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 1h3c_1_A 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 0.000 177.511 177.584 -0.121 0.000 1.274 10 A CA 0.000 51.913 52.037 -0.207 0.000 0.836 10 A CB 0.000 18.886 19.000 -0.190 0.000 0.831 11 Y N 0.360 120.725 120.300 0.109 0.000 2.373 11 Y HA 0.442 4.992 4.550 -0.000 0.000 0.293 11 Y C 2.398 178.364 175.900 0.110 0.000 1.129 11 Y CA 0.926 59.102 58.100 0.127 0.000 1.226 11 Y CB -1.455 37.119 38.460 0.189 0.000 1.000 11 Y HN 0.422 nan 8.280 nan 0.000 0.549 12 A N 1.662 124.644 122.820 0.271 0.000 1.927 12 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 12 A C 2.364 180.042 177.584 0.157 0.000 1.185 12 A CA 2.324 54.518 52.037 0.261 0.000 0.639 12 A CB -0.795 18.255 19.000 0.084 0.000 0.820 12 A HN 0.555 nan 8.150 nan 0.000 0.451 13 R N -1.358 119.195 120.500 0.089 0.000 2.092 13 R HA -0.067 4.272 4.340 -0.000 0.000 0.231 13 R C 2.337 178.678 176.300 0.068 0.000 1.119 13 R CA 1.693 57.827 56.100 0.056 0.000 0.970 13 R CB -0.619 29.692 30.300 0.019 0.000 0.864 13 R HN 0.586 nan 8.270 nan 0.000 0.440 14 T N 1.681 116.302 114.554 0.112 0.000 2.614 14 T HA -0.141 4.208 4.350 -0.000 0.000 0.263 14 T C 1.860 176.646 174.700 0.144 0.000 1.055 14 T CA 1.003 63.169 62.100 0.109 0.000 1.162 14 T CB -0.304 68.686 68.868 0.204 0.000 0.863 14 T HN 0.123 nan 8.240 nan 0.000 0.414 15 L N 0.758 122.109 121.223 0.213 0.000 1.997 15 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 15 L C 2.487 179.438 176.870 0.135 0.000 1.074 15 L CA 1.705 56.661 54.840 0.194 0.000 0.763 15 L CB -0.520 41.650 42.059 0.185 0.000 0.890 15 L HN 0.230 nan 8.230 nan 0.000 0.434 16 D N -0.610 119.858 120.400 0.114 0.000 2.116 16 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 16 D C 2.328 178.666 176.300 0.062 0.000 0.998 16 D CA 1.308 55.355 54.000 0.080 0.000 0.836 16 D CB -0.011 40.828 40.800 0.065 0.000 0.951 16 D HN 0.226 nan 8.370 nan 0.000 0.449 17 R N 0.038 120.564 120.500 0.042 0.000 2.066 17 R HA 0.025 4.364 4.340 -0.000 0.000 0.232 17 R C 2.295 178.621 176.300 0.043 0.000 1.131 17 R CA 1.141 57.246 56.100 0.008 0.000 0.955 17 R CB -0.307 29.953 30.300 -0.066 0.000 0.851 17 R HN 0.113 nan 8.270 nan 0.000 0.432 18 A N 0.812 123.674 122.820 0.070 0.000 1.908 18 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 18 A C 2.355 180.048 177.584 0.181 0.000 1.181 18 A CA 1.414 53.561 52.037 0.184 0.000 0.627 18 A CB -0.585 18.643 19.000 0.380 0.000 0.818 18 A HN 0.104 nan 8.150 nan 0.000 0.445 19 V N 1.206 121.191 119.914 0.118 0.000 2.220 19 V HA -0.362 3.758 4.120 -0.000 0.000 0.246 19 V C 2.627 178.755 176.094 0.056 0.000 1.049 19 V CA 2.558 64.896 62.300 0.063 0.000 1.003 19 V CB -1.201 30.651 31.823 0.049 0.000 0.634 19 V HN 0.925 nan 8.190 nan 0.000 0.444 20 E N -0.158 120.082 120.200 0.066 0.000 2.147 20 E HA -0.359 3.991 4.350 -0.000 0.000 0.199 20 E C 2.213 178.853 176.600 0.066 0.000 1.005 20 E CA 2.318 58.752 56.400 0.056 0.000 0.810 20 E CB -0.762 28.972 29.700 0.056 0.000 0.736 20 E HN 0.684 nan 8.360 nan 0.000 0.460 21 Y N 1.680 121.967 120.300 -0.022 0.000 2.181 21 Y HA -0.140 4.410 4.550 -0.000 0.000 0.288 21 Y C 2.036 177.920 175.900 -0.026 0.000 1.146 21 Y CA 1.502 59.575 58.100 -0.045 0.000 1.164 21 Y CB -0.229 38.184 38.460 -0.078 0.000 0.982 21 Y HN -0.004 nan 8.280 nan 0.000 0.515 22 L N -0.598 120.539 121.223 -0.143 0.000 2.017 22 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 22 L C 2.457 179.356 176.870 0.048 0.000 1.073 22 L CA 1.370 56.112 54.840 -0.162 0.000 0.745 22 L CB -0.728 41.246 42.059 -0.143 0.000 0.894 22 L HN 0.254 nan 8.230 nan 0.000 0.432 23 L N -0.293 120.960 121.223 0.050 0.000 2.263 23 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 23 L C 2.733 179.575 176.870 -0.047 0.000 1.111 23 L CA 1.456 56.341 54.840 0.075 0.000 0.773 23 L CB -0.635 41.429 42.059 0.008 0.000 0.906 23 L HN 0.436 nan 8.230 nan 0.000 0.439 24 S N -2.200 113.427 115.700 -0.120 0.000 2.425 24 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 24 S C 1.874 176.335 174.600 -0.231 0.000 1.024 24 S CA 0.495 58.595 58.200 -0.167 0.000 0.951 24 S CB -0.683 62.428 63.200 -0.147 0.000 0.796 24 S HN 0.412 nan 8.310 nan 0.000 0.498 25 C N 1.931 121.066 119.300 -0.275 0.000 2.491 25 C HA 0.212 4.671 4.460 -0.000 0.000 0.277 25 C C 1.384 176.210 174.990 -0.273 0.000 1.455 25 C CA -0.276 58.599 59.018 -0.238 0.000 1.758 25 C CB -1.770 25.819 27.740 -0.252 0.000 1.745 25 C HN 0.709 nan 8.230 nan 0.000 0.558 26 Q N 1.460 120.990 119.800 -0.450 0.000 2.332 26 Q HA 0.176 4.516 4.340 -0.000 0.000 0.263 26 Q C -0.073 175.452 176.000 -0.792 0.000 0.979 26 Q CA 0.207 55.327 55.803 -1.138 0.000 0.885 26 Q CB 0.634 28.553 28.738 -1.364 0.000 1.218 26 Q HN 0.292 nan 8.270 nan 0.000 0.405 27 K N 2.332 122.173 120.400 -0.932 0.000 2.136 27 K HA 0.038 4.358 4.320 -0.000 0.000 0.237 27 K C 0.270 176.494 176.600 -0.627 0.000 1.048 27 K CA 0.130 55.961 56.287 -0.760 0.000 0.880 27 K CB 0.403 32.237 32.500 -1.110 0.000 1.105 27 K HN 0.608 nan 8.250 nan 0.000 0.507 28 D N 0.619 120.761 120.400 -0.430 0.000 2.084 28 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 28 D C 1.186 177.329 176.300 -0.262 0.000 0.985 28 D CA 1.288 55.118 54.000 -0.283 0.000 0.826 28 D CB -0.019 40.678 40.800 -0.172 0.000 0.978 28 D HN 0.485 nan 8.370 nan 0.000 0.456 29 E N -0.333 119.726 120.200 -0.235 0.000 2.333 29 E HA 0.020 4.370 4.350 -0.000 0.000 0.200 29 E C 1.430 177.930 176.600 -0.168 0.000 1.010 29 E CA 1.217 57.576 56.400 -0.069 0.000 0.841 29 E CB -0.314 29.500 29.700 0.191 0.000 0.757 29 E HN 0.382 nan 8.360 nan 0.000 0.508 30 G N -0.954 107.577 108.800 -0.450 0.000 2.138 30 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.193 30 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.193 30 G C -0.251 174.239 174.900 -0.683 0.000 0.998 30 G CA -0.029 44.780 45.100 -0.485 0.000 0.668 30 G HN 0.319 nan 8.290 nan 0.000 0.516 31 Y N -1.928 117.815 120.300 -0.928 0.000 2.630 31 Y HA 0.891 5.441 4.550 -0.000 0.000 0.337 31 Y C -0.146 175.302 175.900 -0.753 0.000 1.051 31 Y CA -2.946 54.564 58.100 -0.982 0.000 1.121 31 Y CB 1.149 38.549 38.460 -1.767 0.000 1.299 31 Y HN 0.075 nan 8.280 nan 0.000 0.498 32 W N 1.230 122.449 121.300 -0.134 0.000 2.639 32 W HA 0.384 5.044 4.660 -0.000 0.000 0.347 32 W C -1.773 174.883 176.519 0.227 0.000 1.067 32 W CA -0.853 56.462 57.345 -0.049 0.000 1.218 32 W CB 2.109 31.510 29.460 -0.097 0.000 1.393 32 W HN 0.776 nan 8.180 nan 0.000 0.557 33 W N 2.384 123.790 121.300 0.178 0.000 3.028 33 W HA 0.452 5.112 4.660 -0.000 0.000 0.315 33 W C -1.065 175.489 176.519 0.059 0.000 1.062 33 W CA -1.304 56.107 57.345 0.110 0.000 1.226 33 W CB 0.413 29.995 29.460 0.203 0.000 1.100 33 W HN 0.376 nan 8.180 nan 0.000 0.364 34 G N 4.762 113.652 108.800 0.151 0.000 2.367 34 G HA2 0.641 4.601 3.960 -0.000 0.000 0.314 34 G HA3 0.641 4.601 3.960 -0.000 0.000 0.314 34 G C -2.773 172.010 174.900 -0.195 0.000 1.130 34 G CA -1.517 43.556 45.100 -0.044 0.000 0.864 34 G HN 0.121 nan 8.290 nan 0.000 0.486 35 P HA 0.084 nan 4.420 nan 0.000 0.266 35 P C -0.424 176.748 177.300 -0.213 0.000 1.195 35 P CA -0.312 62.597 63.100 -0.318 0.000 0.768 35 P CB 0.865 32.385 31.700 -0.300 0.000 0.838 36 L N 4.872 125.972 121.223 -0.204 0.000 2.265 36 L HA 0.286 4.626 4.340 -0.000 0.000 0.289 36 L C -0.948 175.786 176.870 -0.225 0.000 1.033 36 L CA -0.287 54.405 54.840 -0.247 0.000 0.814 36 L CB 0.082 42.033 42.059 -0.180 0.000 1.203 36 L HN 0.114 nan 8.230 nan 0.000 0.423 37 L N 4.212 125.263 121.223 -0.287 0.000 2.379 37 L HA 0.657 4.997 4.340 -0.000 0.000 0.269 37 L C 0.796 177.526 176.870 -0.234 0.000 1.084 37 L CA 0.154 54.878 54.840 -0.194 0.000 0.802 37 L CB 0.982 42.967 42.059 -0.123 0.000 1.175 37 L HN 0.915 nan 8.230 nan 0.000 0.448 38 S N 1.270 116.973 115.700 0.005 0.000 4.020 38 S HA 0.551 5.021 4.470 -0.000 0.000 0.201 38 S C -0.475 174.242 174.600 0.194 0.000 1.194 38 S CA -0.358 57.834 58.200 -0.014 0.000 1.383 38 S CB 1.320 64.466 63.200 -0.091 0.000 1.745 38 S HN 0.659 nan 8.310 nan 0.000 0.739 39 N N -0.274 118.522 118.700 0.160 0.000 2.647 39 N HA 0.466 5.206 4.740 -0.000 0.000 0.266 39 N C 0.517 176.156 175.510 0.214 0.000 1.373 39 N CA -0.404 52.774 53.050 0.213 0.000 0.807 39 N CB 1.257 39.868 38.487 0.207 0.000 1.513 39 N HN 0.876 nan 8.380 nan 0.000 0.505 40 V N -3.019 116.992 119.914 0.161 0.000 3.186 40 V HA -0.141 3.979 4.120 -0.000 0.000 0.270 40 V C 1.651 177.743 176.094 -0.004 0.000 1.149 40 V CA 1.839 64.199 62.300 0.100 0.000 1.160 40 V CB -2.049 29.675 31.823 -0.166 0.000 0.758 40 V HN 0.906 nan 8.190 nan 0.000 0.516 41 T N -2.981 111.574 114.554 0.001 0.000 2.962 41 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 41 T C 1.789 176.397 174.700 -0.153 0.000 1.088 41 T CA 1.515 63.554 62.100 -0.102 0.000 1.127 41 T CB -0.373 68.455 68.868 -0.067 0.000 0.883 41 T HN 0.370 nan 8.240 nan 0.000 0.493 42 M N 1.357 120.939 119.600 -0.031 0.000 2.077 42 M HA 0.022 4.501 4.480 -0.000 0.000 0.261 42 M C 2.267 178.535 176.300 -0.055 0.000 1.070 42 M CA 1.714 56.977 55.300 -0.062 0.000 1.125 42 M CB -1.119 31.557 32.600 0.128 0.000 1.339 42 M HN 0.281 nan 8.290 nan 0.000 0.409 43 E N 0.799 121.027 120.200 0.046 0.000 2.072 43 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 43 E C 2.137 178.781 176.600 0.073 0.000 0.985 43 E CA 1.513 57.983 56.400 0.116 0.000 0.801 43 E CB -0.558 29.252 29.700 0.184 0.000 0.750 43 E HN 0.500 nan 8.360 nan 0.000 0.452 44 A N 0.943 123.729 122.820 -0.057 0.000 1.908 44 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 44 A C 1.970 179.384 177.584 -0.283 0.000 1.181 44 A CA 1.749 53.691 52.037 -0.159 0.000 0.627 44 A CB -0.472 18.386 19.000 -0.236 0.000 0.818 44 A HN 0.212 nan 8.150 nan 0.000 0.445 45 E N -2.017 117.923 120.200 -0.433 0.000 2.208 45 E HA -0.136 4.213 4.350 -0.000 0.000 0.193 45 E C 1.731 178.133 176.600 -0.330 0.000 0.988 45 E CA 0.988 56.894 56.400 -0.822 0.000 0.828 45 E CB -0.237 28.792 29.700 -1.119 0.000 0.763 45 E HN 0.797 nan 8.360 nan 0.000 0.478 46 Y N 0.852 121.082 120.300 -0.116 0.000 2.181 46 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 46 Y C 2.012 177.855 175.900 -0.096 0.000 1.146 46 Y CA 1.150 59.244 58.100 -0.011 0.000 1.164 46 Y CB -0.218 38.238 38.460 -0.007 0.000 0.982 46 Y HN -0.176 nan 8.280 nan 0.000 0.515 47 V N 0.623 120.582 119.914 0.076 0.000 2.287 47 V HA -0.351 3.768 4.120 -0.000 0.000 0.248 47 V C 2.463 178.423 176.094 -0.223 0.000 1.053 47 V CA 2.197 64.475 62.300 -0.037 0.000 1.027 47 V CB -0.821 30.974 31.823 -0.046 0.000 0.646 47 V HN 0.458 nan 8.190 nan 0.000 0.447 48 L N -0.967 120.119 121.223 -0.227 0.000 2.056 48 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 48 L C 2.461 179.357 176.870 0.044 0.000 1.078 48 L CA 1.109 55.885 54.840 -0.106 0.000 0.749 48 L CB -0.612 41.452 42.059 0.008 0.000 0.901 48 L HN 0.343 nan 8.230 nan 0.000 0.433 49 L N -0.125 121.112 121.223 0.024 0.000 1.990 49 L HA -0.268 4.071 4.340 -0.000 0.000 0.213 49 L C 2.602 179.367 176.870 -0.173 0.000 1.072 49 L CA 1.912 56.743 54.840 -0.016 0.000 0.755 49 L CB -0.790 41.134 42.059 -0.224 0.000 0.889 49 L HN 0.260 nan 8.230 nan 0.000 0.432 50 C N -0.690 118.450 119.300 -0.265 0.000 2.413 50 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 50 C C 2.726 177.655 174.990 -0.101 0.000 1.248 50 C CA 1.127 60.041 59.018 -0.173 0.000 1.742 50 C CB -1.519 26.137 27.740 -0.141 0.000 2.017 50 C HN 0.827 nan 8.230 nan 0.000 0.481 51 H N 0.957 119.927 119.070 -0.166 0.000 2.353 51 H HA -0.076 4.479 4.556 -0.000 0.000 0.300 51 H C 1.952 177.212 175.328 -0.113 0.000 1.090 51 H CA 1.812 57.801 56.048 -0.098 0.000 1.327 51 H CB -0.278 29.350 29.762 -0.223 0.000 1.383 51 H HN 0.271 nan 8.280 nan 0.000 0.508 52 I N 0.622 120.950 120.570 -0.403 0.000 2.142 52 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 52 I C 2.175 177.892 176.117 -0.666 0.000 1.078 52 I CA 1.173 62.057 61.300 -0.694 0.000 1.343 52 I CB -1.154 36.527 38.000 -0.531 0.000 1.046 52 I HN 0.340 nan 8.210 nan 0.000 0.405 53 L N 0.455 121.430 121.223 -0.414 0.000 2.622 53 L HA -0.073 4.267 4.340 -0.000 0.000 0.233 53 L C 0.317 177.005 176.870 -0.304 0.000 1.156 53 L CA 0.273 54.912 54.840 -0.335 0.000 0.866 53 L CB -0.860 41.017 42.059 -0.305 0.000 0.980 53 L HN 0.316 nan 8.230 nan 0.000 0.448 54 D N 1.623 121.860 120.400 -0.272 0.000 2.689 54 D HA -0.233 4.407 4.640 -0.000 0.000 0.237 54 D C 0.174 176.391 176.300 -0.139 0.000 1.148 54 D CA 0.690 54.592 54.000 -0.163 0.000 0.656 54 D CB -0.310 40.406 40.800 -0.139 0.000 1.050 54 D HN 0.369 nan 8.370 nan 0.000 0.426 55 R N 0.074 120.489 120.500 -0.143 0.000 2.653 55 R HA 0.342 4.682 4.340 -0.000 0.000 0.269 55 R C -0.900 175.415 176.300 0.026 0.000 1.603 55 R CA -0.685 55.347 56.100 -0.113 0.000 1.671 55 R CB 1.324 31.418 30.300 -0.343 0.000 1.300 55 R HN -0.024 nan 8.270 nan 0.000 0.668 56 V N 1.234 121.184 119.914 0.061 0.000 2.407 56 V HA 0.145 4.265 4.120 -0.000 0.000 0.278 56 V C -0.087 176.062 176.094 0.092 0.000 1.037 56 V CA -0.527 61.839 62.300 0.109 0.000 0.900 56 V CB 1.721 33.648 31.823 0.173 0.000 0.983 56 V HN 0.380 nan 8.190 nan 0.000 0.459 57 D N 4.266 124.719 120.400 0.088 0.000 2.454 57 D HA 0.299 4.938 4.640 -0.000 0.000 0.225 57 D C 1.303 177.625 176.300 0.037 0.000 1.081 57 D CA -0.547 53.485 54.000 0.052 0.000 0.864 57 D CB 0.788 41.608 40.800 0.032 0.000 1.040 57 D HN 0.230 nan 8.370 nan 0.000 0.517 58 R N 2.457 122.981 120.500 0.039 0.000 2.140 58 R HA -0.198 4.142 4.340 -0.000 0.000 0.250 58 R C 1.291 177.602 176.300 0.019 0.000 1.150 58 R CA 1.287 57.407 56.100 0.033 0.000 0.966 58 R CB -0.462 29.853 30.300 0.026 0.000 0.869 58 R HN 0.660 nan 8.270 nan 0.000 0.445 59 D N 0.107 120.509 120.400 0.002 0.000 2.117 59 D HA -0.175 4.464 4.640 -0.000 0.000 0.197 59 D C 1.931 178.204 176.300 -0.045 0.000 0.987 59 D CA 1.036 55.028 54.000 -0.013 0.000 0.829 59 D CB 0.133 40.920 40.800 -0.020 0.000 0.961 59 D HN -0.005 nan 8.370 nan 0.000 0.460 60 R N 0.163 120.607 120.500 -0.093 0.000 2.066 60 R HA -0.068 4.271 4.340 -0.000 0.000 0.232 60 R C 2.392 178.630 176.300 -0.102 0.000 1.131 60 R CA 1.173 57.146 56.100 -0.213 0.000 0.955 60 R CB -0.707 29.404 30.300 -0.314 0.000 0.851 60 R HN 0.136 nan 8.270 nan 0.000 0.432 61 M N 0.986 120.583 119.600 -0.005 0.000 2.108 61 M HA -0.188 4.292 4.480 -0.000 0.000 0.257 61 M C 1.861 178.210 176.300 0.081 0.000 1.071 61 M CA 1.671 57.013 55.300 0.070 0.000 1.093 61 M CB -1.080 31.581 32.600 0.102 0.000 1.345 61 M HN 0.154 nan 8.290 nan 0.000 0.403 62 E N 0.671 120.906 120.200 0.060 0.000 2.038 62 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 62 E C 2.041 178.709 176.600 0.114 0.000 1.000 62 E CA 1.323 57.770 56.400 0.079 0.000 0.803 62 E CB -0.357 29.377 29.700 0.057 0.000 0.750 62 E HN 0.537 nan 8.360 nan 0.000 0.448 63 K N 0.273 120.730 120.400 0.095 0.000 2.103 63 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 63 K C 2.294 179.046 176.600 0.254 0.000 1.048 63 K CA 1.051 57.431 56.287 0.156 0.000 0.930 63 K CB -0.203 32.369 32.500 0.120 0.000 0.716 63 K HN 0.152 nan 8.250 nan 0.000 0.444 64 I N 0.335 121.043 120.570 0.230 0.000 2.439 64 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 64 I C 2.638 178.940 176.117 0.308 0.000 1.139 64 I CA 0.807 62.294 61.300 0.312 0.000 1.438 64 I CB -0.176 37.972 38.000 0.246 0.000 1.085 64 I HN 0.162 nan 8.210 nan 0.000 0.427 65 R N 1.299 121.934 120.500 0.225 0.000 2.062 65 R HA -0.123 4.216 4.340 -0.000 0.000 0.231 65 R C 2.538 178.976 176.300 0.230 0.000 1.136 65 R CA 1.317 57.533 56.100 0.195 0.000 0.948 65 R CB -0.069 30.317 30.300 0.143 0.000 0.845 65 R HN 0.224 nan 8.270 nan 0.000 0.430 66 R N -0.616 120.034 120.500 0.249 0.000 2.094 66 R HA -0.240 4.099 4.340 -0.000 0.000 0.239 66 R C 2.342 178.863 176.300 0.368 0.000 1.137 66 R CA 2.037 58.304 56.100 0.280 0.000 0.943 66 R CB -0.930 29.560 30.300 0.317 0.000 0.850 66 R HN 0.344 nan 8.270 nan 0.000 0.433 67 Y N 1.973 122.479 120.300 0.344 0.000 2.053 67 Y HA -0.266 4.283 4.550 -0.000 0.000 0.277 67 Y C 2.135 178.232 175.900 0.328 0.000 1.159 67 Y CA 1.603 59.925 58.100 0.369 0.000 1.125 67 Y CB -0.650 37.959 38.460 0.249 0.000 0.969 67 Y HN -0.050 nan 8.280 nan 0.000 0.492 68 L N -0.794 120.491 121.223 0.104 0.000 1.978 68 L HA -0.320 4.020 4.340 -0.000 0.000 0.218 68 L C 2.516 179.556 176.870 0.282 0.000 1.075 68 L CA 1.392 56.251 54.840 0.032 0.000 0.767 68 L CB -0.922 41.194 42.059 0.094 0.000 0.890 68 L HN 0.318 nan 8.230 nan 0.000 0.434 69 L N -0.515 120.867 121.223 0.264 0.000 1.990 69 L HA -0.313 4.027 4.340 -0.000 0.000 0.213 69 L C 2.685 179.617 176.870 0.103 0.000 1.072 69 L CA 2.007 56.978 54.840 0.220 0.000 0.755 69 L CB -1.660 40.488 42.059 0.147 0.000 0.889 69 L HN 0.422 nan 8.230 nan 0.000 0.432 70 H N -0.139 118.904 119.070 -0.045 0.000 2.466 70 H HA -0.167 4.389 4.556 -0.000 0.000 0.297 70 H C 1.625 176.861 175.328 -0.152 0.000 1.113 70 H CA 1.663 57.606 56.048 -0.175 0.000 1.273 70 H CB 0.434 29.982 29.762 -0.357 0.000 1.371 70 H HN 0.386 nan 8.280 nan 0.000 0.528 71 E N 0.674 120.916 120.200 0.071 0.000 2.385 71 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 71 E C 0.865 177.418 176.600 -0.079 0.000 1.013 71 E CA -0.013 56.426 56.400 0.065 0.000 0.866 71 E CB 0.072 29.798 29.700 0.044 0.000 0.832 71 E HN 0.614 nan 8.360 nan 0.000 0.500 72 Q N 1.374 121.021 119.800 -0.256 0.000 2.364 72 Q HA 0.096 4.436 4.340 -0.000 0.000 0.267 72 Q C -0.458 175.181 176.000 -0.602 0.000 0.999 72 Q CA 0.014 55.190 55.803 -1.045 0.000 0.886 72 Q CB 0.622 28.724 28.738 -1.059 0.000 1.243 72 Q HN -0.146 nan 8.270 nan 0.000 0.415 73 R N 1.705 121.845 120.500 -0.600 0.000 2.608 73 R HA 0.163 4.503 4.340 -0.000 0.000 0.255 73 R C 1.197 177.299 176.300 -0.331 0.000 1.086 73 R CA -0.568 55.301 56.100 -0.385 0.000 1.125 73 R CB 0.343 30.447 30.300 -0.327 0.000 1.193 73 R HN 0.686 nan 8.270 nan 0.000 0.553 74 E N 1.268 121.321 120.200 -0.246 0.000 2.055 74 E HA -0.300 4.050 4.350 -0.000 0.000 0.209 74 E C 1.147 177.630 176.600 -0.196 0.000 1.036 74 E CA 2.544 58.828 56.400 -0.194 0.000 0.849 74 E CB -0.309 29.299 29.700 -0.154 0.000 0.767 74 E HN 0.745 nan 8.360 nan 0.000 0.461 75 D N -0.843 119.431 120.400 -0.210 0.000 2.393 75 D HA -0.069 4.571 4.640 -0.000 0.000 0.220 75 D C 1.147 177.314 176.300 -0.223 0.000 0.974 75 D CA 1.094 54.971 54.000 -0.205 0.000 0.931 75 D CB -0.372 40.282 40.800 -0.243 0.000 0.889 75 D HN 0.376 nan 8.370 nan 0.000 0.512 76 G N -0.450 108.176 108.800 -0.290 0.000 2.171 76 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.238 76 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.238 76 G C 0.322 174.959 174.900 -0.439 0.000 1.039 76 G CA 0.550 45.451 45.100 -0.331 0.000 0.759 76 G HN 0.883 nan 8.290 nan 0.000 0.501 77 T N -3.650 110.581 114.554 -0.539 0.000 2.724 77 T HA 0.808 5.158 4.350 -0.000 0.000 0.274 77 T C -0.618 173.739 174.700 -0.572 0.000 0.984 77 T CA -0.989 60.866 62.100 -0.409 0.000 1.024 77 T CB 2.325 70.976 68.868 -0.363 0.000 1.320 77 T HN 0.595 nan 8.240 nan 0.000 0.555 78 W N -0.040 121.249 121.300 -0.019 0.000 3.022 78 W HA 0.694 5.354 4.660 -0.000 0.000 0.335 78 W C -0.239 176.267 176.519 -0.023 0.000 1.133 78 W CA -1.145 56.185 57.345 -0.025 0.000 1.219 78 W CB 2.317 31.789 29.460 0.021 0.000 1.409 78 W HN 1.102 nan 8.180 nan 0.000 0.507 79 A N 1.948 124.843 122.820 0.124 0.000 2.312 79 A HA 0.694 5.014 4.320 -0.000 0.000 0.310 79 A C 0.485 178.116 177.584 0.078 0.000 1.139 79 A CA -0.540 51.506 52.037 0.015 0.000 0.886 79 A CB 1.178 20.044 19.000 -0.223 0.000 1.350 79 A HN 0.699 nan 8.150 nan 0.000 0.479 80 L N -1.096 120.190 121.223 0.105 0.000 2.209 80 L HA 0.106 4.446 4.340 -0.000 0.000 0.207 80 L C 0.043 177.072 176.870 0.265 0.000 1.094 80 L CA 0.925 55.944 54.840 0.298 0.000 0.790 80 L CB -0.492 41.903 42.059 0.560 0.000 0.932 80 L HN 0.779 nan 8.230 nan 0.000 0.447 81 Y N -2.581 117.664 120.300 -0.092 0.000 2.534 81 Y HA 0.609 5.159 4.550 -0.000 0.000 0.345 81 Y C -2.847 172.831 175.900 -0.369 0.000 1.031 81 Y CA -4.208 53.616 58.100 -0.460 0.000 1.022 81 Y CB -0.382 37.855 38.460 -0.372 0.000 1.292 81 Y HN -0.221 nan 8.280 nan 0.000 0.459 82 P HA 0.116 nan 4.420 nan 0.000 0.261 82 P C 0.812 178.032 177.300 -0.135 0.000 1.183 82 P CA 1.935 64.891 63.100 -0.239 0.000 0.761 82 P CB 0.771 32.359 31.700 -0.187 0.000 0.785 83 G N 1.990 110.682 108.800 -0.181 0.000 2.179 83 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.260 83 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.260 83 G C 0.503 175.217 174.900 -0.310 0.000 0.977 83 G CA -0.079 44.943 45.100 -0.130 0.000 0.641 83 G HN 0.909 nan 8.290 nan 0.000 0.533 84 G N 0.343 108.722 108.800 -0.702 0.000 2.562 84 G HA2 0.675 4.635 3.960 -0.000 0.000 0.275 84 G HA3 0.675 4.635 3.960 -0.000 0.000 0.275 84 G C -1.404 173.208 174.900 -0.478 0.000 1.196 84 G CA -0.401 44.052 45.100 -1.077 0.000 0.908 84 G HN 0.303 nan 8.290 nan 0.000 0.524 85 P HA 0.209 nan 4.420 nan 0.000 0.272 85 P C -2.556 174.668 177.300 -0.126 0.000 1.230 85 P CA -1.141 61.875 63.100 -0.140 0.000 0.788 85 P CB 0.603 32.293 31.700 -0.017 0.000 0.949 86 P HA 0.024 nan 4.420 nan 0.000 0.268 86 P C -0.442 176.955 177.300 0.161 0.000 1.204 86 P CA 0.526 63.509 63.100 -0.194 0.000 0.768 86 P CB 0.628 31.818 31.700 -0.849 0.000 0.842 87 D N 2.712 123.284 120.400 0.286 0.000 2.217 87 D HA 0.086 4.725 4.640 -0.000 0.000 0.243 87 D C 0.902 177.459 176.300 0.429 0.000 1.054 87 D CA -0.613 53.595 54.000 0.346 0.000 0.838 87 D CB 1.674 42.643 40.800 0.282 0.000 1.162 87 D HN 0.050 nan 8.370 nan 0.000 0.472 88 L N 4.640 126.029 121.223 0.278 0.000 1.948 88 L HA -0.125 4.214 4.340 -0.000 0.000 0.212 88 L C 1.631 178.550 176.870 0.081 0.000 1.074 88 L CA 1.813 56.689 54.840 0.061 0.000 0.753 88 L CB -0.607 