000 1.007 414 N HN 0.365 nan 8.380 nan 0.000 0.450 415 G N -2.150 106.403 108.800 -0.412 0.000 2.212 415 G HA2 -0.234 3.726 3.960 0.001 0.000 0.266 415 G HA3 -0.234 3.726 3.960 0.001 0.000 0.266 415 G C 0.408 174.864 174.900 -0.739 0.000 0.978 415 G CA 0.144 44.944 45.100 -0.501 0.000 0.632 415 G HN 0.827 nan 8.290 nan 0.000 0.537 416 G N -1.588 106.682 108.800 -0.883 0.000 2.528 416 G HA2 0.481 4.441 3.960 0.001 0.000 0.289 416 G HA3 0.481 4.441 3.960 0.001 0.000 0.289 416 G C -0.371 174.126 174.900 -0.672 0.000 1.192 416 G CA -0.580 43.961 45.100 -0.932 0.000 0.921 416 G HN 0.240 nan 8.290 nan 0.000 0.512 417 W N 0.378 121.546 121.300 -0.219 0.000 2.532 417 W HA 0.486 5.146 4.660 0.001 0.000 0.321 417 W C 0.601 177.085 176.519 -0.058 0.000 1.037 417 W CA -0.772 56.497 57.345 -0.127 0.000 1.220 417 W CB 1.797 31.195 29.460 -0.103 0.000 1.361 417 W HN 0.819 nan 8.180 nan 0.000 0.468 418 G N 1.343 110.246 108.800 0.172 0.000 2.580 418 G HA2 0.383 4.343 3.960 0.001 0.000 0.225 418 G HA3 0.383 4.343 3.960 0.001 0.000 0.225 418 G C 0.524 175.529 174.900 0.174 0.000 1.521 418 G CA 0.754 45.965 45.100 0.185 0.000 1.068 418 G HN 0.500 nan 8.290 nan 0.000 0.564 419 A N -3.024 119.888 122.820 0.154 0.000 1.964 419 A HA 0.496 4.816 4.320 0.001 0.000 0.198 419 A C 1.669 179.086 177.584 -0.278 0.000 1.599 419 A CA 0.626 52.583 52.037 -0.133 0.000 0.968 419 A CB 0.148 19.042 19.000 -0.176 0.000 1.029 419 A HN 0.491 nan 8.150 nan 0.000 0.508 420 Y N -0.030 120.457 120.300 0.311 0.000 2.701 420 Y HA 0.282 4.833 4.550 0.001 0.000 0.275 420 Y C 0.269 176.379 175.900 0.350 0.000 1.133 420 Y CA -0.519 57.797 58.100 0.360 0.000 1.241 420 Y CB 0.477 39.193 38.460 0.425 0.000 1.389 420 Y HN 0.111 nan 8.280 nan 0.000 0.486 421 D N -0.474 120.194 120.400 0.446 0.000 2.506 421 D HA 0.511 5.152 4.640 0.001 0.000 0.254 421 D C -0.865 175.560 176.300 0.209 0.000 1.089 421 D CA -0.348 53.858 54.000 0.343 0.000 1.050 421 D CB 2.656 43.649 40.800 0.322 0.000 1.221 421 D HN -0.291 nan 8.370 nan 0.000 0.589 422 V N 0.881 120.890 119.914 0.159 0.000 2.513 422 V HA 0.143 4.264 4.120 0.001 0.000 0.299 422 V C 0.041 176.166 176.094 0.052 0.000 1.035 422 V CA -0.583 61.760 62.300 0.071 0.000 0.889 422 V CB 1.503 33.351 31.823 0.041 0.000 0.988 422 V HN 0.582 nan 8.190 nan 0.000 0.440 423 D N 2.217 122.620 120.400 0.005 0.000 2.860 423 D HA -0.194 4.447 4.640 0.001 0.000 0.229 423 D C 0.689 177.007 176.300 0.030 0.000 1.169 423 D CA 0.805 54.803 54.000 -0.003 0.000 0.737 423 D CB -0.511 40.281 40.800 -0.014 0.000 1.080 423 D HN 0.737 nan 8.370 nan 0.000 0.424 424 N N 1.055 119.792 118.700 0.062 0.000 3.103 424 N HA -0.018 4.723 4.740 0.001 0.000 0.305 424 N C 0.482 176.018 175.510 0.044 0.000 1.232 424 N CA 0.660 53.752 53.050 0.070 0.000 1.190 424 N CB -0.055 38.498 38.487 0.110 0.000 1.461 424 N HN 0.220 nan 8.380 nan 0.000 0.538 425 T N -2.382 112.184 114.554 0.021 0.000 3.228 425 T HA 0.116 4.467 4.350 0.001 0.000 0.278 425 T C 0.566 175.257 174.700 -0.016 0.000 1.014 425 T CA -0.588 61.517 62.100 0.009 0.000 0.904 425 T CB -0.061 68.813 68.868 0.010 0.000 1.110 425 T HN 0.113 nan 8.240 nan 0.000 0.541 426 S N 1.237 116.916 115.700 -0.034 0.000 2.552 426 S HA 0.059 4.530 4.470 0.001 0.000 0.289 426 S C 0.668 175.209 174.600 -0.097 0.000 1.304 426 S CA -0.091 58.075 58.200 -0.058 0.000 1.063 426 S CB 0.366 63.517 63.200 -0.082 0.000 0.848 426 S HN 0.538 nan 8.310 nan 0.000 0.499 427 D N 3.381 123.741 120.400 -0.067 0.000 2.363 427 D HA 0.181 4.822 4.640 0.001 0.000 0.214 427 D C 1.359 177.596 176.300 -0.104 0.000 1.093 427 D CA -0.063 53.883 54.000 -0.090 0.000 0.837 427 D CB 0.030 40.830 40.800 -0.000 0.000 0.948 427 D HN 0.408 nan 8.370 nan 0.000 0.507 428 L N 1.223 122.393 121.223 -0.089 0.000 2.068 428 L HA 0.083 4.424 4.340 0.001 0.000 0.204 428 L C -0.630 176.071 176.870 -0.281 0.000 1.076 428 L CA 1.365 56.179 54.840 -0.042 0.000 0.753 428 L CB -1.835 40.226 42.059 0.003 0.000 0.910 428 L HN 0.169 nan 8.230 nan 0.000 0.439 429 P HA -0.129 nan 4.420 nan 0.000 0.225 429 P C 0.633 177.651 177.300 -0.470 0.000 1.148 429 P CA 0.938 63.672 63.100 -0.610 0.000 0.779 429 P CB -0.139 30.858 31.700 -1.172 0.000 0.780 430 N N -0.314 118.078 118.700 -0.512 0.000 2.421 430 N HA -0.046 4.695 4.740 0.001 0.000 0.201 430 N C 0.762 175.871 175.510 -0.668 0.000 1.198 430 N CA 0.502 53.236 53.050 -0.527 0.000 0.838 430 N CB -0.240 37.936 38.487 -0.517 0.000 1.011 430 N HN 0.434 nan 8.380 nan 0.000 0.463 431 H N -0.799 118.056 119.070 -0.359 0.000 3.440 431 H HA 0.218 4.775 4.556 0.001 0.000 0.259 431 H C 0.569 175.561 175.328 -0.560 0.000 1.120 431 H CA -0.393 55.396 56.048 -0.431 0.000 1.191 431 H CB 1.326 30.767 29.762 -0.535 0.000 1.537 431 H HN 0.017 nan 8.280 nan 0.000 0.547 432 I N 3.582 123.878 120.570 -0.457 0.000 2.710 432 I HA -0.019 4.151 4.170 0.001 0.000 0.286 432 I C -1.115 174.975 176.117 -0.044 0.000 1.181 432 I CA -1.477 59.670 61.300 -0.254 0.000 1.430 432 I CB 0.406 38.362 38.000 -0.073 0.000 1.367 432 I HN -0.091 nan 8.210 nan 0.000 0.577 433 P HA -0.215 nan 4.420 nan 0.000 0.216 433 P C 1.764 179.115 177.300 0.084 0.000 1.150 433 P CA 1.349 64.501 63.100 0.087 0.000 0.843 433 P CB 0.051 31.833 31.700 0.137 0.000 0.787 434 F N 0.405 120.334 119.950 -0.035 0.000 2.075 434 F HA -0.122 4.405 4.527 0.001 0.000 0.297 434 F C 0.714 176.438 175.800 -0.128 0.000 1.113 434 F CA 0.841 58.787 58.000 -0.090 0.000 1.218 434 F CB -0.858 38.096 39.000 -0.077 0.000 0.984 434 F HN -0.205 nan 8.300 nan 0.000 0.472 435 C N 3.493 122.730 119.300 -0.105 0.000 2.667 435 C HA 0.134 4.594 4.460 0.001 0.000 0.385 435 C C 0.793 175.677 174.990 -0.177 0.000 1.299 435 C CA 0.306 59.211 59.018 -0.188 0.000 1.554 435 C CB -1.801 25.913 27.740 -0.043 0.000 2.275 435 C HN 0.630 nan 8.230 nan 0.000 0.588 436 D N 0.593 120.870 120.400 -0.205 0.000 2.530 436 D HA 0.064 4.705 4.640 0.001 0.000 0.253 436 D C -0.358 175.958 176.300 0.027 0.000 1.338 436 D CA -0.087 53.858 54.000 -0.091 0.000 0.806 436 D CB -0.051 40.694 40.800 -0.091 0.000 1.160 436 D HN 0.396 nan 8.370 nan 0.000 0.514 437 F N 1.823 121.664 119.950 -0.183 0.000 2.539 437 F HA 0.515 5.043 4.527 0.001 0.000 0.328 437 F C 0.660 176.306 175.800 -0.257 0.000 1.148 437 F CA 0.714 58.644 58.000 -0.118 0.000 0.940 437 F CB 1.456 40.474 39.000 0.030 0.000 1.194 437 F HN 0.214 nan 8.300 nan 0.000 0.438 438 G N 4.585 112.868 108.800 -0.862 0.000 2.749 438 G HA2 -0.183 3.778 3.960 0.001 0.000 0.242 438 G HA3 -0.183 3.778 3.960 0.001 0.000 0.242 438 G C -0.486 173.935 174.900 -0.798 0.000 1.364 438 G CA -0.536 43.889 45.100 -1.125 0.000 0.888 438 G HN 0.719 nan 8.290 nan 0.000 0.566 439 E N -1.025 118.639 120.200 -0.893 0.000 2.392 439 E HA 0.395 4.745 4.350 0.001 0.000 0.256 439 E C 1.229 177.883 176.600 0.090 0.000 1.145 439 E CA 0.228 56.533 56.400 -0.159 0.000 0.929 439 E CB 1.353 31.218 29.700 0.276 0.000 0.998 439 E HN 0.591 nan 8.360 nan 0.000 0.442 440 V N -0.318 119.689 119.914 0.155 0.000 3.480 440 V HA 0.011 4.132 4.120 0.001 0.000 0.263 440 V C 0.623 176.685 176.094 -0.053 0.000 1.442 440 V CA 0.744 63.097 62.300 0.087 0.000 1.053 440 V CB 0.831 32.614 31.823 -0.066 0.000 0.846 440 V HN 0.751 nan 8.190 nan 0.000 0.440 441 T N -2.370 112.200 114.554 0.025 0.000 2.940 441 T HA 0.626 4.976 4.350 0.001 0.000 0.288 441 T C -0.987 173.805 174.700 0.154 0.000 1.045 441 T CA -0.402 61.677 62.100 -0.035 0.000 1.018 441 T CB 2.593 71.434 