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 2v69_1_A DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GCTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSACK WSPELAAACE DATA SEQUENCE VWKEIKFEF 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.617 177.584 0.056 0.000 1.274 11 A CA 0.000 52.056 52.037 0.032 0.000 0.836 11 A CB 0.000 19.016 19.000 0.026 0.000 0.831 12 G N -0.071 108.765 108.800 0.061 0.000 2.557 12 G HA2 0.595 4.555 3.960 -0.000 0.000 0.302 12 G HA3 0.595 4.555 3.960 -0.000 0.000 0.302 12 G C -0.423 174.576 174.900 0.165 0.000 1.311 12 G CA -0.775 44.384 45.100 0.098 0.000 1.030 12 G HN 1.109 nan 8.290 nan 0.000 0.509 13 F N 0.975 120.943 119.950 0.031 0.000 2.421 13 F HA 0.520 5.046 4.527 -0.000 0.000 0.358 13 F C 0.150 175.964 175.800 0.024 0.000 1.115 13 F CA -1.257 56.772 58.000 0.048 0.000 1.160 13 F CB 1.122 40.175 39.000 0.088 0.000 1.123 13 F HN 0.025 nan 8.300 nan 0.000 0.508 14 K N 6.433 126.635 120.400 -0.330 0.000 2.414 14 K HA 0.496 4.816 4.320 -0.000 0.000 0.251 14 K C -0.422 175.825 176.600 -0.588 0.000 1.037 14 K CA -0.386 55.631 56.287 -0.451 0.000 0.980 14 K CB 0.961 33.356 32.500 -0.175 0.000 1.280 14 K HN 0.829 nan 8.250 nan 0.000 0.451 15 A N 1.842 124.109 122.820 -0.923 0.000 2.547 15 A HA 0.457 4.777 4.320 -0.000 0.000 0.233 15 A C 0.639 178.095 177.584 -0.213 0.000 1.067 15 A CA 1.105 52.843 52.037 -0.499 0.000 0.763 15 A CB -0.198 18.586 19.000 -0.360 0.000 1.007 15 A HN 0.921 nan 8.150 nan 0.000 0.506 16 G N -1.020 107.709 108.800 -0.118 0.000 2.570 16 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 16 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 16 G C -0.634 174.213 174.900 -0.089 0.000 1.257 16 G CA -0.541 44.509 45.100 -0.084 0.000 0.846 16 G HN 1.571 nan 8.290 nan 0.000 0.627 17 V N 1.800 121.687 119.914 -0.046 0.000 2.715 17 V HA 0.584 4.703 4.120 -0.000 0.000 0.299 17 V C 0.885 176.950 176.094 -0.047 0.000 1.054 17 V CA 1.149 63.428 62.300 -0.035 0.000 1.077 17 V CB 1.121 32.992 31.823 0.080 0.000 0.972 17 V HN 1.147 nan 8.190 nan 0.000 0.484 18 K N 1.605 121.955 120.400 -0.084 0.000 2.466 18 K HA 0.562 4.882 4.320 -0.000 0.000 0.277 18 K C -1.525 175.002 176.600 -0.122 0.000 1.039 18 K CA -1.078 55.166 56.287 -0.072 0.000 0.904 18 K CB 1.497 33.969 32.500 -0.048 0.000 1.506 18 K HN 0.331 nan 8.250 nan 0.000 0.441 19 D N 0.594 120.953 120.400 -0.068 0.000 2.382 19 D HA 0.105 4.745 4.640 -0.000 0.000 0.245 19 D C 0.515 176.805 176.300 -0.018 0.000 1.120 19 D CA 0.038 54.006 54.000 -0.054 0.000 0.890 19 D CB 0.284 41.089 40.800 0.008 0.000 1.201 19 D HN 0.422 nan 8.370 nan 0.000 0.433 20 Y N 1.310 121.668 120.300 0.095 0.000 2.242 20 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 20 Y C 2.339 178.353 175.900 0.190 0.000 1.137 20 Y CA 1.116 59.315 58.100 0.164 0.000 1.181 20 Y CB -0.285 38.211 38.460 0.060 0.000 0.989 20 Y HN 0.450 nan 8.280 nan 0.000 0.527 21 R N 0.435 121.086 120.500 0.252 0.000 2.170 21 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 21 R C 1.773 178.187 176.300 0.189 0.000 1.145 21 R CA 1.832 58.055 56.100 0.204 0.000 0.984 21 R CB -1.235 29.111 30.300 0.077 0.000 0.869 21 R HN 0.338 nan 8.270 nan 0.000 0.455 22 L N 0.767 122.067 121.223 0.127 0.000 2.079 22 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 22 L C 1.776 178.661 176.870 0.024 0.000 1.081 22 L CA 1.856 56.738 54.840 0.069 0.000 0.752 22 L CB -0.427 41.654 42.059 0.037 0.000 0.896 22 L HN 0.357 nan 8.230 nan 0.000 0.433 23 T N -3.188 111.369 114.554 0.006 0.000 3.018 23 T HA 0.034 4.384 4.350 -0.000 0.000 0.246 23 T C 1.061 175.544 174.700 -0.363 0.000 1.026 23 T CA 0.348 62.305 62.100 -0.238 0.000 1.081 23 T CB 0.068 68.686 68.868 -0.416 0.000 0.970 23 T HN 0.148 nan 8.240 nan 0.000 0.475 24 Y N -0.346 120.001 120.300 0.078 0.000 2.467 24 Y HA 0.417 4.967 4.550 -0.000 0.000 0.250 24 Y C 0.033 175.984 175.900 0.084 0.000 1.155 24 Y CA -1.275 56.851 58.100 0.043 0.000 1.249 24 Y CB 0.401 38.879 38.460 0.030 0.000 1.146 24 Y HN 0.171 nan 8.280 nan 0.000 0.524 25 Y N 2.164 122.514 120.300 0.082 0.000 2.385 25 Y HA 0.444 4.994 4.550 -0.000 0.000 0.341 25 Y C -0.125 175.794 175.900 0.032 0.000 0.965 25 Y CA -1.383 56.745 58.100 0.048 0.000 1.180 25 Y CB 0.792 39.276 38.460 0.038 0.000 1.139 25 Y HN 0.032 nan 8.280 nan 0.000 0.502 26 T N 5.583 119.922 114.554 -0.359 0.000 3.305 26 T HA 0.264 4.614 4.350 -0.000 0.000 0.348 26 T C -2.478 172.056 174.700 -0.278 0.000 1.394 26 T CA -1.658 60.270 62.100 -0.286 0.000 1.549 26 T CB 1.127 69.916 68.868 -0.131 0.000 0.962 26 T HN 0.452 nan 8.240 nan 0.000 0.609 27 P HA 0.087 nan 4.420 nan 0.000 0.237 27 P C 0.289 177.556 177.300 -0.055 0.000 1.178 27 P CA 0.585 63.514 63.100 -0.285 0.000 0.766 27 P CB 0.263 31.753 31.700 -0.350 0.000 0.876 28 D N -1.776 118.599 120.400 -0.042 0.000 2.349 28 D HA -0.004 4.635 4.640 -0.000 0.000 0.214 28 D C 0.311 176.638 176.300 0.045 0.000 1.063 28 D CA -0.217 53.785 54.000 0.003 0.000 0.847 28 D CB -0.350 40.444 40.800 -0.011 0.000 0.933 28 D HN 0.184 nan 8.370 nan 0.000 0.513 29 Y N 1.968 122.235 120.300 -0.055 0.000 2.526 29 Y HA 0.107 4.657 4.550 -0.000 0.000 0.330 29 Y C -0.101 175.742 175.900 -0.095 0.000 1.156 29 Y CA -0.418 57.638 58.100 -0.073 0.000 1.419 29 Y CB 0.601 39.014 38.460 -0.078 0.000 1.250 29 Y HN -0.335 nan 8.280 nan 0.000 0.540 30 V N 8.512 128.023 119.914 -0.670 0.000 2.368 30 V HA 0.168 4.288 4.120 -0.000 0.000 0.266 30 V C -0.023 175.436 176.094 -1.059 0.000 1.045 30 V CA -0.833 61.087 62.300 -0.633 0.000 0.899 30 V CB 0.153 31.751 31.823 -0.376 0.000 1.006 30 V HN 0.725 nan 8.190 nan 0.000 0.470 31 V N 4.132 123.572 119.914 -0.790 0.000 2.788 31 V HA 0.281 4.401 4.120 -0.000 0.000 0.307 31 V C 0.539 176.418 176.094 -0.359 0.000 1.069 31 V CA -0.371 61.575 62.300 -0.589 0.000 1.173 31 V CB -0.075 31.499 31.823 -0.414 0.000 0.925 31 V HN 0.869 nan 8.190 nan 0.000 0.492 32 R N 2.881 123.253 120.500 -0.213 0.000 2.500 32 R HA 0.345 4.685 4.340 -0.000 0.000 0.277 32 R C 0.261 176.520 176.300 -0.069 0.000 1.026 32 R CA -0.655 55.376 56.100 -0.115 0.000 1.058 32 R CB 0.600 30.874 30.300 -0.043 0.000 1.078 32 R HN 0.727 nan 8.270 nan 0.000 0.509 33 D N 0.704 121.074 120.400 -0.050 0.000 2.309 33 D HA -0.106 4.534 4.640 -0.000 0.000 0.212 33 D C 1.404 177.693 176.300 -0.018 0.000 0.968 33 D CA 1.565 55.546 54.000 -0.031 0.000 0.882 33 D CB 0.134 40.924 40.800 -0.017 0.000 0.918 33 D HN 0.661 nan 8.370 nan 0.000 0.503 34 T N -3.224 111.328 114.554 -0.004 0.000 3.023 34 T HA 0.070 4.420 4.350 -0.000 0.000 0.253 34 T C 0.458 175.172 174.700 0.022 0.000 1.038 34 T CA -0.570 61.541 62.100 0.018 0.000 0.962 34 T CB 0.481 69.374 68.868 0.040 0.000 1.018 34 T HN -0.245 nan 8.240 nan 0.000 0.521 35 D N 1.741 122.152 120.400 0.018 0.000 2.414 35 D HA 0.338 4.977 4.640 -0.000 0.000 0.242 35 D C -0.195 176.103 176.300 -0.003 0.000 1.129 35 D CA -0.365 53.665 54.000 0.051 0.000 0.885 35 D CB 0.728 41.564 40.800 0.060 0.000 1.198 35 D HN 0.198 nan 8.370 nan 0.000 0.437 36 I N 2.102 122.692 120.570 0.034 0.000 2.395 36 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 36 I C -0.012 176.140 176.117 0.059 0.000 1.023 36 I CA -0.123 61.130 61.300 -0.078 0.000 1.350 36 I CB 0.578 38.403 38.000 -0.291 0.000 1.409 36 I HN 0.058 nan 8.210 nan 0.000 0.507 37 L N 6.327 127.455 121.223 -0.158 0.000 2.322 37 L HA 0.848 5.188 4.340 -0.000 0.000 0.281 37 L C -0.089 176.639 176.870 -0.238 0.000 1.014 37 L CA -0.756 53.998 54.840 -0.145 0.000 0.815 37 L CB 1.512 43.346 42.059 -0.375 0.000 1.247 37 L HN 0.645 nan 8.230 nan 0.000 0.421 38 A N 2.325 125.228 122.820 0.139 0.000 2.350 38 A HA 0.879 5.198 4.320 -0.000 0.000 0.324 38 A C -0.438 177.205 177.584 0.098 0.000 1.118 38 A CA -0.543 51.516 52.037 0.035 0.000 0.783 38 A CB 1.626 20.659 19.000 0.056 0.000 1.236 38 A HN 0.769 nan 8.150 nan 0.000 0.457 39 A N 2.046 124.798 122.820 -0.112 0.000 2.316 39 A HA 0.679 4.999 4.320 -0.000 0.000 0.324 39 A C -0.998 176.244 177.584 -0.569 0.000 1.375 39 A CA -0.311 51.462 52.037 -0.438 0.000 0.882 39 A CB -0.330 18.271 19.000 -0.666 0.000 1.152 39 A HN 0.595 nan 8.150 nan 0.000 0.512 40 F N 1.099 120.865 119.950 -0.307 0.000 2.404 40 F HA 0.444 4.971 4.527 -0.001 0.000 0.339 40 F C 1.153 176.815 175.800 -0.231 0.000 1.105 40 F CA -0.255 57.600 58.000 -0.240 0.000 1.087 40 F CB 1.432 40.303 39.000 -0.214 0.000 1.143 40 F HN 0.554 nan 8.300 nan 0.000 0.491 41 R N 5.041 125.546 120.500 0.008 0.000 2.408 41 R HA 0.315 4.655 4.340 -0.000 0.000 0.308 41 R C -0.591 175.737 176.300 0.047 0.000 1.210 41 R CA -0.318 55.792 56.100 0.017 0.000 1.115 41 R CB 0.264 30.573 30.300 0.014 0.000 1.127 41 R HN 0.792 nan 8.270 nan 0.000 0.523 42 M N 2.675 122.310 119.600 0.057 0.000 2.249 42 M HA 0.185 4.665 4.480 -0.000 0.000 0.351 42 M C -0.807 175.553 176.300 0.100 0.000 1.180 42 M CA 0.423 55.742 55.300 0.031 0.000 1.127 42 M CB 1.506 34.104 32.600 -0.003 0.000 1.546 42 M HN 0.339 nan 8.290 nan 0.000 0.461 43 T N 5.890 120.483 114.554 0.067 0.000 3.133 43 T HA 0.409 4.759 4.350 -0.000 0.000 0.368 43 T C -2.615 172.123 174.700 0.063 0.000 1.190 43 T CA -1.015 61.142 62.100 0.094 0.000 1.282 43 T CB 0.719 69.633 68.868 0.076 0.000 1.042 43 T HN 0.425 nan 8.240 nan 0.000 0.536 44 P HA 0.153 nan 4.420 nan 0.000 0.272 44 P C 0.065 177.384 177.300 0.033 0.000 1.230 44 P CA -0.576 62.535 63.100 0.017 0.000 0.788 44 P CB 0.554 32.241 31.700 -0.022 0.000 0.949 45 Q N 1.983 121.796 119.800 0.022 0.000 2.395 45 Q HA 0.106 4.446 4.340 -0.000 0.000 0.271 45 Q C -1.881 174.133 176.000 0.024 0.000 1.026 45 Q CA -1.320 54.497 55.803 0.024 0.000 0.900 45 Q CB -0.765 27.986 28.738 0.023 0.000 1.266 45 Q HN 0.363 nan 8.270 nan 0.000 0.430 46 P HA -0.094 nan 4.420 nan 0.000 0.260 46 P C 0.545 177.855 177.300 0.017 0.000 1.172 46 P CA 1.117 64.232 63.100 0.025 0.000 0.760 46 P CB 0.173 31.885 31.700 0.020 0.000 0.773 47 G N 1.759 110.568 108.800 0.016 0.000 2.176 47 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 47 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 47 G C -0.045 174.853 174.900 -0.003 0.000 0.979 47 G CA -0.133 44.971 45.100 0.007 0.000 0.641 47 G HN 0.539 nan 8.290 nan 0.000 0.530 48 V N 3.425 123.335 119.914 -0.008 0.000 2.348 48 V HA 0.409 4.528 4.120 -0.000 0.000 0.270 48 V C -1.387 174.666 176.094 -0.068 0.000 1.037 48 V CA -1.500 60.785 62.300 -0.025 0.000 0.872 48 V CB 1.298 33.113 31.823 -0.014 0.000 1.002 48 V HN 0.231 nan 8.190 nan 0.000 0.464 49 P HA 0.128 nan 4.420 nan 0.000 0.263 49 P C -2.047 175.107 177.300 -0.243 0.000 1.195 49 P CA -1.252 61.762 63.100 -0.143 0.000 0.762 49 P CB 0.530 32.157 31.700 -0.122 0.000 0.799 50 P HA -0.249 nan 4.420 nan 0.000 0.219 50 P C 1.192 178.223 177.300 -0.449 0.000 1.158 50 P CA 1.762 64.508 63.100 -0.590 0.000 0.895 50 P CB 0.041 31.134 31.700 -1.012 0.000 0.792 51 E N -0.461 119.457 120.200 -0.470 0.000 2.118 51 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 51 E C 2.080 178.421 176.600 -0.432 0.000 0.992 51 E CA 1.439 57.427 56.400 -0.687 0.000 0.804 51 E CB -0.748 28.395 29.700 -0.927 0.000 0.741 51 E HN 0.375 nan 8.360 nan 0.000 0.458 52 E N -0.038 120.005 120.200 -0.261 0.000 2.107 52 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 52 E C 1.877 178.413 176.600 -0.107 0.000 0.982 52 E CA 0.974 57.310 56.400 -0.107 0.000 0.809 52 E CB -0.553 29.120 29.700 -0.044 0.000 0.756 52 E HN 0.292 nan 8.360 nan 0.000 0.459 53 C N -0.121 119.075 119.300 -0.173 0.000 2.432 53 C HA 0.050 4.510 4.460 -0.000 0.000 0.277 53 C C 2.700 177.525 174.990 -0.275 0.000 1.249 53 C CA 1.414 60.308 59.018 -0.207 0.000 1.725 53 C CB -1.433 26.186 27.740 -0.200 0.000 2.028 53 C HN 0.666 nan 8.230 nan 0.000 0.477 54 G N -0.169 108.484 108.800 -0.246 0.000 2.442 54 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.219 54 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.219 54 G C 1.884 176.674 174.900 -0.183 0.000 1.141 54 G CA 1.116 46.093 45.100 -0.206 0.000 0.763 54 G HN 0.727 nan 8.290 nan 0.000 0.554 55 A N 0.763 123.512 122.820 -0.119 0.000 2.016 55 A HA 0.470 4.790 4.320 -0.000 0.000 0.217 55 A C 2.742 180.141 177.584 -0.309 0.000 1.162 55 A CA 1.755 53.773 52.037 -0.032 0.000 0.662 55 A CB -0.508 18.592 19.000 0.166 0.000 0.812 55 A HN 0.662 nan 8.150 nan 0.000 0.450 56 A N -0.282 122.239 122.820 -0.498 0.000 1.858 56 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 56 A C 2.204 179.192 177.584 -0.993 0.000 1.190 56 A CA 1.778 53.163 52.037 -1.086 0.000 0.617 56 A CB -1.049 17.452 19.000 -0.832 0.000 0.827 56 A HN 0.351 nan 8.150 nan 0.000 0.443 57 V N -0.002 119.463 119.914 -0.750 0.000 2.252 57 V HA -0.310 3.809 4.120 -0.000 0.000 0.249 57 V C 3.085 178.867 176.094 -0.521 0.000 1.056 57 V CA 2.203 64.079 62.300 -0.708 0.000 1.022 57 V CB -1.280 30.069 31.823 -0.791 0.000 0.641 57 V HN 0.635 nan 8.190 nan 0.000 0.445 58 A N -0.407 122.170 122.820 -0.405 0.000 1.940 58 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 58 A C 2.374 179.746 177.584 -0.355 0.000 1.176 58 A CA 2.235 54.110 52.037 -0.270 0.000 0.631 58 A CB -0.690 18.227 19.000 -0.138 0.000 0.814 58 A HN 0.599 nan 8.150 nan 0.000 0.446 59 A N -0.651 121.750 122.820 -0.698 0.000 1.854 59 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 59 A C 1.821 179.051 177.584 -0.590 0.000 1.192 59 A CA 1.349 52.693 52.037 -1.155 0.000 0.611 59 A CB -0.310 17.795 19.000 -1.492 0.000 0.832 59 A HN 0.435 nan 8.150 nan 0.000 0.442 60 E N 0.405 120.289 120.200 -0.526 0.000 2.489 60 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 60 E C 1.060 177.587 176.600 -0.123 0.000 1.057 60 E CA 0.767 57.007 56.400 -0.266 0.000 0.866 60 E CB 0.018 29.536 29.700 -0.302 0.000 0.916 60 E HN 0.674 nan 8.360 nan 0.000 0.500 61 S N -1.021 114.616 115.700 -0.105 0.000 2.593 61 S HA 0.153 4.623 4.470 -0.000 0.000 0.236 61 S C 1.205 175.876 174.600 0.119 0.000 0.991 61 S CA 0.223 58.454 58.200 0.051 0.000 0.963 61 S CB 0.332 63.627 63.200 0.158 0.000 0.865 61 S HN 0.128 nan 8.310 nan 0.000 0.488 62 S N 1.245 116.970 115.700 0.042 0.000 5.058 62 S HA 0.163 4.633 4.470 -0.000 0.000 0.145 62 S C 1.279 175.891 174.600 0.019 0.000 1.005 62 S CA 0.583 58.825 58.200 0.069 0.000 1.316 62 S CB -0.236 63.063 63.200 0.165 0.000 2.001 62 S HN 0.544 nan 8.310 nan 0.000 0.729 63 T N -0.770 113.813 114.554 0.048 0.000 2.975 63 T HA 0.487 4.836 4.350 -0.000 0.000 0.261 63 T C 0.773 175.520 174.700 0.080 0.000 0.984 63 T CA 0.414 62.562 62.100 0.080 0.000 0.911 63 T CB 0.221 69.194 68.868 0.174 0.000 1.127 63 T HN 0.773 nan 8.240 nan 0.000 0.514 64 G N 0.453 109.247 108.800 -0.010 0.000 2.389 64 G HA2 0.547 4.507 3.960 -0.000 0.000 0.328 64 G HA3 0.547 4.507 3.960 -0.000 0.000 0.328 64 G C -0.750 174.193 174.900 0.071 0.000 1.133 64 G CA -0.286 44.833 45.100 0.031 0.000 0.891 64 G HN 0.230 nan 8.290 nan 0.000 0.485 65 T N -0.030 114.609 114.554 0.140 0.000 2.768 65 T HA 0.425 4.775 4.350 -0.000 0.000 0.268 65 T C 1.090 175.963 174.700 0.289 0.000 0.969 65 T CA -0.576 61.650 62.100 0.210 0.000 1.008 65 T CB 0.726 69.657 68.868 0.105 0.000 1.371 65 T HN 0.659 nan 8.240 nan 0.000 0.587 66 W N 0.536 121.959 121.300 0.205 0.000 2.584 66 W HA 0.233 4.893 4.660 -0.000 0.000 0.264 66 W C 0.496 177.018 176.519 0.005 0.000 1.264 66 W CA 0.622 58.055 57.345 0.147 0.000 1.306 66 W CB -1.063 28.483 29.460 0.143 0.000 1.110 66 W HN 0.558 nan 8.180 nan 0.000 0.606 67 T N 1.034 115.100 114.554 -0.813 0.000 2.907 67 T HA 0.391 4.740 4.350 -0.000 0.000 0.290 67 T C -0.392 174.088 174.700 -0.366 0.000 1.066 67 T CA -0.308 61.374 62.100 -0.697 0.000 1.012 67 T CB 1.945 70.079 68.868 -1.222 0.000 1.184 67 T HN -0.183 nan 8.240 nan 0.000 0.522 68 T N 2.547 117.000 114.554 -0.169 0.000 2.814 68 T HA 0.476 4.826 4.350 -0.000 