41.412 42.059 -0.067 0.000 0.888 88 L HN 0.479 nan 8.230 nan 0.000 0.432 89 D N -0.806 119.640 120.400 0.076 0.000 2.177 89 D HA -0.259 4.381 4.640 -0.000 0.000 0.189 89 D C 1.899 178.231 176.300 0.053 0.000 1.002 89 D CA 2.461 56.486 54.000 0.042 0.000 0.845 89 D CB -0.727 40.102 40.800 0.048 0.000 0.960 89 D HN 0.433 nan 8.370 nan 0.000 0.447 90 T N 0.930 115.554 114.554 0.118 0.000 2.635 90 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 90 T C 2.146 176.889 174.700 0.071 0.000 1.040 90 T CA 2.283 64.442 62.100 0.097 0.000 1.156 90 T CB -0.787 68.198 68.868 0.194 0.000 0.863 90 T HN 0.197 nan 8.240 nan 0.000 0.430 91 T N 2.159 116.869 114.554 0.259 0.000 2.720 91 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 91 T C 2.011 176.839 174.700 0.213 0.000 1.037 91 T CA 1.006 63.358 62.100 0.421 0.000 1.144 91 T CB -0.485 68.752 68.868 0.615 0.000 0.864 91 T HN 0.341 nan 8.240 nan 0.000 0.444 92 I N 0.925 121.558 120.570 0.104 0.000 2.099 92 I HA -0.195 3.975 4.170 -0.000 0.000 0.239 92 I C 2.703 178.850 176.117 0.050 0.000 1.066 92 I CA 1.569 62.901 61.300 0.053 0.000 1.324 92 I CB -0.461 37.521 38.000 -0.031 0.000 1.037 92 I HN 0.306 nan 8.210 nan 0.000 0.401 93 E N 0.910 121.086 120.200 -0.041 0.000 2.058 93 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 93 E C 2.324 178.821 176.600 -0.172 0.000 0.997 93 E CA 1.415 57.745 56.400 -0.115 0.000 0.801 93 E CB -0.228 29.363 29.700 -0.182 0.000 0.746 93 E HN 0.521 nan 8.360 nan 0.000 0.450 94 A N 0.569 123.210 122.820 -0.297 0.000 1.978 94 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 94 A C 1.994 179.381 177.584 -0.328 0.000 1.170 94 A CA 1.429 53.123 52.037 -0.571 0.000 0.636 94 A CB -0.702 17.415 19.000 -1.472 0.000 0.810 94 A HN 0.414 nan 8.150 nan 0.000 0.448 95 Y N 0.787 120.972 120.300 -0.192 0.000 2.089 95 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 95 Y C 2.381 178.280 175.900 -0.001 0.000 1.139 95 Y CA 2.120 60.224 58.100 0.007 0.000 1.123 95 Y CB -0.557 37.950 38.460 0.078 0.000 0.980 95 Y HN 0.057 nan 8.280 nan 0.000 0.493 96 V N 0.943 120.862 119.914 0.009 0.000 2.324 96 V HA -0.383 3.737 4.120 -0.000 0.000 0.250 96 V C 2.699 178.739 176.094 -0.090 0.000 1.060 96 V CA 1.881 64.148 62.300 -0.055 0.000 1.042 96 V CB -1.881 29.956 31.823 0.024 0.000 0.650 96 V HN 0.597 nan 8.190 nan 0.000 0.450 97 A N -0.001 122.756 122.820 -0.104 0.000 1.865 97 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 97 A C 2.253 179.829 177.584 -0.013 0.000 1.191 97 A CA 2.180 54.172 52.037 -0.075 0.000 0.623 97 A CB -0.638 18.296 19.000 -0.109 0.000 0.826 97 A HN 0.493 nan 8.150 nan 0.000 0.444 98 L N -0.764 120.417 121.223 -0.069 0.000 1.989 98 L HA -0.225 4.114 4.340 -0.000 0.000 0.211 98 L C 2.667 179.497 176.870 -0.066 0.000 1.071 98 L CA 2.069 56.888 54.840 -0.035 0.000 0.749 98 L CB -0.448 41.598 42.059 -0.021 0.000 0.890 98 L HN 0.473 nan 8.230 nan 0.000 0.431 99 K N -0.754 119.525 120.400 -0.201 0.000 2.211 99 K HA -0.269 4.050 4.320 -0.000 0.000 0.204 99 K C 2.160 178.726 176.600 -0.057 0.000 1.047 99 K CA 1.565 57.738 56.287 -0.189 0.000 0.935 99 K CB -0.156 32.140 32.500 -0.340 0.000 0.728 99 K HN 0.257 nan 8.250 nan 0.000 0.452 100 Y N 0.620 120.848 120.300 -0.121 0.000 2.365 100 Y HA 0.021 4.571 4.550 -0.000 0.000 0.293 100 Y C 1.510 177.378 175.900 -0.054 0.000 1.119 100 Y CA 0.985 59.032 58.100 -0.089 0.000 1.203 100 Y CB 0.138 38.540 38.460 -0.098 0.000 1.026 100 Y HN -0.024 nan 8.280 nan 0.000 0.549 101 I N -0.759 119.888 120.570 0.129 0.000 2.493 101 I HA -0.076 4.094 4.170 -0.000 0.000 0.254 101 I C 2.035 178.136 176.117 -0.026 0.000 1.160 101 I CA 1.614 62.962 61.300 0.079 0.000 1.445 101 I CB -0.302 37.767 38.000 0.115 0.000 1.086 101 I HN 0.476 nan 8.210 nan 0.000 0.433 102 G N -0.972 107.803 108.800 -0.042 0.000 3.685 102 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.215 102 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.215 102 G C 0.391 175.273 174.900 -0.030 0.000 0.987 102 G CA -0.640 44.432 45.100 -0.045 0.000 0.884 102 G HN -0.065 nan 8.290 nan 0.000 0.406 103 M N 2.952 122.542 119.600 -0.017 0.000 2.243 103 M HA 0.189 4.669 4.480 -0.000 0.000 0.365 103 M C 0.877 177.163 176.300 -0.024 0.000 1.327 103 M CA 0.552 55.845 55.300 -0.011 0.000 0.918 103 M CB -0.015 32.577 32.600 -0.012 0.000 1.894 103 M HN 0.594 nan 8.290 nan 0.000 0.473 104 S N 3.354 119.057 115.700 0.005 0.000 2.508 104 S HA 0.446 4.916 4.470 -0.000 0.000 0.284 104 S C 0.980 175.609 174.600 0.049 0.000 1.192 104 S CA -1.043 57.168 58.200 0.017 0.000 1.070 104 S CB 1.394 64.608 63.200 0.023 0.000 1.004 104 S HN 0.771 nan 8.310 nan 0.000 0.493 105 R N 1.443 121.988 120.500 0.075 0.000 2.276 105 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 105 R C 0.277 176.654 176.300 0.127 0.000 1.161 105 R CA 1.791 57.981 56.100 0.150 0.000 1.007 105 R CB -0.698 29.706 30.300 0.173 0.000 0.867 105 R HN 0.618 nan 8.270 nan 0.000 0.472 106 D N 1.471 121.921 120.400 0.084 0.000 2.110 106 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 106 D C 0.127 176.466 176.300 0.065 0.000 0.975 106 D CA 0.655 54.695 54.000 0.067 0.000 0.839 106 D CB -0.282 40.547 40.800 0.048 0.000 0.996 106 D HN 0.405 nan 8.370 nan 0.000 0.464 107 E N 1.915 122.151 120.200 0.060 0.000 2.696 107 E HA -0.131 4.219 4.350 -0.000 0.000 0.270 107 E C 1.189 177.826 176.600 0.061 0.000 0.958 107 E CA 0.185 56.617 56.400 0.053 0.000 0.964 107 E CB 0.811 30.542 29.700 0.052 0.000 0.948 107 E HN 0.200 nan 8.360 nan 0.000 0.472 108 E N 2.650 122.874 120.200 0.040 0.000 2.068 108 E HA -0.228 4.121 4.350 -0.000 0.000 0.207 108 E C -0.672 175.952 176.600 0.039 0.000 1.032 108 E CA 1.908 58.325 56.400 0.029 0.000 0.839 108 E CB -1.240 28.464 29.700 0.006 0.000 0.758 108 E HN 0.457 nan 8.360 nan 0.000 0.457 109 P HA -0.169 nan 4.420 nan 0.000 0.214 109 P C 1.569 178.960 177.300 0.151 0.000 1.163 109 P CA 1.486 64.624 63.100 0.063 0.000 0.889 109 P CB -0.110 31.640 31.700 0.083 0.000 0.790 110 M N -1.292 118.425 119.600 0.195 0.000 2.149 110 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 110 M C 2.031 178.496 176.300 0.276 0.000 1.064 110 M CA 1.728 57.230 55.300 0.338 0.000 1.102 110 M CB -1.713 31.047 32.600 0.268 0.000 1.369 110 M HN 0.044 nan 8.290 nan 0.000 0.408 111 Q N 0.792 120.683 119.800 0.152 0.000 1.967 111 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 111 Q C 2.110 178.151 176.000 0.068 0.000 0.985 111 Q CA 1.516 57.376 55.803 0.095 0.000 0.839 111 Q CB -0.440 28.336 28.738 0.062 0.000 0.906 111 Q HN 0.530 nan 8.270 nan 0.000 0.423 112 K N 0.263 120.693 120.400 0.049 0.000 2.103 112 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 112 K C 2.064 178.699 176.600 0.058 0.000 1.048 112 K CA 1.197 57.498 56.287 0.025 0.000 0.930 112 K CB -0.161 32.322 32.500 -0.028 0.000 0.716 112 K HN 0.156 nan 8.250 nan 0.000 0.444 113 A N 1.689 124.566 122.820 0.096 0.000 1.855 113 A HA -0.146 4.173 4.320 -0.000 0.000 0.215 113 A C 2.141 179.771 177.584 0.077 0.000 1.191 113 A CA 1.058 53.199 52.037 0.174 0.000 0.613 113 A CB -0.717 18.497 19.000 0.358 0.000 0.829 113 A HN 0.248 nan 8.150 nan 0.000 0.442 114 L N -0.645 120.543 121.223 -0.060 0.000 1.990 114 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 114 L C 2.901 179.712 176.870 -0.098 0.000 1.072 114 L CA 1.591 56.289 54.840 -0.238 0.000 0.755 114 L CB -0.334 41.613 42.059 -0.187 0.000 0.889 114 L HN 0.377 nan 8.230 nan 0.000 0.432 115 R N -0.626 119.871 120.500 -0.005 0.000 2.115 115 R HA -0.267 4.073 4.340 -0.000 0.000 0.239 115 R C 2.173 178.514 176.300 0.067 0.000 1.133 115 R CA 2.134 58.251 56.100 0.028 0.000 0.935 115 R CB -1.413 28.918 30.300 0.052 0.000 0.853 115 R HN 0.372 nan 8.270 nan 0.000 0.433 116 F N 2.210 122.136 119.950 -0.040 0.000 2.126 116 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 116 F C 2.133 177.917 175.800 -0.028 0.000 1.096 116 F CA 1.064 59.048 58.000 -0.026 0.000 1.255 116 F CB -0.321 38.668 39.000 -0.018 0.000 0.997 116 F HN -0.134 nan 8.300 nan 0.000 0.479 117 I N 0.747 121.142 120.570 -0.290 0.000 2.099 117 I HA -0.344 3.826 4.170 -0.000 0.000 0.239 117 I C 2.397 178.330 176.117 -0.305 0.000 1.066 117 I CA 1.712 62.770 61.300 -0.403 0.000 1.324 117 I CB -1.753 36.071 38.000 -0.293 0.000 1.037 117 I HN 0.313 nan 8.210 nan 0.000 0.401 118 Q N 0.824 120.514 119.800 -0.184 0.000 2.061 118 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 118 Q C 2.160 178.105 176.000 -0.092 0.000 0.984 118 Q CA 2.180 57.915 55.803 -0.114 0.000 0.846 118 Q CB -0.424 28.276 28.738 -0.065 0.000 0.902 118 Q HN 0.644 nan 8.270 nan 0.000 0.421 119 S N 0.330 115.986 115.700 -0.073 0.000 2.571 119 S HA -0.104 4.366 4.470 -0.000 0.000 0.245 119 S C 1.427 175.993 174.600 -0.058 0.000 0.976 119 S CA 0.721 58.906 58.200 -0.025 0.000 0.954 119 S CB 0.074 63.305 63.200 0.052 0.000 0.756 119 S HN 0.241 nan 8.310 nan 0.000 0.535 120 Q N 0.031 119.736 119.800 -0.158 0.000 2.217 120 Q HA 0.331 4.671 4.340 -0.000 0.000 0.217 120 Q C 1.255 177.193 176.000 -0.105 0.000 0.844 120 Q CA 0.605 56.313 55.803 -0.159 0.000 0.957 120 Q CB 0.748 29.281 28.738 -0.342 0.000 1.127 120 Q HN 0.740 nan 8.270 nan 0.000 0.503 121 G N -0.013 108.737 108.800 -0.082 0.000 2.163 121 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.213 121 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.213 121 G C 0.611 175.478 174.900 -0.055 0.000 0.991 121 G CA 0.115 45.189 45.100 -0.044 0.000 0.653 121 G HN 0.723 nan 8.290 nan 0.000 0.518 122 G N -0.429 108.306 108.800 -0.109 0.000 2.697 122 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.240 122 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.240 122 G C 1.106 175.914 174.900 -0.154 0.000 1.346 122 G CA 0.326 45.346 45.100 -0.135 0.000 0.887 122 G HN 1.386 nan 8.290 nan 0.000 0.569 123 I N 0.298 120.736 120.570 -0.219 0.000 2.300 123 I HA -0.169 4.000 4.170 -0.000 0.000 0.252 123 I C 2.323 178.335 176.117 -0.175 0.000 1.119 123 I CA 2.434 63.579 61.300 -0.260 0.000 1.384 123 I CB -0.115 37.615 38.000 -0.449 0.000 1.062 123 I HN 0.568 nan 8.210 nan 0.000 0.426 124 E N 0.445 120.615 120.200 -0.051 0.000 2.472 124 E HA -0.093 4.257 4.350 -0.000 0.000 0.200 124 E C 1.689 178.289 176.600 -0.001 0.000 1.046 124 E CA 0.622 57.044 56.400 0.037 0.000 0.871 124 E CB 0.005 29.775 29.700 0.117 0.000 0.806 124 E HN 0.468 nan 8.360 nan 0.000 0.533 125 S N 0.063 115.736 115.700 -0.044 0.000 2.554 125 S HA 0.053 4.522 4.470 -0.000 0.000 0.226 125 S C 0.623 175.198 174.600 -0.041 0.000 0.980 125 S CA -0.296 57.885 58.200 -0.031 0.000 0.939 125 S CB 0.492 63.669 63.200 -0.038 0.000 0.832 125 S HN 0.187 nan 8.310 nan 0.000 0.486 126 S N 2.383 118.036 115.700 -0.077 0.000 2.646 126 S HA 0.522 4.992 4.470 -0.000 0.000 0.276 126 S C 0.224 174.783 174.600 -0.069 0.000 1.222 126 S CA -1.115 57.041 58.200 -0.073 0.000 1.014 126 S CB 0.741 63.874 63.200 -0.112 0.000 0.991 126 S HN 0.529 nan 8.310 nan 0.000 0.533 127 R N 0.656 121.130 120.500 -0.043 0.000 2.817 127 R HA 0.158 4.498 4.340 -0.000 0.000 0.264 127 R C 0.742 176.971 176.300 -0.118 0.000 1.009 127 R CA -0.489 55.572 56.100 -0.064 0.000 1.133 127 R CB -0.311 29.952 30.300 -0.061 0.000 1.013 127 R HN 0.391 nan 8.270 nan 0.000 0.453 128 V N 0.907 120.704 119.914 -0.196 0.000 2.287 128 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 128 V C 2.111 178.132 176.094 -0.122 0.000 1.053 128 V CA 1.848 64.027 62.300 -0.202 0.000 1.027 128 V CB -0.926 30.694 31.823 -0.339 0.000 0.646 128 V HN 0.677 nan 8.190 nan 0.000 0.447 129 F N 1.113 120.990 119.950 -0.123 0.000 2.065 129 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 129 F C 2.646 178.516 175.800 0.117 0.000 1.112 129 F CA 2.101 60.101 58.000 0.001 0.000 1.212 129 F CB -1.679 37.300 39.000 -0.034 0.000 0.975 129 F HN 0.123 nan 8.300 nan 0.000 0.476 130 T N -0.232 114.440 114.554 0.197 0.000 2.652 130 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 130 T C 2.125 176.825 174.700 0.001 0.000 1.039 130 T CA 1.628 63.784 62.100 0.093 0.000 1.153 130 T CB -0.336 68.512 68.868 -0.033 0.000 0.863 130 T HN 0.171 nan 8.240 nan 0.000 0.428 131 R N 0.310 120.710 120.500 -0.166 0.000 2.127 131 R HA 0.021 4.361 4.340 -0.000 0.000 0.238 131 R C 2.544 178.709 176.300 -0.225 0.000 1.134 131 R CA 1.244 57.082 56.100 -0.437 0.000 0.975 131 R CB -0.341 29.576 30.300 -0.639 0.000 0.865 131 R HN 0.425 nan 8.270 nan 0.000 0.447 132 M N -0.605 118.939 119.600 -0.093 0.000 2.123 132 M HA -0.172 4.307 4.480 -0.000 0.000 0.263 132 M C 1.452 177.649 176.300 -0.172 0.000 1.069 132 M CA 1.728 56.913 55.300 -0.192 0.000 1.133 132 M CB -0.159 32.400 32.600 -0.067 0.000 1.356 132 M HN 0.152 nan 8.290 nan 0.000 0.415 133 W N 1.001 122.290 121.300 -0.019 0.000 2.318 133 W HA -0.221 4.439 4.660 -0.000 0.000 0.313 133 W C 2.142 178.657 176.519 -0.008 0.000 1.221 133 W CA 1.458 58.822 57.345 0.032 0.000 1.266 133 W CB -0.576 28.907 29.460 0.038 0.000 1.150 133 W HN 0.201 nan 8.180 nan 0.000 0.496 134 L N -0.359 120.976 121.223 0.186 0.000 2.079 134 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 134 L C 2.595 179.511 176.870 0.076 0.000 1.081 134 L CA 1.235 56.145 54.840 0.117 0.000 0.752 134 L CB -1.263 40.817 42.059 0.034 0.000 0.896 134 L HN 0.022 nan 8.230 nan 0.000 0.433 135 A N 0.158 122.931 122.820 -0.079 0.000 1.902 135 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 135 A C 2.244 179.679 177.584 -0.249 0.000 1.181 135 A CA 1.381 53.217 52.037 -0.335 0.000 0.623 135 A CB -0.695 17.715 19.000 -0.983 0.000 0.818 135 A HN 0.359 nan 8.150 nan 0.000 0.443 136 L N -0.127 121.031 121.223 -0.109 0.000 2.127 136 L HA -0.164 4.175 4.340 -0.000 0.000 0.211 136 L C 2.140 179.212 176.870 0.336 0.000 1.089 136 L CA 1.498 56.475 54.840 0.229 0.000 0.757 136 L CB -0.276 41.913 42.059 0.217 0.000 0.899 136 L HN 0.471 nan 8.230 nan 0.000 0.434 137 V N -3.940 116.144 119.914 0.283 0.000 3.596 137 V HA 0.472 4.592 4.120 -0.000 0.000 0.289 137 V C 1.236 177.475 176.094 0.242 0.000 1.336 137 V CA 0.246 62.742 62.300 0.326 0.000 1.137 137 V CB -0.344 31.661 31.823 0.304 0.000 0.966 137 V HN 0.452 nan 8.190 nan 0.000 0.428 138 G N 0.998 109.912 108.800 0.189 0.000 2.147 138 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 138 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 138 G C 0.284 175.283 174.900 0.164 0.000 1.005 138 G CA 0.458 45.655 45.100 0.161 0.000 0.713 138 G HN 0.545 nan 8.290 nan 0.000 0.515 139 E N -1.288 119.023 120.200 0.185 0.000 2.501 139 E HA 0.327 4.677 4.350 -0.000 0.000 0.200 139 E C -0.287 176.525 176.600 0.353 0.000 1.016 139 E CA -0.164 56.377 56.400 0.236 0.000 0.921 139 E CB 0.467 30.284 29.700 0.195 0.000 1.034 139 E HN 0.664 nan 8.360 nan 0.000 0.468 140 Y N 0.720 121.078 120.300 0.096 0.000 2.474 140 Y HA 0.222 4.772 4.550 -0.000 0.000 0.326 140 Y C -2.639 173.265 175.900 0.007 0.000 1.160 140 Y CA -2.285 55.872 58.100 0.095 0.000 1.056 140 Y CB 1.901 40.372 38.460 0.018 0.000 1.330 140 Y HN -0.170 nan 8.280 nan 0.000 0.447 141 P HA 0.005 nan 4.420 nan 0.000 0.271 141 P C 0.217 177.425 177.300 -0.153 0.000 1.233 141 P CA 0.335 63.280 63.100 -0.259 0.000 0.764 141 P CB 0.612 32.130 31.700 -0.303 0.000 0.825 142 W N 2.553 123.847 121.300 -0.008 0.000 2.364 142 W HA -0.168 4.492 4.660 -0.000 0.000 0.281 142 W C 1.917 178.506 176.519 0.117 0.000 1.219 142 W CA 1.048 58.440 57.345 0.078 0.000 1.220 142 W CB -0.458 29.035 29.460 0.056 0.000 1.127 142 W HN 0.430 nan 8.180 nan 0.000 0.556 143 E N -0.015 120.339 120.200 0.256 0.000 2.204 143 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 143 E C 1.270 177.795 176.600 -0.125 0.000 0.990 143 E CA 1.120 57.587 56.400 0.111 0.000 0.821 143 E CB -0.275 29.437 29.700 0.021 0.000 0.750 143 E HN 0.168 nan 8.360 nan 0.000 0.477 144 K N 0.635 120.999 120.400 -0.060 0.000 2.577 144 K HA 0.187 4.506 4.320 -0.000 0.000 0.210 144 K C -0.707 176.003 176.600 0.183 0.000 1.048 144 K CA -0.015 56.251 56.287 -0.034 0.000 1.188 144 K CB 0.829 33.248 32.500 -0.135 0.000 0.910 144 K HN -0.059 nan 8.250 nan 0.000 0.483 145 V N 2.131 122.199 119.914 0.257 0.000 2.540 145 V HA 0.229 4.349 4.120 -0.000 0.000 0.302 145 V C -2.489 173.845 176.094 0.401 0.000 1.035 145 V CA -2.613 59.885 62.300 0.329 0.000 0.873 145 V CB 1.713 33.726 31.823 0.316 0.000 0.992 145 V HN 0.032 nan 8.190 nan 0.000 0.428 146 P HA 0.081 nan 4.420 nan 0.000 0.260 146 P C -0.391 177.060 177.300 0.253 0.000 1.185 146 P CA 0.069 63.366 63.100 0.327 0.000 0.763 146 P CB 0.260 32.145 31.700 0.308 0.000 0.776 147 M N 5.252 124.954 119.600 0.170 0.000 2.211 147 M HA 0.259 4.739 4.480 -0.000 0.000 0.356 147 M C -1.050 175.167 176.300 -0.138 0.000 1.216 147 M CA 0.097 55.344 55.300 -0.089 0.000 1.134 147 M CB 0.626 33.001 32.600 -0.376 0.000 1.564 147 M HN 0.000 nan 8.290 nan 0.000 0.463 148 V N 8.367 128.137 119.914 -0.241 0.000 2.385 148 V HA 0.439 4.558 4.120 -0.000 0.000 0.277 148 V C -2.235 173.709 176.094 -0.249 0.000 1.012 148 V CA -1.251 60.868 62.300 -0.302 0.000 0.832 148 V CB 1.154 32.638 31.823 -0.565 0.000 1.028 148 V HN 0.797 nan 8.190 nan 0.000 0.436 149 P HA 0.234 nan 4.420 nan 0.000 0.271 149 P C -2.449 174.761 177.300 -0.149 0.000 1.216 149 P CA -1.504 61.522 63.100 -0.123 0.000 0.776 149 P CB 1.418 33.105 31.700 -0.022 0.000 0.881 150 P HA -0.130 nan 4.420 nan 0.000 0.220 150 P C 1.145 178.311 177.300 -0.223 0.000 1.148 150 P CA 1.388 64.375 63.100 -0.188 0.000 0.803 150 P CB 0.014 31.623 31.700 -0.151 0.000 0.782 151 E N -0.587 119.565 120.200 -0.080 0.000 2.267 151 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 151 E C 1.789 178.346 176.600 -0.072 0.000 0.998 151 E CA 0.428 56.841 56.400 0.023 0.000 0.830 151 E CB -1.125 28.751 29.700 0.292 0.000 0.751 151 E HN 0.277 nan 8.360 nan 0.000 0.491 152 I N 0.193 120.690 120.570 -0.122 0.000 2.502 152 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 152 I C 1.121 177.116 176.117 -0.204 0.000 1.172 152 I CA 0.949 62.173 61.300 -0.126 0.000 1.430 152 I CB 0.086 37.976 38.000 -0.183 0.000 1.086 152 I HN 0.156 nan 8.210 nan 0.000 0.440 153 M N -0.330 119.048 119.600 -0.369 0.000 2.632 153 M HA -0.114 4.366 4.480 -0.000 0.000 0.256 153 M C 1.424 177.497 176.300 -0.380 0.000 1.080 153 M CA 1.249 56.281 55.300 -0.447 0.000 1.084 153 M CB -1.048 31.215 32.600 -0.561 0.000 1.439 153 M HN 0.225 nan 8.290 nan 0.000 0.509 154 F N -0.044 119.876 119.950 -0.050 0.000 2.698 154 F HA 0.203 4.730 4.527 -0.000 0.000 0.295 154 F C 1.018 176.805 175.800 -0.021 0.000 1.124 154 F CA -0.504 57.475 58.000 -0.034 0.000 1.426 154 F CB -0.588 38.389 39.000 -0.038 0.000 1.120 154 F HN -0.079 nan 8.300 nan 0.000 0.583 155 L N 0.811 122.111 121.223 0.129 0.000 2.513 155 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 155 L C 1.209 178.134 176.870 0.093 0.000 1.187 155 L CA -0.203 54.693 54.840 0.094 0.000 0.895 155 L CB -0.518 41.581 42.059 0.066 0.000 1.147 155 L HN 0.127 nan 8.230 nan 0.000 0.483 156 G N 2.487 111.339 108.800 0.086 0.000 2.667 156 G HA2 0.089 4.049 3.960 -0.000 0.000 0.250 156 G HA3 0.089 4.049 3.960 -0.000 0.000 0.250 156 G C 0.740 175.698 174.900 0.096 0.000 1.212 156 G CA -0.525 44.624 45.100 0.082 0.000 0.874 156 G HN 0.778 nan 8.290 nan 0.000 0.561 157 K N -0.023 120.428 120.400 0.085 0.000 2.077 157 K HA -0.158 4.162 4.320 -0.000 0.000 0.213 157 K C 1.432 178.076 176.600 0.074 0.000 1.051 157 K CA 1.475 57.808 56.287 0.077 0.000 0.929 157 K CB -0.055 32.443 32.500 -0.003 0.000 0.715 157 K HN 0.497 nan 8.250 nan 0.000 0.451 158 R N 1.284 121.813 120.500 0.049 0.000 3.559 158 R HA 0.319 4.659 4.340 -0.000 0.000 0.273 158 R C -0.607 175.717 176.300 0.040 0.000 1.423 158 R CA 0.086 56.210 56.100 0.041 0.000 1.581 158 R CB -0.207 30.108 30.300 0.023 0.000 1.338 158 R HN 0.079 nan 8.270 nan 0.000 0.667 159 M N 1.767 121.399 119.600 0.053 0.000 2.550 159 M HA 0.427 4.907 4.480 -0.000 0.000 0.292 159 M C -2.553 173.776 176.300 0.049 0.000 1.221 159 M CA -2.234 53.094 55.300 0.046 0.000 0.873 159 M CB 3.687 36.318 32.600 0.051 0.000 1.727 159 M HN 0.008 nan 8.290 nan 0.000 0.459 160 P HA 0.085 nan 4.420 nan 0.000 0.265 160 P C -0.007 177.328 177.300 0.059 0.000 1.222 160 P CA 0.480 63.605 63.100 0.043 0.000 0.767 160 P CB 0.325 32.051 31.700 0.043 0.000 0.801 161 L N -0.474 120.776 121.223 0.045 0.000 4.613 161 L HA -0.264 4.075 4.340 -0.000 0.000 0.409 161 L C 0.576 177.548 176.870 0.170 0.000 1.100 161 L CA 0.389 55.284 54.840 0.092 0.000 1.029 161 L CB -2.113 40.022 42.059 0.127 0.000 2.137 161 L HN 0.519 nan 8.230 nan 0.000 0.713 162 N N 1.156 119.928 118.700 0.120 0.000 2.492 162 N HA 0.261 5.001 4.740 -0.000 0.000 0.260 162 N C 1.406 176.988 175.510 0.121 0.000 1.215 162 N CA 0.160 53.271 53.050 0.103 0.000 0.923 162 N CB 0.494 39.057 38.487 0.127 0.000 1.092 162 N HN 0.393 nan 8.380 nan 0.000 0.448 163 I N -2.263 118.259 120.570 -0.081 0.000 2.730 163 I HA -0.288 3.882 4.170 -0.000 0.000 0.266 163 I C 0.170 176.135 176.117 -0.253 0.000 1.228 163 I CA 1.296 62.424 61.300 -0.287 0.000 1.445 163 I CB -0.539 37.023 38.000 -0.730 0.000 1.102 163 I HN 0.490 nan 8.210 nan 0.000 0.464 164 Y N 1.432 121.784 120.300 0.087 0.000 2.461 164 Y HA 0.196 4.745 4.550 -0.000 0.000 0.277 164 Y C 1.985 177.947 175.900 0.103 0.000 1.182 164 Y CA 0.158 58.321 58.100 0.105 0.000 1.276 164 Y CB -0.199 38.312 38.460 0.084 0.000 1.087 164 Y HN 0.320 nan 8.280 nan 0.000 0.519 165 E N -0.844 119.468 120.200 0.187 0.000 2.452 165 E HA 0.058 4.408 4.350 -0.000 0.000 0.197 165 E C -0.341 176.200 176.600 -0.099 0.000 1.022 165 E CA 0.025 56.438 56.400 0.021 0.000 0.890 165 E CB 0.241 29.887 29.700 -0.091 0.000 0.918 165 E HN 0.195 nan 8.360 nan 0.000 0.496 166 F N 1.077 120.975 119.950 -0.088 0.000 2.370 166 F HA 0.334 4.861 4.527 -0.000 0.000 0.324 166 F C 1.426 177.095 175.800 -0.218 0.000 1.116 