REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3sqc_1_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 VYYPDVCDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.479 177.584 -0.174 0.000 1.274 10 A CA 0.000 51.918 52.037 -0.198 0.000 0.836 10 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 11 Y N 0.657 121.000 120.300 0.073 0.000 2.509 11 Y HA 0.465 5.015 4.550 -0.000 0.000 0.293 11 Y C 2.257 178.208 175.900 0.085 0.000 1.133 11 Y CA 0.841 58.986 58.100 0.076 0.000 1.283 11 Y CB -1.237 37.271 38.460 0.081 0.000 1.001 11 Y HN 0.410 nan 8.280 nan 0.000 0.555 12 A N 1.839 124.528 122.820 -0.219 0.000 1.884 12 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 12 A C 2.481 180.102 177.584 0.062 0.000 1.197 12 A CA 2.335 54.365 52.037 -0.011 0.000 0.637 12 A CB -0.904 18.011 19.000 -0.141 0.000 0.827 12 A HN 0.527 nan 8.150 nan 0.000 0.450 13 R N -1.268 119.238 120.500 0.010 0.000 2.115 13 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 13 R C 2.189 178.514 176.300 0.041 0.000 1.111 13 R CA 1.720 57.831 56.100 0.018 0.000 0.976 13 R CB -0.451 29.842 30.300 -0.011 0.000 0.870 13 R HN 0.587 nan 8.270 nan 0.000 0.445 14 T N 1.461 116.060 114.554 0.075 0.000 2.708 14 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 14 T C 1.778 176.565 174.700 0.146 0.000 1.037 14 T CA 1.061 63.219 62.100 0.097 0.000 1.146 14 T CB -0.133 68.839 68.868 0.174 0.000 0.865 14 T HN 0.179 nan 8.240 nan 0.000 0.435 15 L N 0.827 122.170 121.223 0.201 0.000 2.017 15 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 15 L C 2.492 179.447 176.870 0.141 0.000 1.073 15 L CA 1.480 56.441 54.840 0.202 0.000 0.745 15 L CB -0.450 41.745 42.059 0.227 0.000 0.894 15 L HN 0.214 nan 8.230 nan 0.000 0.432 16 D N -0.307 120.157 120.400 0.107 0.000 2.116 16 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 16 D C 2.281 178.619 176.300 0.063 0.000 0.998 16 D CA 1.314 55.360 54.000 0.077 0.000 0.836 16 D CB -0.136 40.697 40.800 0.055 0.000 0.951 16 D HN 0.287 nan 8.370 nan 0.000 0.449 17 R N 0.454 120.978 120.500 0.039 0.000 2.096 17 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 17 R C 2.292 178.610 176.300 0.030 0.000 1.127 17 R CA 1.110 57.212 56.100 0.003 0.000 0.968 17 R CB -0.170 30.089 30.300 -0.069 0.000 0.861 17 R HN 0.102 nan 8.270 nan 0.000 0.440 18 A N 0.564 123.427 122.820 0.071 0.000 1.873 18 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 18 A C 2.328 180.024 177.584 0.187 0.000 1.186 18 A CA 1.241 53.383 52.037 0.175 0.000 0.616 18 A CB -0.552 18.656 19.000 0.347 0.000 0.823 18 A HN 0.096 nan 8.150 nan 0.000 0.442 19 V N 1.458 121.451 119.914 0.131 0.000 2.255 19 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 19 V C 2.624 178.768 176.094 0.084 0.000 1.051 19 V CA 2.481 64.834 62.300 0.088 0.000 1.018 19 V CB -1.135 30.729 31.823 0.069 0.000 0.641 19 V HN 0.916 nan 8.190 nan 0.000 0.445 20 E N -0.492 119.760 120.200 0.086 0.000 2.204 20 E HA -0.308 4.042 4.350 -0.000 0.000 0.195 20 E C 2.189 178.838 176.600 0.081 0.000 0.990 20 E CA 1.877 58.320 56.400 0.071 0.000 0.821 20 E CB -0.568 29.168 29.700 0.059 0.000 0.750 20 E HN 0.691 nan 8.360 nan 0.000 0.477 21 Y N 1.646 121.938 120.300 -0.015 0.000 2.220 21 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 21 Y C 2.009 177.905 175.900 -0.005 0.000 1.129 21 Y CA 1.157 59.232 58.100 -0.043 0.000 1.161 21 Y CB -0.086 38.318 38.460 -0.093 0.000 0.997 21 Y HN -0.025 nan 8.280 nan 0.000 0.522 22 L N -0.510 120.717 121.223 0.006 0.000 2.046 22 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 22 L C 2.306 179.283 176.870 0.179 0.000 1.077 22 L CA 1.362 56.208 54.840 0.010 0.000 0.747 22 L CB -0.605 41.448 42.059 -0.010 0.000 0.896 22 L HN 0.296 nan 8.230 nan 0.000 0.432 23 L N -0.608 120.679 121.223 0.106 0.000 2.201 23 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 23 L C 2.763 179.588 176.870 -0.075 0.000 1.105 23 L CA 1.246 56.133 54.840 0.078 0.000 0.775 23 L CB -0.504 41.573 42.059 0.030 0.000 0.913 23 L HN 0.367 nan 8.230 nan 0.000 0.440 24 S N -1.794 113.827 115.700 -0.133 0.000 2.461 24 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 24 S C 1.935 176.379 174.600 -0.260 0.000 1.005 24 S CA 0.623 58.708 58.200 -0.192 0.000 0.942 24 S CB -0.634 62.456 63.200 -0.185 0.000 0.776 24 S HN 0.424 nan 8.310 nan 0.000 0.514 25 C N 1.326 120.457 119.300 -0.282 0.000 2.495 25 C HA 0.242 4.702 4.460 -0.000 0.000 0.275 25 C C 1.499 176.301 174.990 -0.313 0.000 1.392 25 C CA -0.389 58.483 59.018 -0.243 0.000 1.766 25 C CB -1.368 26.269 27.740 -0.171 0.000 1.933 25 C HN 0.729 nan 8.230 nan 0.000 0.519 26 Q N 1.605 121.079 119.800 -0.544 0.000 2.361 26 Q HA 0.069 4.409 4.340 -0.000 0.000 0.276 26 Q C -0.269 175.270 176.000 -0.768 0.000 1.022 26 Q CA 0.598 55.703 55.803 -1.163 0.000 0.898 26 Q CB 0.576 28.454 28.738 -1.433 0.000 1.246 26 Q HN 0.294 nan 8.270 nan 0.000 0.410 27 K N 2.338 122.208 120.400 -0.884 0.000 2.102 27 K HA 0.081 4.401 4.320 -0.000 0.000 0.244 27 K C 0.138 176.374 176.600 -0.607 0.000 1.021 27 K CA 0.000 55.860 56.287 -0.713 0.000 0.913 27 K CB 0.579 32.475 32.500 -1.007 0.000 1.062 27 K HN 0.594 nan 8.250 nan 0.000 0.485 28 D N 0.710 120.865 120.400 -0.408 0.000 2.144 28 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 28 D C 0.949 177.091 176.300 -0.264 0.000 0.984 28 D CA 1.270 55.100 54.000 -0.283 0.000 0.834 28 D CB 0.123 40.817 40.800 -0.177 0.000 0.955 28 D HN 0.502 nan 8.370 nan 0.000 0.465 29 E N -0.557 119.477 120.200 -0.277 0.000 2.265 29 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 29 E C 1.659 178.141 176.600 -0.197 0.000 0.996 29 E CA 1.187 57.511 56.400 -0.127 0.000 0.832 29 E CB -0.157 29.593 29.700 0.083 0.000 0.756 29 E HN 0.366 nan 8.360 nan 0.000 0.491 30 G N -1.183 107.329 108.800 -0.480 0.000 2.229 30 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.189 30 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.189 30 G C -0.051 174.449 174.900 -0.667 0.000 1.000 30 G CA -0.097 44.721 45.100 -0.470 0.000 0.663 30 G HN 0.306 nan 8.290 nan 0.000 0.493 31 Y N -0.766 118.990 120.300 -0.907 0.000 2.519 31 Y HA 0.849 5.399 4.550 -0.000 0.000 0.324 31 Y C 0.124 175.670 175.900 -0.589 0.000 1.214 31 Y CA -2.585 54.968 58.100 -0.912 0.000 1.260 31 Y CB 0.987 38.405 38.460 -1.736 0.000 1.311 31 Y HN 0.079 nan 8.280 nan 0.000 0.505 32 W N 1.238 122.459 121.300 -0.131 0.000 2.627 32 W HA 0.327 4.987 4.660 -0.000 0.000 0.339 32 W C -1.721 174.937 176.519 0.232 0.000 1.058 32 W CA -0.891 56.430 57.345 -0.040 0.000 1.223 32 W CB 2.050 31.461 29.460 -0.081 0.000 1.389 32 W HN 0.764 nan 8.180 nan 0.000 0.541 33 W N 2.676 124.089 121.300 0.189 0.000 2.525 33 W HA 0.434 5.094 4.660 -0.000 0.000 0.294 33 W C -0.798 175.754 176.519 0.055 0.000 1.044 33 W CA -1.329 56.080 57.345 0.107 0.000 1.169 33 W CB 0.312 29.879 29.460 0.177 0.000 1.042 33 W HN 0.365 nan 8.180 nan 0.000 0.316 34 G N 4.506 113.385 108.800 0.132 0.000 2.420 34 G HA2 0.610 4.570 3.960 -0.000 0.000 0.284 34 G HA3 0.610 4.570 3.960 -0.000 0.000 0.284 34 G C -2.698 172.080 174.900 -0.202 0.000 1.177 34 G CA -1.247 43.826 45.100 -0.044 0.000 0.841 34 G HN 0.111 nan 8.290 nan 0.000 0.527 35 P HA 0.173 nan 4.420 nan 0.000 0.270 35 P C -0.572 176.611 177.300 -0.196 0.000 1.223 35 P CA -0.453 62.458 63.100 -0.315 0.000 0.785 35 P CB 0.821 32.345 31.700 -0.295 0.000 0.923 36 L N 2.882 123.989 121.223 -0.193 0.000 2.305 36 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 36 L C -1.232 175.501 176.870 -0.229 0.000 1.013 36 L CA -0.495 54.203 54.840 -0.237 0.000 0.819 36 L CB 0.540 42.492 42.059 -0.177 0.000 1.227 36 L HN 0.099 nan 8.230 nan 0.000 0.417 37 L N 4.306 125.343 121.223 -0.311 0.000 2.292 37 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 37 L C 0.774 177.408 176.870 -0.394 0.000 1.065 37 L CA 0.381 55.058 54.840 -0.272 0.000 0.806 37 L CB 0.983 42.910 42.059 -0.220 0.000 1.175 37 L HN 0.919 nan 8.230 nan 0.000 0.431 38 S N 2.691 118.320 115.700 -0.120 0.000 3.697 38 S HA 0.599 5.069 4.470 -0.000 0.000 0.184 38 S C -0.190 174.463 174.600 0.088 0.000 1.045 38 S CA -0.051 58.062 58.200 -0.146 0.000 1.330 38 S CB 1.020 64.165 63.200 -0.092 0.000 1.393 38 S HN 0.643 nan 8.310 nan 0.000 0.855 39 N N -1.244 117.498 118.700 0.070 0.000 2.710 39 N HA 0.374 5.113 4.740 -0.000 0.000 0.257 39 N C 0.176 175.777 175.510 0.151 0.000 1.327 39 N CA -0.414 52.720 53.050 0.140 0.000 0.861 39 N CB 0.971 39.514 38.487 0.092 0.000 1.532 39 N HN 0.171 nan 8.380 nan 0.000 0.499 40 V N -0.153 119.835 119.914 0.124 0.000 2.592 40 V HA -0.342 3.778 4.120 -0.000 0.000 0.262 40 V C 2.344 178.432 176.094 -0.010 0.000 1.108 40 V CA 2.745 65.070 62.300 0.041 0.000 1.121 40 V CB -1.635 30.022 31.823 -0.277 0.000 0.689 40 V HN 0.973 nan 8.190 nan 0.000 0.479 41 T N -3.356 111.194 114.554 -0.006 0.000 2.881 41 T HA -0.199 4.151 4.350 -0.000 0.000 0.270 41 T C 1.761 176.399 174.700 -0.103 0.000 1.068 41 T CA 1.365 63.425 62.100 -0.067 0.000 1.131 41 T CB -0.273 68.575 68.868 -0.034 0.000 0.871 41 T HN 0.308 nan 8.240 nan 0.000 0.479 42 M N 2.271 121.859 119.600 -0.020 0.000 2.065 42 M HA -0.071 4.409 4.480 -0.000 0.000 0.259 42 M C 2.512 178.781 176.300 -0.052 0.000 1.071 42 M CA 1.837 57.092 55.300 -0.074 0.000 1.109 42 M CB -1.144 31.506 32.600 0.084 0.000 1.313 42 M HN 0.524 nan 8.290 nan 0.000 0.408 43 E N 0.466 120.690 120.200 0.041 0.000 2.208 43 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 43 E C 2.004 178.662 176.600 0.096 0.000 0.988 43 E CA 1.274 57.747 56.400 0.122 0.000 0.828 43 E CB -0.719 29.070 29.700 0.148 0.000 0.763 43 E HN 0.461 nan 8.360 nan 0.000 0.478 44 A N 1.846 124.648 122.820 -0.030 0.000 1.930 44 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 44 A C 2.035 179.472 177.584 -0.246 0.000 1.175 44 A CA 1.459 53.421 52.037 -0.124 0.000 0.627 44 A CB -0.382 18.500 19.000 -0.198 0.000 0.815 44 A HN 0.228 nan 8.150 nan 0.000 0.443 45 E N -1.894 118.086 120.200 -0.368 0.000 2.158 45 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 45 E C 1.752 178.171 176.600 -0.300 0.000 0.982 45 E CA 0.978 56.936 56.400 -0.737 0.000 0.823 45 E CB -0.258 28.892 29.700 -0.917 0.000 0.766 45 E HN 0.772 nan 8.360 nan 0.000 0.468 46 Y N 0.979 121.239 120.300 -0.067 0.000 2.181 46 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 46 Y C 2.050 177.885 175.900 -0.109 0.000 1.146 46 Y CA 1.178 59.246 58.100 -0.054 0.000 1.164 46 Y CB -0.232 38.224 38.460 -0.007 0.000 0.982 46 Y HN -0.172 nan 8.280 nan 0.000 0.515 47 V N 0.526 120.507 119.914 0.111 0.000 2.295 47 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 47 V C 2.466 178.472 176.094 -0.147 0.000 1.049 47 V CA 2.116 64.447 62.300 0.052 0.000 1.024 47 V CB -0.715 31.161 31.823 0.089 0.000 0.648 47 V HN 0.468 nan 8.190 nan 0.000 0.447 48 L N -1.015 120.074 121.223 -0.223 0.000 2.056 48 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 48 L C 2.469 179.305 176.870 -0.056 0.000 1.078 48 L CA 1.154 55.882 54.840 -0.186 0.000 0.749 48 L CB -0.607 41.335 42.059 -0.195 0.000 0.901 48 L HN 0.349 nan 8.230 nan 0.000 0.433 49 L N -0.040 121.109 121.223 -0.123 0.000 1.990 49 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 49 L C 2.653 179.380 176.870 -0.240 0.000 1.072 49 L CA 1.895 56.651 54.840 -0.139 0.000 0.755 49 L CB -0.804 40.964 42.059 -0.486 0.000 0.889 49 L HN 0.264 nan 8.230 nan 0.000 0.432 50 C N -0.717 118.395 119.300 -0.312 0.000 2.398 50 C HA -0.248 4.212 4.460 -0.000 0.000 0.276 50 C C 2.726 177.631 174.990 -0.142 0.000 1.222 50 C CA 1.248 60.141 59.018 -0.208 0.000 1.746 50 C CB -1.518 26.148 27.740 -0.124 0.000 2.039 50 C HN 0.825 nan 8.230 nan 0.000 0.470 51 H N 0.694 119.642 119.070 -0.204 0.000 2.321 51 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 51 H C 1.917 177.122 175.328 -0.204 0.000 1.087 51 H CA 1.988 57.929 56.048 -0.178 0.000 1.319 51 H CB -0.392 29.135 29.762 -0.391 0.000 1.379 51 H HN 0.466 nan 8.280 nan 0.000 0.501 52 I N 0.185 120.485 120.570 -0.450 0.000 2.226 52 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 52 I C 1.845 177.534 176.117 -0.713 0.000 1.100 52 I CA 1.199 62.046 61.300 -0.754 0.000 1.374 52 I CB -0.219 37.482 38.000 -0.499 0.000 1.057 52 I HN 0.290 nan 8.210 nan 0.000 0.413 53 L N 0.105 121.061 121.223 -0.446 0.000 2.599 53 L HA -0.025 4.315 4.340 -0.000 0.000 0.230 53 L C 0.392 177.051 176.870 -0.351 0.000 1.141 53 L CA 0.186 54.804 54.840 -0.369 0.000 0.877 53 L CB -0.593 41.239 42.059 -0.379 0.000 1.009 53 L HN 0.291 nan 8.230 nan 0.000 0.447 54 D N 1.758 121.962 120.400 -0.326 0.000 2.772 54 D HA -0.215 4.425 4.640 -0.000 0.000 0.233 54 D C 0.240 176.431 176.300 -0.180 0.000 1.143 54 D CA 0.782 54.652 54.000 -0.217 0.000 0.700 54 D CB -0.432 40.256 40.800 -0.187 0.000 1.076 54 D HN 0.371 nan 8.370 nan 0.000 0.430 55 R N -0.315 120.062 120.500 -0.204 0.000 2.681 55 R HA 0.348 4.687 4.340 -0.000 0.000 0.277 55 R C -0.668 175.628 176.300 -0.005 0.000 1.563 55 R CA -0.601 55.401 56.100 -0.164 0.000 1.673 55 R CB 1.337 31.373 30.300 -0.440 0.000 1.258 55 R HN -0.076 nan 8.270 nan 0.000 0.650 56 V N 1.340 121.277 119.914 0.039 0.000 2.385 56 V HA 0.101 4.221 4.120 -0.000 0.000 0.269 56 V C 0.008 176.153 176.094 0.084 0.000 1.043 56 V CA -0.529 61.831 62.300 0.099 0.000 0.906 56 V CB 1.387 33.303 31.823 0.156 0.000 0.995 56 V HN 0.355 nan 8.190 nan 0.000 0.467 57 D N 4.669 125.123 120.400 0.089 0.000 2.428 57 D HA 0.252 4.892 4.640 -0.000 0.000 0.221 57 D C 1.333 177.651 176.300 0.030 0.000 1.123 57 D CA -0.475 53.555 54.000 0.050 0.000 0.869 57 D CB 0.797 41.617 40.800 0.032 0.000 1.032 57 D HN 0.232 nan 8.370 nan 0.000 0.506 58 R N 2.654 123.169 120.500 0.025 0.000 2.119 58 R HA -0.183 4.156 4.340 -0.000 0.000 0.246 58 R C 1.292 177.594 176.300 0.003 0.000 1.146 58 R CA 1.244 57.353 56.100 0.015 0.000 0.962 58 R CB -0.364 29.941 30.300 0.008 0.000 0.863 58 R HN 0.671 nan 8.270 nan 0.000 0.442 59 D N 0.106 120.500 120.400 -0.011 0.000 2.084 59 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 59 D C 1.911 178.177 176.300 -0.057 0.000 0.990 59 D CA 1.144 55.128 54.000 -0.026 0.000 0.826 59 D CB 0.109 40.888 40.800 -0.034 0.000 0.971 59 D HN -0.002 nan 8.370 nan 0.000 0.453 60 R N 0.165 120.601 120.500 -0.106 0.000 2.105 60 R HA -0.086 4.254 4.340 -0.000 0.000 0.239 60 R C 2.361 178.597 176.300 -0.106 0.000 1.135 60 R CA 1.146 57.111 56.100 -0.225 0.000 0.967 60 R CB -0.482 29.627 30.300 -0.319 0.000 0.861 60 R HN 0.200 nan 8.270 nan 0.000 0.442 61 M N 0.482 120.078 119.600 -0.006 0.000 2.159 61 M HA -0.099 4.380 4.480 -0.000 0.000 0.263 61 M C 1.718 178.062 176.300 0.073 0.000 1.063 61 M CA 1.438 56.777 55.300 0.065 0.000 1.110 61 M CB -0.747 31.900 32.600 0.079 0.000 1.374 61 M HN 0.128 nan 8.290 nan 0.000 0.411 62 E N 0.963 121.192 120.200 0.048 0.000 2.047 62 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 62 E C 1.951 178.612 176.600 0.101 0.000 0.987 62 E CA 1.174 57.614 56.400 0.066 0.000 0.799 62 E CB -0.269 29.457 29.700 0.043 0.000 0.752 62 E HN 0.512 nan 8.360 nan 0.000 0.449 63 K N 0.259 120.707 120.400 0.080 0.000 2.280 63 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 63 K C 2.152 178.883 176.600 0.219 0.000 1.047 63 K CA 0.675 57.035 56.287 0.123 0.000 0.942 63 K CB -0.015 32.531 32.500 0.077 0.000 0.739 63 K HN 0.143 nan 8.250 nan 0.000 0.457 64 I N 0.110 120.807 120.570 0.212 0.000 2.584 64 I HA -0.151 4.018 4.170 -0.000 0.000 0.255 64 I C 2.574 178.869 176.117 0.296 0.000 1.145 64 I CA 0.490 61.967 61.300 0.296 0.000 1.462 64 I CB -0.061 38.093 38.000 0.256 0.000 1.102 64 I HN 0.124 nan 8.210 nan 0.000 0.433 65 R N 1.288 121.918 120.500 0.216 0.000 2.066 65 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 65 R C 2.444 178.884 176.300 0.232 0.000 1.131 65 R CA 1.356 57.570 56.100 0.190 0.000 0.955 65 R CB -0.054 30.326 30.300 0.133 0.000 0.851 65 R HN 0.233 nan 8.270 nan 0.000 0.432 66 R N -0.770 119.884 120.500 0.255 0.000 2.105 66 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 66 R C 2.244 178.813 176.300 0.448 0.000 1.135 66 R CA 1.812 58.100 56.100 0.314 0.000 0.967 66 R CB -0.560 29.938 30.300 0.331 0.000 0.861 66 R HN 0.353 nan 8.270 nan 0.000 0.442 67 Y N 1.659 122.175 120.300 0.359 0.000 2.133 67 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 67 Y C 2.033 178.148 175.900 0.358 0.000 1.134 67 Y CA 1.340 59.677 58.100 0.395 0.000 1.133 67 Y CB -0.445 38.158 38.460 0.239 0.000 0.987 67 Y HN -0.098 nan 8.280 nan 0.000 0.502 68 L N -0.669 120.658 121.223 0.173 0.000 2.042 68 L HA -0.261 4.078 4.340 -0.000 0.000 0.210 68 L C 2.338 179.431 176.870 0.373 0.000 1.076 68 L CA 0.986 55.902 54.840 0.125 0.000 0.749 68 L CB -0.754 41.387 42.059 0.136 0.000 0.893 68 L HN 0.298 nan 8.230 nan 0.000 0.432 69 L N -0.770 120.622 121.223 0.282 0.000 2.027 69 L HA -0.226 4.114 4.340 -0.000 0.000 0.206 69 L C 2.665 179.581 176.870 0.076 0.000 1.074 69 L CA 1.765 56.723 54.840 0.197 0.000 0.745 69 L CB -1.398 40.747 42.059 0.142 0.000 0.898 69 L HN 0.322 nan 8.230 nan 0.000 0.433 70 H N -0.170 118.879 119.070 -0.034 0.000 2.489 70 H HA -0.133 4.423 4.556 -0.000 0.000 0.295 70 H C 1.485 176.713 175.328 -0.168 0.000 1.082 70 H CA 1.364 57.304 56.048 -0.179 0.000 1.295 70 H CB 0.508 30.039 29.762 -0.385 0.000 1.380 70 H HN 0.367 nan 8.280 nan 0.000 0.548 71 E N 0.601 120.822 120.200 0.036 0.000 2.340 71 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 71 E C 0.804 177.328 176.600 -0.127 0.000 0.996 71 E CA -0.015 56.400 56.400 0.024 0.000 0.869 71 E CB 0.140 29.845 29.700 0.008 0.000 0.835 71 E HN 0.587 nan 8.360 nan 0.000 0.493 72 Q N 1.295 120.883 119.800 -0.354 0.000 2.392 72 Q HA 0.086 4.425 4.340 -0.000 0.000 0.262 72 Q C -0.408 175.235 176.000 -0.595 0.000 1.003 72 Q CA 0.094 55.281 55.803 -1.026 0.000 0.888 72 Q CB 0.617 28.747 28.738 -1.012 0.000 1.260 72 Q HN -0.139 nan 8.270 nan 0.000 0.435 73 R N 1.445 121.598 120.500 -0.579 0.000 2.608 73 R HA 0.137 4.477 4.340 -0.000 0.000 0.255 73 R C 1.054 177.153 176.300 -0.335 0.000 1.086 73 R CA -0.374 55.497 56.100 -0.383 0.000 1.125 73 R CB 0.401 30.504 30.300 -0.328 0.000 1.193 73 R HN 0.709 nan 8.270 nan 0.000 0.553 74 E N 0.798 120.849 120.200 -0.248 0.000 2.097 74 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 74 E C 0.817 177.302 176.600 -0.191 0.000 1.000 74 E CA 1.922 58.204 56.400 -0.196 0.000 0.804 74 E CB -0.081 29.529 29.700 -0.150 0.000 0.740 74 E HN 0.636 nan 8.360 nan 0.000 0.454 75 D N -0.603 119.670 120.400 -0.211 0.000 2.384 75 D HA -0.047 4.593 4.640 -0.000 0.000 0.222 75 D C 1.193 177.358 176.300 -0.224 0.000 0.976 75 D CA 0.900 54.781 54.000 -0.198 0.000 0.915 75 D CB -0.311 40.356 40.800 -0.222 0.000 0.896 75 D HN 0.260 nan 8.370 nan 0.000 0.523 76 G N -0.211 108.411 108.800 -0.297 0.000 2.160 76 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 76 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 76 G C 0.313 174.935 174.900 -0.463 0.000 1.022 76 G CA 0.603 45.496 45.100 -0.344 0.000 0.741 76 G HN 0.871 nan 8.290 nan 0.000 0.508 77 T N -3.205 111.022 114.554 -0.544 0.000 2.926 77 T HA 0.750 5.100 4.350 -0.000 0.000 0.289 77 T C -0.304 174.098 174.700 -0.495 0.000 1.054 77 T CA -0.999 60.828 62.100 -0.455 0.000 1.015 77 T CB 2.374 70.907 68.868 -0.559 0.000 1.167 77 T HN 0.458 nan 8.240 nan 0.000 0.526 78 W N 0.145 121.375 121.300 -0.116 0.000 2.689 78 W HA 0.704 5.364 4.660 -0.000 0.000 0.340 78 W C -0.000 176.461 176.519 -0.096 0.000 1.060 78 W CA -1.107 56.184 57.345 -0.091 0.000 1.218 78 W CB 2.355 31.797 29.460 -0.030 0.000 1.410 78 W HN 1.086 nan 8.180 nan 0.000 0.528 79 A N 1.553 124.435 122.820 0.102 0.000 2.347 79 A HA 0.654 4.974 4.320 -0.000 0.000 0.301 79 A C 0.438 178.057 177.584 0.059 0.000 1.163 79 A CA -0.549 51.482 52.037 -0.010 0.000 0.860 79 A CB 1.169 20.032 19.000 -0.229 0.000 1.367 79 A HN 0.699 nan 8.150 nan 0.000 0.461 80 L N -1.120 120.150 121.223 0.079 0.000 2.162 80 L HA 0.103 4.443 4.340 -0.000 0.000 0.205 80 L C 0.216 177.252 176.870 0.276 0.000 1.086 80 L CA 0.954 55.952 54.840 0.262 0.000 0.778 80 L CB -0.454 41.904 42.059 0.497 0.000 0.928 80 L HN 0.786 nan 8.230 nan 0.000 0.446 81 Y N -2.108 118.136 120.300 -0.093 0.000 2.570 81 Y HA 0.628 5.177 4.550 -0.000 0.000 0.345 81 Y C -2.770 172.906 175.900 -0.373 0.000 1.014 81 Y CA -4.401 53.474 58.100 -0.375 0.000 1.063 81 Y CB -0.668 37.590 38.460 -0.338 0.000 1.272 81 Y HN -0.217 nan 8.280 nan 0.000 0.477 82 P HA 0.179 nan 4.420 nan 0.000 0.266 82 P C 0.717 177.938 177.300 -0.131 0.000 1.215 82 P CA 1.476 64.412 63.100 -0.275 0.000 0.763 82 P CB 0.932 32.465 31.700 -0.277 0.000 0.806 83 G N 2.153 110.839 108.800 -0.189 0.000 2.175 83 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.244 83 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.244 83 G C 0.491 175.198 174.900 -0.321 0.000 0.982 83 G CA -0.143 44.875 45.100 -0.136 0.000 0.641 83 G HN 0.887 nan 8.290 nan 0.000 0.527 84 G N 0.469 108.842 108.800 -0.711 0.000 2.562 84 G HA2 0.660 4.620 3.960 -0.000 0.000 0.275 84 G HA3 0.660 4.620 3.960 -0.000 0.000 0.275 84 G C -1.363 173.211 174.900 -0.544 0.000 1.196 84 G CA -0.385 44.042 45.100 -1.122 0.000 0.908 84 G HN 0.292 nan 8.290 nan 0.000 0.524 85 P HA 0.165 nan 4.420 nan 0.000 0.270 85 P C -2.518 174.685 177.300 -0.161 0.000 1.223 85 P CA -0.936 62.063 63.100 -0.168 0.000 0.785 85 P CB 0.253 31.933 31.700 -0.035 0.000 0.923 86 P HA 0.039 nan 4.420 nan 0.000 0.267 86 P C -0.411 176.907 177.300 0.030 0.000 1.205 86 P CA 0.513 63.463 63.100 -0.251 0.000 0.765 86 P CB 0.643 31.883 31.700 -0.767 0.000 0.828 87 D N 2.943 123.417 120.400 0.123 0.000 2.233 87 D HA 0.068 4.708 4.640 -0.000 0.000 0.240 87 D C 1.013 177.539 176.300 0.377 0.000 1.074 87 D CA -0.587 53.567 54.000 0.257 0.000 0.838 87 D CB 1.597 42.536 40.800 0.232 0.000 1.124 87 D HN 0.070 nan 8.370 nan 0.000 0.475 88 L N 5.008 126.457 121.223 0.376 0.000 