68.868 -0.045 0.000 1.151 441 T HN 0.047 nan 8.240 nan 0.000 0.529 442 D N 1.995 122.478 120.400 0.137 0.000 2.502 442 D HA 0.381 5.022 4.640 0.001 0.000 0.301 442 D C -2.410 174.052 176.300 0.270 0.000 1.202 442 D CA -1.833 52.385 54.000 0.363 0.000 0.878 442 D CB 0.713 41.744 40.800 0.385 0.000 1.062 442 D HN 0.321 nan 8.370 nan 0.000 0.499 443 P HA 0.342 nan 4.420 nan 0.000 0.278 443 P C -2.622 174.782 177.300 0.174 0.000 1.258 443 P CA -1.627 61.563 63.100 0.151 0.000 0.811 443 P CB 0.507 32.277 31.700 0.117 0.000 1.063 444 P HA 0.040 nan 4.420 nan 0.000 0.266 444 P C 0.010 177.442 177.300 0.221 0.000 1.195 444 P CA 0.608 63.746 63.100 0.063 0.000 0.768 444 P CB 0.201 31.763 31.700 -0.229 0.000 0.838 445 S N 0.842 116.707 115.700 0.275 0.000 2.677 445 S HA 0.421 4.892 4.470 0.001 0.000 0.304 445 S C 0.701 175.502 174.600 0.336 0.000 1.108 445 S CA -0.563 57.830 58.200 0.322 0.000 0.944 445 S CB 1.715 65.083 63.200 0.279 0.000 1.127 445 S HN 0.206 nan 8.310 nan 0.000 0.511 446 E N 1.426 121.757 120.200 0.218 0.000 2.028 446 E HA -0.082 4.268 4.350 0.001 0.000 0.190 446 E C 1.716 178.251 176.600 -0.108 0.000 0.984 446 E CA 1.599 58.030 56.400 0.051 0.000 0.800 446 E CB -0.296 29.389 29.700 -0.025 0.000 0.758 446 E HN 0.824 nan 8.360 nan 0.000 0.448 447 D N 1.040 121.332 120.400 -0.180 0.000 2.106 447 D HA -0.184 4.457 4.640 0.001 0.000 0.191 447 D C 2.005 177.982 176.300 -0.538 0.000 0.997 447 D CA 1.459 55.190 54.000 -0.448 0.000 0.834 447 D CB -0.713 39.841 40.800 -0.411 0.000 0.956 447 D HN 0.120 nan 8.370 nan 0.000 0.448 448 V N 1.360 121.153 119.914 -0.200 0.000 2.255 448 V HA -0.268 3.853 4.120 0.001 0.000 0.247 448 V C 2.881 178.933 176.094 -0.070 0.000 1.051 448 V CA 2.469 64.698 62.300 -0.117 0.000 1.018 448 V CB -1.128 30.738 31.823 0.071 0.000 0.641 448 V HN 0.317 nan 8.190 nan 0.000 0.445 449 T N 0.453 115.049 114.554 0.071 0.000 2.665 449 T HA -0.254 4.096 4.350 0.001 0.000 0.268 449 T C 2.071 176.781 174.700 0.017 0.000 1.035 449 T CA 1.889 64.114 62.100 0.208 0.000 1.151 449 T CB -0.588 68.477 68.868 0.328 0.000 0.862 449 T HN 0.599 nan 8.240 nan 0.000 0.438 450 A N 1.346 124.095 122.820 -0.117 0.000 1.873 450 A HA -0.247 4.073 4.320 0.001 0.000 0.218 450 A C 1.943 179.444 177.584 -0.138 0.000 1.193 450 A CA 2.114 54.041 52.037 -0.183 0.000 0.629 450 A CB -1.202 17.618 19.000 -0.300 0.000 0.826 450 A HN 0.758 nan 8.150 nan 0.000 0.447 451 H N -1.233 117.704 119.070 -0.222 0.000 2.422 451 H HA -0.095 4.462 4.556 0.001 0.000 0.298 451 H C 2.087 177.168 175.328 -0.412 0.000 1.098 451 H CA 0.910 56.809 56.048 -0.248 0.000 1.315 451 H CB -0.028 29.680 29.762 -0.089 0.000 1.382 451 H HN 0.349 nan 8.280 nan 0.000 0.523 452 V N 0.668 120.371 119.914 -0.352 0.000 2.270 452 V HA -0.229 3.892 4.120 0.001 0.000 0.245 452 V C 2.252 177.821 176.094 -0.875 0.000 1.043 452 V CA 1.325 63.143 62.300 -0.804 0.000 1.014 452 V CB -0.437 30.687 31.823 -1.165 0.000 0.645 452 V HN 0.212 nan 8.190 nan 0.000 0.447 453 L N 0.154 121.138 121.223 -0.398 0.000 2.046 453 L HA -0.169 4.171 4.340 0.001 0.000 0.208 453 L C 2.495 179.201 176.870 -0.273 0.000 1.077 453 L CA 1.984 56.745 54.840 -0.131 0.000 0.747 453 L CB -0.979 41.092 42.059 0.020 0.000 0.896 453 L HN 0.410 nan 8.230 nan 0.000 0.432 454 E N -1.139 118.809 120.200 -0.420 0.000 2.160 454 E HA -0.244 4.107 4.350 0.001 0.000 0.195 454 E C 2.370 178.371 176.600 -0.998 0.000 0.991 454 E CA 1.486 57.495 56.400 -0.651 0.000 0.810 454 E CB -0.459 28.800 29.700 -0.735 0.000 0.742 454 E HN 0.513 nan 8.360 nan 0.000 0.466 455 C N -0.587 118.173 119.300 -0.899 0.000 2.489 455 C HA -0.060 4.401 4.460 0.001 0.000 0.279 455 C C 2.298 177.026 174.990 -0.437 0.000 1.266 455 C CA 0.727 59.252 59.018 -0.821 0.000 1.707 455 C CB -1.481 25.852 27.740 -0.678 0.000 2.059 455 C HN 0.517 nan 8.230 nan 0.000 0.481 456 F N 1.990 121.852 119.950 -0.146 0.000 2.161 456 F HA 0.069 4.596 4.527 0.001 0.000 0.300 456 F C 2.611 178.506 175.800 0.159 0.000 1.089 456 F CA 1.366 59.446 58.000 0.133 0.000 1.282 456 F CB -1.664 37.413 39.000 0.128 0.000 1.010 456 F HN 0.367 nan 8.300 nan 0.000 0.485 457 G N -0.089 108.790 108.800 0.133 0.000 2.469 457 G HA2 -0.325 3.635 3.960 0.001 0.000 0.219 457 G HA3 -0.325 3.635 3.960 0.001 0.000 0.219 457 G C 1.824 176.746 174.900 0.036 0.000 1.150 457 G CA 1.532 46.677 45.100 0.075 0.000 0.763 457 G HN 0.473 nan 8.290 nan 0.000 0.561 458 S N 0.429 116.038 115.700 -0.152 0.000 2.400 458 S HA -0.075 4.396 4.470 0.001 0.000 0.232 458 S C 2.042 176.603 174.600 -0.065 0.000 1.025 458 S CA 1.336 59.454 58.200 -0.137 0.000 0.993 458 S CB -0.530 62.547 63.200 -0.205 0.000 0.808 458 S HN 0.212 nan 8.310 nan 0.000 0.478 459 F N 2.231 122.308 119.950 0.211 0.000 2.456 459 F HA 0.345 4.873 4.527 0.001 0.000 0.298 459 F C 2.394 178.377 175.800 0.304 0.000 1.104 459 F CA 0.404 58.568 58.000 0.273 0.000 1.435 459 F CB -0.577 38.618 39.000 0.325 0.000 1.078 459 F HN 0.499 nan 8.300 nan 0.000 0.546 460 G N -1.990 107.079 108.800 0.449 0.000 2.481 460 G HA2 -0.242 3.719 3.960 0.001 0.000 0.200 460 G HA3 -0.242 3.719 3.960 0.001 0.000 0.200 460 G C -0.100 174.989 174.900 0.315 0.000 1.012 460 G CA -0.586 44.695 45.100 0.301 0.000 0.676 460 G HN 0.073 nan 8.290 nan 0.000 0.488 461 Y N 4.252 124.666 120.300 0.190 0.000 2.852 461 Y HA 0.274 4.825 4.550 0.001 0.000 0.343 461 Y C 1.355 177.390 175.900 0.225 0.000 1.280 461 Y CA 0.187 58.387 58.100 0.168 0.000 1.604 461 Y CB 0.145 38.715 38.460 0.183 0.000 1.216 461 Y HN 0.510 nan 8.280 nan 0.000 0.541 462 D N 0.883 121.448 120.400 0.274 0.000 2.560 462 D HA 0.072 4.712 4.640 0.001 0.000 0.277 462 D C 0.582 177.032 176.300 0.251 0.000 1.194 462 D CA -0.371 53.766 54.000 0.228 0.000 1.092 462 D CB 0.391 41.275 40.800 0.139 0.000 1.169 462 D HN 0.436 nan 8.370 nan 0.000 0.607 463 D N -0.947 119.560 120.400 0.179 0.000 2.309 463 D HA -0.070 4.571 4.640 0.001 0.000 0.212 463 D C 1.883 178.274 176.300 0.153 0.000 0.968 463 D CA 1.353 55.446 54.000 0.156 0.000 0.882 463 D CB -0.214 40.655 40.800 0.115 0.000 0.918 463 D HN 0.432 nan 8.370 nan 0.000 0.503 464 A N -0.028 122.886 122.820 0.156 0.000 1.940 464 A HA -0.111 4.210 4.320 0.001 0.000 0.219 464 A C 0.938 178.650 177.584 0.214 0.000 1.176 464 A CA 0.580 52.702 52.037 0.140 0.000 0.631 464 A CB -0.915 18.144 19.000 0.099 0.000 0.814 464 A HN 0.496 nan 8.150 nan 0.000 0.446 465 W N 1.863 123.189 121.300 0.044 0.000 2.368 465 W HA 0.299 4.959 4.660 0.001 0.000 0.316 465 W C 1.275 177.826 176.519 0.054 0.000 1.375 465 W CA -0.768 56.609 57.345 0.053 0.000 1.261 465 W CB 0.552 30.077 29.460 0.108 0.000 1.298 465 W HN 0.354 nan 8.180 nan 0.000 0.539 466 K N 3.369 123.741 120.400 -0.047 0.000 2.034 466 K HA -0.267 4.054 4.320 0.001 0.000 0.214 466 K C 1.523 177.874 176.600 -0.415 0.000 1.051 466 K CA 2.607 58.775 56.287 -0.197 0.000 0.931 466 K CB -0.336 32.079 32.500 -0.142 0.000 0.715 466 K HN 0.435 nan 8.250 nan 0.000 0.446 467 V N 1.860 121.225 119.914 -0.913 0.000 2.317 467 V HA -0.319 3.801 4.120 0.001 0.000 0.251 467 V C 2.410 178.214 176.094 -0.484 0.000 1.065 467 V CA 1.749 63.512 62.300 -0.895 0.000 1.049 467 V CB -0.501 30.325 31.823 -1.661 0.000 0.651 467 V HN 0.375 nan 8.190 nan 0.000 0.450 468 I N -0.237 120.119 120.570 -0.357 0.000 2.202 468 I HA -0.193 3.978 4.170 0.001 0.000 0.242 468 I C 2.599 178.727 176.117 0.019 0.000 1.091 468 I CA 1.747 63.060 61.300 0.022 0.000 1.368 468 I CB -1.218 36.909 38.000 