166 F CA -0.561 57.345 58.000 -0.158 0.000 1.123 166 F CB 0.536 39.423 39.000 -0.189 0.000 1.238 166 F HN -0.208 nan 8.300 nan 0.000 0.536 167 G N 0.323 108.985 108.800 -0.230 0.000 2.406 167 G HA2 0.290 4.250 3.960 -0.000 0.000 0.251 167 G HA3 0.290 4.250 3.960 -0.000 0.000 0.251 167 G C 0.832 175.339 174.900 -0.655 0.000 1.271 167 G CA 0.054 44.764 45.100 -0.650 0.000 0.859 167 G HN 0.843 nan 8.290 nan 0.000 0.540 168 S N 1.409 116.911 115.700 -0.329 0.000 2.408 168 S HA -0.345 4.125 4.470 -0.000 0.000 0.241 168 S C 1.911 176.386 174.600 -0.208 0.000 1.080 168 S CA 2.567 60.681 58.200 -0.143 0.000 1.109 168 S CB -0.936 62.191 63.200 -0.121 0.000 0.966 168 S HN 1.033 nan 8.310 nan 0.000 0.449 169 W N 2.141 123.444 121.300 0.005 0.000 2.418 169 W HA 0.460 5.119 4.660 -0.000 0.000 0.292 169 W C 2.477 179.083 176.519 0.144 0.000 1.213 169 W CA 0.459 57.835 57.345 0.052 0.000 1.283 169 W CB -0.913 28.654 29.460 0.178 0.000 1.119 169 W HN 0.361 nan 8.180 nan 0.000 0.542 170 A N 1.476 124.187 122.820 -0.182 0.000 1.897 170 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 170 A C 2.272 179.807 177.584 -0.083 0.000 1.181 170 A CA 1.596 53.660 52.037 0.045 0.000 0.620 170 A CB -0.925 18.105 19.000 0.051 0.000 0.821 170 A HN 0.386 nan 8.150 nan 0.000 0.443 171 R N -0.069 120.334 120.500 -0.162 0.000 2.097 171 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 171 R C 2.279 178.442 176.300 -0.228 0.000 1.135 171 R CA 1.903 57.833 56.100 -0.283 0.000 0.934 171 R CB -0.517 29.686 30.300 -0.162 0.000 0.846 171 R HN 0.412 nan 8.270 nan 0.000 0.431 172 A N -0.119 122.733 122.820 0.053 0.000 1.940 172 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 172 A C 2.210 179.875 177.584 0.136 0.000 1.176 172 A CA 2.124 54.317 52.037 0.259 0.000 0.631 172 A CB -0.865 18.343 19.000 0.346 0.000 0.814 172 A HN 0.552 nan 8.150 nan 0.000 0.446 173 T N -0.312 114.321 114.554 0.133 0.000 2.737 173 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 173 T C 1.902 176.594 174.700 -0.014 0.000 1.038 173 T CA 1.527 63.735 62.100 0.179 0.000 1.144 173 T CB -0.499 68.571 68.868 0.338 0.000 0.866 173 T HN 0.175 nan 8.240 nan 0.000 0.434 174 V N 1.525 121.342 119.914 -0.162 0.000 2.287 174 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 174 V C 2.710 178.583 176.094 -0.368 0.000 1.053 174 V CA 1.467 63.541 62.300 -0.377 0.000 1.027 174 V CB -0.941 30.482 31.823 -0.666 0.000 0.646 174 V HN 0.313 nan 8.190 nan 0.000 0.447 175 V N 0.419 120.113 119.914 -0.366 0.000 2.287 175 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 175 V C 2.742 178.730 176.094 -0.177 0.000 1.053 175 V CA 2.228 64.332 62.300 -0.326 0.000 1.027 175 V CB -1.335 30.271 31.823 -0.361 0.000 0.646 175 V HN 0.568 nan 8.190 nan 0.000 0.447 176 A N -0.196 122.566 122.820 -0.097 0.000 1.883 176 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 176 A C 2.220 179.738 177.584 -0.111 0.000 1.186 176 A CA 1.981 53.974 52.037 -0.074 0.000 0.624 176 A CB -0.614 18.376 19.000 -0.016 0.000 0.822 176 A HN 0.507 nan 8.150 nan 0.000 0.444 177 L N 0.621 121.743 121.223 -0.168 0.000 2.141 177 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 177 L C 3.012 179.741 176.870 -0.235 0.000 1.094 177 L CA 1.382 56.087 54.840 -0.225 0.000 0.763 177 L CB -0.616 41.248 42.059 -0.325 0.000 0.908 177 L HN 0.649 nan 8.230 nan 0.000 0.437 178 S N 0.527 116.068 115.700 -0.265 0.000 2.374 178 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 178 S C 1.900 176.372 174.600 -0.213 0.000 1.037 178 S CA 1.311 59.355 58.200 -0.260 0.000 1.024 178 S CB -0.770 62.268 63.200 -0.270 0.000 0.861 178 S HN 0.382 nan 8.310 nan 0.000 0.456 179 I N 1.400 121.865 120.570 -0.175 0.000 2.179 179 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 179 I C 2.540 178.562 176.117 -0.159 0.000 1.088 179 I CA 1.253 62.466 61.300 -0.145 0.000 1.357 179 I CB -0.624 37.317 38.000 -0.099 0.000 1.051 179 I HN 0.234 nan 8.210 nan 0.000 0.409 180 V N 0.783 120.613 119.914 -0.139 0.000 2.261 180 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 180 V C 2.416 178.345 176.094 -0.275 0.000 1.047 180 V CA 1.991 64.214 62.300 -0.129 0.000 1.015 180 V CB -0.574 31.229 31.823 -0.033 0.000 0.642 180 V HN 0.404 nan 8.190 nan 0.000 0.446 181 M N -0.152 119.288 119.600 -0.268 0.000 2.460 181 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 181 M C 2.373 178.414 176.300 -0.430 0.000 1.071 181 M CA 1.487 56.554 55.300 -0.388 0.000 1.096 181 M CB -0.506 31.967 32.600 -0.211 0.000 1.408 181 M HN 0.423 nan 8.290 nan 0.000 0.463 182 S N 0.461 115.958 115.700 -0.338 0.000 2.402 182 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 182 S C 1.954 176.334 174.600 -0.366 0.000 1.021 182 S CA 0.979 58.985 58.200 -0.324 0.000 0.974 182 S CB 0.078 63.131 63.200 -0.245 0.000 0.800 182 S HN 0.381 nan 8.310 nan 0.000 0.484 183 R N 0.525 120.804 120.500 -0.368 0.000 2.282 183 R HA 0.281 4.621 4.340 -0.000 0.000 0.195 183 R C 0.138 176.138 176.300 -0.499 0.000 0.909 183 R CA 0.096 55.983 56.100 -0.355 0.000 1.039 183 R CB -0.774 29.378 30.300 -0.246 0.000 1.015 183 R HN 0.552 nan 8.270 nan 0.000 0.513 184 Q N 1.554 120.882 119.800 -0.787 0.000 2.437 184 Q HA -0.138 4.202 4.340 -0.000 0.000 0.354 184 Q C -2.055 173.453 176.000 -0.820 0.000 1.402 184 Q CA 0.156 55.100 55.803 -1.432 0.000 1.020 184 Q CB -1.286 26.639 28.738 -1.354 0.000 1.220 184 Q HN 0.297 nan 8.270 nan 0.000 0.368 185 P HA 0.280 nan 4.420 nan 0.000 0.274 185 P C -0.339 176.877 177.300 -0.140 0.000 1.237 185 P CA -0.259 62.659 63.100 -0.302 0.000 0.793 185 P CB 1.301 32.831 31.700 -0.283 0.000 0.977 186 V N 2.583 122.267 119.914 -0.383 0.000 2.577 186 V HA 0.296 4.416 4.120 -0.000 0.000 0.303 186 V C -0.622 175.203 176.094 -0.447 0.000 1.042 186 V CA -0.270 61.922 62.300 -0.181 0.000 0.872 186 V CB 1.254 33.091 31.823 0.023 0.000 0.998 186 V HN 0.333 nan 8.190 nan 0.000 0.423 187 F N 5.256 125.304 119.950 0.163 0.000 2.371 187 F HA 0.449 4.976 4.527 -0.000 0.000 0.343 187 F C -2.193 173.765 175.800 0.263 0.000 1.150 187 F CA -2.690 55.386 58.000 0.127 0.000 1.220 187 F CB 0.877 39.890 39.000 0.023 0.000 1.475 187 F HN 0.303 nan 8.300 nan 0.000 0.521 188 P HA -0.096 nan 4.420 nan 0.000 0.261 188 P C -0.237 177.282 177.300 0.364 0.000 1.158 188 P CA 0.649 63.916 63.100 0.279 0.000 0.758 188 P CB 0.550 32.358 31.700 0.180 0.000 0.763 189 L N 6.116 127.491 121.223 0.254 0.000 2.375 189 L HA 0.405 4.745 4.340 -0.000 0.000 0.271 189 L C -1.545 175.396 176.870 0.118 0.000 1.107 189 L CA -2.208 52.717 54.840 0.142 0.000 0.806 189 L CB 0.444 42.563 42.059 0.100 0.000 1.146 189 L HN 0.278 nan 8.230 nan 0.000 0.447 190 P HA 0.039 nan 4.420 nan 0.000 0.269 190 P C -0.115 177.206 177.300 0.034 0.000 1.215 190 P CA -0.239 62.888 63.100 0.045 0.000 0.780 190 P CB 0.847 32.544 31.700 -0.006 0.000 0.898 191 E N 0.983 121.205 120.200 0.037 0.000 2.114 191 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 191 E C 2.158 178.772 176.600 0.025 0.000 1.008 191 E CA 1.429 57.852 56.400 0.038 0.000 0.810 191 E CB -0.393 29.328 29.700 0.034 0.000 0.739 191 E HN 0.437 nan 8.360 nan 0.000 0.456 192 R N 0.114 120.613 120.500 -0.001 0.000 2.133 192 R HA -0.161 4.179 4.340 -0.000 0.000 0.247 192 R C 1.613 177.902 176.300 -0.019 0.000 1.151 192 R CA 1.626 57.714 56.100 -0.019 0.000 0.971 192 R CB -0.163 30.104 30.300 -0.055 0.000 0.866 192 R HN 0.246 nan 8.270 nan 0.000 0.447 193 A N 0.743 123.550 122.820 -0.021 0.000 2.348 193 A HA 0.167 4.487 4.320 -0.000 0.000 0.224 193 A C -0.095 177.523 177.584 0.058 0.000 1.227 193 A CA -0.405 51.634 52.037 0.003 0.000 0.885 193 A CB 0.120 19.122 19.000 0.003 0.000 0.933 193 A HN 0.068 nan 8.150 nan 0.000 0.506 194 R N 0.256 120.798 120.500 0.070 0.000 2.585 194 R HA 0.111 4.450 4.340 -0.000 0.000 0.275 194 R C 0.153 176.526 176.300 0.122 0.000 1.018 194 R CA 0.368 56.530 56.100 0.102 0.000 1.072 194 R CB 0.026 30.385 30.300 0.098 0.000 0.953 194 R HN 0.323 nan 8.270 nan 0.000 0.419 195 V N 1.037 121.041 119.914 0.150 0.000 2.622 195 V HA 0.188 4.308 4.120 -0.000 0.000 0.296 195 V C -1.520 174.681 176.094 0.179 0.000 1.174 195 V CA -1.280 61.129 62.300 0.180 0.000 1.391 195 V CB 0.874 32.819 31.823 0.203 0.000 1.553 195 V HN 0.530 nan 8.190 nan 0.000 0.581 196 P HA -0.197 nan 4.420 nan 0.000 0.217 196 P C 1.501 178.942 177.300 0.234 0.000 1.150 196 P CA 1.800 65.060 63.100 0.266 0.000 0.832 196 P CB 0.317 32.131 31.700 0.190 0.000 0.787 197 E N 0.937 121.227 120.200 0.150 0.000 2.333 197 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 197 E C 1.971 178.584 176.600 0.022 0.000 1.010 197 E CA 0.866 57.322 56.400 0.093 0.000 0.841 197 E CB -1.342 28.406 29.700 0.080 0.000 0.757 197 E HN 0.344 nan 8.360 nan 0.000 0.508 198 L N -0.451 120.754 121.223 -0.031 0.000 2.362 198 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 198 L C 1.790 178.522 176.870 -0.231 0.000 1.134 198 L CA 0.947 55.673 54.840 -0.190 0.000 0.807 198 L CB -0.433 41.465 42.059 -0.268 0.000 0.927 198 L HN 0.051 nan 8.230 nan 0.000 0.447 199 Y N -0.371 119.945 120.300 0.027 0.000 2.441 199 Y HA 0.045 4.594 4.550 -0.000 0.000 0.288 199 Y C 1.147 177.057 175.900 0.017 0.000 1.118 199 Y CA -0.501 57.618 58.100 0.033 0.000 1.215 199 Y CB 0.020 38.511 38.460 0.052 0.000 1.118 199 Y HN 0.060 nan 8.280 nan 0.000 0.547 200 E N 1.668 121.968 120.200 0.168 0.000 2.351 200 E HA 0.069 4.419 4.350 -0.000 0.000 0.241 200 E C -0.676 175.955 176.600 0.052 0.000 1.243 200 E CA 0.575 57.032 56.400 0.095 0.000 0.963 200 E CB -0.265 29.479 29.700 0.073 0.000 1.042 200 E HN 0.090 nan 8.360 nan 0.000 0.468 201 T N 1.495 116.081 114.554 0.053 0.000 2.977 201 T HA 0.032 4.382 4.350 -0.000 0.000 0.345 201 T C -0.093 174.627 174.700 0.034 0.000 1.562 201 T CA -0.918 61.199 62.100 0.029 0.000 1.090 201 T CB 1.136 70.009 68.868 0.008 0.000 1.383 201 T HN 0.491 nan 8.240 nan 0.000 0.484 202 D N 0.416 120.830 120.400 0.024 0.000 2.388 202 D HA 0.041 4.681 4.640 -0.000 0.000 0.208 202 D C 0.821 177.134 176.300 0.023 0.000 1.035 202 D CA 0.207 54.222 54.000 0.025 0.000 0.875 202 D CB 0.035 40.848 40.800 0.022 0.000 0.984 202 D HN 0.303 nan 8.370 nan 0.000 0.508 203 V N 4.007 123.931 119.914 0.017 0.000 2.694 203 V HA 0.060 4.180 4.120 -0.000 0.000 0.306 203 V C -1.792 174.313 176.094 0.019 0.000 1.054 203 V CA -0.770 61.538 62.300 0.015 0.000 1.161 203 V CB 0.341 32.166 31.823 0.003 0.000 0.916 203 V HN 0.171 nan 8.190 nan 0.000 0.490 204 P HA 0.147 nan 4.420 nan 0.000 0.267 204 P C -2.476 174.840 177.300 0.026 0.000 1.209 204 P CA -1.332 61.784 63.100 0.027 0.000 0.763 204 P CB 0.139 31.855 31.700 0.028 0.000 0.816 205 P HA 0.027 nan 4.420 nan 0.000 0.264 205 P C 0.093 177.413 177.300 0.032 0.000 1.236 205 P CA 0.134 63.253 63.100 0.032 0.000 0.811 205 P CB 0.167 31.898 31.700 0.051 0.000 0.840 206 R N 3.831 124.346 120.500 0.024 0.000 2.608 206 R HA 0.338 4.678 4.340 -0.000 0.000 0.277 206 R C 0.134 176.454 176.300 0.032 0.000 1.341 206 R CA -0.718 55.401 56.100 0.031 0.000 1.199 206 R CB 0.445 30.764 30.300 0.032 0.000 1.156 206 R HN 0.344 nan 8.270 nan 0.000 0.558 207 R N 2.486 123.009 120.500 0.038 0.000 2.539 207 R HA 0.145 4.485 4.340 -0.000 0.000 0.275 207 R C -0.430 175.895 176.300 0.042 0.000 1.077 207 R CA -0.516 55.607 56.100 0.038 0.000 1.097 207 R CB 0.926 31.254 30.300 0.047 0.000 1.018 207 R HN 0.537 nan 8.270 nan 0.000 0.483 208 R N 1.555 122.078 120.500 0.038 0.000 2.357 208 R HA 0.276 4.616 4.340 -0.000 0.000 0.296 208 R C -0.285 176.037 176.300 0.035 0.000 1.052 208 R CA -0.117 56.008 56.100 0.042 0.000 0.988 208 R CB 1.293 31.621 30.300 0.047 0.000 1.025 208 R HN 0.815 nan 8.270 nan 0.000 0.469 209 G N 1.515 110.339 108.800 0.040 0.000 2.557 209 G HA2 0.520 4.479 3.960 -0.000 0.000 0.302 209 G HA3 0.520 4.479 3.960 -0.000 0.000 0.302 209 G C -0.771 174.142 174.900 0.020 0.000 1.311 209 G CA -0.558 44.566 45.100 0.041 0.000 1.030 209 G HN 0.820 nan 8.290 nan 0.000 0.509 210 A N -0.278 122.556 122.820 0.023 0.000 2.547 210 A HA 0.277 4.596 4.320 -0.000 0.000 0.233 210 A C 1.752 179.323 177.584 -0.022 0.000 1.067 210 A CA 0.132 52.161 52.037 -0.013 0.000 0.763 210 A CB 0.285 19.285 19.000 -0.001 0.000 1.007 210 A HN 0.570 nan 8.150 nan 0.000 0.506 211 K N 1.769 122.124 120.400 -0.075 0.000 1.987 211 K HA -0.165 4.154 4.320 -0.000 0.000 0.216 211 K C 1.844 178.409 176.600 -0.058 0.000 1.051 211 K CA 2.133 58.370 56.287 -0.082 0.000 0.942 211 K CB -0.882 31.539 32.500 -0.132 0.000 0.722 211 K HN 0.840 nan 8.250 nan 0.000 0.444 212 G N -0.083 108.652 108.800 -0.108 0.000 3.042 212 G HA2 0.340 4.300 3.960 -0.000 0.000 0.212 212 G HA3 0.340 4.300 3.960 -0.000 0.000 0.212 212 G C 0.185 175.204 174.900 0.200 0.000 1.166 212 G CA 0.489 45.572 45.100 -0.029 0.000 0.767 212 G HN 0.560 nan 8.290 nan 0.000 0.546 213 G N -1.910 107.008 108.800 0.197 0.000 2.528 213 G HA2 0.478 4.437 3.960 -0.000 0.000 0.681 213 G HA3 0.478 4.437 3.960 -0.000 0.000 0.681 213 G C -0.168 174.875 174.900 0.239 0.000 1.340 213 G CA -0.352 44.873 45.100 0.207 0.000 0.855 213 G HN 0.893 nan 8.290 nan 0.000 0.649 214 G N -0.146 108.752 108.800 0.164 0.000 2.319 214 G HA2 0.749 4.709 3.960 -0.000 0.000 0.308 214 G HA3 0.749 4.709 3.960 -0.000 0.000 0.308 214 G C 0.455 175.473 174.900 0.197 0.000 1.117 214 G CA 0.434 45.645 45.100 0.186 0.000 0.903 214 G HN 1.504 nan 8.290 nan 0.000 0.436 215 G N 2.350 111.319 108.800 0.281 0.000 2.332 215 G HA2 0.391 4.351 3.960 -0.000 0.000 0.310 215 G HA3 0.391 4.351 3.960 -0.000 0.000 0.310 215 G C 0.996 175.910 174.900 0.023 0.000 1.123 215 G CA -0.703 44.472 45.100 0.125 0.000 0.873 215 G HN 0.819 nan 8.290 nan 0.000 0.460 216 W N 3.643 124.956 121.300 0.022 0.000 2.361 216 W HA -0.205 4.455 4.660 -0.000 0.000 0.270 216 W C 0.798 177.285 176.519 -0.053 0.000 1.210 216 W CA 0.470 57.817 57.345 0.003 0.000 1.174 216 W CB -0.674 28.778 29.460 -0.013 0.000 1.131 216 W HN 0.419 nan 8.180 nan 0.000 0.575 217 I N 0.647 120.527 120.570 -1.149 0.000 2.163 217 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 217 I C 2.494 178.229 176.117 -0.636 0.000 1.081 217 I CA 1.787 62.357 61.300 -1.217 0.000 1.353 217 I CB -1.234 35.900 38.000 -1.442 0.000 1.054 217 I HN -0.261 nan 8.210 nan 0.000 0.407 218 F N 0.621 120.448 119.950 -0.205 0.000 2.186 218 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 218 F C 2.295 178.096 175.800 0.001 0.000 1.090 218 F CA 1.447 59.408 58.000 -0.065 0.000 1.307 218 F CB -1.069 37.923 39.000 -0.014 0.000 1.019 218 F HN 0.099 nan 8.300 nan 0.000 0.489 219 D N 0.220 120.733 120.400 0.188 0.000 2.123 219 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 219 D C 2.179 178.567 176.300 0.145 0.000 0.992 219 D CA 1.479 55.584 54.000 0.176 0.000 0.833 219 D CB -0.118 40.795 40.800 0.187 0.000 0.954 219 D HN 0.178 nan 8.370 nan 0.000 0.455 220 A N -0.184 122.701 122.820 0.108 0.000 1.878 220 A HA 0.017 4.337 4.320 -0.000 0.000 0.213 220 A C 2.052 179.687 177.584 0.085 0.000 1.192 220 A CA 0.970 53.074 52.037 0.112 0.000 0.619 220 A CB -0.899 18.187 19.000 0.142 0.000 0.837 220 A HN 0.348 nan 8.150 nan 0.000 0.446 221 L N 0.798 122.041 121.223 0.034 0.000 2.089 221 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 221 L C 1.737 178.672 176.870 0.109 0.000 1.079 221 L CA 2.926 57.793 54.840 0.045 0.000 0.758 221 L CB -0.935 41.135 42.059 0.019 0.000 0.891 221 L HN 0.506 nan 8.230 nan 0.000 0.433 222 D N -0.818 119.674 120.400 0.155 0.000 2.084 222 D HA -0.198 4.441 4.640 -0.000 0.000 0.194 222 D C 2.257 178.719 176.300 0.271 0.000 0.990 222 D CA 1.576 55.704 54.000 0.214 0.000 0.826 222 D CB -0.022 40.922 40.800 0.240 0.000 0.971 222 D HN 0.368 nan 8.370 nan 0.000 0.453 223 R N 0.323 120.949 120.500 0.210 0.000 2.117 223 R HA -0.128 4.211 4.340 -0.000 0.000 0.243 223 R C 2.373 178.783 176.300 0.184 0.000 1.143 223 R CA 1.250 57.461 56.100 0.185 0.000 0.968 223 R CB -0.470 29.903 30.300 0.122 0.000 0.863 223 R HN 0.175 nan 8.270 nan 0.000 0.444 224 A N 1.675 124.583 122.820 0.145 0.000 1.858 224 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 224 A C 2.260 179.939 177.584 0.158 0.000 1.190 224 A CA 1.223 53.334 52.037 0.122 0.000 0.617 224 A CB -0.651 18.395 19.000 0.076 0.000 0.827 224 A HN 0.181 nan 8.150 nan 0.000 0.443 225 L N -1.574 119.738 121.223 0.148 0.000 2.042 225 L HA -0.255 4.084 4.340 -0.000 0.000 0.210 225 L C 2.555 179.486 176.870 0.101 0.000 1.076 225 L CA 1.851 56.774 54.840 0.138 0.000 0.749 225 L CB -0.754 41.337 42.059 0.053 0.000 0.893 225 L HN 0.505 nan 8.230 nan 0.000 0.432 226 H N -0.893 118.243 119.070 0.110 0.000 2.457 226 H HA -0.074 4.482 4.556 -0.000 0.000 0.294 226 H C 2.160 177.539 175.328 0.083 0.000 1.064 226 H CA 1.162 57.260 56.048 0.084 0.000 1.330 226 H CB -0.092 29.717 29.762 0.079 0.000 1.395 226 H HN 0.321 nan 8.280 nan 0.000 0.541 227 G N -0.546 108.383 108.800 0.214 0.000 2.404 227 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.213 227 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.213 227 G C 1.475 176.481 174.900 0.177 0.000 1.189 227 G CA 0.525 45.722 45.100 0.163 0.000 0.796 227 G HN 0.419 nan 8.290 nan 0.000 0.532 228 Y N 1.441 121.785 120.300 0.073 0.000 2.193 228 Y HA -0.210 4.340 4.550 -0.000 0.000 0.285 228 Y C 2.812 178.827 175.900 0.193 0.000 1.166 228 Y CA 2.018 60.169 58.100 0.086 0.000 1.181 228 Y CB -0.467 38.044 38.460 0.084 0.000 0.976 228 Y HN 0.296 nan 8.280 nan 0.000 0.520 229 Q N 0.851 120.665 119.800 0.024 0.000 2.181 229 Q HA -0.177 4.163 4.340 -0.000 0.000 0.205 229 Q C 1.797 177.806 176.000 0.016 0.000 0.980 229 Q CA 1.984 57.721 55.803 -0.109 0.000 0.862 229 Q CB -0.197 28.461 28.738 -0.133 0.000 0.905 229 Q HN 0.502 nan 8.270 nan 0.000 0.429 230 K N -0.612 119.816 120.400 0.048 0.000 2.418 230 K HA 0.091 4.411 4.320 -0.000 0.000 0.195 230 K C 0.301 176.906 176.600 0.007 0.000 1.035 230 K CA -0.136 56.170 56.287 0.032 0.000 1.003 230 K CB 0.092 32.614 32.500 0.036 0.000 0.793 230 K HN 0.219 nan 8.250 nan 0.000 0.494 231 L N 0.261 121.454 121.223 -0.050 0.000 2.456 231 L HA -0.074 4.266 4.340 -0.000 0.000 0.266 231 L C 1.797 178.545 176.870 -0.203 0.000 1.258 231 L CA 0.113 54.841 54.840 -0.188 0.000 0.823 231 L CB 0.273 42.122 42.059 -0.350 0.000 1.100 231 L HN 0.042 nan 8.230 nan 0.000 0.531 232 S N -0.162 115.423 115.700 -0.192 0.000 2.478 232 S HA 0.086 4.556 4.470 -0.000 0.000 0.222 232 S C 0.002 174.509 174.600 -0.154 0.000 1.008 232 S CA 0.024 58.152 58.200 -0.119 0.000 0.928 232 S CB 0.091 63.242 63.200 -0.081 0.000 0.781 232 S HN 0.417 nan 8.310 nan 0.000 0.518 233 V N 0.638 120.361 119.914 -0.319 0.000 2.733 233 V HA 0.652 4.772 4.120 -0.000 0.000 0.306 233 V C -1.822 174.002 176.094 -0.450 0.000 1.084 233 V CA -0.954 61.194 62.300 -0.252 0.000 0.905 233 V CB 1.211 32.950 31.823 -0.141 0.000 1.010 233 V HN 0.290 nan 8.190 nan 0.000 0.424 234 H N 5.107 124.124 119.070 -0.089 0.000 2.736 234 H HA 0.541 5.097 4.556 -0.000 0.000 0.271 234 H C -2.656 172.685 175.328 0.020 0.000 1.184 234 H CA -1.750 54.293 56.048 -0.009 0.000 1.378 234 H CB 1.235 30.872 29.762 -0.208 0.000 1.428 234 H HN 0.632 nan 8.280 nan 0.000 0.500 235 P HA -0.111 nan 4.420 nan 0.000 0.261 235 P C -0.195 177.000 177.300 -0.175 0.000 1.183 235 P CA 0.313 63.237 63.100 -0.292 0.000 0.761 235 P CB 0.452 31.858 31.700 -0.490 0.000 0.785 236 F N -0.044 119.965 119.950 0.099 0.000 2.748 236 F HA -0.237 4.290 4.527 -0.000 0.000 0.370 236 F C 1.925 177.863 175.800 0.229 0.000 0.620 236 F CA 1.191 59.265 58.000 0.124 0.000 1.233 236 F CB -2.132 36.877 39.000 0.015 0.000 1.708 236 F HN 0.355 nan 8.300 nan 0.000 0.298 237 R N 1.432 122.115 120.500 0.306 0.000 2.092 237 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 237 R C 2.338 178.724 176.300 0.144 0.000 1.119 237 R CA 1.824 58.058 56.100 0.222 0.000 0.970 237 R CB -0.279 30.089 30.300 0.113 0.000 0.864 237 R HN 0.490 nan 8.270 nan 0.000 0.440 238 R N 0.195 120.769 120.500 0.124 0.000 2.103 238 R HA -0.148 4.191 4.340 -0.000 0.000 0.242 238 R C 1.879 178.247 176.300 0.113 0.000 1.142 238 R CA 1.904 58.055 56.100 0.084 0.000 0.960 238 R CB -0.457 29.888 30.300 0.075 0.000 0.858 238 R HN 0.322 nan 8.270 nan 0.000 0.439 239 A N 0.186 123.130 122.820 0.207 0.000 2.067 239 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 239 A C 2.229 179.911 177.584 0.163 0.000 1.156 239 A CA 1.083 53.254 52.037 0.223 0.000 0.683 239 A CB -0.365 18.831 19.000 0.327 0.000 0.808 239 A HN 0.571 nan 8.150 nan 0.000 0.455 240 A N 0.214 123.115 122.820 0.136 0.000 1.930 240 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 240 A C 1.886 179.365 177.584 -0.175 0.000 1.176 240 A CA 1.304 53.206 52.037 -0.225 0.000 0.632 240 A CB -0.362 18.543 19.000 -0.158 0.000 0.819 240 A HN 0.597 nan 8.150 nan 0.000 0.445 241 E N 0.134 120.291 120.200 -0.071 0.000 2.017 241 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 241 E C 1.844 178.418 176.600 -0.043 0.000 0.997 241 E CA 1.363 57.721 56.400 -0.071 0.000 0.804 241 E CB -0.439 29.231 29.700 -0.051 0.000 0.757 241 E HN 0.652 nan 8.360 nan 0.000 0.448 242 I N 1.046 121.612 120.570 -0.007 0.000 2.399 242 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 242 I C 2.604 178.733 176.117 0.020 0.000 1.146 242 I CA 1.105 62.415 61.300 0.017 0.000 1.412 242 I CB -0.343 37.681 38.000 0.040 0.000 1.076 242 I HN 0.079 nan 8.210 nan 0.000 0.432 243 R N 0.607 121.097 120.500 -0.017 0.000 2.062 243 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 243 R C 2.539 178.855 176.300 0.026 0.000 1.128 243 R CA 1.377 57.467 56.100 -0.017 0.000 0.960 243 R CB -0.334 29.883 30.300 -0.138 0.000 0.855 243 R HN 0.360 nan 8.270 nan 0.000 0.432 244 A N 1.229 124.027 122.820 -0.037 0.000 1.902 244 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 244 A C 2.035 179.691 177.584 0.120 0.000 1.181 244 A CA 1.081 