1.994 88 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 88 L C 1.545 178.536 176.870 0.201 0.000 1.071 88 L CA 1.881 56.896 54.840 0.291 0.000 0.745 88 L CB -0.430 41.687 42.059 0.097 0.000 0.892 88 L HN 0.454 nan 8.230 nan 0.000 0.431 89 D N -0.832 119.670 120.400 0.169 0.000 2.108 89 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 89 D C 1.960 178.326 176.300 0.111 0.000 0.995 89 D CA 2.331 56.404 54.000 0.122 0.000 0.834 89 D CB -0.676 40.211 40.800 0.145 0.000 0.967 89 D HN 0.380 nan 8.370 nan 0.000 0.446 90 T N 0.854 115.496 114.554 0.145 0.000 2.653 90 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 90 T C 2.071 176.802 174.700 0.052 0.000 1.035 90 T CA 2.123 64.279 62.100 0.092 0.000 1.154 90 T CB -0.676 68.284 68.868 0.154 0.000 0.862 90 T HN 0.180 nan 8.240 nan 0.000 0.441 91 T N 1.732 116.426 114.554 0.233 0.000 2.821 91 T HA 0.082 4.432 4.350 -0.000 0.000 0.267 91 T C 1.980 176.824 174.700 0.240 0.000 1.046 91 T CA 0.772 63.106 62.100 0.390 0.000 1.139 91 T CB -0.345 68.865 68.868 0.570 0.000 0.871 91 T HN 0.357 nan 8.240 nan 0.000 0.454 92 I N 0.849 121.509 120.570 0.150 0.000 2.252 92 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 92 I C 2.603 178.769 176.117 0.082 0.000 1.102 92 I CA 1.292 62.651 61.300 0.099 0.000 1.385 92 I CB -0.325 37.691 38.000 0.028 0.000 1.064 92 I HN 0.294 nan 8.210 nan 0.000 0.414 93 E N 1.020 121.218 120.200 -0.004 0.000 2.106 93 E HA -0.169 4.180 4.350 -0.000 0.000 0.192 93 E C 2.348 178.861 176.600 -0.145 0.000 0.984 93 E CA 1.167 57.521 56.400 -0.077 0.000 0.806 93 E CB -0.139 29.483 29.700 -0.130 0.000 0.750 93 E HN 0.492 nan 8.360 nan 0.000 0.458 94 A N 0.968 123.618 122.820 -0.283 0.000 1.902 94 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 94 A C 2.036 179.446 177.584 -0.290 0.000 1.181 94 A CA 1.340 53.029 52.037 -0.580 0.000 0.623 94 A CB -0.781 17.264 19.000 -1.593 0.000 0.818 94 A HN 0.394 nan 8.150 nan 0.000 0.443 95 Y N 0.759 120.960 120.300 -0.164 0.000 2.145 95 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 95 Y C 2.328 178.248 175.900 0.033 0.000 1.145 95 Y CA 2.138 60.266 58.100 0.047 0.000 1.148 95 Y CB -0.338 38.202 38.460 0.133 0.000 0.981 95 Y HN 0.065 nan 8.280 nan 0.000 0.507 96 V N 0.614 120.613 119.914 0.142 0.000 2.407 96 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 96 V C 2.666 178.758 176.094 -0.002 0.000 1.055 96 V CA 1.712 64.055 62.300 0.072 0.000 1.049 96 V CB -1.691 30.188 31.823 0.092 0.000 0.662 96 V HN 0.586 nan 8.190 nan 0.000 0.455 97 A N -0.005 122.795 122.820 -0.033 0.000 1.858 97 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 97 A C 2.239 179.845 177.584 0.036 0.000 1.190 97 A CA 1.906 53.942 52.037 -0.003 0.000 0.617 97 A CB -0.623 18.350 19.000 -0.044 0.000 0.827 97 A HN 0.476 nan 8.150 nan 0.000 0.443 98 L N -0.724 120.479 121.223 -0.033 0.000 2.042 98 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 98 L C 2.679 179.508 176.870 -0.069 0.000 1.076 98 L CA 2.084 56.907 54.840 -0.029 0.000 0.749 98 L CB -0.397 41.648 42.059 -0.024 0.000 0.893 98 L HN 0.473 nan 8.230 nan 0.000 0.432 99 K N -0.841 119.461 120.400 -0.164 0.000 2.147 99 K HA -0.250 4.070 4.320 -0.000 0.000 0.205 99 K C 2.222 178.804 176.600 -0.030 0.000 1.049 99 K CA 1.399 57.598 56.287 -0.148 0.000 0.936 99 K CB -0.174 32.190 32.500 -0.227 0.000 0.722 99 K HN 0.187 nan 8.250 nan 0.000 0.446 100 Y N 1.110 121.358 120.300 -0.086 0.000 2.220 100 Y HA -0.095 4.455 4.550 -0.000 0.000 0.291 100 Y C 1.627 177.505 175.900 -0.037 0.000 1.129 100 Y CA 1.403 59.465 58.100 -0.064 0.000 1.161 100 Y CB -0.027 38.388 38.460 -0.075 0.000 0.997 100 Y HN -0.018 nan 8.280 nan 0.000 0.522 101 I N -0.680 119.895 120.570 0.008 0.000 2.264 101 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 101 I C 2.106 178.161 176.117 -0.104 0.000 1.111 101 I CA 1.858 63.135 61.300 -0.037 0.000 1.382 101 I CB -0.484 37.552 38.000 0.061 0.000 1.060 101 I HN 0.523 nan 8.210 nan 0.000 0.418 102 G N -1.072 107.676 108.800 -0.087 0.000 3.617 102 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.217 102 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.217 102 G C 0.423 175.295 174.900 -0.047 0.000 0.967 102 G CA -0.603 44.451 45.100 -0.076 0.000 0.878 102 G HN -0.004 nan 8.290 nan 0.000 0.439 103 M N 2.952 122.532 119.600 -0.034 0.000 2.251 103 M HA 0.329 4.809 4.480 -0.000 0.000 0.343 103 M C 0.961 177.239 176.300 -0.037 0.000 1.245 103 M CA 0.482 55.768 55.300 -0.025 0.000 1.061 103 M CB 0.771 33.361 32.600 -0.016 0.000 1.723 103 M HN 0.471 nan 8.290 nan 0.000 0.449 104 S N 2.773 118.466 115.700 -0.011 0.000 2.646 104 S HA 0.349 4.818 4.470 -0.000 0.000 0.276 104 S C 0.960 175.573 174.600 0.023 0.000 1.222 104 S CA -1.007 57.195 58.200 0.003 0.000 1.014 104 S CB 1.250 64.459 63.200 0.015 0.000 0.991 104 S HN 0.840 nan 8.310 nan 0.000 0.533 105 R N 0.691 121.223 120.500 0.053 0.000 2.249 105 R HA -0.107 4.232 4.340 -0.000 0.000 0.230 105 R C 0.278 176.643 176.300 0.109 0.000 1.121 105 R CA 1.564 57.733 56.100 0.116 0.000 0.997 105 R CB -0.752 29.641 30.300 0.154 0.000 0.867 105 R HN 0.624 nan 8.270 nan 0.000 0.465 106 D N 1.616 122.058 120.400 0.072 0.000 2.149 106 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 106 D C 0.082 176.415 176.300 0.055 0.000 0.972 106 D CA 0.736 54.771 54.000 0.059 0.000 0.835 106 D CB -0.163 40.662 40.800 0.043 0.000 0.966 106 D HN 0.455 nan 8.370 nan 0.000 0.476 107 E N 1.858 122.089 120.200 0.051 0.000 2.442 107 E HA -0.066 4.284 4.350 -0.000 0.000 0.262 107 E C 1.121 177.752 176.600 0.052 0.000 1.004 107 E CA -0.085 56.342 56.400 0.044 0.000 0.928 107 E CB 0.973 30.695 29.700 0.037 0.000 0.937 107 E HN 0.079 nan 8.360 nan 0.000 0.446 108 E N 2.870 123.089 120.200 0.033 0.000 2.095 108 E HA -0.226 4.124 4.350 -0.000 0.000 0.212 108 E C -0.642 175.973 176.600 0.025 0.000 1.044 108 E CA 1.942 58.355 56.400 0.021 0.000 0.857 108 E CB -1.304 28.397 29.700 0.001 0.000 0.764 108 E HN 0.475 nan 8.360 nan 0.000 0.462 109 P HA -0.125 nan 4.420 nan 0.000 0.216 109 P C 1.577 178.942 177.300 0.107 0.000 1.153 109 P CA 1.331 64.445 63.100 0.025 0.000 0.848 109 P CB -0.069 31.655 31.700 0.040 0.000 0.787 110 M N -1.005 118.684 119.600 0.148 0.000 2.067 110 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 110 M C 2.076 178.547 176.300 0.285 0.000 1.069 110 M CA 1.775 57.236 55.300 0.268 0.000 1.117 110 M CB -1.874 30.838 32.600 0.187 0.000 1.334 110 M HN 0.007 nan 8.290 nan 0.000 0.407 111 Q N 0.853 120.752 119.800 0.166 0.000 2.014 111 Q HA -0.175 4.165 4.340 -0.000 0.000 0.207 111 Q C 2.087 178.146 176.000 0.098 0.000 0.993 111 Q CA 1.645 57.520 55.803 0.120 0.000 0.850 111 Q CB -0.635 28.148 28.738 0.075 0.000 0.916 111 Q HN 0.566 nan 8.270 nan 0.000 0.417 112 K N 0.329 120.771 120.400 0.069 0.000 2.074 112 K HA -0.141 4.178 4.320 -0.000 0.000 0.209 112 K C 2.138 178.785 176.600 0.079 0.000 1.048 112 K CA 1.315 57.626 56.287 0.040 0.000 0.926 112 K CB -0.243 32.243 32.500 -0.023 0.000 0.713 112 K HN 0.185 nan 8.250 nan 0.000 0.444 113 A N 1.816 124.708 122.820 0.120 0.000 1.845 113 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 113 A C 2.159 179.839 177.584 0.160 0.000 1.195 113 A CA 1.150 53.312 52.037 0.207 0.000 0.616 113 A CB -0.790 18.448 19.000 0.397 0.000 0.832 113 A HN 0.253 nan 8.150 nan 0.000 0.443 114 L N -0.783 120.472 121.223 0.053 0.000 2.043 114 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 114 L C 2.890 179.735 176.870 -0.042 0.000 1.075 114 L CA 1.717 56.476 54.840 -0.135 0.000 0.752 114 L CB -0.328 41.683 42.059 -0.081 0.000 0.891 114 L HN 0.425 nan 8.230 nan 0.000 0.432 115 R N -1.260 119.262 120.500 0.037 0.000 2.096 115 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 115 R C 2.173 178.512 176.300 0.066 0.000 1.127 115 R CA 1.719 57.844 56.100 0.042 0.000 0.968 115 R CB -0.447 29.887 30.300 0.057 0.000 0.861 115 R HN 0.323 nan 8.270 nan 0.000 0.440 116 F N 1.577 121.512 119.950 -0.024 0.000 2.146 116 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 116 F C 1.898 177.686 175.800 -0.020 0.000 1.096 116 F CA 1.115 59.105 58.000 -0.016 0.000 1.275 116 F CB -0.268 38.728 39.000 -0.007 0.000 1.008 116 F HN -0.147 nan 8.300 nan 0.000 0.480 117 I N 0.459 120.911 120.570 -0.197 0.000 2.127 117 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 117 I C 2.463 178.405 176.117 -0.291 0.000 1.075 117 I CA 1.880 62.992 61.300 -0.313 0.000 1.334 117 I CB -0.802 37.080 38.000 -0.197 0.000 1.040 117 I HN 0.236 nan 8.210 nan 0.000 0.405 118 Q N 0.392 120.082 119.800 -0.184 0.000 2.135 118 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 118 Q C 2.298 178.220 176.000 -0.131 0.000 0.981 118 Q CA 2.013 57.738 55.803 -0.129 0.000 0.856 118 Q CB -0.274 28.421 28.738 -0.072 0.000 0.902 118 Q HN 0.624 nan 8.270 nan 0.000 0.425 119 S N 0.154 115.764 115.700 -0.149 0.000 2.500 119 S HA -0.115 4.354 4.470 -0.000 0.000 0.239 119 S C 1.524 176.024 174.600 -0.168 0.000 0.989 119 S CA 0.723 58.851 58.200 -0.120 0.000 0.951 119 S CB 0.085 63.247 63.200 -0.065 0.000 0.759 119 S HN 0.252 nan 8.310 nan 0.000 0.523 120 Q N 0.161 119.798 119.800 -0.271 0.000 2.282 120 Q HA 0.321 4.661 4.340 -0.000 0.000 0.206 120 Q C 1.374 177.286 176.000 -0.146 0.000 0.878 120 Q CA 0.654 56.309 55.803 -0.247 0.000 0.944 120 Q CB 0.615 29.104 28.738 -0.416 0.000 1.100 120 Q HN 0.775 nan 8.270 nan 0.000 0.509 121 G N -0.097 108.632 108.800 -0.118 0.000 2.179 121 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.220 121 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.220 121 G C 0.650 175.501 174.900 -0.082 0.000 0.990 121 G CA 0.099 45.156 45.100 -0.071 0.000 0.646 121 G HN 0.723 nan 8.290 nan 0.000 0.517 122 G N 0.034 108.757 108.800 -0.129 0.000 2.569 122 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.259 122 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.259 122 G C 1.029 175.828 174.900 -0.169 0.000 1.263 122 G CA 0.238 45.247 45.100 -0.152 0.000 0.928 122 G HN 1.057 nan 8.290 nan 0.000 0.572 123 I N 1.793 122.216 120.570 -0.244 0.000 2.315 123 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 123 I C 2.517 178.521 176.117 -0.189 0.000 1.125 123 I CA 2.621 63.748 61.300 -0.289 0.000 1.392 123 I CB -0.826 36.834 38.000 -0.568 0.000 1.065 123 I HN 0.594 nan 8.210 nan 0.000 0.424 124 E N -0.060 120.085 120.200 -0.092 0.000 2.418 124 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 124 E C 1.990 178.581 176.600 -0.014 0.000 1.026 124 E CA 0.526 56.930 56.400 0.007 0.000 0.862 124 E CB -0.008 29.735 29.700 0.072 0.000 0.799 124 E HN 0.408 nan 8.360 nan 0.000 0.518 125 S N 0.640 116.312 115.700 -0.047 0.000 2.575 125 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 125 S C 0.885 175.468 174.600 -0.027 0.000 0.966 125 S CA -0.146 58.036 58.200 -0.031 0.000 0.911 125 S CB 0.245 63.419 63.200 -0.044 0.000 0.780 125 S HN 0.228 nan 8.310 nan 0.000 0.514 126 S N 2.649 118.314 115.700 -0.059 0.000 2.592 126 S HA 0.399 4.869 4.470 -0.000 0.000 0.271 126 S C 0.341 174.913 174.600 -0.046 0.000 1.326 126 S CA -1.067 57.106 58.200 -0.046 0.000 1.024 126 S CB 0.611 63.763 63.200 -0.080 0.000 0.921 126 S HN 0.545 nan 8.310 nan 0.000 0.527 127 R N 0.746 121.242 120.500 -0.007 0.000 2.905 127 R HA 0.172 4.511 4.340 -0.000 0.000 0.273 127 R C 0.774 177.003 176.300 -0.119 0.000 1.033 127 R CA -0.516 55.567 56.100 -0.028 0.000 1.182 127 R CB -0.316 30.007 30.300 0.039 0.000 1.097 127 R HN 0.404 nan 8.270 nan 0.000 0.504 128 V N 0.273 120.045 119.914 -0.236 0.000 2.255 128 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 128 V C 2.212 178.179 176.094 -0.212 0.000 1.051 128 V CA 1.809 63.926 62.300 -0.305 0.000 1.018 128 V CB -0.931 30.553 31.823 -0.564 0.000 0.641 128 V HN 0.656 nan 8.190 nan 0.000 0.445 129 F N 1.251 121.090 119.950 -0.185 0.000 2.063 129 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 129 F C 2.669 178.517 175.800 0.079 0.000 1.109 129 F CA 2.144 60.110 58.000 -0.057 0.000 1.212 129 F CB -1.742 37.232 39.000 -0.042 0.000 0.973 129 F HN 0.135 nan 8.300 nan 0.000 0.480 130 T N -0.202 114.482 114.554 0.217 0.000 2.684 130 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 130 T C 2.108 176.810 174.700 0.004 0.000 1.036 130 T CA 1.609 63.787 62.100 0.129 0.000 1.148 130 T CB -0.293 68.589 68.868 0.022 0.000 0.863 130 T HN 0.214 nan 8.240 nan 0.000 0.436 131 R N 0.272 120.665 120.500 -0.178 0.000 2.115 131 R HA 0.113 4.453 4.340 -0.000 0.000 0.230 131 R C 2.559 178.674 176.300 -0.308 0.000 1.111 131 R CA 1.015 56.828 56.100 -0.477 0.000 0.976 131 R CB -0.333 29.489 30.300 -0.796 0.000 0.870 131 R HN 0.396 nan 8.270 nan 0.000 0.445 132 M N -0.403 119.102 119.600 -0.159 0.000 2.099 132 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 132 M C 1.492 177.684 176.300 -0.180 0.000 1.067 132 M CA 1.815 56.981 55.300 -0.222 0.000 1.124 132 M CB -0.169 32.384 32.600 -0.078 0.000 1.353 132 M HN 0.183 nan 8.290 nan 0.000 0.410 133 W N 0.760 122.052 121.300 -0.014 0.000 2.321 133 W HA -0.226 4.434 4.660 -0.000 0.000 0.306 133 W C 2.108 178.622 176.519 -0.008 0.000 1.217 133 W CA 1.095 58.465 57.345 0.043 0.000 1.257 133 W CB -0.367 29.132 29.460 0.064 0.000 1.145 133 W HN 0.227 nan 8.180 nan 0.000 0.509 134 L N -0.578 120.748 121.223 0.171 0.000 2.093 134 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 134 L C 2.616 179.507 176.870 0.036 0.000 1.085 134 L CA 1.150 56.049 54.840 0.099 0.000 0.755 134 L CB -1.043 41.037 42.059 0.035 0.000 0.904 134 L HN -0.018 nan 8.230 nan 0.000 0.435 135 A N 0.005 122.736 122.820 -0.148 0.000 1.902 135 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 135 A C 2.243 179.603 177.584 -0.373 0.000 1.181 135 A CA 1.352 53.128 52.037 -0.436 0.000 0.623 135 A CB -0.703 17.655 19.000 -1.069 0.000 0.818 135 A HN 0.328 nan 8.150 nan 0.000 0.443 136 L N -0.887 120.227 121.223 -0.182 0.000 2.043 136 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 136 L C 2.280 179.342 176.870 0.320 0.000 1.075 136 L CA 1.181 56.156 54.840 0.224 0.000 0.752 136 L CB -0.263 41.953 42.059 0.262 0.000 0.891 136 L HN 0.271 nan 8.230 nan 0.000 0.432 137 V N -0.368 119.706 119.914 0.267 0.000 3.573 137 V HA 0.107 4.227 4.120 -0.000 0.000 0.270 137 V C 1.411 177.633 176.094 0.213 0.000 1.221 137 V CA 1.020 63.495 62.300 0.292 0.000 1.163 137 V CB -0.286 31.679 31.823 0.237 0.000 0.847 137 V HN 0.742 nan 8.190 nan 0.000 0.468 138 G N 0.415 109.308 108.800 0.154 0.000 2.147 138 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 138 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 138 G C 0.541 175.519 174.900 0.130 0.000 1.005 138 G CA 0.535 45.712 45.100 0.129 0.000 0.713 138 G HN 0.482 nan 8.290 nan 0.000 0.515 139 E N -1.603 118.690 120.200 0.154 0.000 2.415 139 E HA 0.210 4.560 4.350 -0.000 0.000 0.197 139 E C 0.323 177.117 176.600 0.323 0.000 1.007 139 E CA 0.168 56.697 56.400 0.214 0.000 0.890 139 E CB 0.414 30.243 29.700 0.216 0.000 0.891 139 E HN 0.683 nan 8.360 nan 0.000 0.496 140 Y N 1.463 121.812 120.300 0.080 0.000 2.477 140 Y HA 0.334 4.884 4.550 -0.000 0.000 0.347 140 Y C -2.481 173.408 175.900 -0.019 0.000 0.981 140 Y CA -2.714 55.446 58.100 0.100 0.000 1.033 140 Y CB 2.038 40.523 38.460 0.042 0.000 1.245 140 Y HN -0.196 nan 8.280 nan 0.000 0.455 141 P HA -0.040 nan 4.420 nan 0.000 0.271 141 P C 0.096 177.364 177.300 -0.053 0.000 1.226 141 P CA 0.364 63.361 63.100 -0.172 0.000 0.765 141 P CB 0.728 32.279 31.700 -0.249 0.000 0.835 142 W N 2.547 123.884 121.300 0.060 0.000 2.325 142 W HA -0.191 4.469 4.660 -0.000 0.000 0.299 142 W C 2.261 178.867 176.519 0.146 0.000 1.215 142 W CA 1.132 58.553 57.345 0.127 0.000 1.244 142 W CB -0.249 29.266 29.460 0.092 0.000 1.140 142 W HN 0.438 nan 8.180 nan 0.000 0.523 143 E N 0.548 120.912 120.200 0.273 0.000 2.463 143 E HA -0.167 4.183 4.350 -0.000 0.000 0.201 143 E C 1.080 177.565 176.600 -0.191 0.000 1.045 143 E CA 1.076 57.505 56.400 0.047 0.000 0.872 143 E CB -0.564 29.125 29.700 -0.018 0.000 0.797 143 E HN 0.398 nan 8.360 nan 0.000 0.538 144 K N 0.953 121.349 120.400 -0.006 0.000 2.358 144 K HA 0.194 4.514 4.320 -0.000 0.000 0.197 144 K C 0.094 176.846 176.600 0.253 0.000 1.025 144 K CA -0.013 56.296 56.287 0.037 0.000 1.104 144 K CB 1.321 33.783 32.500 -0.064 0.000 0.855 144 K HN -0.046 nan 8.250 nan 0.000 0.531 145 V N 3.584 123.709 119.914 0.353 0.000 2.383 145 V HA 0.184 4.304 4.120 -0.000 0.000 0.275 145 V C -2.437 173.933 176.094 0.459 0.000 1.036 145 V CA -2.358 60.168 62.300 0.377 0.000 0.889 145 V CB 0.983 33.024 31.823 0.363 0.000 0.985 145 V HN -0.025 nan 8.190 nan 0.000 0.459 146 P HA 0.023 nan 4.420 nan 0.000 0.258 146 P C 0.034 177.501 177.300 0.278 0.000 1.172 146 P CA 0.414 63.729 63.100 0.358 0.000 0.762 146 P CB 0.219 32.095 31.700 0.294 0.000 0.764 147 M N 3.267 122.926 119.600 0.099 0.000 2.243 147 M HA 0.166 4.646 4.480 -0.000 0.000 0.341 147 M C -0.222 176.007 176.300 -0.118 0.000 1.130 147 M CA 0.080 55.311 55.300 -0.114 0.000 1.162 147 M CB 0.776 33.156 32.600 -0.368 0.000 1.497 147 M HN 0.029 nan 8.290 nan 0.000 0.456 148 V N 5.750 125.540 119.914 -0.205 0.000 2.462 148 V HA 0.341 4.460 4.120 -0.000 0.000 0.288 148 V C -2.243 173.711 176.094 -0.233 0.000 1.020 148 V CA -1.240 60.896 62.300 -0.274 0.000 0.857 148 V CB 1.943 33.465 31.823 -0.501 0.000 1.013 148 V HN 0.678 nan 8.190 nan 0.000 0.431 149 P HA 0.333 nan 4.420 nan 0.000 0.282 149 P C -2.256 174.946 177.300 -0.164 0.000 1.249 149 P CA -1.885 61.132 63.100 -0.137 0.000 0.806 149 P CB 1.756 33.422 31.700 -0.058 0.000 0.984 150 P HA -0.130 nan 4.420 nan 0.000 0.222 150 P C 0.943 178.096 177.300 -0.245 0.000 1.147 150 P CA 1.315 64.291 63.100 -0.208 0.000 0.790 150 P CB 0.158 31.750 31.700 -0.179 0.000 0.780 151 E N -0.098 120.027 120.200 -0.126 0.000 2.333 151 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 151 E C 1.911 178.465 176.600 -0.077 0.000 1.007 151 E CA 0.286 56.656 56.400 -0.050 0.000 0.845 151 E CB -1.105 28.734 29.700 0.232 0.000 0.766 151 E HN 0.301 nan 8.360 nan 0.000 0.507 152 I N 0.085 120.579 120.570 -0.127 0.000 2.530 152 I HA -0.285 3.885 4.170 -0.000 0.000 0.257 152 I C 1.246 177.264 176.117 -0.166 0.000 1.179 152 I CA 0.869 62.100 61.300 -0.115 0.000 1.440 152 I CB 0.102 37.998 38.000 -0.173 0.000 1.087 152 I HN 0.159 nan 8.210 nan 0.000 0.440 153 M N -0.118 119.299 119.600 -0.305 0.000 2.279 153 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 153 M C 1.868 178.030 176.300 -0.230 0.000 1.062 153 M CA 1.564 56.655 55.300 -0.348 0.000 1.099 153 M CB -1.226 31.092 32.600 -0.470 0.000 1.394 153 M HN 0.230 nan 8.290 nan 0.000 0.426 154 F N 0.379 120.316 119.950 -0.022 0.000 2.407 154 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 154 F C 1.049 176.853 175.800 0.007 0.000 1.097 154 F CA -0.157 57.842 58.000 -0.002 0.000 1.422 154 F CB -0.994 38.014 39.000 0.013 0.000 1.067 154 F HN -0.032 nan 8.300 nan 0.000 0.539 155 L N 0.640 121.964 121.223 0.169 0.000 2.534 155 L HA 0.196 4.536 4.340 -0.000 0.000 0.271 155 L C 1.216 178.151 176.870 0.108 0.000 1.178 155 L CA -0.307 54.604 54.840 0.118 0.000 0.907 155 L CB -0.562 41.549 42.059 0.087 0.000 1.164 155 L HN 0.087 nan 8.230 nan 0.000 0.482 156 G N 2.638 111.495 108.800 0.095 0.000 2.651 156 G HA2 0.099 4.058 3.960 -0.000 0.000 0.260 156 G HA3 0.099 4.058 3.960 -0.000 0.000 0.260 156 G C 0.737 175.687 174.900 0.083 0.000 1.216 156 G CA -0.539 44.610 45.100 0.082 0.000 0.913 156 G HN 0.765 nan 8.290 nan 0.000 0.535 157 K N -0.152 120.283 120.400 0.058 0.000 2.059 157 K HA -0.174 4.145 4.320 -0.000 0.000 0.212 157 K C 2.379 179.010 176.600 0.052 0.000 1.050 157 K CA 1.692 58.006 56.287 0.044 0.000 0.927 157 K CB -0.067 32.418 32.500 -0.025 0.000 0.714 157 K HN 0.532 nan 8.250 nan 0.000 0.447 158 R N 0.994 121.515 120.500 0.036 0.000 2.312 158 R HA 0.134 4.474 4.340 -0.000 0.000 0.205 158 R C 0.410 176.732 176.300 0.036 0.000 0.904 158 R CA 0.157 56.276 56.100 0.032 0.000 1.052 158 R CB -0.021 30.290 30.300 0.017 0.000 1.014 158 R HN 0.137 nan 8.270 nan 0.000 0.503 159 M N 3.840 123.468 119.600 0.046 0.000 2.228 159 M HA 0.226 4.705 4.480 -0.000 0.000 0.351 159 M C -1.961 174.370 176.300 0.052 0.000 1.233 159 M CA -1.618 53.709 55.300 0.045 0.000 1.129 159 M CB 0.987 33.618 32.600 0.052 0.000 1.604 159 M HN -0.118 nan 8.290 nan 0.000 0.457 160 P HA -0.017 nan 4.420 nan 0.000 0.266 160 P C 0.254 177.588 177.300 0.057 0.000 1.195 160 P CA 0.161 63.284 63.100 0.039 0.000 0.768 160 P CB 0.767 32.486 31.700 0.031 0.000 0.838 161 L N -1.764 119.489 121.223 0.050 0.000 4.759 161 L HA -0.281 4.059 4.340 -0.000 0.000 0.419 161 L C 0.764 177.746 176.870 0.187 0.000 1.093 161 L CA 0.750 55.647 54.840 0.095 0.000 1.037 161 L CB -1.949 40.175 42.059 0.108 0.000 2.095 161 L HN 0.627 nan 8.230 nan 0.000 0.739 162 N N 0.887 119.675 118.700 0.147 0.000 2.479 162 N HA 0.269 5.009 4.740 -0.000 0.000 0.257 162 N C 1.508 177.130 175.510 0.186 0.000 1.232 162 N CA 0.145 53.279 53.050 0.141 0.000 0.920 162 N CB 0.481 39.056 38.487 0.146 0.000 1.105 162 N HN 0.350 nan 8.380 nan 0.000 0.444 163 I N -2.070 118.488 120.570 -0.021 0.000 2.479 163 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 163 I C 0.401 176.392 176.117 -0.211 0.000 1.165 163 I CA 1.241 62.365 61.300 -0.293 0.000 1.422 163 I CB -0.584 36.981 38.000 -0.725 0.000 1.087 163 I HN 0.527 nan 8.210 nan 0.000 0.441 164 Y N 1.605 121.955 120.300 0.084 0.000 2.502 164 Y HA 0.123 4.673 4.550 -0.000 0.000 0.295 164 Y C 2.020 177.993 175.900 0.122 0.000 1.193 164 Y CA 0.354 58.518 58.100 0.108 0.000 1.295 164 Y CB -0.310 38.203 38.460 0.088 0.000 1.059 164 Y HN 0.323 nan 8.280 nan 0.000 0.514 165 E N -0.853 119.486 120.200 0.232 0.000 2.452 165 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 165 E C -0.375 176.200 176.600 -0.043 0.000 1.022 165 E CA -0.054 56.388 56.400 0.070 0.000 0.890 165 E CB 0.274 29.956 