0.212 0.000 1.058 468 I HN 0.348 nan 8.210 nan 0.000 0.410 469 R N 1.329 121.816 120.500 -0.023 0.000 2.080 469 R HA -0.179 4.162 4.340 0.001 0.000 0.236 469 R C 2.489 178.770 176.300 -0.032 0.000 1.137 469 R CA 1.615 57.710 56.100 -0.008 0.000 0.943 469 R CB -0.139 30.152 30.300 -0.016 0.000 0.846 469 R HN 0.281 nan 8.270 nan 0.000 0.431 470 R N -0.102 120.341 120.500 -0.095 0.000 2.117 470 R HA -0.146 4.195 4.340 0.001 0.000 0.243 470 R C 2.346 178.604 176.300 -0.069 0.000 1.143 470 R CA 1.489 57.523 56.100 -0.109 0.000 0.968 470 R CB -0.413 29.768 30.300 -0.199 0.000 0.863 470 R HN 0.317 nan 8.270 nan 0.000 0.444 471 A N 0.778 123.565 122.820 -0.055 0.000 1.873 471 A HA -0.090 4.231 4.320 0.001 0.000 0.215 471 A C 2.408 180.065 177.584 0.123 0.000 1.186 471 A CA 1.281 53.347 52.037 0.050 0.000 0.616 471 A CB -0.510 18.603 19.000 0.187 0.000 0.823 471 A HN 0.104 nan 8.150 nan 0.000 0.442 472 V N 0.562 120.525 119.914 0.082 0.000 2.287 472 V HA -0.253 3.868 4.120 0.001 0.000 0.248 472 V C 2.552 178.675 176.094 0.048 0.000 1.053 472 V CA 2.180 64.521 62.300 0.069 0.000 1.027 472 V CB -0.836 31.029 31.823 0.071 0.000 0.646 472 V HN 0.519 nan 8.190 nan 0.000 0.447 473 E N -0.461 119.759 120.200 0.034 0.000 2.085 473 E HA -0.263 4.087 4.350 0.001 0.000 0.194 473 E C 2.058 178.689 176.600 0.052 0.000 0.994 473 E CA 1.832 58.240 56.400 0.014 0.000 0.801 473 E CB -0.512 29.190 29.700 0.004 0.000 0.743 473 E HN 0.781 nan 8.360 nan 0.000 0.453 474 Y N 1.572 121.850 120.300 -0.036 0.000 2.128 474 Y HA -0.192 4.359 4.550 0.001 0.000 0.284 474 Y C 2.224 178.140 175.900 0.027 0.000 1.154 474 Y CA 1.450 59.537 58.100 -0.023 0.000 1.149 474 Y CB -0.528 37.900 38.460 -0.053 0.000 0.976 474 Y HN -0.065 nan 8.280 nan 0.000 0.505 475 L N 0.059 121.207 121.223 -0.125 0.000 2.083 475 L HA -0.236 4.105 4.340 0.001 0.000 0.209 475 L C 2.450 179.395 176.870 0.126 0.000 1.083 475 L CA 1.753 56.497 54.840 -0.160 0.000 0.752 475 L CB -0.586 41.361 42.059 -0.188 0.000 0.899 475 L HN 0.154 nan 8.230 nan 0.000 0.433 476 K N 0.021 120.464 120.400 0.073 0.000 2.097 476 K HA -0.127 4.194 4.320 0.001 0.000 0.206 476 K C 2.178 178.774 176.600 -0.007 0.000 1.049 476 K CA 1.147 57.456 56.287 0.036 0.000 0.933 476 K CB -0.098 32.304 32.500 -0.164 0.000 0.717 476 K HN 0.310 nan 8.250 nan 0.000 0.442 477 R N 0.517 120.991 120.500 -0.043 0.000 2.236 477 R HA -0.019 4.321 4.340 0.001 0.000 0.208 477 R C 1.456 177.714 176.300 -0.070 0.000 1.036 477 R CA 0.618 56.685 56.100 -0.055 0.000 1.001 477 R CB 0.151 30.431 30.300 -0.034 0.000 0.896 477 R HN 0.152 nan 8.270 nan 0.000 0.464 478 E N 0.797 120.942 120.200 -0.092 0.000 2.415 478 E HA -0.036 4.315 4.350 0.001 0.000 0.197 478 E C 0.329 176.939 176.600 0.017 0.000 1.007 478 E CA 0.076 56.430 56.400 -0.077 0.000 0.890 478 E CB 0.203 29.754 29.700 -0.248 0.000 0.891 478 E HN 0.302 nan 8.360 nan 0.000 0.496 479 Q N 2.142 121.966 119.800 0.041 0.000 2.263 479 Q HA -0.058 4.283 4.340 0.001 0.000 0.289 479 Q C -0.201 175.575 176.000 -0.373 0.000 1.061 479 Q CA 0.232 55.787 55.803 -0.413 0.000 0.927 479 Q CB 0.556 29.030 28.738 -0.440 0.000 1.154 479 Q HN -0.277 nan 8.270 nan 0.000 0.378 480 K N 4.772 124.892 120.400 -0.468 0.000 2.276 480 K HA 0.068 4.389 4.320 0.001 0.000 0.259 480 K C -1.794 174.601 176.600 -0.342 0.000 1.001 480 K CA -1.695 54.388 56.287 -0.339 0.000 0.927 480 K CB -0.057 32.224 32.500 -0.365 0.000 0.969 480 K HN 0.501 nan 8.250 nan 0.000 0.490 481 P HA -0.199 nan 4.420 nan 0.000 0.216 481 P C 0.411 177.587 177.300 -0.206 0.000 1.157 481 P CA 1.535 64.524 63.100 -0.185 0.000 0.880 481 P CB 0.090 31.712 31.700 -0.129 0.000 0.791 482 D N -1.611 118.633 120.400 -0.261 0.000 2.332 482 D HA 0.028 4.669 4.640 0.001 0.000 0.244 482 D C 1.112 177.179 176.300 -0.388 0.000 1.136 482 D CA 0.684 54.544 54.000 -0.233 0.000 0.884 482 D CB -1.051 39.646 40.800 -0.171 0.000 0.906 482 D HN 0.242 nan 8.370 nan 0.000 0.520 483 G N 0.843 109.367 108.800 -0.460 0.000 2.179 483 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 483 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 483 G C 0.269 174.628 174.900 -0.902 0.000 1.010 483 G CA 0.583 45.337 45.100 -0.577 0.000 0.736 483 G HN 0.758 nan 8.290 nan 0.000 0.513 484 S N -1.025 114.037 115.700 -1.063 0.000 2.681 484 S HA 0.821 5.291 4.470 0.001 0.000 0.299 484 S C -0.416 173.705 174.600 -0.798 0.000 1.113 484 S CA -0.995 56.503 58.200 -1.170 0.000 1.013 484 S CB 2.042 64.169 63.200 -1.789 0.000 1.076 484 S HN 0.461 nan 8.310 nan 0.000 0.534 485 W N 1.620 122.771 121.300 -0.248 0.000 2.538 485 W HA 0.403 5.064 4.660 0.001 0.000 0.322 485 W C -0.454 176.118 176.519 0.088 0.000 1.028 485 W CA -1.732 55.575 57.345 -0.064 0.000 1.228 485 W CB 1.360 30.745 29.460 -0.124 0.000 1.356 485 W HN 0.766 nan 8.180 nan 0.000 0.452 486 F N 2.398 122.480 119.950 0.220 0.000 2.628 486 F HA 0.311 4.839 4.527 0.001 0.000 0.362 486 F C 0.760 176.521 175.800 -0.065 0.000 1.148 486 F CA 0.713 58.709 58.000 -0.008 0.000 1.352 486 F CB 0.613 39.631 39.000 0.031 0.000 1.081 486 F HN 0.276 nan 8.300 nan 0.000 0.605 487 G N 5.442 113.568 108.800 -1.123 0.000 2.468 487 G HA2 0.401 4.362 3.960 0.001 0.000 0.315 487 G HA3 0.401 4.362 3.960 0.001 0.000 0.315 487 G C 0.183 174.518 174.900 -0.941 0.000 1.203 487 G CA -0.652 44.029 45.100 -0.698 0.000 0.962 487 G HN 0.775 nan 8.290 nan 0.000 0.476 488 R N 2.539 122.711 120.500 -0.548 0.000 2.051 488 R HA 0.045 4.386 4.340 0.001 0.000 0.225 488 R C 0.559 176.526 176.300 -0.554 0.000 1.155 488 R CA 1.018 56.810 56.100 -0.513 0.000 0.945 488 R CB -0.239 29.838 30.300 -0.372 0.000 0.840 488 R HN 0.600 nan 8.270 nan 0.000 0.432 489 W N 0.531 121.775 121.300 -0.093 0.000 2.564 489 W HA 0.593 5.253 4.660 0.001 0.000 0.414 489 W C -0.271 176.078 176.519 -0.283 0.000 0.700 489 W CA 0.022 57.271 57.345 -0.160 0.000 2.430 489 W CB 0.582 29.940 29.460 -0.169 0.000 1.529 489 W HN 0.332 nan 8.180 nan 0.000 0.795 490 G N -0.416 108.260 108.800 -0.205 0.000 2.387 490 G HA2 0.274 4.234 3.960 0.001 0.000 0.309 490 G HA3 0.274 4.234 3.960 0.001 0.000 0.309 490 G C -1.511 173.246 174.900 -0.238 0.000 1.641 490 G CA -1.039 43.701 45.100 -0.600 0.000 0.904 490 G HN -0.151 nan 8.290 nan 0.000 0.661 491 V N 3.554 123.449 119.914 -0.031 0.000 2.397 491 V HA 0.323 4.443 4.120 0.001 0.000 0.262 491 V C 0.615 176.763 176.094 0.090 0.000 1.047 491 V CA 0.375 62.700 62.300 0.042 0.000 1.003 491 V CB 0.545 32.413 31.823 0.074 0.000 1.037 491 V HN 0.878 nan 8.190 nan 0.000 0.480 492 N N 3.556 122.256 118.700 0.001 0.000 2.640 492 N HA 0.016 4.756 4.740 0.001 0.000 0.340 492 N C 1.115 176.472 175.510 -0.256 0.000 1.155 492 N CA 0.025 52.895 53.050 -0.300 0.000 1.690 492 N CB -0.046 38.065 38.487 -0.627 0.000 0.741 492 N HN 0.268 nan 8.380 nan 0.000 1.523 493 Y N 2.389 122.676 120.300 -0.022 0.000 2.314 493 Y HA 0.261 4.812 4.550 0.001 0.000 0.293 493 Y C 2.334 178.287 175.900 0.088 0.000 1.129 493 Y CA 0.873 58.962 58.100 -0.018 0.000 1.201 493 Y CB -0.249 38.200 38.460 -0.019 0.000 0.999 493 Y HN 0.180 nan 8.280 nan 0.000 0.541 494 L N -1.687 119.759 121.223 0.372 0.000 2.201 494 L HA -0.219 4.122 4.340 0.001 0.000 0.212 494 L C 2.123 179.099 176.870 0.178 0.000 1.105 494 L CA 1.177 56.208 54.840 0.318 0.000 0.775 494 L CB -0.520 41.717 42.059 0.297 0.000 0.913 494 L HN 0.253 nan 8.230 nan 0.000 0.440 495 Y N 0.609 120.833 120.300 -0.126 0.000 2.206 495 Y HA -0.005 4.546 4.550 0.001 0.000 