0.000 0.297 68 T C 0.184 174.959 174.700 0.124 0.000 0.956 68 T CA -0.431 61.678 62.100 0.015 0.000 1.123 68 T CB 0.306 69.228 68.868 0.090 0.000 0.902 68 T HN 0.700 nan 8.240 nan 0.000 0.528 69 V N 3.025 122.962 119.914 0.038 0.000 2.630 69 V HA 0.511 4.631 4.120 -0.000 0.000 0.305 69 V C 1.110 177.059 176.094 -0.241 0.000 1.046 69 V CA -1.083 61.155 62.300 -0.104 0.000 0.934 69 V CB 1.287 32.962 31.823 -0.245 0.000 1.003 69 V HN 1.050 nan 8.190 nan 0.000 0.451 70 W N 2.198 123.065 121.300 -0.722 0.000 2.584 70 W HA -0.038 4.622 4.660 -0.000 0.000 0.264 70 W C 1.365 177.627 176.519 -0.429 0.000 1.264 70 W CA 1.111 57.831 57.345 -1.043 0.000 1.306 70 W CB -1.564 26.943 29.460 -1.587 0.000 1.110 70 W HN 0.730 nan 8.180 nan 0.000 0.606 71 T N -0.981 112.999 114.554 -0.957 0.000 3.007 71 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 71 T C 1.090 175.583 174.700 -0.345 0.000 1.107 71 T CA 1.433 63.004 62.100 -0.881 0.000 1.118 71 T CB -0.574 67.665 68.868 -1.048 0.000 0.889 71 T HN -0.116 nan 8.240 nan 0.000 0.506 72 D N 2.144 122.408 120.400 -0.227 0.000 2.172 72 D HA -0.082 4.557 4.640 -0.000 0.000 0.196 72 D C 2.335 178.620 176.300 -0.025 0.000 0.999 72 D CA 1.551 55.501 54.000 -0.083 0.000 0.856 72 D CB -0.910 39.876 40.800 -0.024 0.000 0.934 72 D HN 0.592 nan 8.370 nan 0.000 0.453 73 G N 0.019 108.822 108.800 0.006 0.000 2.471 73 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.219 73 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.219 73 G C 1.667 176.594 174.900 0.046 0.000 1.125 73 G CA 0.105 45.235 45.100 0.051 0.000 0.775 73 G HN 0.286 nan 8.290 nan 0.000 0.548 74 L N -0.193 121.045 121.223 0.026 0.000 2.291 74 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 74 L C 1.754 178.638 176.870 0.023 0.000 1.120 74 L CA 0.610 55.467 54.840 0.028 0.000 0.799 74 L CB -0.117 41.941 42.059 -0.002 0.000 0.925 74 L HN 0.216 nan 8.230 nan 0.000 0.446 75 T N -2.384 112.184 114.554 0.022 0.000 2.807 75 T HA 0.274 4.624 4.350 -0.000 0.000 0.277 75 T C -0.249 174.503 174.700 0.087 0.000 1.006 75 T CA -0.521 61.624 62.100 0.075 0.000 1.006 75 T CB 1.903 70.819 68.868 0.080 0.000 1.274 75 T HN -0.118 nan 8.240 nan 0.000 0.569 76 S N 2.133 117.913 115.700 0.134 0.000 2.567 76 S HA 0.279 4.749 4.470 -0.000 0.000 0.262 76 S C 1.184 175.812 174.600 0.047 0.000 1.237 76 S CA -0.717 57.508 58.200 0.042 0.000 1.093 76 S CB -0.238 62.939 63.200 -0.038 0.000 1.095 76 S HN 0.591 nan 8.310 nan 0.000 0.489 77 L N 4.075 125.326 121.223 0.046 0.000 2.137 77 L HA -0.105 4.234 4.340 -0.000 0.000 0.213 77 L C 1.715 178.559 176.870 -0.044 0.000 1.085 77 L CA 1.961 56.819 54.840 0.030 0.000 0.760 77 L CB -0.587 41.459 42.059 -0.021 0.000 0.893 77 L HN 0.573 nan 8.230 nan 0.000 0.434 78 D N -1.093 119.257 120.400 -0.083 0.000 2.104 78 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 78 D C 2.335 178.543 176.300 -0.154 0.000 0.994 78 D CA 1.301 55.231 54.000 -0.117 0.000 0.830 78 D CB -0.124 40.620 40.800 -0.094 0.000 0.959 78 D HN 0.318 nan 8.370 nan 0.000 0.452 79 R N -0.865 119.495 120.500 -0.234 0.000 2.092 79 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 79 R C 1.441 177.482 176.300 -0.431 0.000 1.119 79 R CA 1.199 57.046 56.100 -0.421 0.000 0.970 79 R CB -0.038 29.823 30.300 -0.732 0.000 0.864 79 R HN 0.250 nan 8.270 nan 0.000 0.440 80 Y N 0.348 120.626 120.300 -0.036 0.000 2.462 80 Y HA 0.155 4.705 4.550 -0.000 0.000 0.253 80 Y C 0.104 175.994 175.900 -0.017 0.000 1.095 80 Y CA -0.273 57.809 58.100 -0.030 0.000 1.283 80 Y CB 0.192 38.633 38.460 -0.032 0.000 1.138 80 Y HN -0.035 nan 8.280 nan 0.000 0.522 81 K N 1.044 121.500 120.400 0.093 0.000 2.382 81 K HA 0.364 4.683 4.320 -0.000 0.000 0.275 81 K C 0.635 177.268 176.600 0.056 0.000 1.009 81 K CA -0.028 56.330 56.287 0.119 0.000 0.970 81 K CB 0.646 33.153 32.500 0.011 0.000 0.934 81 K HN 0.123 nan 8.250 nan 0.000 0.479 82 G N 2.622 111.492 108.800 0.115 0.000 2.491 82 G HA2 0.171 4.131 3.960 -0.000 0.000 0.242 82 G HA3 0.171 4.131 3.960 -0.000 0.000 0.242 82 G C -0.759 174.114 174.900 -0.044 0.000 1.266 82 G CA -0.831 44.223 45.100 -0.077 0.000 0.844 82 G HN 0.646 nan 8.290 nan 0.000 0.571 83 R N 0.829 121.220 120.500 -0.182 0.000 2.483 83 R HA 0.263 4.602 4.340 -0.000 0.000 0.303 83 R C -0.930 175.393 176.300 0.040 0.000 0.987 83 R CA -0.645 55.389 56.100 -0.110 0.000 0.881 83 R CB 1.713 31.793 30.300 -0.368 0.000 1.177 83 R HN 0.527 nan 8.270 nan 0.000 0.451 84 C N 4.886 124.239 119.300 0.089 0.000 2.555 84 C HA 0.196 4.656 4.460 -0.000 0.000 0.385 84 C C 0.811 175.901 174.990 0.166 0.000 1.296 84 C CA -0.265 58.844 59.018 0.150 0.000 1.757 84 C CB -1.077 26.774 27.740 0.185 0.000 2.445 84 C HN 0.983 nan 8.230 nan 0.000 0.571 85 Y N 2.230 122.593 120.300 0.107 0.000 2.588 85 Y HA 0.544 5.094 4.550 -0.000 0.000 0.247 85 Y C 0.071 176.012 175.900 0.069 0.000 1.157 85 Y CA -0.668 57.461 58.100 0.048 0.000 1.215 85 Y CB 0.031 38.585 38.460 0.156 0.000 1.245 85 Y HN 0.566 nan 8.280 nan 0.000 0.534 86 D N 0.912 121.202 120.400 -0.183 0.000 2.721 86 D HA 0.355 4.995 4.640 -0.000 0.000 0.221 86 D C -1.723 174.649 176.300 0.119 0.000 1.208 86 D CA -0.272 53.673 54.000 -0.093 0.000 0.755 86 D CB 2.060 42.635 40.800 -0.375 0.000 1.732 86 D HN 0.216 nan 8.370 nan 0.000 0.490 87 I N 2.381 123.056 120.570 0.175 0.000 2.500 87 I HA 0.240 4.410 4.170 -0.000 0.000 0.286 87 I C -0.168 176.086 176.117 0.228 0.000 1.063 87 I CA -0.612 60.821 61.300 0.222 0.000 1.062 87 I CB 2.066 40.153 38.000 0.145 0.000 1.223 87 I HN 0.098 nan 8.210 nan 0.000 0.435 88 E N 7.221 127.588 120.200 0.277 0.000 2.216 88 E HA 0.389 4.739 4.350 -0.000 0.000 0.279 88 E C -2.442 174.284 176.600 0.211 0.000 0.997 88 E CA -1.761 54.767 56.400 0.215 0.000 0.817 88 E CB 1.354 31.184 29.700 0.216 0.000 1.096 88 E HN 0.255 nan 8.360 nan 0.000 0.393 89 P HA 0.078 nan 4.420 nan 0.000 0.281 89 P C -0.838 176.414 177.300 -0.081 0.000 1.249 89 P CA -0.477 62.582 63.100 -0.068 0.000 0.810 89 P CB 0.719 32.373 31.700 -0.076 0.000 1.008 90 V N 4.338 124.149 119.914 -0.171 0.000 2.406 90 V HA 0.233 4.352 4.120 -0.000 0.000 0.272 90 V C -1.825 174.219 176.094 -0.083 0.000 1.043 90 V CA -1.738 60.510 62.300 -0.086 0.000 0.915 90 V CB 0.533 32.314 31.823 -0.069 0.000 0.988 90 V HN 0.588 nan 8.190 nan 0.000 0.466 91 P HA 0.125 nan 4.420 nan 0.000 0.264 91 P C 0.831 178.111 177.300 -0.034 0.000 1.193 91 P CA 0.980 64.058 63.100 -0.037 0.000 0.763 91 P CB 0.758 32.444 31.700 -0.023 0.000 0.810 92 G N 1.338 110.117 108.800 -0.034 0.000 2.147 92 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 92 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 92 G C -0.204 174.676 174.900 -0.033 0.000 1.005 92 G CA -0.189 44.896 45.100 -0.026 0.000 0.713 92 G HN 0.594 nan 8.290 nan 0.000 0.515 93 E N -0.101 120.064 120.200 -0.058 0.000 2.274 93 E HA 0.244 4.594 4.350 -0.000 0.000 0.269 93 E C 0.232 176.766 176.600 -0.108 0.000 0.891 93 E CA -0.658 55.697 56.400 -0.074 0.000 0.784 93 E CB 1.257 30.906 29.700 -0.085 0.000 1.225 93 E HN 0.160 nan 8.360 nan 0.000 0.412 94 D N 1.190 121.546 120.400 -0.073 0.000 2.077 94 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 94 D C 0.608 176.852 176.300 -0.094 0.000 0.986 94 D CA 1.093 55.054 54.000 -0.064 0.000 0.829 94 D CB 0.339 41.126 40.800 -0.022 0.000 0.983 94 D HN 0.184 nan 8.370 nan 0.000 0.453 95 N N 0.328 118.990 118.700 -0.063 0.000 2.660 95 N HA 0.094 4.834 4.740 -0.000 0.000 0.316 95 N C -1.456 174.050 175.510 -0.008 0.000 1.774 95 N CA -0.040 53.013 53.050 0.006 0.000 0.946 95 N CB 0.327 38.855 38.487 0.069 0.000 1.322 95 N HN 0.035 nan 8.380 nan 0.000 0.492 96 Q N 0.897 120.555 119.800 -0.235 0.000 2.289 96 Q HA 0.342 4.682 4.340 -0.000 0.000 0.270 96 Q C -1.680 174.101 176.000 -0.367 0.000 1.038 96 Q CA -0.617 55.108 55.803 -0.130 0.000 0.812 96 Q CB 1.525 30.224 28.738 -0.065 0.000 1.300 96 Q HN 0.227 nan 8.270 nan 0.000 0.427 97 Y N 1.564 121.869 120.300 0.007 0.000 2.576 97 Y HA 0.504 5.054 4.550 -0.000 0.000 0.346 97 Y C -0.276 175.628 175.900 0.006 0.000 1.018 97 Y CA -1.136 56.972 58.100 0.013 0.000 1.050 97 Y CB 1.413 39.874 38.460 0.003 0.000 1.280 97 Y HN 0.445 nan 8.280 nan 0.000 0.474 98 I N 2.479 123.154 120.570 0.175 0.000 2.307 98 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 98 I C 0.078 176.214 176.117 0.030 0.000 1.021 98 I CA -0.814 60.511 61.300 0.041 0.000 1.224 98 I CB 0.326 38.345 38.000 0.033 0.000 1.376 98 I HN 0.691 nan 8.210 nan 0.000 0.470 99 A N 7.291 130.096 122.820 -0.025 0.000 2.290 99 A HA 0.639 4.959 4.320 -0.000 0.000 0.310 99 A C -1.242 176.298 177.584 -0.073 0.000 1.202 99 A CA -0.326 51.721 52.037 0.017 0.000 0.837 99 A CB 0.345 19.343 19.000 -0.003 0.000 1.139 99 A HN 0.520 nan 8.150 nan 0.000 0.509 100 Y N 1.554 121.813 120.300 -0.068 0.000 2.331 100 Y HA 0.475 5.025 4.550 -0.000 0.000 0.338 100 Y C 0.050 175.890 175.900 -0.102 0.000 0.976 100 Y CA -0.403 57.608 58.100 -0.149 0.000 1.137 100 Y CB 1.858 39.946 38.460 -0.620 0.000 1.172 100 Y HN 0.402 nan 8.280 nan 0.000 0.478 101 V N 3.073 123.178 119.914 0.319 0.000 2.555 101 V HA 0.817 4.937 4.120 -0.000 0.000 0.302 101 V C -0.263 175.990 176.094 0.265 0.000 1.038 101 V CA -1.064 61.367 62.300 0.219 0.000 0.887 101 V CB 1.581 33.407 31.823 0.006 0.000 0.991 101 V HN 0.836 nan 8.190 nan 0.000 0.434 102 A N 4.169 127.069 122.820 0.133 0.000 2.303 102 A HA 0.876 5.196 4.320 -0.000 0.000 0.320 102 A C -1.251 176.219 177.584 -0.190 0.000 1.192 102 A CA -0.368 51.688 52.037 0.031 0.000 0.821 102 A CB 0.569 19.583 19.000 0.024 0.000 1.188 102 A HN 0.729 nan 8.150 nan 0.000 0.492 106 D N 1.813 122.304 120.400 0.153 0.000 2.315 106 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 106 D C 1.987 178.311 176.300 0.041 0.000 0.977 106 D CA 1.183 55.271 54.000 0.146 0.000 0.894 106 D CB 0.009 40.964 40.800 0.259 0.000 0.910 106 D HN 0.412 nan 8.370 nan 0.000 0.490 107 L N -0.862 120.289 121.223 -0.119 0.000 2.478 107 L HA 0.023 4.363 4.340 -0.000 0.000 0.223 107 L C 0.063 176.550 176.870 -0.638 0.000 1.140 107 L CA 0.364 54.917 54.840 -0.478 0.000 0.842 107 L CB -0.059 41.519 42.059 -0.803 0.000 0.953 107 L HN -0.075 nan 8.230 nan 0.000 0.452 108 F N -0.558 119.364 119.950 -0.046 0.000 2.508 108 F HA 0.307 4.834 4.527 -0.001 0.000 0.325 108 F C 0.601 176.448 175.800 0.078 0.000 1.090 108 F CA -1.166 56.811 58.000 -0.038 0.000 0.945 108 F CB 1.105 39.946 39.000 -0.266 0.000 1.156 108 F HN -0.201 nan 8.300 nan 0.000 0.463 109 E N 1.742 122.114 120.200 0.287 0.000 2.344 109 E HA 0.104 4.454 4.350 -0.000 0.000 0.270 109 E C -0.719 176.022 176.600 0.235 0.000 1.021 109 E CA -0.484 56.029 56.400 0.188 0.000 0.887 109 E CB 0.558 30.318 29.700 0.100 0.000 0.997 109 E HN 0.497 nan 8.360 nan 0.000 0.429 110 E N 2.369 122.640 120.200 0.119 0.000 2.452 110 E HA 0.149 4.499 4.350 -0.000 0.000 0.261 110 E C 0.968 177.332 176.600 -0.394 0.000 0.987 110 E CA 1.296 57.661 56.400 -0.058 0.000 0.926 110 E CB 0.494 30.161 29.700 -0.055 0.000 0.934 110 E HN 0.802 nan 8.360 nan 0.000 0.452 111 G N 2.463 110.613 108.800 -1.084 0.000 2.175 111 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 111 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 111 G C 0.413 174.720 174.900 -0.988 0.000 0.979 111 G CA 0.614 44.784 45.100 -1.550 0.000 0.663 111 G HN 0.552 nan 8.290 nan 0.000 0.533 112 S N -0.255 115.168 115.700 -0.462 0.000 2.505 112 S HA 0.528 4.998 4.470 -0.000 0.000 0.280 112 S C 1.628 176.343 174.600 0.192 0.000 1.197 112 S CA 0.143 58.323 58.200 -0.033 0.000 1.138 112 S CB 1.035 64.244 63.200 0.016 0.000 1.010 112 S HN 0.562 nan 8.310 nan 0.000 0.480 113 V N 4.711 124.750 119.914 0.209 0.000 2.324 113 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 113 V C 2.631 178.569 176.094 -0.260 0.000 1.060 113 V CA 2.631 64.861 62.300 -0.116 0.000 1.042 113 V CB -1.177 30.312 31.823 -0.555 0.000 0.650 113 V HN 0.825 nan 8.190 nan 0.000 0.450 114 T N 0.026 114.485 114.554 -0.158 0.000 2.685 114 T HA -0.281 4.068 4.350 -0.000 0.000 0.268 114 T C 1.895 176.643 174.700 0.079 0.000 1.034 114 T CA 2.029 64.112 62.100 -0.029 0.000 1.149 114 T CB -0.508 68.398 68.868 0.063 0.000 0.860 114 T HN 0.618 nan 8.240 nan 0.000 0.449 115 N N 0.437 119.209 118.700 0.120 0.000 2.171 115 N HA -0.050 4.689 4.740 -0.000 0.000 0.184 115 N C 2.121 177.787 175.510 0.260 0.000 1.021 115 N CA 1.023 54.175 53.050 0.170 0.000 0.854 115 N CB -0.209 38.384 38.487 0.178 0.000 0.994 115 N HN 0.404 nan 8.380 nan 0.000 0.426 116 M N -0.219 119.575 119.600 0.323 0.000 2.080 116 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 116 M C 1.433 177.912 176.300 0.298 0.000 1.068 116 M CA 1.614 57.119 55.300 0.340 0.000 1.109 116 M CB -0.181 32.537 32.600 0.195 0.000 1.342 116 M HN 0.026 nan 8.290 nan 0.000 0.405 117 F N 0.409 120.342 119.950 -0.028 0.000 2.234 117 F HA -0.116 4.410 4.527 -0.000 0.000 0.299 117 F C 2.486 178.295 175.800 0.016 0.000 1.087 117 F CA 1.507 59.484 58.000 -0.039 0.000 1.340 117 F CB -1.181 37.770 39.000 -0.082 0.000 1.031 117 F HN 0.192 nan 8.300 nan 0.000 0.500 118 T N -1.298 113.388 114.554 0.220 0.000 2.777 118 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 118 T C 2.365 177.121 174.700 0.094 0.000 1.040 118 T CA 1.646 63.828 62.100 0.137 0.000 1.141 118 T CB -0.301 68.634 68.868 0.111 0.000 0.868 118 T HN 0.138 nan 8.240 nan 0.000 0.444 119 S N 0.863 116.613 115.700 0.082 0.000 2.335 119 S HA 0.086 4.556 4.470 -0.000 0.000 0.217 119 S C 2.047 176.659 174.600 0.021 0.000 1.032 119 S CA 0.828 59.038 58.200 0.016 0.000 0.985 119 S CB -0.324 62.834 63.200 -0.070 0.000 0.896 119 S HN 0.370 nan 8.310 nan 0.000 0.445 120 I N 1.415 121.979 120.570 -0.011 0.000 2.394 120 I HA -0.072 4.098 4.170 -0.000 0.000 0.251 120 I C 1.457 177.700 176.117 0.209 0.000 1.136 120 I CA 0.939 62.245 61.300 0.011 0.000 1.425 120 I CB 0.023 37.938 38.000 -0.142 0.000 1.079 120 I HN 0.251 nan 8.210 nan 0.000 0.425 121 V N -2.999 116.967 119.914 0.086 0.000 3.070 121 V HA 0.490 4.609 4.120 -0.000 0.000 0.345 121 V C 1.400 177.540 176.094 0.076 0.000 1.403 121 V CA 0.200 62.569 62.300 0.114 0.000 1.155 121 V CB -0.342 31.299 31.823 -0.304 0.000 1.140 121 V HN 0.205 nan 8.190 nan 0.000 0.505 122 G N 1.631 110.506 108.800 0.125 0.000 2.424 122 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 122 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 122 G C 1.206 176.191 174.900 0.142 0.000 1.202 122 G CA 1.290 46.456 45.100 0.109 0.000 0.793 122 G HN 0.527 nan 8.290 nan 0.000 0.534 123 N N -0.593 118.220 118.700 0.188 0.000 2.503 123 N HA 0.001 4.740 4.740 -0.000 0.000 0.210 123 N C 2.405 178.114 175.510 0.331 0.000 1.077 123 N CA 0.984 54.169 53.050 0.225 0.000 0.855 123 N CB 0.097 38.710 38.487 0.211 0.000 1.323 123 N HN 0.218 nan 8.380 nan 0.000 0.452 124 V N -0.499 119.577 119.914 0.271 0.000 2.380 124 V HA -0.178 3.942 4.120 -0.000 0.000 0.251 124 V C 1.726 177.926 176.094 0.177 0.000 1.063 124 V CA 1.481 63.846 62.300 0.109 0.000 1.055 124 V CB -1.344 30.333 31.823 -0.243 0.000 0.657 124 V HN -0.024 nan 8.190 nan 0.000 0.455 125 F N 2.451 122.465 119.950 0.106 0.000 2.583 125 F HA 0.198 4.725 4.527 -0.000 0.000 0.297 125 F C 2.244 178.176 175.800 0.220 0.000 1.131 125 F CA 1.208 59.304 58.000 0.159 0.000 1.467 125 F CB -0.820 38.252 39.000 0.120 0.000 1.097 125 F HN 0.364 nan 8.300 nan 0.000 0.586 126 G N -2.009 107.007 108.800 0.358 0.000 3.159 126 G HA2 0.060 4.020 3.960 -0.000 0.000 0.232 126 G HA3 0.060 4.020 3.960 -0.000 0.000 0.232 126 G C 0.120 175.103 174.900 0.138 0.000 1.116 126 G CA -0.235 44.995 45.100 0.217 0.000 0.767 126 G HN 0.023 nan 8.290 nan 0.000 0.547 127 F N 1.477 121.438 119.950 0.019 0.000 2.578 127 F HA 0.202 4.729 4.527 -0.000 0.000 0.376 127 F C 1.768 177.559 175.800 -0.015 