29.700 -0.031 0.000 0.918 165 E HN 0.193 nan 8.360 nan 0.000 0.496 166 F N 0.806 120.680 119.950 -0.127 0.000 2.380 166 F HA 0.388 4.915 4.527 -0.000 0.000 0.321 166 F C 1.373 177.008 175.800 -0.276 0.000 1.103 166 F CA -0.748 57.132 58.000 -0.200 0.000 1.067 166 F CB 0.441 39.301 39.000 -0.232 0.000 1.265 166 F HN -0.221 nan 8.300 nan 0.000 0.517 167 G N 0.299 108.918 108.800 -0.300 0.000 2.539 167 G HA2 0.276 4.235 3.960 -0.000 0.000 0.258 167 G HA3 0.276 4.235 3.960 -0.000 0.000 0.258 167 G C 0.715 175.190 174.900 -0.708 0.000 1.202 167 G CA -0.367 44.294 45.100 -0.732 0.000 0.851 167 G HN 0.665 nan 8.290 nan 0.000 0.556 168 S N 0.739 116.175 115.700 -0.441 0.000 2.393 168 S HA -0.279 4.190 4.470 -0.000 0.000 0.235 168 S C 1.946 176.393 174.600 -0.256 0.000 1.061 168 S CA 2.700 60.751 58.200 -0.249 0.000 1.129 168 S CB -0.645 62.336 63.200 -0.366 0.000 1.011 168 S HN 0.887 nan 8.310 nan 0.000 0.436 169 W N 2.232 123.538 121.300 0.010 0.000 2.321 169 W HA -0.047 4.613 4.660 -0.000 0.000 0.306 169 W C 2.325 178.918 176.519 0.125 0.000 1.217 169 W CA 1.005 58.395 57.345 0.074 0.000 1.257 169 W CB -1.126 28.482 29.460 0.245 0.000 1.145 169 W HN 0.237 nan 8.180 nan 0.000 0.509 170 A N 1.140 123.885 122.820 -0.126 0.000 1.873 170 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 170 A C 2.180 179.697 177.584 -0.111 0.000 1.186 170 A CA 1.983 54.056 52.037 0.060 0.000 0.616 170 A CB -1.017 18.020 19.000 0.062 0.000 0.823 170 A HN 0.355 nan 8.150 nan 0.000 0.442 171 R N -0.338 120.009 120.500 -0.255 0.000 2.136 171 R HA -0.250 4.090 4.340 -0.000 0.000 0.242 171 R C 2.309 178.347 176.300 -0.436 0.000 1.131 171 R CA 2.229 58.060 56.100 -0.448 0.000 0.937 171 R CB -0.542 29.563 30.300 -0.326 0.000 0.863 171 R HN 0.476 nan 8.270 nan 0.000 0.435 172 A N -0.853 121.890 122.820 -0.129 0.000 1.933 172 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 172 A C 2.192 179.777 177.584 0.001 0.000 1.175 172 A CA 2.051 54.125 52.037 0.062 0.000 0.628 172 A CB -0.837 18.337 19.000 0.290 0.000 0.814 172 A HN 0.523 nan 8.150 nan 0.000 0.444 173 T N -0.183 114.406 114.554 0.059 0.000 2.746 173 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 173 T C 1.892 176.575 174.700 -0.030 0.000 1.039 173 T CA 1.604 63.804 62.100 0.166 0.000 1.142 173 T CB -0.505 68.566 68.868 0.337 0.000 0.866 173 T HN 0.176 nan 8.240 nan 0.000 0.444 174 V N 1.416 121.205 119.914 -0.208 0.000 2.237 174 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 174 V C 2.714 178.562 176.094 -0.409 0.000 1.046 174 V CA 1.486 63.536 62.300 -0.417 0.000 1.007 174 V CB -0.949 30.459 31.823 -0.692 0.000 0.638 174 V HN 0.312 nan 8.190 nan 0.000 0.445 175 V N 0.555 120.201 119.914 -0.447 0.000 2.252 175 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 175 V C 2.765 178.718 176.094 -0.236 0.000 1.056 175 V CA 2.325 64.385 62.300 -0.400 0.000 1.022 175 V CB -1.439 30.091 31.823 -0.489 0.000 0.641 175 V HN 0.566 nan 8.190 nan 0.000 0.445 176 A N -0.385 122.340 122.820 -0.157 0.000 1.883 176 A HA -0.192 4.127 4.320 -0.000 0.000 0.217 176 A C 2.252 179.761 177.584 -0.126 0.000 1.186 176 A CA 2.079 54.051 52.037 -0.108 0.000 0.624 176 A CB -0.635 18.343 19.000 -0.038 0.000 0.822 176 A HN 0.508 nan 8.150 nan 0.000 0.444 177 L N 0.439 121.555 121.223 -0.177 0.000 2.141 177 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 177 L C 3.022 179.743 176.870 -0.248 0.000 1.094 177 L CA 1.435 56.130 54.840 -0.242 0.000 0.763 177 L CB -0.438 41.426 42.059 -0.326 0.000 0.908 177 L HN 0.666 nan 8.230 nan 0.000 0.437 178 S N 0.129 115.664 115.700 -0.275 0.000 2.400 178 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 178 S C 1.856 176.323 174.600 -0.222 0.000 1.025 178 S CA 1.062 59.103 58.200 -0.266 0.000 0.993 178 S CB -0.589 62.442 63.200 -0.282 0.000 0.808 178 S HN 0.408 nan 8.310 nan 0.000 0.478 179 I N 1.296 121.752 120.570 -0.189 0.000 2.286 179 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 179 I C 2.413 178.432 176.117 -0.163 0.000 1.104 179 I CA 0.928 62.134 61.300 -0.156 0.000 1.397 179 I CB -0.450 37.481 38.000 -0.115 0.000 1.072 179 I HN 0.230 nan 8.210 nan 0.000 0.417 180 V N 0.227 120.049 119.914 -0.154 0.000 2.307 180 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 180 V C 2.425 178.342 176.094 -0.296 0.000 1.045 180 V CA 1.797 64.008 62.300 -0.150 0.000 1.024 180 V CB -0.526 31.254 31.823 -0.072 0.000 0.651 180 V HN 0.361 nan 8.190 nan 0.000 0.449 181 M N 0.099 119.522 119.600 -0.295 0.000 2.229 181 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 181 M C 2.427 178.479 176.300 -0.413 0.000 1.063 181 M CA 1.700 56.764 55.300 -0.393 0.000 1.114 181 M CB -0.322 32.132 32.600 -0.243 0.000 1.387 181 M HN 0.386 nan 8.290 nan 0.000 0.420 182 S N -0.266 115.244 115.700 -0.317 0.000 2.399 182 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 182 S C 1.850 176.254 174.600 -0.326 0.000 1.022 182 S CA 1.103 59.124 58.200 -0.299 0.000 0.983 182 S CB -0.108 62.953 63.200 -0.232 0.000 0.803 182 S HN 0.395 nan 8.310 nan 0.000 0.480 183 R N 0.394 120.695 120.500 -0.332 0.000 2.308 183 R HA 0.268 4.608 4.340 -0.000 0.000 0.202 183 R C 0.190 176.235 176.300 -0.426 0.000 0.898 183 R CA 0.065 55.979 56.100 -0.309 0.000 1.046 183 R CB -0.694 29.479 30.300 -0.212 0.000 1.026 183 R HN 0.560 nan 8.270 nan 0.000 0.512 184 Q N 1.725 121.099 119.800 -0.710 0.000 2.413 184 Q HA -0.151 4.189 4.340 -0.000 0.000 0.364 184 Q C -2.071 173.527 176.000 -0.670 0.000 1.359 184 Q CA 0.131 55.187 55.803 -1.246 0.000 1.097 184 Q CB -1.033 27.004 28.738 -1.169 0.000 1.286 184 Q HN 0.287 nan 8.270 nan 0.000 0.358 185 P HA 0.327 nan 4.420 nan 0.000 0.279 185 P C -0.455 176.785 177.300 -0.101 0.000 1.252 185 P CA -0.344 62.605 63.100 -0.252 0.000 0.811 185 P CB 1.422 32.960 31.700 -0.270 0.000 1.035 186 V N 2.332 122.038 119.914 -0.347 0.000 2.577 186 V HA 0.332 4.452 4.120 -0.000 0.000 0.303 186 V C -0.732 175.084 176.094 -0.463 0.000 1.042 186 V CA -0.307 61.881 62.300 -0.186 0.000 0.872 186 V CB 1.361 33.208 31.823 0.039 0.000 0.998 186 V HN 0.336 nan 8.190 nan 0.000 0.423 187 F N 5.394 125.451 119.950 0.180 0.000 2.359 187 F HA 0.490 5.017 4.527 -0.000 0.000 0.370 187 F C -2.270 173.691 175.800 0.269 0.000 1.077 187 F CA -2.706 55.390 58.000 0.160 0.000 1.136 187 F CB 1.197 40.246 39.000 0.081 0.000 1.387 187 F HN 0.289 nan 8.300 nan 0.000 0.468 188 P HA 0.019 nan 4.420 nan 0.000 0.265 188 P C -0.186 177.314 177.300 0.334 0.000 1.187 188 P CA 0.269 63.527 63.100 0.263 0.000 0.766 188 P CB 0.734 32.543 31.700 0.182 0.000 0.820 189 L N 5.144 126.489 121.223 0.203 0.000 2.379 189 L HA 0.419 4.758 4.340 -0.000 0.000 0.269 189 L C -1.657 175.298 176.870 0.141 0.000 1.084 189 L CA -2.143 52.761 54.840 0.105 0.000 0.802 189 L CB 0.602 42.701 42.059 0.067 0.000 1.175 189 L HN 0.276 nan 8.230 nan 0.000 0.448 190 P HA 0.046 nan 4.420 nan 0.000 0.271 190 P C -0.054 177.293 177.300 0.080 0.000 1.218 190 P CA -0.194 62.969 63.100 0.105 0.000 0.780 190 P CB 0.730 32.473 31.700 0.072 0.000 0.901 191 E N 1.325 121.566 120.200 0.068 0.000 2.208 191 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 191 E C 2.020 178.651 176.600 0.052 0.000 1.014 191 E CA 1.184 57.620 56.400 0.060 0.000 0.819 191 E CB -0.135 29.594 29.700 0.050 0.000 0.735 191 E HN 0.460 nan 8.360 nan 0.000 0.469 192 R N 0.428 120.949 120.500 0.035 0.000 2.120 192 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 192 R C 1.735 178.050 176.300 0.026 0.000 1.123 192 R CA 1.291 57.403 56.100 0.020 0.000 0.975 192 R CB -0.033 30.262 30.300 -0.008 0.000 0.866 192 R HN 0.128 nan 8.270 nan 0.000 0.446 193 A N 1.098 123.942 122.820 0.040 0.000 2.345 193 A HA 0.164 4.484 4.320 -0.000 0.000 0.225 193 A C -0.031 177.613 177.584 0.100 0.000 1.243 193 A CA -0.368 51.708 52.037 0.065 0.000 0.875 193 A CB 0.023 19.091 19.000 0.113 0.000 0.929 193 A HN 0.070 nan 8.150 nan 0.000 0.502 194 R N -0.036 120.525 120.500 0.101 0.000 2.679 194 R HA 0.180 4.520 4.340 -0.000 0.000 0.268 194 R C 0.156 176.547 176.300 0.150 0.000 1.044 194 R CA 0.344 56.517 56.100 0.122 0.000 1.105 194 R CB 0.307 30.672 30.300 0.108 0.000 0.989 194 R HN 0.340 nan 8.270 nan 0.000 0.447 195 V N -0.107 119.918 119.914 0.185 0.000 2.592 195 V HA 0.205 4.324 4.120 -0.000 0.000 0.278 195 V C -1.656 174.586 176.094 0.246 0.000 1.087 195 V CA -1.193 61.245 62.300 0.230 0.000 1.282 195 V CB 1.011 32.995 31.823 0.268 0.000 1.543 195 V HN 0.554 nan 8.190 nan 0.000 0.606 196 P HA -0.158 nan 4.420 nan 0.000 0.222 196 P C 1.380 178.848 177.300 0.280 0.000 1.147 196 P CA 1.482 64.746 63.100 0.274 0.000 0.790 196 P CB 0.340 32.129 31.700 0.149 0.000 0.780 197 E N 0.804 121.117 120.200 0.188 0.000 2.396 197 E HA -0.137 4.213 4.350 -0.000 0.000 0.200 197 E C 1.848 178.485 176.600 0.061 0.000 1.023 197 E CA 0.750 57.223 56.400 0.122 0.000 0.857 197 E CB -1.099 28.664 29.700 0.106 0.000 0.775 197 E HN 0.352 nan 8.360 nan 0.000 0.525 198 L N -0.574 120.676 121.223 0.045 0.000 2.395 198 L HA -0.038 4.302 4.340 -0.000 0.000 0.218 198 L C 1.801 178.573 176.870 -0.164 0.000 1.130 198 L CA 0.748 55.516 54.840 -0.120 0.000 0.826 198 L CB -0.403 41.541 42.059 -0.193 0.000 0.941 198 L HN 0.021 nan 8.230 nan 0.000 0.451 199 Y N -0.081 120.235 120.300 0.027 0.000 2.397 199 Y HA 0.016 4.565 4.550 -0.000 0.000 0.292 199 Y C 1.162 177.071 175.900 0.015 0.000 1.115 199 Y CA -0.153 57.967 58.100 0.032 0.000 1.208 199 Y CB 0.034 38.520 38.460 0.044 0.000 1.046 199 Y HN 0.081 nan 8.280 nan 0.000 0.552 200 E N 1.644 121.943 120.200 0.164 0.000 1.909 200 E HA 0.055 4.404 4.350 -0.000 0.000 0.253 200 E C -0.667 175.959 176.600 0.043 0.000 1.268 200 E CA 0.414 56.869 56.400 0.090 0.000 0.999 200 E CB -0.271 29.473 29.700 0.073 0.000 1.072 200 E HN 0.077 nan 8.360 nan 0.000 0.428 201 T N 1.406 115.985 114.554 0.042 0.000 3.097 201 T HA 0.035 4.385 4.350 -0.000 0.000 0.332 201 T C 0.209 174.921 174.700 0.020 0.000 1.269 201 T CA -0.915 61.193 62.100 0.013 0.000 1.076 201 T CB 1.208 70.068 68.868 -0.014 0.000 1.209 201 T HN 0.422 nan 8.240 nan 0.000 0.474 202 D N 1.070 121.477 120.400 0.012 0.000 2.271 202 D HA 0.001 4.641 4.640 -0.000 0.000 0.206 202 D C 0.870 177.176 176.300 0.009 0.000 0.967 202 D CA 0.312 54.320 54.000 0.014 0.000 0.867 202 D CB -0.021 40.786 40.800 0.012 0.000 0.960 202 D HN 0.302 nan 8.370 nan 0.000 0.509 203 V N 3.975 123.888 119.914 -0.001 0.000 2.694 203 V HA 0.071 4.191 4.120 -0.000 0.000 0.306 203 V C -1.813 174.281 176.094 -0.001 0.000 1.054 203 V CA -0.846 61.450 62.300 -0.006 0.000 1.161 203 V CB 0.429 32.237 31.823 -0.024 0.000 0.916 203 V HN 0.169 nan 8.190 nan 0.000 0.490 204 P HA 0.196 nan 4.420 nan 0.000 0.271 204 P C -2.537 174.767 177.300 0.007 0.000 1.220 204 P CA -1.418 61.689 63.100 0.011 0.000 0.768 204 P CB 0.271 31.980 31.700 0.014 0.000 0.848 205 P HA 0.064 nan 4.420 nan 0.000 0.271 205 P C 0.010 177.319 177.300 0.015 0.000 1.233 205 P CA 0.062 63.168 63.100 0.010 0.000 0.764 205 P CB 0.428 32.144 31.700 0.026 0.000 0.825 206 R N 3.637 124.142 120.500 0.008 0.000 2.593 206 R HA 0.364 4.704 4.340 -0.000 0.000 0.282 206 R C 0.050 176.364 176.300 0.025 0.000 1.300 206 R CA -0.703 55.409 56.100 0.019 0.000 1.221 206 R CB 0.368 30.679 30.300 0.018 0.000 1.157 206 R HN 0.356 nan 8.270 nan 0.000 0.555 207 R N 2.431 122.950 120.500 0.032 0.000 2.442 207 R HA 0.078 4.417 4.340 -0.000 0.000 0.291 207 R C -0.296 176.027 176.300 0.039 0.000 1.069 207 R CA -0.179 55.942 56.100 0.036 0.000 1.022 207 R CB 0.766 31.093 30.300 0.044 0.000 0.976 207 R HN 0.497 nan 8.270 nan 0.000 0.443 208 R N 2.391 122.912 120.500 0.036 0.000 2.312 208 R HA 0.296 4.636 4.340 -0.000 0.000 0.311 208 R C -0.334 175.984 176.300 0.031 0.000 1.004 208 R CA -0.278 55.846 56.100 0.040 0.000 0.902 208 R CB 1.397 31.726 30.300 0.047 0.000 1.073 208 R HN 0.807 nan 8.270 nan 0.000 0.457 209 G N 1.659 110.480 108.800 0.035 0.000 2.557 209 G HA2 0.503 4.463 3.960 -0.000 0.000 0.302 209 G HA3 0.503 4.463 3.960 -0.000 0.000 0.302 209 G C -0.727 174.180 174.900 0.013 0.000 1.311 209 G CA -0.557 44.562 45.100 0.032 0.000 1.030 209 G HN 0.802 nan 8.290 nan 0.000 0.509 210 A N -0.288 122.535 122.820 0.006 0.000 2.547 210 A HA 0.265 4.585 4.320 -0.000 0.000 0.233 210 A C 1.631 179.206 177.584 -0.014 0.000 1.067 210 A CA -0.008 52.015 52.037 -0.023 0.000 0.763 210 A CB 0.277 19.252 19.000 -0.042 0.000 1.007 210 A HN 0.559 nan 8.150 nan 0.000 0.506 211 K N 1.339 121.710 120.400 -0.048 0.000 2.362 211 K HA -0.149 4.171 4.320 -0.000 0.000 0.202 211 K C 1.220 177.805 176.600 -0.026 0.000 1.045 211 K CA 1.542 57.800 56.287 -0.049 0.000 0.936 211 K CB -0.225 32.220 32.500 -0.092 0.000 0.747 211 K HN 0.820 nan 8.250 nan 0.000 0.467 212 G N -0.122 108.677 108.800 -0.000 0.000 4.250 212 G HA2 0.407 4.367 3.960 -0.000 0.000 0.295 212 G HA3 0.407 4.367 3.960 -0.000 0.000 0.295 212 G C -0.082 174.946 174.900 0.214 0.000 1.081 212 G CA 0.124 45.274 45.100 0.083 0.000 0.854 212 G HN 0.331 nan 8.290 nan 0.000 0.524 213 G N -0.919 107.957 108.800 0.126 0.000 2.862 213 G HA2 0.411 4.370 3.960 -0.000 0.000 0.686 213 G HA3 0.411 4.370 3.960 -0.000 0.000 0.686 213 G C 0.281 175.241 174.900 0.100 0.000 1.134 213 G CA -0.340 44.819 45.100 0.099 0.000 0.791 213 G HN 1.110 nan 8.290 nan 0.000 0.592 214 G N 0.559 109.408 108.800 0.081 0.000 2.353 214 G HA2 0.773 4.733 3.960 -0.000 0.000 0.284 214 G HA3 0.773 4.733 3.960 -0.000 0.000 0.284 214 G C 0.623 175.605 174.900 0.138 0.000 1.172 214 G CA 0.522 45.682 45.100 0.099 0.000 0.854 214 G HN 1.572 nan 8.290 nan 0.000 0.485 215 G N 1.390 110.328 108.800 0.231 0.000 2.377 215 G HA2 0.404 4.364 3.960 -0.000 0.000 0.299 215 G HA3 0.404 4.364 3.960 -0.000 0.000 0.299 215 G C 0.923 175.907 174.900 0.141 0.000 1.150 215 G CA -0.671 44.538 45.100 0.183 0.000 0.847 215 G HN 0.816 nan 8.290 nan 0.000 0.501 216 W N 2.593 123.943 121.300 0.083 0.000 2.525 216 W HA -0.047 4.613 4.660 -0.000 0.000 0.259 216 W C 1.101 177.623 176.519 0.005 0.000 1.253 216 W CA 0.200 57.576 57.345 0.051 0.000 1.262 216 W CB -0.610 28.860 29.460 0.017 0.000 1.122 216 W HN 0.455 nan 8.180 nan 0.000 0.607 217 I N 0.597 120.507 120.570 -1.101 0.000 2.142 217 I HA -0.271 3.898 4.170 -0.000 0.000 0.240 217 I C 2.469 178.253 176.117 -0.554 0.000 1.078 217 I CA 1.774 62.374 61.300 -1.167 0.000 1.343 217 I CB -1.180 35.957 38.000 -1.438 0.000 1.046 217 I HN -0.240 nan 8.210 nan 0.000 0.405 218 F N 1.227 121.048 119.950 -0.214 0.000 2.171 218 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 218 F C 2.303 178.103 175.800 0.000 0.000 1.090 218 F CA 1.631 59.586 58.000 -0.075 0.000 1.293 218 F CB -0.900 38.079 39.000 -0.034 0.000 1.013 218 F HN 0.131 nan 8.300 nan 0.000 0.486 219 D N 0.443 120.976 120.400 0.222 0.000 2.123 219 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 219 D C 2.184 178.586 176.300 0.169 0.000 0.992 219 D CA 1.482 55.602 54.000 0.200 0.000 0.833 219 D CB -0.250 40.679 40.800 0.215 0.000 0.954 219 D HN 0.169 nan 8.370 nan 0.000 0.455 220 A N 0.050 122.954 122.820 0.140 0.000 1.854 220 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 220 A C 2.169 179.809 177.584 0.095 0.000 1.192 220 A CA 1.311 53.430 52.037 0.136 0.000 0.611 220 A CB -1.023 18.077 19.000 0.167 0.000 0.832 220 A HN 0.356 nan 8.150 nan 0.000 0.442 221 L N 0.721 121.968 121.223 0.041 0.000 2.021 221 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 221 L C 1.885 178.808 176.870 0.089 0.000 1.074 221 L CA 2.935 57.796 54.840 0.035 0.000 0.760 221 L CB -0.967 41.096 42.059 0.008 0.000 0.889 221 L HN 0.551 nan 8.230 nan 0.000 0.433 222 D N -1.043 119.440 120.400 0.139 0.000 2.092 222 D HA -0.227 4.412 4.640 -0.000 0.000 0.193 222 D C 2.253 178.704 176.300 0.251 0.000 0.994 222 D CA 1.682 55.793 54.000 0.185 0.000 0.828 222 D CB -0.014 40.926 40.800 0.233 0.000 0.963 222 D HN 0.363 nan 8.370 nan 0.000 0.450 223 R N 0.141 120.776 120.500 0.226 0.000 2.120 223 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 223 R C 2.347 178.760 176.300 0.188 0.000 1.123 223 R CA 1.056 57.286 56.100 0.217 0.000 0.975 223 R CB -0.316 30.072 30.300 0.147 0.000 0.866 223 R HN 0.168 nan 8.270 nan 0.000 0.446 224 A N 1.624 124.528 122.820 0.140 0.000 1.855 224 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 224 A C 2.213 179.882 177.584 0.142 0.000 1.191 224 A CA 1.056 53.160 52.037 0.113 0.000 0.613 224 A CB -0.571 18.465 19.000 0.060 0.000 0.829 224 A HN 0.165 nan 8.150 nan 0.000 0.442 225 L N -1.454 119.837 121.223 0.113 0.000 2.043 225 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 225 L C 2.561 179.482 176.870 0.085 0.000 1.075 225 L CA 1.903 56.796 54.840 0.088 0.000 0.752 225 L CB -0.699 41.352 42.059 -0.014 0.000 0.891 225 L HN 0.521 nan 8.230 nan 0.000 0.432 226 H N -1.165 117.977 119.070 0.119 0.000 2.462 226 H HA -0.064 4.492 4.556 -0.000 0.000 0.292 226 H C 2.195 177.583 175.328 0.099 0.000 1.049 226 H CA 1.067 57.174 56.048 0.099 0.000 1.334 226 H CB -0.114 29.706 29.762 0.095 0.000 1.404 226 H HN 0.323 nan 8.280 nan 0.000 0.544 227 G N -0.328 108.611 108.800 0.232 0.000 2.404 227 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.214 227 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.214 227 G C 1.474 176.485 174.900 0.185 0.000 1.189 227 G CA 0.638 45.842 45.100 0.173 0.000 0.789 227 G HN 0.435 nan 8.290 nan 0.000 0.533 228 Y N 1.043 121.391 120.300 0.080 0.000 2.256 228 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 228 Y C 2.824 178.836 175.900 0.187 0.000 1.155 228 Y CA 1.772 59.932 58.100 0.099 0.000 1.203 228 Y CB -0.045 38.464 38.460 0.082 0.000 0.980 228 Y HN 0.149 nan 8.280 nan 0.000 0.530 229 Q N 0.556 120.416 119.800 0.100 0.000 2.291 229 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 229 Q C 1.467 177.503 176.000 0.060 0.000 0.976 229 Q CA 1.427 57.225 55.803 -0.009 0.000 0.875 229 Q CB -0.068 28.656 28.738 -0.024 0.000 0.927 229 Q HN 0.576 nan 8.270 nan 0.000 0.450 230 K N -0.356 120.083 120.400 0.065 0.000 2.374 230 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 230 K C 0.480 177.065 176.600 -0.024 0.000 1.023 230 K CA -0.148 56.158 56.287 0.032 0.000 1.103 230 K CB 0.516 33.039 32.500 0.039 0.000 0.848 230 K HN 0.114 nan 8.250 nan 0.000 0.528 231 L N 0.723 121.889 121.223 -0.095 0.000 2.452 231 L HA 0.011 4.351 4.340 -0.000 0.000 0.267 231 L C 1.801 178.466 176.870 -0.342 0.000 1.188 231 L CA -0.048 54.648 54.840 -0.240 0.000 0.821 231 L CB 1.023 42.863 42.059 -0.365 0.000 1.102 231 L HN 0.058 nan 8.230 nan 0.000 0.470 232 S N 1.265 116.811 115.700 -0.258 0.000 2.428 232 S HA -0.012 4.458 4.470 -0.000 0.000 0.230 232 S C 0.263 174.690 174.600 -0.288 0.000 1.014 232 S CA 0.404 58.482 58.200 -0.204 0.000 0.957 232 S CB 0.056 63.182 63.200 -0.123 0.000 0.784 232 S HN 0.447 nan 8.310 nan 0.000 0.499 233 V N 0.186 119.836 119.914 -0.439 0.000 2.709 233 V HA 0.706 4.826 4.120 -0.000 0.000 0.308 233 V C -1.692 174.025 176.094 -0.628 0.000 1.062 233 V CA -0.986 61.082 62.300 -0.387 0.000 0.901 233 V CB 1.440 33.153 31.823 -0.183 0.000 1.003 233 V HN 0.314 nan 8.190 nan 0.000 0.425 234 H N 4.474 123.464 119.070 -0.134 0.000 2.991 234 H HA 0.581 5.137 4.556 -0.000 0.000 0.304 234 H C -2.715 172.616 175.328 0.006 0.000 1.040 234 H CA -1.492 54.489 56.048 -0.111 0.000 1.410 234 H CB 1.552 31.168 29.762 -0.243 0.000 1.529 234 H HN 0.673 nan 8.280 nan 0.000 0.509 235 P HA -0.056 nan 4.420 nan 0.000 0.267 235 P C -0.136 177.153 177.300 -0.018 0.000 1.205 235 P CA 0.035 63.053 63.100 -0.137 0.000 0.765 235 P CB 0.547 31.990 31.700 -0.429 0.000 0.828 236 F N -0.365 119.662 119.950 0.128 0.000 2.914 236 F HA -0.224 4.303 4.527 -0.000 0.000 0.304 236 F C 1.756 177.710 175.800 0.258 0.000 0.712 236 F CA 0.846 58.952 58.000 0.176 0.000 1.211 236 F CB -2.239 36.828 39.000 0.112 0.000 1.515 236 F HN 0.359 nan 8.300 nan 0.000 0.350 237 R N 1.158 121.866 120.500 0.347 0.000 2.061 237 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 237 R C 2.227 178.606 176.300 0.130 0.000 1.140 237 R CA 2.216 58.444 56.100 0.214 0.000 0.940 237 R CB -0.466 29.904 30.300 0.117 0.000 0.839 237 R HN 0.370 nan 8.270 nan 0.000 0.429 238 R N -0.474 120.096 120.500 0.116 0.000 2.170 238 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 238 R C 1.987 178.330 176.300 0.071 0.000 1.145 238 R CA 1.439 57.579 56.100 0.067 0.000 0.984 238 R CB -0.302 30.038 30.300 0.065 0.000 0.869 238 R HN 0.393 nan 8.270 nan 0.000 0.455 239 A N 0.080 122.983 122.820 0.139 0.000 1.968 239 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 239 A C 2.189 179.807 177.584 0.055 0.000 1.169 239 A CA 1.310 53.425 52.037 0.130 0.000 0.638 239 A CB -0.316 18.800 19.000 0.194 0.000 0.812 239 A HN 0.418 nan 8.150 nan 0.000 0.446 240 A N -0.031 122.794 122.820 0.009 0.000 1.929 240 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 240 A C 1.879 179.327 177.584 -0.227 0.000 1.176 240 A CA 1.404 53.227 52.037 -0.357 0.000 0.628 240 A CB -0.442 18.328 19.000 -0.384 0.000 0.816 240 A HN 0.593 nan 8.150 nan 0.000 0.444 241 E N -0.104 120.028 120.200 -0.113 0.000 2.058 241 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 241 E C 1.859 178.417 176.600 -0.071 0.000 0.997 241 E CA 1.410 57.751 56.400 -0.097 0.000 0.801 241 E CB -0.342 29.318 29.700 -0.066 0.000 0.746 241 E HN 0.689 nan 8.360 nan 0.000 0.450 242 I N 0.888 121.433 120.570 -0.042 0.000 2.286 242 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 242 I C 2.466 178.575 176.117 -0.013 0.000 1.115 242 I CA 0.809 62.099 61.300 -0.017 0.000 1.392 242 I CB -0.235 37.767 38.000 0.003 0.000 1.065 242 I HN 0.054 nan 8.210 nan 0.000 0.418 243 R N 0.926 121.397 120.500 -0.049 0.000 2.081 243 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 243 R C 2.357 178.666 176.300 0.015 0.000 1.131 243 R CA 1.638 57.718 56.100 -0.034 0.000 0.960 243 R CB -0.914 29.300 30.300 -0.143 0.000 0.856 243 R HN 0.388 nan 8.270 