0.292 495 Y C 2.291 177.922 175.900 -0.449 0.000 1.123 495 Y CA 1.236 58.953 58.100 -0.638 0.000 1.142 495 Y CB -0.602 37.336 38.460 -0.869 0.000 1.006 495 Y HN -0.006 nan 8.280 nan 0.000 0.518 496 G N -0.840 107.749 108.800 -0.352 0.000 2.414 496 G HA2 -0.223 3.737 3.960 0.001 0.000 0.215 496 G HA3 -0.223 3.737 3.960 0.001 0.000 0.215 496 G C 1.646 176.446 174.900 -0.168 0.000 1.188 496 G CA 1.475 46.374 45.100 -0.335 0.000 0.783 496 G HN 0.406 nan 8.290 nan 0.000 0.537 497 T N 1.148 115.729 114.554 0.044 0.000 2.665 497 T HA -0.108 4.243 4.350 0.001 0.000 0.268 497 T C 2.475 177.199 174.700 0.040 0.000 1.035 497 T CA 1.664 63.890 62.100 0.210 0.000 1.151 497 T CB -0.727 68.233 68.868 0.153 0.000 0.862 497 T HN 0.367 nan 8.240 nan 0.000 0.438 498 G N 0.840 109.604 108.800 -0.059 0.000 2.432 498 G HA2 -0.032 3.929 3.960 0.001 0.000 0.219 498 G HA3 -0.032 3.929 3.960 0.001 0.000 0.219 498 G C 1.771 176.566 174.900 -0.175 0.000 1.135 498 G CA 0.952 45.993 45.100 -0.098 0.000 0.767 498 G HN 0.603 nan 8.290 nan 0.000 0.550 499 A N 0.091 122.721 122.820 -0.316 0.000 1.872 499 A HA 0.163 4.484 4.320 0.001 0.000 0.214 499 A C 2.605 180.016 177.584 -0.288 0.000 1.187 499 A CA 1.677 53.526 52.037 -0.313 0.000 0.614 499 A CB -0.608 18.079 19.000 -0.521 0.000 0.826 499 A HN 0.222 nan 8.150 nan 0.000 0.442 500 V N -0.125 119.551 119.914 -0.397 0.000 2.223 500 V HA -0.257 3.863 4.120 0.001 0.000 0.244 500 V C 2.574 178.431 176.094 -0.395 0.000 1.045 500 V CA 2.130 64.084 62.300 -0.578 0.000 1.000 500 V CB -1.137 29.915 31.823 -1.285 0.000 0.635 500 V HN 0.348 nan 8.190 nan 0.000 0.445 501 V N -0.019 119.744 119.914 -0.253 0.000 2.278 501 V HA -0.319 3.801 4.120 0.001 0.000 0.251 501 V C 2.714 178.746 176.094 -0.102 0.000 1.062 501 V CA 2.534 64.770 62.300 -0.107 0.000 1.038 501 V CB -0.963 30.862 31.823 0.003 0.000 0.646 501 V HN 0.629 nan 8.190 nan 0.000 0.447 502 S N -0.513 115.124 115.700 -0.104 0.000 2.383 502 S HA -0.193 4.278 4.470 0.001 0.000 0.229 502 S C 2.049 176.582 174.600 -0.111 0.000 1.030 502 S CA 1.716 59.868 58.200 -0.079 0.000 1.002 502 S CB -0.279 62.886 63.200 -0.059 0.000 0.829 502 S HN 0.644 nan 8.310 nan 0.000 0.467 503 A N 1.496 124.223 122.820 -0.155 0.000 1.854 503 A HA 0.171 4.492 4.320 0.001 0.000 0.214 503 A C 2.159 179.676 177.584 -0.112 0.000 1.192 503 A CA 1.211 53.147 52.037 -0.169 0.000 0.611 503 A CB -0.910 17.977 19.000 -0.189 0.000 0.832 503 A HN 0.549 nan 8.150 nan 0.000 0.442 504 L N -0.358 120.797 121.223 -0.112 0.000 2.189 504 L HA -0.202 4.139 4.340 0.001 0.000 0.214 504 L C 2.591 179.448 176.870 -0.022 0.000 1.097 504 L CA 1.509 56.319 54.840 -0.050 0.000 0.764 504 L CB -0.454 41.570 42.059 -0.058 0.000 0.900 504 L HN 0.342 nan 8.230 nan 0.000 0.436 505 K N 0.770 121.146 120.400 -0.040 0.000 2.167 505 K HA -0.046 4.275 4.320 0.001 0.000 0.203 505 K C 1.951 178.546 176.600 -0.007 0.000 1.052 505 K CA 1.353 57.629 56.287 -0.018 0.000 0.956 505 K CB 0.091 32.578 32.500 -0.021 0.000 0.735 505 K HN 0.260 nan 8.250 nan 0.000 0.451 506 A N 0.805 123.607 122.820 -0.031 0.000 2.072 506 A HA -0.023 4.298 4.320 0.001 0.000 0.216 506 A C 1.854 179.447 177.584 0.015 0.000 1.156 506 A CA 1.015 53.035 52.037 -0.028 0.000 0.701 506 A CB -0.251 18.685 19.000 -0.107 0.000 0.816 506 A HN 0.161 nan 8.150 nan 0.000 0.458 507 V N -3.636 116.297 119.914 0.033 0.000 3.573 507 V HA 0.467 4.588 4.120 0.001 0.000 0.270 507 V C 1.409 177.567 176.094 0.106 0.000 1.221 507 V CA 0.951 63.310 62.300 0.099 0.000 1.163 507 V CB -0.817 31.074 31.823 0.114 0.000 0.847 507 V HN 1.256 nan 8.190 nan 0.000 0.468 508 G N 0.230 109.075 108.800 0.075 0.000 2.258 508 G HA2 -0.218 3.743 3.960 0.001 0.000 0.233 508 G HA3 -0.218 3.743 3.960 0.001 0.000 0.233 508 G C 0.029 174.970 174.900 0.068 0.000 1.006 508 G CA -0.025 45.119 45.100 0.074 0.000 0.620 508 G HN 0.425 nan 8.290 nan 0.000 0.511 509 I N 2.181 122.796 120.570 0.074 0.000 2.948 509 I HA 0.075 4.246 4.170 0.001 0.000 0.303 509 I C 0.755 176.907 176.117 0.059 0.000 1.224 509 I CA -0.076 61.274 61.300 0.083 0.000 1.442 509 I CB 0.144 38.206 38.000 0.103 0.000 1.328 509 I HN 0.338 nan 8.210 nan 0.000 0.578 510 D N 3.811 124.251 120.400 0.066 0.000 2.371 510 D HA 0.042 4.683 4.640 0.001 0.000 0.256 510 D C 1.314 177.620 176.300 0.010 0.000 1.193 510 D CA -0.002 54.024 54.000 0.043 0.000 0.881 510 D CB 0.856 41.689 40.800 0.055 0.000 1.143 510 D HN 0.680 nan 8.370 nan 0.000 0.473 511 T N 1.231 115.782 114.554 -0.005 0.000 3.118 511 T HA -0.092 4.259 4.350 0.001 0.000 0.260 511 T C 1.674 176.351 174.700 -0.038 0.000 1.139 511 T CA 0.327 62.407 62.100 -0.034 0.000 1.085 511 T CB -0.060 68.798 68.868 -0.016 0.000 0.934 511 T HN 0.405 nan 8.240 nan 0.000 0.518 512 R N 0.815 121.308 120.500 -0.012 0.000 2.275 512 R HA 0.074 4.414 4.340 0.001 0.000 0.199 512 R C 0.140 176.439 176.300 -0.002 0.000 0.989 512 R CA 0.014 56.113 56.100 -0.001 0.000 1.016 512 R CB 0.043 30.353 30.300 0.017 0.000 0.918 512 R HN 0.354 nan 8.270 nan 0.000 0.473 513 E N 1.044 121.239 120.200 -0.009 0.000 2.508 513 E HA -0.101 4.249 4.350 0.001 0.000 0.266 513 E C -1.866 174.738 176.600 0.007 0.000 1.010 513 E CA -0.985 55.438 56.400 0.038 0.000 0.955 513 E CB 0.440 30.191 29.700 0.085 0.000 0.946 513 E HN 0.124 nan 8.360 nan 0.000 0.454 514 P HA -0.196 nan 4.420 nan 0.000 0.211 514 P C 1.404 178.762 177.300 0.098 0.000 1.179 514 P CA 1.754 64.920 63.100 0.109 0.000 0.910 514 P CB -0.263 31.521 31.700 0.140 0.000 0.785 515 Y N -1.167 119.139 120.300 0.011 0.000 2.315 515 Y HA -0.154 4.397 4.550 0.001 0.000 0.288 515 Y C 1.878 177.788 175.900 0.016 0.000 1.154 515 Y CA 0.634 58.727 58.100 -0.012 0.000 1.229 515 Y CB -1.933 36.534 38.460 0.011 0.000 0.980 515 Y HN -0.099 nan 8.280 nan 0.000 0.540 516 I N 0.645 120.838 120.570 -0.630 0.000 2.133 516 I HA -0.218 3.953 4.170 0.001 0.000 0.238 516 I C 2.417 178.443 176.117 -0.151 0.000 1.074 516 I CA 1.275 62.316 61.300 -0.432 0.000 1.342 516 I CB -1.346 36.387 38.000 -0.446 0.000 1.053 516 I HN 0.307 nan 8.210 nan 0.000 0.404 517 Q N 0.848 120.586 119.800 -0.104 0.000 2.096 517 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 517 Q C 2.173 178.167 176.000 -0.009 0.000 0.982 517 Q CA 1.408 57.192 55.803 -0.031 0.000 0.850 517 Q CB -0.565 28.167 28.738 -0.010 0.000 0.901 517 Q HN 0.489 nan 8.270 nan 0.000 0.422 518 K N 0.135 120.522 120.400 -0.022 0.000 2.360 518 K HA -0.099 4.222 4.320 0.001 0.000 0.201 518 K C 1.750 178.335 176.600 -0.025 0.000 1.046 518 K CA 0.949 57.227 56.287 -0.015 0.000 0.940 518 K CB 0.075 32.554 32.500 -0.035 0.000 0.748 518 K HN 0.167 nan 8.250 nan 0.000 0.465 519 A N 0.358 123.147 122.820 -0.053 0.000 1.887 519 A HA -0.004 4.317 4.320 0.001 0.000 0.212 519 A C 1.822 179.470 177.584 0.107 0.000 1.198 519 A CA 0.469 52.481 52.037 -0.043 0.000 0.628 519 A CB -0.279 18.695 19.000 -0.043 0.000 0.847 519 A HN 0.184 nan 8.150 nan 0.000 0.449 520 L N 0.771 122.038 121.223 0.072 0.000 2.012 520 L HA -0.202 4.138 4.340 0.001 0.000 0.210 520 L C 1.983 178.918 176.870 0.109 0.000 1.073 520 L CA 2.028 56.914 54.840 0.077 0.000 0.748 520 L CB -0.843 41.242 42.059 0.043 0.000 0.891 520 L HN 0.362 nan 8.230 nan 0.000 0.431 521 D N -1.488 118.976 120.400 0.105 0.000 2.133 521 D HA -0.281 4.360 4.640 0.001 0.000 0.195 521 D C 1.961 178.359 176.300 0.163 0.000 0.997 521 D CA 1.399 55.466 54.000 0.113 0.000 0.840 521 D CB -0.286 40.569 40.800 0.091 0.000 0.947 521 D