53.121 52.037 0.006 0.000 0.623 244 A CB -0.504 18.441 19.000 -0.091 0.000 0.818 244 A HN 0.236 nan 8.150 nan 0.000 0.443 245 L N 0.373 121.636 121.223 0.066 0.000 1.994 245 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 245 L C 1.793 178.735 176.870 0.120 0.000 1.071 245 L CA 2.606 57.494 54.840 0.079 0.000 0.745 245 L CB -0.828 41.252 42.059 0.035 0.000 0.892 245 L HN 0.389 nan 8.230 nan 0.000 0.431 246 D N -1.200 119.264 120.400 0.107 0.000 2.106 246 D HA -0.291 4.349 4.640 -0.000 0.000 0.191 246 D C 1.845 178.219 176.300 0.124 0.000 0.997 246 D CA 1.778 55.837 54.000 0.099 0.000 0.834 246 D CB -0.634 40.218 40.800 0.087 0.000 0.956 246 D HN 0.570 nan 8.370 nan 0.000 0.448 247 W N 1.753 123.063 121.300 0.016 0.000 2.304 247 W HA -0.209 4.451 4.660 -0.000 0.000 0.315 247 W C 2.279 178.853 176.519 0.092 0.000 1.233 247 W CA 1.469 58.829 57.345 0.025 0.000 1.261 247 W CB -0.453 29.001 29.460 -0.010 0.000 1.150 247 W HN -0.059 nan 8.180 nan 0.000 0.494 248 L N -0.458 120.955 121.223 0.316 0.000 2.027 248 L HA -0.222 4.117 4.340 -0.000 0.000 0.206 248 L C 2.513 179.608 176.870 0.373 0.000 1.074 248 L CA 1.126 56.206 54.840 0.401 0.000 0.745 248 L CB -1.158 41.134 42.059 0.389 0.000 0.898 248 L HN 0.013 nan 8.230 nan 0.000 0.433 249 L N -0.210 121.151 121.223 0.229 0.000 2.127 249 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 249 L C 2.535 179.406 176.870 0.002 0.000 1.089 249 L CA 1.348 56.272 54.840 0.140 0.000 0.757 249 L CB -0.499 41.614 42.059 0.090 0.000 0.899 249 L HN 0.338 nan 8.230 nan 0.000 0.434 250 E N -0.115 120.028 120.200 -0.095 0.000 2.150 250 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 250 E C 1.790 178.199 176.600 -0.318 0.000 0.985 250 E CA 0.788 57.059 56.400 -0.216 0.000 0.814 250 E CB 0.027 29.538 29.700 -0.314 0.000 0.752 250 E HN 0.423 nan 8.360 nan 0.000 0.466 251 R N 0.890 121.172 120.500 -0.364 0.000 2.427 251 R HA 0.089 4.429 4.340 -0.000 0.000 0.262 251 R C 0.299 176.504 176.300 -0.159 0.000 0.943 251 R CA -0.166 55.761 56.100 -0.288 0.000 1.081 251 R CB 0.288 30.328 30.300 -0.434 0.000 1.166 251 R HN 0.079 nan 8.270 nan 0.000 0.534 252 Q N 1.479 121.024 119.800 -0.425 0.000 2.244 252 Q HA 0.158 4.498 4.340 -0.000 0.000 0.278 252 Q C -0.378 175.316 176.000 -0.510 0.000 1.093 252 Q CA -0.291 54.931 55.803 -0.969 0.000 0.916 252 Q CB 0.769 28.897 28.738 -1.016 0.000 1.159 252 Q HN 0.252 nan 8.270 nan 0.000 0.384 253 A N 3.612 126.140 122.820 -0.487 0.000 2.429 253 A HA 0.247 4.566 4.320 -0.000 0.000 0.242 253 A C 1.245 178.653 177.584 -0.295 0.000 1.088 253 A CA 0.281 52.138 52.037 -0.300 0.000 0.784 253 A CB -0.039 18.830 19.000 -0.218 0.000 1.038 253 A HN 1.057 nan 8.150 nan 0.000 0.501 254 G N -0.008 108.657 108.800 -0.225 0.000 2.450 254 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.220 254 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.220 254 G C 0.684 175.498 174.900 -0.143 0.000 1.130 254 G CA 1.430 46.424 45.100 -0.177 0.000 0.760 254 G HN 0.926 nan 8.290 nan 0.000 0.557 255 D N -1.314 119.006 120.400 -0.133 0.000 2.349 255 D HA 0.288 4.928 4.640 -0.000 0.000 0.224 255 D C 1.672 177.901 176.300 -0.118 0.000 1.029 255 D CA 0.736 54.695 54.000 -0.069 0.000 0.879 255 D CB -0.307 40.521 40.800 0.047 0.000 0.906 255 D HN 0.475 nan 8.370 nan 0.000 0.528 256 G N -0.372 108.275 108.800 -0.255 0.000 2.176 256 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.232 256 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.232 256 G C 0.398 174.944 174.900 -0.591 0.000 0.986 256 G CA 0.290 45.221 45.100 -0.281 0.000 0.643 256 G HN 0.830 nan 8.290 nan 0.000 0.522 257 S N -0.849 114.283 115.700 -0.946 0.000 2.745 257 S HA 0.760 5.230 4.470 -0.000 0.000 0.292 257 S C -0.243 173.936 174.600 -0.701 0.000 1.133 257 S CA -0.780 56.478 58.200 -1.571 0.000 0.998 257 S CB 1.590 63.598 63.200 -1.988 0.000 1.087 257 S HN 0.497 nan 8.310 nan 0.000 0.551 258 W N 0.492 121.511 121.300 -0.467 0.000 2.336 258 W HA 0.477 5.137 4.660 -0.000 0.000 0.315 258 W C 0.945 177.471 176.519 0.011 0.000 1.016 258 W CA -0.019 57.280 57.345 -0.077 0.000 1.318 258 W CB 1.035 30.534 29.460 0.066 0.000 1.247 258 W HN 1.306 nan 8.180 nan 0.000 0.414 259 G N 1.740 110.665 108.800 0.209 0.000 2.234 259 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 259 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 259 G C 0.954 175.944 174.900 0.150 0.000 0.987 259 G CA 0.367 45.531 45.100 0.107 0.000 0.625 259 G HN 1.513 nan 8.290 nan 0.000 0.532 260 G N -0.504 108.382 108.800 0.143 0.000 2.147 260 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.244 260 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.244 260 G C 0.364 175.485 174.900 0.369 0.000 1.005 260 G CA 0.986 46.229 45.100 0.240 0.000 0.713 260 G HN 2.205 nan 8.290 nan 0.000 0.515 261 I N -4.484 116.289 120.570 0.338 0.000 2.785 261 I HA 0.616 4.785 4.170 -0.000 0.000 0.302 261 I C 1.099 177.480 176.117 0.441 0.000 1.069 261 I CA -1.207 60.314 61.300 0.368 0.000 1.045 261 I CB 1.700 39.861 38.000 0.268 0.000 1.236 261 I HN -0.057 nan 8.210 nan 0.000 0.429 262 Q N 3.057 123.070 119.800 0.355 0.000 2.061 262 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 262 Q C -1.046 174.889 176.000 -0.108 0.000 0.984 262 Q CA 2.365 58.273 55.803 0.176 0.000 0.846 262 Q CB -1.232 27.491 28.738 -0.025 0.000 0.902 262 Q HN 0.666 nan 8.270 nan 0.000 0.421 263 P HA -0.152 nan 4.420 nan 0.000 0.202 263 P C -1.575 175.712 177.300 -0.021 0.000 1.121 263 P CA 2.462 65.453 63.100 -0.181 0.000 0.939 263 P CB -1.331 30.401 31.700 0.052 0.000 0.761 264 P HA -0.223 nan 4.420 nan 0.000 0.217 264 P C 1.490 178.955 177.300 0.275 0.000 1.148 264 P CA 1.494 64.796 63.100 0.336 0.000 0.828 264 P CB -0.528 31.357 31.700 0.309 0.000 0.783 265 W N 0.988 122.392 121.300 0.173 0.000 2.332 265 W HA -0.193 4.467 4.660 -0.000 0.000 0.321 265 W C 2.064 178.675 176.519 0.153 0.000 1.219 265 W CA 1.012 58.512 57.345 0.259 0.000 1.277 265 W CB -1.676 28.004 29.460 0.367 0.000 1.161 265 W HN -0.160 nan 8.180 nan 0.000 0.476 266 F N -0.260 119.660 119.950 -0.050 0.000 2.069 266 F HA -0.237 4.289 4.527 -0.000 0.000 0.298 266 F C 2.364 178.070 175.800 -0.156 0.000 1.113 266 F CA 1.932 59.791 58.000 -0.236 0.000 1.214 266 F CB -1.766 37.035 39.000 -0.332 0.000 0.978 266 F HN -0.143 nan 8.300 nan 0.000 0.474 267 Y N -0.017 120.397 120.300 0.191 0.000 2.165 267 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 267 Y C 2.560 178.412 175.900 -0.081 0.000 1.155 267 Y CA 0.641 58.748 58.100 0.011 0.000 1.164 267 Y CB -1.635 36.825 38.460 -0.000 0.000 0.978 267 Y HN 0.037 nan 8.280 nan 0.000 0.513 268 A N 0.246 123.031 122.820 -0.059 0.000 1.908 268 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 268 A C 2.345 179.777 177.584 -0.253 0.000 1.181 268 A CA 1.825 53.613 52.037 -0.415 0.000 0.627 268 A CB -1.189 17.022 19.000 -1.315 0.000 0.818 268 A HN 0.481 nan 8.150 nan 0.000 0.445 269 L N -0.625 120.535 121.223 -0.106 0.000 2.046 269 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 269 L C 2.497 179.438 176.870 0.118 0.000 1.077 269 L CA 1.329 56.193 54.840 0.040 0.000 0.747 269 L CB -0.496 41.549 42.059 -0.024 0.000 0.896 269 L HN 0.398 nan 8.230 nan 0.000 0.432 270 I N -0.212 120.394 120.570 0.059 0.000 2.226 270 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 270 I C 2.812 178.972 176.117 0.073 0.000 1.100 270 I CA 1.137 62.471 61.300 0.058 0.000 1.374 270 I CB -0.557 37.476 38.000 0.056 0.000 1.057 270 I HN 0.214 nan 8.210 nan 0.000 0.413 271 A N 1.120 123.965 122.820 0.042 0.000 1.908 271 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 271 A C 2.317 179.921 177.584 0.033 0.000 1.181 271 A CA 1.524 53.570 52.037 0.014 0.000 0.627 271 A CB -0.827 18.153 19.000 -0.034 0.000 0.818 271 A HN 0.391 nan 8.150 nan 0.000 0.445 272 L N -0.901 120.369 121.223 0.079 0.000 2.056 272 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 272 L C 2.600 179.507 176.870 0.062 0.000 1.078 272 L CA 1.778 56.689 54.840 0.119 0.000 0.749 272 L CB -0.389 41.852 42.059 0.302 0.000 0.901 272 L HN 0.437 nan 8.230 nan 0.000 0.433 273 K N 0.930 121.384 120.400 0.091 0.000 2.057 273 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 273 K C 1.881 178.477 176.600 -0.006 0.000 1.049 273 K CA 1.556 57.819 56.287 -0.040 0.000 0.931 273 K CB -0.223 32.273 32.500 -0.007 0.000 0.714 273 K HN 0.059 nan 8.250 nan 0.000 0.440 274 I N 1.011 121.615 120.570 0.057 0.000 2.361 274 I HA -0.191 3.978 4.170 -0.000 0.000 0.251 274 I C 1.386 177.508 176.117 0.009 0.000 1.133 274 I CA 1.222 62.564 61.300 0.069 0.000 1.413 274 I CB -0.724 37.310 38.000 0.057 0.000 1.073 274 I HN 0.194 nan 8.210 nan 0.000 0.424 275 L N 0.892 122.110 121.223 -0.008 0.000 2.783 275 L HA 0.127 4.467 4.340 -0.000 0.000 0.236 275 L C -0.185 176.666 176.870 -0.031 0.000 1.225 275 L CA -0.156 54.672 54.840 -0.020 0.000 1.026 275 L CB -0.531 41.519 42.059 -0.016 0.000 1.314 275 L HN 0.173 nan 8.230 nan 0.000 0.489 276 D N 1.109 121.480 120.400 -0.049 0.000 2.697 276 D HA -0.233 4.407 4.640 -0.000 0.000 0.235 276 D C 0.526 176.776 176.300 -0.084 0.000 1.167 276 D CA 1.109 55.065 54.000 -0.074 0.000 0.656 276 D CB -0.485 40.287 40.800 -0.047 0.000 1.025 276 D HN 0.462 nan 8.370 nan 0.000 0.419 277 M N -0.504 119.021 119.600 -0.124 0.000 2.785 277 M HA 0.018 4.498 4.480 -0.000 0.000 0.374 277 M C 1.539 177.690 176.300 -0.250 0.000 1.221 277 M CA -0.051 55.202 55.300 -0.079 0.000 0.912 277 M CB 0.501 33.097 32.600 -0.006 0.000 1.355 277 M HN 0.009 nan 8.290 nan 0.000 0.513 278 T N -2.849 111.398 114.554 -0.512 0.000 3.160 278 T HA 0.043 4.392 4.350 -0.000 0.000 0.257 278 T C 1.406 175.866 174.700 -0.399 0.000 1.147 278 T CA 0.638 62.136 62.100 -1.003 0.000 1.064 278 T CB 0.093 68.453 68.868 -0.847 0.000 0.949 278 T HN 0.334 nan 8.240 nan 0.000 0.526 279 Q N -0.230 119.481 119.800 -0.148 0.000 2.350 279 Q HA 0.131 4.470 4.340 -0.000 0.000 0.225 279 Q C 0.339 176.383 176.000 0.073 0.000 0.878 279 Q CA 0.010 55.799 55.803 -0.023 0.000 0.935 279 Q CB 0.204 28.925 28.738 -0.029 0.000 1.099 279 Q HN 0.666 nan 8.270 nan 0.000 0.527 280 H N 1.952 121.042 119.070 0.032 0.000 2.652 280 H HA 0.056 4.612 4.556 -0.000 0.000 0.349 280 H C -1.762 173.669 175.328 0.172 0.000 1.099 280 H CA -1.485 54.621 56.048 0.097 0.000 1.417 280 H CB 1.610 31.435 29.762 0.105 0.000 1.457 280 H HN -0.185 nan 8.280 nan 0.000 0.568 281 P HA -0.194 nan 4.420 nan 0.000 0.215 281 P C 1.197 178.714 177.300 0.362 0.000 1.163 281 P CA 2.521 65.711 63.100 0.151 0.000 0.894 281 P CB -0.060 31.616 31.700 -0.039 0.000 0.791 282 A N -1.236 121.947 122.820 0.606 0.000 1.903 282 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 282 A C 2.171 180.021 177.584 0.443 0.000 1.191 282 A CA 1.928 54.213 52.037 0.414 0.000 0.638 282 A CB -1.872 17.334 19.000 0.344 0.000 0.823 282 A HN 0.190 nan 8.150 nan 0.000 0.451 283 F N 0.938 121.100 119.950 0.354 0.000 2.051 283 F HA -0.171 4.356 4.527 -0.000 0.000 0.296 283 F C 2.057 178.051 175.800 0.322 0.000 1.122 283 F CA 1.654 59.845 58.000 0.319 0.000 1.201 283 F CB -0.223 38.903 39.000 0.209 0.000 0.978 283 F HN 0.160 nan 8.300 nan 0.000 0.472 284 I N 0.828 121.724 120.570 0.542 0.000 2.053 284 I HA -0.375 3.795 4.170 -0.000 0.000 0.236 284 I C 2.431 178.718 176.117 0.283 0.000 1.038 284 I CA 1.960 63.496 61.300 0.394 0.000 1.304 284 I CB -1.728 36.454 38.000 0.304 0.000 1.023 284 I HN 0.175 nan 8.210 nan 0.000 0.395 285 K N 1.413 121.949 120.400 0.226 0.000 2.059 285 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 285 K C 2.088 178.802 176.600 0.189 0.000 1.050 285 K CA 1.996 58.381 56.287 0.163 0.000 0.927 285 K CB -1.144 31.412 32.500 0.094 0.000 0.714 285 K HN 0.420 nan 8.250 nan 0.000 0.447 286 G N 0.360 109.295 108.800 0.226 0.000 2.440 286 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 286 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 286 G C 1.442 176.607 174.900 0.443 0.000 1.154 286 G CA 0.921 46.252 45.100 0.386 0.000 0.767 286 G HN 0.556 nan 8.290 nan 0.000 0.552 287 W N 2.280 123.564 121.300 -0.027 0.000 2.380 287 W HA -0.093 4.567 4.660 -0.000 0.000 0.317 287 W C 2.470 179.021 176.519 0.054 0.000 1.196 287 W CA 1.631 58.898 57.345 -0.130 0.000 1.307 287 W CB -0.201 29.074 29.460 -0.309 0.000 1.157 287 W HN 0.534 nan 8.180 nan 0.000 0.483 288 E N 0.056 120.292 120.200 0.061 0.000 2.333 288 E HA -0.083 4.266 4.350 -0.000 0.000 0.198 288 E C 2.176 178.815 176.600 0.065 0.000 1.007 288 E CA 1.276 57.665 56.400 -0.018 0.000 0.845 288 E CB -1.058 28.730 29.700 0.148 0.000 0.766 288 E HN 0.264 nan 8.360 nan 0.000 0.507 289 G N 2.075 111.001 108.800 0.210 0.000 2.422 289 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 289 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 289 G C 1.588 176.807 174.900 0.531 0.000 1.146 289 G CA 0.765 46.084 45.100 0.365 0.000 0.769 289 G HN 0.174 nan 8.290 nan 0.000 0.547 290 L N 0.319 121.761 121.223 0.364 0.000 2.010 290 L HA -0.207 4.133 4.340 -0.000 0.000 0.219 290 L C 2.946 180.013 176.870 0.327 0.000 1.077 290 L CA 1.590 56.519 54.840 0.149 0.000 0.773 290 L CB -0.439 41.438 42.059 -0.303 0.000 0.892 290 L HN 0.162 nan 8.230 nan 0.000 0.436 291 E N -0.141 120.169 120.200 0.184 0.000 2.169 291 E HA -0.289 4.061 4.350 -0.000 0.000 0.202 291 E C 2.075 178.839 176.600 0.273 0.000 1.016 291 E CA 1.375 57.908 56.400 0.221 0.000 0.817 291 E CB -0.554 29.221 29.700 0.123 0.000 0.736 291 E HN 0.336 nan 8.360 nan 0.000 0.462 292 L N 0.065 121.491 121.223 0.339 0.000 2.079 292 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 292 L C 1.839 178.870 176.870 0.269 0.000 1.081 292 L CA 1.663 56.697 54.840 0.323 0.000 0.752 292 L CB -0.555 41.712 42.059 0.348 0.000 0.896 292 L HN 0.072 nan 8.230 nan 0.000 0.433 293 Y N -0.371 119.974 120.300 0.075 0.000 2.546 293 Y HA 0.325 4.875 4.550 -0.000 0.000 0.287 293 Y C 1.701 177.282 175.900 -0.532 0.000 1.158 293 Y CA -0.202 57.752 58.100 -0.244 0.000 1.307 293 Y CB -1.010 37.105 38.460 -0.575 0.000 1.036 293 Y HN 0.162 nan 8.280 nan 0.000 0.532 294 G N 0.063 108.781 108.800 -0.138 0.000 2.539 294 G HA2 0.456 4.415 3.960 -0.000 0.000 0.258 294 G HA3 0.456 4.415 3.960 -0.000 0.000 0.258 294 G C -1.149 173.505 174.900 -0.410 0.000 1.202 294 G CA -0.198 44.700 45.100 -0.338 0.000 0.851 294 G HN -0.080 nan 8.290 nan 0.000 0.556 295 V N 1.434 120.899 119.914 -0.748 0.000 2.567 295 V HA 0.234 4.354 4.120 -0.000 0.000 0.298 295 V C -0.698 175.134 176.094 -0.436 0.000 1.047 295 V CA -1.011 60.990 62.300 -0.498 0.000 0.880 295 V CB 1.772 33.296 31.823 -0.499 0.000 1.009 295 V HN 0.710 nan 8.190 nan 0.000 0.429 296 E N 4.605 124.701 120.200 -0.172 0.000 2.217 296 E HA 0.347 4.697 4.350 -0.000 0.000 0.279 296 E C -0.569 175.920 176.600 -0.185 0.000 1.068 296 E CA -0.035 56.326 56.400 -0.065 0.000 0.882 296 E CB 1.422 31.123 29.700 0.002 0.000 1.039 296 E HN 0.504 nan 8.360 nan 0.000 0.418 297 L N 2.721 123.786 121.223 -0.264 0.000 2.350 297 L HA 0.069 4.409 4.340 -0.000 0.000 0.275 297 L C 1.514 178.181 176.870 -0.339 0.000 1.099 297 L CA -0.497 54.095 54.840 -0.414 0.000 0.808 297 L CB 0.758 42.340 42.059 -0.794 0.000 1.149 297 L HN 0.473 nan 8.230 nan 0.000 0.442 298 D N 0.399 120.649 120.400 -0.250 0.000 2.182 298 D HA -0.300 4.340 4.640 -0.000 0.000 0.201 298 D C 1.276 177.550 176.300 -0.043 0.000 0.986 298 D CA 1.390 55.327 54.000 -0.106 0.000 0.847 298 D CB -0.335 40.445 40.800 -0.034 0.000 0.942 298 D HN 0.612 nan 8.370 nan 0.000 0.467 299 Y N -1.287 119.014 120.300 0.001 0.000 2.471 299 Y HA 0.487 5.037 4.550 -0.000 0.000 0.321 299 Y C 1.627 177.551 175.900 0.039 0.000 1.195 299 Y CA -0.940 57.173 58.100 0.021 0.000 1.272 299 Y CB -0.500 37.972 38.460 0.019 0.000 1.097 299 Y HN 0.089 nan 8.280 nan 0.000 0.507 300 G N -0.764 108.043 108.800 0.012 0.000 2.179 300 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 300 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 300 G C 0.660 175.591 174.900 0.052 0.000 0.977 300 G CA -0.056 45.079 45.100 0.060 0.000 0.641 300 G HN 1.016 nan 8.290 nan 0.000 0.533 301 G N -1.360 107.353 108.800 -0.146 0.000 2.528 301 G HA2 0.498 4.458 3.960 -0.000 0.000 0.289 301 G HA3 0.498 4.458 3.960 -0.000 0.000 0.289 301 G C -0.784 174.100 174.900 -0.027 0.000 1.192 301 G CA -0.293 44.801 45.100 -0.010 0.000 0.921 301 G HN 0.900 nan 8.290 nan 0.000 0.512 302 W N 1.801 123.000 121.300 -0.169 0.000 2.968 302 W HA 0.607 5.267 4.660 -0.000 0.000 0.337 302 W C -0.320 175.936 176.519 -0.439 0.000 1.060 302 W CA -1.033 56.155 57.345 -0.262 0.000 1.240 302 W CB 1.520 30.870 29.460 -0.182 0.000 1.370 302 W HN 0.677 nan 8.180 nan 0.000 0.459 303 M N 4.862 123.797 119.600 -1.108 0.000 2.664 303 M HA 0.695 5.175 4.480 -0.000 0.000 0.314 303 M C -1.932 173.575 176.300 -1.321 0.000 1.200 303 M CA -0.843 53.741 55.300 -1.193 0.000 0.916 303 M CB 2.602 34.596 32.600 -1.010 0.000 1.717 303 M HN 0.413 nan 8.290 nan 0.000 0.470 304 F N 1.846 121.209 119.950 -0.978 0.000 2.449 304 F HA 0.432 4.959 4.527 -0.000 0.000 0.342 304 F C -0.498 175.141 175.800 -0.268 0.000 1.127 304 F CA -0.368 57.225 58.000 -0.679 0.000 0.975 304 F CB 1.661 40.407 39.000 -0.422 0.000 1.146 304 F HN 0.689 nan 8.300 nan 0.000 0.444 305 Q N 4.648 124.110 119.800 -0.564 0.000 2.337 305 Q HA 0.244 4.584 4.340 -0.000 0.000 0.270 305 Q C 0.968 176.992 176.000 0.039 0.000 1.002 305 Q CA 0.345 56.014 55.803 -0.222 0.000 0.888 305 Q CB 1.448 30.069 28.738 -0.194 0.000 1.222 305 Q HN 0.926 nan 8.270 nan 0.000 0.400 306 A N 2.468 125.406 122.820 0.196 0.000 2.015 306 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 306 A C 0.962 178.771 177.584 0.374 0.000 1.163 306 A CA 1.422 53.655 52.037 0.327 0.000 0.646 306 A CB 0.302 19.526 19.000 0.373 0.000 0.806 306 A HN 0.592 nan 8.150 nan 0.000 0.448 307 S N -2.384 113.523 115.700 0.346 0.000 2.636 307 S HA 0.542 5.012 4.470 -0.000 0.000 0.266 307 S C -1.432 173.327 174.600 0.265 0.000 1.147 307 S CA -0.235 58.236 58.200 0.451 0.000 0.815 307 S CB 0.505 63.978 63.200 0.456 0.000 1.119 307 S HN 0.833 nan 8.310 nan 0.000 0.470 308 I N 0.692 121.345 120.570 0.138 0.000 2.646 308 I HA 0.733 4.903 4.170 -0.000 0.000 0.299 308 I C 0.010 175.807 176.117 -0.533 0.000 1.036 308 I CA -0.737 60.519 61.300 -0.072 0.000 1.074 308 I CB 2.397 40.275 38.000 -0.203 0.000 1.258 308 I HN 0.580 nan 8.210 nan 0.000 0.430 309 S N 2.922 118.336 115.700 -0.478 0.000 2.525 309 S HA 0.395 4.864 4.470 -0.000 0.000 0.242 309 S C -1.602 172.741 174.600 -0.429 0.000 1.164 309 S CA -1.026 56.628 58.200 -0.910 0.000 1.154 309 S CB -0.415 62.604 63.200 -0.302 0.000 0.875 309 S HN 0.671 nan 8.310 nan 0.000 0.482 310 P HA -0.145 nan 4.420 nan 0.000 0.213 310 P C 1.602 178.778 177.300 -0.206 0.000 1.170 310 P CA 1.035 63.714 63.100 -0.701 0.000 0.902 310 P CB -0.102 30.482 31.700 -1.860 0.000 0.789 311 V N 0.098 119.931 119.914 -0.135 0.000 2.219 311 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 311 V C 2.576 178.804 176.094 0.222 0.000 1.053 311 V CA 2.352 64.757 62.300 0.175 0.000 1.009 311 V CB -1.724 30.189 31.823 0.150 0.000 0.636 311 V HN 0.221 nan 8.190 nan 0.000 0.445 312 W N 1.039 122.337 121.300 -0.003 0.000 2.289 312 W HA -0.327 4.333 4.660 -0.000 0.000 0.331 312 W C 2.455 179.006 176.519 0.054 0.000 1.283 312 W CA 2.208 59.616 57.345 0.104 0.000 1.252 312 W CB -0.337 29.322 29.460 0.330 0.000 1.153 312 W HN 0.376 nan 8.180 nan 0.000 0.467 313 D N -0.433 120.068 120.400 0.169 0.000 2.103 313 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 313 D C 1.975 178.241 176.300 -0.057 0.000 0.997 313 D CA 2.721 56.739 54.000 0.029 0.000 0.833 313 D CB -1.014 39.911 40.800 0.209 0.000 0.961 313 D HN 0.151 nan 8.370 nan 0.000 0.447 314 T N 0.532 115.156 114.554 0.116 0.000 2.624 314 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 314 T C 1.939 176.617 174.700 -0.036 0.000 1.041 314 T CA 1.861 64.084 62.100 0.206 0.000 1.159 314 T CB -0.893 68.103 68.868 0.214 0.000 0.863 314 T HN 0.317 nan 8.240 nan 0.000 0.434 315 G N 1.433 110.177 108.800 -0.093 0.000 2.545 315 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 315 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 315 G C 1.517 176.127 174.900 -0.483 0.000 1.218 315 G CA 0.893 45.840 45.100 -0.255 0.000 0.787 315 G HN 0.462 nan 8.290 nan 0.000 0.571 316 L N 0.783 121.614 121.223 -0.652 0.000 2.042 316 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 316 L C 3.498 179.935 176.870 -0.721 0.000 1.076 316 L CA 1.126 55.480 54.840 -0.810 0.000 0.749 316 L CB -0.583 40.864 42.059 -1.020 0.000 0.893 316 L HN 0.343 nan 8.230 nan 0.000 0.432 317 A N -0.133 122.264 122.820 -0.705 0.000 1.903 317 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 317 A C 2.323 179.409 177.584 -0.830 0.000 1.191 317 A CA 2.289 53.755 52.037 -0.952 0.000 0.638 317 A CB -0.970 17.113 19.000 -1.529 0.000 0.823 317 A HN 0.219 nan 8.150 nan 0.000 0.451 318 V N 0.078 119.634 119.914 -0.598 0.000 2.223 318 V HA -0.296 3.824 4.120 -0.000 0.000 0.244 318 V C 2.559 178.401 176.094 -0.421 0.000 1.045 318 V CA 2.066 64.127 62.300 -0.398 0.000 1.000 318 V CB -1.006 30.671 31.823 -0.242 0.000 0.635 318 V HN 0.601 nan 8.190 nan 0.000 0.445 319 L N 0.065 120.974 121.223 -0.523 0.000 2.010 319 L HA -0.318 4.021 4.340 -0.000 0.000 0.219 319 L C 2.749 179.363 176.870 -0.428 0.000 1.077 319 L CA 2.013 56.506 54.840 -0.579 0.000 0.773 319 L CB -1.001 40.531 42.059 -0.878 0.000 0.892 319 L HN 0.429 nan 8.230 nan 0.000 0.436 320 A N 0.200 122.749 122.820 -0.453 0.000 1.849 320 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 320 A C 2.226 179.656 177.584 -0.257 0.000 1.202 320 A CA 1.966 53.797 52.037 -0.344 0.000 0.629 320 A CB -1.025 17.734 19.000 -0.401 0.000 0.834 320 A HN 0.373 nan 8.150 nan 0.000 0.447 321 L N -1.101 119.944 121.223 -0.297 