nan 0.000 0.436 244 A N 1.417 124.206 122.820 -0.052 0.000 1.873 244 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 244 A C 2.229 179.856 177.584 0.072 0.000 1.186 244 A CA 1.169 53.189 52.037 -0.028 0.000 0.616 244 A CB -0.605 18.319 19.000 -0.127 0.000 0.823 244 A HN 0.230 nan 8.150 nan 0.000 0.442 245 L N 0.317 121.556 121.223 0.027 0.000 1.989 245 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 245 L C 1.686 178.609 176.870 0.088 0.000 1.071 245 L CA 2.773 57.637 54.840 0.040 0.000 0.749 245 L CB -0.823 41.240 42.059 0.006 0.000 0.890 245 L HN 0.359 nan 8.230 nan 0.000 0.431 246 D N -1.205 119.244 120.400 0.082 0.000 2.104 246 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 246 D C 1.796 178.153 176.300 0.095 0.000 0.994 246 D CA 1.611 55.658 54.000 0.077 0.000 0.830 246 D CB -0.594 40.242 40.800 0.059 0.000 0.959 246 D HN 0.599 nan 8.370 nan 0.000 0.452 247 W N 1.490 122.788 121.300 -0.003 0.000 2.321 247 W HA -0.178 4.482 4.660 -0.000 0.000 0.306 247 W C 2.098 178.659 176.519 0.069 0.000 1.217 247 W CA 1.320 58.669 57.345 0.006 0.000 1.257 247 W CB -0.355 29.087 29.460 -0.030 0.000 1.145 247 W HN -0.051 nan 8.180 nan 0.000 0.509 248 L N -0.387 121.009 121.223 0.289 0.000 2.005 248 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 248 L C 2.522 179.627 176.870 0.391 0.000 1.072 248 L CA 1.309 56.354 54.840 0.343 0.000 0.744 248 L CB -1.155 41.024 42.059 0.199 0.000 0.895 248 L HN -0.007 nan 8.230 nan 0.000 0.433 249 L N -0.400 120.964 121.223 0.234 0.000 2.127 249 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 249 L C 2.469 179.374 176.870 0.057 0.000 1.089 249 L CA 1.330 56.280 54.840 0.183 0.000 0.757 249 L CB -0.592 41.536 42.059 0.114 0.000 0.899 249 L HN 0.347 nan 8.230 nan 0.000 0.434 250 E N -0.054 120.111 120.200 -0.059 0.000 2.152 250 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 250 E C 1.944 178.369 176.600 -0.292 0.000 0.983 250 E CA 0.735 57.020 56.400 -0.192 0.000 0.818 250 E CB 0.038 29.553 29.700 -0.308 0.000 0.758 250 E HN 0.381 nan 8.360 nan 0.000 0.467 251 R N 0.743 121.069 120.500 -0.291 0.000 2.362 251 R HA 0.091 4.431 4.340 -0.000 0.000 0.227 251 R C 0.384 176.673 176.300 -0.018 0.000 0.905 251 R CA -0.166 55.795 56.100 -0.231 0.000 1.067 251 R CB 0.347 30.387 30.300 -0.434 0.000 1.078 251 R HN 0.080 nan 8.270 nan 0.000 0.516 252 Q N 1.004 120.675 119.800 -0.215 0.000 2.286 252 Q HA 0.107 4.447 4.340 -0.000 0.000 0.290 252 Q C -0.577 175.156 176.000 -0.444 0.000 1.049 252 Q CA -0.180 55.154 55.803 -0.783 0.000 0.923 252 Q CB 0.817 29.064 28.738 -0.819 0.000 1.183 252 Q HN 0.229 nan 8.270 nan 0.000 0.383 253 A N 3.309 125.804 122.820 -0.541 0.000 2.346 253 A HA 0.363 4.682 4.320 -0.000 0.000 0.252 253 A C 1.173 178.572 177.584 -0.308 0.000 1.089 253 A CA 0.156 51.992 52.037 -0.334 0.000 0.797 253 A CB 0.276 19.104 19.000 -0.287 0.000 1.047 253 A HN 1.042 nan 8.150 nan 0.000 0.494 254 G N 0.315 108.979 108.800 -0.227 0.000 2.469 254 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 254 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 254 G C 0.727 175.537 174.900 -0.150 0.000 1.136 254 G CA 1.455 46.450 45.100 -0.175 0.000 0.759 254 G HN 0.898 nan 8.290 nan 0.000 0.562 255 D N -0.818 119.495 120.400 -0.146 0.000 2.371 255 D HA 0.235 4.875 4.640 -0.000 0.000 0.221 255 D C 1.765 177.984 176.300 -0.135 0.000 0.986 255 D CA 0.978 54.929 54.000 -0.082 0.000 0.899 255 D CB -0.474 40.343 40.800 0.030 0.000 0.902 255 D HN 0.583 nan 8.370 nan 0.000 0.530 256 G N -0.440 108.183 108.800 -0.296 0.000 2.176 256 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 256 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 256 G C 0.563 175.022 174.900 -0.735 0.000 0.986 256 G CA 0.446 45.343 45.100 -0.338 0.000 0.643 256 G HN 0.799 nan 8.290 nan 0.000 0.522 257 S N -0.976 114.043 115.700 -1.135 0.000 2.552 257 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 257 S C -0.126 173.906 174.600 -0.947 0.000 1.168 257 S CA -0.388 56.703 58.200 -1.849 0.000 1.026 257 S CB 1.165 63.268 63.200 -1.828 0.000 1.120 257 S HN 0.662 nan 8.310 nan 0.000 0.514 258 W N 0.000 121.009 121.300 -0.485 0.000 2.604 258 W HA 0.470 5.130 4.660 -0.000 0.000 0.302 258 W C 0.665 177.169 176.519 -0.026 0.000 1.013 258 W CA -0.088 57.199 57.345 -0.097 0.000 1.338 258 W CB 0.941 30.427 29.460 0.045 0.000 1.233 258 W HN 1.313 nan 8.180 nan 0.000 0.390 259 G N 1.142 110.026 108.800 0.141 0.000 2.199 259 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 259 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 259 G C 0.978 175.943 174.900 0.107 0.000 0.982 259 G CA 0.482 45.608 45.100 0.043 0.000 0.632 259 G HN 1.603 nan 8.290 nan 0.000 0.529 260 G N -0.445 108.414 108.800 0.097 0.000 2.160 260 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.251 260 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.251 260 G C 0.377 175.466 174.900 0.315 0.000 1.008 260 G CA 1.074 46.300 45.100 0.211 0.000 0.724 260 G HN 2.182 nan 8.290 nan 0.000 0.514 261 I N -3.953 116.775 120.570 0.263 0.000 2.934 261 I HA 0.736 4.906 4.170 -0.000 0.000 0.306 261 I C 1.128 177.430 176.117 0.308 0.000 1.110 261 I CA -0.891 60.569 61.300 0.267 0.000 1.019 261 I CB 1.643 39.756 38.000 0.187 0.000 1.227 261 I HN 0.053 nan 8.210 nan 0.000 0.434 262 Q N 2.381 122.292 119.800 0.184 0.000 2.123 262 Q HA 0.137 4.477 4.340 -0.000 0.000 0.199 262 Q C -1.434 174.419 176.000 -0.245 0.000 0.966 262 Q CA 1.390 57.182 55.803 -0.017 0.000 0.845 262 Q CB -1.848 26.715 28.738 -0.293 0.000 0.907 262 Q HN 0.577 nan 8.270 nan 0.000 0.439 263 P HA -0.141 nan 4.420 nan 0.000 0.210 263 P C -1.406 175.785 177.300 -0.181 0.000 1.185 263 P CA 2.186 65.101 63.100 -0.309 0.000 0.924 263 P CB -1.340 30.319 31.700 -0.068 0.000 0.786 264 P HA -0.200 nan 4.420 nan 0.000 0.218 264 P C 1.516 178.964 177.300 0.247 0.000 1.149 264 P CA 1.352 64.588 63.100 0.227 0.000 0.817 264 P CB -0.523 31.324 31.700 0.245 0.000 0.785 265 W N 0.720 122.121 121.300 0.169 0.000 2.355 265 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 265 W C 1.947 178.624 176.519 0.264 0.000 1.206 265 W CA 0.839 58.386 57.345 0.337 0.000 1.284 265 W CB -1.466 28.210 29.460 0.360 0.000 1.145 265 W HN -0.172 nan 8.180 nan 0.000 0.502 266 F N -0.552 119.386 119.950 -0.020 0.000 2.113 266 F HA -0.176 4.350 4.527 -0.000 0.000 0.297 266 F C 2.264 177.990 175.800 -0.124 0.000 1.103 266 F CA 1.434 59.319 58.000 -0.191 0.000 1.248 266 F CB -1.617 37.197 39.000 -0.312 0.000 0.999 266 F HN -0.175 nan 8.300 nan 0.000 0.475 267 Y N -0.183 120.244 120.300 0.212 0.000 2.242 267 Y HA -0.034 4.515 4.550 -0.000 0.000 0.291 267 Y C 2.495 178.360 175.900 -0.058 0.000 1.137 267 Y CA 0.382 58.499 58.100 0.028 0.000 1.181 267 Y CB -1.585 36.870 38.460 -0.008 0.000 0.989 267 Y HN 0.015 nan 8.280 nan 0.000 0.527 268 A N 0.330 123.130 122.820 -0.033 0.000 1.877 268 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 268 A C 2.336 179.822 177.584 -0.163 0.000 1.186 268 A CA 1.610 53.420 52.037 -0.379 0.000 0.620 268 A CB -1.167 17.107 19.000 -1.211 0.000 0.822 268 A HN 0.449 nan 8.150 nan 0.000 0.443 269 L N -0.600 120.629 121.223 0.009 0.000 2.042 269 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 269 L C 2.507 179.472 176.870 0.158 0.000 1.076 269 L CA 1.398 56.307 54.840 0.114 0.000 0.749 269 L CB -0.461 41.626 42.059 0.048 0.000 0.893 269 L HN 0.417 nan 8.230 nan 0.000 0.432 270 I N -0.604 120.030 120.570 0.106 0.000 2.252 270 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 270 I C 2.792 178.973 176.117 0.108 0.000 1.102 270 I CA 1.034 62.399 61.300 0.109 0.000 1.385 270 I CB -0.479 37.596 38.000 0.125 0.000 1.064 270 I HN 0.193 nan 8.210 nan 0.000 0.414 271 A N 1.200 124.062 122.820 0.070 0.000 1.883 271 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 271 A C 2.305 179.915 177.584 0.043 0.000 1.186 271 A CA 1.534 53.587 52.037 0.027 0.000 0.624 271 A CB -0.955 18.026 19.000 -0.031 0.000 0.822 271 A HN 0.387 nan 8.150 nan 0.000 0.444 272 L N -0.857 120.418 121.223 0.086 0.000 2.083 272 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 272 L C 2.609 179.524 176.870 0.076 0.000 1.083 272 L CA 1.809 56.724 54.840 0.125 0.000 0.752 272 L CB -0.410 41.837 42.059 0.313 0.000 0.899 272 L HN 0.402 nan 8.230 nan 0.000 0.433 273 K N 1.226 121.693 120.400 0.113 0.000 2.097 273 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 273 K C 1.797 178.409 176.600 0.020 0.000 1.050 273 K CA 1.557 57.845 56.287 0.001 0.000 0.938 273 K CB -0.352 32.165 32.500 0.028 0.000 0.718 273 K HN 0.228 nan 8.250 nan 0.000 0.442 274 I N 0.523 121.137 120.570 0.073 0.000 2.361 274 I HA -0.193 3.976 4.170 -0.000 0.000 0.251 274 I C 1.386 177.511 176.117 0.014 0.000 1.133 274 I CA 0.910 62.254 61.300 0.073 0.000 1.413 274 I CB -0.147 37.887 38.000 0.058 0.000 1.073 274 I HN 0.061 nan 8.210 nan 0.000 0.424 275 L N 0.651 121.872 121.223 -0.003 0.000 2.645 275 L HA 0.035 4.374 4.340 -0.000 0.000 0.234 275 L C 0.149 177.001 176.870 -0.030 0.000 1.165 275 L CA 0.085 54.914 54.840 -0.019 0.000 0.944 275 L CB -0.538 41.508 42.059 -0.021 0.000 1.149 275 L HN 0.229 nan 8.230 nan 0.000 0.446 276 D N -0.692 119.681 120.400 -0.045 0.000 3.070 276 D HA -0.250 4.390 4.640 -0.000 0.000 0.220 276 D C 0.737 176.982 176.300 -0.092 0.000 1.176 276 D CA 1.301 55.259 54.000 -0.069 0.000 0.924 276 D CB -0.839 39.936 40.800 -0.041 0.000 1.124 276 D HN 0.372 nan 8.370 nan 0.000 0.411 277 M N 0.019 119.561 119.600 -0.096 0.000 2.854 277 M HA 0.063 4.543 4.480 -0.000 0.000 0.251 277 M C 1.618 177.791 176.300 -0.212 0.000 1.301 277 M CA 0.403 55.662 55.300 -0.068 0.000 1.059 277 M CB -0.021 32.560 32.600 -0.031 0.000 1.419 277 M HN 0.043 nan 8.290 nan 0.000 0.467 278 T N -2.327 111.958 114.554 -0.447 0.000 3.035 278 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 278 T C 1.185 175.577 174.700 -0.514 0.000 1.109 278 T CA 0.719 62.228 62.100 -0.985 0.000 1.119 278 T CB -0.153 68.246 68.868 -0.782 0.000 0.900 278 T HN 0.659 nan 8.240 nan 0.000 0.503 279 Q N 0.370 120.070 119.800 -0.167 0.000 2.182 279 Q HA 0.249 4.589 4.340 -0.000 0.000 0.270 279 Q C -0.354 175.697 176.000 0.084 0.000 0.861 279 Q CA -0.607 55.188 55.803 -0.014 0.000 1.098 279 Q CB 0.120 28.840 28.738 -0.030 0.000 1.188 279 Q HN 0.551 nan 8.270 nan 0.000 0.464 280 H N 1.097 120.199 119.070 0.055 0.000 2.472 280 H HA 0.239 4.795 4.556 -0.000 0.000 0.338 280 H C -2.111 173.326 175.328 0.181 0.000 1.133 280 H CA -1.810 54.301 56.048 0.105 0.000 1.216 280 H CB 2.195 32.021 29.762 0.107 0.000 1.497 280 H HN -0.166 nan 8.280 nan 0.000 0.500 281 P HA -0.228 nan 4.420 nan 0.000 0.217 281 P C 1.145 178.636 177.300 0.318 0.000 1.158 281 P CA 2.740 65.899 63.100 0.099 0.000 0.887 281 P CB 0.010 31.660 31.700 -0.084 0.000 0.792 282 A N -1.762 121.403 122.820 0.574 0.000 1.940 282 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 282 A C 2.129 179.990 177.584 0.462 0.000 1.176 282 A CA 1.568 53.865 52.037 0.434 0.000 0.631 282 A CB -1.749 17.503 19.000 0.421 0.000 0.814 282 A HN 0.182 nan 8.150 nan 0.000 0.446 283 F N 0.836 121.012 119.950 0.376 0.000 2.060 283 F HA -0.150 4.377 4.527 -0.000 0.000 0.295 283 F C 2.021 178.019 175.800 0.331 0.000 1.120 283 F CA 1.576 59.775 58.000 0.332 0.000 1.205 283 F CB -0.200 38.937 39.000 0.228 0.000 0.986 283 F HN 0.132 nan 8.300 nan 0.000 0.470 284 I N 1.044 121.946 120.570 0.554 0.000 2.091 284 I HA -0.370 3.799 4.170 -0.000 0.000 0.240 284 I C 2.406 178.693 176.117 0.284 0.000 1.046 284 I CA 1.948 63.489 61.300 0.403 0.000 1.306 284 I CB -1.744 36.440 38.000 0.306 0.000 1.018 284 I HN 0.201 nan 8.210 nan 0.000 0.404 285 K N 1.234 121.770 120.400 0.228 0.000 2.063 285 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 285 K C 2.123 178.836 176.600 0.187 0.000 1.048 285 K CA 1.816 58.200 56.287 0.161 0.000 0.928 285 K CB -1.018 31.536 32.500 0.090 0.000 0.713 285 K HN 0.360 nan 8.250 nan 0.000 0.442 286 G N 0.480 109.415 108.800 0.226 0.000 2.446 286 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 286 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 286 G C 1.435 176.618 174.900 0.471 0.000 1.168 286 G CA 0.835 46.176 45.100 0.402 0.000 0.771 286 G HN 0.546 nan 8.290 nan 0.000 0.551 287 W N 2.364 123.660 121.300 -0.006 0.000 2.354 287 W HA -0.129 4.531 4.660 -0.000 0.000 0.315 287 W C 2.496 179.063 176.519 0.080 0.000 1.206 287 W CA 1.750 59.034 57.345 -0.102 0.000 1.290 287 W CB -0.122 29.173 29.460 -0.275 0.000 1.152 287 W HN 0.541 nan 8.180 nan 0.000 0.489 288 E N -0.158 120.066 120.200 0.040 0.000 2.338 288 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 288 E C 2.114 178.755 176.600 0.068 0.000 1.007 288 E CA 1.259 57.648 56.400 -0.020 0.000 0.849 288 E CB -0.961 28.819 29.700 0.133 0.000 0.774 288 E HN 0.244 nan 8.360 nan 0.000 0.506 289 G N 1.512 110.445 108.800 0.221 0.000 2.484 289 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 289 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 289 G C 1.546 176.790 174.900 0.575 0.000 1.130 289 G CA 0.189 45.525 45.100 0.392 0.000 0.784 289 G HN 0.157 nan 8.290 nan 0.000 0.543 290 L N 0.345 121.765 121.223 0.329 0.000 2.043 290 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 290 L C 2.820 179.874 176.870 0.307 0.000 1.075 290 L CA 1.069 55.993 54.840 0.140 0.000 0.752 290 L CB -0.284 41.639 42.059 -0.225 0.000 0.891 290 L HN 0.154 nan 8.230 nan 0.000 0.432 291 E N -0.049 120.259 120.200 0.181 0.000 2.219 291 E HA -0.262 4.087 4.350 -0.000 0.000 0.198 291 E C 2.073 178.811 176.600 0.229 0.000 0.998 291 E CA 1.178 57.696 56.400 0.198 0.000 0.818 291 E CB -0.312 29.450 29.700 0.103 0.000 0.741 291 E HN 0.339 nan 8.360 nan 0.000 0.477 292 L N -0.425 120.973 121.223 0.292 0.000 2.217 292 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 292 L C 1.615 178.589 176.870 0.172 0.000 1.107 292 L CA 1.420 56.414 54.840 0.258 0.000 0.783 292 L CB -0.290 41.936 42.059 0.278 0.000 0.919 292 L HN -0.001 nan 8.230 nan 0.000 0.442 293 Y N -0.424 119.868 120.300 -0.013 0.000 2.500 293 Y HA 0.374 4.923 4.550 -0.000 0.000 0.270 293 Y C 1.659 177.153 175.900 -0.677 0.000 1.134 293 Y CA -0.129 57.753 58.100 -0.364 0.000 1.293 293 Y CB -0.586 37.443 38.460 -0.719 0.000 1.063 293 Y HN 0.147 nan 8.280 nan 0.000 0.534 294 G N 0.403 109.044 108.800 -0.266 0.000 2.444 294 G HA2 0.461 4.421 3.960 -0.000 0.000 0.268 294 G HA3 0.461 4.421 3.960 -0.000 0.000 0.268 294 G C -1.087 173.546 174.900 -0.446 0.000 1.203 294 G CA -0.150 44.681 45.100 -0.448 0.000 0.835 294 G HN -0.085 nan 8.290 nan 0.000 0.543 295 V N 1.421 120.833 119.914 -0.836 0.000 2.656 295 V HA 0.336 4.456 4.120 -0.000 0.000 0.307 295 V C -0.402 175.432 176.094 -0.432 0.000 1.051 295 V CA -0.872 61.116 62.300 -0.520 0.000 0.893 295 V CB 1.958 33.484 31.823 -0.495 0.000 0.999 295 V HN 0.836 nan 8.190 nan 0.000 0.426 296 E N 3.317 123.422 120.200 -0.159 0.000 2.167 296 E HA 0.538 4.887 4.350 -0.000 0.000 0.284 296 E C -1.028 175.468 176.600 -0.173 0.000 1.016 296 E CA -0.156 56.211 56.400 -0.056 0.000 0.817 296 E CB 0.929 30.637 29.700 0.013 0.000 1.080 296 E HN 0.547 nan 8.360 nan 0.000 0.397 297 L N 4.008 125.078 121.223 -0.255 0.000 2.334 297 L HA 0.240 4.580 4.340 -0.000 0.000 0.277 297 L C 1.043 177.727 176.870 -0.310 0.000 1.075 297 L CA -0.452 54.169 54.840 -0.366 0.000 0.804 297 L CB 1.238 42.882 42.059 -0.692 0.000 1.174 297 L HN 0.706 nan 8.230 nan 0.000 0.438 298 D N 0.330 120.619 120.400 -0.185 0.000 2.182 298 D HA -0.316 4.324 4.640 -0.000 0.000 0.201 298 D C 1.428 177.725 176.300 -0.006 0.000 0.986 298 D CA 1.581 55.542 54.000 -0.065 0.000 0.847 298 D CB -0.388 40.413 40.800 0.001 0.000 0.942 298 D HN 0.646 nan 8.370 nan 0.000 0.467 299 Y N -1.520 118.774 120.300 -0.009 0.000 2.553 299 Y HA 0.403 4.953 4.550 -0.000 0.000 0.303 299 Y C 1.651 177.569 175.900 0.031 0.000 1.194 299 Y CA -0.412 57.694 58.100 0.010 0.000 1.305 299 Y CB -0.419 38.040 38.460 -0.003 0.000 1.045 299 Y HN 0.096 nan 8.280 nan 0.000 0.514 300 G N -0.716 108.048 108.800 -0.059 0.000 2.157 300 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.239 300 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.239 300 G C 0.591 175.457 174.900 -0.056 0.000 0.982 300 G CA -0.180 44.913 45.100 -0.012 0.000 0.650 300 G HN 0.976 nan 8.290 nan 0.000 0.527 301 G N -1.385 107.213 108.800 -0.337 0.000 2.537 301 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 301 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 301 G C -0.822 174.024 174.900 -0.090 0.000 1.310 301 G CA -0.421 44.565 45.100 -0.190 0.000 1.027 301 G HN 0.991 nan 8.290 nan 0.000 0.505 302 W N 0.793 121.946 121.300 -0.244 0.000 3.405 302 W HA 0.581 5.240 4.660 -0.000 0.000 0.329 302 W C -0.333 175.906 176.519 -0.467 0.000 1.142 302 W CA -0.965 56.202 57.345 -0.297 0.000 1.235 302 W CB 1.414 30.749 29.460 -0.208 0.000 1.341 302 W HN 0.729 nan 8.180 nan 0.000 0.481 303 M N 4.178 123.127 119.600 -1.086 0.000 2.811 303 M HA 0.748 5.228 4.480 -0.000 0.000 0.303 303 M C -1.882 173.584 176.300 -1.390 0.000 1.227 303 M CA -0.852 53.723 55.300 -1.208 0.000 0.874 303 M CB 2.583 34.592 32.600 -0.985 0.000 1.681 303 M HN 0.401 nan 8.290 nan 0.000 0.500 304 F N 0.960 120.322 119.950 -0.978 0.000 2.518 304 F HA 0.451 4.978 4.527 -0.000 0.000 0.323 304 F C -0.857 174.761 175.800 -0.303 0.000 1.129 304 F CA -0.386 57.198 58.000 -0.693 0.000 0.920 304 F CB 2.025 40.742 39.000 -0.473 0.000 1.160 304 F HN 0.686 nan 8.300 nan 0.000 0.440 305 Q N 4.378 123.875 119.800 -0.504 0.000 2.304 305 Q HA 0.374 4.714 4.340 -0.000 0.000 0.260 305 Q C 0.967 177.031 176.000 0.107 0.000 0.965 305 Q CA 0.221 55.927 55.803 -0.163 0.000 0.898 305 Q CB 1.686 30.332 28.738 -0.153 0.000 1.196 305 Q HN 0.908 nan 8.270 nan 0.000 0.402 306 A N 2.486 125.425 122.820 0.199 0.000 1.978 306 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 306 A C 0.999 178.767 177.584 0.306 0.000 1.170 306 A CA 1.674 53.873 52.037 0.269 0.000 0.636 306 A CB 0.204 19.381 19.000 0.295 0.000 0.810 306 A HN 0.584 nan 8.150 nan 0.000 0.448 307 S N -2.634 113.262 115.700 0.325 0.000 2.683 307 S HA 0.589 5.059 4.470 -0.000 0.000 0.269 307 S C -1.563 173.212 174.600 0.291 0.000 1.165 307 S CA -0.095 58.375 58.200 0.450 0.000 0.840 307 S CB 0.537 63.992 63.200 0.426 0.000 1.169 307 S HN 0.883 nan 8.310 nan 0.000 0.490 308 I N 0.443 121.108 120.570 0.158 0.000 2.647 308 I HA 0.681 4.851 4.170 -0.000 0.000 0.295 308 I C -0.168 175.586 176.117 -0.604 0.000 1.078 308 I CA -0.690 60.548 61.300 -0.103 0.000 1.048 308 I CB 2.411 40.247 38.000 -0.273 0.000 1.239 308 I HN 0.570 nan 8.210 nan 0.000 0.421 309 S N 3.018 118.374 115.700 -0.572 0.000 2.526 309 S HA 0.392 4.862 4.470 -0.000 0.000 0.245 309 S C -1.511 172.795 174.600 -0.490 0.000 1.103 309 S CA -0.937 56.665 58.200 -0.996 0.000 1.095 309 S CB -0.478 62.558 63.200 -0.273 0.000 0.826 309 S HN 0.699 nan 8.310 nan 0.000 0.468 310 P HA -0.111 nan 4.420 nan 0.000 0.215 310 P C 1.507 178.694 177.300 -0.189 0.000 1.153 310 P CA 1.004 63.707 63.100 -0.661 0.000 0.853 310 P CB -0.056 30.607 31.700 -1.729 0.000 0.788 311 V N -0.516 119.330 119.914 -0.114 0.000 2.307 311 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 311 V C 2.596 178.825 176.094 0.224 0.000 1.045 311 V CA 1.642 64.052 62.300 0.183 0.000 1.024 311 V CB -1.556 30.370 31.823 0.173 0.000 0.651 311 V HN 0.188 nan 8.190 nan 0.000 0.449 312 W N 1.324 122.624 121.300 -0.000 0.000 2.332 312 W HA -0.240 4.420 4.660 -0.000 0.000 0.321 312 W C 2.308 178.852 176.519 0.043 0.000 1.219 312 W CA 1.995 59.404 57.345 0.107 0.000 1.277 312 W CB -0.166 29.504 29.460 0.350 0.000 1.161 312 W HN 0.332 nan 8.180 nan 0.000 0.476 313 D N -0.182 120.285 120.400 0.112 0.000 2.103 313 D HA -0.205 4.435 4.640 -0.000 0.000 0.190 313 D C 2.043 178.285 176.300 -0.096 0.000 0.997 313 D CA 2.659 56.660 54.000 0.002 0.000 0.833 313 D CB -0.975 39.933 40.800 0.181 0.000 0.961 313 D HN 0.107 nan 8.370 nan 0.000 0.447 314 T N 0.284 114.879 114.554 0.069 0.000 2.635 314 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 314 T C 1.976 176.625 174.700 -0.085 0.000 1.040 314 T CA 1.781 63.968 62.100 0.146 0.000 1.156 314 T CB -0.862 68.150 68.868 0.239 0.000 0.863 314 T HN 0.303 nan 8.240 nan 0.000 0.430 315 G N 1.364 110.095 108.800 -0.116 0.000 2.491 315 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 315 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 315 G C 1.530 176.141 174.900 -0.481 0.000 1.180 315 G CA 0.741 45.686 45.100 -0.258 0.000 0.774 315 G HN 0.450 nan 8.290 nan 0.000 0.562 316 L N 0.694 121.536 121.223 -0.635 0.000 2.046 316 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 316 L C 3.477 179.921 176.870 -0.710 0.000 1.077 316 L CA 1.036 55.403 54.840 -0.789 0.000 0.747 316 L CB -0.544 40.928 42.059 -0.978 0.000 0.896 316 L HN 0.324 nan 8.230 nan 0.000 0.432 317 A N -0.087 122.301 122.820 -0.719 0.000 1.892 317 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 317 A C 2.347 179.451 177.584 -0.801 0.000 1.188 317 A CA 2.218 53.688 52.037 -0.945 0.000 0.631 317 A CB -0.995 16.994 19.000 -1.685 0.000 0.822 317 A HN 0.206 nan 8.150 nan 0.000 0.447 318 V N 0.108 119.645 119.914 -0.627 0.000 2.255 318 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 318 V C 2.587 178.445 176.094 -0.392 0.000 1.051 318 V CA 2.098 64.158 62.300 -0.400 0.000 1.018 318 V CB -0.829 30.848 31.823 -0.243 0.000 0.641 318 V HN 0.588 nan 8.190 nan 0.000 0.445 319 L N -0.151 120.776 121.223 -0.493 0.000 2.042 319 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 319 L C 2.730 179.363 176.870 -0.395 0.000 1.076 319 L CA 1.625 56.149 54.840 -0.525 0.000 0.749 319 L CB -0.844 40.737 42.059 -0.797 0.000 0.893 319 L HN 0.403 nan 8.230 nan 0.000 0.432 320 A N 0.320 122.886 122.820 -0.422 0.000 1.845 320 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 320 A