HN 0.497 nan 8.370 nan 0.000 0.452 522 W N 1.874 123.179 121.300 0.007 0.000 2.338 522 W HA -0.228 4.433 4.660 0.001 0.000 0.304 522 W C 2.163 178.722 176.519 0.066 0.000 1.212 522 W CA 1.228 58.584 57.345 0.019 0.000 1.264 522 W CB -0.342 29.052 29.460 -0.110 0.000 1.142 522 W HN -0.242 nan 8.180 nan 0.000 0.512 523 V N 0.940 120.920 119.914 0.109 0.000 2.295 523 V HA -0.319 3.802 4.120 0.001 0.000 0.246 523 V C 2.072 178.242 176.094 0.126 0.000 1.049 523 V CA 2.447 64.696 62.300 -0.084 0.000 1.024 523 V CB -1.032 30.720 31.823 -0.118 0.000 0.648 523 V HN 0.207 nan 8.190 nan 0.000 0.447 524 E N -0.191 120.116 120.200 0.178 0.000 2.268 524 E HA -0.216 4.135 4.350 0.001 0.000 0.195 524 E C 2.125 178.811 176.600 0.145 0.000 0.995 524 E CA 0.811 57.359 56.400 0.248 0.000 0.836 524 E CB -0.143 29.652 29.700 0.159 0.000 0.763 524 E HN 0.683 nan 8.360 nan 0.000 0.491 525 Q N -0.266 119.584 119.800 0.085 0.000 2.472 525 Q HA -0.060 4.281 4.340 0.001 0.000 0.208 525 Q C 0.516 176.415 176.000 -0.169 0.000 0.958 525 Q CA 0.654 56.441 55.803 -0.025 0.000 0.932 525 Q CB 0.213 28.931 28.738 -0.033 0.000 1.007 525 Q HN 0.385 nan 8.270 nan 0.000 0.508 526 H N -1.066 117.901 119.070 -0.171 0.000 2.923 526 H HA 0.144 4.701 4.556 0.001 0.000 0.268 526 H C -0.386 174.915 175.328 -0.045 0.000 1.148 526 H CA -0.259 55.691 56.048 -0.163 0.000 1.146 526 H CB 0.460 30.000 29.762 -0.370 0.000 1.607 526 H HN 0.076 nan 8.280 nan 0.000 0.566 527 Q N 2.243 122.042 119.800 -0.002 0.000 2.286 527 Q HA 0.020 4.360 4.340 0.001 0.000 0.265 527 Q C -0.296 175.440 176.000 -0.441 0.000 1.080 527 Q CA -0.423 55.013 55.803 -0.611 0.000 0.906 527 Q CB 0.342 28.697 28.738 -0.637 0.000 1.227 527 Q HN 0.356 nan 8.270 nan 0.000 0.409 528 N N 4.797 123.238 118.700 -0.431 0.000 2.307 528 N HA -0.055 4.685 4.740 0.001 0.000 0.230 528 N C -1.851 173.520 175.510 -0.232 0.000 1.297 528 N CA -0.712 52.185 53.050 -0.254 0.000 0.884 528 N CB 0.172 38.542 38.487 -0.194 0.000 1.115 528 N HN 0.503 nan 8.380 nan 0.000 0.436 529 P HA -0.144 nan 4.420 nan 0.000 0.215 529 P C 0.286 177.536 177.300 -0.084 0.000 1.153 529 P CA 1.395 64.433 63.100 -0.103 0.000 0.853 529 P CB -0.011 31.649 31.700 -0.066 0.000 0.788 530 D N -1.895 118.477 120.400 -0.047 0.000 2.390 530 D HA 0.037 4.678 4.640 0.001 0.000 0.235 530 D C 1.442 177.779 176.300 0.061 0.000 1.040 530 D CA 0.893 54.916 54.000 0.038 0.000 0.923 530 D CB -1.120 39.767 40.800 0.144 0.000 0.886 530 D HN 0.251 nan 8.370 nan 0.000 0.532 531 G N -1.231 107.496 108.800 -0.122 0.000 2.234 531 G HA2 -0.213 3.748 3.960 0.001 0.000 0.260 531 G HA3 -0.213 3.748 3.960 0.001 0.000 0.260 531 G C 0.625 175.238 174.900 -0.477 0.000 0.987 531 G CA 0.117 45.078 45.100 -0.232 0.000 0.625 531 G HN 0.863 nan 8.290 nan 0.000 0.532 532 G N -1.650 106.854 108.800 -0.494 0.000 2.511 532 G HA2 0.520 4.481 3.960 0.001 0.000 0.316 532 G HA3 0.520 4.481 3.960 0.001 0.000 0.316 532 G C -0.363 174.078 174.900 -0.765 0.000 1.210 532 G CA -0.669 43.869 45.100 -0.937 0.000 0.969 532 G HN 0.226 nan 8.290 nan 0.000 0.492 533 W N -0.550 120.500 121.300 -0.416 0.000 2.606 533 W HA 0.633 5.294 4.660 0.001 0.000 0.332 533 W C 0.107 176.501 176.519 -0.208 0.000 1.052 533 W CA -0.634 56.569 57.345 -0.237 0.000 1.223 533 W CB 2.261 31.619 29.460 -0.170 0.000 1.383 533 W HN 0.782 nan 8.180 nan 0.000 0.524 534 G N 1.498 110.356 108.800 0.097 0.000 2.746 534 G HA2 0.479 4.439 3.960 0.001 0.000 0.297 534 G HA3 0.479 4.439 3.960 0.001 0.000 0.297 534 G C -1.967 172.975 174.900 0.070 0.000 1.426 534 G CA -0.591 44.530 45.100 0.035 0.000 0.989 534 G HN 0.341 nan 8.290 nan 0.000 0.520 535 E N 1.515 121.746 120.200 0.052 0.000 2.343 535 E HA 0.279 4.630 4.350 0.001 0.000 0.260 535 E C -1.313 175.269 176.600 -0.029 0.000 0.908 535 E CA -0.629 55.812 56.400 0.068 0.000 0.814 535 E CB 1.751 31.536 29.700 0.142 0.000 1.302 535 E HN 0.442 nan 8.360 nan 0.000 0.408 536 D N 2.135 122.478 120.400 -0.095 0.000 2.368 536 D HA 0.009 4.650 4.640 0.001 0.000 0.240 536 D C 0.645 176.797 176.300 -0.248 0.000 1.169 536 D CA -0.185 53.687 54.000 -0.213 0.000 0.906 536 D CB 0.911 41.511 40.800 -0.334 0.000 1.187 536 D HN 0.500 nan 8.370 nan 0.000 0.435 537 C N 1.704 120.761 119.300 -0.404 0.000 2.449 537 C HA 0.001 4.462 4.460 0.001 0.000 0.283 537 C C 2.217 176.980 174.990 -0.379 0.000 1.453 537 C CA 0.113 58.742 59.018 -0.648 0.000 1.779 537 C CB -1.122 25.580 27.740 -1.730 0.000 1.779 537 C HN 0.605 nan 8.230 nan 0.000 0.546 538 R N 1.613 121.952 120.500 -0.268 0.000 2.293 538 R HA -0.098 4.242 4.340 0.001 0.000 0.219 538 R C 2.184 178.539 176.300 0.092 0.000 1.091 538 R CA 1.403 57.462 56.100 -0.069 0.000 1.004 538 R CB -0.293 29.808 30.300 -0.332 0.000 0.865 538 R HN 0.737 nan 8.270 nan 0.000 0.469 539 S N -0.426 115.282 115.700 0.013 0.000 2.500 539 S HA -0.158 4.313 4.470 0.001 0.000 0.239 539 S C 1.343 175.959 174.600 0.027 0.000 0.989 539 S CA 0.821 59.069 58.200 0.079 0.000 0.951 539 S CB -0.262 62.922 63.200 -0.026 0.000 0.759 539 S HN 0.349 nan 8.310 nan 0.000 0.523 540 Y N 1.464 121.861 120.300 0.162 0.000 2.448 540 Y HA 0.257 4.808 4.550 0.001 0.000 0.289 540 Y C 2.632 178.646 175.900 0.191 0.000 1.114 540 Y CA 0.618 58.839 58.100 0.201 0.000 1.235 540 Y CB 0.023 38.621 38.460 0.231 0.000 1.045 540 Y HN 0.247 nan 8.280 nan 0.000 0.554 541 E N -0.142 120.256 120.200 0.330 0.000 2.065 541 E HA -0.027 4.324 4.350 0.001 0.000 0.191 541 E C -0.097 176.642 176.600 0.231 0.000 0.960 541 E CA 0.649 57.206 56.400 0.262 0.000 0.824 541 E CB -0.204 29.651 29.700 0.260 0.000 0.793 541 E HN 0.220 nan 8.360 nan 0.000 0.459 542 D N 1.431 121.992 120.400 0.269 0.000 2.303 542 D HA 0.103 4.744 4.640 0.001 0.000 0.236 542 D C -1.807 174.644 176.300 0.251 0.000 1.068 542 D CA -2.255 51.895 54.000 0.250 0.000 0.830 542 D CB 1.816 42.798 40.800 0.303 0.000 1.109 542 D HN -0.205 nan 8.370 nan 0.000 0.496 543 P HA -0.068 nan 4.420 nan 0.000 0.230 543 P C 0.799 178.176 177.300 0.129 0.000 1.158 543 P CA 0.386 63.588 63.100 0.171 0.000 0.769 543 P CB 0.223 31.990 31.700 0.111 0.000 0.807 544 A N -1.381 121.472 122.820 0.054 0.000 2.209 544 A HA -0.102 4.219 4.320 0.001 0.000 0.212 544 A C 1.365 178.881 177.584 -0.113 0.000 1.158 544 A CA 0.725 52.722 52.037 -0.067 0.000 0.742 544 A CB -1.261 17.630 19.000 -0.181 0.000 0.790 544 A HN 0.122 nan 8.150 nan 0.000 0.472 545 Y N -0.674 119.693 120.300 0.111 0.000 2.458 545 Y HA 0.433 4.983 4.550 0.001 0.000 0.256 545 Y C 1.470 177.471 175.900 0.169 0.000 1.159 545 Y CA -0.516 57.650 58.100 0.109 0.000 1.261 545 Y CB -0.125 38.385 38.460 0.084 0.000 1.119 545 Y HN 0.262 nan 8.280 nan 0.000 0.524 546 A N 0.564 123.594 122.820 0.349 0.000 2.507 546 A HA 0.395 4.716 4.320 0.001 0.000 0.281 546 A C 1.589 179.435 177.584 0.437 0.000 1.154 546 A CA 1.030 53.325 52.037 0.431 0.000 0.828 546 A CB -1.258 17.880 19.000 0.230 0.000 1.069 546 A HN 0.876 nan 8.150 nan 0.000 0.522 547 G N 2.060 111.098 108.800 0.397 0.000 2.175 547 G HA2 -0.211 3.750 3.960 0.001 0.000 0.244 547 G HA3 -0.211 3.750 3.960 0.001 0.000 0.244 547 G C 0.156 175.221 174.900 0.275 0.000 0.982 547 G CA 0.562 45.803 45.100 0.234 0.000 0.641 547 G HN 0.783 nan 8.290 nan 0.000 0.527 548 K N 0.062 120.620 120.400 0.263 0.000 2.203 548 K HA 0.695 5.015 4.320 0.001 0.000 0.251 548 K C 0.346 177.052 176.600 0.176 0.000 0.944 548 K CA -0.045 56.362 56.287 0.200 0.000 0.829 548 K CB 2.102 34.724 32.500 0.203 0.000 1.125 548 K