0.000 1.085 127 F CA 0.227 58.218 58.000 -0.016 0.000 1.260 127 F CB 1.129 40.093 39.000 -0.059 0.000 1.095 127 F HN -0.062 nan 8.300 nan 0.000 0.573 128 K N 2.779 123.171 120.400 -0.015 0.000 2.103 128 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 128 K C 1.916 178.562 176.600 0.076 0.000 1.048 128 K CA 1.308 57.599 56.287 0.006 0.000 0.930 128 K CB -0.171 32.296 32.500 -0.055 0.000 0.716 128 K HN 0.718 nan 8.250 nan 0.000 0.444 129 A N 0.940 123.861 122.820 0.168 0.000 2.248 129 A HA 0.012 4.332 4.320 -0.000 0.000 0.210 129 A C 0.351 177.981 177.584 0.076 0.000 1.174 129 A CA 0.619 52.738 52.037 0.137 0.000 0.750 129 A CB -0.650 18.468 19.000 0.196 0.000 0.780 129 A HN 0.242 nan 8.150 nan 0.000 0.478 130 L N -6.937 114.334 121.223 0.079 0.000 2.376 130 L HA 0.648 4.988 4.340 -0.000 0.000 0.258 130 L C 0.541 177.433 176.870 0.038 0.000 1.013 130 L CA -0.833 54.027 54.840 0.033 0.000 0.822 130 L CB 1.165 43.215 42.059 -0.014 0.000 1.388 130 L HN -0.082 nan 8.230 nan 0.000 0.413 131 R N 0.619 121.137 120.500 0.030 0.000 2.112 131 R HA 0.656 4.996 4.340 -0.000 0.000 0.216 131 R C -0.039 176.272 176.300 0.019 0.000 1.080 131 R CA 0.927 57.039 56.100 0.020 0.000 0.996 131 R CB 0.442 30.756 30.300 0.023 0.000 0.902 131 R HN 0.901 nan 8.270 nan 0.000 0.449 132 A N 0.452 123.312 122.820 0.067 0.000 2.604 132 A HA 0.583 4.902 4.320 -0.000 0.000 0.295 132 A C -2.001 175.695 177.584 0.187 0.000 1.067 132 A CA -0.611 51.537 52.037 0.185 0.000 0.683 132 A CB 1.719 20.814 19.000 0.158 0.000 1.281 132 A HN 0.065 nan 8.150 nan 0.000 0.407 133 L N 0.636 122.046 121.223 0.312 0.000 2.445 133 L HA 0.798 5.138 4.340 -0.000 0.000 0.262 133 L C -0.659 176.169 176.870 -0.070 0.000 0.974 133 L CA -0.177 54.599 54.840 -0.108 0.000 0.822 133 L CB 1.995 43.678 42.059 -0.626 0.000 1.339 133 L HN 0.802 nan 8.230 nan 0.000 0.409 134 R N 3.711 124.224 120.500 0.021 0.000 2.538 134 R HA 0.523 4.863 4.340 -0.000 0.000 0.292 134 R C -1.864 174.495 176.300 0.099 0.000 1.008 134 R CA -0.884 55.298 56.100 0.137 0.000 0.896 134 R CB 1.861 32.225 30.300 0.107 0.000 1.187 134 R HN 0.663 nan 8.270 nan 0.000 0.440 135 L N 4.164 125.475 121.223 0.146 0.000 2.281 135 L HA 0.248 4.588 4.340 -0.000 0.000 0.285 135 L C 0.796 177.572 176.870 -0.157 0.000 1.074 135 L CA 0.577 55.313 54.840 -0.173 0.000 0.817 135 L CB 1.057 42.995 42.059 -0.202 0.000 1.168 135 L HN 0.665 nan 8.230 nan 0.000 0.434 136 E N 2.188 122.198 120.200 -0.318 0.000 2.244 136 E HA 0.140 4.489 4.350 -0.000 0.000 0.196 136 E C -0.360 176.082 176.600 -0.264 0.000 0.939 136 E CA 0.350 56.555 56.400 -0.325 0.000 0.884 136 E CB 0.583 29.869 29.700 -0.691 0.000 0.850 136 E HN 0.682 nan 8.360 nan 0.000 0.481 137 D N -0.979 119.260 120.400 -0.269 0.000 2.622 137 D HA 0.409 5.048 4.640 -0.000 0.000 0.255 137 D C -1.519 174.835 176.300 0.091 0.000 1.246 137 D CA -0.453 53.557 54.000 0.017 0.000 0.795 137 D CB 1.397 42.305 40.800 0.180 0.000 1.369 137 D HN -0.151 nan 8.370 nan 0.000 0.425 138 L N 1.054 122.307 121.223 0.050 0.000 2.388 138 L HA 0.558 4.898 4.340 -0.000 0.000 0.264 138 L C -0.263 176.408 176.870 -0.332 0.000 0.998 138 L CA -0.954 53.770 54.840 -0.195 0.000 0.817 138 L CB 2.248 44.192 42.059 -0.192 0.000 1.338 138 L HN 0.186 nan 8.230 nan 0.000 0.414 139 R N 3.631 123.710 120.500 -0.700 0.000 2.239 139 R HA 0.381 4.721 4.340 -0.000 0.000 0.332 139 R C -1.069 174.990 176.300 -0.402 0.000 0.988 139 R CA -0.703 55.047 56.100 -0.584 0.000 0.859 139 R CB 0.532 30.342 30.300 -0.815 0.000 1.148 139 R HN 0.408 nan 8.270 nan 0.000 0.482 140 I N 7.557 127.900 120.570 -0.377 0.000 2.308 140 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 140 I C -1.940 174.017 176.117 -0.267 0.000 1.078 140 I CA -3.045 58.074 61.300 -0.301 0.000 1.292 140 I CB 0.751 38.543 38.000 -0.347 0.000 1.423 140 I HN 0.236 nan 8.210 nan 0.000 0.493 141 P HA 0.219 nan 4.420 nan 0.000 0.275 141 P C -2.214 175.063 177.300 -0.039 0.000 1.228 141 P CA -1.450 61.592 63.100 -0.096 0.000 0.786 141 P CB 0.414 32.089 31.700 -0.041 0.000 0.927 142 P HA -0.243 nan 4.420 nan 0.000 0.216 142 P C 1.496 178.836 177.300 0.067 0.000 1.157 142 P CA 2.458 65.566 63.100 0.014 0.000 0.880 142 P CB -0.527 31.189 31.700 0.027 0.000 0.791 143 A N -2.355 120.513 122.820 0.081 0.000 2.070 143 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 143 A C 2.178 179.884 177.584 0.203 0.000 1.159 143 A CA 1.356 53.463 52.037 0.117 0.000 0.656 143 A CB -1.625 17.435 19.000 0.100 0.000 0.800 143 A HN 0.169 nan 8.150 nan 0.000 0.453 144 Y N -0.200 120.130 120.300 0.051 0.000 2.347 144 Y HA 0.003 4.553 4.550 -0.000 0.000 0.294 144 Y C 2.335 178.368 175.900 0.221 0.000 1.117 144 Y CA 0.961 59.129 58.100 0.114 0.000 1.184 144 Y CB -0.258 38.217 38.460 0.025 0.000 1.047 144 Y HN 0.051 nan 8.280 nan 0.000 0.546 145 V N 0.810 120.780 119.914 0.092 0.000 2.332 145 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 145 V C 2.246 178.430 176.094 0.151 0.000 1.055 145 V CA 2.026 64.347 62.300 0.034 0.000 1.038 145 V CB -0.520 31.322 31.823 0.031 0.000 0.651 145 V HN 0.240 nan 8.190 nan 0.000 0.450 146 K N 0.585 121.059 120.400 0.123 0.000 2.442 146 K HA -0.103 4.217 4.320 -0.000 0.000 0.198 146 K C 1.996 178.644 176.600 0.080 0.000 1.044 146 K CA 1.579 57.927 56.287 0.101 0.000 0.948 146 K CB -0.773 31.774 32.500 0.078 0.000 0.762 146 K HN 0.754 nan 8.250 nan 0.000 0.472 147 T N -2.041 112.559 114.554 0.077 0.000 3.129 147 T HA 0.110 4.460 4.350 -0.000 0.000 0.251 147 T C 0.353 174.884 174.700 -0.282 0.000 1.117 147 T CA -0.231 61.809 62.100 -0.100 0.000 1.034 147 T CB -0.279 68.467 68.868 -0.202 0.000 0.968 147 T HN -0.179 nan 8.240 nan 0.000 0.526 148 F N 0.160 120.020 119.950 -0.150 0.000 2.469 148 F HA 0.548 5.075 4.527 -0.000 0.000 0.332 148 F C 1.241 176.990 175.800 -0.086 0.000 1.103 148 F CA -1.519 56.400 58.000 -0.135 0.000 0.979 148 F CB 1.754 40.658 39.000 -0.159 0.000 1.137 148 F HN -0.261 nan 8.300 nan 0.000 0.463 149 V N 2.241 122.185 119.914 0.050 0.000 2.407 149 V HA -0.002 4.118 4.120 -0.000 0.000 0.248 149 V C 1.392 177.502 176.094 0.027 0.000 1.055 149 V CA 1.544 63.852 62.300 0.014 0.000 1.049 149 V CB -1.297 30.510 31.823 -0.026 0.000 0.662 149 V HN 1.148 nan 8.190 nan 0.000 0.455 153 H N -0.677 118.366 119.070 -0.044 0.000 1.955 153 H HA 0.500 5.056 4.556 -0.000 0.000 0.196 153 H C 1.034 176.351 175.328 -0.019 0.000 0.891 153 H CA 1.310 57.343 56.048 -0.025 0.000 1.001 153 H CB 0.499 30.251 29.762 -0.017 0.000 1.195 153 H HN 0.287 nan 8.280 nan 0.000 0.384 154 G N 0.971 109.826 108.800 0.093 0.000 2.707 154 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.686 154 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.686 154 G C 0.752 175.693 174.900 0.068 0.000 1.315 154 G CA -0.066 45.056 45.100 0.037 0.000 0.832 154 G HN 0.182 nan 8.290 nan 0.000 0.573 155 I N 0.281 120.876 120.570 0.042 0.000 2.127 155 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 155 I C 2.996 179.157 176.117 0.073 0.000 1.075 155 I CA 2.353 63.686 61.300 0.055 0.000 1.334 155 I CB -0.380 37.640 38.000 0.034 0.000 1.040 155 I HN 0.636 nan 8.210 nan 0.000 0.405 156 Q N 0.294 120.138 119.800 0.073 0.000 2.030 156 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 156 Q C 2.329 178.389 176.000 0.101 0.000 0.986 156 Q CA 1.724 57.584 55.803 0.094 0.000 0.843 156 Q CB -0.670 28.117 28.738 0.082 0.000 0.904 156 Q HN 0.356 nan 8.270 nan 0.000 0.420 157 V N 0.702 120.670 119.914 0.091 0.000 2.343 157 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 157 V C 2.219 178.343 176.094 0.050 0.000 1.051 157 V CA 2.054 64.405 62.300 0.086 0.000 1.036 157 V CB -0.616 31.280 31.823 0.123 0.000 0.654 157 V HN 0.468 nan 8.190 nan 0.000 0.451 158 E N 0.352 120.589 120.200 0.062 0.000 2.058 158 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 158 E C 2.474 179.087 176.600 0.021 0.000 0.997 158 E CA 1.582 58.006 56.400 0.041 0.000 0.801 158 E CB -0.121 29.646 29.700 0.111 0.000 0.746 158 E HN 0.486 nan 8.360 nan 0.000 0.450 159 R N 0.295 120.807 120.500 0.020 0.000 2.083 159 R HA -0.147 4.192 4.340 -0.000 0.000 0.237 159 R C 2.097 178.297 176.300 -0.167 0.000 1.137 159 R CA 1.653 57.697 56.100 -0.093 0.000 0.951 159 R CB -0.259 30.033 30.300 -0.013 0.000 0.851 159 R HN 0.315 nan 8.270 nan 0.000 0.434 160 D N 0.452 120.879 120.400 0.046 0.000 2.123 160 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 160 D C 1.766 178.083 176.300 0.029 0.000 0.992 160 D CA 1.287 55.358 54.000 0.118 0.000 0.833 160 D CB -0.066 40.821 40.800 0.146 0.000 0.954 160 D HN 0.201 nan 8.370 nan 0.000 0.455 161 K N 0.108 120.503 120.400 -0.008 0.000 2.026 161 K HA -0.023 4.296 4.320 -0.000 0.000 0.208 161 K C 2.235 178.818 176.600 -0.028 0.000 1.048 161 K CA 0.606 56.876 56.287 -0.028 0.000 0.929 161 K CB -0.116 32.334 32.500 -0.083 0.000 0.713 161 K HN 0.158 nan 8.250 nan 0.000 0.439 162 L N 0.394 121.588 121.223 -0.048 0.000 2.395 162 L HA -0.033 4.307 4.340 -0.000 0.000 0.218 162 L C 0.594 177.392 176.870 -0.120 0.000 1.130 162 L CA 0.189 54.997 54.840 -0.053 0.000 0.826 162 L CB -0.484 41.559 42.059 -0.027 0.000 0.941 162 L HN 0.417 nan 8.230 nan 0.000 0.451 163 N N 1.241 119.824 118.700 -0.195 0.000 2.756 163 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 163 N C -0.633 174.622 175.510 -0.425 0.000 1.062 163 N CA 0.370 53.271 53.050 -0.248 0.000 0.696 163 N CB -0.373 38.093 38.487 -0.034 0.000 0.946 163 N HN 0.368 nan 8.380 nan 0.000 0.548 164 K N 1.582 121.549 120.400 -0.721 0.000 2.463 164 K HA 0.382 4.702 4.320 -0.000 0.000 0.255 164 K C -1.443 174.768 176.600 -0.648 0.000 0.942 164 K CA -0.376 55.611 56.287 -0.500 0.000 0.814 164 K CB 1.161 33.500 32.500 -0.269 0.000 1.122 164 K HN 0.096 nan 8.250 nan 0.000 0.425 165 Y N -0.722 119.583 120.300 0.009 0.000 2.553 165 Y HA 0.400 4.950 4.550 -0.000 0.000 0.347 165 Y C 0.990 176.897 175.900 0.013 0.000 1.019 165 Y CA -0.874 57.234 58.100 0.014 0.000 1.032 165 Y CB 2.385 40.853 38.460 0.015 0.000 1.284 165 Y HN 0.798 nan 8.280 nan 0.000 0.466 166 G N 1.719 110.633 108.800 0.190 0.000 2.198 166 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.260 166 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.260 166 G C -0.262 174.683 174.900 0.074 0.000 1.025 166 G CA 0.549 45.716 45.100 0.111 0.000 0.769 166 G HN 0.937 nan 8.290 nan 0.000 0.507 167 R N -2.279 118.259 120.500 0.063 0.000 2.765 167 R HA 0.613 4.952 4.340 -0.000 0.000 0.277 167 R C 0.425 176.747 176.300 0.037 0.000 1.028 167 R CA -0.582 55.545 56.100 0.046 0.000 0.860 167 R CB -0.044 30.277 30.300 0.034 0.000 1.270 167 R HN 1.054 nan 8.270 nan 0.000 0.484 168 G N 1.006 109.830 108.800 0.041 0.000 2.664 168 G HA2 0.385 4.345 3.960 -0.000 0.000 0.242 168 G HA3 0.385 4.345 3.960 -0.000 0.000 0.242 168 G C -0.348 174.560 174.900 0.013 0.000 1.225 168 G CA -0.830 44.288 45.100 0.031 0.000 0.849 168 G HN 0.369 nan 8.290 nan 0.000 0.581 169 L N -0.217 121.010 121.223 0.006 0.000 2.343 169 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 169 L C -0.047 176.847 176.870 0.040 0.000 1.056 169 L CA -0.637 54.204 54.840 0.001 0.000 0.804 169 L CB 1.560 43.651 42.059 0.053 0.000 1.203 169 L HN 0.227 nan 8.230 nan 0.000 0.440 170 L N 1.684 122.915 121.223 0.014 0.000 2.313 170 L HA 0.680 5.019 4.340 -0.000 0.000 0.283 170 L C 0.318 177.243 176.870 0.091 0.000 1.013 170 L CA -0.201 54.689 54.840 0.084 0.000 0.816 170 L CB 1.679 43.780 42.059 0.070 0.000 1.236 170 L HN 0.710 nan 8.230 nan 0.000 0.419 171 G N 1.020 109.898 108.800 0.131 0.000 3.042 171 G HA2 0.646 4.605 3.960 -0.000 0.000 0.278 171 G HA3 0.646 4.605 3.960 -0.000 0.000 0.278 171 G C -1.774 173.153 174.900 0.044 0.000 1.371 171 G CA -0.522 44.627 45.100 0.081 0.000 1.009 171 G HN 0.664 nan 8.290 nan 0.000 0.523 172 C N 0.063 119.337 119.300 -0.043 0.000 3.097 172 C HA 0.561 5.020 4.460 -0.000 0.000 0.422 172 C C -0.327 174.625 174.990 -0.064 0.000 0.999 172 C CA -0.562 58.449 59.018 -0.012 0.000 1.235 172 C CB 0.177 27.930 27.740 0.021 0.000 1.615 172 C HN 0.831 nan 8.230 nan 0.000 0.553 173 T N 7.383 121.923 114.554 -0.023 0.000 2.761 173 T HA 0.359 4.708 4.350 -0.000 0.000 0.296 173 T C 0.688 175.384 174.700 -0.007 0.000 0.934 173 T CA -0.234 61.864 62.100 -0.005 0.000 1.091 173 T CB 0.234 69.131 68.868 0.049 0.000 0.896 173 T HN 0.585 nan 8.240 nan 0.000 0.515 174 I N 4.031 124.580 120.570 -0.036 0.000 2.815 174 I HA 0.121 4.291 4.170 -0.000 0.000 0.291 174 I C 0.746 176.827 176.117 -0.059 0.000 1.209 174 I CA 0.393 61.609 61.300 -0.139 0.000 1.431 174 I CB -0.206 37.487 38.000 -0.512 0.000 1.351 174 I HN 0.477 nan 8.210 nan 0.000 0.585 175 K N 6.255 126.622 120.400 -0.056 0.000 2.435 175 K HA 0.551 4.870 4.320 -0.000 0.000 0.251 175 K C -2.459 174.135 176.600 -0.009 0.000 0.954 175 K CA -1.622 54.666 56.287 0.001 0.000 0.820 175 K CB 1.636 34.153 32.500 0.029 0.000 1.292 175 K HN 0.269 nan 8.250 nan 0.000 0.436 176 P HA 0.118 nan 4.420 nan 0.000 0.270 176 P C 0.315 177.644 177.300 0.049 0.000 1.223 176 P CA -0.131 62.981 63.100 0.020 0.000 0.785 176 P CB 0.862 32.558 31.700 -0.007 0.000 0.923 177 K N 0.281 120.713 120.400 0.053 0.000 1.987 177 K HA -0.091 4.229 4.320 -0.000 0.000 0.216 177 K C 0.854 177.530 176.600 0.127 0.000 1.051 177 K CA 1.290 57.632 56.287 0.093 0.000 0.942 177 K CB -0.389 32.150 32.500 0.066 0.000 0.722 177 K HN 0.386 nan 8.250 nan 0.000 0.444 178 L N -1.841 119.390 121.223 0.013 0.000 2.313 178 L HA 0.424 4.764 4.340 -0.000 0.000 0.268 178 L C 0.964 177.549 176.870 -0.475 0.000 1.010 178 L CA -0.246 54.497 54.840 -0.162 0.000 0.814 178 L CB 1.942 43.927 42.059 -0.124 0.000 1.304 178 L HN 0.568 nan 8.230 nan 0.000 0.441 179 G N 0.777 108.854 108.800 -1.205 0.000 2.278 179 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.210 179 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.210 179 G C -0.104 174.621 174.900 -0.290 0.000 1.000 179 G CA -0.605 44.014 45.100 -0.801 0.000 0.635 179 G HN 0.314 nan 8.290 nan 0.000 0.495 180 L N 2.654 123.872 121.223 -0.009 0.000 2.371 180 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 180 L C 1.508 178.596 176.870 0.364 0.000 1.124 180 L CA 0.011 54.974 54.840 0.204 0.000 0.816 180 L CB 1.411 43.639 42.059 0.282 0.000 1.129 180 L HN 0.488 nan 8.230 nan 0.000 0.448 181 S N 1.929 117.778 115.700 0.248 0.000 2.600 181 S HA 0.277 4.747 4.470 -0.000 0.000 0.265 181 S C 1.121 175.849 174.600 0.214 0.000 1.325 181 S CA -0.145 58.187 58.200 0.220 0.000 1.002 181 S CB 1.541 64.811 63.200 0.117 0.000 0.921 181 S HN 0.709 nan 8.310 nan 0.000 0.554 182 A N 1.861 124.788 122.820 0.178 0.000 1.873 182 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 182 A C 2.114 179.740 177.584 0.070 0.000 1.193 182 A CA 2.265 54.440 52.037 0.229 0.000 0.629 182 A CB -1.234 17.991 19.000 0.375 0.000 0.826 182 A HN 0.950 nan 8.150 nan 0.000 0.447 183 K N 0.264 120.484 120.400 -0.300 0.000 2.032 183 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 183 K C 1.691 178.126 176.600 -0.275 0.000 1.048 183 K CA 2.071 57.907 56.287 -0.752 0.000 0.927 183 K CB -0.374 31.726 32.500 -0.668 0.000 0.712 183 K HN 0.463 nan 8.250 nan 0.000 0.441 184 N N -0.514 118.138 118.700 -0.080 0.000 2.188 184 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 184 N C 1.627 177.171 175.510 0.056 0.000 1.018 184 N CA 1.151 54.199 53.050 -0.002 0.000 0.858 184 N CB -0.429 38.078 38.487 0.034 0.000 0.989 184 N HN 0.267 nan 8.380 nan 0.000 0.426 185 Y N 1.338 121.645 120.300 0.012 0.000 2.128 185 Y HA -0.158 4.392 4.550 0.000 0.000 0.284 185 Y C 2.453 178.369 175.900 0.028 0.000 1.154 185 Y CA 1.927 60.058 58.100 0.053 0.000 1.149 185 Y CB -0.636 37.883 38.460 0.098 0.000 0.976 185 Y HN 0.080 nan 8.280 nan 0.000 0.505 186 G N -0.585 108.326 108.800 0.185 0.000 2.422 