C 2.227 179.676 177.584 -0.225 0.000 1.195 320 A CA 1.524 53.369 52.037 -0.320 0.000 0.616 320 A CB -0.794 17.983 19.000 -0.372 0.000 0.832 320 A HN 0.345 nan 8.150 nan 0.000 0.443 321 L N -1.192 119.877 121.223 -0.258 0.000 2.046 321 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 321 L C 2.912 179.714 176.870 -0.114 0.000 1.077 321 L CA 1.096 55.833 54.840 -0.172 0.000 0.747 321 L CB -0.524 41.413 42.059 -0.204 0.000 0.896 321 L HN 0.279 nan 8.230 nan 0.000 0.432 322 R N 0.207 120.626 120.500 -0.136 0.000 2.073 322 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 322 R C 2.312 178.581 176.300 -0.052 0.000 1.134 322 R CA 1.603 57.653 56.100 -0.083 0.000 0.952 322 R CB -0.968 29.268 30.300 -0.105 0.000 0.850 322 R HN 0.368 nan 8.270 nan 0.000 0.433 323 A N 0.945 123.719 122.820 -0.076 0.000 1.930 323 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 323 A C 2.363 179.941 177.584 -0.010 0.000 1.175 323 A CA 1.692 53.708 52.037 -0.036 0.000 0.627 323 A CB -0.532 18.439 19.000 -0.049 0.000 0.815 323 A HN 0.343 nan 8.150 nan 0.000 0.443 324 A N -1.862 120.946 122.820 -0.020 0.000 1.940 324 A HA 0.258 4.578 4.320 -0.000 0.000 0.219 324 A C 2.018 179.626 177.584 0.041 0.000 1.176 324 A CA 2.283 54.330 52.037 0.017 0.000 0.631 324 A CB -0.660 18.345 19.000 0.009 0.000 0.814 324 A HN 1.688 nan 8.150 nan 0.000 0.446 325 G N -2.845 105.972 108.800 0.029 0.000 2.977 325 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.211 325 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.211 325 G C 0.118 175.052 174.900 0.056 0.000 0.994 325 G CA -0.150 44.979 45.100 0.047 0.000 0.795 325 G HN 0.293 nan 8.290 nan 0.000 0.518 326 L N 3.478 124.734 121.223 0.055 0.000 2.525 326 L HA 0.245 4.585 4.340 -0.000 0.000 0.278 326 L C -1.213 175.716 176.870 0.097 0.000 1.218 326 L CA -1.116 53.786 54.840 0.104 0.000 0.878 326 L CB 0.203 42.298 42.059 0.060 0.000 1.127 326 L HN 0.107 nan 8.230 nan 0.000 0.492 327 P HA -0.000 nan 4.420 nan 0.000 0.269 327 P C 0.150 177.510 177.300 0.099 0.000 1.209 327 P CA -0.236 62.919 63.100 0.091 0.000 0.776 327 P CB 1.030 32.772 31.700 0.070 0.000 0.876 328 A N 3.204 126.064 122.820 0.067 0.000 2.032 328 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 328 A C 1.225 178.855 177.584 0.078 0.000 1.165 328 A CA 2.155 54.230 52.037 0.062 0.000 0.645 328 A CB -1.203 17.826 19.000 0.049 0.000 0.807 328 A HN 0.662 nan 8.150 nan 0.000 0.453 329 D N -2.321 118.126 120.400 0.078 0.000 2.342 329 D HA 0.023 4.663 4.640 -0.000 0.000 0.221 329 D C 0.563 176.920 176.300 0.095 0.000 1.101 329 D CA -0.429 53.615 54.000 0.073 0.000 0.837 329 D CB -0.693 40.133 40.800 0.043 0.000 0.938 329 D HN 0.415 nan 8.370 nan 0.000 0.508 330 H N 2.671 121.757 119.070 0.027 0.000 3.187 330 H HA -0.074 4.482 4.556 -0.000 0.000 0.286 330 H C 1.174 176.519 175.328 0.028 0.000 0.944 330 H CA 0.567 56.631 56.048 0.027 0.000 1.429 330 H CB 0.596 30.376 29.762 0.031 0.000 1.483 330 H HN 0.277 nan 8.280 nan 0.000 0.555 331 D N 4.346 124.841 120.400 0.157 0.000 2.220 331 D HA -0.270 4.369 4.640 -0.000 0.000 0.198 331 D C 1.693 178.105 176.300 0.186 0.000 1.001 331 D CA 0.986 55.068 54.000 0.136 0.000 0.875 331 D CB 0.139 40.966 40.800 0.044 0.000 0.921 331 D HN 0.333 nan 8.370 nan 0.000 0.454 332 R N 0.436 121.149 120.500 0.355 0.000 2.062 332 R HA 0.156 4.495 4.340 -0.000 0.000 0.229 332 R C 2.564 178.901 176.300 0.062 0.000 1.128 332 R CA 0.622 56.793 56.100 0.118 0.000 0.960 332 R CB -0.674 29.627 30.300 0.002 0.000 0.855 332 R HN 0.262 nan 8.270 nan 0.000 0.432 333 L N -0.108 121.164 121.223 0.081 0.000 2.376 333 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 333 L C 1.852 178.788 176.870 0.109 0.000 1.133 333 L CA 0.364 55.261 54.840 0.094 0.000 0.816 333 L CB -0.182 41.911 42.059 0.056 0.000 0.933 333 L HN 0.027 nan 8.230 nan 0.000 0.449 334 V N -0.527 119.454 119.914 0.112 0.000 2.407 334 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 334 V C 2.499 178.653 176.094 0.100 0.000 1.041 334 V CA 1.283 63.643 62.300 0.100 0.000 1.040 334 V CB -0.378 31.498 31.823 0.088 0.000 0.671 334 V HN 0.367 nan 8.190 nan 0.000 0.455 335 K N 0.725 121.172 120.400 0.078 0.000 2.044 335 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 335 K C 2.316 178.992 176.600 0.127 0.000 1.049 335 K CA 1.707 58.035 56.287 0.069 0.000 0.927 335 K CB -0.714 31.777 32.500 -0.015 0.000 0.713 335 K HN 0.467 nan 8.250 nan 0.000 0.443 336 A N 1.284 124.170 122.820 0.111 0.000 1.883 336 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 336 A C 2.541 180.286 177.584 0.269 0.000 1.186 336 A CA 2.230 54.386 52.037 0.198 0.000 0.624 336 A CB -1.256 17.902 19.000 0.263 0.000 0.822 336 A HN 0.419 nan 8.150 nan 0.000 0.444 337 G N -0.517 108.395 108.800 0.186 0.000 2.446 337 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 337 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 337 G C 1.408 176.413 174.900 0.176 0.000 1.168 337 G CA 1.023 46.219 45.100 0.159 0.000 0.771 337 G HN 0.519 nan 8.290 nan 0.000 0.551 338 E N -0.215 120.089 120.200 0.174 0.000 2.077 338 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 338 E C 2.040 178.754 176.600 0.189 0.000 0.989 338 E CA 0.893 57.385 56.400 0.154 0.000 0.800 338 E CB -0.384 29.396 29.700 0.133 0.000 0.746 338 E HN 0.673 nan 8.360 nan 0.000 0.452 339 W N 1.877 123.223 121.300 0.076 0.000 2.335 339 W HA -0.177 4.483 4.660 -0.000 0.000 0.311 339 W C 2.116 178.699 176.519 0.106 0.000 1.213 339 W CA 1.498 58.899 57.345 0.094 0.000 1.274 339 W CB -0.491 29.047 29.460 0.130 0.000 1.148 339 W HN -0.031 nan 8.180 nan 0.000 0.498 340 L N 0.094 121.493 121.223 0.295 0.000 2.042 340 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 340 L C 2.554 179.485 176.870 0.102 0.000 1.076 340 L CA 1.459 56.375 54.840 0.126 0.000 0.749 340 L CB -1.036 41.120 42.059 0.162 0.000 0.893 340 L HN 0.093 nan 8.230 nan 0.000 0.432 341 L N -0.572 120.719 121.223 0.113 0.000 2.079 341 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 341 L C 2.027 178.915 176.870 0.030 0.000 1.081 341 L CA 1.174 56.089 54.840 0.124 0.000 0.752 341 L CB -0.631 41.486 42.059 0.097 0.000 0.896 341 L HN 0.336 nan 8.230 nan 0.000 0.433 342 D N -0.427 119.931 120.400 -0.070 0.000 2.348 342 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 342 D C 2.057 178.225 176.300 -0.221 0.000 0.970 342 D CA 0.633 54.545 54.000 -0.146 0.000 0.889 342 D CB 0.024 40.715 40.800 -0.182 0.000 0.912 342 D HN 0.081 nan 8.370 nan 0.000 0.524 343 R N 0.639 121.005 120.500 -0.223 0.000 2.276 343 R HA 0.080 4.419 4.340 -0.000 0.000 0.196 343 R C 0.673 176.845 176.300 -0.213 0.000 0.961 343 R CA 0.042 56.004 56.100 -0.230 0.000 1.024 343 R CB -0.314 29.818 30.300 -0.280 0.000 0.940 343 R HN 0.194 nan 8.270 nan 0.000 0.480 344 Q N 0.483 120.103 119.800 -0.300 0.000 2.300 344 Q HA 0.032 4.372 4.340 -0.000 0.000 0.280 344 Q C -0.802 174.874 176.000 -0.540 0.000 1.033 344 Q CA 0.085 55.395 55.803 -0.821 0.000 0.903 344 Q CB 0.496 28.855 28.738 -0.632 0.000 1.195 344 Q HN 0.049 nan 8.270 nan 0.000 0.386 345 I N 3.364 123.570 120.570 -0.608 0.000 2.371 345 I HA 0.027 4.197 4.170 -0.000 0.000 0.290 345 I C 1.176 177.110 176.117 -0.305 0.000 1.028 345 I CA 0.367 61.434 61.300 -0.389 0.000 1.345 345 I CB 1.521 39.305 38.000 -0.361 0.000 1.407 345 I HN 0.760 nan 8.210 nan 0.000 0.501 346 T N 2.381 116.821 114.554 -0.189 0.000 3.044 346 T HA 0.291 4.641 4.350 -0.000 0.000 0.260 346 T C 0.290 174.971 174.700 -0.030 0.000 1.019 346 T CA -0.150 61.887 62.100 -0.106 0.000 0.921 346 T CB -0.334 68.480 68.868 -0.090 0.000 1.053 346 T HN 0.330 nan 8.240 nan 0.000 0.533 347 V N -1.158 118.740 119.914 -0.027 0.000 2.966 347 V HA 0.822 4.941 4.120 -0.000 0.000 0.317 347 V C -3.148 173.011 176.094 0.109 0.000 1.070 347 V CA -2.910 59.404 62.300 0.023 0.000 1.008 347 V CB 1.320 33.142 31.823 -0.001 0.000 1.070 347 V HN -0.085 nan 8.190 nan 0.000 0.457 348 P HA 0.609 nan 4.420 nan 0.000 0.279 348 P C -0.132 177.093 177.300 -0.125 0.000 1.252 348 P CA 0.156 63.193 63.100 -0.106 0.000 0.811 348 P CB 1.251 32.782 31.700 -0.282 0.000 1.035 349 G N 0.010 108.499 108.800 -0.518 0.000 3.140 349 G HA2 0.216 4.176 3.960 -0.000 0.000 0.271 349 G HA3 0.216 4.176 3.960 -0.000 0.000 0.271 349 G C 0.116 174.692 174.900 -0.539 0.000 1.370 349 G CA -0.386 44.544 45.100 -0.283 0.000 1.014 349 G HN 0.251 nan 8.290 nan 0.000 0.541 350 D N -0.222 120.055 120.400 -0.205 0.000 2.190 350 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 350 D C 2.270 178.631 176.300 0.102 0.000 0.992 350 D CA 1.650 55.684 54.000 0.057 0.000 0.854 350 D CB -0.096 40.915 40.800 0.353 0.000 0.936 350 D HN 0.620 nan 8.370 nan 0.000 0.462 351 W N 1.022 122.466 121.300 0.241 0.000 2.350 351 W HA -0.082 4.578 4.660 -0.000 0.000 0.289 351 W C 1.780 178.408 176.519 0.182 0.000 1.215 351 W CA 0.856 58.361 57.345 0.265 0.000 1.236 351 W CB -1.182 28.516 29.460 0.397 0.000 1.130 351 W HN -0.044 nan 8.180 nan 0.000 0.541 352 A N 1.243 123.614 122.820 -0.748 0.000 2.234 352 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 352 A C 2.148 179.573 177.584 -0.266 0.000 1.167 352 A CA 1.712 53.320 52.037 -0.715 0.000 0.698 352 A CB -0.762 17.578 19.000 -1.101 0.000 0.779 352 A HN 0.181 nan 8.150 nan 0.000 0.475 353 V N -1.068 118.733 119.914 -0.187 0.000 2.809 353 V HA -0.114 4.006 4.120 -0.000 0.000 0.256 353 V C 2.256 178.296 176.094 -0.089 0.000 1.080 353 V CA 2.228 64.411 62.300 -0.195 0.000 1.102 353 V CB -0.270 31.328 31.823 -0.376 0.000 0.705 353 V HN 0.494 nan 8.190 nan 0.000 0.475 354 K N -0.553 119.856 120.400 0.016 0.000 2.355 354 K HA 0.238 4.558 4.320 -0.000 0.000 0.198 354 K C 0.532 177.177 176.600 0.074 0.000 1.039 354 K CA 0.199 56.516 56.287 0.049 0.000 1.075 354 K CB 0.537 33.093 32.500 0.093 0.000 0.870 354 K HN 0.057 nan 8.250 nan 0.000 0.540 355 R N -0.059 120.510 120.500 0.115 0.000 2.687 355 R HA 0.210 4.550 4.340 -0.000 0.000 0.264 355 R C -2.543 173.835 176.300 0.130 0.000 1.715 355 R CA -1.447 54.752 56.100 0.164 0.000 1.633 355 R CB 0.869 31.352 30.300 0.306 0.000 1.353 355 R HN -0.036 nan 8.270 nan 0.000 0.653 356 P HA -0.003 nan 4.420 nan 0.000 0.221 356 P C 0.220 177.548 177.300 0.046 0.000 1.150 356 P CA 1.067 64.165 63.100 -0.004 0.000 0.800 356 P CB 0.311 31.996 31.700 -0.026 0.000 0.787 357 N N -1.209 117.539 118.700 0.079 0.000 2.268 357 N HA 0.103 4.843 4.740 -0.000 0.000 0.204 357 N C -0.217 175.380 175.510 0.145 0.000 1.124 357 N CA -0.349 52.755 53.050 0.090 0.000 0.838 357 N CB 0.014 38.538 38.487 0.062 0.000 0.994 357 N HN 0.045 nan 8.380 nan 0.000 0.489 358 L N 1.519 122.882 121.223 0.234 0.000 2.292 358 L HA 0.284 4.624 4.340 -0.000 0.000 0.284 358 L C -0.426 176.712 176.870 0.448 0.000 1.065 358 L CA -0.593 54.446 54.840 0.330 0.000 0.806 358 L CB 0.611 42.915 42.059 0.409 0.000 1.175 358 L HN -0.138 nan 8.230 nan 0.000 0.431 359 K N 6.908 127.520 120.400 0.352 0.000 2.297 359 K HA 0.359 4.679 4.320 -0.000 0.000 0.286 359 K C -2.353 174.496 176.600 0.414 0.000 1.053 359 K CA -1.744 54.740 56.287 0.329 0.000 0.940 359 K CB 0.585 33.205 32.500 0.200 0.000 1.019 359 K HN 0.479 nan 8.250 nan 0.000 0.475 360 P HA 0.043 nan 4.420 nan 0.000 0.268 360 P C 0.271 177.522 177.300 -0.082 0.000 1.205 360 P CA 0.052 63.270 63.100 0.197 0.000 0.771 360 P CB 0.673 32.535 31.700 0.271 0.000 0.858 361 G N 1.107 109.643 108.800 -0.442 0.000 4.496 361 G HA2 0.241 4.201 3.960 -0.000 0.000 0.211 361 G HA3 0.241 4.201 3.960 -0.000 0.000 0.211 361 G C 0.355 174.899 174.900 -0.593 0.000 0.831 361 G CA 0.211 45.096 45.100 -0.358 0.000 0.815 361 G HN 0.767 nan 8.290 nan 0.000 0.528 362 G N -0.221 107.906 108.800 -1.121 0.000 2.553 362 G HA2 0.580 4.540 3.960 -0.000 0.000 0.278 362 G HA3 0.580 4.540 3.960 -0.000 0.000 0.278 362 G C -0.904 173.524 174.900 -0.787 0.000 1.349 362 G CA -0.543 43.933 45.100 -1.041 0.000 1.037 362 G HN 0.112 nan 8.290 nan 0.000 0.508 363 F N -1.197 118.578 119.950 -0.292 0.000 2.588 363 F HA 0.633 5.159 4.527 -0.000 0.000 0.310 363 F C 0.585 176.361 175.800 -0.039 0.000 1.082 363 F CA -0.567 57.357 58.000 -0.126 0.000 0.929 363 F CB 2.175 41.156 39.000 -0.033 0.000 1.254 363 F HN 0.674 nan 8.300 nan 0.000 0.455 364 A N 1.610 124.535 122.820 0.176 0.000 2.247 364 A HA 0.545 4.865 4.320 -0.000 0.000 0.313 364 A C 0.075 177.828 177.584 0.282 0.000 1.109 364 A CA -0.197 51.965 52.037 0.209 0.000 0.890 364 A CB 0.279 19.363 19.000 0.140 0.000 1.239 364 A HN 0.797 nan 8.150 nan 0.000 0.506 365 F N -0.167 119.839 119.950 0.092 0.000 2.179 365 F HA 0.031 4.558 4.527 -0.000 0.000 0.292 365 F C 1.741 177.522 175.800 -0.030 0.000 1.089 365 F CA 1.366 59.400 58.000 0.055 0.000 1.295 365 F CB -0.145 38.880 39.000 0.043 0.000 1.041 365 F HN 0.617 nan 8.300 nan 0.000 0.487 366 Q N -0.429 119.383 119.800 0.019 0.000 2.225 366 Q HA 0.066 4.406 4.340 -0.000 0.000 0.177 366 Q C 1.046 176.885 176.000 -0.270 0.000 1.073 366 Q CA -0.246 55.401 55.803 -0.260 0.000 1.134 366 Q CB -0.752 27.957 28.738 -0.047 0.000 1.210 366 Q HN 0.215 nan 8.270 nan 0.000 0.599 367 F N 0.271 120.078 119.950 -0.240 0.000 2.074 367 F HA -0.019 4.507 4.527 -0.000 0.000 0.293 367 F C 1.017 176.697 175.800 -0.200 0.000 1.116 367 F CA 1.315 59.165 58.000 -0.249 0.000 1.212 367 F CB 0.100 38.908 39.000 -0.321 0.000 0.998 367 F HN 0.437 nan 8.300 nan 0.000 0.471 368 D N -0.183 120.247 120.400 0.049 0.000 2.404 368 D HA 0.156 4.795 4.640 -0.000 0.000 0.267 368 D C -1.404 174.847 176.300 -0.082 0.000 1.194 368 D CA -0.085 53.880 54.000 -0.058 0.000 0.910 368 D CB -0.260 40.487 40.800 -0.090 0.000 1.090 368 D HN -0.020 nan 8.370 nan 0.000 0.511 369 N N 2.968 121.621 118.700 -0.079 0.000 2.675 369 N HA 0.059 4.799 4.740 -0.000 0.000 0.254 369 N C 0.826 176.262 175.510 -0.122 0.000 1.224 369 N CA -0.455 52.560 53.050 -0.058 0.000 0.777 369 N CB 1.038 39.575 38.487 0.082 0.000 1.256 369 N HN 0.051 nan 8.380 nan 0.000 0.531 370 V N 0.713 120.425 119.914 -0.337 0.000 2.667 370 V HA 0.022 4.141 4.120 -0.000 0.000 0.252 370 V C 1.032 176.870 176.094 -0.428 0.000 1.065 370 V CA 1.182 63.212 62.300 -0.450 0.000 1.083 370 V CB -1.014 30.426 31.823 -0.638 0.000 0.692 370 V HN 0.380 nan 8.190 nan 0.000 0.468 371 Y N -0.496 119.695 120.300 -0.181 0.000 2.523 371 Y HA 0.319 4.869 4.550 -0.000 0.000 0.279 371 Y C 0.761 176.278 175.900 -0.639 0.000 1.139 371 Y CA -0.506 57.330 58.100 -0.441 0.000 1.296 371 Y CB -0.440 37.623 38.460 -0.661 0.000 1.045 371 Y HN 0.388 nan 8.280 nan 0.000 0.538 372 Y N 0.924 121.358 120.300 0.225 0.000 2.480 372 Y HA 0.358 4.908 4.550 -0.000 0.000 0.356 372 Y C -2.447 173.619 175.900 0.277 0.000 0.922 372 Y CA -3.527 54.712 58.100 0.231 0.000 1.146 372 Y CB -0.058 38.423 38.460 0.035 0.000 1.185 372 Y HN -0.091 nan 8.280 nan 0.000 0.624 373 P HA 0.112 nan 4.420 nan 0.000 0.272 373 P C -0.636 176.900 177.300 0.394 0.000 1.230 373 P CA -0.022 63.160 63.100 0.137 0.000 0.788 373 P CB 1.735 33.224 31.700 -0.351 0.000 0.949 374 D N -1.262 119.315 120.400 0.295 0.000 2.527 374 D HA 0.257 4.897 4.640 -0.000 0.000 0.233 374 D C 0.842 177.263 176.300 0.202 0.000 1.063 374 D CA -1.014 53.102 54.000 0.193 0.000 0.880 374 D CB 0.929 41.611 40.800 -0.198 0.000 1.457 374 D HN -0.058 nan 8.370 nan 0.000 0.475 375 V N 0.634 120.634 119.914 0.144 0.000 2.295 375 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 375 V C 2.366 178.468 176.094 0.014 0.000 1.049 375 V CA 1.442 63.812 62.300 0.116 0.000 1.024 375 V CB -0.552 31.267 31.823 -0.007 0.000 0.648 375 V HN 0.908 nan 8.190 nan 0.000 0.447 376 C N -0.021 119.225 119.300 -0.089 0.000 2.388 376 C HA -0.231 4.229 4.460 -0.000 0.000 0.277 376 C C 2.657 177.718 174.990 0.117 0.000 1.210 376 C CA 1.563 60.547 59.018 -0.058 0.000 1.743 376 C CB -1.086 26.442 27.740 -0.354 0.000 2.047 376 C HN 0.624 nan 8.230 nan 0.000 0.458 377 D N -0.426 120.031 120.400 0.094 0.000 2.084 377 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 377 D C 2.165 178.590 176.300 0.208 0.000 0.990 377 D CA 1.933 56.104 54.000 0.285 0.000 0.826 377 D CB -0.575 40.395 40.800 0.284 0.000 0.971 377 D HN 0.494 nan 8.370 nan 0.000 0.453 378 T N 1.262 115.954 114.554 0.229 0.000 2.665 378 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 378 T C 2.053 176.854 174.700 0.167 0.000 1.035 378 T CA 1.793 64.067 62.100 0.291 0.000 1.151 378 T CB -0.377 68.723 68.868 0.386 0.000 0.862 378 T HN 0.201 nan 8.240 nan 0.000 0.438 379 A N 0.907 123.789 122.820 0.103 0.000 1.883 379 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 379 A C 2.639 180.302 177.584 0.130 0.000 1.186 379 A CA 1.629 53.682 52.037 0.026 0.000 0.624 379 A CB -1.099 17.836 19.000 -0.109 0.000 0.822 379 A HN 0.358 nan 8.150 nan 0.000 0.444 380 V N -0.504 119.489 119.914 0.132 0.000 2.307 380 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 380 V C 2.591 178.647 176.094 -0.063 0.000 1.045 380 V CA 1.925 64.251 62.300 0.043 0.000 1.024 380 V CB -0.779 30.993 31.823 -0.085 0.000 0.651 380 V HN 0.371 nan 8.190 nan 0.000 0.449 381 V N -0.146 119.696 119.914 -0.120 0.000 2.255 381 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 381 V C 2.436 178.431 176.094 -0.167 0.000 1.051 381 V CA 2.190 64.311 62.300 -0.298 0.000 1.018 381 V CB -0.528 30.809 31.823 -0.809 0.000 0.641 381 V HN 0.405 nan 8.190 nan 0.000 0.445 382 V N -0.887 119.018 119.914 -0.014 0.000 2.287 382 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 382 V C 2.089 178.362 176.094 0.299 0.000 1.053 382 V CA 2.384 64.816 62.300 0.221 0.000 1.027 382 V CB -0.857 31.188 31.823 0.371 0.000 0.646 382 V HN 0.818 nan 8.190 nan 0.000 0.447 383 W N 1.500 122.808 121.300 0.013 0.000 2.333 383 W HA -0.238 4.422 4.660 -0.000 0.000 0.316 383 W C 2.521 178.959 176.519 -0.135 0.000 1.215 383 W CA 2.105 59.381 57.345 -0.115 0.000 1.278 383 W CB -1.000 28.378 29.460 -0.136 0.000 1.154 383 W HN 0.230 nan 8.180 nan 0.000 0.486 384 A N 0.471 123.219 122.820 -0.119 0.000 1.978 384 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 384 A C 2.348 179.884 177.584 -0.079 0.000 1.170 384 A CA 1.838 53.719 52.037 -0.261 0.000 0.636 384 A CB -1.028 17.784 19.000 -0.313 0.000 0.810 384 A HN 0.398 nan 8.150 nan 0.000 0.448 385 L N -0.578 120.648 121.223 0.007 0.000 2.056 385 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 385 L C 2.483 179.412 176.870 0.098 0.000 1.078 385 L CA 1.465 56.345 54.840 0.067 0.000 0.749 385 L CB -0.540 41.590 42.059 0.117 0.000 0.901 385 L HN 0.476 nan 8.230 nan 0.000 0.433 386 N N -0.058 118.712 118.700 0.117 0.000 2.258 386 N HA -0.204 4.536 4.740 -0.000 0.000 0.187 386 N C 1.709 177.241 175.510 0.036 0.000 1.012 386 N CA 1.894 54.981 53.050 0.062 0.000 0.870 386 N CB -0.061 38.261 38.487 -0.276 0.000 0.977 386 N HN 0.417 nan 8.380 nan 0.000 0.434 387 T N -2.732 111.842 114.554 0.033 0.000 3.081 387 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 387 T C 0.916 175.632 174.700 0.025 0.000 1.113 387 T CA -0.076 62.038 62.100 0.023 0.000 1.082 387 T CB -0.096 68.766 68.868 -0.011 0.000 0.939 387 T HN 0.017 nan 8.240 nan 0.000 0.506 388 L N 0.563 121.808 121.223 0.037 0.000 2.431 388 L HA 0.689 5.028 4.340 -0.000 0.000 0.260 388 L C 0.372 177.280 176.870 0.062 0.000 1.098 388 L CA -1.372 53.497 54.840 0.048 0.000 0.800 388 L CB 0.854 42.945 42.059 0.053 0.000 1.210 388 L HN -0.052 nan 8.230 nan 0.000 0.465 389 R N 1.295 121.833 120.500 0.063 0.000 2.513 389 R HA 0.494 4.833 4.340 -0.000 0.000 0.283 389 R C -1.474 174.864 176.300 0.063 0.000 1.535 389 R CA -0.109 56.028 56.100 0.062 0.000 1.315 389 R CB 0.176 30.508 30.300 0.054 0.000 1.163 389 R HN 0.445 nan 8.270 nan 0.000 0.573 390 L N 4.953 126.216 121.223 0.068 0.000 2.360 390 L HA 0.554 4.894 4.340 -0.000 0.000 0.271 390 L C -1.233 175.671 176.870 0.057 0.000 1.057 390 L CA -2.259 52.621 54.840 0.067 0.000 0.803 390 L CB 1.066 43.171 42.059 0.076 0.000 1.207 390 L HN 0.380 nan 8.230 nan 0.000 0.445 391 P HA -0.181 nan 4.420 nan 0.000 0.211 391 P C -0.254 177.071 177.300 0.042 0.000 1.181 391 P CA 1.284 64.409 63.100 0.042 0.000 0.929 391 P CB -0.001 31.722 31.700 0.039 0.000 0.789 392 D N -0.110 120.317 120.400 0.044 0.000 2.524 392 D HA 0.010 4.649 4.640 -0.000 0.000 0.222 392 D C 0.031 176.362 176.300 0.051 0.000 1.142 392 D CA -0.262 53.764 54.000 0.043 0.000 0.973 392 D CB 0.334 41.156 40.800 0.037 0.000 1.025 392 D HN 0.200 nan 8.370 nan 0.000 0.519 393 E N 0.778 121.010 120.200 0.053 0.000 2.526 393 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 393 E C 1.611 178.247 176.600 0.060 0.000 1.091 393 E CA 0.180 56.618 56.400 0.063 0.000 0.880 393 E CB -0.125 29.613 29.700 0.063 0.000 0.873 393 E HN 0.256 nan 8.360 nan 0.000 0.527 394 R N 1.553 122.082 120.500 0.049 0.000 2.057 394 R HA 0.068 4.408 4.340 -0.000 0.000 0.229 394 R C 2.088 178.417 176.300 0.049 0.000 1.136 394 R CA 1.708 57.834 56.100 0.042 0.000 0.952 394 R CB -0.313 30.006 30.300 0.032 0.000 0.848 394 R HN 0.235 nan 8.270 nan 0.000 0.430 395 R N -0.243 120.288 120.500 0.052 0.000 2.153 395 R HA 0.067 4.407 4.340 -0.000 0.000 0.218 395 R C 2.340 178.690 176.300 0.083 0.000 1.072 395 R CA 0.986 57.121 56.100 0.058 0.000 0.990 395 R CB -0.102 30.228 30.300 0.050 0.000 0.889 395 R HN 0.181 nan 8.270 nan 0.000 0.452 396 R N -0.058 120.497 120.500 0.091 0.000 2.073 396 R HA -0.107 4.232 4.340 -0.000 0.000 0.229 396 R C 2.124 178.505 176.300 0.135 0.000 1.120 396 R CA 1.278 57.449 56.100 0.119 0.000 0.967 396 R CB -0.033 30.334 30.300 0.113 0.000 0.862 396 R HN -0.040 nan 8.270 nan 0.000 0.436 397 R N 0.945 121.510 120.500 0.107 0.000 2.066 397 R HA -0.119 4.220 4.340 -0.000 0.000 0.232 397 R C 1.621 177.974 176.300 0.089 0.000 1.131 397 R CA 2.184 58.344 56.100 0.099 0.000 0.955 397 R CB -0.739 29.601 30.300 0.067 0.000 0.851 397 R HN 0.239 nan 8.270 nan 0.000 0.432 398 D N -0.572 119.874 120.400 0.077 0.000 2.092 398 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 