HN 1.210 nan 8.250 nan 0.000 0.430 549 G N 0.204 109.056 108.800 0.087 0.000 2.333 549 G HA2 0.279 4.239 3.960 0.001 0.000 0.330 549 G HA3 0.279 4.239 3.960 0.001 0.000 0.330 549 G C -1.377 173.474 174.900 -0.082 0.000 1.465 549 G CA -0.672 44.414 45.100 -0.023 0.000 0.996 549 G HN 0.660 nan 8.290 nan 0.000 0.655 550 A N 0.711 123.415 122.820 -0.192 0.000 2.565 550 A HA 0.550 4.871 4.320 0.001 0.000 0.237 550 A C 1.175 178.722 177.584 -0.063 0.000 1.053 550 A CA 1.123 53.083 52.037 -0.129 0.000 0.755 550 A CB -0.114 18.766 19.000 -0.201 0.000 0.980 550 A HN 1.855 nan 8.150 nan 0.000 0.506 551 S N 1.040 116.741 115.700 0.002 0.000 2.560 551 S HA 0.448 4.919 4.470 0.001 0.000 0.284 551 S C 0.664 175.294 174.600 0.050 0.000 1.327 551 S CA 0.464 58.629 58.200 -0.058 0.000 1.055 551 S CB 0.396 63.471 63.200 -0.209 0.000 0.868 551 S HN 1.116 nan 8.310 nan 0.000 0.506 552 T N 0.190 114.718 114.554 -0.044 0.000 2.909 552 T HA 0.463 4.814 4.350 0.001 0.000 0.299 552 T C -2.669 171.958 174.700 -0.121 0.000 1.073 552 T CA -2.114 59.998 62.100 0.021 0.000 0.999 552 T CB 1.753 70.645 68.868 0.040 0.000 1.098 552 T HN 0.094 nan 8.240 nan 0.000 0.477 553 P HA -0.225 nan 4.420 nan 0.000 0.216 553 P C 1.925 178.973 177.300 -0.419 0.000 1.157 553 P CA 2.004 64.932 63.100 -0.288 0.000 0.880 553 P CB 0.014 31.511 31.700 -0.338 0.000 0.791 554 S N -0.705 114.734 115.700 -0.436 0.000 2.335 554 S HA -0.224 4.247 4.470 0.001 0.000 0.216 554 S C 2.059 175.892 174.600 -1.279 0.000 1.032 554 S CA 1.004 58.715 58.200 -0.814 0.000 1.000 554 S CB -1.576 61.174 63.200 -0.751 0.000 0.928 554 S HN 0.169 nan 8.310 nan 0.000 0.434 555 Q N 0.738 119.961 119.800 -0.962 0.000 2.152 555 Q HA -0.111 4.229 4.340 0.001 0.000 0.206 555 Q C 2.375 178.243 176.000 -0.220 0.000 0.985 555 Q CA 1.935 57.449 55.803 -0.481 0.000 0.863 555 Q CB -0.791 27.890 28.738 -0.095 0.000 0.904 555 Q HN 0.653 nan 8.270 nan 0.000 0.422 556 T N 0.664 115.083 114.554 -0.225 0.000 2.788 556 T HA -0.126 4.225 4.350 0.001 0.000 0.268 556 T C 1.888 176.535 174.700 -0.087 0.000 1.044 556 T CA 1.155 63.233 62.100 -0.037 0.000 1.139 556 T CB -0.222 68.501 68.868 -0.241 0.000 0.867 556 T HN 0.416 nan 8.240 nan 0.000 0.454 557 A N 0.977 123.632 122.820 -0.276 0.000 1.898 557 A HA -0.059 4.261 4.320 0.001 0.000 0.216 557 A C 2.125 179.642 177.584 -0.112 0.000 1.181 557 A CA 1.045 52.950 52.037 -0.220 0.000 0.620 557 A CB -0.823 18.012 19.000 -0.274 0.000 0.819 557 A HN 0.536 nan 8.150 nan 0.000 0.442 558 W N -0.364 120.807 121.300 -0.215 0.000 2.353 558 W HA -0.086 4.575 4.660 0.001 0.000 0.319 558 W C 2.829 179.187 176.519 -0.268 0.000 1.207 558 W CA 0.952 58.154 57.345 -0.238 0.000 1.291 558 W CB -1.473 27.854 29.460 -0.222 0.000 1.159 558 W HN 0.418 nan 8.180 nan 0.000 0.478 559 A N -0.097 122.642 122.820 -0.135 0.000 2.076 559 A HA -0.138 4.183 4.320 0.001 0.000 0.220 559 A C 2.026 179.192 177.584 -0.697 0.000 1.160 559 A CA 1.604 53.295 52.037 -0.578 0.000 0.653 559 A CB -0.754 17.496 19.000 -1.250 0.000 0.801 559 A HN 0.238 nan 8.150 nan 0.000 0.455 560 L N -1.012 119.962 121.223 -0.415 0.000 2.131 560 L HA 0.030 4.371 4.340 0.001 0.000 0.206 560 L C 2.414 179.216 176.870 -0.113 0.000 1.087 560 L CA 1.681 56.383 54.840 -0.230 0.000 0.767 560 L CB -0.423 41.594 42.059 -0.071 0.000 0.917 560 L HN 0.414 nan 8.230 nan 0.000 0.441 561 M N -1.204 118.359 119.600 -0.063 0.000 2.175 561 M HA -0.115 4.366 4.480 0.001 0.000 0.264 561 M C 2.258 178.542 176.300 -0.026 0.000 1.063 561 M CA 1.447 56.744 55.300 -0.005 0.000 1.119 561 M CB -0.549 32.077 32.600 0.044 0.000 1.377 561 M HN 0.383 nan 8.290 nan 0.000 0.415 562 A N 0.708 123.487 122.820 -0.068 0.000 1.940 562 A HA -0.121 4.199 4.320 0.001 0.000 0.219 562 A C 2.093 179.652 177.584 -0.041 0.000 1.176 562 A CA 1.413 53.417 52.037 -0.055 0.000 0.631 562 A CB -0.780 18.179 19.000 -0.067 0.000 0.814 562 A HN 0.464 nan 8.150 nan 0.000 0.446 563 L N -0.888 120.296 121.223 -0.065 0.000 2.068 563 L HA -0.041 4.300 4.340 0.001 0.000 0.204 563 L C 2.408 179.294 176.870 0.026 0.000 1.076 563 L CA 0.875 55.706 54.840 -0.015 0.000 0.753 563 L CB -0.503 41.549 42.059 -0.011 0.000 0.910 563 L HN 0.319 nan 8.230 nan 0.000 0.439 564 I N 0.367 120.959 120.570 0.037 0.000 2.264 564 I HA -0.284 3.886 4.170 0.001 0.000 0.248 564 I C 2.739 178.883 176.117 0.045 0.000 1.111 564 I CA 1.241 62.584 61.300 0.072 0.000 1.382 564 I CB -0.446 37.610 38.000 0.094 0.000 1.060 564 I HN 0.214 nan 8.210 nan 0.000 0.418 565 A N 0.747 123.582 122.820 0.024 0.000 1.930 565 A HA 0.011 4.332 4.320 0.001 0.000 0.215 565 A C 2.365 179.954 177.584 0.009 0.000 1.176 565 A CA 1.384 53.429 52.037 0.013 0.000 0.632 565 A CB -1.121 17.877 19.000 -0.003 0.000 0.819 565 A HN 0.435 nan 8.150 nan 0.000 0.445 566 G N -1.747 107.058 108.800 0.008 0.000 2.679 566 G HA2 0.302 4.263 3.960 0.001 0.000 0.212 566 G HA3 0.302 4.263 3.960 0.001 0.000 0.212 566 G C 1.210 176.120 174.900 0.016 0.000 1.137 566 G CA 0.748 45.852 45.100 0.006 0.000 0.787 566 G HN 1.657 nan 8.290 nan 0.000 0.534 567 G N -0.137 108.679 108.800 0.027 0.000 2.194 567 G HA2 -0.261 3.700 3.960 0.001 0.000 0.236 567 G HA3 -0.261 3.700 3.960 0.001 0.000 0.236 567 G C 1.034 175.962 174.900 0.047 0.000 0.987 567 G CA 0.249 45.370 45.100 0.034 0.000 0.635 567 G HN 0.533 nan 8.290 nan 0.000 0.520 568 R N 0.581 121.113 120.500 0.053 0.000 2.423 568 R HA 0.515 4.855 4.340 0.001 0.000 0.248 568 R C 2.461 178.821 176.300 0.101 0.000 1.019 568 R CA 0.560 56.702 56.100 0.070 0.000 1.119 568 R CB -0.033 30.307 30.300 0.066 0.000 1.176 568 R HN 0.438 nan 8.270 nan 0.000 0.526 569 A N 1.425 124.311 122.820 0.111 0.000 1.978 569 A HA -0.189 4.131 4.320 0.001 0.000 0.220 569 A C 1.426 179.154 177.584 0.241 0.000 1.170 569 A CA 1.089 53.238 52.037 0.186 0.000 0.636 569 A CB -0.077 19.018 19.000 0.158 0.000 0.810 569 A HN 0.359 nan 8.150 nan 0.000 0.448 570 E N 0.259 120.550 120.200 0.151 0.000 2.464 570 E HA 0.360 4.710 4.350 0.001 0.000 0.260 570 E C -0.280 176.393 176.600 0.121 0.000 1.318 570 E CA -0.207 56.279 56.400 0.143 0.000 1.571 570 E CB -0.112 29.639 29.700 0.085 0.000 1.525 570 E HN 0.389 nan 8.360 nan 0.000 0.449 571 S N 0.403 116.184 115.700 0.136 0.000 2.745 571 S HA 0.205 4.675 4.470 0.001 0.000 0.306 571 S C 0.757 175.419 174.600 0.103 0.000 1.137 571 S CA -0.555 57.708 58.200 0.105 0.000 0.900 571 S CB 1.634 64.893 63.200 0.100 0.000 1.176 571 S HN 0.376 nan 8.310 nan 0.000 0.520 572 E N 1.448 121.696 120.200 0.080 0.000 2.006 572 E HA 0.097 4.447 4.350 0.001 0.000 0.192 572 E C 1.990 178.626 176.600 0.059 0.000 0.993 572 E CA 2.163 58.599 56.400 0.061 0.000 0.808 572 E CB -0.874 28.850 29.700 0.040 0.000 0.764 572 E HN 0.661 nan 8.360 nan 0.000 0.449 573 A N 0.788 123.653 122.820 0.075 0.000 2.032 573 A HA -0.120 4.201 4.320 0.001 0.000 0.221 573 A C 2.328 180.018 177.584 0.176 0.000 1.165 573 A CA 2.217 54.312 52.037 0.097 0.000 0.645 573 A CB -0.983 18.134 19.000 0.194 0.000 0.807 573 A HN 0.397 nan 8.150 nan 0.000 0.453 574 A N -0.187 122.731 122.820 0.163 0.000 1.832 574 A HA -0.125 4.196 4.320 0.001 0.000 0.214 574 A C 2.225 179.820 177.584 0.018 0.000 1.200 574 A CA 1.621 53.741 52.037 0.138 0.000 0.610 574 A CB -0.551 18.538 19.000 0.149 0.000 0.842 574 A HN 0.516 nan 8.150 nan 0.000 0.444 575 R N -0.930 119.599 120.500 0.048 0.000 2.152 575 R HA -0.118 4.223 4.340 0.001 0.000 0.232 575 R C 2.270 178.568 176.300 -0.004 0.000 1.117 575 R