0.000 2.089 321 L HA -0.264 4.075 4.340 -0.000 0.000 0.213 321 L C 2.956 179.741 176.870 -0.143 0.000 1.079 321 L CA 1.415 56.129 54.840 -0.210 0.000 0.758 321 L CB -0.500 41.410 42.059 -0.250 0.000 0.891 321 L HN 0.340 nan 8.230 nan 0.000 0.433 322 R N -0.139 120.263 120.500 -0.164 0.000 2.062 322 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 322 R C 2.322 178.577 176.300 -0.076 0.000 1.136 322 R CA 1.499 57.535 56.100 -0.106 0.000 0.948 322 R CB -0.965 29.257 30.300 -0.129 0.000 0.845 322 R HN 0.346 nan 8.270 nan 0.000 0.430 323 A N 1.174 123.935 122.820 -0.098 0.000 2.024 323 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 323 A C 2.317 179.878 177.584 -0.038 0.000 1.164 323 A CA 1.732 53.736 52.037 -0.055 0.000 0.643 323 A CB -0.431 18.532 19.000 -0.060 0.000 0.806 323 A HN 0.369 nan 8.150 nan 0.000 0.451 324 A N -1.924 120.866 122.820 -0.050 0.000 1.873 324 A HA 0.338 4.657 4.320 -0.000 0.000 0.215 324 A C 2.005 179.591 177.584 0.004 0.000 1.186 324 A CA 2.230 54.255 52.037 -0.019 0.000 0.616 324 A CB -0.545 18.439 19.000 -0.026 0.000 0.823 324 A HN 1.451 nan 8.150 nan 0.000 0.442 325 G N -2.352 106.449 108.800 0.000 0.000 3.859 325 G HA2 0.075 4.034 3.960 -0.000 0.000 0.198 325 G HA3 0.075 4.034 3.960 -0.000 0.000 0.198 325 G C 0.195 175.117 174.900 0.036 0.000 0.972 325 G CA -0.165 44.949 45.100 0.023 0.000 0.882 325 G HN 0.288 nan 8.290 nan 0.000 0.364 326 L N 2.455 123.705 121.223 0.045 0.000 2.613 326 L HA 0.109 4.449 4.340 -0.000 0.000 0.304 326 L C -1.812 175.114 176.870 0.093 0.000 1.266 326 L CA -0.610 54.292 54.840 0.104 0.000 0.868 326 L CB -0.064 42.046 42.059 0.085 0.000 1.111 326 L HN 0.098 nan 8.230 nan 0.000 0.515 327 P HA -0.007 nan 4.420 nan 0.000 0.268 327 P C 0.050 177.400 177.300 0.084 0.000 1.204 327 P CA 0.015 63.162 63.100 0.079 0.000 0.768 327 P CB 0.860 32.589 31.700 0.048 0.000 0.842 328 A N 3.071 125.922 122.820 0.050 0.000 2.186 328 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 328 A C 1.062 178.681 177.584 0.058 0.000 1.159 328 A CA 1.950 54.012 52.037 0.043 0.000 0.680 328 A CB -1.084 17.935 19.000 0.032 0.000 0.787 328 A HN 0.695 nan 8.150 nan 0.000 0.467 329 D N -3.177 117.262 120.400 0.065 0.000 2.571 329 D HA 0.053 4.693 4.640 -0.000 0.000 0.239 329 D C 0.372 176.724 176.300 0.086 0.000 1.267 329 D CA -0.584 53.455 54.000 0.064 0.000 0.823 329 D CB -0.568 40.254 40.800 0.036 0.000 1.056 329 D HN 0.311 nan 8.370 nan 0.000 0.494 330 H N 2.329 121.409 119.070 0.017 0.000 3.125 330 H HA -0.062 4.494 4.556 -0.000 0.000 0.310 330 H C 1.155 176.494 175.328 0.019 0.000 0.980 330 H CA 0.918 56.977 56.048 0.017 0.000 1.422 330 H CB 0.909 30.683 29.762 0.020 0.000 1.432 330 H HN 0.312 nan 8.280 nan 0.000 0.577 331 D N 4.428 124.930 120.400 0.169 0.000 2.228 331 D HA -0.226 4.414 4.640 -0.000 0.000 0.203 331 D C 1.779 178.202 176.300 0.205 0.000 0.988 331 D CA 0.937 55.026 54.000 0.148 0.000 0.864 331 D CB 0.099 40.930 40.800 0.051 0.000 0.928 331 D HN 0.361 nan 8.370 nan 0.000 0.469 332 R N 0.134 120.869 120.500 0.391 0.000 2.100 332 R HA 0.220 4.559 4.340 -0.000 0.000 0.220 332 R C 2.492 178.816 176.300 0.040 0.000 1.091 332 R CA 0.489 56.647 56.100 0.096 0.000 0.986 332 R CB -0.522 29.731 30.300 -0.078 0.000 0.888 332 R HN 0.220 nan 8.270 nan 0.000 0.444 333 L N -0.218 121.044 121.223 0.066 0.000 2.291 333 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 333 L C 1.873 178.801 176.870 0.097 0.000 1.120 333 L CA 0.429 55.319 54.840 0.084 0.000 0.799 333 L CB -0.145 41.949 42.059 0.058 0.000 0.925 333 L HN 0.023 nan 8.230 nan 0.000 0.446 334 V N -0.566 119.408 119.914 0.101 0.000 2.427 334 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 334 V C 2.534 178.682 176.094 0.090 0.000 1.051 334 V CA 1.321 63.675 62.300 0.091 0.000 1.048 334 V CB -0.490 31.382 31.823 0.082 0.000 0.666 334 V HN 0.362 nan 8.190 nan 0.000 0.456 335 K N 0.606 121.045 120.400 0.065 0.000 2.074 335 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 335 K C 2.289 178.949 176.600 0.101 0.000 1.048 335 K CA 1.753 58.069 56.287 0.049 0.000 0.926 335 K CB -0.740 31.736 32.500 -0.040 0.000 0.713 335 K HN 0.496 nan 8.250 nan 0.000 0.444 336 A N 0.953 123.827 122.820 0.089 0.000 1.855 336 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 336 A C 2.520 180.253 177.584 0.247 0.000 1.191 336 A CA 2.107 54.248 52.037 0.174 0.000 0.613 336 A CB -1.278 17.857 19.000 0.224 0.000 0.829 336 A HN 0.372 nan 8.150 nan 0.000 0.442 337 G N -0.189 108.711 108.800 0.167 0.000 2.529 337 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 337 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 337 G C 1.406 176.405 174.900 0.164 0.000 1.177 337 G CA 1.259 46.445 45.100 0.143 0.000 0.773 337 G HN 0.503 nan 8.290 nan 0.000 0.573 338 E N -0.246 120.051 120.200 0.161 0.000 2.038 338 E HA -0.167 4.182 4.350 -0.000 0.000 0.195 338 E C 2.026 178.737 176.600 0.186 0.000 1.000 338 E CA 1.111 57.599 56.400 0.146 0.000 0.803 338 E CB -0.522 29.254 29.700 0.128 0.000 0.750 338 E HN 0.668 nan 8.360 nan 0.000 0.448 339 W N 1.890 123.225 121.300 0.059 0.000 2.317 339 W HA -0.227 4.433 4.660 -0.000 0.000 0.318 339 W C 2.222 178.789 176.519 0.080 0.000 1.227 339 W CA 1.868 59.255 57.345 0.070 0.000 1.269 339 W CB -0.608 28.912 29.460 0.099 0.000 1.155 339 W HN -0.005 nan 8.180 nan 0.000 0.484 340 L N 0.044 121.467 121.223 0.334 0.000 2.043 340 L HA -0.312 4.028 4.340 -0.000 0.000 0.212 340 L C 2.572 179.502 176.870 0.100 0.000 1.075 340 L CA 1.631 56.566 54.840 0.158 0.000 0.752 340 L CB -1.164 41.008 42.059 0.188 0.000 0.891 340 L HN 0.109 nan 8.230 nan 0.000 0.432 341 L N -0.513 120.778 121.223 0.113 0.000 2.079 341 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 341 L C 2.041 178.918 176.870 0.010 0.000 1.081 341 L CA 1.184 56.093 54.840 0.114 0.000 0.752 341 L CB -0.679 41.434 42.059 0.090 0.000 0.896 341 L HN 0.348 nan 8.230 nan 0.000 0.433 342 D N -0.434 119.912 120.400 -0.090 0.000 2.348 342 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 342 D C 2.180 178.332 176.300 -0.247 0.000 0.970 342 D CA 0.552 54.452 54.000 -0.168 0.000 0.889 342 D CB 0.001 40.679 40.800 -0.203 0.000 0.912 342 D HN 0.244 nan 8.370 nan 0.000 0.524 343 R N 0.558 120.899 120.500 -0.264 0.000 2.210 343 R HA 0.040 4.380 4.340 -0.000 0.000 0.203 343 R C 1.028 177.192 176.300 -0.226 0.000 1.010 343 R CA -0.053 55.884 56.100 -0.271 0.000 1.008 343 R CB -0.418 29.695 30.300 -0.311 0.000 0.923 343 R HN 0.342 nan 8.270 nan 0.000 0.469 344 Q N 1.524 121.157 119.800 -0.278 0.000 2.283 344 Q HA -0.053 4.287 4.340 -0.000 0.000 0.301 344 Q C -0.455 175.221 176.000 -0.541 0.000 1.063 344 Q CA 0.266 55.582 55.803 -0.811 0.000 0.952 344 Q CB 0.491 28.839 28.738 -0.651 0.000 1.166 344 Q HN -0.037 nan 8.270 nan 0.000 0.381 345 I N 4.383 124.586 120.570 -0.612 0.000 2.441 345 I HA 0.033 4.202 4.170 -0.000 0.000 0.287 345 I C 1.229 177.163 176.117 -0.306 0.000 1.049 345 I CA 0.281 61.347 61.300 -0.389 0.000 1.381 345 I CB 0.705 38.487 38.000 -0.362 0.000 1.409 345 I HN 0.849 nan 8.210 nan 0.000 0.523 346 T N 2.263 116.703 114.554 -0.189 0.000 3.132 346 T HA 0.340 4.690 4.350 -0.000 0.000 0.274 346 T C 0.050 174.731 174.700 -0.032 0.000 1.011 346 T CA -0.281 61.756 62.100 -0.105 0.000 0.899 346 T CB -0.425 68.389 68.868 -0.090 0.000 1.089 346 T HN 0.389 nan 8.240 nan 0.000 0.543 347 V N -1.985 117.914 119.914 -0.024 0.000 2.864 347 V HA 0.795 4.914 4.120 -0.000 0.000 0.314 347 V C -3.140 172.997 176.094 0.070 0.000 1.073 347 V CA -3.208 59.101 62.300 0.016 0.000 0.956 347 V CB 1.384 33.199 31.823 -0.015 0.000 1.023 347 V HN -0.112 nan 8.190 nan 0.000 0.435 348 P HA 0.394 nan 4.420 nan 0.000 0.265 348 P C 0.192 177.325 177.300 -0.279 0.000 1.187 348 P CA 0.825 63.757 63.100 -0.281 0.000 0.766 348 P CB 0.545 32.065 31.700 -0.301 0.000 0.820 349 G N 0.946 109.311 108.800 -0.726 0.000 3.042 349 G HA2 0.195 4.155 3.960 -0.000 0.000 0.278 349 G HA3 0.195 4.155 3.960 -0.000 0.000 0.278 349 G C 0.207 174.772 174.900 -0.559 0.000 1.371 349 G CA -0.444 44.414 45.100 -0.403 0.000 1.009 349 G HN 0.254 nan 8.290 nan 0.000 0.523 350 D N -0.131 120.134 120.400 -0.225 0.000 2.228 350 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 350 D C 2.235 178.598 176.300 0.105 0.000 0.988 350 D CA 1.363 55.392 54.000 0.049 0.000 0.864 350 D CB -0.058 40.977 40.800 0.392 0.000 0.928 350 D HN 0.644 nan 8.370 nan 0.000 0.469 351 W N 1.048 122.498 121.300 0.249 0.000 2.374 351 W HA -0.042 4.617 4.660 -0.000 0.000 0.288 351 W C 1.909 178.532 176.519 0.173 0.000 1.218 351 W CA 0.766 58.272 57.345 0.268 0.000 1.245 351 W CB -1.182 28.523 29.460 0.409 0.000 1.126 351 W HN -0.065 nan 8.180 nan 0.000 0.545 352 A N 1.860 124.364 122.820 -0.526 0.000 1.997 352 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 352 A C 2.224 179.717 177.584 -0.151 0.000 1.172 352 A CA 2.829 54.590 52.037 -0.461 0.000 0.645 352 A CB -1.083 17.485 19.000 -0.719 0.000 0.813 352 A HN 0.161 nan 8.150 nan 0.000 0.454 353 V N -0.154 119.660 119.914 -0.167 0.000 2.527 353 V HA -0.257 3.863 4.120 -0.000 0.000 0.255 353 V C 2.238 178.288 176.094 -0.075 0.000 1.081 353 V CA 2.303 64.488 62.300 -0.191 0.000 1.092 353 V CB -0.496 31.085 31.823 -0.403 0.000 0.673 353 V HN 0.478 nan 8.190 nan 0.000 0.470 354 K N -0.734 119.685 120.400 0.032 0.000 2.354 354 K HA 0.225 4.545 4.320 -0.000 0.000 0.194 354 K C 0.689 177.348 176.600 0.098 0.000 1.045 354 K CA 0.174 56.501 56.287 0.067 0.000 1.026 354 K CB 0.561 33.124 32.500 0.106 0.000 0.866 354 K HN 0.266 nan 8.250 nan 0.000 0.530 355 R N 0.692 121.288 120.500 0.160 0.000 2.644 355 R HA 0.210 4.550 4.340 -0.000 0.000 0.271 355 R C -2.345 174.069 176.300 0.190 0.000 1.687 355 R CA -1.430 54.791 56.100 0.201 0.000 1.655 355 R CB 1.024 31.509 30.300 0.308 0.000 1.285 355 R HN -0.127 nan 8.270 nan 0.000 0.643 356 P HA -0.066 nan 4.420 nan 0.000 0.218 356 P C 0.379 177.724 177.300 0.076 0.000 1.148 356 P CA 1.279 64.399 63.100 0.033 0.000 0.822 356 P CB 0.271 31.973 31.700 0.004 0.000 0.784 357 N N -1.231 117.529 118.700 0.101 0.000 2.322 357 N HA 0.071 4.811 4.740 -0.000 0.000 0.194 357 N C -0.080 175.527 175.510 0.161 0.000 1.126 357 N CA -0.448 52.666 53.050 0.106 0.000 0.845 357 N CB 0.025 38.556 38.487 0.073 0.000 0.976 357 N HN 0.062 nan 8.380 nan 0.000 0.475 358 L N 1.847 123.224 121.223 0.256 0.000 2.305 358 L HA 0.220 4.560 4.340 -0.000 0.000 0.281 358 L C -0.242 176.901 176.870 0.455 0.000 1.085 358 L CA -0.388 54.652 54.840 0.334 0.000 0.813 358 L CB 0.584 42.873 42.059 0.382 0.000 1.157 358 L HN -0.182 nan 8.230 nan 0.000 0.436 359 K N 5.933 126.546 120.400 0.355 0.000 2.276 359 K HA 0.353 4.673 4.320 -0.000 0.000 0.283 359 K C -2.335 174.530 176.600 0.443 0.000 1.044 359 K CA -1.801 54.690 56.287 0.339 0.000 0.944 359 K CB 0.554 33.179 32.500 0.208 0.000 1.012 359 K HN 0.425 nan 8.250 nan 0.000 0.472 360 P HA 0.072 nan 4.420 nan 0.000 0.268 360 P C 0.404 177.670 177.300 -0.057 0.000 1.205 360 P CA 0.221 63.453 63.100 0.219 0.000 0.771 360 P CB 0.626 32.461 31.700 0.225 0.000 0.858 361 G N 1.312 109.865 108.800 -0.412 0.000 4.211 361 G HA2 0.212 4.172 3.960 -0.000 0.000 0.192 361 G HA3 0.212 4.172 3.960 -0.000 0.000 0.192 361 G C 0.447 175.037 174.900 -0.516 0.000 0.951 361 G CA 0.240 45.158 45.100 -0.304 0.000 0.804 361 G HN 0.738 nan 8.290 nan 0.000 0.489 362 G N -0.152 108.021 108.800 -1.045 0.000 2.553 362 G HA2 0.564 4.524 3.960 -0.000 0.000 0.278 362 G HA3 0.564 4.524 3.960 -0.000 0.000 0.278 362 G C -0.754 173.696 174.900 -0.749 0.000 1.349 362 G CA -0.433 44.148 45.100 -0.865 0.000 1.037 362 G HN 0.082 nan 8.290 nan 0.000 0.508 363 F N -1.494 118.300 119.950 -0.260 0.000 2.620 363 F HA 0.693 5.220 4.527 -0.000 0.000 0.320 363 F C 0.602 176.375 175.800 -0.045 0.000 1.069 363 F CA -0.623 57.303 58.000 -0.122 0.000 0.953 363 F CB 1.953 40.933 39.000 -0.032 0.000 1.322 363 F HN 0.657 nan 8.300 nan 0.000 0.479 364 A N 0.597 123.526 122.820 0.183 0.000 2.282 364 A HA 0.573 4.893 4.320 -0.000 0.000 0.324 364 A C -0.014 177.725 177.584 0.258 0.000 1.119 364 A CA -0.291 51.868 52.037 0.203 0.000 0.880 364 A CB 0.321 19.403 19.000 0.136 0.000 1.294 364 A HN 0.776 nan 8.150 nan 0.000 0.493 365 F N 0.060 120.063 119.950 0.088 0.000 2.149 365 F HA 0.012 4.538 4.527 -0.000 0.000 0.294 365 F C 1.648 177.432 175.800 -0.027 0.000 1.095 365 F CA 1.566 59.591 58.000 0.042 0.000 1.276 365 F CB -0.039 38.979 39.000 0.030 0.000 1.023 365 F HN 0.625 nan 8.300 nan 0.000 0.480 366 Q N -0.657 119.120 119.800 -0.039 0.000 2.173 366 Q HA 0.116 4.456 4.340 -0.000 0.000 0.186 366 Q C 1.088 176.900 176.000 -0.312 0.000 1.018 366 Q CA -0.403 55.209 55.803 -0.319 0.000 1.064 366 Q CB -0.708 27.964 28.738 -0.111 0.000 1.130 366 Q HN 0.193 nan 8.270 nan 0.000 0.553 367 F N 0.586 120.388 119.950 -0.247 0.000 2.051 367 F HA -0.080 4.447 4.527 -0.000 0.000 0.296 367 F C 0.861 176.538 175.800 -0.205 0.000 1.122 367 F CA 1.618 59.465 58.000 -0.256 0.000 1.201 367 F CB -0.024 38.784 39.000 -0.321 0.000 0.978 367 F HN 0.523 nan 8.300 nan 0.000 0.472 368 D N -0.795 119.630 120.400 0.043 0.000 2.375 368 D HA 0.198 4.838 4.640 -0.000 0.000 0.259 368 D C -1.258 174.999 176.300 -0.072 0.000 1.235 368 D CA -0.147 53.819 54.000 -0.056 0.000 0.924 368 D CB 0.003 40.753 40.800 -0.084 0.000 1.143 368 D HN -0.028 nan 8.370 nan 0.000 0.529 369 N N 3.149 121.807 118.700 -0.069 0.000 2.716 369 N HA 0.045 4.785 4.740 -0.000 0.000 0.245 369 N C 0.724 176.184 175.510 -0.083 0.000 1.495 369 N CA -0.381 52.650 53.050 -0.032 0.000 0.759 369 N CB 0.859 39.414 38.487 0.115 0.000 1.261 369 N HN 0.125 nan 8.380 nan 0.000 0.515 370 V N -0.144 119.596 119.914 -0.290 0.000 2.759 370 V HA -0.030 4.089 4.120 -0.000 0.000 0.256 370 V C 0.947 176.849 176.094 -0.320 0.000 1.080 370 V CA 1.238 63.320 62.300 -0.364 0.000 1.101 370 V CB -1.054 30.452 31.823 -0.528 0.000 0.698 370 V HN 0.345 nan 8.190 nan 0.000 0.477 371 Y N -0.783 119.423 120.300 -0.156 0.000 2.490 371 Y HA 0.372 4.921 4.550 -0.000 0.000 0.281 371 Y C 0.574 176.134 175.900 -0.567 0.000 1.174 371 Y CA -0.724 57.135 58.100 -0.400 0.000 1.295 371 Y CB -0.305 37.776 38.460 -0.632 0.000 1.062 371 Y HN 0.389 nan 8.280 nan 0.000 0.522 372 Y N 0.626 121.097 120.300 0.286 0.000 2.501 372 Y HA 0.342 4.892 4.550 -0.000 0.000 0.331 372 Y C -2.573 173.567 175.900 0.400 0.000 0.950 372 Y CA -3.475 54.833 58.100 0.347 0.000 1.120 372 Y CB 0.226 38.797 38.460 0.185 0.000 1.154 372 Y HN -0.098 nan 8.280 nan 0.000 0.630 373 P HA 0.100 nan 4.420 nan 0.000 0.275 373 P C -0.549 176.957 177.300 0.343 0.000 1.228 373 P CA 0.097 63.302 63.100 0.174 0.000 0.786 373 P CB 1.740 33.255 31.700 -0.307 0.000 0.927 374 D N 1.283 121.811 120.400 0.213 0.000 2.269 374 D HA 0.101 4.741 4.640 -0.000 0.000 0.244 374 D C 1.092 177.472 176.300 0.135 0.000 0.992 374 D CA -0.851 53.153 54.000 0.006 0.000 0.894 374 D CB 1.707 42.209 40.800 -0.497 0.000 1.248 374 D HN 0.001 nan 8.370 nan 0.000 0.468 375 V N 1.085 121.062 119.914 0.104 0.000 2.392 375 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 375 V C 2.009 178.102 176.094 -0.002 0.000 1.059 375 V CA 1.881 64.238 62.300 0.094 0.000 1.051 375 V CB -0.631 31.183 31.823 -0.016 0.000 0.658 375 V HN 0.670 nan 8.190 nan 0.000 0.455 376 D N 0.222 120.567 120.400 -0.092 0.000 2.088 376 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 376 D C 2.026 178.402 176.300 0.126 0.000 0.992 376 D CA 1.637 55.617 54.000 -0.033 0.000 0.831 376 D CB -0.318 40.315 40.800 -0.279 0.000 0.973 376 D HN 0.394 nan 8.370 nan 0.000 0.447 377 D N -0.363 120.085 120.400 0.081 0.000 2.116 377 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 377 D C 1.962 178.372 176.300 0.184 0.000 0.998 377 D CA 1.563 55.727 54.000 0.274 0.000 0.836 377 D CB -0.315 40.639 40.800 0.257 0.000 0.951 377 D HN 0.267 nan 8.370 nan 0.000 0.449 378 T N 1.311 115.991 114.554 0.210 0.000 2.635 378 T HA -0.195 4.154 4.350 -0.000 0.000 0.267 378 T C 2.085 176.849 174.700 0.107 0.000 1.040 378 T CA 1.883 64.147 62.100 0.273 0.000 1.156 378 T CB -0.425 68.681 68.868 0.398 0.000 0.863 378 T HN 0.233 nan 8.240 nan 0.000 0.430 379 A N 1.027 123.879 122.820 0.053 0.000 1.865 379 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 379 A C 2.648 180.275 177.584 0.071 0.000 1.191 379 A CA 1.859 53.877 52.037 -0.032 0.000 0.623 379 A CB -1.174 17.745 19.000 -0.136 0.000 0.826 379 A HN 0.361 nan 8.150 nan 0.000 0.444 380 V N -0.397 119.573 119.914 0.094 0.000 2.343 380 V HA -0.224 3.895 4.120 -0.000 0.000 0.247 380 V C 2.564 178.573 176.094 -0.142 0.000 1.051 380 V CA 1.950 64.246 62.300 -0.007 0.000 1.036 380 V CB -0.821 30.947 31.823 -0.092 0.000 0.654 380 V HN 0.375 nan 8.190 nan 0.000 0.451 381 V N -0.314 119.488 119.914 -0.187 0.000 2.358 381 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 381 V C 2.401 178.329 176.094 -0.278 0.000 1.047 381 V CA 1.832 63.902 62.300 -0.384 0.000 1.035 381 V CB -0.412 30.850 31.823 -0.934 0.000 0.658 381 V HN 0.398 nan 8.190 nan 0.000 0.452 382 V N -0.750 119.087 119.914 -0.128 0.000 2.237 382 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 382 V C 2.114 178.318 176.094 0.184 0.000 1.046 382 V CA 2.331 64.702 62.300 0.119 0.000 1.007 382 V CB -0.890 31.100 31.823 0.278 0.000 0.638 382 V HN 0.803 nan 8.190 nan 0.000 0.445 383 W N 1.637 122.883 121.300 -0.090 0.000 2.318 383 W HA -0.290 4.370 4.660 -0.000 0.000 0.313 383 W C 2.481 178.888 176.519 -0.186 0.000 1.221 383 W CA 2.261 59.479 57.345 -0.211 0.000 1.266 383 W CB -1.007 28.307 29.460 -0.242 0.000 1.150 383 W HN 0.229 nan 8.180 nan 0.000 0.496 384 A N 0.397 123.066 122.820 -0.252 0.000 1.940 384 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 384 A C 2.329 179.825 177.584 -0.147 0.000 1.176 384 A CA 1.961 53.773 52.037 -0.376 0.000 0.631 384 A CB -1.058 17.710 19.000 -0.387 0.000 0.814 384 A HN 0.416 nan 8.150 nan 0.000 0.446 385 L N -0.618 120.577 121.223 -0.047 0.000 2.093 385 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 385 L C 2.383 179.301 176.870 0.079 0.000 1.085 385 L CA 1.437 56.297 54.840 0.034 0.000 0.755 385 L CB -0.505 41.604 42.059 0.082 0.000 0.904 385 L HN 0.499 nan 8.230 nan 0.000 0.435 386 N N -0.193 118.571 118.700 0.107 0.000 2.519 386 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 386 N C 1.468 177.007 175.510 0.048 0.000 1.062 386 N CA 1.524 54.636 53.050 0.105 0.000 0.910 386 N CB 0.026 38.454 38.487 -0.099 0.000 0.958 386 N HN 0.362 nan 8.380 nan 0.000 0.445 387 T N -2.900 111.667 114.554 0.023 0.000 3.122 387 T HA 0.294 4.643 4.350 -0.000 0.000 0.250 387 T C 0.475 175.178 174.700 0.005 0.000 1.067 387 T CA -0.296 61.807 62.100 0.005 0.000 0.966 387 T CB -0.173 68.668 68.868 -0.043 0.000 1.002 387 T HN -0.022 nan 8.240 nan 0.000 0.542 388 L N 0.043 121.281 121.223 0.025 0.000 2.286 388 L HA 0.658 4.998 4.340 -0.000 0.000 0.265 388 L C 0.239 177.140 176.870 0.052 0.000 1.012 388 L CA -1.515 53.346 54.840 0.035 0.000 0.818 388 L CB 1.863 43.944 42.059 0.036 0.000 1.337 388 L HN -0.148 nan 8.230 nan 0.000 0.438 389 R N 1.446 121.978 120.500 0.052 0.000 2.415 389 R HA 0.526 4.866 4.340 -0.000 0.000 0.292 389 R C -1.387 174.945 176.300 0.054 0.000 1.295 389 R CA -0.350 55.781 56.100 0.052 0.000 1.137 389 R CB 0.796 31.122 30.300 0.043 0.000 1.135 389 R HN 0.454 nan 8.270 nan 0.000 0.560 390 L N 3.539 124.797 121.223 0.059 0.000 2.357 390 L HA 0.404 4.743 4.340 -0.000 0.000 0.273 390 L C -1.352 175.548 176.870 0.050 0.000 1.080 390 L CA -2.143 52.733 54.840 0.059 0.000 0.803 390 L CB 1.166 43.266 42.059 0.069 0.000 1.174 390 L HN 0.227 nan 8.230 nan 0.000 0.443 391 P HA -0.201 nan 4.420 nan 0.000 0.216 391 P C 0.024 177.346 177.300 0.036 0.000 1.154 391 P CA 1.312 64.434 63.100 0.037 0.000 0.865 391 P CB 0.115 31.835 31.700 0.034 0.000 0.789 392 D N -0.553 119.872 120.400 0.041 0.000 2.557 392 D HA 0.007 4.647 4.640 -0.000 0.000 0.236 392 D C 0.971 177.299 176.300 0.046 0.000 1.154 392 D CA -0.121 53.902 54.000 0.039 0.000 0.985 392 D CB -0.366 40.456 40.800 0.038 0.000 1.010 392 D HN -0.108 nan 8.370 nan 0.000 0.516 393 E N 1.252 121.479 120.200 0.045 0.000 2.393 393 E HA -0.208 4.142 4.350 -0.000 0.000 0.201 393 E C 1.575 178.206 176.600 0.051 0.000 1.025 393 E CA 0.369 56.800 56.400 0.051 0.000 0.856 393 E CB 0.225 29.952 29.700 0.045 0.000 0.771 393 E HN 0.363 nan 8.360 nan 0.000 0.526 394 R N 1.446 121.971 120.500 0.043 0.000 2.056 394 R HA -0.043 4.297 4.340 -0.000 0.000 0.227 394 R C 2.199 178.527 176.300 0.048 0.000 1.149 394 R CA 1.883 58.006 56.100 0.039 0.000 0.937 394 R CB -0.654 29.664 30.300 0.030 0.000 0.835 394 R HN 0.017 nan 8.270 nan 0.000 0.430 395 R N -0.071 120.458 120.500 0.049 0.000 2.096 395 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 395 R C 2.494 178.842 176.300 0.080 0.000 1.127 395 R CA 1.643 57.777 56.100 0.056 0.000 0.968 395 R CB -0.229 30.100 30.300 0.048 0.000 0.861 395 R HN 0.217 nan 8.270 nan 0.000 0.440 396 R N -0.015 120.537 120.500 0.086 0.000 2.073 396 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 396 R C 2.281 178.656 176.300 0.126 0.000 1.134 396 R CA 1.806 57.972 56.100 0.111 0.000 0.952 396 R CB -0.132 30.230 30.300 0.102 0.000 0.850 396 R HN 0.015 nan 8.270 nan 0.000 0.433 397 R N 0.763 121.325 120.500 0.102 0.000 2.073 397 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 397 R C 1.721 178.077 176.300 0.093 0.000 1.134 397 R CA 2.260 58.419 56.100 0.099 0.000 0.952 397 R CB -0.718 29.623 30.300 0.068 0.000 0.850 397 R HN 0.266 nan 8.270 nan 0.000 0.433 398 D N -0.664 119.783 120.400 0.078 0.000 2.087 398 D HA -0.117 4.523 4.640 -0.000 0.000 0.192 398 D C 1.706 178.063 176.300 0.095 0.000 0.993 398 D CA 1.990 56.032 54.000 0.069 0.000 0.828 398 D CB -0.258 40.573 40.800 0.052 0.000 0.968 398 D HN 0.327 nan 8.370 nan 0.000 0.448 399 A N 0.313 