186 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 186 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 186 G C 1.731 176.684 174.900 0.089 0.000 1.146 186 G CA 0.854 46.030 45.100 0.128 0.000 0.769 186 G HN 0.353 nan 8.290 nan 0.000 0.547 187 R N 0.614 121.139 120.500 0.042 0.000 2.080 187 R HA -0.027 4.313 4.340 -0.000 0.000 0.236 187 R C 2.847 179.193 176.300 0.077 0.000 1.137 187 R CA 1.722 57.866 56.100 0.073 0.000 0.943 187 R CB -0.531 29.780 30.300 0.019 0.000 0.846 187 R HN 0.248 nan 8.270 nan 0.000 0.431 188 A N 0.391 123.214 122.820 0.006 0.000 1.908 188 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 188 A C 2.328 179.899 177.584 -0.022 0.000 1.181 188 A CA 1.801 53.816 52.037 -0.036 0.000 0.627 188 A CB -0.660 18.270 19.000 -0.117 0.000 0.818 188 A HN 0.271 nan 8.150 nan 0.000 0.445 189 V N -1.244 118.674 119.914 0.006 0.000 2.295 189 V HA -0.281 3.838 4.120 -0.000 0.000 0.246 189 V C 2.380 178.524 176.094 0.082 0.000 1.049 189 V CA 2.174 64.506 62.300 0.052 0.000 1.024 189 V CB -1.023 30.838 31.823 0.064 0.000 0.648 189 V HN 0.753 nan 8.190 nan 0.000 0.447 190 Y N 1.489 121.788 120.300 -0.001 0.000 2.128 190 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 190 Y C 2.540 178.440 175.900 -0.000 0.000 1.154 190 Y CA 1.954 60.057 58.100 0.004 0.000 1.149 190 Y CB -0.357 38.108 38.460 0.009 0.000 0.976 190 Y HN 0.299 nan 8.280 nan 0.000 0.505 191 E N -0.323 119.691 120.200 -0.310 0.000 2.051 191 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 191 E C 2.494 178.944 176.600 -0.250 0.000 0.991 191 E CA 1.535 57.700 56.400 -0.392 0.000 0.799 191 E CB -1.010 28.582 29.700 -0.180 0.000 0.748 191 E HN 0.564 nan 8.360 nan 0.000 0.449 192 C N 0.990 120.210 119.300 -0.133 0.000 2.413 192 C HA -0.098 4.362 4.460 -0.000 0.000 0.276 192 C C 2.911 177.843 174.990 -0.096 0.000 1.236 192 C CA 0.425 59.389 59.018 -0.090 0.000 1.735 192 C CB -1.229 26.486 27.740 -0.042 0.000 2.031 192 C HN 0.342 nan 8.230 nan 0.000 0.474 193 L N 1.094 122.269 121.223 -0.081 0.000 2.093 193 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 193 L C 2.962 179.784 176.870 -0.080 0.000 1.085 193 L CA 1.652 56.461 54.840 -0.053 0.000 0.755 193 L CB -0.610 41.455 42.059 0.010 0.000 0.904 193 L HN 0.489 nan 8.230 nan 0.000 0.435 194 R N 0.032 120.439 120.500 -0.154 0.000 2.189 194 R HA -0.018 4.322 4.340 -0.000 0.000 0.218 194 R C 2.020 178.245 176.300 -0.125 0.000 1.074 194 R CA 1.106 57.119 56.100 -0.145 0.000 0.991 194 R CB -0.780 29.351 30.300 -0.282 0.000 0.883 194 R HN 0.202 nan 8.270 nan 0.000 0.457 195 G N 0.026 108.742 108.800 -0.141 0.000 2.534 195 G HA2 0.107 4.067 3.960 -0.000 0.000 0.217 195 G HA3 0.107 4.067 3.960 -0.000 0.000 0.217 195 G C 0.997 175.844 174.900 -0.088 0.000 1.128 195 G CA 0.570 45.602 45.100 -0.114 0.000 0.784 195 G HN 0.620 nan 8.290 nan 0.000 0.542 196 G N -1.177 107.575 108.800 -0.079 0.000 2.273 196 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.162 196 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.162 196 G C 0.228 175.084 174.900 -0.073 0.000 1.006 196 G CA -0.290 44.769 45.100 -0.068 0.000 0.704 196 G HN 0.341 nan 8.290 nan 0.000 0.487 197 L N 1.142 122.321 121.223 -0.073 0.000 2.439 197 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 197 L C 1.177 177.971 176.870 -0.127 0.000 1.179 197 L CA -0.565 54.233 54.840 -0.071 0.000 0.828 197 L CB 0.573 42.608 42.059 -0.039 0.000 1.106 197 L HN 0.005 nan 8.230 nan 0.000 0.467 198 D N 1.258 121.530 120.400 -0.214 0.000 2.162 198 D HA 0.036 4.676 4.640 -0.000 0.000 0.205 198 D C -0.141 175.840 176.300 -0.531 0.000 0.964 198 D CA 1.508 55.229 54.000 -0.464 0.000 0.847 198 D CB 0.311 40.672 40.800 -0.731 0.000 0.988 198 D HN 0.111 nan 8.370 nan 0.000 0.480 199 F N -0.079 119.822 119.950 -0.083 0.000 2.576 199 F HA 0.320 4.847 4.527 -0.000 0.000 0.313 199 F C 0.686 176.304 175.800 -0.303 0.000 1.078 199 F CA -1.105 56.764 58.000 -0.219 0.000 0.921 199 F CB 1.796 40.608 39.000 -0.314 0.000 1.232 199 F HN -0.328 nan 8.300 nan 0.000 0.459 203 D N 1.040 121.580 120.400 0.233 0.000 2.382 203 D HA -0.007 4.633 4.640 -0.000 0.000 0.240 203 D C 1.492 177.792 176.300 -0.000 0.000 1.146 203 D CA 0.009 54.074 54.000 0.109 0.000 0.897 203 D CB 1.078 41.956 40.800 0.130 0.000 1.197 203 D HN 0.414 nan 8.370 nan 0.000 0.432 204 E N 2.595 122.678 120.200 -0.194 0.000 2.171 204 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 204 E C 0.738 177.230 176.600 -0.179 0.000 0.997 204 E CA 1.322 57.485 56.400 -0.396 0.000 0.810 204 E CB -0.395 28.659 29.700 -1.077 0.000 0.738 204 E HN 0.523 nan 8.360 nan 0.000 0.467 205 N N 1.031 119.683 118.700 -0.081 0.000 2.336 205 N HA -0.003 4.737 4.740 -0.000 0.000 0.189 205 N C 0.110 175.658 175.510 0.064 0.000 1.113 205 N CA -0.039 53.005 53.050 -0.010 0.000 0.858 205 N CB 0.048 38.541 38.487 0.011 0.000 0.970 205 N HN -0.044 nan 8.380 nan 0.000 0.471 206 V N 2.084 122.052 119.914 0.091 0.000 2.397 206 V HA 0.121 4.241 4.120 -0.000 0.000 0.262 206 V C 0.385 176.521 176.094 0.070 0.000 1.047 206 V CA -0.003 62.370 62.300 0.122 0.000 1.003 206 V CB -0.673 31.241 31.823 0.153 0.000 1.037 206 V HN 0.323 nan 8.190 nan 0.000 0.480 207 N N 2.588 121.312 118.700 0.040 0.000 2.833 207 N HA 0.248 4.988 4.740 -0.000 0.000 0.168 207 N C -0.194 175.338 175.510 0.037 0.000 1.383 207 N CA -0.361 52.705 53.050 0.028 0.000 1.103 207 N CB 0.634 39.116 38.487 -0.009 0.000 1.235 207 N HN 0.501 nan 8.380 nan 0.000 0.437 208 S N 0.253 115.952 115.700 -0.002 0.000 2.677 208 S HA 0.463 4.933 4.470 -0.000 0.000 0.283 208 S C -1.719 172.803 174.600 -0.129 0.000 1.159 208 S CA -0.419 57.780 58.200 -0.002 0.000 1.001 208 S CB 1.236 64.561 63.200 0.209 0.000 1.032 208 S HN 0.253 nan 8.310 nan 0.000 0.487 209 Q N 3.354 122.954 119.800 -0.333 0.000 2.544 209 Q HA 0.499 4.838 4.340 -0.000 0.000 0.291 209 Q C -2.081 173.657 176.000 -0.437 0.000 1.068 209 Q CA -1.797 53.752 55.803 -0.423 0.000 0.785 209 Q CB 1.491 29.814 28.738 -0.691 0.000 1.481 209 Q HN 0.268 nan 8.270 nan 0.000 0.430 210 P HA -0.183 nan 4.420 nan 0.000 0.217 210 P C 0.522 177.783 177.300 -0.065 0.000 1.148 210 P CA 1.400 64.445 63.100 -0.092 0.000 0.828 210 P CB 0.048 31.766 31.700 0.030 0.000 0.783 211 F N -2.782 117.184 119.950 0.026 0.000 2.456 211 F HA 0.286 4.812 4.527 -0.000 0.000 0.298 211 F C 1.018 176.839 175.800 0.035 0.000 1.104 211 F CA 0.099 58.118 58.000 0.032 0.000 1.435 211 F CB -0.492 38.533 39.000 0.042 0.000 1.078 211 F HN -0.197 nan 8.300 nan 0.000 0.546 212 M N 1.482 120.819 119.600 -0.439 0.000 2.272 212 M HA 0.347 4.827 4.480 -0.000 0.000 0.240 212 M C -1.443 174.686 176.300 -0.284 0.000 0.991 212 M CA -0.539 54.633 55.300 -0.213 0.000 1.008 212 M CB 1.059 33.640 32.600 -0.032 0.000 2.221 212 M HN -0.191 nan 8.290 nan 0.000 0.469 213 R N 4.010 124.399 120.500 -0.184 0.000 2.441 213 R HA 0.208 4.548 4.340 -0.000 0.000 0.284 213 R C 1.118 177.288 176.300 -0.216 0.000 1.070 213 R CA -0.172 55.805 56.100 -0.204 0.000 1.047 213 R CB 0.581 30.738 30.300 -0.239 0.000 1.016 213 R HN 0.940 nan 8.270 nan 0.000 0.477 214 W N 4.596 125.771 121.300 -0.209 0.000 2.338 214 W HA -0.203 4.457 4.660 -0.001 0.000 0.304 214 W C 1.090 177.397 176.519 -0.354 0.000 1.212 214 W CA 0.811 57.999 57.345 -0.261 0.000 1.264 214 W CB -0.469 28.764 29.460 -0.378 0.000 1.142 214 W HN 0.565 nan 8.180 nan 0.000 0.512 215 R N 0.994 120.631 120.500 -1.438 0.000 2.115 215 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 215 R C 1.866 177.867 176.300 -0.498 0.000 1.111 215 R CA 1.896 57.233 56.100 -1.271 0.000 0.976 215 R CB -0.354 29.046 30.300 -1.500 0.000 0.870 215 R HN 0.000 nan 8.270 nan 0.000 0.445 216 D N 0.054 120.224 120.400 -0.383 0.000 2.097 216 D HA -0.208 4.431 4.640 -0.000 0.000 0.195 216 D C 1.860 178.152 176.300 -0.012 0.000 0.989 216 D CA 1.127 55.010 54.000 -0.195 0.000 0.827 216 D CB -0.217 40.544 40.800 -0.064 0.000 0.966 216 D HN 0.235 nan 8.370 nan 0.000 0.456 217 R N -0.231 120.322 120.500 0.087 0.000 2.083 217 R HA -0.163 4.176 4.340 -0.000 0.000 0.237 217 R C 2.330 178.798 176.300 0.281 0.000 1.137 217 R CA 1.171 57.394 56.100 0.205 0.000 0.951 217 R CB -0.353 30.024 30.300 0.127 0.000 0.851 217 R HN 0.038 nan 8.270 nan 0.000 0.434 218 F N 0.654 120.610 119.950 0.011 0.000 2.126 218 F HA -0.172 4.355 4.527 0.001 0.000 0.299 218 F C 2.116 177.904 175.800 -0.021 0.000 1.096 218 F CA 0.910 58.937 58.000 0.045 0.000 1.255 218 F CB -0.793 38.297 39.000 0.150 0.000 0.997 218 F HN 0.058 nan 8.300 nan 0.000 0.479 219 L N -1.326 119.942 121.223 0.076 0.000 2.017 219 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 219 L C 2.306 179.120 176.870 -0.093 0.000 1.073 219 L CA 1.670 56.454 54.840 -0.093 0.000 0.745 219 L CB -1.089 40.779 42.059 -0.318 0.000 0.894 219 L HN -0.036 nan 8.230 nan 0.000 0.432 220 F N -1.494 118.481 119.950 0.041 0.000 2.146 220 F HA -0.149 4.378 4.527 -0.001 0.000 0.298 220 F C 2.436 178.237 175.800 0.002 0.000 1.096 220 F CA 0.984 59.001 58.000 0.027 0.000 1.275 220 F CB -1.152 37.872 39.000 0.040 0.000 1.008 220 F HN -0.187 nan 8.300 nan 0.000 0.480 221 V N -0.025 119.980 119.914 0.150 0.000 2.407 221 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 221 V C 2.598 178.650 176.094 -0.070 0.000 1.055 221 V CA 1.689 63.970 62.300 -0.032 0.000 1.049 221 V CB -1.371 30.298 31.823 -0.256 0.000 0.662 221 V HN 0.352 nan 8.190 nan 0.000 0.455 222 A N -0.411 122.380 122.820 -0.049 0.000 1.908 222 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 222 A C 2.291 179.808 177.584 -0.111 0.000 1.181 222 A CA 2.156 54.116 52.037 -0.128 0.000 0.627 222 A CB -0.526 18.487 19.000 0.022 0.000 0.818 222 A HN 0.636 nan 8.150 nan 0.000 0.445 223 E N -0.277 119.956 120.200 0.054 0.000 2.077 223 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 223 E C 2.158 178.793 176.600 0.058 0.000 0.989 223 E CA 1.000 57.468 56.400 0.113 0.000 0.800 223 E CB -0.260 29.523 29.700 0.139 0.000 0.746 223 E HN 0.545 nan 8.360 nan 0.000 0.452 224 A N 1.166 124.012 122.820 0.043 0.000 1.877 224 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 224 A C 2.174 179.792 177.584 0.058 0.000 1.186 224 A CA 1.473 53.552 52.037 0.069 0.000 0.620 224 A CB -0.733 18.334 19.000 0.111 0.000 0.822 224 A HN 0.338 nan 8.150 nan 0.000 0.443 225 I N -1.678 118.850 120.570 -0.069 0.000 2.194 225 I HA -0.327 3.843 4.170 -0.000 0.000 0.246 225 I C 2.375 178.427 176.117 -0.107 0.000 1.093 225 I CA 1.635 62.847 61.300 -0.147 0.000 1.355 225 I CB -0.444 37.341 38.000 -0.358 0.000 1.046 225 I HN 0.409 nan 8.210 nan 0.000 0.413 226 Y N 0.537 120.877 120.300 0.068 0.000 2.263 226 Y HA -0.139 4.411 4.550 -0.000 0.000 0.292 226 Y C 2.515 178.441 175.900 0.043 0.000 1.130 226 Y CA 0.836 58.965 58.100 0.049 0.000 1.179 226 Y CB -0.689 37.791 38.460 0.034 0.000 0.998 226 Y HN 0.068 nan 8.280 nan 0.000 0.532 227 K N 0.308 120.802 120.400 0.156 0.000 2.002 227 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 227 K C 2.327 179.035 176.600 0.180 0.000 1.048 227 K CA 1.268 57.599 56.287 0.074 0.000 0.930 227 K CB -0.299 32.102 32.500 -0.166 0.000 0.714 227 K HN 0.234 nan 8.250 nan 0.000 0.438 228 A N 1.016 123.996 122.820 0.267 0.000 1.933 228 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 228 A C 2.060 179.731 177.584 0.145 0.000 1.175 228 A CA 1.618 53.809 52.037 0.256 0.000 0.628 228 A CB -0.550 18.571 19.000 0.201 0.000 0.814 228 A HN 0.521 nan 8.150 nan 0.000 0.444 229 Q N -0.890 118.992 119.800 0.136 0.000 2.079 229 Q HA -0.085 4.254 4.340 -0.000 0.000 0.200 229 Q C 2.267 178.330 176.000 0.106 0.000 0.974 229 Q CA 1.322 57.194 55.803 0.116 0.000 0.840 229 Q CB -0.277 28.557 28.738 0.160 0.000 0.898 229 Q HN 0.649 nan 8.270 nan 0.000 0.430 230 A N 0.604 123.495 122.820 0.118 0.000 1.930 230 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 230 A C 1.834 179.464 177.584 0.076 0.000 1.175 230 A CA 1.545 53.634 52.037 0.086 0.000 0.627 230 A CB -0.533 18.513 19.000 0.077 0.000 0.815 230 A HN 0.549 nan 8.150 nan 0.000 0.443 231 E N -0.231 120.027 120.200 0.098 0.000 2.047 231 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 231 E C 2.024 178.663 176.600 0.065 0.000 0.987 231 E CA 1.898 58.354 56.400 0.094 0.000 0.799 231 E CB -0.120 29.671 29.700 0.151 0.000 0.752 231 E HN 0.699 nan 8.360 nan 0.000 0.449 232 T N -3.627 110.963 114.554 0.060 0.000 3.054 232 T HA 0.205 4.554 4.350 -0.000 0.000 0.259 232 T C 1.612 176.329 174.700 0.029 0.000 1.092 232 T CA 0.702 62.822 62.100 0.033 0.000 1.121 232 T CB 0.259 69.137 68.868 0.017 0.000 0.912 232 T HN 0.376 nan 8.240 nan 0.000 0.489 233 G N 1.233 110.056 108.800 0.038 0.000 2.189 233 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 233 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 233 G C -0.196 174.718 174.900 0.024 0.000 0.975 233 G CA 0.381 45.500 45.100 0.033 0.000 0.644 233 G HN 0.676 nan 8.290 nan 0.000 0.537 234 E N -0.475 119.734 120.200 0.015 0.000 2.214 234 E HA 0.524 4.873 4.350 -0.000 0.000 0.274 234 E C 0.345 176.943 176.600 -0.003 0.000 0.977 234 E CA -0.990 55.407 56.400 -0.005 0.000 0.827 234 E CB 2.254 31.936 29.700 -0.029 0.000 1.130 234 E HN 0.060 nan 8.360 nan 0.000 0.394 235 V N 3.803 123.708 119.914 -0.016 0.000 2.599 235 V HA -0.001 4.119 4.120 -0.000 0.000 0.300 235 V C 0.271 176.341 176.094 -0.041 0.000 1.034 235 V CA 0.475 62.772 62.300 -0.004 0.000 1.115 235 V CB 0.148 31.966 31.823 -0.009 0.000 0.934 235 V HN 0.516 nan 8.190 nan 0.000 0.485 236 K N 3.036 123.438 120.400 0.004 0.000 2.340 236 K HA 0.820 5.139 4.320 -0.000 0.000 0.244 236 K C -0.012 176.634 176.600 0.077 0.000 0.973 236 K CA -0.441 55.840 56.287 -0.010 0.000 0.828 236 K CB 2.434 34.941 32.500 0.011 0.000 1.226 236 K HN 0.838 nan 8.250 nan 0.000 0.437 237 G N 0.239 109.144 108.800 0.175 0.000 2.690 237 G HA2 0.406 4.366 3.960 -0.000 0.000 0.291 237 G HA3 0.406 4.366 3.960 -0.000 0.000 0.291 237 G C -1.904 173.179 174.900 0.305 0.000 1.403 237 G CA -0.252 45.051 45.100 0.339 0.000 0.864 237 G HN 0.539 nan 8.290 nan 0.000 0.480 238 H N 0.479 119.589 119.070 0.066 0.000 2.877 238 H HA 0.321 4.877 4.556 -0.000 0.000 0.347 238 H C -1.210 174.095 175.328 -0.039 0.000 1.042 238 H CA -0.598 55.411 56.048 -0.065 0.000 1.276 238 H CB 1.441 31.176 29.762 -0.045 0.000 1.681 238 H HN 0.370 nan 8.280 nan 0.000 0.521 239 Y N 5.634 125.663 120.300 -0.452 0.000 2.640 239 Y HA 0.132 4.682 4.550 -0.001 0.000 0.355 239 Y C 0.704 176.518 175.900 -0.144 0.000 1.088 239 Y CA -0.624 57.290 58.100 -0.310 0.000 1.443 239 Y CB -0.617 37.602 38.460 -0.401 0.000 1.224 239 Y HN 0.323 nan 8.280 nan 0.000 0.516 240 L N 3.408 124.671 121.223 0.067 0.000 2.367 240 L HA 0.135 4.475 4.340 -0.000 0.000 0.275 240 L C 0.736 177.592 176.870 -0.024 0.000 1.129 240 L CA 0.095 54.852 54.840 -0.139 0.000 0.839 240 L CB 0.396 41.946 42.059 -0.848 0.000 1.133 240 L HN 0.610 nan 8.230 nan 0.000 0.453 241 N N 1.676 120.449 118.700 0.122 0.000 2.430 241 N HA 0.243 4.982 4.740 -0.000 0.000 0.265 241 N C 0.426 176.061 175.510 0.207 0.000 1.100 241 N CA -0.091 53.055 53.050 0.161 0.000 0.961 241 N CB 1.115 39.685 38.487 0.138 0.000 1.075 241 N HN 0.773 nan 8.380 nan 0.000 0.478 242 A N 2.635 125.536 122.820 0.136 0.000 2.348 242 A HA 0.105 4.425 4.320 -0.000 0.000 0.224 242 A C 0.625 178.229 177.584 0.035 0.000 1.227 242 A CA -0.083 51.984 52.037 0.050 0.000 0.885 242 A CB 0.076 19.076 19.000 -0.000 0.000 0.933 242 A HN 0.602 nan 8.150 nan 0.000 0.506 243 T N 1.732 116.361 114.554 0.126 0.000 2.933 243 T HA 0.442 4.792 4.350 -0.000 0.000 0.306 243 T C 0.231 174.924 174.700 -0.011 0.000 1.045 243 T CA 0.988 63.154 62.100 0.110 0.000 1.143 243 T CB 0.712 69.569 68.868 -0.018 0.000 1.003 243 T HN 0.842 nan 8.240 nan 0.000 0.540 244 A N 2.116 124.924 122.820 -0.021 