CA 0.959 57.076 56.100 0.027 0.000 0.981 575 R CB -0.149 30.230 30.300 0.131 0.000 0.870 575 R HN 0.341 nan 8.270 nan 0.000 0.451 576 R N -0.346 120.149 120.500 -0.008 0.000 2.070 576 R HA -0.068 4.273 4.340 0.001 0.000 0.233 576 R C 2.265 178.520 176.300 -0.074 0.000 1.137 576 R CA 1.664 57.734 56.100 -0.051 0.000 0.945 576 R CB -1.118 29.117 30.300 -0.109 0.000 0.845 576 R HN 0.415 nan 8.270 nan 0.000 0.430 577 G N 0.546 109.287 108.800 -0.098 0.000 2.418 577 G HA2 -0.199 3.761 3.960 0.001 0.000 0.217 577 G HA3 -0.199 3.761 3.960 0.001 0.000 0.217 577 G C 1.600 176.508 174.900 0.014 0.000 1.158 577 G CA 0.927 45.994 45.100 -0.055 0.000 0.771 577 G HN 0.177 nan 8.290 nan 0.000 0.545 578 V N 0.641 120.507 119.914 -0.079 0.000 2.332 578 V HA -0.263 3.858 4.120 0.001 0.000 0.248 578 V C 2.772 178.892 176.094 0.043 0.000 1.055 578 V CA 2.305 64.530 62.300 -0.124 0.000 1.038 578 V CB -0.560 31.023 31.823 -0.398 0.000 0.651 578 V HN 0.427 nan 8.190 nan 0.000 0.450 579 Q N -0.450 119.384 119.800 0.056 0.000 2.096 579 Q HA -0.252 4.088 4.340 0.001 0.000 0.204 579 Q C 2.047 178.117 176.000 0.117 0.000 0.982 579 Q CA 2.179 58.035 55.803 0.089 0.000 0.850 579 Q CB -0.671 28.102 28.738 0.058 0.000 0.901 579 Q HN 0.729 nan 8.270 nan 0.000 0.422 580 Y N 0.220 120.514 120.300 -0.010 0.000 2.097 580 Y HA -0.237 4.314 4.550 0.001 0.000 0.282 580 Y C 1.712 177.656 175.900 0.074 0.000 1.152 580 Y CA 2.071 60.171 58.100 0.000 0.000 1.136 580 Y CB -0.395 38.029 38.460 -0.060 0.000 0.975 580 Y HN 0.165 nan 8.280 nan 0.000 0.498 581 L N -1.065 120.387 121.223 0.381 0.000 2.079 581 L HA -0.247 4.094 4.340 0.001 0.000 0.210 581 L C 2.333 179.492 176.870 0.480 0.000 1.081 581 L CA 1.288 56.333 54.840 0.341 0.000 0.752 581 L CB -0.907 41.214 42.059 0.104 0.000 0.896 581 L HN 0.153 nan 8.230 nan 0.000 0.433 582 V N -0.257 119.835 119.914 0.297 0.000 2.358 582 V HA -0.228 3.893 4.120 0.001 0.000 0.246 582 V C 2.329 178.501 176.094 0.131 0.000 1.047 582 V CA 1.726 64.168 62.300 0.237 0.000 1.035 582 V CB -0.433 31.500 31.823 0.184 0.000 0.658 582 V HN 0.465 nan 8.190 nan 0.000 0.452 583 E N 0.607 120.848 120.200 0.069 0.000 2.021 583 E HA -0.146 4.204 4.350 0.001 0.000 0.189 583 E C 2.284 178.855 176.600 -0.049 0.000 0.980 583 E CA 1.612 58.000 56.400 -0.019 0.000 0.803 583 E CB -0.467 29.191 29.700 -0.068 0.000 0.766 583 E HN 0.735 nan 8.360 nan 0.000 0.449 584 T N -0.358 114.142 114.554 -0.090 0.000 2.996 584 T HA -0.215 4.136 4.350 0.001 0.000 0.271 584 T C 1.036 175.778 174.700 0.070 0.000 1.126 584 T CA 0.433 62.494 62.100 -0.064 0.000 1.103 584 T CB -0.205 68.533 68.868 -0.217 0.000 0.870 584 T HN 0.050 nan 8.240 nan 0.000 0.528 585 Q N 1.241 121.062 119.800 0.036 0.000 2.395 585 Q HA 0.116 4.457 4.340 0.001 0.000 0.271 585 Q C -0.110 175.640 176.000 -0.417 0.000 1.026 585 Q CA -0.279 55.201 55.803 -0.538 0.000 0.900 585 Q CB 0.545 28.959 28.738 -0.540 0.000 1.266 585 Q HN 0.491 nan 8.270 nan 0.000 0.430 586 R N 3.401 123.580 120.500 -0.536 0.000 2.543 586 R HA 0.174 4.514 4.340 0.001 0.000 0.268 586 R C -1.728 174.382 176.300 -0.317 0.000 1.067 586 R CA -1.742 54.156 56.100 -0.337 0.000 1.142 586 R CB 0.111 30.227 30.300 -0.307 0.000 1.110 586 R HN 0.565 nan 8.270 nan 0.000 0.549 587 P HA -0.208 nan 4.420 nan 0.000 0.215 587 P C 0.463 177.648 177.300 -0.192 0.000 1.153 587 P CA 1.386 64.384 63.100 -0.171 0.000 0.853 587 P CB 0.072 31.701 31.700 -0.118 0.000 0.788 588 D N -1.668 118.594 120.400 -0.229 0.000 2.371 588 D HA -0.035 4.605 4.640 0.001 0.000 0.221 588 D C 1.383 177.468 176.300 -0.357 0.000 0.986 588 D CA 1.188 55.049 54.000 -0.232 0.000 0.899 588 D CB -0.768 39.902 40.800 -0.217 0.000 0.902 588 D HN 0.285 nan 8.370 nan 0.000 0.530 589 G N -0.293 108.229 108.800 -0.462 0.000 2.175 589 G HA2 -0.174 3.786 3.960 0.001 0.000 0.244 589 G HA3 -0.174 3.786 3.960 0.001 0.000 0.244 589 G C 0.617 175.009 174.900 -0.846 0.000 0.982 589 G CA 0.204 44.979 45.100 -0.541 0.000 0.641 589 G HN 0.787 nan 8.290 nan 0.000 0.527 590 G N -1.666 106.519 108.800 -1.024 0.000 2.531 590 G HA2 0.547 4.507 3.960 0.001 0.000 0.253 590 G HA3 0.547 4.507 3.960 0.001 0.000 0.253 590 G C -0.433 174.178 174.900 -0.481 0.000 1.439 590 G CA -0.385 44.203 45.100 -0.854 0.000 1.056 590 G HN 0.415 nan 8.290 nan 0.000 0.555 591 W N -0.888 120.506 121.300 0.156 0.000 3.479 591 W HA 0.308 4.969 4.660 0.001 0.000 0.304 591 W C -1.350 175.178 176.519 0.016 0.000 1.243 591 W CA -0.630 56.745 57.345 0.050 0.000 1.202 591 W CB 1.873 31.354 29.460 0.034 0.000 1.346 591 W HN 0.415 nan 8.180 nan 0.000 0.539 592 D N 1.195 121.746 120.400 0.251 0.000 2.332 592 D HA 0.364 5.005 4.640 0.001 0.000 0.252 592 D C -0.690 175.677 176.300 0.111 0.000 1.050 592 D CA -0.160 53.920 54.000 0.133 0.000 0.970 592 D CB 2.266 43.114 40.800 0.080 0.000 1.141 592 D HN 0.350 nan 8.370 nan 0.000 0.485 593 E N 0.970 121.200 120.200 0.051 0.000 2.721 593 E HA 0.093 4.444 4.350 0.001 0.000 0.392 593 E C -2.338 174.236 176.600 -0.043 0.000 1.068 593 E CA -0.880 55.544 56.400 0.041 0.000 0.744 593 E CB 1.136 30.881 29.700 0.076 0.000 1.593 593 E HN 0.094 nan 8.360 nan 0.000 0.382 594 P HA 0.022 nan 4.420 nan 0.000 0.258 594 P C -0.819 176.120 177.300 -0.602 0.000 1.319 594 P CA 0.323 63.169 63.100 -0.423 0.000 0.785 594 P CB -0.316 31.058 31.700 -0.543 0.000 1.252 595 Y N -1.121 119.168 120.300 -0.018 0.000 2.499 595 Y HA 0.376 4.927 4.550 0.001 0.000 0.347 595 Y C 0.523 176.470 175.900 0.078 0.000 0.987 595 Y CA -1.585 56.491 58.100 -0.040 0.000 1.044 595 Y CB 0.703 39.164 38.460 0.002 0.000 1.245 595 Y HN -0.212 nan 8.280 nan 0.000 0.461 596 Y N 0.651 121.086 120.300 0.224 0.000 2.346 596 Y HA 0.258 4.809 4.550 0.001 0.000 0.330 596 Y C 1.332 177.302 175.900 0.118 0.000 1.178 596 Y CA -0.455 57.727 58.100 0.137 0.000 1.331 596 Y CB 0.918 39.437 38.460 0.098 0.000 1.253 596 Y HN 0.705 nan 8.280 nan 0.000 0.529 597 T N -2.183 112.566 114.554 0.326 0.000 3.016 597 T HA 0.356 4.706 4.350 0.001 0.000 0.271 597 T C 0.637 175.499 174.700 0.271 0.000 0.968 597 T CA 0.148 62.435 62.100 0.312 0.000 0.891 597 T CB -0.040 69.040 68.868 0.354 0.000 1.149 597 T HN 0.679 nan 8.240 nan 0.000 0.524 598 G N 0.608 109.526 108.800 0.198 0.000 2.412 598 G HA2 0.557 4.518 3.960 0.001 0.000 0.318 598 G HA3 0.557 4.518 3.960 0.001 0.000 0.318 598 G C -1.075 173.891 174.900 0.108 0.000 1.146 598 G CA -0.444 44.731 45.100 0.125 0.000 0.882 598 G HN 0.228 nan 8.290 nan 0.000 0.501 599 T N 0.182 114.764 114.554 0.047 0.000 2.881 599 T HA 0.538 4.889 4.350 0.001 0.000 0.290 599 T C 0.972 175.570 174.700 -0.169 0.000 1.000 599 T CA 0.185 62.262 62.100 -0.038 0.000 0.978 599 T CB 1.905 70.712 68.868 -0.102 0.000 0.997 599 T HN 0.644 nan 8.240 nan 0.000 0.443 600 G N 1.412 110.012 108.800 -0.333 0.000 2.662 600 G HA2 0.352 4.313 3.960 0.001 0.000 0.207 600 G HA3 0.352 4.313 3.960 0.001 0.000 0.207 600 G C -0.389 173.882 174.900 -1.050 0.000 1.154 600 G CA 0.127 44.906 45.100 -0.534 0.000 0.837 600 G HN 0.533 nan 8.290 nan 0.000 0.580 601 F N 0.642 120.299 119.950 -0.489 0.000 2.617 601 F HA 0.446 4.974 4.527 0.001 0.000 0.325 601 F C -2.570 172.799 175.800 -0.719 0.000 1.179 601 F CA -3.085 54.566 58.000 -0.582 0.000 0.965 601 F CB 2.227 40.904 39.000 -0.538 0.000 1.232 601 F HN -0.177 nan 8.300 nan 0.000 0.461 602 P HA 0.128 nan 4.420 nan 0.000 0.253 602 P C 0.753 177.848 177.300 -0.343 0.000 1.170 602 P CA 1.218 63.934 63.100 -0.640 0.000 0.806 602 