398 D C 1.688 178.043 176.300 0.093 0.000 0.994 398 D CA 1.976 56.017 54.000 0.067 0.000 0.828 398 D CB -0.253 40.578 40.800 0.052 0.000 0.963 398 D HN 0.324 nan 8.370 nan 0.000 0.450 399 A N 0.071 122.963 122.820 0.120 0.000 1.908 399 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 399 A C 2.333 180.054 177.584 0.229 0.000 1.181 399 A CA 1.794 53.932 52.037 0.168 0.000 0.627 399 A CB -0.648 18.479 19.000 0.211 0.000 0.818 399 A HN 0.293 nan 8.150 nan 0.000 0.445 400 M N -0.180 119.561 119.600 0.234 0.000 2.086 400 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 400 M C 2.431 178.861 176.300 0.217 0.000 1.067 400 M CA 2.194 57.667 55.300 0.289 0.000 1.116 400 M CB -1.038 31.767 32.600 0.341 0.000 1.348 400 M HN 0.695 nan 8.290 nan 0.000 0.407 401 T N -0.708 113.912 114.554 0.110 0.000 2.720 401 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 401 T C 1.706 176.491 174.700 0.141 0.000 1.037 401 T CA 1.296 63.424 62.100 0.046 0.000 1.144 401 T CB -0.440 68.421 68.868 -0.013 0.000 0.864 401 T HN 0.382 nan 8.240 nan 0.000 0.444 402 K N 1.162 121.650 120.400 0.147 0.000 2.026 402 K HA 0.025 4.345 4.320 -0.000 0.000 0.208 402 K C 2.793 179.535 176.600 0.237 0.000 1.048 402 K CA 1.275 57.656 56.287 0.156 0.000 0.929 402 K CB -0.725 31.828 32.500 0.088 0.000 0.713 402 K HN 0.485 nan 8.250 nan 0.000 0.439 403 G N 1.111 110.079 108.800 0.279 0.000 2.433 403 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 403 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 403 G C 1.337 176.489 174.900 0.420 0.000 1.186 403 G CA 0.456 45.776 45.100 0.366 0.000 0.779 403 G HN 0.174 nan 8.290 nan 0.000 0.543 404 F N 1.822 121.908 119.950 0.226 0.000 2.043 404 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 404 F C 2.938 178.863 175.800 0.208 0.000 1.121 404 F CA 1.888 60.010 58.000 0.204 0.000 1.199 404 F CB -0.287 38.695 39.000 -0.029 0.000 0.968 404 F HN 0.002 nan 8.300 nan 0.000 0.478 405 R N -1.518 119.284 120.500 0.502 0.000 2.096 405 R HA -0.245 4.095 4.340 -0.000 0.000 0.235 405 R C 2.133 178.609 176.300 0.295 0.000 1.127 405 R CA 1.728 58.040 56.100 0.352 0.000 0.968 405 R CB -1.063 29.370 30.300 0.222 0.000 0.861 405 R HN 0.506 nan 8.270 nan 0.000 0.440 406 W N 1.514 122.892 121.300 0.130 0.000 2.381 406 W HA -0.082 4.578 4.660 -0.000 0.000 0.301 406 W C 1.707 178.266 176.519 0.068 0.000 1.205 406 W CA 1.184 58.543 57.345 0.023 0.000 1.285 406 W CB -0.217 29.192 29.460 -0.085 0.000 1.133 406 W HN -0.083 nan 8.180 nan 0.000 0.521 407 I N -0.238 120.445 120.570 0.188 0.000 2.179 407 I HA -0.345 3.825 4.170 -0.000 0.000 0.242 407 I C 2.149 178.422 176.117 0.259 0.000 1.088 407 I CA 1.473 62.823 61.300 0.084 0.000 1.357 407 I CB -1.103 36.938 38.000 0.069 0.000 1.051 407 I HN -0.196 nan 8.210 nan 0.000 0.409 408 V N 1.100 121.191 119.914 0.296 0.000 2.287 408 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 408 V C 2.510 178.674 176.094 0.116 0.000 1.053 408 V CA 2.242 64.715 62.300 0.288 0.000 1.027 408 V CB -1.505 30.480 31.823 0.269 0.000 0.646 408 V HN 0.596 nan 8.190 nan 0.000 0.447 409 G N -1.204 107.607 108.800 0.018 0.000 2.625 409 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 409 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 409 G C 1.312 176.100 174.900 -0.187 0.000 1.132 409 G CA 0.310 45.366 45.100 -0.073 0.000 0.782 409 G HN 0.343 nan 8.290 nan 0.000 0.538 410 M N -0.020 119.438 119.600 -0.237 0.000 2.502 410 M HA 0.189 4.669 4.480 -0.000 0.000 0.243 410 M C 1.139 177.280 176.300 -0.265 0.000 1.130 410 M CA -0.158 54.969 55.300 -0.288 0.000 1.055 410 M CB -0.392 31.897 32.600 -0.518 0.000 1.457 410 M HN 0.309 nan 8.290 nan 0.000 0.488 411 Q N 1.138 120.688 119.800 -0.417 0.000 2.349 411 Q HA 0.043 4.383 4.340 -0.000 0.000 0.287 411 Q C -0.434 175.152 176.000 -0.690 0.000 1.044 411 Q CA 0.351 55.464 55.803 -1.150 0.000 0.918 411 Q CB 0.852 28.970 28.738 -1.034 0.000 1.242 411 Q HN 0.168 nan 8.270 nan 0.000 0.405 412 S N 1.462 116.732 115.700 -0.717 0.000 2.707 412 S HA 0.148 4.617 4.470 -0.000 0.000 0.276 412 S C 1.003 175.385 174.600 -0.362 0.000 1.179 412 S CA -0.643 57.311 58.200 -0.411 0.000 0.992 412 S CB 1.521 64.528 63.200 -0.322 0.000 1.030 412 S HN 0.769 nan 8.310 nan 0.000 0.554 413 S N 2.467 118.026 115.700 -0.235 0.000 2.359 413 S HA -0.172 4.297 4.470 -0.000 0.000 0.224 413 S C 1.741 176.229 174.600 -0.187 0.000 1.035 413 S CA 1.840 59.932 58.200 -0.180 0.000 1.018 413 S CB -0.639 62.492 63.200 -0.114 0.000 0.876 413 S HN 0.836 nan 8.310 nan 0.000 0.448 414 N N 1.086 119.667 118.700 -0.199 0.000 2.573 414 N HA 0.092 4.832 4.740 -0.000 0.000 0.187 414 N C 1.086 176.463 175.510 -0.221 0.000 1.107 414 N CA 1.202 54.156 53.050 -0.160 0.000 0.918 414 N CB -0.631 37.797 38.487 -0.099 0.000 0.966 414 N HN 0.485 nan 8.380 nan 0.000 0.448 415 G N -2.293 106.287 108.800 -0.366 0.000 2.232 415 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.226 415 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.226 415 G C 0.402 174.955 174.900 -0.579 0.000 0.996 415 G CA 0.035 44.904 45.100 -0.385 0.000 0.626 415 G HN 0.811 nan 8.290 nan 0.000 0.509 416 G N -1.502 106.784 108.800 -0.856 0.000 2.531 416 G HA2 0.532 4.492 3.960 -0.000 0.000 0.281 416 G HA3 0.532 4.492 3.960 -0.000 0.000 0.281 416 G C -0.478 174.115 174.900 -0.512 0.000 1.382 416 G CA -0.495 44.150 45.100 -0.757 0.000 1.045 416 G HN 0.301 nan 8.290 nan 0.000 0.533 417 W N -1.233 119.907 121.300 -0.267 0.000 3.032 417 W HA 0.534 5.194 4.660 -0.000 0.000 0.335 417 W C 0.171 176.655 176.519 -0.059 0.000 1.154 417 W CA -0.748 56.507 57.345 -0.151 0.000 1.204 417 W CB 2.091 31.473 29.460 -0.130 0.000 1.416 417 W HN 0.819 nan 8.180 nan 0.000 0.521 418 G N 0.169 109.093 108.800 0.208 0.000 2.557 418 G HA2 0.505 4.465 3.960 -0.000 0.000 0.302 418 G HA3 0.505 4.465 3.960 -0.000 0.000 0.302 418 G C 0.407 175.417 174.900 0.185 0.000 1.311 418 G CA 0.165 45.393 45.100 0.213 0.000 1.030 418 G HN 0.509 nan 8.290 nan 0.000 0.509 419 A N -1.209 121.703 122.820 0.154 0.000 1.855 419 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 419 A C 1.844 179.279 177.584 -0.249 0.000 1.195 419 A CA 1.360 53.284 52.037 -0.188 0.000 0.610 419 A CB -0.413 18.329 19.000 -0.431 0.000 0.837 419 A HN 0.611 nan 8.150 nan 0.000 0.444 420 Y N -0.722 119.752 120.300 0.291 0.000 2.607 420 Y HA 0.257 4.807 4.550 -0.000 0.000 0.276 420 Y C 0.425 176.528 175.900 0.337 0.000 1.117 420 Y CA -0.581 57.724 58.100 0.341 0.000 1.273 420 Y CB 0.356 39.046 38.460 0.384 0.000 1.282 420 Y HN 0.141 nan 8.280 nan 0.000 0.514 421 D N -0.525 120.124 120.400 0.416 0.000 2.414 421 D HA 0.461 5.100 4.640 -0.000 0.000 0.241 421 D C -0.893 175.513 176.300 0.177 0.000 1.008 421 D CA -0.384 53.804 54.000 0.314 0.000 1.001 421 D CB 3.006 43.980 40.800 0.290 0.000 1.277 421 D HN -0.315 nan 8.370 nan 0.000 0.538 422 V N 1.298 121.290 119.914 0.130 0.000 2.427 422 V HA 0.106 4.226 4.120 -0.000 0.000 0.286 422 V C -0.240 175.870 176.094 0.028 0.000 1.034 422 V CA -0.560 61.757 62.300 0.029 0.000 0.893 422 V CB 1.277 33.100 31.823 -0.000 0.000 0.982 422 V HN 0.569 nan 8.190 nan 0.000 0.452 423 D N 2.966 123.355 120.400 -0.019 0.000 2.692 423 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 423 D C 0.602 176.914 176.300 0.020 0.000 1.172 423 D CA 0.733 54.723 54.000 -0.016 0.000 0.636 423 D CB -0.720 40.061 40.800 -0.031 0.000 1.028 423 D HN 0.744 nan 8.370 nan 0.000 0.419 424 N N 0.653 119.380 118.700 0.045 0.000 3.303 424 N HA 0.016 4.756 4.740 -0.000 0.000 0.304 424 N C 1.015 176.537 175.510 0.021 0.000 1.302 424 N CA 0.478 53.557 53.050 0.049 0.000 1.213 424 N CB 0.258 38.793 38.487 0.080 0.000 1.481 424 N HN 0.281 nan 8.380 nan 0.000 0.546 425 T N -3.126 111.430 114.554 0.002 0.000 3.022 425 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 425 T C 0.894 175.573 174.700 -0.035 0.000 1.060 425 T CA -0.272 61.822 62.100 -0.009 0.000 1.013 425 T CB 0.071 68.936 68.868 -0.006 0.000 0.982 425 T HN 0.122 nan 8.240 nan 0.000 0.508 426 S N 2.189 117.861 115.700 -0.045 0.000 2.931 426 S HA -0.087 4.383 4.470 -0.000 0.000 0.342 426 S C 0.935 175.469 174.600 -0.111 0.000 1.220 426 S CA 0.126 58.286 58.200 -0.067 0.000 1.045 426 S CB -0.177 62.975 63.200 -0.080 0.000 0.758 426 S HN 0.507 nan 8.310 nan 0.000 0.508 427 D N 4.012 124.363 120.400 -0.082 0.000 2.347 427 D HA -0.008 4.632 4.640 -0.000 0.000 0.213 427 D C 1.733 177.910 176.300 -0.205 0.000 0.985 427 D CA 0.248 54.176 54.000 -0.121 0.000 0.879 427 D CB -0.019 40.770 40.800 -0.018 0.000 0.919 427 D HN 0.487 nan 8.370 nan 0.000 0.526 428 L N 1.527 122.681 121.223 -0.115 0.000 1.971 428 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 428 L C -0.532 176.179 176.870 -0.266 0.000 1.072 428 L CA 2.086 56.885 54.840 -0.069 0.000 0.758 428 L CB -2.168 39.876 42.059 -0.025 0.000 0.889 428 L HN 0.214 nan 8.230 nan 0.000 0.433 429 P HA -0.173 nan 4.420 nan 0.000 0.218 429 P C 0.969 177.999 177.300 -0.451 0.000 1.148 429 P CA 1.221 63.995 63.100 -0.544 0.000 0.822 429 P CB -0.315 30.817 31.700 -0.947 0.000 0.784 430 N N -0.656 117.739 118.700 -0.509 0.000 2.609 430 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 430 N C 1.102 176.305 175.510 -0.511 0.000 1.157 430 N CA 0.822 53.585 53.050 -0.480 0.000 0.918 430 N CB -0.363 37.835 38.487 -0.482 0.000 0.978 430 N HN 0.451 nan 8.380 nan 0.000 0.448 431 H N -0.348 118.517 119.070 -0.342 0.000 2.705 431 H HA 0.277 4.833 4.556 -0.000 0.000 0.269 431 H C 0.761 175.637 175.328 -0.754 0.000 0.998 431 H CA -0.317 55.438 56.048 -0.488 0.000 1.193 431 H CB 1.001 30.453 29.762 -0.518 0.000 1.485 431 H HN 0.106 nan 8.280 nan 0.000 0.521 432 I N 2.741 122.983 120.570 -0.547 0.000 2.692 432 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 432 I C -1.108 174.934 176.117 -0.125 0.000 1.159 432 I CA -1.446 59.622 61.300 -0.388 0.000 1.423 432 I CB 0.819 38.725 38.000 -0.156 0.000 1.380 432 I HN -0.139 nan 8.210 nan 0.000 0.580 433 P HA -0.219 nan 4.420 nan 0.000 0.217 433 P C 1.450 178.792 177.300 0.071 0.000 1.148 433 P CA 1.371 64.508 63.100 0.062 0.000 0.828 433 P CB 0.080 31.861 31.700 0.134 0.000 0.783 434 F N -0.198 119.722 119.950 -0.051 0.000 2.206 434 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 434 F C 0.760 176.475 175.800 -0.142 0.000 1.090 434 F CA 0.754 58.699 58.000 -0.091 0.000 1.323 434 F CB -0.361 38.594 39.000 -0.074 0.000 1.028 434 F HN -0.234 nan 8.300 nan 0.000 0.492 435 C N 3.286 122.568 119.300 -0.031 0.000 2.756 435 C HA 0.140 4.600 4.460 -0.000 0.000 0.504 435 C C 0.869 175.778 174.990 -0.135 0.000 1.028 435 C CA -0.091 58.865 59.018 -0.104 0.000 1.167 435 C CB -2.203 25.540 27.740 0.005 0.000 1.444 435 C HN 0.517 nan 8.230 nan 0.000 0.577 436 D N -0.645 119.640 120.400 -0.191 0.000 2.395 436 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 436 D C -0.121 176.190 176.300 0.019 0.000 1.110 436 D CA -0.203 53.747 54.000 -0.084 0.000 0.835 436 D CB 0.004 40.757 40.800 -0.079 0.000 0.965 436 D HN 0.400 nan 8.370 nan 0.000 0.505 437 F N 1.262 121.107 119.950 -0.175 0.000 2.499 437 F HA 0.514 5.041 4.527 -0.000 0.000 0.333 437 F C 0.856 176.583 175.800 -0.123 0.000 1.138 437 F CA 0.351 58.312 58.000 -0.066 0.000 0.945 437 F CB 1.366 40.383 39.000 0.029 0.000 1.181 437 F HN 0.202 nan 8.300 nan 0.000 0.435 438 G N 4.612 113.022 108.800 -0.651 0.000 2.682 438 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.256 438 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.256 438 G C -0.664 173.877 174.900 -0.598 0.000 1.333 438 G CA -0.508 44.130 45.100 -0.771 0.000 0.904 438 G HN 0.697 nan 8.290 nan 0.000 0.569 439 E N -0.543 119.175 120.200 -0.802 0.000 2.354 439 E HA 0.371 4.721 4.350 -0.000 0.000 0.269 439 E C 1.101 177.742 176.600 0.068 0.000 1.036 439 E CA 0.024 56.277 56.400 -0.245 0.000 0.876 439 E CB 1.551 31.250 29.700 -0.001 0.000 1.009 439 E HN 0.467 nan 8.360 nan 0.000 0.416 440 V N 1.280 121.270 119.914 0.126 0.000 3.612 440 V HA 0.003 4.123 4.120 -0.000 0.000 0.268 440 V C 0.675 176.774 176.094 0.008 0.000 1.365 440 V CA 0.805 63.186 62.300 0.136 0.000 1.044 440 V CB 0.689 32.520 31.823 0.014 0.000 0.820 440 V HN 0.727 nan 8.190 nan 0.000 0.444 441 T N -2.787 111.793 114.554 0.044 0.000 2.930 441 T HA 0.572 4.921 4.350 -0.000 0.000 0.290 441 T C -0.981 173.797 174.700 0.130 0.000 1.052 441 T CA -0.481 61.603 62.100 -0.027 0.000 1.017 441 T CB 2.578 71.412 68.868 -0.058 0.000 1.137 441 T HN -0.003 nan 8.240 nan 0.000 0.511 442 D N 2.334 122.785 120.400 0.085 0.000 2.517 442 D HA 0.383 5.023 4.640 -0.000 0.000 0.301 442 D C -2.375 174.060 176.300 0.225 0.000 1.202 442 D CA -2.068 52.098 54.000 0.278 0.000 0.910 442 D CB 0.673 41.603 40.800 0.217 0.000 1.021 442 D HN 0.314 nan 8.370 nan 0.000 0.499 443 P HA 0.382 nan 4.420 nan 0.000 0.278 443 P C -2.689 174.711 177.300 0.167 0.000 1.266 443 P CA -1.579 61.601 63.100 0.133 0.000 0.807 443 P CB 0.473 32.233 31.700 0.101 0.000 1.094 444 P HA 0.118 nan 4.420 nan 0.000 0.270 444 P C -0.272 177.156 177.300 0.214 0.000 1.223 444 P CA 0.356 63.506 63.100 0.084 0.000 0.785 444 P CB 0.275 31.871 31.700 -0.174 0.000 0.923 445 S N -0.788 115.077 115.700 0.277 0.000 2.588 445 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 445 S C 0.615 175.422 174.600 0.346 0.000 1.130 445 S CA -0.668 57.737 58.200 0.341 0.000 0.855 445 S CB 1.545 64.935 63.200 0.317 0.000 1.116 445 S HN 0.210 nan 8.310 nan 0.000 0.472 446 E N 1.617 121.990 120.200 0.287 0.000 2.058 446 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 446 E C 1.520 178.079 176.600 -0.068 0.000 0.997 446 E CA 2.153 58.622 56.400 0.115 0.000 0.801 446 E CB -0.242 29.481 29.700 0.038 0.000 0.746 446 E HN 0.811 nan 8.360 nan 0.000 0.450 447 D N 0.634 120.981 120.400 -0.088 0.000 2.097 447 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 447 D C 2.051 178.102 176.300 -0.415 0.000 0.984 447 D CA 1.099 54.895 54.000 -0.340 0.000 0.826 447 D CB -0.748 39.923 40.800 -0.214 0.000 0.973 447 D HN 0.145 nan 8.370 nan 0.000 0.460 448 V N 1.441 121.332 119.914 -0.038 0.000 2.287 448 V HA -0.264 3.855 4.120 -0.000 0.000 0.248 448 V C 2.770 178.797 176.094 -0.112 0.000 1.053 448 V CA 2.403 64.704 62.300 0.002 0.000 1.027 448 V CB -1.195 30.701 31.823 0.122 0.000 0.646 448 V HN 0.282 nan 8.190 nan 0.000 0.447 449 T N 0.467 115.016 114.554 -0.009 0.000 2.720 449 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 449 T C 2.060 176.647 174.700 -0.188 0.000 1.037 449 T CA 1.711 63.827 62.100 0.026 0.000 1.144 449 T CB -0.491 68.541 68.868 0.273 0.000 0.864 449 T HN 0.596 nan 8.240 nan 0.000 0.444 450 A N 1.081 123.737 122.820 -0.273 0.000 1.933 450 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 450 A C 1.921 179.325 177.584 -0.300 0.000 1.175 450 A CA 1.709 53.536 52.037 -0.350 0.000 0.628 450 A CB -0.902 17.807 19.000 -0.486 0.000 0.814 450 A HN 0.717 nan 8.150 nan 0.000 0.444 451 H N -1.387 117.549 119.070 -0.223 0.000 2.389 451 H HA -0.040 4.515 4.556 -0.000 0.000 0.299 451 H C 2.067 177.179 175.328 -0.360 0.000 1.081 451 H CA 0.900 56.842 56.048 -0.176 0.000 1.345 451 H CB 0.092 29.831 29.762 -0.038 0.000 1.393 451 H HN 0.307 nan 8.280 nan 0.000 0.520 452 V N 0.651 120.282 119.914 -0.471 0.000 2.307 452 V HA -0.216 3.903 4.120 -0.000 0.000 0.245 452 V C 2.237 177.689 176.094 -1.071 0.000 1.045 452 V CA 1.143 62.852 62.300 -0.985 0.000 1.024 452 V CB -0.395 30.479 31.823 -1.582 0.000 0.651 452 V HN 0.273 nan 8.190 nan 0.000 0.449 453 L N 0.061 120.883 121.223 -0.668 0.000 2.042 453 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 453 L C 2.429 179.086 176.870 -0.355 0.000 1.076 453 L CA 1.983 56.591 54.840 -0.387 0.000 0.749 453 L CB -1.001 40.938 42.059 -0.200 0.000 0.893 453 L HN 0.449 nan 8.230 nan 0.000 0.432 454 E N -2.059 117.881 120.200 -0.433 0.000 2.208 454 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 454 E C 2.426 178.478 176.600 -0.913 0.000 0.988 454 E CA 0.878 56.918 56.400 -0.599 0.000 0.828 454 E CB -0.036 29.305 29.700 -0.598 0.000 0.763 454 E HN 0.595 nan 8.360 nan 0.000 0.478 455 C N -0.057 118.809 119.300 -0.724 0.000 2.462 455 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 455 C C 2.256 177.135 174.990 -0.186 0.000 1.253 455 C CA 0.513 59.202 59.018 -0.549 0.000 1.713 455 C CB -1.230 26.279 27.740 -0.384 0.000 2.049 455 C HN 0.465 nan 8.230 nan 0.000 0.477 456 F N 1.969 121.849 119.950 -0.116 0.000 2.161 456 F HA 0.085 4.612 4.527 -0.000 0.000 0.300 456 F C 2.627 178.568 175.800 0.235 0.000 1.089 456 F CA 1.233 59.321 58.000 0.146 0.000 1.282 456 F CB -1.759 37.291 39.000 0.085 0.000 1.010 456 F HN 0.373 nan 8.300 nan 0.000 0.485 457 G N -0.054 108.836 108.800 0.150 0.000 2.491 457 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 457 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 457 G C 1.841 176.729 174.900 -0.019 0.000 1.180 457 G CA 1.726 46.850 45.100 0.040 0.000 0.774 457 G HN 0.463 nan 8.290 nan 0.000 0.562 458 S N 0.129 115.674 115.700 -0.259 0.000 2.419 458 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 458 S C 1.789 176.302 174.600 -0.144 0.000 1.019 458 S CA 0.958 58.983 58.200 -0.293 0.000 0.982 458 S CB -0.470 62.388 63.200 -0.570 0.000 0.789 458 S HN 0.157 nan 8.310 nan 0.000 0.490 459 F N 2.417 122.483 119.950 0.193 0.000 2.725 459 F HA 0.404 4.930 4.527 -0.000 0.000 0.303 459 F C 2.025 177.950 175.800 0.209 0.000 1.167 459 F CA -0.316 57.874 58.000 0.316 0.000 1.403 459 F CB -0.437 38.946 39.000 0.638 0.000 1.077 459 F HN 0.412 nan 8.300 nan 0.000 0.537 460 G N -1.163 107.781 108.800 0.239 0.000 2.245 460 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.264 460 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.264 460 G C 0.325 175.244 174.900 0.032 0.000 0.985 460 G CA -0.086 45.055 45.100 0.069 0.000 0.625 460 G HN 0.323 nan 8.290 nan 0.000 0.536 461 Y N 2.332 122.757 120.300 0.207 0.000 2.357 461 Y HA 0.458 5.008 4.550 -0.000 0.000 0.340 461 Y C 1.090 177.126 175.900 0.227 0.000 1.260 461 Y CA 0.377 58.605 58.100 0.214 0.000 1.425 461 Y CB 0.675 39.340 38.460 0.341 0.000 1.326 461 Y HN 0.484 nan 8.280 nan 0.000 0.580 462 D N -1.339 119.290 120.400 0.382 0.000 2.958 462 D HA 0.112 4.752 4.640 -0.000 0.000 0.306 462 D C 0.228 176.696 176.300 0.281 0.000 1.226 462 D CA -0.514 53.649 54.000 0.271 0.000 1.032 462 D CB -0.106 40.789 40.800 0.159 0.000 1.400 462 D HN 0.365 nan 8.370 nan 0.000 0.587 463 D N -0.917 119.597 120.400 0.190 0.000 2.263 463 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 463 D C 1.801 178.202 176.300 0.169 0.000 0.971 463 D CA 1.587 55.683 54.000 0.160 0.000 0.867 463 D CB -0.242 40.629 40.800 0.118 0.000 0.929 463 D HN 0.439 nan 8.370 nan 0.000 0.492 464 A N -0.259 122.673 122.820 0.186 0.000 1.969 464 A HA -0.082 4.237 4.320 -0.000 0.000 0.218 464 A C 0.922 178.665 177.584 0.266 0.000 1.169 464 A CA 0.307 52.451 52.037 0.179 0.000 0.635 464 A CB -0.745 18.339 19.000 0.140 0.000 0.810 464 A HN 0.413 nan 8.150 nan 0.000 0.445 465 W N 1.973 123.333 121.300 0.100 0.000 2.303 465 W HA 0.282 4.942 4.660 -0.000 0.000 0.318 465 W C 0.851 177.413 176.519 0.071 0.000 1.362 465 W CA -1.028 56.376 57.345 0.098 0.000 1.234 465 W CB 0.536 30.084 29.460 0.147 0.000 1.248 465 W HN 0.221 nan 8.180 nan 0.000 0.546 466 K N 3.054 123.551 120.400 0.163 0.000 2.074 466 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 466 K C 1.713 178.147 176.600 -0.276 0.000 1.048 466 K CA 1.866 58.124 56.287 -0.047 0.000 0.926 466 K CB -0.406 32.102 32.500 0.012 0.000 0.713 466 K HN 0.401 nan 8.250 nan 0.000 0.444 467 V N 2.023 121.504 119.914 -0.723 0.000 2.252 467 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 467 V C 2.263 178.116 176.094 -0.402 0.000 1.056 467 V CA 1.847 63.700 62.300 -0.745 0.000 1.022 467 V CB -0.437 30.511 31.823 -1.459 0.000 0.641 467 V HN 0.283 nan 8.190 nan 0.000 0.445 468 I N -0.405 119.936 120.570 -0.381 0.000 2.179 468 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 468 I C 2.775 178.905 176.117 0.022 0.000 1.088 468 I CA 2.027 63.312 61.300 -0.026 0.000 1.357 468 I CB -0.517 37.560 38.000 0.129 0.000 1.051 468 I HN 0.261 nan 8.210 nan 0.000 0.409 469 R N 1.465 121.969 120.500 0.006 0.000 2.096 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 469 R C 2.478 178.788 176.300 0.016 0.000 1.139 469 R CA 1.795 57.913 56.100 0.030 0.000 0.952 469 R CB -0.207 30.111 30.300 0.029 0.000 0.854 469 R HN 0.304 nan 8.270 nan 0.000 0.436 470 R N -0.094 120.387 120.500 -0.032 0.000 2.105 470 R HA -0.122 4.217 4.340 -0.000 0.000 0.239 470 R C 2.388 178.695 176.300 0.013 0.000 1.135 470 R CA 1.418 57.494 56.100 -0.039 0.000 0.967 470 R CB -0.424 29.804 30.300 -0.119 0.000 0.861 470 R HN 0.320 nan 8.270 nan 0.000 0.442 471 A N 0.905 123.745 122.820 0.034 0.000 1.873 471 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 471 A C 2.423 180.121 177.584 0.191 0.000 1.186 471 A CA 1.321 53.448 52.037 0.149 0.000 0.616 471 A CB -0.540 18.623 19.000 0.273 0.000 0.823 471 A HN 0.104 nan 8.150 nan 0.000 0.442 472 V N 0.468 120.455 119.914 0.122 0.000 2.287 472 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 472 V C 2.571 178.724 176.094 0.099 0.000 1.053 472 V CA 2.158 64.521 62.300 0.105 0.000 1.027 472 V CB -0.821 31.060 31.823 0.097 0.000 0.646 472 V HN 0.507 nan 8.190 nan 0.000 0.447 473 E N -0.387 119.863 120.200 0.082 0.000 2.070 473 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 473 E C 2.057 178.707 176.600 0.084 0.000 1.004 473 E CA 1.974 58.408 56.400 0.057 0.000 0.805 473 E CB -0.566 29.160 29.700 0.043 0.000 0.744 473 E HN 0.782 nan 8.360 nan 0.000 0.451 474 Y N 1.438 121.745 120.300 0.012 0.000 2.128 474 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 474 Y C 2.241 178.187 175.900 0.076 0.000 1.154 474 Y CA 1.529 59.644 58.100 0.024 0.000 1.149 474 Y CB -0.519 37.943 38.460 0.003 0.000 0.976 474 Y