0.000 2.557 244 A HA 0.786 5.105 4.320 -0.000 0.000 0.292 244 A C 1.256 178.807 177.584 -0.054 0.000 1.139 244 A CA -0.273 51.717 52.037 -0.079 0.000 0.665 244 A CB 0.438 19.344 19.000 -0.156 0.000 1.285 244 A HN 0.764 nan 8.150 nan 0.000 0.433 245 G N -0.649 108.114 108.800 -0.062 0.000 2.408 245 G HA2 0.326 4.286 3.960 -0.000 0.000 0.217 245 G HA3 0.326 4.286 3.960 -0.000 0.000 0.217 245 G C 0.727 175.602 174.900 -0.042 0.000 1.150 245 G CA 1.934 47.007 45.100 -0.045 0.000 0.776 245 G HN 1.701 nan 8.290 nan 0.000 0.542 246 T N -3.962 110.559 114.554 -0.056 0.000 2.906 246 T HA 0.326 4.676 4.350 -0.000 0.000 0.295 246 T C 0.948 175.606 174.700 -0.071 0.000 1.075 246 T CA -0.230 61.838 62.100 -0.053 0.000 1.005 246 T CB 1.436 70.273 68.868 -0.051 0.000 1.136 246 T HN -0.028 nan 8.240 nan 0.000 0.498 247 C N 0.748 120.009 119.300 -0.065 0.000 2.425 247 C HA -0.026 4.433 4.460 -0.000 0.000 0.277 247 C C 2.608 177.529 174.990 -0.114 0.000 1.280 247 C CA 0.800 59.765 59.018 -0.088 0.000 1.744 247 C CB -1.383 26.313 27.740 -0.072 0.000 1.989 247 C HN 1.013 nan 8.230 nan 0.000 0.491 248 E N 1.046 121.190 120.200 -0.094 0.000 2.058 248 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 248 E C 2.230 178.748 176.600 -0.137 0.000 0.997 248 E CA 1.074 57.414 56.400 -0.100 0.000 0.801 248 E CB -0.298 29.361 29.700 -0.069 0.000 0.746 248 E HN 0.537 nan 8.360 nan 0.000 0.450 249 E N 0.166 120.282 120.200 -0.142 0.000 2.051 249 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 249 E C 2.042 178.462 176.600 -0.299 0.000 0.991 249 E CA 0.849 57.124 56.400 -0.207 0.000 0.799 249 E CB -0.312 29.280 29.700 -0.181 0.000 0.748 249 E HN 0.323 nan 8.360 nan 0.000 0.449 250 M N -0.188 119.272 119.600 -0.234 0.000 2.082 250 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 250 M C 2.000 178.122 176.300 -0.297 0.000 1.069 250 M CA 1.466 56.619 55.300 -0.244 0.000 1.102 250 M CB -0.019 32.469 32.600 -0.185 0.000 1.336 250 M HN 0.043 nan 8.290 nan 0.000 0.404 251 M N -0.194 119.234 119.600 -0.287 0.000 2.175 251 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 251 M C 2.044 178.141 176.300 -0.339 0.000 1.063 251 M CA 1.619 56.705 55.300 -0.358 0.000 1.119 251 M CB -1.140 31.282 32.600 -0.296 0.000 1.377 251 M HN 0.260 nan 8.290 nan 0.000 0.415 252 K N 0.165 120.396 120.400 -0.282 0.000 2.063 252 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 252 K C 2.095 178.510 176.600 -0.309 0.000 1.048 252 K CA 1.447 57.599 56.287 -0.225 0.000 0.928 252 K CB 0.071 32.461 32.500 -0.184 0.000 0.713 252 K HN 0.219 nan 8.250 nan 0.000 0.442 253 R N -0.429 119.719 120.500 -0.586 0.000 2.075 253 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 253 R C 2.374 178.632 176.300 -0.070 0.000 1.126 253 R CA 1.171 56.864 56.100 -0.678 0.000 0.963 253 R CB -0.368 29.415 30.300 -0.862 0.000 0.858 253 R HN 0.205 nan 8.270 nan 0.000 0.435 254 A N 1.229 123.965 122.820 -0.142 0.000 1.883 254 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 254 A C 1.445 179.057 177.584 0.046 0.000 1.186 254 A CA 1.017 53.020 52.037 -0.058 0.000 0.624 254 A CB -0.613 18.214 19.000 -0.288 0.000 0.822 254 A HN 0.068 nan 8.150 nan 0.000 0.444 258 K N 0.651 121.182 120.400 0.218 0.000 2.032 258 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 258 K C 1.585 178.280 176.600 0.158 0.000 1.048 258 K CA 2.111 58.509 56.287 0.185 0.000 0.927 258 K CB -0.162 32.471 32.500 0.222 0.000 0.712 258 K HN 0.469 nan 8.250 nan 0.000 0.441 259 E N 0.470 120.771 120.200 0.167 0.000 2.160 259 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 259 E C 1.832 178.513 176.600 0.135 0.000 0.991 259 E CA 0.964 57.445 56.400 0.136 0.000 0.810 259 E CB 0.028 29.807 29.700 0.132 0.000 0.742 259 E HN 0.346 nan 8.360 nan 0.000 0.466 260 L N -1.244 120.080 121.223 0.168 0.000 2.554 260 L HA 0.115 4.455 4.340 -0.000 0.000 0.226 260 L C 1.547 178.553 176.870 0.228 0.000 1.137 260 L CA 0.432 55.384 54.840 0.187 0.000 0.863 260 L CB 0.002 42.178 42.059 0.195 0.000 0.985 260 L HN 0.391 nan 8.230 nan 0.000 0.451 261 G N 0.416 109.328 108.800 0.187 0.000 2.184 261 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.264 261 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.264 261 G C 0.499 175.537 174.900 0.230 0.000 0.975 261 G CA 0.353 45.572 45.100 0.200 0.000 0.642 261 G HN 0.295 nan 8.290 nan 0.000 0.536 262 V N -1.287 118.731 119.914 0.173 0.000 2.843 262 V HA 0.578 4.698 4.120 -0.000 0.000 0.305 262 V C 0.064 176.208 176.094 0.084 0.000 1.065 262 V CA -0.563 61.788 62.300 0.086 0.000 1.116 262 V CB 1.143 32.967 31.823 0.002 0.000 0.968 262 V HN 0.101 nan 8.190 nan 0.000 0.487 263 P HA 0.238 nan 4.420 nan 0.000 0.231 263 P C 0.128 177.452 177.300 0.040 0.000 1.168 263 P CA 0.722 63.865 63.100 0.073 0.000 0.779 263 P CB 0.424 32.191 31.700 0.112 0.000 0.844 264 I N -0.101 120.491 120.570 0.037 0.000 2.722 264 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 264 I C -1.159 174.950 176.117 -0.014 0.000 1.267 264 I CA -1.543 59.745 61.300 -0.020 0.000 1.036 264 I CB 2.250 40.205 38.000 -0.076 0.000 1.281 264 I HN -0.253 nan 8.210 nan 0.000 0.423 265 I N 4.487 125.031 120.570 -0.044 0.000 3.067 265 I HA 0.705 4.875 4.170 -0.000 0.000 0.312 265 I C -0.870 175.220 176.117 -0.045 0.000 1.073 265 I CA -0.975 60.313 61.300 -0.020 0.000 1.016 265 I CB 2.177 40.187 38.000 0.016 0.000 1.227 265 I HN 0.698 nan 8.210 nan 0.000 0.456 266 M N 1.696 121.316 119.600 0.032 0.000 2.644 266 M HA 0.653 5.133 4.480 -0.000 0.000 0.304 266 M C -1.380 175.008 176.300 0.147 0.000 1.215 266 M CA -0.522 54.826 55.300 0.080 0.000 0.871 266 M CB 2.130 34.838 32.600 0.181 0.000 1.740 266 M HN 0.776 nan 8.290 nan 0.000 0.464 267 H N -0.350 118.726 119.070 0.010 0.000 2.894 267 H HA 0.447 5.003 4.556 -0.001 0.000 0.367 267 H C -1.940 173.409 175.328 0.036 0.000 1.144 267 H CA -0.591 55.459 56.048 0.003 0.000 1.180 267 H CB 1.769 31.519 29.762 -0.021 0.000 1.758 267 H HN 0.778 nan 8.280 nan 0.000 0.541 268 D N 4.929 125.037 120.400 -0.486 0.000 2.453 268 D HA 0.003 4.643 4.640 -0.000 0.000 0.223 268 D C 0.775 176.755 176.300 -0.533 0.000 1.183 268 D CA -0.190 53.604 54.000 -0.344 0.000 0.933 268 D CB -0.278 40.366 40.800 -0.260 0.000 1.038 268 D HN 0.601 nan 8.370 nan 0.000 0.513 269 Y N 0.871 120.893 120.300 -0.462 0.000 2.333 269 Y HA -0.085 4.465 4.550 -0.000 0.000 0.290 269 Y C 1.212 176.829 175.900 -0.472 0.000 1.144 269 Y CA 0.913 58.777 58.100 -0.393 0.000 1.228 269 Y CB -0.524 37.786 38.460 -0.251 0.000 0.985 269 Y HN 0.237 nan 8.280 nan 0.000 0.542 270 L N 0.243 120.954 121.223 -0.853 0.000 2.168 270 L HA -0.033 4.307 4.340 -0.000 0.000 0.203 270 L C 2.621 179.233 176.870 -0.430 0.000 1.078 270 L CA 1.373 55.730 54.840 -0.805 0.000 0.780 270 L CB -0.739 40.881 42.059 -0.732 0.000 0.939 270 L HN 0.380 nan 8.230 nan 0.000 0.451 271 T N -3.203 111.160 114.554 -0.318 0.000 2.942 271 T HA -0.014 4.335 4.350 -0.000 0.000 0.265 271 T C 1.929 176.515 174.700 -0.190 0.000 1.062 271 T CA 0.822 62.796 62.100 -0.211 0.000 1.139 271 T CB -0.638 68.135 68.868 -0.157 0.000 0.883 271 T HN 0.312 nan 8.240 nan 0.000 0.468 272 G N 1.623 110.273 108.800 -0.250 0.000 2.404 272 G HA2 0.393 4.352 3.960 -0.000 0.000 0.215 272 G HA3 0.393 4.352 3.960 -0.000 0.000 0.215 272 G C 0.881 175.746 174.900 -0.058 0.000 1.174 272 G CA 0.322 45.348 45.100 -0.124 0.000 0.780 272 G HN 1.290 nan 8.290 nan 0.000 0.537 273 G N -2.156 106.551 108.800 -0.155 0.000 2.587 273 G HA2 0.001 3.961 3.960 -0.000 0.000 0.686 273 G HA3 0.001 3.961 3.960 -0.000 0.000 0.686 273 G C 0.138 174.977 174.900 -0.101 0.000 1.236 273 G CA -0.134 44.859 45.100 -0.179 0.000 0.820 273 G HN 0.104 nan 8.290 nan 0.000 0.645 274 F N 0.643 120.585 119.950 -0.013 0.000 2.161 274 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 274 F C 3.109 178.920 175.800 0.019 0.000 1.089 274 F CA 2.407 60.410 58.000 0.004 0.000 1.282 274 F CB -0.548 38.400 39.000 -0.086 0.000 1.010 274 F HN 0.556 nan 8.300 nan 0.000 0.485 275 T N -0.328 114.337 114.554 0.185 0.000 2.737 275 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 275 T C 2.311 177.045 174.700 0.057 0.000 1.038 275 T CA 1.337 63.498 62.100 0.103 0.000 1.144 275 T CB -0.677 68.232 68.868 0.068 0.000 0.866 275 T HN 0.277 nan 8.240 nan 0.000 0.434 276 A N 2.018 124.866 122.820 0.047 0.000 1.933 276 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 276 A C 2.259 179.803 177.584 -0.067 0.000 1.175 276 A CA 1.604 53.637 52.037 -0.008 0.000 0.628 276 A CB -0.765 18.250 19.000 0.026 0.000 0.814 276 A HN 0.539 nan 8.150 nan 0.000 0.444 277 N N -0.460 118.269 118.700 0.049 0.000 2.106 277 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 277 N C 1.604 177.115 175.510 0.003 0.000 1.029 277 N CA 2.030 55.095 53.050 0.025 0.000 0.848 277 N CB -0.189 38.443 38.487 0.241 0.000 1.007 277 N HN 0.426 nan 8.380 nan 0.000 0.423 278 T N 0.050 114.644 114.554 0.066 0.000 2.788 278 T HA -0.064 4.285 4.350 -0.000 0.000 0.268 278 T C 2.125 176.824 174.700 -0.001 0.000 1.044 278 T CA 1.124 63.251 62.100 0.046 0.000 1.139 278 T CB -0.315 68.593 68.868 0.066 0.000 0.867 278 T HN 0.179 nan 8.240 nan 0.000 0.454 279 S N 1.078 116.766 115.700 -0.019 0.000 2.359 279 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 279 S C 1.919 176.501 174.600 -0.030 0.000 1.035 279 S CA 0.879 59.061 58.200 -0.030 0.000 1.018 279 S CB -0.471 62.697 63.200 -0.052 0.000 0.876 279 S HN 0.280 nan 8.310 nan 0.000 0.448 280 L N 1.636 122.803 121.223 -0.094 0.000 2.056 280 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 280 L C 2.324 179.188 176.870 -0.011 0.000 1.078 280 L CA 1.831 56.614 54.840 -0.094 0.000 0.749 280 L CB -1.071 40.820 42.059 -0.279 0.000 0.901 280 L HN 0.245 nan 8.230 nan 0.000 0.433 281 A N -0.280 122.516 122.820 -0.039 0.000 1.908 281 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 281 A C 2.277 179.839 177.584 -0.037 0.000 1.181 281 A CA 2.174 54.186 52.037 -0.041 0.000 0.627 281 A CB -0.884 18.090 19.000 -0.044 0.000 0.818 281 A HN 0.498 nan 8.150 nan 0.000 0.445 282 I N -2.150 118.412 120.570 -0.014 0.000 2.286 282 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 282 I C 2.430 178.548 176.117 0.001 0.000 1.115 282 I CA 1.584 62.873 61.300 -0.018 0.000 1.392 282 I CB -0.354 37.641 38.000 -0.008 0.000 1.065 282 I HN 0.538 nan 8.210 nan 0.000 0.418 283 Y N 0.969 121.230 120.300 -0.065 0.000 2.181 283 Y HA -0.327 4.223 4.550 0.000 0.000 0.288 283 Y C 2.694 178.571 175.900 -0.039 0.000 1.146 283 Y CA 1.584 59.655 58.100 -0.049 0.000 1.164 283 Y CB -0.455 37.973 38.460 -0.053 0.000 0.982 283 Y HN 0.190 nan 8.280 nan 0.000 0.515 284 C N 0.118 119.427 119.300 0.014 0.000 2.429 284 C HA -0.141 4.318 4.460 -0.000 0.000 0.277 284 C C 2.738 177.650 174.990 -0.130 0.000 1.262 284 C CA 1.400 60.395 59.018 -0.038 0.000 1.733 284 C CB -1.228 26.523 27.740 0.018 0.000 2.010 284 C HN 0.580 nan 8.230 nan 0.000 0.483 285 R N 1.833 122.217 120.500 -0.194 0.000 2.091 285 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 285 R C 1.380 177.584 176.300 -0.160 0.000 1.136 285 R CA 2.061 58.014 56.100 -0.245 0.000 0.959 285 R CB -0.876 29.306 30.300 -0.197 0.000 0.856 285 R HN 0.439 nan 8.270 nan 0.000 0.437 286 D N -0.572 119.717 120.400 -0.185 0.000 2.347 286 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 286 D C 0.375 176.541 176.300 -0.224 0.000 0.976 286 D CA 0.742 54.632 54.000 -0.184 0.000 0.884 286 D CB 0.087 40.778 40.800 -0.182 0.000 0.915 286 D HN 0.362 nan 8.370 nan 0.000 0.526 287 N N -0.894 117.639 118.700 -0.278 0.000 2.143 287 N HA 0.110 4.850 4.740 -0.000 0.000 0.222 287 N C 0.712 176.177 175.510 -0.076 0.000 1.264 287 N CA 0.356 53.262 53.050 -0.241 0.000 0.897 287 N CB 1.958 40.153 38.487 -0.488 0.000 1.092 287 N HN 0.045 nan 8.380 nan 0.000 0.516 288 G N 1.899 110.715 108.800 0.028 0.000 2.246 288 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.273 288 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.273 288 G C -0.236 174.727 174.900 0.106 0.000 1.055 288 G CA 0.053 45.246 45.100 0.155 0.000 0.851 288 G HN 0.228 nan 8.290 nan 0.000 0.500 289 L N -0.206 121.121 121.223 0.173 0.000 2.307 289 L HA 0.554 4.894 4.340 -0.000 0.000 0.282 289 L C 1.121 178.083 176.870 0.154 0.000 1.051 289 L CA -1.035 53.870 54.840 0.109 0.000 0.804 289 L CB 1.240 43.361 42.059 0.103 0.000 1.197 289 L HN 0.098 nan 8.230 nan 0.000 0.431 290 L N 3.788 125.017 121.223 0.011 0.000 2.397 290 L HA 0.242 4.582 4.340 -0.000 0.000 0.271 290 L C -0.439 176.372 176.870 -0.098 0.000 1.148 290 L CA -0.358 54.469 54.840 -0.023 0.000 0.825 290 L CB 1.134 43.106 42.059 -0.145 0.000 1.117 290 L HN 0.376 nan 8.230 nan 0.000 0.456 291 L N 3.209 124.350 121.223 -0.136 0.000 2.316 291 L HA 0.342 4.682 4.340 -0.000 0.000 0.280 291 L C -0.567 176.108 176.870 -0.325 0.000 1.006 291 L CA -0.231 54.503 54.840 -0.176 0.000 0.836 291 L CB 1.013 43.015 42.059 -0.095 0.000 1.221 291 L HN 0.446 nan 8.230 nan 0.000 0.418 292 H N 5.512 124.271 119.070 -0.519 0.000 2.552 292 H HA 0.542 5.098 4.556 -0.000 0.000 0.311 292 H C -0.838 174.337 175.328 -0.254 0.000 1.071 292 H CA -0.559 55.125 56.048 -0.607 0.000 1.307 292 H CB 0.690 29.758 29.762 -1.158 0.000 1.416 292 H HN 0.494 nan 8.280 nan 0.000 0.464 293 I N 5.838 126.053 120.570 -0.591 0.000 2.321 293 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 293 I C 0.261 176.181 176.117 -0.328 0.000 0.998 293 I CA -0.373 60.719 61.300 -0.348 0.000 1.227 293 I CB 0.662 38.441 38.000 -0.368 0.000 1.368 293 I HN 0.726 nan 8.210 nan 0.000 0.466 294 H N 7.564 126.502 119.070 -0.220 0.000 2.473 294 H HA 0.326 4.882 4.556 -0.000 0.000 0.327 294 H C 0.376 175.631 175.328 -0.121 0.000 1.105 294 H CA -0.458 55.408 56.048 -0.302 0.000 1.280 294 H CB 1.460 31.084 29.762 -0.230 0.000 1.450 294 H HN 0.596 nan 8.280 nan 0.000 0.492 295 R N 3.066 123.342 120.500 -0.374 0.000 2.480 295 R HA 0.404 4.744 4.340 -0.000 0.000 0.277 295 R C 0.186 176.500 176.300 0.023 0.000 1.008 295 R CA -0.381 55.707 56.100 -0.020 0.000 1.090 295 R CB -0.028 30.225 30.300 -0.079 0.000 1.234 295 R HN 0.389 nan 8.270 nan 0.000 0.549 296 A N 1.667 124.627 122.820 0.232 0.000 2.608 296 A HA -0.021 4.299 4.320 -0.000 0.000 0.239 296 A C 0.979 178.591 177.584 0.048 0.000 1.018 296 A CA 1.107 53.269 52.037 0.209 0.000 0.766 296 A CB -0.231 18.849 19.000 0.132 0.000 0.928 296 A HN 0.856 nan 8.150 nan 0.000 0.512 297 M N 0.365 119.993 119.600 0.047 0.000 3.007 297 M HA -0.296 4.183 4.480 -0.000 0.000 0.210 297 M C 1.074 177.353 176.300 -0.034 0.000 0.585 297 M CA 1.852 57.134 55.300 -0.030 0.000 0.804 297 M CB -2.068 30.485 32.600 -0.079 0.000 2.870 297 M HN 1.282 nan 8.290 nan 0.000 0.297 298 H N -0.809 118.216 119.070 -0.074 0.000 2.352 298 H HA 0.149 4.705 4.556 -0.000 0.000 0.299 298 H C 1.760 177.072 175.328 -0.026 0.000 1.097 298 H CA 2.079 58.111 56.048 -0.027 0.000 1.311 298 H CB -0.545 29.247 29.762 0.049 0.000 1.377 298 H HN 0.498 nan 8.280 nan 0.000 0.504 299 A N 1.230 123.547 122.820 -0.837 0.000 2.019 299 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 299 A C 2.550 179.985 177.584 -0.249 0.000 1.164 299 A CA 1.360 53.025 52.037 -0.620 0.000 0.644 299 A CB -0.847 17.813 19.000 -0.566 0.000 0.805 299 A HN 0.373 nan 8.150 nan 0.000 0.449 300 V N -0.439 119.374 119.914 -0.168 0.000 2.568 300 V HA -0.245 3.875 4.120 -0.000 0.000 0.253 300 V C 2.149 178.215 176.094 -0.048 0.000 1.072 300 V CA 2.124 64.374 62.300 -0.083 0.000 1.084 300 V CB -0.557 31.228 31.823 -0.062 0.000 0.676 300 V HN 0.610 nan 8.190 nan 0.000 0.469 301 I N 0.279 120.816 120.570 -0.054 0.000 3.339 301 I HA 0.025 4.195 4.170 -0.000 0.000 0.285 301 I C 1.680 177.796 176.117 -0.002 0.000 1.201 301 I CA 0.872 62.159 61.300 -0.022 0.000 1.434 301 I CB 0.050 38.044 38.000 -0.010 0.000 1.152 301 I HN 0.427 nan 8.210 nan 0.000 0.443 302 D N -0.372 120.020 120.400 -0.014 0.000 2.433 302 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 302 D C 1.867 178.164 176.300 -0.005 0.000 1.114 302 D CA 0.010 54.017 54.000 0.013 0.000 0.837 302 D CB 0.027 40.870 40.800 0.071 0.000 0.984 302 D HN -0.089 nan 8.370 nan 0.000 0.505 303 R N 0.394 120.873 120.500 -0.035 0.000 2.062 303 R HA 0.021 4.360 4.340 -0.000 0.000 0.231 303 R C 0.516 176.839 176.300 0.038 0.000 1.136 303 R CA 1.280 57.366 56.100 -0.024 0.000 0.948 303 R CB -0.366 29.897 30.300 -0.062 0.000 0.845 303 R HN 0.049 nan 8.270 nan 0.000 0.430 304 Q N 0.394 120.230 119.800 0.060 0.000 2.340 304 Q HA 0.065 4.405 4.340 -0.000 0.000 0.249 304 Q C 0.523 176.598 176.000 0.125 0.000 0.957 304 Q CA 0.166 56.023 55.803 0.090 0.000 0.882 304 Q CB 1.129 29.928 28.738 0.101 0.000 1.235 304 Q HN 0.264 nan 8.270 nan 0.000 0.439 305 R N 2.053 122.625 120.500 0.121 0.000 2.119 305 R HA -0.084 4.256 4.340 -0.000 0.000 0.222 305 R C 1.293 177.672 176.300 0.131 0.000 1.088 305 R CA 1.217 57.398 56.100 0.134 0.000 0.984 305 R CB 0.271 30.637 30.300 0.110 0.000 0.884 305 R HN 0.669 nan 8.270 nan 0.000 0.447 306 N N -0.919 117.861 118.700 0.134 0.000 2.376 306 N HA -0.125 4.615 4.740 -0.000 0.000 0.177 306 N C -0.250 175.393 175.510 0.221 0.000 1.024 306 N CA 0.871 54.007 53.050 0.144 0.000 0.893 306 N CB 0.014 38.572 38.487 0.118 0.000 0.980 306 N HN 0.244 nan 8.380 nan 0.000 0.439 307 H N -1.265 117.875 119.070 0.118 0.000 2.954 307 H HA 0.585 5.141 4.556 -0.000 0.000 0.361 307 H C 0.113 175.557 175.328 0.192 0.000 1.122 307 H CA 0.474 56.623 56.048 0.167 0.000 1.217 307 H CB 1.576 31.423 29.762 0.143 0.000 1.776 307 H HN 0.388 nan 8.280 nan 0.000 0.533 308 G N 2.357 111.061 108.800 -0.159 0.000 2.265 308 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.246 308 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.246 308 G C -1.536 173.380 174.900 0.027 0.000 1.299 308 G CA -0.355 44.693 45.100 -0.086 0.000 1.117 308 G HN 0.641 nan 8.290 nan 0.000 0.485 309 I N 1.010 121.571 120.570 -0.016 0.000 2.498 309 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 309 I C 0.342 176.513 176.117 0.091 0.000 1.032 309 I CA -0.891 60.415 61.300 0.011 0.000 1.073 309 I CB 1.981 39.928 38.000 -0.087 0.000 1.251 309 I HN 0.671 nan 8.210 nan 0.000 0.426 310 H N 4.770 123.867 119.070 0.045 0.000 2.707 310 H HA 0.026 4.582 4.556 -0.000 0.000 0.359 310 H C 0.453 175.865 175.328 0.141 0.000 1.113 310 H CA 0.429 56.547 56.048 0.117 0.000 1.422 310 H CB 1.093 30.925 29.762 0.115 0.000 1.443 310 H HN 0.662 nan 8.280 nan 0.000 0.591 311 F N 4.998 124.695 119.950 -0.422 0.000 2.202 311 F HA -0.229 4.297 4.527 -0.001 0.000 0.301 311 F C 2.634 178.349 175.800 -0.142 0.000 1.082 311 F CA 1.778 59.619 58.000 -0.266 0.000 1.313 311 F CB -0.088 38.653 39.000 -0.432 0.000 1.024 311 F HN 0.675 nan 8.300 nan 0.000 0.495 312 R N -0.377 120.201 120.500 0.130 0.000 2.127 312 R HA -0.126 4.213 4.340 -0.000 0.000 0.238 312 R C 1.806 178.094 176.300 -0.021 0.000 1.134 312 R CA 1.932 58.100 56.100 0.112 0.000 0.975 312 R CB -1.434 29.150 30.300 0.473 0.000 0.865 312 R HN 0.294 nan 8.270 nan 0.000 0.447 313 V N 1.987 121.922 119.914 0.035 0.000 2.379 313 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 313 V C 2.443 178.566 176.094 0.049 0.000 1.044 313 V CA 1.506 63.827 62.300 0.035 0.000 1.036 313 V CB -0.386 31.444 31.823 0.012 0.000 0.664 313 V HN 0.287 nan 8.190 nan 0.000 0.453 314 L N 0.093 121.293 121.223 -0.039 0.000 2.265 314 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 314 L C 2.529 179.278 176.870 -0.202 0.000 1.117 314 L CA 1.244 56.101 54.840 0.028 0.000 0.782 314 L CB -0.703 41.370 42.059 0.024 0.000 0.914 314 L HN 0.370 nan 8.230 nan 0.000 0.441 315 A N -0.070 122.402 122.820 -0.580 0.000 1.903 315 A HA -0.082 4.238 4.320 -0.000 0.000 0.213 315 A C 2.333 179.805 177.584 -0.187 0.000 1.185 315 A CA 0.696 52.415 52.037 -0.531 0.000 0.628 315 A CB -0.105 18.473 19.000 -0.704 0.000 0.830 315 A HN 0.208 nan 8.150 nan 0.000 0.446 316 K N 0.112 120.499 120.400 -0.023 0.000 2.032 316 K HA -0.117 4.202 4.320 -0.000 0.000 0.209 316 K C 2.328 178.977 176.600 0.081 0.000 1.048 316 K CA 1.196 57.602 56.287 0.199 0.000 0.927 316 K CB -0.364 32.286 32.500 0.250 0.000 0.712 316 K HN 0.418 nan 8.250 nan 0.000 0.441 317 A N 2.139 124.982 122.820 0.039 0.000 1.873 317 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 317 A C 2.084 179.660 177.584 -0.013 0.000 1.193 317 A CA 1.305 53.313 52.037 -0.049 0.000 0.629 317 A CB -0.731 18.232 19.000 -0.062 0.000 0.826 317 A HN 0.281 nan 8.150 nan 0.000 0.447 318 L N -0.387 120.848 121.223 0.019 0.000 2.083 318 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 318 L C 2.474 179.216 176.870 -0.213 0.000 1.083 318 L CA 2.380 57.115 54.840 -0.174 0.000 0.752 318 L CB -0.815 40.860 42.059 -0.640 0.000 0.899 318 L HN 0.576 nan 8.230 nan 0.000 0.433 319 R N -0.593 119.764 120.500 -0.238 0.000 2.120 319 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 319 R C 2.265 178.415 176.300 -0.249 0.000 1.123 319 R CA 1.580 57.486 56.100 -0.323 0.000 0.975 319 R CB -0.080 29.874 30.300 -0.577 0.000 0.866 319 R HN 0.357 nan 8.270 nan 0.000 0.446 320 M N -0.934 118.543 119.600 -0.206 0.000 2.193 320 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 320 M C 2.439 178.720 176.300 -0.033 0.000 1.071 320 M CA 1.432 56.569 55.300 -0.271 0.000 1.140 320 M CB -0.045 32.138 32.600 -0.695 0.000 1.369 320 M HN 0.126 nan 8.290 nan 0.000 0.423 321 S N -0.248 115.453 115.700 0.003 0.000 2.356 321 S HA 0.064 4.534 4.470 -0.000 0.000 0.223 321 S C 0.830 175.461 174.600 0.053 0.000 1.032 321 S CA 1.322 59.593 58.200 0.118 0.000 1.005 321 S CB -0.305 63.038 63.200 0.239 0.000 0.867 321 S HN 0.643 nan 8.310 nan 0.000 0.449 322 G N -1.611 107.168 108.800 -0.035 0.000 2.957 322 G HA2 0.432 4.392 3.960 -0.000 0.000 0.636 322 G HA3 0.432 4.392 3.960 -0.000 0.000 0.636 322 G C -0.359 174.466 174.900 -0.126 0.000 1.401 322 G CA -0.439 44.613 45.100 -0.079 0.000 0.941 322 G HN 1.032 nan 8.290 nan 0.000 0.610 323 G N 0.492 109.198 108.800 -0.157 0.000 2.655 323 G HA2 0.589 4.548 3.960 -0.000 0.000 0.296 323 G HA3 0.589 4.548 3.960 -0.000 0.000 0.296 323 G C -0.215 174.598 174.900 -0.145 0.000 1.485 323 G CA 0.180 45.175 45.100 -0.176 0.000 0.869 323 G HN 0.357 nan 8.290 nan 0.000 0.540 324 D N -0.382 119.944 120.400 -0.123 0.000 2.277 324 D HA 0.101 4.741 4.640 -0.000 0.000 0.209 324 D C 0.382 176.757 176.300 0.124 0.000 0.970 324 D CA 1.036 55.020 54.000 -0.028 0.000 0.874 324 D CB 0.301 41.080 40.800 -0.036 0.000 0.982 324 D HN 0.558 nan 8.370 nan 0.000 0.504 325 H N -0.680 118.257 119.070 -0.221 0.000 2.690 325 H HA 0.525 5.081 4.556 -0.000 0.000 0.368 325 H C -1.158 173.958 175.328 -0.353 0.000 1.150 325 H CA -1.038 54.854 56.048 -0.260 0.000 1.174 325 H CB 2.737 32.330 29.762 -0.282 0.000 1.684 325 H HN -0.123 nan 8.280 nan 0.000 0.538 326 L N 2.162 123.290 121.223 -0.159 0.000 2.464 326 L HA 0.224 4.564 4.340 -0.000 0.000 0.266 326 L C -0.728 176.083 176.870 -0.098 0.000 0.965 326 L CA -0.422 54.314 54.840 -0.173 0.000 0.833 326 L CB 1.564 43.522 42.059 -0.168 0.000 1.296 326 L HN 0.705 nan 8.230 nan 0.000 0.405 327 H N 2.802 121.717 119.070 -0.259 0.000 3.004 327 H HA 0.110 4.666 4.556 -0.000 0.000 0.316 327 H C 0.421 175.618 175.328 -0.218 0.000 1.014 327 H CA 0.860 56.755 56.048 -0.256 0.000 1.454 327 H CB 0.953 30.490 29.762 -0.375 0.000 1.472 327 H HN 0.786 nan 8.280 nan 0.000 0.571 328 S N 2.148 117.789 115.700 -0.097 0.000 2.523 328 S HA 0.269 4.739 4.470 -0.000 0.000 0.217 328 S C 1.066 175.718 174.600 0.087 0.000 0.996 328 S CA 0.082 58.341 58.200 0.097 0.000 0.921 328 S CB 0.979 64.345 63.200 0.277 0.000 0.829 328 S HN 1.047 nan 8.310 nan 0.000 0.495 329 G N 1.102 109.860 108.800 -0.070 0.000 2.756 329 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.678 329 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.678 329 G C 0.284 175.224 174.900 0.067 0.000 1.349 329 G CA 0.086 45.174 45.100 -0.020 0.000 0.847 329 G HN 0.913 nan 8.290 nan 0.000 0.548 330 T N -3.098 111.477 114.554 0.036 0.000 2.969 330 T HA 0.447 4.797 4.350 -0.000 0.000 0.250 330 T C 1.884 176.634 174.700 0.083 0.000 1.021 330 T CA 1.358 63.492 62.100 0.058 0.000 1.003 330 T CB 0.433 69.233 68.868 -0.113 0.000 1.040 330 T HN 2.250 nan 8.240 nan 0.000 0.492 331 V N 0.923 120.864 119.914 0.046 0.000 0.516 331 V HA -0.345 3.775 4.120 -0.000 0.000 0.092 331 V C 2.160 178.272 176.094 0.029 0.000 2.243 331 V CA 2.091 64.408 62.300 0.028 0.000 3.573 331 V CB -1.954 29.868 31.823 -0.002 0.000 0.862 331 V HN 0.670 nan 8.190 nan 0.000 0.902 332 V N -1.038 118.884 119.914 0.013 0.000 3.506 332 V HA 0.591 4.711 4.120 -0.000 0.000 0.263 332 V C 1.354 177.417 176.094 -0.052 0.000 1.203 332 V CA 1.538 63.863 62.300 0.043 0.000 1.133 332 V CB -0.265 31.630 31.823 0.119 0.000 0.802 332 V HN 0.939 nan 8.190 nan 0.000 0.459 333 G N 1.362 110.030 108.800 -0.219 0.000 2.531 333 G HA2 0.250 4.210 3.960 -0.000 0.000 0.253 333 G HA3 0.250 4.210 3.960 -0.000 0.000 0.253 333 G C 0.748 175.270 174.900 -0.629 0.000 1.439 333 G CA 0.031 44.869 45.100 -0.436 0.000 1.056 333 G HN 0.526 nan 8.290 nan 0.000 0.555 334 K N -1.213 118.631 120.400 -0.925 0.000 2.432 334 K HA 0.175 4.495 4.320 -0.000 0.000 0.196 334 K C -0.004 176.390 176.600 -0.343 0.000 1.038 334 K CA 0.358 56.075 56.287 -0.950 0.000 0.986 334 K CB -0.224 31.788 32.500 -0.813 0.000 0.782 334 K HN 0.147 nan 8.250 nan 0.000 0.485 335 L N 2.274 123.357 121.223 -0.233 0.000 2.342 335 L HA 0.261 4.601 4.340 -0.000 0.000 0.271 335 L C -0.409 176.427 176.870 -0.057 0.000 1.008 335 L CA -1.245 53.527 54.840 -0.113 0.000 0.818 335 L CB 1.849 43.860 42.059 -0.080 0.000 1.296 335 L HN 0.126 nan 8.230 nan 0.000 0.427 336 E N 0.960 121.143 120.200 -0.029 0.000 2.436 336 E HA 0.489 4.839 4.350 -0.000 0.000 0.262 336 E C -0.020 176.601 176.600 0.035 0.000 1.063 336 E CA 0.063 56.470 56.400 0.010 0.000 0.944 336 E CB 0.758 30.462 29.700 0.006 0.000 0.950 336 E HN 0.744 nan 8.360 nan 0.000 0.444 337 G N 2.140 110.975 108.800 0.060 0.000 1.882 337 G HA2 0.074 4.034 3.960 -0.000 0.000 0.256 337 G HA3 0.074 4.034 3.960 -0.000 0.000 0.256 337 G C -1.253 173.687 174.900 0.067 0.000 2.065 337 G CA -0.781 44.370 45.100 0.085 0.000 0.882 337 G HN 0.565 nan 8.290 nan 0.000 0.574 338 E N 2.280 122.528 120.200 0.080 0.000 2.373 338 E HA 0.167 4.517 4.350 -0.000 0.000 0.267 338 E C 1.367 177.966 176.600 -0.002 0.000 1.032 338 E CA -0.605 55.826 56.400 0.052 0.000 0.889 338 E CB 1.056 30.801 29.700 0.076 0.000 0.984 338 E HN 0.581 nan 8.360 nan 0.000 0.425 339 R N 3.291 123.776 120.500 -0.024 0.000 2.073 339 R HA -0.143 4.196 4.340 -0.000 0.000 0.234 339 R C 1.423 177.656 176.300 -0.112 0.000 1.134 339 R CA 1.300 57.352 56.100 -0.079 0.000 0.952 339 R CB 0.104 30.367 30.300 -0.062 0.000 0.850 339 R HN 0.491 nan 8.270 nan 0.000 0.433 340 E N 0.241 120.399 120.200 -0.070 0.000 2.047 340 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 340 E C 2.099 178.645 176.600 -0.090 0.000 0.987 340 E CA 0.965 57.322 56.400 -0.072 0.000 0.799 340 E CB -0.375 29.301 29.700 -0.040 0.000 0.752 340 E HN 0.169 nan 8.360 nan 0.000 0.449 341 V N 1.328 121.208 119.914 -0.056 0.000 2.343 341 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 341 V C 2.330 178.233 176.094 -0.319 0.000 1.051 341 V CA 2.154 64.439 62.300 -0.025 0.000 1.036 341 V CB -0.636 31.283 31.823 0.160 0.000 0.654 341 V HN 0.307 nan 8.190 nan 0.000 0.451 342 T N 0.111 114.367 114.554 -0.497 0.000 2.708 342 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 342 T C 1.847 176.122 174.700 -0.708 0.000 1.037 342 T CA 1.578 63.065 62.100 -1.021 0.000 1.146 342 T CB -0.307 68.278 68.868 -0.472 0.000 0.865 342 T HN 0.302 nan 8.240 nan 0.000 0.435 343 L N 0.560 121.562 121.223 -0.368 0.000 2.127 343 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 343 L C 2.789 179.579 176.870 -0.134 0.000 1.089 343 L CA 1.227 55.933 54.840 -0.224 0.000 0.757 343 L CB -0.685 41.276 42.059 -0.163 0.000 0.899 343 L HN 0.355 nan 8.230 nan 0.000 0.434 344 G N 0.402 109.118 108.800 -0.139 0.000 2.424 344 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.214 344 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.214 344 G C 1.295 176.268 174.900 0.121 0.000 1.202 344 G CA 0.802 45.903 45.100 0.001 0.000 0.793 344 G HN 0.444 nan 8.290 nan 0.000 0.534 345 F N 1.192 121.254 119.950 0.185 0.000 2.325 345 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 345 F C 2.203 178.114 175.800 0.184 0.000 1.090 345 F CA 0.130 58.257 58.000 0.212 0.000 1.392 345 F CB -1.086 38.087 39.000 0.289 0.000 1.053 345 F HN 0.003 nan 8.300 nan 0.000 0.521 346 V N 1.376 121.491 119.914 0.335 0.000 2.343 346 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 346 V C 2.182 178.395 176.094 0.198 0.000 1.051 346 V CA 2.346 64.822 62.300 0.292 0.000 1.036 346 V CB -0.763 31.190 31.823 0.217 0.000 0.654 346 V HN 0.248 nan 8.190 nan 0.000 0.451 347 D N -0.047 120.448 120.400 0.157 0.000 2.144 347 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 347 D C 2.123 178.541 176.300 0.197 0.000 0.984 347 D CA 1.089 55.178 54.000 0.148 0.000 0.834 347 D CB -0.233 40.642 40.800 0.124 0.000 0.955 347 D HN 0.338 nan 8.370 nan 0.000 0.465 348 L N -0.140 121.239 121.223 0.259 0.000 2.131 348 L HA -0.132 4.207 4.340 -0.000 0.000 0.210 348 L C 2.481 179.472 176.870 0.203 0.000 1.092 348 L CA 0.793 55.851 54.840 0.364 0.000 0.759 348 L CB -0.258 42.030 42.059 0.381 0.000 0.903 348 L HN 0.060 nan 8.230 nan 0.000 0.435 349 M N -1.276 118.382 119.600 0.097 0.000 2.156 349 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 349 M C 2.318 178.521 176.300 -0.161 0.000 1.067 349 M CA 1.660 56.912 55.300 -0.080 0.000 1.131 349 M CB -0.154 32.463 32.600 0.029 0.000 1.368 349 M HN 0.122 nan 8.290 nan 0.000 0.416 350 R N -0.461 120.017 120.500 -0.037 0.000 2.175 350 R HA 0.083 4.423 4.340 -0.000 0.000 0.202 350 R C -0.061 176.228 176.300 -0.020 0.000 1.018 350 R CA 0.380 56.461 56.100 -0.032 0.000 1.029 350 R CB 0.215 30.536 30.300 0.034 0.000 0.959 350 R HN 0.283 nan 8.270 nan 0.000 0.480 351 D N 0.084 120.512 120.400 0.047 0.000 2.340 351 D HA 0.020 4.660 4.640 -0.000 0.000 0.251 351 D C 0.213 176.630 176.300 0.196 0.000 1.080 351 D CA -0.172 53.901 54.000 0.122 0.000 0.971 351 D CB 1.335 42.234 40.800 0.165 0.000 1.137 351 D HN -0.132 nan 8.370 nan 0.000 0.475 352 D N -0.931 119.603 120.400 0.223 0.000 2.194 352 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 352 D C -0.594 175.949 176.300 0.406 0.000 0.964 352 D CA 0.794 54.974 54.000 0.300 0.000 0.846 352 D CB 0.259 41.191 40.800 0.220 0.000 0.962 352 D HN 0.314 nan 8.370 nan 0.000 0.490 353 Y N -0.432 119.988 120.300 0.200 0.000 2.396 353 Y HA 0.445 4.995 4.550 -0.000 0.000 0.332 353 Y C -1.591 174.386 175.900 0.129 0.000 1.034 353 Y CA -0.937 57.245 58.100 0.136 0.000 1.057 353 Y CB 1.715 40.227 38.460 0.085 0.000 1.220 353 Y HN -0.362 nan 8.280 nan 0.000 0.440 354 V N 5.974 125.870 119.914 -0.029 0.000 2.409 354 V HA 0.294 4.414 4.120 -0.000 0.000 0.290 354 V C -0.535 175.546 176.094 -0.022 0.000 1.017 354 V CA -0.996 61.342 62.300 0.063 0.000 0.841 354 V CB 1.404 33.294 31.823 0.111 0.000 1.003 354 V HN 0.673 nan 8.190 nan 0.000 0.426 355 E N 2.853 123.114 120.200 0.102 0.000 2.373 355 E HA 0.115 4.464 4.350 -0.000 0.000 0.267 355 E C 0.121 176.750 176.600 0.048 0.000 1.032 355 E CA -0.410 56.048 56.400 0.097 0.000 0.889 355 E CB 1.107 30.892 29.700 0.142 0.000 0.984 355 E HN 0.606 nan 8.360 nan 0.000 0.425 356 K N 2.148 122.569 120.400 0.036 0.000 2.550 356 K HA -0.155 4.165 4.320 -0.000 0.000 0.280 356 K