123.202 122.820 0.115 0.000 1.859 399 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 399 A C 2.349 180.064 177.584 0.218 0.000 1.198 399 A CA 2.172 54.301 52.037 0.153 0.000 0.629 399 A CB -0.854 18.258 19.000 0.186 0.000 0.830 399 A HN 0.322 nan 8.150 nan 0.000 0.446 400 M N -0.369 119.375 119.600 0.241 0.000 2.103 400 M HA -0.220 4.260 4.480 -0.000 0.000 0.255 400 M C 2.261 178.729 176.300 0.280 0.000 1.074 400 M CA 2.422 57.906 55.300 0.307 0.000 1.090 400 M CB -1.124 31.675 32.600 0.333 0.000 1.325 400 M HN 0.660 nan 8.290 nan 0.000 0.403 401 T N -0.264 114.394 114.554 0.172 0.000 2.746 401 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 401 T C 1.708 176.518 174.700 0.184 0.000 1.039 401 T CA 1.275 63.445 62.100 0.116 0.000 1.142 401 T CB -0.331 68.556 68.868 0.031 0.000 0.866 401 T HN 0.422 nan 8.240 nan 0.000 0.444 402 K N 1.036 121.537 120.400 0.169 0.000 2.057 402 K HA -0.007 4.313 4.320 -0.000 0.000 0.207 402 K C 2.791 179.540 176.600 0.249 0.000 1.049 402 K CA 1.284 57.672 56.287 0.168 0.000 0.931 402 K CB -0.633 31.923 32.500 0.095 0.000 0.714 402 K HN 0.442 nan 8.250 nan 0.000 0.440 403 G N 1.054 110.029 108.800 0.291 0.000 2.418 403 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 403 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 403 G C 1.319 176.483 174.900 0.441 0.000 1.158 403 G CA 0.344 45.674 45.100 0.384 0.000 0.771 403 G HN 0.154 nan 8.290 nan 0.000 0.545 404 F N 1.851 121.960 119.950 0.266 0.000 2.026 404 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 404 F C 2.924 178.883 175.800 0.266 0.000 1.133 404 F CA 1.709 59.872 58.000 0.271 0.000 1.188 404 F CB -0.434 38.631 39.000 0.107 0.000 0.968 404 F HN -0.000 nan 8.300 nan 0.000 0.476 405 R N -1.329 119.503 120.500 0.554 0.000 2.103 405 R HA -0.270 4.069 4.340 -0.000 0.000 0.242 405 R C 2.140 178.627 176.300 0.312 0.000 1.142 405 R CA 1.879 58.199 56.100 0.367 0.000 0.960 405 R CB -1.222 29.208 30.300 0.217 0.000 0.858 405 R HN 0.501 nan 8.270 nan 0.000 0.439 406 W N 1.710 123.095 121.300 0.142 0.000 2.335 406 W HA -0.157 4.502 4.660 -0.000 0.000 0.311 406 W C 1.812 178.364 176.519 0.054 0.000 1.213 406 W CA 1.417 58.770 57.345 0.013 0.000 1.274 406 W CB -0.390 29.013 29.460 -0.094 0.000 1.148 406 W HN -0.061 nan 8.180 nan 0.000 0.498 407 I N -0.240 120.419 120.570 0.149 0.000 2.127 407 I HA -0.383 3.787 4.170 -0.000 0.000 0.241 407 I C 2.197 178.435 176.117 0.202 0.000 1.075 407 I CA 1.734 63.038 61.300 0.006 0.000 1.334 407 I CB -1.343 36.655 38.000 -0.003 0.000 1.040 407 I HN -0.171 nan 8.210 nan 0.000 0.405 408 V N 1.340 121.458 119.914 0.340 0.000 2.231 408 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 408 V C 2.544 178.753 176.094 0.192 0.000 1.054 408 V CA 2.383 64.903 62.300 0.367 0.000 1.015 408 V CB -1.673 30.360 31.823 0.349 0.000 0.638 408 V HN 0.619 nan 8.190 nan 0.000 0.444 409 G N -1.117 107.721 108.800 0.063 0.000 2.564 409 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 409 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 409 G C 1.330 176.149 174.900 -0.135 0.000 1.124 409 G CA 0.608 45.687 45.100 -0.035 0.000 0.764 409 G HN 0.359 nan 8.290 nan 0.000 0.550 410 M N -0.387 119.118 119.600 -0.158 0.000 2.501 410 M HA 0.152 4.631 4.480 -0.000 0.000 0.261 410 M C 1.233 177.488 176.300 -0.075 0.000 1.129 410 M CA -0.068 55.112 55.300 -0.200 0.000 1.126 410 M CB -0.642 31.703 32.600 -0.426 0.000 1.359 410 M HN 0.310 nan 8.290 nan 0.000 0.471 411 Q N 1.882 121.632 119.800 -0.083 0.000 2.320 411 Q HA -0.023 4.317 4.340 -0.000 0.000 0.311 411 Q C -0.288 175.378 176.000 -0.556 0.000 1.083 411 Q CA 0.202 55.489 55.803 -0.860 0.000 1.001 411 Q CB 0.681 28.959 28.738 -0.768 0.000 1.074 411 Q HN 0.201 nan 8.270 nan 0.000 0.379 412 S N 2.079 117.424 115.700 -0.591 0.000 2.633 412 S HA 0.048 4.518 4.470 -0.000 0.000 0.257 412 S C 1.168 175.569 174.600 -0.333 0.000 1.265 412 S CA -0.342 57.647 58.200 -0.351 0.000 0.980 412 S CB 0.986 64.013 63.200 -0.288 0.000 1.017 412 S HN 0.785 nan 8.310 nan 0.000 0.577 413 S N 1.973 117.537 115.700 -0.226 0.000 2.368 413 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 413 S C 1.426 175.904 174.600 -0.204 0.000 1.030 413 S CA 1.660 59.751 58.200 -0.182 0.000 0.999 413 S CB -0.633 62.497 63.200 -0.117 0.000 0.844 413 S HN 0.813 nan 8.310 nan 0.000 0.459 414 N N 0.697 119.252 118.700 -0.243 0.000 2.434 414 N HA 0.256 4.995 4.740 -0.000 0.000 0.196 414 N C 0.972 176.291 175.510 -0.319 0.000 1.183 414 N CA 0.737 53.652 53.050 -0.225 0.000 0.849 414 N CB -0.296 38.078 38.487 -0.188 0.000 0.992 414 N HN 0.347 nan 8.380 nan 0.000 0.460 415 G N -1.995 106.548 108.800 -0.428 0.000 2.205 415 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.261 415 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.261 415 G C 0.321 174.781 174.900 -0.733 0.000 0.980 415 G CA 0.039 44.830 45.100 -0.516 0.000 0.632 415 G HN 0.812 nan 8.290 nan 0.000 0.533 416 G N -1.152 107.126 108.800 -0.870 0.000 2.412 416 G HA2 0.495 4.455 3.960 -0.000 0.000 0.318 416 G HA3 0.495 4.455 3.960 -0.000 0.000 0.318 416 G C -0.086 174.449 174.900 -0.608 0.000 1.146 416 G CA -0.656 43.906 45.100 -0.896 0.000 0.882 416 G HN 0.224 nan 8.290 nan 0.000 0.501 417 W N 0.811 121.995 121.300 -0.194 0.000 2.438 417 W HA 0.529 5.189 4.660 -0.000 0.000 0.324 417 W C 0.604 177.096 176.519 -0.045 0.000 1.119 417 W CA -0.578 56.698 57.345 -0.115 0.000 1.221 417 W CB 2.008 31.413 29.460 -0.093 0.000 1.253 417 W HN 0.733 nan 8.180 nan 0.000 0.555 418 G N 0.544 109.463 108.800 0.198 0.000 2.537 418 G HA2 0.464 4.424 3.960 -0.000 0.000 0.297 418 G HA3 0.464 4.424 3.960 -0.000 0.000 0.297 418 G C 0.451 175.456 174.900 0.175 0.000 1.310 418 G CA 0.123 45.345 45.100 0.204 0.000 1.027 418 G HN 0.511 nan 8.290 nan 0.000 0.505 419 A N -1.392 121.534 122.820 0.178 0.000 1.850 419 A HA 0.237 4.557 4.320 -0.000 0.000 0.212 419 A C 1.807 179.236 177.584 -0.259 0.000 1.208 419 A CA 1.244 53.190 52.037 -0.150 0.000 0.609 419 A CB -0.352 18.537 19.000 -0.185 0.000 0.860 419 A HN 0.609 nan 8.150 nan 0.000 0.448 420 Y N -0.848 119.646 120.300 0.324 0.000 2.589 420 Y HA 0.274 4.824 4.550 -0.000 0.000 0.271 420 Y C 0.267 176.396 175.900 0.383 0.000 1.107 420 Y CA -0.520 57.812 58.100 0.387 0.000 1.273 420 Y CB 0.633 39.363 38.460 0.450 0.000 1.266 420 Y HN 0.153 nan 8.280 nan 0.000 0.504 421 D N -0.696 119.967 120.400 0.438 0.000 2.533 421 D HA 0.470 5.110 4.640 -0.000 0.000 0.247 421 D C -1.009 175.411 176.300 0.199 0.000 1.056 421 D CA -0.450 53.753 54.000 0.339 0.000 1.054 421 D CB 3.183 44.181 40.800 0.329 0.000 1.400 421 D HN -0.339 nan 8.370 nan 0.000 0.533 422 V N 1.222 121.228 119.914 0.153 0.000 2.481 422 V HA 0.112 4.232 4.120 -0.000 0.000 0.286 422 V C 0.176 176.298 176.094 0.046 0.000 1.042 422 V CA -0.435 61.900 62.300 0.058 0.000 0.928 422 V CB 1.229 33.069 31.823 0.029 0.000 0.986 422 V HN 0.595 nan 8.190 nan 0.000 0.462 423 D N 2.579 122.977 120.400 -0.003 0.000 2.782 423 D HA -0.201 4.439 4.640 -0.000 0.000 0.231 423 D C 0.693 177.009 176.300 0.026 0.000 1.163 423 D CA 0.733 54.728 54.000 -0.008 0.000 0.680 423 D CB -0.548 40.240 40.800 -0.020 0.000 1.062 423 D HN 0.749 nan 8.370 nan 0.000 0.425 424 N N 0.898 119.633 118.700 0.058 0.000 3.103 424 N HA -0.016 4.724 4.740 -0.000 0.000 0.305 424 N C 0.650 176.180 175.510 0.035 0.000 1.232 424 N CA 0.609 53.697 53.050 0.063 0.000 1.190 424 N CB 0.045 38.594 38.487 0.104 0.000 1.461 424 N HN 0.219 nan 8.380 nan 0.000 0.538 425 T N -2.696 111.864 114.554 0.011 0.000 3.129 425 T HA 0.086 4.436 4.350 -0.000 0.000 0.267 425 T C 0.746 175.431 174.700 -0.025 0.000 1.018 425 T CA -0.505 61.595 62.100 -0.000 0.000 0.903 425 T CB 0.066 68.935 68.868 0.001 0.000 1.067 425 T HN 0.145 nan 8.240 nan 0.000 0.549 426 S N 1.357 117.030 115.700 -0.044 0.000 2.558 426 S HA -0.004 4.466 4.470 -0.000 0.000 0.291 426 S C 0.639 175.183 174.600 -0.093 0.000 1.306 426 S CA 0.056 58.216 58.200 -0.066 0.000 1.056 426 S CB 0.344 63.485 63.200 -0.100 0.000 0.836 426 S HN 0.496 nan 8.310 nan 0.000 0.504 427 D N 2.912 123.275 120.400 -0.062 0.000 2.395 427 D HA 0.189 4.829 4.640 -0.000 0.000 0.213 427 D C 1.417 177.665 176.300 -0.087 0.000 1.110 427 D CA -0.172 53.785 54.000 -0.073 0.000 0.835 427 D CB 0.014 40.828 40.800 0.022 0.000 0.965 427 D HN 0.381 nan 8.370 nan 0.000 0.505 428 L N 1.527 122.701 121.223 -0.081 0.000 1.993 428 L HA 0.049 4.389 4.340 -0.000 0.000 0.206 428 L C -0.637 176.084 176.870 -0.248 0.000 1.074 428 L CA 1.663 56.480 54.840 -0.037 0.000 0.746 428 L CB -1.888 40.156 42.059 -0.025 0.000 0.896 428 L HN 0.137 nan 8.230 nan 0.000 0.435 429 P HA -0.177 nan 4.420 nan 0.000 0.222 429 P C 0.839 177.890 177.300 -0.415 0.000 1.142 429 P CA 1.144 63.927 63.100 -0.528 0.000 0.788 429 P CB -0.248 30.804 31.700 -1.081 0.000 0.767 430 N N -0.692 117.716 118.700 -0.486 0.000 2.571 430 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 430 N C 1.126 176.255 175.510 -0.634 0.000 1.154 430 N CA 0.780 53.515 53.050 -0.524 0.000 0.907 430 N CB -0.315 37.833 38.487 -0.565 0.000 0.977 430 N HN 0.457 nan 8.380 nan 0.000 0.449 431 H N -0.534 118.324 119.070 -0.353 0.000 2.827 431 H HA 0.202 4.758 4.556 -0.000 0.000 0.269 431 H C 0.596 175.531 175.328 -0.656 0.000 1.031 431 H CA -0.411 55.360 56.048 -0.462 0.000 1.202 431 H CB 1.122 30.581 29.762 -0.504 0.000 1.511 431 H HN 0.014 nan 8.280 nan 0.000 0.517 432 I N 3.014 123.277 120.570 -0.513 0.000 2.710 432 I HA -0.016 4.154 4.170 -0.000 0.000 0.286 432 I C -1.162 174.915 176.117 -0.067 0.000 1.181 432 I CA -1.733 59.386 61.300 -0.302 0.000 1.430 432 I CB 0.297 38.255 38.000 -0.070 0.000 1.367 432 I HN -0.095 nan 8.210 nan 0.000 0.577 433 P HA -0.187 nan 4.420 nan 0.000 0.219 433 P C 1.687 179.044 177.300 0.095 0.000 1.146 433 P CA 1.217 64.373 63.100 0.093 0.000 0.808 433 P CB 0.073 31.864 31.700 0.152 0.000 0.779 434 F N 0.395 120.318 119.950 -0.044 0.000 2.060 434 F HA -0.093 4.434 4.527 -0.000 0.000 0.295 434 F C 0.794 176.507 175.800 -0.146 0.000 1.120 434 F CA 0.879 58.821 58.000 -0.096 0.000 1.205 434 F CB -0.838 38.109 39.000 -0.089 0.000 0.986 434 F HN -0.249 nan 8.300 nan 0.000 0.470 435 C N 3.596 122.822 119.300 -0.124 0.000 2.734 435 C HA 0.083 4.543 4.460 -0.000 0.000 0.398 435 C C 0.708 175.572 174.990 -0.210 0.000 1.090 435 C CA 0.245 59.125 59.018 -0.230 0.000 1.251 435 C CB -2.444 25.274 27.740 -0.037 0.000 1.789 435 C HN 0.531 nan 8.230 nan 0.000 0.556 436 D N 0.265 120.503 120.400 -0.269 0.000 2.623 436 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 436 D C -0.365 175.920 176.300 -0.025 0.000 1.294 436 D CA -0.183 53.738 54.000 -0.131 0.000 0.824 436 D CB 0.064 40.799 40.800 -0.109 0.000 1.070 436 D HN 0.393 nan 8.370 nan 0.000 0.487 437 F N 0.982 120.779 119.950 -0.255 0.000 2.653 437 F HA 0.478 5.005 4.527 -0.000 0.000 0.327 437 F C 0.535 176.173 175.800 -0.269 0.000 1.195 437 F CA 0.570 58.464 58.000 -0.176 0.000 0.993 437 F CB 1.383 40.327 39.000 -0.094 0.000 1.259 437 F HN 0.217 nan 8.300 nan 0.000 0.478 438 G N 4.579 112.845 108.800 -0.889 0.000 2.641 438 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.254 438 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.254 438 G C -0.596 173.867 174.900 -0.728 0.000 1.315 438 G CA -0.337 44.125 45.100 -1.064 0.000 0.907 438 G HN 0.733 nan 8.290 nan 0.000 0.572 439 E N -0.860 118.822 120.200 -0.862 0.000 2.349 439 E HA 0.460 4.809 4.350 -0.000 0.000 0.262 439 E C 0.952 177.620 176.600 0.113 0.000 1.088 439 E CA 0.002 56.312 56.400 -0.150 0.000 0.899 439 E CB 1.667 31.526 29.700 0.265 0.000 1.044 439 E HN 0.503 nan 8.360 nan 0.000 0.420 440 V N 0.107 120.108 119.914 0.145 0.000 3.497 440 V HA 0.005 4.125 4.120 -0.000 0.000 0.272 440 V C 0.499 176.576 176.094 -0.028 0.000 1.474 440 V CA 0.599 62.967 62.300 0.114 0.000 1.025 440 V CB 0.963 32.811 31.823 0.041 0.000 0.820 440 V HN 0.750 nan 8.190 nan 0.000 0.437 441 T N -2.458 112.104 114.554 0.013 0.000 2.940 441 T HA 0.628 4.978 4.350 -0.000 0.000 0.288 441 T C -0.958 173.813 174.700 0.119 0.000 1.045 441 T CA -0.424 61.652 62.100 -0.039 0.000 1.018 441 T CB 2.609 71.443 68.868 -0.057 0.000 1.151 441 T HN 0.031 nan 8.240 nan 0.000 0.529 442 D N 1.973 122.443 120.400 0.117 0.000 2.502 442 D HA 0.372 5.012 4.640 -0.000 0.000 0.301 442 D C -2.500 173.954 176.300 0.257 0.000 1.202 442 D CA -1.920 52.273 54.000 0.321 0.000 0.878 442 D CB 0.739 41.742 40.800 0.338 0.000 1.062 442 D HN 0.308 nan 8.370 nan 0.000 0.499 443 P HA 0.367 nan 4.420 nan 0.000 0.279 443 P C -2.623 174.781 177.300 0.175 0.000 1.252 443 P CA -1.604 61.582 63.100 0.144 0.000 0.811 443 P CB 0.515 32.280 31.700 0.107 0.000 1.035 444 P HA 0.037 nan 4.420 nan 0.000 0.266 444 P C -0.040 177.391 177.300 0.219 0.000 1.193 444 P CA 0.609 63.750 63.100 0.068 0.000 0.770 444 P CB 0.194 31.758 31.700 -0.227 0.000 0.836 445 S N 0.427 116.304 115.700 0.295 0.000 2.634 445 S HA 0.411 4.881 4.470 -0.000 0.000 0.296 445 S C 0.678 175.499 174.600 0.369 0.000 1.104 445 S CA -0.615 57.803 58.200 0.363 0.000 0.920 445 S CB 1.775 65.192 63.200 0.361 0.000 1.111 445 S HN 0.226 nan 8.310 nan 0.000 0.493 446 E N 1.485 121.852 120.200 0.277 0.000 2.015 446 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 446 E C 1.644 178.200 176.600 -0.073 0.000 0.991 446 E CA 1.684 58.140 56.400 0.094 0.000 0.802 446 E CB -0.285 29.410 29.700 -0.009 0.000 0.759 446 E HN 0.834 nan 8.360 nan 0.000 0.447 447 D N 1.013 121.334 120.400 -0.132 0.000 2.116 447 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 447 D C 1.984 177.994 176.300 -0.483 0.000 0.998 447 D CA 1.373 55.138 54.000 -0.393 0.000 0.836 447 D CB -0.716 39.911 40.800 -0.287 0.000 0.951 447 D HN 0.146 nan 8.370 nan 0.000 0.449 448 V N 1.264 121.102 119.914 -0.127 0.000 2.261 448 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 448 V C 2.808 178.868 176.094 -0.056 0.000 1.047 448 V CA 2.387 64.647 62.300 -0.066 0.000 1.015 448 V CB -1.135 30.745 31.823 0.094 0.000 0.642 448 V HN 0.290 nan 8.190 nan 0.000 0.446 449 T N 0.475 115.085 114.554 0.093 0.000 2.803 449 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 449 T C 1.991 176.695 174.700 0.008 0.000 1.052 449 T CA 1.568 63.806 62.100 0.230 0.000 1.136 449 T CB -0.433 68.659 68.868 0.373 0.000 0.864 449 T HN 0.580 nan 8.240 nan 0.000 0.467 450 A N 1.275 124.003 122.820 -0.153 0.000 1.873 450 A HA -0.124 4.195 4.320 -0.000 0.000 0.215 450 A C 1.919 179.401 177.584 -0.169 0.000 1.186 450 A CA 1.460 53.358 52.037 -0.232 0.000 0.616 450 A CB -0.933 17.842 19.000 -0.375 0.000 0.823 450 A HN 0.695 nan 8.150 nan 0.000 0.442 451 H N -1.228 117.740 119.070 -0.169 0.000 2.456 451 H HA -0.052 4.504 4.556 -0.000 0.000 0.296 451 H C 1.998 177.135 175.328 -0.318 0.000 1.079 451 H CA 0.736 56.699 56.048 -0.143 0.000 1.322 451 H CB 0.095 29.858 29.762 0.001 0.000 1.388 451 H HN 0.323 nan 8.280 nan 0.000 0.538 452 V N 0.488 120.192 119.914 -0.351 0.000 2.255 452 V HA -0.210 3.910 4.120 -0.000 0.000 0.243 452 V C 2.185 177.733 176.094 -0.910 0.000 1.038 452 V CA 1.190 62.984 62.300 -0.844 0.000 1.008 452 V CB -0.409 30.625 31.823 -1.315 0.000 0.645 452 V HN 0.216 nan 8.190 nan 0.000 0.449 453 L N 0.226 121.175 121.223 -0.458 0.000 2.043 453 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 453 L C 2.480 179.189 176.870 -0.267 0.000 1.075 453 L CA 2.211 56.944 54.840 -0.179 0.000 0.752 453 L CB -0.915 41.129 42.059 -0.026 0.000 0.891 453 L HN 0.455 nan 8.230 nan 0.000 0.432 454 E N -1.697 118.272 120.200 -0.384 0.000 2.265 454 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 454 E C 2.355 178.413 176.600 -0.904 0.000 0.996 454 E CA 1.143 57.187 56.400 -0.593 0.000 0.832 454 E CB -0.183 29.146 29.700 -0.618 0.000 0.756 454 E HN 0.553 nan 8.360 nan 0.000 0.491 455 C N -0.487 118.372 119.300 -0.734 0.000 2.508 455 C HA -0.056 4.404 4.460 -0.000 0.000 0.280 455 C C 2.171 176.950 174.990 -0.351 0.000 1.262 455 C CA 0.544 59.176 59.018 -0.644 0.000 1.706 455 C CB -1.299 26.120 27.740 -0.534 0.000 2.078 455 C HN 0.530 nan 8.230 nan 0.000 0.480 456 F N 2.052 121.964 119.950 -0.063 0.000 2.091 456 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 456 F C 2.641 178.591 175.800 0.250 0.000 1.103 456 F CA 1.473 59.675 58.000 0.337 0.000 1.228 456 F CB -1.786 37.458 39.000 0.408 0.000 0.984 456 F HN 0.361 nan 8.300 nan 0.000 0.477 457 G N 0.016 108.922 108.800 0.177 0.000 2.556 457 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.220 457 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.220 457 G C 1.810 176.650 174.900 -0.099 0.000 1.156 457 G CA 1.913 47.026 45.100 0.021 0.000 0.766 457 G HN 0.491 nan 8.290 nan 0.000 0.583 458 S N 0.350 115.852 115.700 -0.329 0.000 2.400 458 S HA -0.068 4.401 4.470 -0.000 0.000 0.232 458 S C 2.067 176.498 174.600 -0.282 0.000 1.025 458 S CA 1.449 59.422 58.200 -0.379 0.000 0.993 458 S CB -0.527 62.317 63.200 -0.593 0.000 0.808 458 S HN 0.233 nan 8.310 nan 0.000 0.478 459 F N 2.275 122.224 119.950 -0.001 0.000 2.325 459 F HA 0.321 4.848 4.527 -0.000 0.000 0.299 459 F C 2.379 178.029 175.800 -0.250 0.000 1.090 459 F CA 0.544 58.505 58.000 -0.064 0.000 1.392 459 F CB -0.648 38.387 39.000 0.059 0.000 1.053 459 F HN 0.499 nan 8.300 nan 0.000 0.521 460 G N -2.192 106.578 108.800 -0.049 0.000 2.260 460 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.179 460 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.179 460 G C -0.277 174.589 174.900 -0.056 0.000 1.002 460 G CA -0.709 44.329 45.100 -0.103 0.000 0.677 460 G HN 0.115 nan 8.290 nan 0.000 0.486 461 Y N 3.921 124.364 120.300 0.238 0.000 2.605 461 Y HA 0.367 4.917 4.550 -0.000 0.000 0.336 461 Y C 1.231 177.292 175.900 0.268 0.000 1.111 461 Y CA -0.563 57.685 58.100 0.247 0.000 1.422 461 Y CB 0.313 39.003 38.460 0.383 0.000 1.193 461 Y HN 0.398 nan 8.280 nan 0.000 0.526 462 D N 0.841 121.452 120.400 0.352 0.000 2.530 462 D HA 0.019 4.659 4.640 -0.000 0.000 0.282 462 D C 0.493 176.953 176.300 0.266 0.000 1.204 462 D CA -0.327 53.824 54.000 0.252 0.000 1.093 462 D CB 0.405 41.303 40.800 0.164 0.000 1.154 462 D HN 0.462 nan 8.370 nan 0.000 0.593 463 D N -1.185 119.326 120.400 0.185 0.000 2.350 463 D HA -0.025 4.615 4.640 -0.000 0.000 0.216 463 D C 1.801 178.194 176.300 0.156 0.000 0.968 463 D CA 1.098 55.191 54.000 0.155 0.000 0.894 463 D CB -0.144 40.725 40.800 0.116 0.000 0.909 463 D HN 0.423 nan 8.370 nan 0.000 0.520 464 A N 0.194 123.122 122.820 0.179 0.000 1.858 464 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 464 A C 0.956 178.676 177.584 0.226 0.000 1.190 464 A CA 0.547 52.684 52.037 0.166 0.000 0.617 464 A CB -1.116 17.974 19.000 0.149 0.000 0.827 464 A HN 0.489 nan 8.150 nan 0.000 0.443 465 W N 2.303 123.629 121.300 0.044 0.000 2.443 465 W HA 0.108 4.768 4.660 -0.000 0.000 0.335 465 W C 1.377 177.895 176.519 -0.003 0.000 1.382 465 W CA -0.137 57.208 57.345 -0.000 0.000 1.305 465 W CB 0.310 29.751 29.460 -0.032 0.000 1.283 465 W HN 0.445 nan 8.180 nan 0.000 0.567 466 K N 3.671 124.125 120.400 0.090 0.000 2.089 466 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 466 K C 1.511 177.920 176.600 -0.319 0.000 1.048 466 K CA 2.324 58.553 56.287 -0.096 0.000 0.926 466 K CB -0.157 32.314 32.500 -0.049 0.000 0.714 466 K HN 0.431 nan 8.250 nan 0.000 0.448 467 V N 2.040 121.489 119.914 -0.776 0.000 2.231 467 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 467 V C 2.473 178.292 176.094 -0.458 0.000 1.058 467 V CA 1.990 63.787 62.300 -0.838 0.000 1.022 467 V CB -0.496 30.293 31.823 -1.722 0.000 0.640 467 V HN 0.353 nan 8.190 nan 0.000 0.445 468 I N -0.132 120.199 120.570 -0.399 0.000 2.118 468 I HA -0.296 3.873 4.170 -0.000 0.000 0.241 468 I C 2.625 178.742 176.117 0.000 0.000 1.070 468 I CA 2.180 63.459 61.300 -0.035 0.000 1.327 468 I CB -1.315 36.757 38.000 0.119 0.000 1.034 468 I HN 0.372 nan 8.210 nan 0.000 0.405 469 R N 1.070 121.556 120.500 -0.022 0.000 2.094 469 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 469 R C 2.529 178.818 176.300 -0.019 0.000 1.137 469 R CA 1.678 57.778 56.100 -0.000 0.000 0.943 469 R CB -0.152 30.147 30.300 -0.001 0.000 0.850 469 R HN 0.328 nan 8.270 nan 0.000 0.433 470 R N -0.073 120.382 120.500 -0.075 0.000 2.119 470 R HA -0.195 4.145 4.340 -0.000 0.000 0.246 470 R C 2.355 178.631 176.300 -0.041 0.000 1.146 470 R CA 1.668 57.716 56.100 -0.086 0.000 0.962 470 R CB -0.541 29.657 30.300 -0.171 0.000 0.863 470 R HN 0.323 nan 8.270 nan 0.000 0.442 471 A N 0.919 123.722 122.820 -0.028 0.000 1.841 471 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 471 A C 2.455 180.124 177.584 0.142 0.000 1.195 471 A CA 1.509 53.593 52.037 0.078 0.000 0.611 471 A CB -0.733 18.379 19.000 0.186 0.000 0.835 471 A HN 0.114 nan 8.150 nan 0.000 0.443 472 V N 0.626 120.598 119.914 0.097 0.000 2.317 472 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 472 V C 2.595 178.731 176.094 0.070 0.000 1.065 472 V CA 2.332 64.683 62.300 0.086 0.000 1.049 472 V CB -0.849 31.024 31.823 0.085 0.000 0.651 472 V HN 0.526 nan 8.190 nan 0.000 0.450 473 E N -0.668 119.565 120.200 0.054 0.000 2.077 473 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 473 E C 2.056 178.699 176.600 0.070 0.000 0.989 473 E CA 1.724 58.144 56.400 0.034 0.000 0.800 473 E CB -0.486 29.226 29.700 0.019 0.000 0.746 473 E HN 0.787 nan 8.360 nan 0.000 0.452 474 Y N 1.578 121.870 120.300 -0.013 0.000 2.128 474 Y HA -0.197 4.352 4.550 -0.000 0.000 0.284 474 Y C 2.187 178.121 175.900 0.057 0.000 1.154 474 Y CA 1.447 59.546 58.100 -0.001 0.000 1.149 474 Y CB -0.544 37.895 38.460 -0.035 0.000 0.976 474 Y HN -0.064 nan 8.280 nan 0.000 0.505 475 L N 0.074 121.214 121.223 -0.138 0.000 2.017 475 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 475 L C 2.547 179.513 176.870 0.160 0.000 1.073 475 L CA 1.786 56.535 54.840 -0.152 0.000 0.745 475 L CB -0.605 41.365 42.059 -0.150 0.000 0.894 475 L HN 0.127 nan 8.230 nan 0.000 0.432 476 K N -0.026 120.457 120.400 0.138 0.000 2.032 476 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 476 K C 2.237 178.860 176.600 0.038 0.000 1.048 476 K CA 1.463 57.819 56.287 0.115 0.000 0.927 476 K CB -0.179 32.261 32.500 -0.100 0.000 0.712 476 K HN 0.298 nan 8.250 nan 0.000 0.441 477 R N 0.626 121.116 120.500 -0.017 0.000 2.120 477 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 477 R C 1.953 178.222 176.300 -0.053 0.000 1.123 477 R CA 0.928 57.006 56.100 -0.038 0.000 0.975 477 R CB -0.079 30.209 30.300 -0.019 0.000 0.866 477 R HN 0.212 nan 8.270 nan 0.000 0.446 478 E N 1.073 121.222 120.200 -0.084 0.000 2.299 478 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 478 E C 0.586 177.180 176.600 -0.010 0.000 0.998 478 E CA 0.141 56.501 56.400 -0.068 0.000 0.851 478 E CB -0.062 29.512 29.700 -0.210 0.000 0.795 478 E HN 0.340 nan 8.360 nan 0.000 0.492 479 Q N 1.719 121.522 119.800 0.005 0.000 2.342 479 Q HA -0.112 4.228 4.340 -0.000 0.000 0.330 479 Q C -0.282 175.482 176.000 -0.393 0.000 1.117 479 Q CA 0.560 56.053 55.803 -0.517 0.000 1.010 479 Q CB 0.579 28.952 28.738 -0.609 0.000 1.204 479 Q HN -0.279 nan 8.270 nan 0.000 0.400 480 K N 4.376 124.481 120.400 -0.492 0.000 2.126 480 K HA 0.157 4.476 4.320 -0.000 0.000 0.257 480 K C -1.841 174.570 176.600 -0.316 0.000 1.007 480 K CA -2.035 54.057 56.287 -0.324 0.000 0.928 480 K CB 0.364 32.667 32.500 -0.328 0.000 1.013 480 K HN 0.486 nan 8.250 nan 0.000 0.473 481 P HA -0.205 nan 4.420 nan 0.000 0.216 481 P C 0.327 177.535 177.300 -0.153 0.000 1.154 481 P CA 1.514 64.523 63.100 -0.151 0.000 0.865 481 P CB 0.143 31.783 31.700 -0.101 0.000 0.789 482 D N -2.031 118.255 120.400 -0.189 0.000 2.323 482 D HA 0.061 4.701 4.640 -0.000 0.000 0.239 482 D C 1.275 177.431 176.300 -0.240 0.000 1.129 482 D CA 0.608 54.538 54.000 -0.117 0.000 0.865 482 D CB -0.909 39.890 40.800 -0.001 0.000 0.913 482 D HN 0.247 nan 8.370 nan 0.000 0.517 483 G N 0.868 109.449 108.800 -0.365 0.000 2.189 483 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.267 483 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.267 483 G C 0.452 174.892 174.900 -0.768 0.000 0.975 483 G CA 0.685 45.498 45.100 -0.477 0.000 0.644 483 G HN 0.743 nan 8.290 nan 0.000 0.537 484 S N -0.994 114.138 115.700 -0.948 0.000 2.693 484 S HA 0.772 5.241 4.470 -0.000 0.000 0.276 484 S C -0.295 173.891 174.600 -0.690 0.000 1.192 484 S CA -0.708 56.858 58.200 -1.056 0.000 0.994 484 S CB 1.761 63.936 63.200 -1.709 0.000 1.012 484 S HN 0.502 nan 8.310 nan 0.000 0.550 485 W N 0.873 122.023 121.300 -0.250 0.000 2.781 485 W HA 0.395 5.054 4.660 -0.000 0.000 0.333 485 W C -0.665 175.886 176.519 0.053 0.000 1.047 485 W CA -1.735 55.568 57.345 -0.069 0.000 1.236 485 W CB 1.526 30.904 29.460 -0.137 0.000 1.394 485 W HN 0.767 nan 8.180 nan 0.000 0.466 486 F N 2.263 122.327 119.950 0.191 0.000 2.628 486 F HA 0.320 4.847 4.527 -0.000 0.000 0.362 486 F C 0.828 176.566 175.800 -0.104 0.000 1.148 486 F CA 0.919 58.868 58.000 -0.085 0.000 1.352 486 F CB 0.643 39.646 39.000 0.005 0.000 1.081 486 F HN 0.278 nan 8.300 nan 0.000 0.605 487 G N 5.507 113.666 108.800 -1.068 0.000 2.522 487 G HA2 0.371 4.330 3.960 -0.000 0.000 0.318 487 G HA3 0.371 4.330 3.960 -0.000 0.000 0.318 487 G C 0.256 174.672 174.900 -0.807 0.000 1.192 487 G CA -0.635 44.108 45.100 -0.595 0.000 0.988 487 G HN 0.762 nan 8.290 nan 0.000 0.480 488 R N 2.496 122.767 120.500 -0.381 0.000 2.052 488 R HA 0.048 4.388 4.340 -0.000 0.000 0.226 488 R C 0.773 176.800 176.300 -0.454 0.000 1.145 488 R CA 1.119 57.025 56.100 -0.324 0.000 0.952 488 R CB -0.227 30.015 30.300 -0.097 0.000 0.847 488 R HN 0.614 nan 8.270 nan 0.000 0.431 489 W N 0.136 121.432 121.300 -0.006 0.000 3.151 489 W HA 0.559 5.219 4.660 -0.000 0.000 0.424 489 W C 0.001 176.376 176.519 -0.239 0.000 1.012 489 W CA 0.073 57.368 57.345 -0.084 0.000 2.018 489 W CB 0.619 30.032 29.460 -0.079 0.000 1.087 489 W HN 0.232 nan 8.180 nan 0.000 0.740 490 G N -0.522 108.149 108.800 -0.215 0.000 2.698 490 G HA2 0.468 4.428 3.960 -0.000 0.000 0.293 490 G HA3 0.468 4.428 3.960 -0.000 0.000 0.293 490 G C -1.731 173.063 174.900 -0.178 0.000 1.437 490 G CA -0.814 43.839 45.100 -0.746 0.000 0.852 490 G HN -0.236 nan 8.290 nan 0.000 0.499 491 V N 2.332 122.255 119.914 0.015 0.000 2.320 491 V HA 0.440 4.560 4.120 -0.000 0.000 0.265 491 V C 0.296 176.496 176.094 0.177 0.000 1.048 491 V CA -0.399 61.992 62.300 0.152 0.000 0.865 491 V CB 0.526 32.473 31.823 0.208 0.000 1.043 491 V HN 0.849 nan 8.190 nan 0.000 0.474 492 N N 3.236 121.960 118.700 0.041 0.000 2.714 492 N HA 0.047 4.787 4.740 -0.000 0.000 0.312 492 N C 1.104 176.432 175.510 -0.304 0.000 1.297 492 N CA 0.033 52.900 53.050 -0.305 0.000 1.582 492 N CB -0.046 38.020 38.487 -0.703 0.000 0.778 492 N HN 0.261 nan 8.380 nan 0.000 1.341 493 Y N 2.116 122.356 120.300 -0.099 0.000 2.352 493 Y HA 0.231 4.781 4.550 -0.000 0.000 0.292 493 Y C 2.307 178.170 175.900 -0.062 0.000 1.136 493 Y CA 0.837 58.852 58.100 -0.142 0.000 1.227 493 Y CB -0.201 38.129 38.460 -0.217 0.000 0.991 493 Y HN 0.179 nan 8.280 nan 0.000 0.545 494 L N -1.843 119.545 121.223 0.275 0.000 2.156 494 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 494 L C 2.217 179.177 176.870 0.150 0.000 1.095 494 L CA 1.145 56.158 54.840 0.289 0.000 0.770 494 L CB -0.488 41.773 42.059 0.337 0.000 0.914 494 L HN 0.239 nan 8.230 nan 0.000 0.439 495 Y N 0.530 120.771 120.300 -0.098 0.000 2.153 495 Y HA -0.094 4.456 4.550 -0.000 0.000 0.289 495 Y C 2.249 177.877 175.900 -0.453 0.000 1.127 495 Y CA 1.402 59.160 58.100 -0.569 0.000 1.131 495 Y CB -0.731 37.283 38.460 -0.742 0.000 0.995 495 Y HN 0.028 nan 8.280 nan 0.000 0.505 496 G N -0.816 107.737 108.800 -0.411 0.000 2.453 496 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 496 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 496 G C 1.658 176.404 174.900 -0.257 0.000 1.201 496 G CA 1.641 46.506 45.100 -0.392 0.000 0.784 496 G HN 0.410 nan 8.290 nan 0.000 0.545 497 T N 1.164 115.691 114.554 -0.044 0.000 2.653 497 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 497 T C 2.444 177.115 174.700 -0.047 0.000 1.035 497 T CA 1.820 63.978 62.100 0.098 0.000 1.154 497 T CB -0.807 68.084 68.868 0.038 0.000 0.862 497 T HN 0.393 nan 8.240 nan 0.000 0.441 498 G N 0.972 109.693 108.800 -0.132 0.000 2.418 498 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.217 498 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.217 498 G C 1.825 176.581 174.900 -0.239 0.000 1.158 498 G CA 1.018 46.025 45.100 -0.156 0.000 0.771 498 G HN 0.618 nan 8.290 nan 0.000 0.545 499 A N 0.215 122.793 122.820 -0.403 0.000 1.845 499 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 499 A C 2.623 179.996 177.584 -0.352 0.000 1.195 499 A CA 2.050 53.842 52.037 -0.409 0.000 0.616 499 A CB -0.899 17.707 19.000 -0.658 0.000 0.832 499 A HN 0.267 nan 8.150 nan 0.000 0.443 500 V N -0.253 119.383 119.914 -0.463 0.000 2.214 500 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 500 V C 2.565 178.404 176.094 -0.424 0.000 1.051 500 V CA 2.263 64.191 62.300 -0.620 0.000 1.003 500 V CB -1.171 29.875 31.823 -1.296 0.000 0.635 500 V HN 0.368 nan 8.190 nan 0.000 0.447 501 V N -0.060 119.675 119.914 -0.299 0.000 2.317 501 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 501 V C 2.714 178.728 176.094 -0.134 0.000 1.065 501 V CA 2.559 64.769 62.300 -0.151 0.000 1.049 501 V CB -0.925 30.874 31.823 -0.041 0.000 0.651 501 V HN 0.650 nan 8.190 nan 0.000 0.450 502 S N -0.611 115.008 115.700 -0.134 0.000 2.368 502 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 502 S C 2.082 176.606 174.600 -0.127 0.000 1.030 502 S CA 1.628 59.769 58.200 -0.099 0.000 0.999 502 S CB -0.277 62.882 63.200 -0.069 0.000 0.844 502 S HN 0.639 nan 8.310 nan 0.000 0.459 503 A N 1.756 124.474 122.820 -0.171 0.000 1.841 503 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 503 A C 2.223 179.725 177.584 -0.137 0.000 1.195 503 A CA 1.473 53.401 52.037 -0.183 0.000 0.611 503 A CB -1.068 17.809 19.000 -0.205 0.000 0.835 503 A HN 0.556 nan 8.150 nan 0.000 0.443 504 L N -0.456 120.684 121.223 -0.137 0.000 2.051 504 L HA -0.254 4.086 4.340 -0.000 0.000 0.214 504 L C 2.697 179.539 176.870 -0.047 0.000 1.076 504 L CA 1.813 56.608 54.840 -0.075 0.000 0.758 504 L CB -0.535 41.471 42.059 -0.089 0.000 0.890 504 L HN 0.342 nan 8.230 nan 0.000 0.433 505 K N 0.644 121.004 120.400 -0.066 0.000 2.097 505 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 505 K C 2.015 178.591 176.600 -0.040 0.000 1.049 505 K CA 1.711 57.971 56.287 -0.044 0.000 0.933 505 K CB -0.166 32.306 32.500 -0.046 0.000 0.717 505 K HN 0.309 nan 8.250 nan 0.000 0.442 506 A N 0.658 123.436 122.820 -0.070 0.000 1.968 506 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 506 A C 1.824 179.386 177.584 -0.037 0.000 1.169 506 A CA 1.362 53.348 52.037 -0.086 0.000 0.638 506 A CB -0.369 18.523 19.000 -0.181 0.000 0.812 506 A HN 0.176 nan 8.150 nan 0.000 0.446 507 V N -3.233 116.679 119.914 -0.003 0.000 3.490 507 V HA 0.513 4.632 4.120 -0.000 0.000 0.315 507 V C 1.305 177.447 176.094 0.080 0.000 1.284 507 V CA 0.571 62.912 62.300 0.069 0.000 1.233 507 V CB -1.165 30.718 31.823 0.099 0.000 1.101 507 V HN 1.300 nan 8.190 nan 0.000 0.425 508 G N 0.242 109.072 108.800 0.049 0.000 2.267 508 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 508 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 508 G C 0.159 175.093 174.900 0.056 0.000 0.998 508 G CA 0.182 45.315 45.100 0.054 0.000 0.620 508 G HN 0.490 nan 8.290 nan 0.000 0.529 509 I N 1.714 122.321 120.570 0.062 0.000 3.058 509 I HA 0.072 4.241 4.170 -0.000 0.000 0.299 509 I C 0.727 176.877 176.117 0.055 0.000 1.238 509 I CA 0.015 61.361 61.300 0.076 0.000 1.423 509 I CB 0.139 38.194 38.000 0.092 0.000 1.330 509 I HN 0.286 nan 8.210 nan 0.000 0.589 510 D N 2.946 123.388 120.400 0.070 0.000 2.325 510 D HA 0.086 4.725 4.640 -0.000 0.000 0.251 510 D C 1.315 177.629 176.300 0.024 0.000 1.196 510 D CA -0.138 53.892 54.000 0.051 0.000 0.866 510 D CB 0.834 41.673 40.800 0.065 0.000 1.101 510 D HN 0.665 nan 8.370 nan 0.000 0.476 511 T N 1.326 115.881 114.554 0.002 0.000 3.051 511 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 511 T C 1.698 176.386 174.700 -0.021 0.000 1.127 511 T CA 0.574 62.658 62.100 -0.026 0.000 1.107 511 T CB -0.061 68.797 68.868 -0.016 0.000 0.898 511 T HN 0.370 nan 8.240 nan 0.000 0.517 512 R N 0.649 121.153 120.500 0.007 0.000 2.240 512 R HA 0.080 4.420 4.340 -0.000 0.000 0.203 512 R C 0.343 176.662 176.300 0.031 0.000 1.011 512 R CA 0.026 56.137 56.100 0.019 0.000 1.007 512 R CB 0.049 30.367 30.300 0.030 0.000 0.911 512 R HN 0.427 nan 8.270 nan 0.000 0.468 513 E N 0.629 120.857 120.200 0.046 0.000 2.521 513 E HA -0.127 4.223 4.350 -0.000 0.000 0.270 513 E C -1.865 174.795 176.600 0.101 0.000 1.082 513 E CA -0.675 55.798 56.400 0.123 0.000 0.997 513 E CB 0.292 30.145 29.700 0.255 0.000 0.990 513 E HN 0.113 nan 8.360 nan 0.000 0.458 514 P HA -0.157 nan 4.420 nan 0.000 0.213 514 P C 1.416 178.807 177.300 0.152 0.000 1.170 514 P CA 1.534 64.719 63.100 0.142 0.000 0.889 514 P CB -0.243 31.539 31.700 0.137 0.000 0.782 515 Y N -0.816 119.494 120.300 0.017 0.000 2.315 515 Y HA -0.162 4.387 4.550 -0.000 0.000 0.288 515 Y C 1.811 177.729 175.900 0.030 0.000 1.154 515 Y CA 0.650 58.748 58.100 -0.004 0.000 1.229 515 Y CB -1.977 36.490 38.460 0.013 0.000 0.980 515 Y HN -0.118 nan 8.280 nan 0.000 0.540 516 I N 0.653 120.910 120.570 -0.521 0.000 2.133 516 I HA -0.220 3.949 4.170 -0.000 0.000 0.238 516 I C 2.452 178.497 176.117 -0.120 0.000 1.074 516 I CA 1.250 62.315 61.300 -0.392 0.000 1.342 516 I CB -1.466 36.303 38.000 -0.386 0.000 1.053 516 I HN 0.284 nan 8.210 nan 0.000 0.404 517 Q N 0.929 120.690 119.800 -0.065 0.000 2.112 517 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 517 Q C 2.198 178.209 176.000 0.019 0.000 0.987 517 Q CA 1.585 57.387 55.803 -0.003 0.000 0.858 517 Q CB -0.597 28.150 28.738 0.016 0.000 0.905 517 Q HN 0.497 nan 8.270 nan 0.000 0.420 518 K N 0.040 120.446 120.400 0.010 0.000 2.281 518 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 518 K C 1.817 178.431 176.600 0.023 0.000 1.046 518 K CA 1.012 57.310 56.287 0.019 0.000 0.938 518 K CB 0.047 32.545 32.500 -0.003 0.000 0.737 518 K HN 0.176 nan 8.250 nan 0.000 0.458 519 A N 0.538 123.351 122.820 -0.011 0.000 1.861 519 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 519 A C 1.886 179.558 177.584 0.147 0.000 1.199 519 A CA 0.625 52.668 52.037 0.010 0.000 0.613 519 A CB -0.402 18.603 19.000 0.009 0.000 0.846 519 A HN 0.197 nan 8.150 nan 0.000 0.446 520 L N 0.702 121.985 121.223 0.101 0.000 2.013 520 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 520 L C 2.049 179.008 176.870 0.148 0.000 1.073 520 L CA 2.124 57.029 54.840 0.108 0.000 0.753 520 L CB -0.783 41.314 42.059 0.064 0.000 0.890 520 L HN 0.353 nan 8.230 nan 0.000 0.432 521 D N -1.473 119.008 120.400 0.135 0.000 2.133 521 D HA -0.277 4.363 4.640 -0.000 0.000 0.195 521 D C 1.921 178.334 176.300 0.188 0.000 0.997 521 D CA 1.403 55.483 54.000 0.133 0.000 0.840 521 D CB -0.372 40.489 40.800 0.103 0.000 0.947 521 D HN 0.497 nan 8.370 nan 0.000 0.452 522 W N 1.810 123.146 121.300 0.060 0.000 2.321 522 W HA -0.253 4.407 4.660 -0.000 0.000 0.306 522 W C 2.170 178.812 176.519 0.205 0.000 1.217 522 W CA 1.432 58.843 57.345 0.110 0.000 1.257 522 W CB -0.331 29.125 29.460 -0.006 0.000 1.145 522 W HN -0.237 nan 8.180 nan 0.000 0.509 523 V N 1.040 121.162 119.914 0.348 0.000 2.233 523 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 523 V C 2.211 178.462 176.094 0.262 0.000 1.050 523 V CA 2.506 64.915 62.300 0.181 0.000 1.010 523 V CB -1.185 30.685 31.823 0.079 0.000 0.637 523 V HN 0.202 nan 8.190 nan 0.000 0.444 524 E N -0.171 120.179 120.200 0.250 0.000 2.097 524 E HA -0.317 4.033 4.350 -0.000 0.000 0.196 524 E C 2.215 178.896 176.600 0.134 0.000 1.000 524 E CA 1.570 58.131 56.400 0.268 0.000 0.804 524 E CB -0.253 29.544 29.700 0.160 0.000 0.740 524 E HN 0.680 nan 8.360 nan 0.000 0.454 525 Q N -0.409 119.410 119.800 0.031 0.000 2.439 525 Q HA -0.137 4.203 4.340 -0.000 0.000 0.211 525 Q C 0.832 176.612 176.000 -0.367 0.000 0.978 525 Q CA 0.897 56.605 55.803 -0.158 0.000 0.897 525 Q CB 0.029 28.640 28.738 -0.212 0.000 0.956 525 Q HN 0.444 nan 8.270 nan 0.000 0.483 526 H N -1.177 117.770 119.070 -0.205 0.000 2.755 526 H HA 0.135 4.691 4.556 -0.000 0.000 0.273 526 H C -0.169 175.065 175.328 -0.156 0.000 1.055 526 H CA -0.274 55.650 56.048 -0.207 0.000 1.191 526 H CB 0.420 29.951 29.762 -0.384 0.000 1.536 526 H HN 0.105 nan 8.280 nan 0.000 0.529 527 Q N 2.133 121.828 119.800 -0.176 0.000 2.244 527 Q HA -0.030 4.310 4.340 -0.000 0.000 0.278 527 Q C -0.336 175.308 176.000 -0.594 0.000 1.093 527 Q CA -0.267 54.951 55.803 -0.974 0.000 0.916 527 Q CB 0.394 28.539 28.738 -0.989 0.000 1.159 527 Q HN 0.348 nan 8.270 nan 0.000 0.384 528 N N 5.382 123.745 118.700 -0.562 0.000 2.415 528 N HA 0.013 4.753 4.740 -0.000 0.000 0.248 528 N C -1.665 173.680 175.510 -0.275 0.000 1.271 528 N CA -0.969 51.895 53.050 -0.310 0.000 0.913 528 N CB 0.583 38.940 38.487 -0.216 0.000 1.129 528 N HN 0.559 nan 8.380 nan 0.000 0.444 529 P HA -0.179 nan 4.420 nan 0.000 0.216 529 P C 0.231 177.481 177.300 -0.083 0.000 1.150 529 P CA 1.489 64.518 63.100 -0.119 0.000 0.843 529 P CB -0.003 31.651 31.700 -0.078 0.000 0.787 530 D N -1.517 118.860 120.400 -0.039 0.000 2.379 530 D HA 0.072 4.711 4.640 -0.000 0.000 0.243 530 D C 1.510 177.886 176.300 0.126 0.000 1.088 530 D CA 0.895 54.933 54.000 0.064 0.000 0.925 530 D CB -0.919 39.977 40.800 0.160 0.000 0.888 530 D HN 0.332 nan 8.370 nan 0.000 0.529 531 G N -1.159 107.600 108.800 -0.069 0.000 2.363 531 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.238 531 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.238 531 G C 0.713 175.383 174.900 -0.384 0.000 1.062 531 G CA 0.074 45.090 45.100 -0.138 0.000 0.629 531 G HN 0.860 nan 8.290 nan 0.000 0.514 532 G N -1.435 107.078 108.800 -0.478 0.000 2.537 532 G HA2 0.501 4.460 3.960 -0.000 0.000 0.297 532 G HA3 0.501 4.460 3.960 -0.000 0.000 0.297 532 G C -0.289 174.213 174.900 -0.664 0.000 1.310 532 G CA -0.366 44.204 45.100 -0.882 0.000 1.027 532 G HN 0.286 nan 8.290 nan 0.000 0.505 533 W N -1.214 119.845 121.300 -0.402 0.000 2.706 533 W HA 0.621 5.281 4.660 -0.000 0.000 0.346 533 W C 0.040 176.444 176.519 -0.190 0.000 1.071 533 W CA -0.593 56.623 57.345 -0.214 0.000 1.206 533 W CB 2.405 31.786 29.460 -0.132 0.000 1.413 533 W HN 0.799 nan 8.180 nan 0.000 0.542 534 G N 1.299 110.174 108.800 0.125 0.000 2.746 534 G HA2 0.456 4.416 3.960 -0.000 0.000 0.297 534 G HA3 0.456 4.416 3.960 -0.000 0.000 0.297 534 G C -2.068 172.882 174.900 0.084 0.000 1.426 534 G CA -0.580 44.547 45.100 0.046 0.000 0.989 534 G HN 0.345 nan 8.290 nan 0.000 0.520 535 E N 1.474 121.712 120.200 0.064 0.000 2.302 535 E HA 0.313 4.663 4.350 -0.000 0.000 0.263 535 E C -1.402 175.190 176.600 -0.013 0.000 0.897 535 E CA -0.646 55.804 56.400 0.084 0.000 0.809 535 E CB 1.765 31.560 29.700 0.159 0.000 1.270 535 E HN 0.429 nan 8.360 nan 0.000 0.410 536 D N 2.512 122.869 120.400 -0.073 0.000 2.372 536 D HA 0.042 4.682 4.640 -0.000 0.000 0.243 536 D C 0.689 176.837 176.300 -0.254 0.000 1.121 536 D CA -0.271 53.608 54.000 -0.201 0.000 0.898 536 D CB 0.942 41.556 40.800 -0.310 0.000 1.202 536 D HN 0.512 nan 8.370 nan 0.000 0.428 537 C N 2.441 121.479 119.300 -0.437 0.000 2.409 537 C HA -0.095 4.365 4.460 -0.000 0.000 0.284 537 C C 2.320 177.065 174.990 -0.409 0.000 1.354 537 C CA 0.358 58.972 59.018 -0.673 0.000 1.787 537 C CB -1.083 25.531 27.740 -1.876 0.000 1.900 537 C HN 0.676 nan 8.230 nan 0.000 0.520 538 R N 1.439 121.730 120.500 -0.348 0.000 2.249 538 R HA -0.129 4.211 4.340 -0.000 0.000 0.230 538 R C 2.201 178.534 176.300 0.055 0.000 1.121 538 R CA 1.594 57.604 56.100 -0.151 0.000 0.997 538 R CB -0.396 29.607 30.300 -0.495 0.000 0.867 538 R HN 0.754 nan 8.270 nan 0.000 0.465 539 S N -0.512 115.197 115.700 0.016 0.000 2.537 539 S HA -0.145 4.325 4.470 -0.000 0.000 0.240 539 S C 1.340 175.974 174.600 0.057 0.000 0.981 539 S CA 0.761 59.035 58.200 0.122 0.000 0.948 539 S CB -0.234 63.008 63.200 0.069 0.000 0.759 539 S HN 0.343 nan 8.310 nan 0.000 0.531 540 Y N 1.425 121.826 120.300 0.167 0.000 2.397 540 Y HA 0.253 4.803 4.550 -0.000 0.000 0.292 540 Y C 2.674 178.705 175.900 0.218 0.000 1.115 540 Y CA 0.720 58.952 58.100 0.220 0.000 1.208 540 Y CB 0.012 38.620 38.460 0.247 0.000 1.046 540 Y HN 0.252 nan 8.280 nan 0.000 0.552 541 E N -0.079 120.326 120.200 0.341 0.000 2.045 541 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 541 E C -0.041 176.703 176.600 0.240 0.000 0.968 541 E CA 0.806 57.369 56.400 0.271 0.000 0.813 541 E CB -0.212 29.640 29.700 0.253 0.000 0.780 541 E HN 0.244 nan 8.360 nan 0.000 0.455 542 D N 1.138 121.702 120.400 0.273 0.000 2.381 542 D HA 0.093 4.733 4.640 -0.000 0.000 0.235 542 D C -1.811 174.645 176.300 0.260 0.000 1.068 542 D CA -2.319 51.835 54.000 0.258 0.000 0.832 542 D CB 1.793 42.774 40.800 0.301 0.000 1.101 542 D HN -0.224 nan 8.370 nan 0.000 0.515 543 P HA -0.146 nan 4.420 nan 0.000 0.221 543 P C 1.009 178.377 177.300 0.112 0.000 1.145 543 P CA 0.627 63.823 63.100 0.159 0.000 0.795 543 P CB 0.168 31.930 31.700 0.102 0.000 0.775 544 A N -1.102 121.742 122.820 0.040 0.000 2.125 544 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 544 A C 1.581 179.085 177.584 -0.133 0.000 1.156 544 A CA 1.039 53.023 52.037 -0.089 0.000 0.671 544 A CB -1.508 17.364 19.000 -0.214 0.000 0.794 544 A HN 0.160 nan 8.150 nan 0.000 0.459 545 Y N -0.580 119.782 120.300 0.102 0.000 2.457 545 Y HA 0.430 4.980 4.550 -0.000 0.000 0.263 545 Y C 1.504 177.494 175.900 0.149 0.000 1.164 545 Y CA -0.460 57.702 58.100 0.103 0.000 1.274 545 Y CB -0.264 38.243 38.460 0.079 0.000 1.097 545 Y HN 0.270 nan 8.280 nan 0.000 0.523 546 A N 0.604 123.609 122.820 0.307 0.000 2.507 546 A HA 0.380 4.699 4.320 -0.000 0.000 0.281 546 A C 1.619 179.408 177.584 0.342 0.000 1.154 546 A CA 1.009 53.259 52.037 0.354 0.000 0.828 546 A CB -1.245 17.817 19.000 0.103 0.000 1.069 546 A HN 0.880 nan 8.150 nan 0.000 0.522 547 G N 2.067 111.081 108.800 0.358 0.000 2.176 547 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 547 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 547 G C 0.219 175.254 174.900 0.225 0.000 0.979 547 G CA 0.669 45.888 45.100 0.199 0.000 0.641 547 G HN 0.789 nan 8.290 nan 0.000 0.530 548 K N 0.106 120.657 120.400 0.251 0.000 2.123 548 K HA 0.681 5.001 4.320 -0.000 0.000 0.259 548 K C 0.433 177.142 176.600 0.181 0.000 0.960 548 K CA 0.090 56.504 56.287 0.213 0.000 0.872 548 K CB 1.903 34.539 32.500 0.227 0.000 1.079 548 K HN 1.178 nan 8.250 nan 0.000 0.440 549 G N 0.083 108.942 108.800 0.098 0.000 2.347 549 G HA2 0.271 4.231 3.960 -0.000 0.000 0.321 549 G HA3 0.271 4.231 3.960 -0.000 0.000 0.321 549 G C -1.452 173.401 174.900 -0.079 0.000 1.412 549 G CA -0.646 44.447 45.100 -0.011 0.000 0.990 549 G HN 0.658 nan 8.290 nan 0.000 0.637 550 A N 0.475 123.174 122.820 -0.201 0.000 2.540 550 A HA 0.579 4.899 4.320 -0.000 0.000 0.239 550 A C 1.130 178.660 177.584 -0.090 0.000 1.061 550 A CA 1.020 52.967 52.037 -0.150 0.000 0.758 550 A CB -0.071 18.782 19.000 -0.245 0.000 0.991 550 A HN 1.837 nan 8.150 nan 0.000 0.502 551 S N 1.105 116.807 115.700 0.002 0.000 2.549 551 S HA 0.429 4.899 4.470 -0.000 0.000 0.283 551 S C 0.684 175.332 174.600 0.079 0.000 1.320 551 S CA 0.423 58.598 58.200 -0.040 0.000 1.058 551 S CB 0.314 63.418 63.200 -0.160 0.000 0.882 551 S HN 1.076 nan 8.310 nan 0.000 0.498 552 T N 0.639 115.185 114.554 -0.013 0.000 2.906 552 T HA 0.494 4.844 4.350 -0.000 0.000 0.295 552 T C -2.607 172.049 174.700 -0.073 0.000 