HN -0.051 nan 8.280 nan 0.000 0.505 475 L N 0.118 121.282 121.223 -0.099 0.000 2.046 475 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 475 L C 2.504 179.487 176.870 0.188 0.000 1.077 475 L CA 1.752 56.533 54.840 -0.097 0.000 0.747 475 L CB -0.586 41.413 42.059 -0.100 0.000 0.896 475 L HN 0.147 nan 8.230 nan 0.000 0.432 476 K N 0.015 120.507 120.400 0.152 0.000 2.152 476 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 476 K C 2.173 178.786 176.600 0.023 0.000 1.048 476 K CA 1.254 57.614 56.287 0.122 0.000 0.933 476 K CB -0.114 32.331 32.500 -0.091 0.000 0.721 476 K HN 0.355 nan 8.250 nan 0.000 0.447 477 R N 0.438 120.920 120.500 -0.030 0.000 2.153 477 R HA -0.017 4.323 4.340 -0.000 0.000 0.218 477 R C 1.619 177.870 176.300 -0.081 0.000 1.072 477 R CA 0.583 56.646 56.100 -0.061 0.000 0.990 477 R CB 0.106 30.377 30.300 -0.049 0.000 0.889 477 R HN 0.127 nan 8.270 nan 0.000 0.452 478 E N 1.087 121.230 120.200 -0.094 0.000 2.442 478 E HA -0.053 4.296 4.350 -0.000 0.000 0.195 478 E C 0.326 176.904 176.600 -0.037 0.000 1.030 478 E CA 0.146 56.500 56.400 -0.077 0.000 0.869 478 E CB 0.145 29.724 29.700 -0.202 0.000 0.857 478 E HN 0.315 nan 8.360 nan 0.000 0.505 479 Q N 1.836 121.580 119.800 -0.093 0.000 2.263 479 Q HA -0.039 4.301 4.340 -0.000 0.000 0.289 479 Q C -0.451 175.269 176.000 -0.466 0.000 1.061 479 Q CA 0.113 55.520 55.803 -0.660 0.000 0.927 479 Q CB 0.499 28.790 28.738 -0.744 0.000 1.154 479 Q HN -0.328 nan 8.270 nan 0.000 0.378 480 K N 5.334 125.428 120.400 -0.511 0.000 2.355 480 K HA 0.053 4.373 4.320 -0.000 0.000 0.270 480 K C -1.837 174.571 176.600 -0.321 0.000 1.003 480 K CA -1.427 54.661 56.287 -0.333 0.000 0.957 480 K CB 0.446 32.762 32.500 -0.307 0.000 0.939 480 K HN 0.449 nan 8.250 nan 0.000 0.482 481 P HA -0.229 nan 4.420 nan 0.000 0.218 481 P C 0.160 177.369 177.300 -0.151 0.000 1.154 481 P CA 1.566 64.574 63.100 -0.153 0.000 0.872 481 P CB 0.086 31.723 31.700 -0.105 0.000 0.790 482 D N -2.255 118.037 120.400 -0.180 0.000 2.363 482 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 482 D C 1.245 177.417 176.300 -0.214 0.000 1.020 482 D CA 1.018 54.949 54.000 -0.116 0.000 0.892 482 D CB -0.597 40.186 40.800 -0.029 0.000 0.900 482 D HN 0.285 nan 8.370 nan 0.000 0.531 483 G N 0.887 109.468 108.800 -0.365 0.000 2.141 483 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.231 483 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.231 483 G C 0.303 174.765 174.900 -0.730 0.000 0.984 483 G CA 0.353 45.182 45.100 -0.451 0.000 0.660 483 G HN 0.722 nan 8.290 nan 0.000 0.525 484 S N -0.922 114.233 115.700 -0.909 0.000 2.745 484 S HA 0.831 5.301 4.470 -0.000 0.000 0.292 484 S C -0.407 173.812 174.600 -0.635 0.000 1.133 484 S CA -0.871 56.755 58.200 -0.957 0.000 0.998 484 S CB 1.931 64.247 63.200 -1.473 0.000 1.087 484 S HN 0.524 nan 8.310 nan 0.000 0.551 485 W N 1.063 122.250 121.300 -0.188 0.000 2.619 485 W HA 0.384 5.043 4.660 -0.000 0.000 0.327 485 W C -0.841 175.659 176.519 -0.031 0.000 1.027 485 W CA -1.750 55.556 57.345 -0.065 0.000 1.233 485 W CB 1.469 30.852 29.460 -0.129 0.000 1.370 485 W HN 0.772 nan 8.180 nan 0.000 0.453 486 F N 2.608 122.601 119.950 0.071 0.000 2.607 486 F HA 0.337 4.864 4.527 -0.000 0.000 0.374 486 F C 0.908 176.608 175.800 -0.166 0.000 1.104 486 F CA 0.847 58.697 58.000 -0.249 0.000 1.296 486 F CB 0.660 39.604 39.000 -0.094 0.000 1.085 486 F HN 0.297 nan 8.300 nan 0.000 0.584 487 G N 5.960 114.151 108.800 -1.014 0.000 2.404 487 G HA2 0.303 4.263 3.960 -0.000 0.000 0.316 487 G HA3 0.303 4.263 3.960 -0.000 0.000 0.316 487 G C 0.383 174.878 174.900 -0.674 0.000 1.074 487 G CA -0.647 44.143 45.100 -0.517 0.000 0.989 487 G HN 0.791 nan 8.290 nan 0.000 0.430 488 R N 2.334 122.666 120.500 -0.280 0.000 2.080 488 R HA 0.077 4.417 4.340 -0.000 0.000 0.222 488 R C 1.110 177.081 176.300 -0.548 0.000 1.107 488 R CA 1.240 57.159 56.100 -0.302 0.000 0.980 488 R CB -0.204 30.002 30.300 -0.157 0.000 0.879 488 R HN 0.666 nan 8.270 nan 0.000 0.439 489 W N -0.836 120.483 121.300 0.032 0.000 3.058 489 W HA 0.492 5.152 4.660 -0.000 0.000 0.306 489 W C 0.504 176.890 176.519 -0.221 0.000 1.188 489 W CA 0.138 57.455 57.345 -0.047 0.000 1.651 489 W CB 0.512 29.965 29.460 -0.012 0.000 1.051 489 W HN 0.146 nan 8.180 nan 0.000 0.592 490 G N 0.006 108.571 108.800 -0.390 0.000 2.519 490 G HA2 0.424 4.384 3.960 -0.000 0.000 0.307 490 G HA3 0.424 4.384 3.960 -0.000 0.000 0.307 490 G C -1.017 173.678 174.900 -0.342 0.000 1.266 490 G CA -0.792 43.692 45.100 -1.026 0.000 0.970 490 G HN -0.259 nan 8.290 nan 0.000 0.481 491 V N 3.690 123.631 119.914 0.044 0.000 2.450 491 V HA -0.046 4.074 4.120 -0.000 0.000 0.264 491 V C 1.107 177.291 176.094 0.149 0.000 0.996 491 V CA -0.061 62.377 62.300 0.230 0.000 1.138 491 V CB -1.567 30.425 31.823 0.281 0.000 1.051 491 V HN 0.892 nan 8.190 nan 0.000 0.470 492 N N 3.486 122.137 118.700 -0.082 0.000 1.352 492 N HA -0.307 4.433 4.740 -0.000 0.000 0.096 492 N C 0.840 176.153 175.510 -0.329 0.000 0.792 492 N CA 1.939 54.705 53.050 -0.474 0.000 0.831 492 N CB -0.593 37.451 38.487 -0.739 0.000 0.865 492 N HN 0.532 nan 8.380 nan 0.000 0.716 493 Y N 0.362 120.609 120.300 -0.089 0.000 2.173 493 Y HA -0.171 4.379 4.550 -0.000 0.000 0.282 493 Y C 2.454 178.371 175.900 0.028 0.000 1.192 493 Y CA 1.565 59.614 58.100 -0.086 0.000 1.176 493 Y CB -0.394 37.960 38.460 -0.176 0.000 0.969 493 Y HN 0.358 nan 8.280 nan 0.000 0.519 494 L N -2.116 119.290 121.223 0.305 0.000 2.109 494 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 494 L C 2.294 179.265 176.870 0.168 0.000 1.086 494 L CA 1.136 56.155 54.840 0.298 0.000 0.760 494 L CB -0.538 41.723 42.059 0.336 0.000 0.910 494 L HN 0.248 nan 8.230 nan 0.000 0.437 495 Y N 0.704 120.955 120.300 -0.081 0.000 2.092 495 Y HA -0.143 4.407 4.550 -0.000 0.000 0.282 495 Y C 2.330 177.961 175.900 -0.448 0.000 1.126 495 Y CA 1.515 59.275 58.100 -0.567 0.000 1.111 495 Y CB -0.896 37.172 38.460 -0.653 0.000 0.987 495 Y HN 0.043 nan 8.280 nan 0.000 0.489 496 G N -0.996 107.604 108.800 -0.334 0.000 2.459 496 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 496 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 496 G C 1.650 176.407 174.900 -0.237 0.000 1.183 496 G CA 1.767 46.666 45.100 -0.335 0.000 0.776 496 G HN 0.444 nan 8.290 nan 0.000 0.552 497 T N 1.012 115.542 114.554 -0.040 0.000 2.720 497 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 497 T C 2.460 177.119 174.700 -0.067 0.000 1.037 497 T CA 1.532 63.682 62.100 0.084 0.000 1.144 497 T CB -0.611 68.316 68.868 0.099 0.000 0.864 497 T HN 0.379 nan 8.240 nan 0.000 0.444 498 G N 1.183 109.892 108.800 -0.151 0.000 2.421 498 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 498 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 498 G C 1.858 176.591 174.900 -0.277 0.000 1.171 498 G CA 0.913 45.901 45.100 -0.187 0.000 0.775 498 G HN 0.583 nan 8.290 nan 0.000 0.543 499 A N 0.091 122.635 122.820 -0.461 0.000 1.877 499 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 499 A C 2.638 179.984 177.584 -0.397 0.000 1.186 499 A CA 2.018 53.776 52.037 -0.465 0.000 0.620 499 A CB -0.809 17.744 19.000 -0.745 0.000 0.822 499 A HN 0.271 nan 8.150 nan 0.000 0.443 500 V N -0.301 119.326 119.914 -0.478 0.000 2.233 500 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 500 V C 2.600 178.425 176.094 -0.448 0.000 1.050 500 V CA 2.164 64.099 62.300 -0.609 0.000 1.010 500 V CB -0.992 30.137 31.823 -1.157 0.000 0.637 500 V HN 0.375 nan 8.190 nan 0.000 0.444 501 V N 1.170 120.896 119.914 -0.313 0.000 2.287 501 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 501 V C 2.684 178.690 176.094 -0.147 0.000 1.053 501 V CA 2.479 64.673 62.300 -0.176 0.000 1.027 501 V CB -1.047 30.737 31.823 -0.065 0.000 0.646 501 V HN 0.777 nan 8.190 nan 0.000 0.447 502 S N 0.647 116.265 115.700 -0.137 0.000 2.423 502 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 502 S C 2.003 176.533 174.600 -0.117 0.000 1.014 502 S CA 1.163 59.308 58.200 -0.093 0.000 0.965 502 S CB -0.398 62.773 63.200 -0.050 0.000 0.785 502 S HN 0.585 nan 8.310 nan 0.000 0.495 503 A N 2.602 125.319 122.820 -0.172 0.000 1.840 503 A HA 0.202 4.522 4.320 -0.000 0.000 0.214 503 A C 2.289 179.785 177.584 -0.147 0.000 1.198 503 A CA 1.263 53.186 52.037 -0.190 0.000 0.608 503 A CB -0.999 17.856 19.000 -0.241 0.000 0.839 503 A HN 0.489 nan 8.150 nan 0.000 0.443 504 L N -0.400 120.731 121.223 -0.153 0.000 2.089 504 L HA -0.252 4.087 4.340 -0.000 0.000 0.213 504 L C 2.717 179.552 176.870 -0.057 0.000 1.079 504 L CA 1.841 56.624 54.840 -0.096 0.000 0.758 504 L CB -0.547 41.440 42.059 -0.119 0.000 0.891 504 L HN 0.378 nan 8.230 nan 0.000 0.433 505 K N 0.751 121.110 120.400 -0.069 0.000 2.025 505 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 505 K C 2.076 178.655 176.600 -0.035 0.000 1.049 505 K CA 1.649 57.910 56.287 -0.043 0.000 0.933 505 K CB -0.195 32.279 32.500 -0.043 0.000 0.714 505 K HN 0.263 nan 8.250 nan 0.000 0.438 506 A N 0.899 123.682 122.820 -0.061 0.000 2.019 506 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 506 A C 1.933 179.501 177.584 -0.027 0.000 1.164 506 A CA 1.739 53.734 52.037 -0.070 0.000 0.644 506 A CB -0.477 18.430 19.000 -0.155 0.000 0.805 506 A HN 0.233 nan 8.150 nan 0.000 0.449 507 V N -4.147 115.766 119.914 -0.002 0.000 3.577 507 V HA 0.551 4.671 4.120 -0.000 0.000 0.294 507 V C 1.293 177.434 176.094 0.077 0.000 1.317 507 V CA 0.670 63.010 62.300 0.066 0.000 1.169 507 V CB -0.829 31.047 31.823 0.087 0.000 1.011 507 V HN 1.349 nan 8.190 nan 0.000 0.426 508 G N 0.417 109.245 108.800 0.047 0.000 2.195 508 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.246 508 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.246 508 G C 0.017 174.947 174.900 0.049 0.000 0.984 508 G CA 0.033 45.163 45.100 0.050 0.000 0.633 508 G HN 0.444 nan 8.290 nan 0.000 0.525 509 I N 1.533 122.132 120.570 0.049 0.000 2.948 509 I HA 0.170 4.339 4.170 -0.000 0.000 0.290 509 I C 0.555 176.695 176.117 0.038 0.000 1.226 509 I CA -0.410 60.925 61.300 0.058 0.000 1.413 509 I CB 0.288 38.328 38.000 0.067 0.000 1.352 509 I HN 0.102 nan 8.210 nan 0.000 0.597 510 D N 3.068 123.498 120.400 0.051 0.000 2.336 510 D HA 0.084 4.724 4.640 -0.000 0.000 0.249 510 D C 1.320 177.625 176.300 0.009 0.000 1.213 510 D CA -0.093 53.928 54.000 0.035 0.000 0.870 510 D CB 0.820 41.651 40.800 0.051 0.000 1.076 510 D HN 0.645 nan 8.370 nan 0.000 0.483 511 T N 1.197 115.745 114.554 -0.009 0.000 3.025 511 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 511 T C 1.781 176.466 174.700 -0.025 0.000 1.126 511 T CA 0.695 62.776 62.100 -0.033 0.000 1.105 511 T CB -0.005 68.850 68.868 -0.021 0.000 0.884 511 T HN 0.310 nan 8.240 nan 0.000 0.522 512 R N 1.024 121.525 120.500 0.001 0.000 2.148 512 R HA 0.043 4.382 4.340 -0.000 0.000 0.223 512 R C 0.611 176.927 176.300 0.027 0.000 1.088 512 R CA 0.329 56.438 56.100 0.016 0.000 0.985 512 R CB -0.103 30.214 30.300 0.027 0.000 0.880 512 R HN 0.436 nan 8.270 nan 0.000 0.451 513 E N 0.536 120.757 120.200 0.036 0.000 2.537 513 E HA -0.134 4.216 4.350 -0.000 0.000 0.269 513 E C -1.864 174.787 176.600 0.085 0.000 1.038 513 E CA -0.557 55.904 56.400 0.100 0.000 0.977 513 E CB 0.218 30.016 29.700 0.163 0.000 0.973 513 E HN 0.142 nan 8.360 nan 0.000 0.456 514 P HA -0.169 nan 4.420 nan 0.000 0.214 514 P C 1.408 178.803 177.300 0.158 0.000 1.162 514 P CA 1.543 64.729 63.100 0.143 0.000 0.879 514 P CB -0.190 31.596 31.700 0.144 0.000 0.786 515 Y N -0.900 119.415 120.300 0.025 0.000 2.274 515 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 515 Y C 1.929 177.858 175.900 0.047 0.000 1.145 515 Y CA 0.653 58.758 58.100 0.009 0.000 1.203 515 Y CB -2.045 36.425 38.460 0.015 0.000 0.984 515 Y HN -0.074 nan 8.280 nan 0.000 0.533 516 I N 0.237 120.512 120.570 -0.491 0.000 2.233 516 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 516 I C 2.497 178.561 176.117 -0.089 0.000 1.093 516 I CA 1.195 62.297 61.300 -0.329 0.000 1.380 516 I CB -0.460 37.309 38.000 -0.385 0.000 1.067 516 I HN 0.231 nan 8.210 nan 0.000 0.413 517 Q N 0.909 120.677 119.800 -0.053 0.000 2.084 517 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 517 Q C 2.147 178.170 176.000 0.039 0.000 0.978 517 Q CA 1.485 57.294 55.803 0.010 0.000 0.844 517 Q CB -0.418 28.334 28.738 0.023 0.000 0.898 517 Q HN 0.460 nan 8.270 nan 0.000 0.426 518 K N 0.172 120.591 120.400 0.032 0.000 2.103 518 K HA -0.138 4.181 4.320 -0.000 0.000 0.207 518 K C 1.924 178.563 176.600 0.065 0.000 1.048 518 K CA 1.233 57.548 56.287 0.045 0.000 0.930 518 K CB 0.007 32.519 32.500 0.020 0.000 0.716 518 K HN 0.150 nan 8.250 nan 0.000 0.444 519 A N 0.795 123.631 122.820 0.027 0.000 1.872 519 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 519 A C 1.944 179.638 177.584 0.183 0.000 1.187 519 A CA 0.775 52.848 52.037 0.060 0.000 0.614 519 A CB -0.495 18.544 19.000 0.064 0.000 0.826 519 A HN 0.249 nan 8.150 nan 0.000 0.442 520 L N 0.532 121.829 121.223 0.125 0.000 2.043 520 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 520 L C 1.869 178.838 176.870 0.164 0.000 1.075 520 L CA 2.105 57.019 54.840 0.124 0.000 0.752 520 L CB -0.911 41.192 42.059 0.072 0.000 0.891 520 L HN 0.370 nan 8.230 nan 0.000 0.432 521 D N -2.005 118.490 120.400 0.159 0.000 2.097 521 D HA -0.266 4.374 4.640 -0.000 0.000 0.195 521 D C 1.927 178.362 176.300 0.225 0.000 0.989 521 D CA 1.176 55.272 54.000 0.160 0.000 0.827 521 D CB -0.370 40.508 40.800 0.129 0.000 0.966 521 D HN 0.477 nan 8.370 nan 0.000 0.456 522 W N 1.564 122.915 121.300 0.085 0.000 2.321 522 W HA -0.252 4.408 4.660 -0.000 0.000 0.306 522 W C 2.166 178.820 176.519 0.225 0.000 1.217 522 W CA 1.391 58.814 57.345 0.130 0.000 1.257 522 W CB -0.313 29.158 29.460 0.018 0.000 1.145 522 W HN -0.228 nan 8.180 nan 0.000 0.509 523 V N 0.774 120.926 119.914 0.397 0.000 2.287 523 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 523 V C 2.140 178.451 176.094 0.363 0.000 1.053 523 V CA 2.454 64.909 62.300 0.259 0.000 1.027 523 V CB -0.969 30.939 31.823 0.141 0.000 0.646 523 V HN 0.206 nan 8.190 nan 0.000 0.447 524 E N -0.266 120.111 120.200 0.297 0.000 2.160 524 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 524 E C 2.129 178.802 176.600 0.122 0.000 0.991 524 E CA 1.224 57.788 56.400 0.273 0.000 0.810 524 E CB -0.145 29.657 29.700 0.171 0.000 0.742 524 E HN 0.694 nan 8.360 nan 0.000 0.466 525 Q N -0.578 119.247 119.800 0.042 0.000 2.482 525 Q HA -0.052 4.288 4.340 -0.000 0.000 0.209 525 Q C 0.535 176.290 176.000 -0.408 0.000 0.961 525 Q CA 0.581 56.287 55.803 -0.161 0.000 0.945 525 Q CB 0.214 28.832 28.738 -0.200 0.000 1.012 525 Q HN 0.360 nan 8.270 nan 0.000 0.515 526 H N -1.121 117.825 119.070 -0.207 0.000 2.893 526 H HA 0.145 4.701 4.556 -0.000 0.000 0.270 526 H C -0.326 174.856 175.328 -0.243 0.000 1.095 526 H CA -0.325 55.589 56.048 -0.223 0.000 1.186 526 H CB 0.512 30.061 29.762 -0.354 0.000 1.562 526 H HN 0.101 nan 8.280 nan 0.000 0.536 527 Q N 1.885 121.469 119.800 -0.359 0.000 2.274 527 Q HA 0.007 4.347 4.340 -0.000 0.000 0.280 527 Q C -0.379 175.240 176.000 -0.634 0.000 1.047 527 Q CA -0.326 54.816 55.803 -1.102 0.000 0.907 527 Q CB 0.469 28.602 28.738 -1.008 0.000 1.171 527 Q HN 0.312 nan 8.270 nan 0.000 0.381 528 N N 5.090 123.428 118.700 -0.602 0.000 2.444 528 N HA 0.071 4.811 4.740 -0.000 0.000 0.255 528 N C -1.718 173.624 175.510 -0.280 0.000 1.255 528 N CA -1.431 51.419 53.050 -0.333 0.000 0.933 528 N CB 0.421 38.763 38.487 -0.242 0.000 1.143 528 N HN 0.513 nan 8.380 nan 0.000 0.453 529 P HA -0.199 nan 4.420 nan 0.000 0.216 529 P C 0.278 177.525 177.300 -0.087 0.000 1.154 529 P CA 1.546 64.574 63.100 -0.120 0.000 0.865 529 P CB 0.098 31.752 31.700 -0.078 0.000 0.789 530 D N -1.480 118.890 120.400 -0.049 0.000 2.384 530 D HA 0.005 4.645 4.640 -0.000 0.000 0.222 530 D C 1.588 177.932 176.300 0.074 0.000 0.976 530 D CA 1.291 55.321 54.000 0.050 0.000 0.915 530 D CB -0.961 39.938 40.800 0.165 0.000 0.896 530 D HN 0.367 nan 8.370 nan 0.000 0.523 531 G N -1.317 107.417 108.800 -0.109 0.000 2.232 531 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.226 531 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.226 531 G C 0.613 175.292 174.900 -0.368 0.000 0.996 531 G CA 0.027 45.025 45.100 -0.170 0.000 0.626 531 G HN 0.835 nan 8.290 nan 0.000 0.509 532 G N -1.531 106.956 108.800 -0.521 0.000 2.568 532 G HA2 0.555 4.515 3.960 -0.000 0.000 0.293 532 G HA3 0.555 4.515 3.960 -0.000 0.000 0.293 532 G C -0.375 174.168 174.900 -0.594 0.000 1.347 532 G CA -0.659 43.965 45.100 -0.793 0.000 1.039 532 G HN 0.251 nan 8.290 nan 0.000 0.523 533 W N -1.305 119.756 121.300 -0.398 0.000 2.781 533 W HA 0.621 5.281 4.660 -0.000 0.000 0.345 533 W C 0.006 176.411 176.519 -0.189 0.000 1.085 533 W CA -0.655 56.564 57.345 -0.211 0.000 1.198 533 W CB 2.481 31.872 29.460 -0.116 0.000 1.423 533 W HN 0.829 nan 8.180 nan 0.000 0.532 534 G N 1.129 110.013 108.800 0.140 0.000 2.733 534 G HA2 0.493 4.452 3.960 -0.000 0.000 0.297 534 G HA3 0.493 4.452 3.960 -0.000 0.000 0.297 534 G C -2.117 172.839 174.900 0.095 0.000 1.422 534 G CA -0.564 44.569 45.100 0.054 0.000 0.942 534 G HN 0.339 nan 8.290 nan 0.000 0.510 535 E N 0.789 121.028 120.200 0.066 0.000 2.317 535 E HA 0.307 4.657 4.350 -0.000 0.000 0.270 535 E C -1.526 175.074 176.600 -0.000 0.000 0.899 535 E CA -0.612 55.845 56.400 0.095 0.000 0.814 535 E CB 1.998 31.803 29.700 0.176 0.000 1.296 535 E HN 0.478 nan 8.360 nan 0.000 0.404 536 D N 2.212 122.576 120.400 -0.060 0.000 2.339 536 D HA 0.086 4.726 4.640 -0.000 0.000 0.245 536 D C 0.583 176.749 176.300 -0.224 0.000 1.115 536 D CA -0.368 53.514 54.000 -0.196 0.000 0.917 536 D CB 0.942 41.554 40.800 -0.314 0.000 1.192 536 D HN 0.497 nan 8.370 nan 0.000 0.428 537 C N 2.008 121.055 119.300 -0.420 0.000 2.430 537 C HA -0.007 4.453 4.460 -0.000 0.000 0.288 537 C C 2.274 177.012 174.990 -0.420 0.000 1.448 537 C CA 0.199 58.808 59.018 -0.682 0.000 1.784 537 C CB -1.259 25.280 27.740 -2.001 0.000 1.776 537 C HN 0.651 nan 8.230 nan 0.000 0.547 538 R N 1.401 121.711 120.500 -0.316 0.000 2.285 538 R HA -0.090 4.250 4.340 -0.000 0.000 0.213 538 R C 2.177 178.510 176.300 0.054 0.000 1.068 538 R CA 1.312 57.328 56.100 -0.139 0.000 1.004 538 R CB -0.088 29.932 30.300 -0.466 0.000 0.873 538 R HN 0.711 nan 8.270 nan 0.000 0.467 539 S N -0.875 114.849 115.700 0.039 0.000 2.537 539 S HA -0.135 4.335 4.470 -0.000 0.000 0.240 539 S C 1.154 175.780 174.600 0.043 0.000 0.981 539 S CA 0.708 58.978 58.200 0.115 0.000 0.948 539 S CB -0.214 63.048 63.200 0.103 0.000 0.759 539 S HN 0.358 nan 8.310 nan 0.000 0.531 540 Y N 1.294 121.710 120.300 0.194 0.000 2.476 540 Y HA 0.270 4.820 4.550 -0.000 0.000 0.283 540 Y C 2.586 178.618 175.900 0.220 0.000 1.109 540 Y CA 0.493 58.738 58.100 0.241 0.000 1.246 540 Y CB 0.116 38.722 38.460 0.243 0.000 1.068 540 Y HN 0.232 nan 8.280 nan 0.000 0.552 541 E N -0.110 120.285 120.200 0.325 0.000 2.065 541 E HA -0.051 4.298 4.350 -0.000 0.000 0.191 541 E C -0.034 176.698 176.600 0.221 0.000 0.960 541 E CA 0.686 57.238 56.400 0.252 0.000 0.824 541 E CB -0.231 29.611 29.700 0.236 0.000 0.793 541 E HN 0.178 nan 8.360 nan 0.000 0.459 542 D N 1.990 122.538 120.400 0.247 0.000 2.373 542 D HA 0.083 4.723 4.640 -0.000 0.000 0.227 542 D C -1.800 174.643 176.300 0.238 0.000 1.091 542 D CA -2.430 51.717 54.000 0.244 0.000 0.840 542 D CB 1.474 42.469 40.800 0.325 0.000 1.060 542 D HN -0.184 nan 8.370 nan 0.000 0.502 543 P HA -0.082 nan 4.420 nan 0.000 0.231 543 P C 0.768 178.125 177.300 0.095 0.000 1.158 543 P CA 0.399 63.577 63.100 0.130 0.000 0.763 543 P CB 0.306 32.056 31.700 0.082 0.000 0.805 544 A N -1.017 121.851 122.820 0.079 0.000 1.970 544 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 544 A C 1.717 179.285 177.584 -0.026 0.000 1.170 544 A CA 0.627 52.656 52.037 -0.014 0.000 0.645 544 A CB -1.387 17.552 19.000 -0.103 0.000 0.816 544 A HN 0.071 nan 8.150 nan 0.000 0.447 545 Y N 0.344 120.694 120.300 0.084 0.000 2.578 545 Y HA 0.324 4.874 4.550 -0.000 0.000 0.297 545 Y C 1.529 177.507 175.900 0.131 0.000 1.176 545 Y CA -0.262 57.892 58.100 0.090 0.000 1.315 545 Y CB -0.512 37.996 38.460 0.080 0.000 1.031 545 Y HN 0.294 nan 8.280 nan 0.000 0.524 546 A N 0.344 123.325 122.820 0.268 0.000 2.526 546 A HA 0.365 4.685 4.320 -0.000 0.000 0.267 546 A C 1.616 179.391 177.584 0.319 0.000 1.095 546 A CA 0.835 53.040 52.037 0.280 0.000 0.775 546 A CB -1.072 17.947 19.000 0.031 0.000 1.036 546 A HN 0.878 nan 8.150 nan 0.000 0.510 547 G N 2.145 111.157 108.800 0.352 0.000 2.148 547 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 547 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 547 G C 0.155 175.209 174.900 0.257 0.000 0.981 547 G CA 0.836 46.057 45.100 0.202 0.000 0.670 547 G HN 0.828 nan 8.290 nan 0.000 0.528 548 K N -0.004 120.551 120.400 0.257 0.000 2.221 548 K HA 0.675 4.995 4.320 -0.000 0.000 0.258 548 K C 0.379 177.103 176.600 0.207 0.000 0.944 548 K CA 0.061 56.478 56.287 0.216 0.000 0.823 548 K CB 1.981 34.612 32.500 0.217 0.000 1.113 548 K HN 1.073 nan 8.250 nan 0.000 0.431 549 G N 0.537 109.402 108.800 0.109 0.000 2.353 549 G HA2 0.303 4.263 3.960 -0.000 0.000 0.308 549 G HA3 0.303 4.263 3.960 -0.000 0.000 0.308 549 G C -1.518 173.346 174.900 -0.060 0.000 1.418 549 G CA -0.677 44.426 45.100 0.004 0.000 0.966 549 G HN 0.642 nan 8.290 nan 0.000 0.638 550 A N 0.505 123.229 122.820 -0.160 0.000 2.540 550 A HA 0.574 4.894 4.320 -0.000 0.000 0.239 550 A C 1.147 178.709 177.584 -0.037 0.000 1.061 550 A CA 0.979 52.964 52.037 -0.087 0.000 0.758 550 A CB -0.084 18.871 19.000 -0.075 0.000 0.991 550 A HN 1.782 nan 8.150 nan 0.000 0.502 551 S N 1.106 116.809 115.700 0.003 0.000 2.552 551 S HA 0.377 4.846 4.470 -0.000 0.000 0.289 551 S C 0.760 175.407 174.600 0.079 0.000 1.304 551 S CA 0.630 58.790 58.200 -0.067 0.000 1.063 551 S CB 0.091 63.122 63.200 -0.280 0.000 0.848 551 