C -0.533 176.060 176.600 -0.010 0.000 0.987 356 K CA 0.737 57.031 56.287 0.011 0.000 1.048 356 K CB 0.315 32.818 32.500 0.006 0.000 0.879 356 K HN 0.312 nan 8.250 nan 0.000 0.491 357 D N 3.748 124.121 120.400 -0.044 0.000 2.351 357 D HA 0.151 4.791 4.640 -0.000 0.000 0.235 357 D C 0.157 176.385 176.300 -0.121 0.000 1.331 357 D CA -0.499 53.466 54.000 -0.059 0.000 0.959 357 D CB 0.549 41.335 40.800 -0.023 0.000 1.432 357 D HN 0.532 nan 8.370 nan 0.000 0.544 358 R N 0.870 121.264 120.500 -0.177 0.000 2.152 358 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 358 R C 1.875 178.056 176.300 -0.198 0.000 1.117 358 R CA 1.236 57.168 56.100 -0.280 0.000 0.981 358 R CB -0.622 29.507 30.300 -0.285 0.000 0.870 358 R HN 0.521 nan 8.270 nan 0.000 0.451 359 S N 0.289 115.917 115.700 -0.119 0.000 2.442 359 S HA -0.093 4.377 4.470 -0.000 0.000 0.236 359 S C 1.661 176.220 174.600 -0.069 0.000 1.007 359 S CA 0.820 58.971 58.200 -0.081 0.000 0.965 359 S CB -0.017 63.151 63.200 -0.055 0.000 0.773 359 S HN 0.278 nan 8.310 nan 0.000 0.504 360 R N -0.093 120.363 120.500 -0.072 0.000 2.472 360 R HA 0.315 4.655 4.340 -0.000 0.000 0.279 360 R C 1.300 177.581 176.300 -0.031 0.000 0.953 360 R CA 0.373 56.447 56.100 -0.044 0.000 1.088 360 R CB 0.322 30.605 30.300 -0.027 0.000 1.197 360 R HN 0.542 nan 8.270 nan 0.000 0.536 361 G N 1.546 110.287 108.800 -0.098 0.000 2.148 361 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 361 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 361 G C 0.165 175.069 174.900 0.008 0.000 0.981 361 G CA -0.095 44.954 45.100 -0.085 0.000 0.670 361 G HN 0.276 nan 8.290 nan 0.000 0.528 362 I N 1.131 121.676 120.570 -0.041 0.000 2.294 362 I HA 0.287 4.456 4.170 -0.000 0.000 0.295 362 I C 1.248 177.334 176.117 -0.052 0.000 1.098 362 I CA -0.803 60.530 61.300 0.055 0.000 1.277 362 I CB 0.317 38.349 38.000 0.055 0.000 1.434 362 I HN 0.089 nan 8.210 nan 0.000 0.498 363 Y N 5.268 125.470 120.300 -0.164 0.000 2.519 363 Y HA 0.152 4.702 4.550 -0.000 0.000 0.287 363 Y C 0.183 175.695 175.900 -0.646 0.000 1.128 363 Y CA 0.337 58.179 58.100 -0.431 0.000 1.282 363 Y CB -0.135 37.924 38.460 -0.669 0.000 1.027 363 Y HN 0.297 nan 8.280 nan 0.000 0.551 364 F N -1.903 118.150 119.950 0.173 0.000 2.588 364 F HA 0.364 4.891 4.527 -0.000 0.000 0.310 364 F C 0.147 175.939 175.800 -0.013 0.000 1.082 364 F CA -1.700 56.349 58.000 0.083 0.000 0.929 364 F CB 1.077 40.112 39.000 0.057 0.000 1.254 364 F HN -0.499 nan 8.300 nan 0.000 0.455 365 T N 1.975 116.619 114.554 0.150 0.000 2.799 365 T HA 0.177 4.527 4.350 -0.000 0.000 0.296 365 T C -0.353 174.241 174.700 -0.178 0.000 0.947 365 T CA 0.051 62.122 62.100 -0.048 0.000 1.141 365 T CB 0.347 69.182 68.868 -0.055 0.000 0.891 365 T HN 0.397 nan 8.240 nan 0.000 0.533 366 Q N 3.141 122.754 119.800 -0.312 0.000 2.348 366 Q HA 0.317 4.657 4.340 -0.000 0.000 0.265 366 Q C -1.228 174.378 176.000 -0.657 0.000 0.998 366 Q CA -0.661 54.855 55.803 -0.477 0.000 0.831 366 Q CB 1.070 29.539 28.738 -0.448 0.000 1.251 366 Q HN 0.492 nan 8.270 nan 0.000 0.456 367 D N 3.968 124.006 120.400 -0.603 0.000 2.392 367 D HA 0.254 4.894 4.640 -0.000 0.000 0.228 367 D C -1.092 175.038 176.300 -0.283 0.000 1.074 367 D CA -0.254 53.514 54.000 -0.388 0.000 0.838 367 D CB 0.370 41.068 40.800 -0.171 0.000 1.067 367 D HN 0.457 nan 8.370 nan 0.000 0.511 371 M N 4.067 123.737 119.600 0.117 0.000 2.261 371 M HA 0.146 4.626 4.480 -0.000 0.000 0.350 371 M C -2.596 173.685 176.300 -0.033 0.000 1.343 371 M CA -0.631 54.699 55.300 0.049 0.000 1.003 371 M CB 0.211 32.864 32.600 0.090 0.000 1.848 371 M HN -0.130 nan 8.290 nan 0.000 0.456 372 P HA 0.131 nan 4.420 nan 0.000 0.270 372 P C -0.555 176.653 177.300 -0.154 0.000 1.227 372 P CA -0.133 62.926 63.100 -0.068 0.000 0.788 372 P CB 0.368 32.039 31.700 -0.049 0.000 0.926 373 G N 0.069 108.796 108.800 -0.121 0.000 2.425 373 G HA2 0.475 4.435 3.960 -0.000 0.000 0.302 373 G HA3 0.475 4.435 3.960 -0.000 0.000 0.302 373 G C -0.827 173.991 174.900 -0.136 0.000 1.159 373 G CA -0.446 44.552 45.100 -0.170 0.000 0.865 373 G HN 0.338 nan 8.290 nan 0.000 0.515 374 V N 2.399 122.209 119.914 -0.173 0.000 2.481 374 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 374 V C 0.466 176.513 176.094 -0.079 0.000 1.042 374 V CA -0.618 61.606 62.300 -0.127 0.000 0.928 374 V CB 1.524 33.239 31.823 -0.180 0.000 0.986 374 V HN 0.820 nan 8.190 nan 0.000 0.462 375 M N 8.570 128.135 119.600 -0.058 0.000 2.146 375 M HA 0.360 4.839 4.480 -0.000 0.000 0.352 375 M C -2.351 173.857 176.300 -0.153 0.000 1.343 375 M CA -1.457 53.779 55.300 -0.106 0.000 1.115 375 M CB 1.153 33.642 32.600 -0.186 0.000 1.657 375 M HN 0.383 nan 8.290 nan 0.000 0.471 376 P HA 0.096 nan 4.420 nan 0.000 0.271 376 P C -1.267 175.838 177.300 -0.325 0.000 1.216 376 P CA -0.193 62.817 63.100 -0.149 0.000 0.771 376 P CB 0.652 32.326 31.700 -0.043 0.000 0.864 377 V N 3.016 122.714 119.914 -0.361 0.000 2.409 377 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 377 V C 0.381 176.140 176.094 -0.558 0.000 1.020 377 V CA -0.793 61.224 62.300 -0.472 0.000 0.848 377 V CB 1.416 32.956 31.823 -0.471 0.000 0.990 377 V HN 0.679 nan 8.190 nan 0.000 0.430 378 A N 3.790 126.251 122.820 -0.599 0.000 2.249 378 A HA 0.839 5.159 4.320 -0.000 0.000 0.314 378 A C -0.074 177.246 177.584 -0.441 0.000 1.290 378 A CA -0.303 51.419 52.037 -0.525 0.000 0.893 378 A CB 1.131 19.731 19.000 -0.666 0.000 1.165 378 A HN 0.843 nan 8.150 nan 0.000 0.530 379 S N 1.675 117.168 115.700 -0.345 0.000 2.537 379 S HA 0.776 5.246 4.470 -0.000 0.000 0.270 379 S C -0.482 173.996 174.600 -0.202 0.000 1.142 379 S CA 0.417 58.442 58.200 -0.293 0.000 0.870 379 S CB 1.428 64.509 63.200 -0.197 0.000 1.112 379 S HN 2.612 nan 8.310 nan 0.000 0.466 380 G N 1.482 110.152 108.800 -0.217 0.000 3.199 380 G HA2 0.440 4.400 3.960 -0.000 0.000 0.680 380 G HA3 0.440 4.400 3.960 -0.000 0.000 0.680 380 G C 0.870 175.604 174.900 -0.277 0.000 1.197 380 G CA 0.302 45.294 45.100 -0.181 0.000 1.143 380 G HN 2.179 nan 8.290 nan 0.000 0.492 381 G N 0.388 109.047 108.800 -0.234 0.000 2.198 381 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.260 381 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.260 381 G C 0.618 175.397 174.900 -0.202 0.000 1.025 381 G CA 1.029 45.978 45.100 -0.251 0.000 0.769 381 G HN 2.309 nan 8.290 nan 0.000 0.507 382 I N -2.144 118.289 120.570 -0.228 0.000 2.607 382 I HA 0.956 5.126 4.170 -0.000 0.000 0.305 382 I C 0.224 176.471 176.117 0.215 0.000 0.995 382 I CA -1.369 59.798 61.300 -0.221 0.000 1.148 382 I CB 1.636 39.424 38.000 -0.353 0.000 1.323 382 I HN 0.322 nan 8.210 nan 0.000 0.461 383 H N 1.454 120.888 119.070 0.608 0.000 2.959 383 H HA 0.467 5.023 4.556 -0.000 0.000 0.296 383 H C 0.661 176.176 175.328 0.312 0.000 1.421 383 H CA -0.448 55.791 56.048 0.318 0.000 1.206 383 H CB 0.513 30.236 29.762 -0.065 0.000 1.891 383 H HN 0.346 nan 8.280 nan 0.000 0.573 384 V N -2.913 117.164 119.914 0.271 0.000 2.380 384 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 384 V C 1.408 177.510 176.094 0.013 0.000 1.063 384 V CA 1.904 64.201 62.300 -0.005 0.000 1.055 384 V CB -1.303 30.419 31.823 -0.168 0.000 0.657 384 V HN 0.785 nan 8.190 nan 0.000 0.455 385 W N -0.128 121.338 121.300 0.276 0.000 2.392 385 W HA -0.006 4.653 4.660 -0.000 0.000 0.279 385 W C 2.679 179.158 176.519 -0.067 0.000 1.225 385 W CA 1.285 58.677 57.345 0.079 0.000 1.233 385 W CB -0.524 28.999 29.460 0.106 0.000 1.122 385 W HN 0.359 nan 8.180 nan 0.000 0.561 386 H N -0.785 118.413 119.070 0.214 0.000 2.547 386 H HA -0.026 4.530 4.556 -0.000 0.000 0.272 386 H C 1.914 177.338 175.328 0.159 0.000 0.989 386 H CA 1.152 57.281 56.048 0.136 0.000 1.214 386 H CB -0.361 29.426 29.762 0.042 0.000 1.389 386 H HN 0.170 nan 8.280 nan 0.000 0.577 387 M N 1.705 121.457 119.600 0.254 0.000 2.088 387 M HA -0.112 4.368 4.480 -0.000 0.000 0.256 387 M C -0.960 175.440 176.300 0.167 0.000 1.071 387 M CA 1.843 57.265 55.300 0.203 0.000 1.097 387 M CB -0.931 31.725 32.600 0.094 0.000 1.315 387 M HN 0.085 nan 8.290 nan 0.000 0.406 388 P HA -0.013 nan 4.420 nan 0.000 0.216 388 P C 1.162 178.530 177.300 0.114 0.000 1.153 388 P CA 2.118 65.284 63.100 0.111 0.000 0.844 388 P CB -0.406 31.355 31.700 0.101 0.000 0.787 389 A N -0.374 122.527 122.820 0.135 0.000 1.908 389 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 389 A C 2.234 179.882 177.584 0.106 0.000 1.181 389 A CA 1.614 53.719 52.037 0.113 0.000 0.627 389 A CB -1.727 17.360 19.000 0.145 0.000 0.818 389 A HN 0.114 nan 8.150 nan 0.000 0.445 390 L N -0.653 120.676 121.223 0.177 0.000 2.005 390 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 390 L C 2.495 179.518 176.870 0.255 0.000 1.072 390 L CA 1.166 56.162 54.840 0.259 0.000 0.744 390 L CB -0.644 41.584 42.059 0.281 0.000 0.895 390 L HN 0.236 nan 8.230 nan 0.000 0.433 391 V N -0.344 119.680 119.914 0.183 0.000 2.469 391 V HA -0.260 3.859 4.120 -0.000 0.000 0.251 391 V C 2.554 178.706 176.094 0.097 0.000 1.064 391 V CA 1.698 64.085 62.300 0.144 0.000 1.066 391 V CB -0.565 31.323 31.823 0.108 0.000 0.667 391 V HN 0.478 nan 8.190 nan 0.000 0.461 392 E N 0.332 120.569 120.200 0.063 0.000 2.072 392 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 392 E C 2.170 178.740 176.600 -0.050 0.000 0.982 392 E CA 1.339 57.747 56.400 0.014 0.000 0.803 392 E CB -0.054 29.653 29.700 0.012 0.000 0.755 392 E HN 0.617 nan 8.360 nan 0.000 0.453 393 I N -0.276 120.214 120.570 -0.134 0.000 2.202 393 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 393 I C 1.927 177.792 176.117 -0.420 0.000 1.091 393 I CA 1.126 62.192 61.300 -0.390 0.000 1.368 393 I CB -0.203 37.353 38.000 -0.740 0.000 1.058 393 I HN 0.022 nan 8.210 nan 0.000 0.410 394 F N 0.200 120.153 119.950 0.004 0.000 2.582 394 F HA 0.363 4.890 4.527 -0.000 0.000 0.290 394 F C 1.619 177.425 175.800 0.011 0.000 1.115 394 F CA 0.525 58.526 58.000 0.002 0.000 1.445 394 F CB -0.620 38.377 39.000 -0.005 0.000 1.126 394 F HN 0.140 nan 8.300 nan 0.000 0.574 395 G N 0.788 109.689 108.800 0.169 0.000 2.645 395 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.239 395 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.239 395 G C 0.270 175.242 174.900 0.120 0.000 1.331 395 G CA 0.182 45.352 45.100 0.116 0.000 0.890 395 G HN 0.147 nan 8.290 nan 0.000 0.572 396 D N 0.546 120.999 120.400 0.088 0.000 2.149 396 D HA 0.060 4.700 4.640 -0.000 0.000 0.201 396 D C 1.075 177.413 176.300 0.063 0.000 0.972 396 D CA 1.335 55.379 54.000 0.074 0.000 0.835 396 D CB -0.155 40.687 40.800 0.070 0.000 0.966 396 D HN 0.381 nan 8.370 nan 0.000 0.476 397 D N 0.780 121.220 120.400 0.067 0.000 2.608 397 D HA 0.443 5.083 4.640 -0.000 0.000 0.224 397 D C -0.264 176.046 176.300 0.018 0.000 1.123 397 D CA 0.135 54.161 54.000 0.043 0.000 1.030 397 D CB 0.063 40.894 40.800 0.051 0.000 1.093 397 D HN 0.043 nan 8.370 nan 0.000 0.497 398 A N 0.078 122.882 122.820 -0.027 0.000 2.599 398 A HA 0.608 4.928 4.320 -0.000 0.000 0.290 398 A C -1.276 176.216 177.584 -0.154 0.000 1.101 398 A CA -0.774 51.180 52.037 -0.138 0.000 0.674 398 A CB 1.696 20.581 19.000 -0.192 0.000 1.277 398 A HN 0.384 nan 8.150 nan 0.000 0.419 399 C N 1.208 120.362 119.300 -0.244 0.000 2.369 399 C HA 0.807 5.267 4.460 -0.000 0.000 0.322 399 C C -1.107 173.753 174.990 -0.216 0.000 1.258 399 C CA -0.575 58.350 59.018 -0.155 0.000 1.487 399 C CB -0.796 26.861 27.740 -0.139 0.000 2.165 399 C HN 0.709 nan 8.230 nan 0.000 0.483 400 L N 5.840 126.987 121.223 -0.126 0.000 2.329 400 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 400 L C -0.186 176.533 176.870 -0.251 0.000 1.014 400 L CA -0.240 54.467 54.840 -0.222 0.000 0.814 400 L CB 1.475 43.509 42.059 -0.042 0.000 1.257 400 L HN 0.625 nan 8.230 nan 0.000 0.424 401 Q N 2.903 122.374 119.800 -0.548 0.000 2.337 401 Q HA 0.532 4.872 4.340 -0.000 0.000 0.270 401 Q C -1.645 173.935 176.000 -0.701 0.000 1.043 401 Q CA -0.482 55.072 55.803 -0.415 0.000 0.794 401 Q CB 2.745 31.351 28.738 -0.219 0.000 1.281 401 Q HN 0.419 nan 8.270 nan 0.000 0.446 402 F N 0.914 120.836 119.950 -0.047 0.000 2.532 402 F HA 0.348 4.874 4.527 -0.000 0.000 0.365 402 F C 0.901 176.676 175.800 -0.042 0.000 1.112 402 F CA -0.633 57.334 58.000 -0.054 0.000 1.082 402 F CB 1.261 40.234 39.000 -0.045 0.000 1.319 402 F HN 0.749 nan 8.300 nan 0.000 0.457 403 G N 1.615 110.447 108.800 0.053 0.000 2.654 403 G HA2 0.029 3.988 3.960 -0.000 0.000 0.215 403 G HA3 0.029 3.988 3.960 -0.000 0.000 0.215 403 G C 1.775 176.715 174.900 0.067 0.000 1.310 403 G CA 0.660 45.788 45.100 0.048 0.000 0.866 403 G HN 0.739 nan 8.290 nan 0.000 0.558 404 G N 0.782 109.610 108.800 0.047 0.000 2.469 404 G HA2 0.007 3.966 3.960 -0.000 0.000 0.219 404 G HA3 0.007 3.966 3.960 -0.000 0.000 0.219 404 G C 1.759 176.673 174.900 0.023 0.000 1.150 404 G CA 1.409 46.545 45.100 0.061 0.000 0.763 404 G HN 0.747 nan 8.290 nan 0.000 0.561 405 G N -0.789 107.967 108.800 -0.073 0.000 2.564 405 G HA2 0.067 4.027 3.960 -0.000 0.000 0.216 405 G HA3 0.067 4.027 3.960 -0.000 0.000 0.216 405 G C 1.408 176.364 174.900 0.093 0.000 1.124 405 G CA 1.756 46.749 45.100 -0.178 0.000 0.764 405 G HN 0.456 nan 8.290 nan 0.000 0.550 406 T N -0.349 114.309 114.554 0.173 0.000 3.174 406 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 406 T C 1.879 176.696 174.700 0.196 0.000 0.984 406 T CA -0.211 61.994 62.100 0.174 0.000 1.113 406 T CB -0.012 68.918 68.868 0.103 0.000 1.088 406 T HN 0.050 nan 8.240 nan 0.000 0.442 407 L N 1.716 123.032 121.223 0.155 0.000 2.552 407 L HA 0.289 4.629 4.340 -0.000 0.000 0.227 407 L C 2.268 179.261 176.870 0.204 0.000 1.146 407 L CA 0.815 55.737 54.840 0.137 0.000 0.858 407 L CB -0.252 41.852 42.059 0.075 0.000 0.969 407 L HN 0.380 nan 8.230 nan 0.000 0.451 408 G N -2.920 106.075 108.800 0.325 0.000 2.838 408 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.210 408 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.210 408 G C 0.634 175.790 174.900 0.427 0.000 1.153 408 G CA -0.269 45.098 45.100 0.446 0.000 0.778 408 G HN 0.304 nan 8.290 nan 0.000 0.539 409 H N 2.099 121.360 119.070 0.317 0.000 2.928 409 H HA 0.057 4.613 4.556 -0.000 0.000 0.338 409 H C -1.053 174.246 175.328 -0.050 0.000 1.047 409 H CA -1.015 55.047 56.048 0.023 0.000 1.435 409 H CB 1.924 31.713 29.762 0.045 0.000 1.428 409 H HN 0.032 nan 8.280 nan 0.000 0.590 410 P HA -0.133 nan 4.420 nan 0.000 0.222 410 P C 0.638 178.153 177.300 0.358 0.000 1.147 410 P CA 1.073 64.150 63.100 -0.039 0.000 0.790 410 P CB 0.087 31.660 31.700 -0.212 0.000 0.780 411 W N 0.268 121.751 121.300 0.305 0.000 3.220 411 W HA 0.502 5.162 4.660 -0.001 0.000 0.328 411 W C 1.127 177.697 176.519 0.085 0.000 1.205 411 W CA 0.355 57.805 57.345 0.175 0.000 1.773 411 W CB -0.691 28.866 29.460 0.161 0.000 1.086 411 W HN 0.059 nan 8.180 nan 0.000 0.622 412 G N 1.040 110.021 108.800 0.302 0.000 2.549 412 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.404 412 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.404 412 G C 0.673 175.597 174.900 0.041 0.000 1.292 412 G CA -0.125 45.056 45.100 0.135 0.000 0.935 412 G HN -0.016 nan 8.290 nan 0.000 0.512 413 N N 0.065 118.765 118.700 0.001 0.000 2.135 413 N HA 0.058 4.798 4.740 -0.000 0.000 0.186 413 N C 2.751 178.199 175.510 -0.103 0.000 1.027 413 N CA 2.568 55.594 53.050 -0.041 0.000 0.849 413 N CB -0.828 37.631 38.487 -0.046 0.000 1.002 413 N HN 1.097 nan 8.380 nan 0.000 0.425 414 A N 1.767 124.516 122.820 -0.119 0.000 1.865 414 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 414 A C -0.157 177.333 177.584 -0.157 0.000 1.191 414 A CA 1.561 53.511 52.037 -0.144 0.000 0.623 414 A CB -1.636 17.276 19.000 -0.146 0.000 0.826 414 A HN 0.222 nan 8.150 nan 0.000 0.444 415 P HA -0.120 nan 4.420 nan 0.000 0.215 415 P C 1.797 178.749 177.300 -0.581 