P CB 0.091 31.714 31.700 -0.128 0.000 0.775 603 G N 2.932 111.533 108.800 -0.332 0.000 2.147 603 G HA2 -0.217 3.744 3.960 0.001 0.000 0.244 603 G HA3 -0.217 3.744 3.960 0.001 0.000 0.244 603 G C 0.405 175.228 174.900 -0.128 0.000 1.005 603 G CA 0.135 45.229 45.100 -0.010 0.000 0.713 603 G HN 0.470 nan 8.290 nan 0.000 0.515 604 D N -2.024 118.128 120.400 -0.413 0.000 2.464 604 D HA 0.178 4.819 4.640 0.001 0.000 0.272 604 D C -0.076 176.123 176.300 -0.167 0.000 1.224 604 D CA 0.198 54.008 54.000 -0.318 0.000 1.118 604 D CB 0.472 40.829 40.800 -0.739 0.000 1.710 604 D HN 0.224 nan 8.370 nan 0.000 0.479 605 F N 1.478 121.099 119.950 -0.549 0.000 2.539 605 F HA 0.459 4.987 4.527 0.001 0.000 0.318 605 F C -1.637 173.803 175.800 -0.599 0.000 1.135 605 F CA -0.807 56.995 58.000 -0.331 0.000 0.915 605 F CB 1.209 40.147 39.000 -0.104 0.000 1.176 605 F HN -0.271 nan 8.300 nan 0.000 0.440 606 Y N 5.703 125.688 120.300 -0.525 0.000 2.409 606 Y HA 0.683 5.233 4.550 0.001 0.000 0.343 606 Y C -0.667 174.787 175.900 -0.743 0.000 0.973 606 Y CA -1.077 56.757 58.100 -0.443 0.000 1.064 606 Y CB 1.733 40.119 38.460 -0.123 0.000 1.207 606 Y HN 0.404 nan 8.280 nan 0.000 0.452 607 L N 1.483 122.450 121.223 -0.427 0.000 2.313 607 L HA 0.905 5.246 4.340 0.001 0.000 0.268 607 L C 0.274 176.757 176.870 -0.645 0.000 1.010 607 L CA -1.143 53.330 54.840 -0.612 0.000 0.814 607 L CB 2.104 43.945 42.059 -0.363 0.000 1.304 607 L HN 0.844 nan 8.230 nan 0.000 0.441 608 G N 0.305 108.672 108.800 -0.722 0.000 2.990 608 G HA2 0.461 4.421 3.960 0.001 0.000 0.300 608 G HA3 0.461 4.421 3.960 0.001 0.000 0.300 608 G C -1.439 173.375 174.900 -0.145 0.000 1.498 608 G CA -0.213 44.719 45.100 -0.279 0.000 1.074 608 G HN 0.248 nan 8.290 nan 0.000 0.542 609 Y N 2.164 122.306 120.300 -0.264 0.000 2.531 609 Y HA 0.180 4.731 4.550 0.001 0.000 0.347 609 Y C 2.065 177.934 175.900 -0.051 0.000 1.024 609 Y CA -0.184 57.751 58.100 -0.275 0.000 1.306 609 Y CB 1.075 38.985 38.460 -0.916 0.000 1.149 609 Y HN 0.486 nan 8.280 nan 0.000 0.527 610 T N 2.502 117.138 114.554 0.136 0.000 2.684 610 T HA -0.180 4.170 4.350 0.001 0.000 0.267 610 T C 2.042 176.882 174.700 0.233 0.000 1.036 610 T CA 1.335 63.532 62.100 0.162 0.000 1.148 610 T CB -0.062 68.879 68.868 0.122 0.000 0.863 610 T HN 0.544 nan 8.240 nan 0.000 0.436 611 M N 0.143 119.931 119.600 0.313 0.000 2.279 611 M HA -0.024 4.457 4.480 0.001 0.000 0.264 611 M C 1.946 178.448 176.300 0.336 0.000 1.062 611 M CA 1.160 56.660 55.300 0.334 0.000 1.099 611 M CB -1.260 31.500 32.600 0.266 0.000 1.394 611 M HN 0.257 nan 8.290 nan 0.000 0.426 612 Y N 1.486 121.908 120.300 0.204 0.000 2.139 612 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 612 Y C 2.550 178.523 175.900 0.122 0.000 1.179 612 Y CA 1.869 60.136 58.100 0.279 0.000 1.161 612 Y CB -1.067 37.653 38.460 0.434 0.000 0.970 612 Y HN 0.415 nan 8.280 nan 0.000 0.511 613 R N -0.945 119.632 120.500 0.128 0.000 2.237 613 R HA -0.110 4.230 4.340 0.001 0.000 0.219 613 R C 1.101 177.348 176.300 -0.089 0.000 1.080 613 R CA 1.692 57.740 56.100 -0.087 0.000 0.995 613 R CB -0.500 29.690 30.300 -0.184 0.000 0.875 613 R HN 0.397 nan 8.270 nan 0.000 0.462 614 H N -0.136 119.092 119.070 0.263 0.000 2.426 614 H HA 0.168 4.725 4.556 0.001 0.000 0.286 614 H C 2.282 177.692 175.328 0.136 0.000 0.990 614 H CA 0.687 56.934 56.048 0.332 0.000 1.237 614 H CB -0.014 29.959 29.762 0.353 0.000 1.466 614 H HN -0.022 nan 8.280 nan 0.000 0.525 615 V N 1.572 121.526 119.914 0.065 0.000 2.216 615 V HA -0.232 3.889 4.120 0.001 0.000 0.242 615 V C 2.306 178.266 176.094 -0.223 0.000 1.042 615 V CA 1.939 64.113 62.300 -0.209 0.000 0.991 615 V CB -0.918 30.616 31.823 -0.483 0.000 0.633 615 V HN 0.082 nan 8.190 nan 0.000 0.449 616 F N 0.335 120.197 119.950 -0.147 0.000 2.063 616 F HA -0.140 4.387 4.527 0.001 0.000 0.298 616 F C 0.176 175.839 175.800 -0.228 0.000 1.109 616 F CA 2.226 60.113 58.000 -0.187 0.000 1.212 616 F CB -2.497 36.335 39.000 -0.279 0.000 0.973 616 F HN 0.260 nan 8.300 nan 0.000 0.480 617 P HA -0.144 nan 4.420 nan 0.000 0.216 617 P C 1.586 178.767 177.300 -0.198 0.000 1.150 617 P CA 2.296 65.138 63.100 -0.431 0.000 0.843 617 P CB -0.229 30.806 31.700 -1.109 0.000 0.787 618 T N -0.621 113.920 114.554 -0.021 0.000 2.812 618 T HA -0.080 4.270 4.350 0.001 0.000 0.264 618 T C 1.644 176.350 174.700 0.009 0.000 1.042 618 T CA 0.693 62.838 62.100 0.075 0.000 1.140 618 T CB -0.868 68.051 68.868 0.086 0.000 0.870 618 T HN 0.002 nan 8.240 nan 0.000 0.445 619 L N 1.637 122.842 121.223 -0.031 0.000 2.046 619 L HA 0.057 4.398 4.340 0.001 0.000 0.208 619 L C 2.570 179.453 176.870 0.022 0.000 1.077 619 L CA 1.826 56.652 54.840 -0.024 0.000 0.747 619 L CB -1.032 41.014 42.059 -0.021 0.000 0.896 619 L HN 0.219 nan 8.230 nan 0.000 0.432 620 A N -0.404 122.431 122.820 0.024 0.000 1.858 620 A HA -0.181 4.140 4.320 0.001 0.000 0.216 620 A C 2.238 179.835 177.584 0.022 0.000 1.190 620 A CA 2.069 54.115 52.037 0.016 0.000 0.617 620 A CB -0.995 17.982 19.000 -0.039 0.000 0.827 620 A HN 0.493 nan 8.150 nan 0.000 0.443 621 L N -0.631 120.599 121.223 0.013 0.000 2.131 621 L HA -0.114 4.227 4.340 0.001 0.000 0.210 621 L C 2.772 179.664 176.870 0.037 0.000 1.092 621 L CA 0.898 55.760 54.840 0.036 0.000 0.759 621 L CB -0.850 41.262 42.059 0.087 0.000 0.903 621 L HN 0.513 nan 8.230 nan 0.000 0.435 622 G N 0.032 108.853 108.800 0.035 0.000 2.418 622 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 622 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 622 G C 1.771 176.682 174.900 0.018 0.000 1.158 622 G CA 0.339 45.452 45.100 0.022 0.000 0.771 622 G HN 0.292 nan 8.290 nan 0.000 0.545 623 R N -1.285 119.236 120.500 0.036 0.000 2.193 623 R HA 0.035 4.375 4.340 0.001 0.000 0.213 623 R C 2.191 178.523 176.300 0.053 0.000 1.055 623 R CA 0.645 56.771 56.100 0.043 0.000 0.995 623 R CB -0.306 30.030 30.300 0.060 0.000 0.893 623 R HN 0.479 nan 8.270 nan 0.000 0.459 624 Y N 1.777 122.020 120.300 -0.096 0.000 2.314 624 Y HA -0.095 4.455 4.550 0.001 0.000 0.293 624 Y C 2.015 177.795 175.900 -0.200 0.000 1.129 624 Y CA 1.198 59.208 58.100 -0.150 0.000 1.201 624 Y CB 0.085 38.413 38.460 -0.220 0.000 0.999 624 Y HN -0.206 nan 8.280 nan 0.000 0.541 625 K N -0.448 119.811 120.400 -0.235 0.000 2.486 625 K HA -0.084 4.237 4.320 0.001 0.000 0.194 625 K C 1.519 178.063 176.600 -0.094 0.000 1.033 625 K CA 0.586 56.748 56.287 -0.209 0.000 1.004 625 K CB 0.196 32.676 32.500 -0.034 0.000 0.798 625 K HN 0.318 nan 8.250 nan 0.000 0.495 626 Q N -0.601 119.151 119.800 -0.080 0.000 2.259 626 Q HA 0.082 4.423 4.340 0.001 0.000 0.201 626 Q C 1.922 177.891 176.000 -0.051 0.000 0.938 626 Q CA 0.950 56.730 55.803 -0.037 0.000 0.872 626 Q CB 0.148 28.881 28.738 -0.007 0.000 0.971 626 Q HN 0.326 nan 8.270 nan 0.000 0.494 627 A N 0.235 123.002 122.820 -0.089 0.000 2.125 627 A HA -0.105 4.215 4.320 0.001 0.000 0.219 627 A C 1.674 179.205 177.584 -0.090 0.000 1.156 627 A CA 1.155 53.146 52.037 -0.077 0.000 0.671 627 A CB -0.120 18.832 19.000 -0.079 0.000 0.794 627 A HN 0.228 nan 8.150 nan 0.000 0.459 628 I N -2.224 118.274 120.570 -0.121 0.000 3.393 628 I HA 0.475 4.646 4.170 0.001 0.000 0.250 628 I C 1.071 177.173 176.117 -0.025 0.000 1.122 628 I CA 1.478 62.734 61.300 -0.074 0.000 1.484 628 I CB -0.024 37.923 38.000 -0.088 0.000 1.468 628 I HN 0.367 nan 8.210 nan 0.000 0.461 629 E N 0.000 120.193 120.200 -0.012 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440