1.061 552 T CA -2.220 59.915 62.100 0.059 0.000 1.000 552 T CB 1.749 70.648 68.868 0.052 0.000 1.103 552 T HN 0.094 nan 8.240 nan 0.000 0.486 553 P HA -0.199 nan 4.420 nan 0.000 0.214 553 P C 2.013 179.068 177.300 -0.409 0.000 1.163 553 P CA 2.052 65.010 63.100 -0.236 0.000 0.889 553 P CB -0.055 31.462 31.700 -0.305 0.000 0.790 554 S N -0.420 115.011 115.700 -0.448 0.000 2.344 554 S HA -0.271 4.199 4.470 -0.000 0.000 0.217 554 S C 2.073 175.858 174.600 -1.358 0.000 1.033 554 S CA 1.260 58.950 58.200 -0.850 0.000 1.017 554 S CB -1.690 61.054 63.200 -0.759 0.000 0.941 554 S HN 0.174 nan 8.310 nan 0.000 0.430 555 Q N 0.658 119.838 119.800 -1.034 0.000 2.152 555 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 555 Q C 2.436 178.264 176.000 -0.287 0.000 0.985 555 Q CA 1.948 57.402 55.803 -0.582 0.000 0.863 555 Q CB -0.783 27.870 28.738 -0.140 0.000 0.904 555 Q HN 0.666 nan 8.270 nan 0.000 0.422 556 T N 0.766 115.161 114.554 -0.264 0.000 2.674 556 T HA -0.142 4.207 4.350 -0.000 0.000 0.265 556 T C 1.920 176.517 174.700 -0.171 0.000 1.039 556 T CA 1.267 63.317 62.100 -0.083 0.000 1.150 556 T CB -0.333 68.420 68.868 -0.191 0.000 0.864 556 T HN 0.433 nan 8.240 nan 0.000 0.427 557 A N 0.822 123.455 122.820 -0.312 0.000 1.978 557 A HA -0.117 4.202 4.320 -0.000 0.000 0.220 557 A C 2.100 179.600 177.584 -0.139 0.000 1.170 557 A CA 1.264 53.152 52.037 -0.249 0.000 0.636 557 A CB -0.827 18.000 19.000 -0.288 0.000 0.810 557 A HN 0.578 nan 8.150 nan 0.000 0.448 558 W N -0.579 120.575 121.300 -0.242 0.000 2.408 558 W HA 0.048 4.708 4.660 -0.000 0.000 0.311 558 W C 2.843 179.187 176.519 -0.292 0.000 1.190 558 W CA 0.617 57.802 57.345 -0.266 0.000 1.321 558 W CB -1.416 27.893 29.460 -0.251 0.000 1.143 558 W HN 0.404 nan 8.180 nan 0.000 0.501 559 A N 0.107 122.816 122.820 -0.185 0.000 1.978 559 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 559 A C 2.043 179.281 177.584 -0.575 0.000 1.170 559 A CA 1.574 53.266 52.037 -0.575 0.000 0.636 559 A CB -0.910 17.240 19.000 -1.417 0.000 0.810 559 A HN 0.187 nan 8.150 nan 0.000 0.448 560 L N -0.761 120.209 121.223 -0.421 0.000 2.141 560 L HA -0.076 4.263 4.340 -0.000 0.000 0.209 560 L C 2.521 179.327 176.870 -0.107 0.000 1.094 560 L CA 1.749 56.452 54.840 -0.228 0.000 0.763 560 L CB -0.474 41.516 42.059 -0.115 0.000 0.908 560 L HN 0.433 nan 8.230 nan 0.000 0.437 561 M N -2.015 117.542 119.600 -0.072 0.000 2.200 561 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 561 M C 2.265 178.544 176.300 -0.035 0.000 1.066 561 M CA 1.372 56.662 55.300 -0.016 0.000 1.127 561 M CB -0.481 32.136 32.600 0.027 0.000 1.379 561 M HN 0.313 nan 8.290 nan 0.000 0.420 562 A N 0.794 123.571 122.820 -0.072 0.000 1.933 562 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 562 A C 2.097 179.657 177.584 -0.039 0.000 1.175 562 A CA 1.397 53.398 52.037 -0.059 0.000 0.628 562 A CB -0.823 18.138 19.000 -0.064 0.000 0.814 562 A HN 0.445 nan 8.150 nan 0.000 0.444 563 L N -0.757 120.432 121.223 -0.056 0.000 2.044 563 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 563 L C 2.454 179.342 176.870 0.030 0.000 1.075 563 L CA 1.039 55.875 54.840 -0.006 0.000 0.747 563 L CB -0.539 41.519 42.059 -0.002 0.000 0.903 563 L HN 0.330 nan 8.230 nan 0.000 0.435 564 I N 0.274 120.867 120.570 0.039 0.000 2.264 564 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 564 I C 2.801 178.939 176.117 0.035 0.000 1.111 564 I CA 1.193 62.534 61.300 0.068 0.000 1.382 564 I CB -0.487 37.566 38.000 0.088 0.000 1.060 564 I HN 0.225 nan 8.210 nan 0.000 0.418 565 A N 0.875 123.703 122.820 0.013 0.000 1.873 565 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 565 A C 2.291 179.872 177.584 -0.004 0.000 1.186 565 A CA 1.661 53.697 52.037 -0.003 0.000 0.616 565 A CB -1.263 17.724 19.000 -0.022 0.000 0.823 565 A HN 0.450 nan 8.150 nan 0.000 0.442 566 G N -1.927 106.873 108.800 0.000 0.000 2.990 566 G HA2 0.345 4.305 3.960 -0.000 0.000 0.206 566 G HA3 0.345 4.305 3.960 -0.000 0.000 0.206 566 G C 1.218 176.127 174.900 0.015 0.000 1.169 566 G CA 0.645 45.746 45.100 0.002 0.000 0.819 566 G HN 1.637 nan 8.290 nan 0.000 0.517 567 G N 0.421 109.234 108.800 0.022 0.000 2.267 567 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 567 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 567 G C 1.162 176.089 174.900 0.044 0.000 0.998 567 G CA 0.338 45.455 45.100 0.028 0.000 0.620 567 G HN 0.563 nan 8.290 nan 0.000 0.529 568 R N 0.893 121.424 120.500 0.053 0.000 2.526 568 R HA 0.440 4.780 4.340 -0.000 0.000 0.223 568 R C 2.510 178.873 176.300 0.106 0.000 1.250 568 R CA 0.570 56.713 56.100 0.073 0.000 1.227 568 R CB -0.245 30.098 30.300 0.072 0.000 1.109 568 R HN 0.514 nan 8.270 nan 0.000 0.499 569 A N 1.417 124.303 122.820 0.110 0.000 1.902 569 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 569 A C 1.425 179.152 177.584 0.237 0.000 1.181 569 A CA 0.968 53.117 52.037 0.185 0.000 0.623 569 A CB -0.075 18.999 19.000 0.123 0.000 0.818 569 A HN 0.372 nan 8.150 nan 0.000 0.443 570 E N 0.445 120.728 120.200 0.137 0.000 2.122 570 E HA 0.348 4.698 4.350 -0.000 0.000 0.288 570 E C -0.268 176.406 176.600 0.123 0.000 1.260 570 E CA -0.190 56.287 56.400 0.129 0.000 1.344 570 E CB -0.165 29.575 29.700 0.066 0.000 1.337 570 E HN 0.398 nan 8.360 nan 0.000 0.484 571 S N 1.073 116.864 115.700 0.151 0.000 2.740 571 S HA 0.221 4.690 4.470 -0.000 0.000 0.300 571 S C 0.651 175.323 174.600 0.120 0.000 1.147 571 S CA -0.617 57.655 58.200 0.119 0.000 0.871 571 S CB 1.604 64.873 63.200 0.114 0.000 1.173 571 S HN 0.380 nan 8.310 nan 0.000 0.510 572 E N 1.438 121.693 120.200 0.092 0.000 2.005 572 E HA 0.143 4.492 4.350 -0.000 0.000 0.191 572 E C 2.082 178.728 176.600 0.078 0.000 0.987 572 E CA 2.149 58.593 56.400 0.073 0.000 0.814 572 E CB -0.937 28.791 29.700 0.047 0.000 0.772 572 E HN 0.677 nan 8.360 nan 0.000 0.453 573 A N 0.988 123.861 122.820 0.088 0.000 1.958 573 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 573 A C 2.395 180.105 177.584 0.210 0.000 1.178 573 A CA 2.677 54.783 52.037 0.116 0.000 0.642 573 A CB -1.189 17.932 19.000 0.202 0.000 0.816 573 A HN 0.405 nan 8.150 nan 0.000 0.453 574 A N -0.518 122.420 122.820 0.197 0.000 1.845 574 A HA -0.157 4.162 4.320 -0.000 0.000 0.215 574 A C 2.264 179.885 177.584 0.061 0.000 1.195 574 A CA 1.811 53.951 52.037 0.172 0.000 0.616 574 A CB -0.543 18.566 19.000 0.182 0.000 0.832 574 A HN 0.551 nan 8.150 nan 0.000 0.443 575 R N -0.900 119.652 120.500 0.087 0.000 2.096 575 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 575 R C 2.437 178.755 176.300 0.030 0.000 1.127 575 R CA 1.139 57.275 56.100 0.059 0.000 0.968 575 R CB -0.209 30.181 30.300 0.150 0.000 0.861 575 R HN 0.387 nan 8.270 nan 0.000 0.440 576 R N -0.364 120.158 120.500 0.037 0.000 2.094 576 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 576 R C 2.268 178.573 176.300 0.009 0.000 1.137 576 R CA 1.777 57.880 56.100 0.005 0.000 0.943 576 R CB -1.031 29.240 30.300 -0.048 0.000 0.850 576 R HN 0.443 nan 8.270 nan 0.000 0.433 577 G N 0.448 109.259 108.800 0.020 0.000 2.418 577 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 577 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 577 G C 1.588 176.545 174.900 0.095 0.000 1.158 577 G CA 0.911 46.064 45.100 0.088 0.000 0.771 577 G HN 0.185 nan 8.290 nan 0.000 0.545 578 V N 0.611 120.511 119.914 -0.024 0.000 2.392 578 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 578 V C 2.770 178.907 176.094 0.071 0.000 1.059 578 V CA 2.283 64.529 62.300 -0.090 0.000 1.051 578 V CB -0.564 31.033 31.823 -0.377 0.000 0.658 578 V HN 0.391 nan 8.190 nan 0.000 0.455 579 Q N -0.276 119.574 119.800 0.084 0.000 2.030 579 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 579 Q C 2.095 178.184 176.000 0.149 0.000 0.986 579 Q CA 2.317 58.185 55.803 0.109 0.000 0.843 579 Q CB -0.777 28.008 28.738 0.078 0.000 0.904 579 Q HN 0.709 nan 8.270 nan 0.000 0.420 580 Y N 0.315 120.635 120.300 0.034 0.000 2.069 580 Y HA -0.292 4.258 4.550 -0.000 0.000 0.278 580 Y C 1.747 177.727 175.900 0.132 0.000 1.175 580 Y CA 2.191 60.322 58.100 0.052 0.000 1.134 580 Y CB -0.434 38.032 38.460 0.010 0.000 0.965 580 Y HN 0.184 nan 8.280 nan 0.000 0.498 581 L N -1.248 120.246 121.223 0.452 0.000 2.017 581 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 581 L C 2.383 179.563 176.870 0.517 0.000 1.073 581 L CA 1.338 56.464 54.840 0.475 0.000 0.745 581 L CB -0.982 41.226 42.059 0.248 0.000 0.894 581 L HN 0.123 nan 8.230 nan 0.000 0.432 582 V N -0.095 120.008 119.914 0.314 0.000 2.392 582 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 582 V C 2.349 178.505 176.094 0.103 0.000 1.059 582 V CA 1.798 64.231 62.300 0.221 0.000 1.051 582 V CB -0.526 31.401 31.823 0.175 0.000 0.658 582 V HN 0.480 nan 8.190 nan 0.000 0.455 583 E N 0.515 120.751 120.200 0.059 0.000 2.014 583 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 583 E C 2.352 178.904 176.600 -0.080 0.000 0.980 583 E CA 1.579 57.959 56.400 -0.034 0.000 0.807 583 E CB -0.520 29.137 29.700 -0.072 0.000 0.770 583 E HN 0.746 nan 8.360 nan 0.000 0.451 584 T N -0.162 114.323 114.554 -0.115 0.000 2.869 584 T HA -0.248 4.102 4.350 -0.000 0.000 0.270 584 T C 1.154 175.807 174.700 -0.077 0.000 1.082 584 T CA 0.640 62.679 62.100 -0.103 0.000 1.123 584 T CB -0.290 68.464 68.868 -0.190 0.000 0.856 584 T HN 0.070 nan 8.240 nan 0.000 0.499 585 Q N 1.388 121.072 119.800 -0.193 0.000 2.369 585 Q HA 0.038 4.378 4.340 -0.000 0.000 0.295 585 Q C -0.124 175.548 176.000 -0.547 0.000 1.075 585 Q CA -0.035 55.225 55.803 -0.904 0.000 0.941 585 Q CB 0.481 28.644 28.738 -0.958 0.000 1.260 585 Q HN 0.511 nan 8.270 nan 0.000 0.417 586 R N 3.419 123.566 120.500 -0.587 0.000 2.543 586 R HA 0.156 4.495 4.340 -0.000 0.000 0.268 586 R C -1.703 174.401 176.300 -0.328 0.000 1.067 586 R CA -1.712 54.175 56.100 -0.356 0.000 1.142 586 R CB 0.118 30.236 30.300 -0.303 0.000 1.110 586 R HN 0.560 nan 8.270 nan 0.000 0.549 587 P HA -0.177 nan 4.420 nan 0.000 0.219 587 P C 0.348 177.533 177.300 -0.192 0.000 1.146 587 P CA 1.255 64.248 63.100 -0.179 0.000 0.808 587 P CB 0.122 31.746 31.700 -0.127 0.000 0.779 588 D N -2.027 118.223 120.400 -0.250 0.000 2.347 588 D HA 0.020 4.660 4.640 -0.000 0.000 0.213 588 D C 1.481 177.570 176.300 -0.352 0.000 0.985 588 D CA 1.055 54.897 54.000 -0.263 0.000 0.879 588 D CB -0.524 40.096 40.800 -0.300 0.000 0.919 588 D HN 0.242 nan 8.370 nan 0.000 0.526 589 G N -0.247 108.295 108.800 -0.430 0.000 2.213 589 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.226 589 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.226 589 G C 0.741 175.288 174.900 -0.587 0.000 0.992 589 G CA 0.219 45.068 45.100 -0.417 0.000 0.632 589 G HN 0.761 nan 8.290 nan 0.000 0.511 590 G N -1.481 106.826 108.800 -0.823 0.000 2.514 590 G HA2 0.467 4.427 3.960 -0.000 0.000 0.245 590 G HA3 0.467 4.427 3.960 -0.000 0.000 0.245 590 G C -0.234 174.545 174.900 -0.201 0.000 1.488 590 G CA 0.125 44.939 45.100 -0.477 0.000 1.063 590 G HN 0.504 nan 8.290 nan 0.000 0.557 591 W N -1.439 119.958 121.300 0.161 0.000 3.419 591 W HA 0.286 4.946 4.660 -0.000 0.000 0.298 591 W C -1.484 175.050 176.519 0.024 0.000 1.260 591 W CA -0.602 56.777 57.345 0.057 0.000 1.199 591 W CB 1.761 31.250 29.460 0.048 0.000 1.349 591 W HN 0.381 nan 8.180 nan 0.000 0.557 592 D N 1.345 121.901 120.400 0.259 0.000 2.268 592 D HA 0.359 4.998 4.640 -0.000 0.000 0.249 592 D C -0.778 175.607 176.300 0.142 0.000 1.008 592 D CA -0.132 53.957 54.000 0.148 0.000 0.939 592 D CB 2.258 43.112 40.800 0.090 0.000 1.170 592 D HN 0.313 nan 8.370 nan 0.000 0.468 593 E N 1.322 121.575 120.200 0.089 0.000 2.712 593 E HA 0.116 4.466 4.350 -0.000 0.000 0.372 593 E C -2.182 174.445 176.600 0.044 0.000 1.058 593 E CA -1.038 55.420 56.400 0.097 0.000 0.747 593 E CB 1.359 31.118 29.700 0.098 0.000 1.596 593 E HN 0.110 nan 8.360 nan 0.000 0.380 594 P HA -0.032 nan 4.420 nan 0.000 0.239 594 P C -0.485 176.587 177.300 -0.379 0.000 1.184 594 P CA 0.512 63.440 63.100 -0.286 0.000 0.760 594 P CB -0.074 31.343 31.700 -0.472 0.000 0.884 595 Y N -1.310 119.079 120.300 0.148 0.000 2.650 595 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 595 Y C 0.559 176.668 175.900 0.349 0.000 1.082 595 Y CA -1.265 56.939 58.100 0.174 0.000 1.171 595 Y CB 0.435 38.964 38.460 0.115 0.000 1.326 595 Y HN -0.254 nan 8.280 nan 0.000 0.513 596 Y N 0.279 120.739 120.300 0.267 0.000 2.320 596 Y HA 0.293 4.843 4.550 -0.000 0.000 0.334 596 Y C 0.956 176.954 175.900 0.163 0.000 1.055 596 Y CA -1.338 56.868 58.100 0.177 0.000 1.143 596 Y CB 1.417 39.967 38.460 0.151 0.000 1.193 596 Y HN 0.648 nan 8.280 nan 0.000 0.477 597 T N -1.497 113.245 114.554 0.314 0.000 3.091 597 T HA 0.413 4.762 4.350 -0.000 0.000 0.277 597 T C 0.493 175.409 174.700 0.359 0.000 0.996 597 T CA -0.056 62.245 62.100 0.335 0.000 0.897 597 T CB -0.053 69.001 68.868 0.310 0.000 1.109 597 T HN 0.665 nan 8.240 nan 0.000 0.534 598 G N 0.293 109.263 108.800 0.284 0.000 2.432 598 G HA2 0.578 4.538 3.960 -0.000 0.000 0.331 598 G HA3 0.578 4.538 3.960 -0.000 0.000 0.331 598 G C -1.156 173.882 174.900 0.229 0.000 1.170 598 G CA -0.577 44.696 45.100 0.289 0.000 0.943 598 G HN 0.187 nan 8.290 nan 0.000 0.483 599 T N 0.489 115.126 114.554 0.138 0.000 2.841 599 T HA 0.522 4.872 4.350 -0.000 0.000 0.285 599 T C 1.114 175.708 174.700 -0.176 0.000 0.991 599 T CA 0.233 62.312 62.100 -0.033 0.000 0.966 599 T CB 1.833 70.600 68.868 -0.169 0.000 0.962 599 T HN 0.631 nan 8.240 nan 0.000 0.438 600 G N 1.716 110.322 108.800 -0.323 0.000 2.497 600 G HA2 0.319 4.279 3.960 -0.000 0.000 0.210 600 G HA3 0.319 4.279 3.960 -0.000 0.000 0.210 600 G C -0.319 173.929 174.900 -1.088 0.000 1.177 600 G CA 0.314 45.108 45.100 -0.511 0.000 0.822 600 G HN 0.540 nan 8.290 nan 0.000 0.550 601 F N 0.010 119.684 119.950 -0.461 0.000 2.588 601 F HA 0.459 4.986 4.527 -0.000 0.000 0.314 601 F C -2.633 172.750 175.800 -0.694 0.000 1.134 601 F CA -2.807 54.862 58.000 -0.551 0.000 0.961 601 F CB 2.147 40.866 39.000 -0.468 0.000 1.239 601 F HN -0.207 nan 8.300 nan 0.000 0.448 602 P HA 0.195 nan 4.420 nan 0.000 0.262 602 P C 0.755 177.872 177.300 -0.306 0.000 1.199 602 P CA 1.218 63.979 63.100 -0.565 0.000 0.763 602 P CB 0.556 32.224 31.700 -0.054 0.000 0.790 603 G N 3.139 111.798 108.800 -0.234 0.000 2.189 603 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.267 603 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.267 603 G C 0.779 175.664 174.900 -0.025 0.000 0.975 603 G CA 0.469 45.623 45.100 0.090 0.000 0.644 603 G HN 0.497 nan 8.290 nan 0.000 0.537 604 D N -1.874 118.347 120.400 -0.299 0.000 2.461 604 D HA 0.288 4.928 4.640 -0.000 0.000 0.266 604 D C -0.218 176.038 176.300 -0.074 0.000 1.085 604 D CA 0.236 54.095 54.000 -0.235 0.000 0.887 604 D CB 0.654 41.092 40.800 -0.603 0.000 1.309 604 D HN 0.235 nan 8.370 nan 0.000 0.498 605 F N 1.250 120.897 119.950 -0.505 0.000 2.617 605 F HA 0.337 4.863 4.527 -0.000 0.000 0.325 605 F C -1.662 173.806 175.800 -0.553 0.000 1.179 605 F CA -0.820 57.017 58.000 -0.271 0.000 0.965 605 F CB 0.997 39.993 39.000 -0.007 0.000 1.232 605 F HN -0.306 nan 8.300 nan 0.000 0.461 606 Y N 5.478 125.645 120.300 -0.221 0.000 2.429 606 Y HA 0.745 5.295 4.550 -0.000 0.000 0.342 606 Y C -0.582 175.210 175.900 -0.180 0.000 1.004 606 Y CA -1.019 57.020 58.100 -0.102 0.000 1.075 606 Y CB 1.696 40.216 38.460 0.100 0.000 1.214 606 Y HN 0.360 nan 8.280 nan 0.000 0.455 607 L N 1.523 122.703 121.223 -0.071 0.000 2.323 607 L HA 0.882 5.222 4.340 -0.000 0.000 0.265 607 L C 0.171 176.617 176.870 -0.707 0.000 1.012 607 L CA -1.204 53.377 54.840 -0.432 0.000 0.820 607 L CB 2.229 44.084 42.059 -0.340 0.000 1.334 607 L HN 0.821 nan 8.230 nan 0.000 0.427 608 G N 0.335 108.500 108.800 -1.058 0.000 2.605 608 G HA2 0.521 4.480 3.960 -0.000 0.000 0.304 608 G HA3 0.521 4.480 3.960 -0.000 0.000 0.304 608 G C -1.504 173.123 174.900 -0.455 0.000 1.333 608 G CA -0.202 44.423 45.100 -0.790 0.000 0.973 608 G HN 0.299 nan 8.290 nan 0.000 0.507 609 Y N 2.541 122.578 120.300 -0.439 0.000 2.504 609 Y HA 0.193 4.743 4.550 -0.000 0.000 0.351 609 Y C 2.079 177.851 175.900 -0.213 0.000 0.988 609 Y CA -0.277 57.559 58.100 -0.441 0.000 1.239 609 Y CB 1.253 39.007 38.460 -1.177 0.000 1.128 609 Y HN 0.558 nan 8.280 nan 0.000 0.525 610 T N 2.463 117.018 114.554 0.001 0.000 2.685 610 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 610 T C 2.026 176.820 174.700 0.157 0.000 1.034 610 T CA 1.477 63.615 62.100 0.064 0.000 1.149 610 T CB -0.058 68.835 68.868 0.041 0.000 0.860 610 T HN 0.539 nan 8.240 nan 0.000 0.449 611 M N -0.199 119.543 119.600 0.236 0.000 2.200 611 M HA 0.024 4.504 4.480 -0.000 0.000 0.265 611 M C 1.973 178.438 176.300 0.275 0.000 1.066 611 M CA 1.105 56.577 55.300 0.287 0.000 1.127 611 M CB -1.236 31.496 32.600 0.220 0.000 1.379 611 M HN 0.240 nan 8.290 nan 0.000 0.420 612 Y N 1.627 122.000 120.300 0.123 0.000 2.096 612 Y HA -0.308 4.242 4.550 -0.000 0.000 0.276 612 Y C 2.577 178.504 175.900 0.045 0.000 1.209 612 Y CA 2.104 60.323 58.100 0.198 0.000 1.137 612 Y CB -1.345 37.331 38.460 0.360 0.000 0.956 612 Y HN 0.408 nan 8.280 nan 0.000 0.506 613 R N -0.597 119.944 120.500 0.069 0.000 2.200 613 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 613 R C 1.335 177.551 176.300 -0.141 0.000 1.127 613 R CA 1.917 57.936 56.100 -0.135 0.000 0.989 613 R CB -0.645 29.529 30.300 -0.211 0.000 0.869 613 R HN 0.439 nan 8.270 nan 0.000 0.459 614 H N 0.129 119.320 119.070 0.200 0.000 2.393 614 H HA 0.136 4.691 4.556 -0.000 0.000 0.307 614 H C 2.447 177.808 175.328 0.056 0.000 1.038 614 H CA 0.961 57.167 56.048 0.263 0.000 1.351 614 H CB -0.257 29.689 29.762 0.305 0.000 1.464 614 H HN 0.004 nan 8.280 nan 0.000 0.575 615 V N 1.461 121.385 119.914 0.018 0.000 2.233 615 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 615 V C 2.370 178.269 176.094 -0.326 0.000 1.050 615 V CA 1.879 64.018 62.300 -0.268 0.000 1.010 615 V CB -0.899 30.612 31.823 -0.519 0.000 0.637 615 V HN 0.096 nan 8.190 nan 0.000 0.444 616 F N 0.154 119.982 119.950 -0.204 0.000 2.134 616 F HA -0.037 4.490 4.527 -0.000 0.000 0.299 616 F C 0.114 175.744 175.800 -0.282 0.000 1.097 616 F CA 1.507 59.364 58.000 -0.239 0.000 1.264 616 F CB -2.210 36.613 39.000 -0.295 0.000 1.001 616 F HN 0.278 nan 8.300 nan 0.000 0.479 617 P HA -0.102 nan 4.420 nan 0.000 0.217 617 P C 1.611 178.767 177.300 -0.239 0.000 1.150 617 P CA 1.960 64.776 63.100 -0.472 0.000 0.832 617 P CB -0.176 30.767 31.700 -1.262 0.000 0.787 618 T N -0.225 114.264 114.554 -0.108 0.000 2.777 618 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 618 T C 1.672 176.347 174.700 -0.041 0.000 1.040 618 T CA 0.883 62.989 62.100 0.009 0.000 1.141 618 T CB -0.882 68.000 68.868 0.024 0.000 0.868 618 T HN 0.011 nan 8.240 nan 0.000 0.444 619 L N 1.363 122.536 121.223 -0.085 0.000 2.046 619 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 619 L C 2.588 179.449 176.870 -0.014 0.000 1.077 619 L CA 1.852 56.650 54.840 -0.071 0.000 0.747 619 L CB -0.888 41.123 42.059 -0.079 0.000 0.896 619 L HN 0.210 nan 8.230 nan 0.000 0.432 620 A N -0.360 122.456 122.820 -0.006 0.000 1.877 620 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 620 A C 2.236 179.822 177.584 0.003 0.000 1.186 620 A CA 2.007 54.042 52.037 -0.003 0.000 0.620 620 A CB -0.973 17.999 19.000 -0.046 0.000 0.822 620 A HN 0.497 nan 8.150 nan 0.000 0.443 621 L N -0.677 120.540 121.223 -0.010 0.000 2.083 621 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 621 L C 2.821 179.688 176.870 -0.007 0.000 1.083 621 L CA 1.120 55.963 54.840 0.005 0.000 0.752 621 L CB -0.967 41.126 42.059 0.058 0.000 0.899 621 L HN 0.507 nan 8.230 nan 0.000 0.433 622 G N -0.208 108.592 108.800 -0.001 0.000 2.422 622 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 622 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 622 G C 1.787 176.681 174.900 -0.010 0.000 1.146 622 G CA 0.371 45.465 45.100 -0.010 0.000 0.769 622 G HN 0.294 nan 8.290 nan 0.000 0.547 623 R N -1.436 119.071 120.500 0.011 0.000 2.153 623 R HA 0.045 4.385 4.340 -0.000 0.000 0.218 623 R C 2.171 178.495 176.300 0.040 0.000 1.072 623 R CA 0.615 56.730 56.100 0.025 0.000 0.990 623 R CB -0.294 30.031 30.300 0.042 0.000 0.889 623 R HN 0.475 nan 8.270 nan 0.000 0.452 624 Y N 1.793 122.026 120.300 -0.112 0.000 2.184 624 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 624 Y C 2.105 177.887 175.900 -0.198 0.000 1.129 624 Y CA 1.345 59.358 58.100 -0.146 0.000 1.144 624 Y CB -0.006 38.334 38.460 -0.200 0.000 0.995 624 Y HN -0.216 nan 8.280 nan 0.000 0.513 625 K N -0.240 120.010 120.400 -0.251 0.000 2.442 625 K HA -0.158 4.162 4.320 -0.000 0.000 0.198 625 K C 1.732 178.256 176.600 -0.127 0.000 1.044 625 K CA 0.930 57.054 56.287 -0.272 0.000 0.948 625 K CB 0.120 32.522 32.500 -0.164 0.000 0.762 625 K HN 0.382 nan 8.250 nan 0.000 0.472 626 Q N -0.403 119.336 119.800 -0.102 0.000 2.089 626 Q HA 0.023 4.362 4.340 -0.000 0.000 0.195 626 Q C 1.952 177.908 176.000 -0.073 0.000 0.963 626 Q CA 1.185 56.954 55.803 -0.056 0.000 0.834 626 Q CB -0.173 28.549 28.738 -0.026 0.000 0.906 626 Q HN 0.346 nan 8.270 nan 0.000 0.452 627 A N -0.118 122.638 122.820 -0.106 0.000 2.259 627 A HA -0.068 4.251 4.320 -0.000 0.000 0.212 627 A C 1.413 178.922 177.584 -0.126 0.000 1.178 627 A CA 1.013 52.988 52.037 -0.103 0.000 0.734 627 A CB -0.195 18.743 19.000 -0.102 0.000 0.774 627 A HN 0.253 nan 8.150 nan 0.000 0.481 628 I N -2.934 117.554 120.570 -0.137 0.000 3.620 628 I HA 0.499 4.669 4.170 -0.000 0.000 0.255 628 I C 0.844 176.940 176.117 -0.034 0.000 1.124 628 I CA 1.467 62.712 61.300 -0.093 0.000 1.526 628 I CB 0.287 38.214 38.000 -0.122 0.000 1.681 628 I HN 0.275 nan 8.210 nan 0.000 0.420 629 E N 0.000 120.191 120.200 -0.014 0.000 2.725 629 E HA 0.000 4.350 4.350 -0.000 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