S HN 1.107 nan 8.310 nan 0.000 0.499 552 T N 1.081 115.639 114.554 0.006 0.000 2.906 552 T HA 0.507 4.856 4.350 -0.000 0.000 0.295 552 T C -2.585 172.108 174.700 -0.012 0.000 1.061 552 T CA -2.204 59.947 62.100 0.086 0.000 1.000 552 T CB 1.803 70.706 68.868 0.059 0.000 1.103 552 T HN 0.106 nan 8.240 nan 0.000 0.486 553 P HA -0.177 nan 4.420 nan 0.000 0.214 553 P C 1.994 179.089 177.300 -0.342 0.000 1.163 553 P CA 1.938 64.943 63.100 -0.158 0.000 0.883 553 P CB -0.056 31.507 31.700 -0.229 0.000 0.788 554 S N -0.184 115.276 115.700 -0.400 0.000 2.354 554 S HA -0.276 4.194 4.470 -0.000 0.000 0.219 554 S C 2.066 175.900 174.600 -1.276 0.000 1.035 554 S CA 1.277 58.993 58.200 -0.806 0.000 1.037 554 S CB -1.728 61.016 63.200 -0.761 0.000 0.956 554 S HN 0.185 nan 8.310 nan 0.000 0.428 555 Q N 0.617 119.838 119.800 -0.964 0.000 2.234 555 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 555 Q C 2.315 178.162 176.000 -0.255 0.000 0.980 555 Q CA 1.769 57.241 55.803 -0.552 0.000 0.869 555 Q CB -0.637 28.003 28.738 -0.163 0.000 0.912 555 Q HN 0.661 nan 8.270 nan 0.000 0.436 556 T N 0.557 114.972 114.554 -0.231 0.000 2.770 556 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 556 T C 1.918 176.526 174.700 -0.154 0.000 1.039 556 T CA 1.109 63.181 62.100 -0.047 0.000 1.142 556 T CB -0.249 68.569 68.868 -0.084 0.000 0.868 556 T HN 0.402 nan 8.240 nan 0.000 0.435 557 A N 0.859 123.526 122.820 -0.256 0.000 1.978 557 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 557 A C 2.072 179.608 177.584 -0.080 0.000 1.170 557 A CA 1.255 53.179 52.037 -0.187 0.000 0.636 557 A CB -0.856 18.017 19.000 -0.210 0.000 0.810 557 A HN 0.559 nan 8.150 nan 0.000 0.448 558 W N -0.473 120.675 121.300 -0.254 0.000 2.380 558 W HA -0.008 4.652 4.660 -0.000 0.000 0.317 558 W C 2.863 179.198 176.519 -0.307 0.000 1.196 558 W CA 0.723 57.898 57.345 -0.283 0.000 1.307 558 W CB -1.412 27.888 29.460 -0.266 0.000 1.157 558 W HN 0.403 nan 8.180 nan 0.000 0.483 559 A N -0.012 122.668 122.820 -0.232 0.000 1.978 559 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 559 A C 2.102 179.369 177.584 -0.528 0.000 1.170 559 A CA 1.302 52.973 52.037 -0.609 0.000 0.636 559 A CB -0.853 17.190 19.000 -1.596 0.000 0.810 559 A HN 0.143 nan 8.150 nan 0.000 0.448 560 L N -0.757 120.238 121.223 -0.380 0.000 2.017 560 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 560 L C 2.664 179.496 176.870 -0.064 0.000 1.073 560 L CA 2.133 56.874 54.840 -0.165 0.000 0.745 560 L CB -1.157 40.864 42.059 -0.064 0.000 0.894 560 L HN 0.482 nan 8.230 nan 0.000 0.432 561 M N -1.249 118.328 119.600 -0.038 0.000 2.213 561 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 561 M C 2.297 178.582 176.300 -0.025 0.000 1.062 561 M CA 1.640 56.940 55.300 0.001 0.000 1.105 561 M CB -0.461 32.160 32.600 0.034 0.000 1.385 561 M HN 0.278 nan 8.290 nan 0.000 0.417 562 A N 0.894 123.676 122.820 -0.063 0.000 1.858 562 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 562 A C 2.095 179.662 177.584 -0.028 0.000 1.190 562 A CA 1.436 53.440 52.037 -0.055 0.000 0.617 562 A CB -0.928 18.034 19.000 -0.065 0.000 0.827 562 A HN 0.454 nan 8.150 nan 0.000 0.443 563 L N -0.576 120.627 121.223 -0.034 0.000 2.056 563 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 563 L C 2.514 179.402 176.870 0.030 0.000 1.078 563 L CA 1.160 56.008 54.840 0.014 0.000 0.749 563 L CB -0.604 41.478 42.059 0.038 0.000 0.901 563 L HN 0.378 nan 8.230 nan 0.000 0.433 564 I N 0.123 120.713 120.570 0.034 0.000 2.226 564 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 564 I C 2.821 178.945 176.117 0.012 0.000 1.100 564 I CA 1.254 62.577 61.300 0.038 0.000 1.374 564 I CB -0.470 37.565 38.000 0.057 0.000 1.057 564 I HN 0.205 nan 8.210 nan 0.000 0.413 565 A N 0.821 123.643 122.820 0.003 0.000 1.898 565 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 565 A C 2.305 179.882 177.584 -0.012 0.000 1.181 565 A CA 1.617 53.648 52.037 -0.009 0.000 0.620 565 A CB -1.282 17.704 19.000 -0.022 0.000 0.819 565 A HN 0.455 nan 8.150 nan 0.000 0.442 566 G N -1.966 106.829 108.800 -0.008 0.000 2.882 566 G HA2 0.327 4.287 3.960 -0.000 0.000 0.206 566 G HA3 0.327 4.287 3.960 -0.000 0.000 0.206 566 G C 1.223 176.126 174.900 0.005 0.000 1.155 566 G CA 0.738 45.835 45.100 -0.005 0.000 0.800 566 G HN 1.647 nan 8.290 nan 0.000 0.524 567 G N 0.047 108.851 108.800 0.007 0.000 2.268 567 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.240 567 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.240 567 G C 1.051 175.964 174.900 0.022 0.000 1.010 567 G CA 0.312 45.418 45.100 0.010 0.000 0.618 567 G HN 0.492 nan 8.290 nan 0.000 0.516 568 R N 1.379 121.900 120.500 0.036 0.000 2.858 568 R HA 0.574 4.914 4.340 -0.000 0.000 0.228 568 R C 2.314 178.661 176.300 0.078 0.000 1.471 568 R CA 1.054 57.189 56.100 0.058 0.000 1.342 568 R CB -0.535 29.809 30.300 0.072 0.000 1.152 568 R HN 0.598 nan 8.270 nan 0.000 0.521 569 A N 0.027 122.879 122.820 0.055 0.000 1.968 569 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 569 A C 1.905 179.539 177.584 0.083 0.000 1.169 569 A CA 1.126 53.202 52.037 0.064 0.000 0.638 569 A CB -0.045 18.930 19.000 -0.043 0.000 0.812 569 A HN 0.263 nan 8.150 nan 0.000 0.446 570 E N 0.545 120.775 120.200 0.050 0.000 2.216 570 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 570 E C 1.262 177.919 176.600 0.095 0.000 0.988 570 E CA 0.588 57.024 56.400 0.059 0.000 0.834 570 E CB -0.270 29.450 29.700 0.034 0.000 0.772 570 E HN 0.503 nan 8.360 nan 0.000 0.479 571 S N 0.118 115.878 115.700 0.099 0.000 2.553 571 S HA -0.120 4.350 4.470 -0.000 0.000 0.271 571 S C 1.291 175.963 174.600 0.121 0.000 1.362 571 S CA -0.056 58.206 58.200 0.103 0.000 1.010 571 S CB 0.499 63.765 63.200 0.109 0.000 0.865 571 S HN 0.162 nan 8.310 nan 0.000 0.543 572 E N 2.045 122.304 120.200 0.098 0.000 2.028 572 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 572 E C 2.417 179.076 176.600 0.100 0.000 0.984 572 E CA 1.446 57.898 56.400 0.087 0.000 0.800 572 E CB -0.972 28.761 29.700 0.055 0.000 0.758 572 E HN 0.782 nan 8.360 nan 0.000 0.448 573 A N 1.398 124.286 122.820 0.113 0.000 1.986 573 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 573 A C 2.360 180.099 177.584 0.259 0.000 1.171 573 A CA 2.342 54.470 52.037 0.152 0.000 0.640 573 A CB -0.584 18.552 19.000 0.226 0.000 0.811 573 A HN 0.301 nan 8.150 nan 0.000 0.451 574 A N -0.283 122.682 122.820 0.242 0.000 1.841 574 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 574 A C 2.246 179.939 177.584 0.182 0.000 1.195 574 A CA 1.765 53.954 52.037 0.253 0.000 0.611 574 A CB -0.568 18.591 19.000 0.264 0.000 0.835 574 A HN 0.556 nan 8.150 nan 0.000 0.443 575 R N -0.937 119.668 120.500 0.176 0.000 2.127 575 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 575 R C 2.319 178.659 176.300 0.068 0.000 1.134 575 R CA 1.226 57.396 56.100 0.117 0.000 0.975 575 R CB -0.206 30.193 30.300 0.165 0.000 0.865 575 R HN 0.349 nan 8.270 nan 0.000 0.447 576 R N -0.275 120.271 120.500 0.076 0.000 2.073 576 R HA -0.071 4.268 4.340 -0.000 0.000 0.234 576 R C 2.242 178.578 176.300 0.059 0.000 1.134 576 R CA 1.603 57.728 56.100 0.042 0.000 0.952 576 R CB -0.850 29.444 30.300 -0.009 0.000 0.850 576 R HN 0.452 nan 8.270 nan 0.000 0.433 577 G N 0.313 109.176 108.800 0.106 0.000 2.421 577 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 577 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 577 G C 1.566 176.562 174.900 0.160 0.000 1.171 577 G CA 0.764 45.983 45.100 0.199 0.000 0.775 577 G HN 0.164 nan 8.290 nan 0.000 0.543 578 V N 0.462 120.391 119.914 0.027 0.000 2.392 578 V HA -0.228 3.891 4.120 -0.000 0.000 0.249 578 V C 3.000 179.123 176.094 0.048 0.000 1.059 578 V CA 1.931 64.183 62.300 -0.080 0.000 1.051 578 V CB -0.432 31.155 31.823 -0.393 0.000 0.658 578 V HN 0.264 nan 8.190 nan 0.000 0.455 579 Q N -0.860 118.982 119.800 0.070 0.000 2.061 579 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 579 Q C 2.126 178.194 176.000 0.113 0.000 0.984 579 Q CA 2.246 58.100 55.803 0.085 0.000 0.846 579 Q CB -0.664 28.115 28.738 0.069 0.000 0.902 579 Q HN 0.798 nan 8.270 nan 0.000 0.421 580 Y N 1.028 121.351 120.300 0.038 0.000 2.114 580 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 580 Y C 2.077 178.050 175.900 0.122 0.000 1.165 580 Y CA 1.715 59.849 58.100 0.056 0.000 1.148 580 Y CB -0.394 38.085 38.460 0.032 0.000 0.972 580 Y HN 0.052 nan 8.280 nan 0.000 0.504 581 L N -1.270 120.137 121.223 0.306 0.000 2.056 581 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 581 L C 2.363 179.470 176.870 0.396 0.000 1.078 581 L CA 1.096 56.144 54.840 0.347 0.000 0.749 581 L CB -0.772 41.414 42.059 0.212 0.000 0.901 581 L HN 0.136 nan 8.230 nan 0.000 0.433 582 V N -0.029 120.017 119.914 0.220 0.000 2.343 582 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 582 V C 2.339 178.464 176.094 0.052 0.000 1.051 582 V CA 1.837 64.228 62.300 0.152 0.000 1.036 582 V CB -0.476 31.415 31.823 0.112 0.000 0.654 582 V HN 0.465 nan 8.190 nan 0.000 0.451 583 E N 0.503 120.705 120.200 0.004 0.000 2.046 583 E HA -0.159 4.190 4.350 -0.000 0.000 0.190 583 E C 2.238 178.768 176.600 -0.116 0.000 0.982 583 E CA 1.719 58.079 56.400 -0.067 0.000 0.800 583 E CB -0.362 29.285 29.700 -0.088 0.000 0.756 583 E HN 0.769 nan 8.360 nan 0.000 0.449 584 T N -0.886 113.573 114.554 -0.158 0.000 3.113 584 T HA -0.116 4.234 4.350 -0.000 0.000 0.263 584 T C 0.981 175.612 174.700 -0.115 0.000 1.143 584 T CA 0.049 62.062 62.100 -0.145 0.000 1.090 584 T CB -0.015 68.681 68.868 -0.287 0.000 0.922 584 T HN 0.013 nan 8.240 nan 0.000 0.521 585 Q N 1.252 120.911 119.800 -0.234 0.000 2.395 585 Q HA 0.117 4.457 4.340 -0.000 0.000 0.271 585 Q C -0.023 175.654 176.000 -0.538 0.000 1.026 585 Q CA -0.193 55.129 55.803 -0.802 0.000 0.900 585 Q CB 0.570 28.878 28.738 -0.716 0.000 1.266 585 Q HN 0.430 nan 8.270 nan 0.000 0.430 586 R N 3.018 123.142 120.500 -0.625 0.000 2.543 586 R HA 0.153 4.493 4.340 -0.000 0.000 0.268 586 R C -1.702 174.389 176.300 -0.347 0.000 1.067 586 R CA -1.716 54.150 56.100 -0.391 0.000 1.142 586 R CB 0.262 30.347 30.300 -0.358 0.000 1.110 586 R HN 0.550 nan 8.270 nan 0.000 0.549 587 P HA -0.120 nan 4.420 nan 0.000 0.223 587 P C 0.050 177.238 177.300 -0.187 0.000 1.151 587 P CA 1.101 64.092 63.100 -0.182 0.000 0.787 587 P CB 0.190 31.814 31.700 -0.126 0.000 0.788 588 D N -2.232 118.023 120.400 -0.242 0.000 2.289 588 D HA 0.071 4.711 4.640 -0.000 0.000 0.207 588 D C 1.581 177.702 176.300 -0.299 0.000 0.966 588 D CA 1.198 55.067 54.000 -0.218 0.000 0.868 588 D CB -0.748 39.934 40.800 -0.197 0.000 0.943 588 D HN 0.222 nan 8.370 nan 0.000 0.514 589 G N -0.904 107.606 108.800 -0.482 0.000 2.480 589 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.193 589 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.193 589 G C 0.702 175.129 174.900 -0.788 0.000 1.004 589 G CA -0.025 44.775 45.100 -0.499 0.000 0.696 589 G HN 0.732 nan 8.290 nan 0.000 0.478 590 G N -1.289 106.885 108.800 -1.043 0.000 2.535 590 G HA2 0.501 4.461 3.960 -0.000 0.000 0.282 590 G HA3 0.501 4.461 3.960 -0.000 0.000 0.282 590 G C -0.252 174.402 174.900 -0.410 0.000 1.350 590 G CA -0.302 44.421 45.100 -0.629 0.000 1.039 590 G HN 0.274 nan 8.290 nan 0.000 0.509 591 W N -1.422 119.975 121.300 0.162 0.000 3.031 591 W HA 0.350 5.010 4.660 -0.000 0.000 0.337 591 W C -1.081 175.473 176.519 0.059 0.000 1.187 591 W CA -0.472 56.911 57.345 0.063 0.000 1.166 591 W CB 2.235 31.729 29.460 0.058 0.000 1.437 591 W HN 0.362 nan 8.180 nan 0.000 0.551 592 D N 0.838 121.397 120.400 0.266 0.000 2.268 592 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 592 D C -0.906 175.482 176.300 0.148 0.000 1.008 592 D CA -0.218 53.877 54.000 0.158 0.000 0.939 592 D CB 2.213 43.067 40.800 0.090 0.000 1.170 592 D HN 0.311 nan 8.370 nan 0.000 0.468 593 E N 1.050 121.309 120.200 0.097 0.000 2.738 593 E HA 0.130 4.480 4.350 -0.000 0.000 0.347 593 E C -2.186 174.438 176.600 0.041 0.000 1.077 593 E CA -1.058 55.402 56.400 0.101 0.000 0.755 593 E CB 1.344 31.115 29.700 0.119 0.000 1.576 593 E HN 0.099 nan 8.360 nan 0.000 0.379 594 P HA -0.017 nan 4.420 nan 0.000 0.247 594 P C -0.649 176.399 177.300 -0.420 0.000 1.225 594 P CA 0.405 63.331 63.100 -0.291 0.000 0.768 594 P CB -0.140 31.285 31.700 -0.459 0.000 1.020 595 Y N -1.063 119.297 120.300 0.101 0.000 2.524 595 Y HA 0.389 4.938 4.550 -0.000 0.000 0.344 595 Y C 0.610 176.660 175.900 0.250 0.000 1.012 595 Y CA -1.477 56.683 58.100 0.099 0.000 1.068 595 Y CB 0.697 39.202 38.460 0.075 0.000 1.249 595 Y HN -0.202 nan 8.280 nan 0.000 0.468 596 Y N 0.876 121.331 120.300 0.258 0.000 2.335 596 Y HA 0.245 4.795 4.550 -0.000 0.000 0.331 596 Y C 1.086 177.096 175.900 0.183 0.000 1.094 596 Y CA -1.062 57.149 58.100 0.185 0.000 1.253 596 Y CB 0.989 39.541 38.460 0.154 0.000 1.203 596 Y HN 0.635 nan 8.280 nan 0.000 0.508 597 T N -0.987 113.797 114.554 0.384 0.000 3.339 597 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 597 T C 0.293 175.265 174.700 0.453 0.000 1.012 597 T CA -0.278 62.043 62.100 0.368 0.000 0.937 597 T CB -0.283 68.741 68.868 0.260 0.000 1.164 597 T HN 0.684 nan 8.240 nan 0.000 0.509 598 G N 0.349 109.383 108.800 0.390 0.000 2.482 598 G HA2 0.584 4.544 3.960 -0.000 0.000 0.317 598 G HA3 0.584 4.544 3.960 -0.000 0.000 0.317 598 G C -1.058 174.011 174.900 0.283 0.000 1.241 598 G CA -0.692 44.649 45.100 0.402 0.000 0.967 598 G HN 0.208 nan 8.290 nan 0.000 0.482 599 T N 0.895 115.552 114.554 0.172 0.000 2.792 599 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 599 T C 1.119 175.745 174.700 -0.123 0.000 0.990 599 T CA 0.177 62.238 62.100 -0.065 0.000 0.960 599 T CB 1.854 70.575 68.868 -0.244 0.000 0.939 599 T HN 0.643 nan 8.240 nan 0.000 0.439 600 G N 1.858 110.496 108.800 -0.269 0.000 2.557 600 G HA2 0.289 4.249 3.960 -0.000 0.000 0.213 600 G HA3 0.289 4.249 3.960 -0.000 0.000 0.213 600 G C -0.414 174.044 174.900 -0.737 0.000 1.221 600 G CA 0.221 45.102 45.100 -0.366 0.000 0.832 600 G HN 0.547 nan 8.290 nan 0.000 0.556 601 F N 1.146 120.832 119.950 -0.440 0.000 2.499 601 F HA 0.476 5.003 4.527 -0.000 0.000 0.333 601 F C -2.453 172.952 175.800 -0.659 0.000 1.138 601 F CA -3.429 54.248 58.000 -0.539 0.000 0.945 601 F CB 1.957 40.673 39.000 -0.472 0.000 1.181 601 F HN -0.118 nan 8.300 nan 0.000 0.435 602 P HA 0.093 nan 4.420 nan 0.000 0.255 602 P C 0.895 178.030 177.300 -0.274 0.000 1.161 602 P CA 1.618 64.415 63.100 -0.504 0.000 0.768 602 P CB 0.262 31.956 31.700 -0.010 0.000 0.746 603 G N 3.286 111.933 108.800 -0.255 0.000 2.212 603 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.266 603 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.266 603 G C 0.787 175.703 174.900 0.027 0.000 0.978 603 G CA 0.384 45.536 45.100 0.087 0.000 0.632 603 G HN 0.494 nan 8.290 nan 0.000 0.537 604 D N -1.688 118.579 120.400 -0.220 0.000 2.457 604 D HA 0.307 4.947 4.640 -0.000 0.000 0.254 604 D C -0.161 176.132 176.300 -0.012 0.000 1.097 604 D CA 0.228 54.110 54.000 -0.196 0.000 0.870 604 D CB 0.779 41.189 40.800 -0.650 0.000 1.253 604 D HN 0.277 nan 8.370 nan 0.000 0.500 605 F N 0.996 120.663 119.950 -0.472 0.000 2.588 605 F HA 0.346 4.873 4.527 -0.000 0.000 0.318 605 F C -1.681 173.748 175.800 -0.620 0.000 1.155 605 F CA -0.776 57.046 58.000 -0.296 0.000 0.967 605 F CB 1.253 40.108 39.000 -0.242 0.000 1.236 605 F HN -0.312 nan 8.300 nan 0.000 0.455 606 Y N 5.202 125.328 120.300 -0.291 0.000 2.524 606 Y HA 0.783 5.333 4.550 -0.000 0.000 0.344 606 Y C -0.851 174.904 175.900 -0.240 0.000 1.012 606 Y CA -1.069 56.956 58.100 -0.124 0.000 1.068 606 Y CB 1.946 40.449 38.460 0.072 0.000 1.249 606 Y HN 0.364 nan 8.280 nan 0.000 0.468 607 L N 1.294 122.482 121.223 -0.060 0.000 2.381 607 L HA 0.787 5.127 4.340 -0.000 0.000 0.268 607 L C 0.068 176.541 176.870 -0.662 0.000 0.997 607 L CA -1.072 53.499 54.840 -0.449 0.000 0.818 607 L CB 2.266 44.148 42.059 -0.295 0.000 1.310 607 L HN 0.842 nan 8.230 nan 0.000 0.416 608 G N 0.854 109.017 108.800 -1.062 0.000 2.468 608 G HA2 0.461 4.421 3.960 -0.000 0.000 0.320 608 G HA3 0.461 4.421 3.960 -0.000 0.000 0.320 608 G C -1.260 173.407 174.900 -0.389 0.000 1.137 608 G CA -0.178 44.533 45.100 -0.648 0.000 0.984 608 G HN 0.394 nan 8.290 nan 0.000 0.462 609 Y N 3.010 123.130 120.300 -0.301 0.000 2.650 609 Y HA 0.145 4.694 4.550 -0.000 0.000 0.343 609 Y C 2.151 177.942 175.900 -0.183 0.000 1.078 609 Y CA -0.157 57.721 58.100 -0.371 0.000 1.356 609 Y CB 0.823 38.617 38.460 -1.111 0.000 1.204 609 Y HN 0.596 nan 8.280 nan 0.000 0.508 610 T N 1.995 116.556 114.554 0.011 0.000 2.684 610 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 610 T C 1.991 176.757 174.700 0.111 0.000 1.032 610 T CA 1.703 63.839 62.100 0.060 0.000 1.155 610 T CB -0.068 68.823 68.868 0.039 0.000 0.857 610 T HN 0.546 nan 8.240 nan 0.000 0.457 611 M N -0.548 119.161 119.600 0.183 0.000 2.419 611 M HA 0.041 4.521 4.480 -0.000 0.000 0.264 611 M C 1.892 178.339 176.300 0.246 0.000 1.082 611 M CA 0.923 56.362 55.300 0.231 0.000 1.119 611 M CB -0.935 31.787 32.600 0.203 0.000 1.398 611 M HN 0.262 nan 8.290 nan 0.000 0.453 612 Y N 1.766 122.150 120.300 0.140 0.000 2.102 612 Y HA -0.280 4.269 4.550 -0.000 0.000 0.280 612 Y C 2.581 178.533 175.900 0.086 0.000 1.178 612 Y CA 1.885 60.127 58.100 0.238 0.000 1.146 612 Y CB -1.259 37.434 38.460 0.387 0.000 0.968 612 Y HN 0.402 nan 8.280 nan 0.000 0.504 613 R N -0.566 119.992 120.500 0.097 0.000 2.170 613 R HA -0.191 4.148 4.340 -0.000 0.000 0.242 613 R C 1.465 177.718 176.300 -0.079 0.000 1.145 613 R CA 2.018 58.064 56.100 -0.089 0.000 0.984 613 R CB -0.757 29.448 30.300 -0.158 0.000 0.869 613 R HN 0.412 nan 8.270 nan 0.000 0.455 614 H N 0.074 119.289 119.070 0.242 0.000 2.406 614 H HA 0.146 4.702 4.556 -0.000 0.000 0.304 614 H C 2.447 177.835 175.328 0.099 0.000 1.042 614 H CA 0.929 57.165 56.048 0.315 0.000 1.360 614 H CB -0.273 29.718 29.762 0.383 0.000 1.448 614 H HN 0.009 nan 8.280 nan 0.000 0.553 615 V N 1.389 121.342 119.914 0.066 0.000 2.237 615 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 615 V C 2.354 178.270 176.094 -0.297 0.000 1.046 615 V CA 1.828 63.998 62.300 -0.217 0.000 1.007 615 V CB -0.840 30.717 31.823 -0.443 0.000 0.638 615 V HN 0.100 nan 8.190 nan 0.000 0.445 616 F N 0.077 119.936 119.950 -0.153 0.000 2.102 616 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 616 F C 0.122 175.782 175.800 -0.234 0.000 1.105 616 F CA 1.721 59.609 58.000 -0.186 0.000 1.239 616 F CB -2.173 36.702 39.000 -0.210 0.000 0.991 616 F HN 0.276 nan 8.300 nan 0.000 0.474 617 P HA -0.100 nan 4.420 nan 0.000 0.217 617 P C 1.644 178.825 177.300 -0.197 0.000 1.150 617 P CA 2.044 64.900 63.100 -0.406 0.000 0.832 617 P CB -0.189 30.803 31.700 -1.180 0.000 0.787 618 T N 0.034 114.531 114.554 -0.095 0.000 2.720 618 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 618 T C 1.659 176.344 174.700 -0.024 0.000 1.037 618 T CA 1.127 63.242 62.100 0.026 0.000 1.144 618 T CB -0.893 68.002 68.868 0.045 0.000 0.864 618 T HN 0.016 nan 8.240 nan 0.000 0.444 619 L N 1.406 122.585 121.223 -0.073 0.000 2.027 619 L HA 0.174 4.514 4.340 -0.000 0.000 0.206 619 L C 2.600 179.468 176.870 -0.002 0.000 1.074 619 L CA 1.884 56.684 54.840 -0.066 0.000 0.745 619 L CB -1.103 40.894 42.059 -0.104 0.000 0.898 619 L HN 0.196 nan 8.230 nan 0.000 0.433 620 A N -0.311 122.519 122.820 0.016 0.000 1.902 620 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 620 A C 2.265 179.862 177.584 0.022 0.000 1.181 620 A CA 2.070 54.122 52.037 0.024 0.000 0.623 620 A CB -0.945 18.052 19.000 -0.006 0.000 0.818 620 A HN 0.521 nan 8.150 nan 0.000 0.443 621 L N -0.881 120.343 121.223 0.001 0.000 2.093 621 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 621 L C 2.825 179.709 176.870 0.024 0.000 1.085 621 L CA 1.018 55.858 54.840 0.001 0.000 0.755 621 L CB -0.888 41.198 42.059 0.045 0.000 0.904 621 L HN 0.500 nan 8.230 nan 0.000 0.435 622 G N -0.128 108.691 108.800 0.032 0.000 2.422 622 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 622 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 622 G C 1.779 176.694 174.900 0.026 0.000 1.146 622 G CA 0.359 45.478 45.100 0.032 0.000 0.769 622 G HN 0.288 nan 8.290 nan 0.000 0.547 623 R N -1.289 119.231 120.500 0.033 0.000 2.090 623 R HA 0.004 4.343 4.340 -0.000 0.000 0.228 623 R C 2.251 178.568 176.300 0.028 0.000 1.110 623 R CA 0.942 57.062 56.100 0.034 0.000 0.973 623 R CB -0.458 29.871 30.300 0.047 0.000 0.869 623 R HN 0.478 nan 8.270 nan 0.000 0.440 624 Y N 2.170 122.410 120.300 -0.101 0.000 2.114 624 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 624 Y C 2.416 178.204 175.900 -0.186 0.000 1.143 624 Y CA 1.768 59.777 58.100 -0.152 0.000 1.135 624 Y CB -0.099 38.219 38.460 -0.236 0.000 0.980 624 Y HN -0.148 nan 8.280 nan 0.000 0.499 625 K N -0.154 120.177 120.400 -0.116 0.000 2.113 625 K HA -0.301 4.019 4.320 -0.000 0.000 0.208 625 K C 2.055 178.621 176.600 -0.056 0.000 1.047 625 K CA 2.010 58.238 56.287 -0.098 0.000 0.928 625 K CB -0.175 32.351 32.500 0.043 0.000 0.716 625 K HN 0.367 nan 8.250 nan 0.000 0.446 626 Q N -0.133 119.637 119.800 -0.049 0.000 2.224 626 Q HA 0.038 4.378 4.340 -0.000 0.000 0.203 626 Q C 0.776 176.736 176.000 -0.066 0.000 0.970 626 Q CA 1.237 57.021 55.803 -0.032 0.000 0.865 626 Q CB 0.071 28.803 28.738 -0.011 0.000 0.922 626 Q HN 0.397 nan 8.270 nan 0.000 0.445 627 A N 0.009 122.749 122.820 -0.134 0.000 2.958 627 A HA 0.356 4.676 4.320 -0.000 0.000 0.247 627 A C -0.270 177.215 177.584 -0.165 0.000 1.679 627 A CA 0.287 52.230 52.037 -0.156 0.000 1.345 627 A CB -0.592 18.276 19.000 -0.220 0.000 1.013 627 A HN 0.268 nan 8.150 nan 0.000 0.641 628 I N 0.000 120.516 120.570 -0.090 0.000 2.984 628 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 628 I CA 0.000 61.271 61.300 -0.048 0.000 1.566 628 I CB 0.000 37.985 38.000 -0.026 0.000 1.214 628 I HN 0.000 nan 8.210 nan 0.000 0.494