0.000 1.157 415 P CA 1.803 64.724 63.100 -0.298 0.000 0.868 415 P CB -0.446 31.142 31.700 -0.188 0.000 0.788 416 G N 0.055 108.461 108.800 -0.658 0.000 2.513 416 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 416 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 416 G C 1.657 176.445 174.900 -0.186 0.000 1.160 416 G CA 1.291 46.164 45.100 -0.377 0.000 0.767 416 G HN 0.359 nan 8.290 nan 0.000 0.571 417 A N 1.154 123.879 122.820 -0.158 0.000 1.855 417 A HA 0.285 4.605 4.320 -0.000 0.000 0.215 417 A C 2.888 180.392 177.584 -0.133 0.000 1.191 417 A CA 2.418 54.385 52.037 -0.117 0.000 0.613 417 A CB -1.000 17.939 19.000 -0.102 0.000 0.829 417 A HN 0.949 nan 8.150 nan 0.000 0.442 418 A N -0.010 122.723 122.820 -0.146 0.000 1.917 418 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 418 A C 2.528 180.032 177.584 -0.133 0.000 1.182 418 A CA 2.564 54.527 52.037 -0.124 0.000 0.633 418 A CB -1.179 17.750 19.000 -0.118 0.000 0.819 418 A HN 1.146 nan 8.150 nan 0.000 0.448 419 A N 0.270 122.988 122.820 -0.170 0.000 1.851 419 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 419 A C 1.910 179.396 177.584 -0.165 0.000 1.195 419 A CA 2.072 54.019 52.037 -0.151 0.000 0.622 419 A CB -1.026 17.915 19.000 -0.099 0.000 0.831 419 A HN 0.700 nan 8.150 nan 0.000 0.444 420 N N -1.213 117.358 118.700 -0.215 0.000 2.166 420 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 420 N C 1.929 177.317 175.510 -0.203 0.000 1.019 420 N CA 1.428 54.276 53.050 -0.336 0.000 0.856 420 N CB -0.151 38.020 38.487 -0.526 0.000 0.993 420 N HN 0.473 nan 8.380 nan 0.000 0.426 421 R N 1.102 121.524 120.500 -0.130 0.000 2.073 421 R HA -0.020 4.319 4.340 -0.000 0.000 0.234 421 R C 1.709 177.984 176.300 -0.042 0.000 1.134 421 R CA 1.143 57.201 56.100 -0.070 0.000 0.952 421 R CB -0.805 29.460 30.300 -0.057 0.000 0.850 421 R HN 0.017 nan 8.270 nan 0.000 0.433 422 V N 1.039 120.929 119.914 -0.041 0.000 2.295 422 V HA -0.232 3.887 4.120 -0.000 0.000 0.246 422 V C 2.400 178.492 176.094 -0.003 0.000 1.049 422 V CA 2.022 64.327 62.300 0.009 0.000 1.024 422 V CB -1.100 30.732 31.823 0.015 0.000 0.648 422 V HN 0.565 nan 8.190 nan 0.000 0.447 423 A N -0.135 122.648 122.820 -0.062 0.000 1.892 423 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 423 A C 2.202 179.768 177.584 -0.031 0.000 1.188 423 A CA 2.478 54.470 52.037 -0.075 0.000 0.631 423 A CB -0.654 18.258 19.000 -0.146 0.000 0.822 423 A HN 0.504 nan 8.150 nan 0.000 0.447 424 L N -0.306 120.901 121.223 -0.027 0.000 2.056 424 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 424 L C 2.221 179.105 176.870 0.023 0.000 1.078 424 L CA 2.276 57.126 54.840 0.016 0.000 0.749 424 L CB -0.509 41.568 42.059 0.030 0.000 0.901 424 L HN 0.475 nan 8.230 nan 0.000 0.433 425 E N -0.037 120.173 120.200 0.017 0.000 2.072 425 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 425 E C 2.157 178.771 176.600 0.023 0.000 0.985 425 E CA 1.084 57.498 56.400 0.023 0.000 0.801 425 E CB -0.288 29.429 29.700 0.028 0.000 0.750 425 E HN 0.676 nan 8.360 nan 0.000 0.452 426 A N 1.275 124.110 122.820 0.026 0.000 1.865 426 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 426 A C 2.550 180.143 177.584 0.016 0.000 1.191 426 A CA 1.541 53.590 52.037 0.019 0.000 0.623 426 A CB -1.021 17.997 19.000 0.030 0.000 0.826 426 A HN 0.365 nan 8.150 nan 0.000 0.444 427 C N -1.025 118.289 119.300 0.023 0.000 2.425 427 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 427 C C 3.017 178.027 174.990 0.033 0.000 1.280 427 C CA 1.459 60.496 59.018 0.032 0.000 1.744 427 C CB -1.639 26.130 27.740 0.047 0.000 1.989 427 C HN 0.660 nan 8.230 nan 0.000 0.491 428 T N 0.160 114.734 114.554 0.033 0.000 2.737 428 T HA -0.245 4.104 4.350 -0.000 0.000 0.265 428 T C 1.862 176.576 174.700 0.022 0.000 1.038 428 T CA 1.690 63.809 62.100 0.033 0.000 1.144 428 T CB -0.370 68.519 68.868 0.035 0.000 0.866 428 T HN 0.662 nan 8.240 nan 0.000 0.434 429 Q N 0.664 120.472 119.800 0.013 0.000 2.030 429 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 429 Q C 2.531 178.532 176.000 0.001 0.000 0.986 429 Q CA 1.699 57.503 55.803 0.002 0.000 0.843 429 Q CB -0.369 28.361 28.738 -0.012 0.000 0.904 429 Q HN 0.522 nan 8.270 nan 0.000 0.420 430 A N 1.494 124.316 122.820 0.004 0.000 1.859 430 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 430 A C 2.172 179.763 177.584 0.012 0.000 1.198 430 A CA 1.798 53.839 52.037 0.007 0.000 0.629 430 A CB -0.960 18.048 19.000 0.013 0.000 0.830 430 A HN 0.392 nan 8.150 nan 0.000 0.446 431 R N 0.157 120.668 120.500 0.019 0.000 2.112 431 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 431 R C 1.960 178.270 176.300 0.017 0.000 1.137 431 R CA 2.302 58.415 56.100 0.022 0.000 0.944 431 R CB -0.912 29.406 30.300 0.030 0.000 0.857 431 R HN 0.794 nan 8.270 nan 0.000 0.435 432 N N 0.078 118.787 118.700 0.015 0.000 2.166 432 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 432 N C 1.372 176.886 175.510 0.006 0.000 1.019 432 N CA 0.953 54.010 53.050 0.012 0.000 0.856 432 N CB -0.082 38.411 38.487 0.012 0.000 0.993 432 N HN 0.410 nan 8.380 nan 0.000 0.426 433 E N -0.430 119.772 120.200 0.003 0.000 2.478 433 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 433 E C 1.097 177.697 176.600 0.001 0.000 1.046 433 E CA 0.334 56.733 56.400 -0.002 0.000 0.870 433 E CB 0.194 29.889 29.700 -0.007 0.000 0.818 433 E HN 0.522 nan 8.360 nan 0.000 0.527 434 G N 1.274 110.077 108.800 0.005 0.000 2.253 434 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.209 434 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.209 434 G C 0.211 175.116 174.900 0.008 0.000 0.997 434 G CA -0.505 44.599 45.100 0.006 0.000 0.640 434 G HN 0.073 nan 8.290 nan 0.000 0.496 435 R N 1.539 122.045 120.500 0.009 0.000 2.585 435 R HA 0.184 4.524 4.340 -0.000 0.000 0.275 435 R C -0.495 175.815 176.300 0.016 0.000 1.018 435 R CA 0.145 56.252 56.100 0.012 0.000 1.072 435 R CB 0.485 30.793 30.300 0.013 0.000 0.953 435 R HN 0.369 nan 8.270 nan 0.000 0.419 436 D N 4.152 124.562 120.400 0.017 0.000 2.336 436 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 436 D C 0.963 177.277 176.300 0.025 0.000 1.213 436 D CA -0.121 53.890 54.000 0.018 0.000 0.870 436 D CB 0.939 41.748 40.800 0.015 0.000 1.076 436 D HN 0.443 nan 8.370 nan 0.000 0.483 437 L N 3.579 124.819 121.223 0.028 0.000 2.291 437 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 437 L C 2.484 179.378 176.870 0.040 0.000 1.120 437 L CA 0.750 55.612 54.840 0.037 0.000 0.799 437 L CB -0.126 41.958 42.059 0.041 0.000 0.925 437 L HN 0.480 nan 8.230 nan 0.000 0.446 438 A N -0.109 122.729 122.820 0.029 0.000 2.015 438 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 438 A C 2.353 179.955 177.584 0.031 0.000 1.163 438 A CA 1.360 53.413 52.037 0.027 0.000 0.646 438 A CB -0.193 18.816 19.000 0.015 0.000 0.806 438 A HN 0.350 nan 8.150 nan 0.000 0.448 439 R N -1.141 119.377 120.500 0.030 0.000 2.098 439 R HA 0.110 4.450 4.340 -0.000 0.000 0.203 439 R C 1.209 177.532 176.300 0.038 0.000 1.166 439 R CA 0.649 56.767 56.100 0.030 0.000 1.090 439 R CB 0.001 30.314 30.300 0.022 0.000 0.992 439 R HN 0.479 nan 8.270 nan 0.000 0.477 440 E N 0.772 120.995 120.200 0.037 0.000 2.485 440 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 440 E C 1.351 177.987 176.600 0.059 0.000 1.098 440 E CA 0.178 56.604 56.400 0.043 0.000 0.878 440 E CB 0.233 29.953 29.700 0.034 0.000 0.939 440 E HN 0.419 nan 8.360 nan 0.000 0.503 441 G N 1.761 110.602 108.800 0.068 0.000 2.628 441 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.217 441 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.217 441 G C 1.556 176.530 174.900 0.124 0.000 1.240 441 G CA 0.818 45.972 45.100 0.090 0.000 0.792 441 G HN 0.438 nan 8.290 nan 0.000 0.593 442 G N 0.271 109.164 108.800 0.153 0.000 2.475 442 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 442 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 442 G C 1.524 176.542 174.900 0.196 0.000 1.125 442 G CA 1.415 46.656 45.100 0.236 0.000 0.755 442 G HN 0.375 nan 8.290 nan 0.000 0.565 443 D N 0.152 120.624 120.400 0.120 0.000 2.097 443 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 443 D C 2.851 179.194 176.300 0.073 0.000 0.984 443 D CA 0.997 55.051 54.000 0.090 0.000 0.826 443 D CB -0.297 40.540 40.800 0.061 0.000 0.973 443 D HN 0.212 nan 8.370 nan 0.000 0.460 444 V N 1.851 121.801 119.914 0.060 0.000 2.287 444 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 444 V C 2.547 178.654 176.094 0.021 0.000 1.053 444 V CA 0.989 63.312 62.300 0.037 0.000 1.027 444 V CB -0.281 31.562 31.823 0.033 0.000 0.646 444 V HN 0.173 nan 8.190 nan 0.000 0.447 445 I N -0.058 120.518 120.570 0.010 0.000 2.127 445 I HA -0.212 3.958 4.170 -0.000 0.000 0.241 445 I C 2.682 178.738 176.117 -0.101 0.000 1.075 445 I CA 1.709 62.946 61.300 -0.105 0.000 1.334 445 I CB -1.188 36.673 38.000 -0.232 0.000 1.040 445 I HN 0.294 nan 8.210 nan 0.000 0.405 446 R N 0.391 120.904 120.500 0.023 0.000 2.083 446 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 446 R C 2.490 178.826 176.300 0.060 0.000 1.137 446 R CA 1.940 58.087 56.100 0.079 0.000 0.951 446 R CB -0.194 30.206 30.300 0.168 0.000 0.851 446 R HN 0.328 nan 8.270 nan 0.000 0.434 447 S N 0.487 116.223 115.700 0.061 0.000 2.374 447 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 447 S C 2.004 176.675 174.600 0.119 0.000 1.037 447 S CA 1.427 59.670 58.200 0.072 0.000 1.024 447 S CB -0.224 63.002 63.200 0.045 0.000 0.861 447 S HN 0.514 nan 8.310 nan 0.000 0.456 448 A N 0.427 123.309 122.820 0.103 0.000 2.014 448 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 448 A C 2.339 179.991 177.584 0.114 0.000 1.163 448 A CA 1.223 53.377 52.037 0.195 0.000 0.652 448 A CB -1.051 18.018 19.000 0.115 0.000 0.808 448 A HN 0.654 nan 8.150 nan 0.000 0.449 449 C N -0.112 119.188 119.300 0.000 0.000 2.457 449 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 449 C C 2.456 177.441 174.990 -0.009 0.000 1.309 449 C CA 0.969 59.953 59.018 -0.057 0.000 1.735 449 C CB -1.007 26.683 27.740 -0.083 0.000 1.992 449 C HN 0.587 nan 8.230 nan 0.000 0.493 450 K N 0.205 120.641 120.400 0.059 0.000 2.362 450 K HA -0.139 4.180 4.320 -0.000 0.000 0.200 450 K C 1.963 178.643 176.600 0.134 0.000 1.046 450 K CA 1.222 57.557 56.287 0.081 0.000 0.952 450 K CB -0.188 32.367 32.500 0.092 0.000 0.753 450 K HN 0.840 nan 8.250 nan 0.000 0.466 451 W N 1.037 122.329 121.300 -0.013 0.000 2.574 451 W HA 0.148 4.808 4.660 -0.000 0.000 0.282 451 W C -0.008 176.507 176.519 -0.006 0.000 1.197 451 W CA 0.164 57.504 57.345 -0.009 0.000 1.376 451 W CB 0.294 29.745 29.460 -0.014 0.000 1.091 451 W HN -0.184 nan 8.180 nan 0.000 0.569 452 S N 1.888 117.211 115.700 -0.629 0.000 2.474 452 S HA 0.323 4.793 4.470 -0.000 0.000 0.321 452 S C -1.544 172.857 174.600 -0.333 0.000 1.080 452 S CA -1.529 56.239 58.200 -0.721 0.000 1.106 452 S CB 1.542 64.378 63.200 -0.608 0.000 0.984 452 S HN -0.204 nan 8.310 nan 0.000 0.464 453 P HA -0.104 nan 4.420 nan 0.000 0.216 453 P C 0.815 178.038 177.300 -0.127 0.000 1.153 453 P CA 1.203 64.281 63.100 -0.037 0.000 0.858 453 P CB 0.226 32.001 31.700 0.125 0.000 0.789 454 E N -0.803 119.311 120.200 -0.144 0.000 2.047 454 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 454 E C 1.862 178.308 176.600 -0.256 0.000 0.987 454 E CA 0.668 56.902 56.400 -0.276 0.000 0.799 454 E CB -1.253 28.364 29.700 -0.137 0.000 0.752 454 E HN 0.072 nan 8.360 nan 0.000 0.449 455 L N 0.707 121.801 121.223 -0.215 0.000 2.083 455 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 455 L C 2.010 178.737 176.870 -0.238 0.000 1.083 455 L CA 2.033 56.753 54.840 -0.200 0.000 0.752 455 L CB -0.972 40.977 42.059 -0.183 0.000 0.899 455 L HN 0.119 nan 8.230 nan 0.000 0.433 456 A N -0.389 122.289 122.820 -0.235 0.000 1.877 456 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 456 A C 2.482 179.903 177.584 -0.270 0.000 1.186 456 A CA 1.993 53.912 52.037 -0.197 0.000 0.620 456 A CB -1.260 17.664 19.000 -0.126 0.000 0.822 456 A HN 0.565 nan 8.150 nan 0.000 0.443 457 A N -0.263 122.287 122.820 -0.450 0.000 1.940 457 A HA 0.096 4.416 4.320 -0.000 0.000 0.219 457 A C 2.472 179.632 177.584 -0.707 0.000 1.176 457 A CA 2.306 53.943 52.037 -0.667 0.000 0.631 457 A CB -0.946 17.243 19.000 -1.351 0.000 0.814 457 A HN 1.059 nan 8.150 nan 0.000 0.446 458 A N -1.036 121.437 122.820 -0.580 0.000 1.855 458 A HA -0.133 4.186 4.320 -0.000 0.000 0.215 458 A C 2.314 179.748 177.584 -0.250 0.000 1.191 458 A CA 1.545 53.313 52.037 -0.448 0.000 0.613 458 A CB -1.319 17.648 19.000 -0.055 0.000 0.829 458 A HN 0.595 nan 8.150 nan 0.000 0.442 459 C N -0.669 118.523 119.300 -0.180 0.000 2.413 459 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 459 C C 2.697 177.843 174.990 0.260 0.000 1.248 459 C CA 1.246 60.277 59.018 0.022 0.000 1.742 459 C CB -1.101 26.544 27.740 -0.157 0.000 2.017 459 C HN 0.649 nan 8.230 nan 0.000 0.481 460 E N 0.747 120.935 120.200 -0.020 0.000 2.058 460 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 460 E C 2.163 178.667 176.600 -0.161 0.000 0.997 460 E CA 1.580 57.937 56.400 -0.073 0.000 0.801 460 E CB -0.162 29.446 29.700 -0.152 0.000 0.746 460 E HN 0.499 nan 8.360 nan 0.000 0.450 461 V N -0.463 119.226 119.914 -0.375 0.000 2.488 461 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 461 V C 1.543 177.339 176.094 -0.497 0.000 1.046 461 V CA 1.168 63.118 62.300 -0.584 0.000 1.053 461 V CB -0.321 30.880 31.823 -1.037 0.000 0.679 461 V HN 0.336 nan 8.190 nan 0.000 0.458 462 W N -0.046 121.194 121.300 -0.101 0.000 2.966 462 W HA 0.368 5.028 4.660 -0.000 0.000 0.406 462 W C 1.769 178.162 176.519 -0.210 0.000 1.027 462 W CA -1.000 56.196 57.345 -0.250 0.000 1.930 462 W CB -0.239 28.856 29.460 -0.608 0.000 1.144 462 W HN 0.265 nan 8.180 nan 0.000 0.626 463 K N 1.171 121.592 120.400 0.036 0.000 2.032 463 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 463 K C 1.464 177.835 176.600 -0.381 0.000 1.048 463 K CA 1.565 57.654 56.287 -0.329 0.000 0.927 463 K CB 0.297 32.675 32.500 -0.203 0.000 0.712 463 K HN -0.165 nan 8.250 nan 0.000 0.441 464 E N 0.417 120.498 120.200 -0.198 0.000 2.482 464 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 464 E C 0.120 176.640 176.600 -0.132 0.000 1.047 464 E CA 0.283 56.581 56.400 -0.169 0.000 0.869 464 E CB 0.175 29.802 29.700 -0.122 0.000 0.836 464 E HN 0.268 nan 8.360 nan 0.000 0.520 465 I N 1.971 122.498 120.570 -0.072 0.000 2.337 465 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 465 I C 0.496 176.621 176.117 0.014 0.000 1.046 465 I CA 0.050 61.333 61.300 -0.028 0.000 1.324 465 I CB 0.156 38.213 38.000 0.094 0.000 1.409 465 I HN -0.276 nan 8.210 nan 0.000 0.494 466 K N 5.347 125.613 120.400 -0.223 0.000 2.480 466 K HA 0.582 4.902 4.320 -0.000 0.000 0.258 466 K C -1.477 174.844 176.600 -0.466 0.000 0.990 466 K CA -0.660 55.530 56.287 -0.161 0.000 0.857 466 K CB 2.659 35.108 32.500 -0.086 0.000 1.384 466 K HN 0.162 nan 8.250 nan 0.000 0.446 467 F N 1.632 121.641 119.950 0.100 0.000 2.564 467 F HA 0.326 4.853 4.527 -0.000 0.000 0.368 467 F C -0.445 175.391 175.800 0.059 0.000 1.127 467 F CA -0.506 57.546 58.000 0.087 0.000 1.170 467 F CB 1.326 40.432 39.000 0.177 0.000 1.397 467 F HN 0.314 nan 8.300 nan 0.000 0.493 468 E N 1.760 121.931 120.200 -0.049 0.000 2.272 468 E HA 0.656 5.006 4.350 -0.000 0.000 0.269 468 E C -1.200 175.244 176.600 -0.260 0.000 0.877 468 E CA -0.605 55.785 56.400 -0.016 0.000 0.755 468 E CB 2.506 32.186 29.700 -0.034 0.000 1.192 468 E HN 0.223 nan 8.360 nan 0.000 0.422 469 F N 0.000 119.992 119.950 0.071 0.000 2.286 469 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 469 F CA 0.000 58.034 58.000 0.057 0.000 1.383 469 F CB 0.000 39.040 39.000 0.066 0.000 1.145 469 F HN 0.000 nan 8.300 nan 0.000 0.574