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 2vdi_1_E 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 ESLRGGLDFT 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 VWKEIKFEFD TIDKL 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 0.000 177.616 177.584 0.053 0.000 1.274 11 A CA 0.000 52.054 52.037 0.029 0.000 0.836 11 A CB 0.000 19.015 19.000 0.025 0.000 0.831 12 G N 0.301 109.133 108.800 0.053 0.000 2.557 12 G HA2 0.578 4.538 3.960 -0.000 0.000 0.292 12 G HA3 0.578 4.538 3.960 -0.000 0.000 0.292 12 G C -0.328 174.657 174.900 0.142 0.000 1.237 12 G CA -0.596 44.557 45.100 0.088 0.000 0.978 12 G HN 1.376 nan 8.290 nan 0.000 0.498 13 F N 0.695 120.665 119.950 0.033 0.000 2.445 13 F HA 0.499 5.026 4.527 -0.000 0.000 0.359 13 F C 0.341 176.156 175.800 0.025 0.000 1.101 13 F CA -0.898 57.132 58.000 0.050 0.000 1.177 13 F CB 0.997 40.057 39.000 0.099 0.000 1.110 13 F HN 0.201 nan 8.300 nan 0.000 0.522 14 K N 6.412 126.475 120.400 -0.562 0.000 2.507 14 K HA 0.626 4.945 4.320 -0.000 0.000 0.253 14 K C -0.836 175.327 176.600 -0.729 0.000 0.969 14 K CA -0.664 55.256 56.287 -0.611 0.000 0.908 14 K CB 1.129 33.480 32.500 -0.248 0.000 1.127 14 K HN 0.837 nan 8.250 nan 0.000 0.437 15 A N 2.502 124.769 122.820 -0.922 0.000 2.466 15 A HA 0.596 4.916 4.320 -0.000 0.000 0.238 15 A C 0.482 177.939 177.584 -0.212 0.000 1.074 15 A CA 0.914 52.680 52.037 -0.452 0.000 0.774 15 A CB 0.041 18.886 19.000 -0.258 0.000 1.015 15 A HN 1.018 nan 8.150 nan 0.000 0.498 16 G N -0.960 107.763 108.800 -0.128 0.000 2.440 16 G HA2 0.312 4.272 3.960 -0.000 0.000 0.684 16 G HA3 0.312 4.272 3.960 -0.000 0.000 0.684 16 G C -0.852 173.974 174.900 -0.122 0.000 1.309 16 G CA -0.475 44.562 45.100 -0.106 0.000 0.931 16 G HN 1.446 nan 8.290 nan 0.000 0.612 17 V N 1.424 121.290 119.914 -0.080 0.000 2.583 17 V HA 0.658 4.778 4.120 -0.000 0.000 0.287 17 V C 0.699 176.755 176.094 -0.063 0.000 1.051 17 V CA 0.801 63.059 62.300 -0.070 0.000 1.010 17 V CB 1.142 32.993 31.823 0.048 0.000 0.988 17 V HN 1.105 nan 8.190 nan 0.000 0.478 18 K N 1.724 122.067 120.400 -0.094 0.000 2.509 18 K HA 0.579 4.899 4.320 -0.000 0.000 0.266 18 K C -1.472 175.063 176.600 -0.107 0.000 0.987 18 K CA -1.087 55.157 56.287 -0.071 0.000 0.868 18 K CB 1.643 34.112 32.500 -0.052 0.000 1.421 18 K HN 0.327 nan 8.250 nan 0.000 0.444 19 D N 1.072 121.443 120.400 -0.048 0.000 2.472 19 D HA 0.009 4.649 4.640 -0.000 0.000 0.237 19 D C 0.550 176.863 176.300 0.021 0.000 1.141 19 D CA 0.270 54.259 54.000 -0.018 0.000 0.875 19 D CB 0.216 41.037 40.800 0.035 0.000 1.192 19 D HN 0.455 nan 8.370 nan 0.000 0.450 20 Y N 1.416 121.773 120.300 0.094 0.000 2.224 20 Y HA -0.214 4.336 4.550 -0.000 0.000 0.289 20 Y C 2.410 178.431 175.900 0.201 0.000 1.146 20 Y CA 1.267 59.460 58.100 0.154 0.000 1.182 20 Y CB -0.259 38.227 38.460 0.044 0.000 0.983 20 Y HN 0.468 nan 8.280 nan 0.000 0.524 21 R N 0.500 121.163 120.500 0.271 0.000 2.159 21 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 21 R C 1.690 178.107 176.300 0.195 0.000 1.131 21 R CA 1.730 57.966 56.100 0.227 0.000 0.982 21 R CB -1.137 29.238 30.300 0.124 0.000 0.868 21 R HN 0.360 nan 8.270 nan 0.000 0.453 22 L N 0.805 122.108 121.223 0.134 0.000 2.191 22 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 22 L C 1.507 178.390 176.870 0.022 0.000 1.103 22 L CA 1.565 56.447 54.840 0.070 0.000 0.769 22 L CB -0.185 41.897 42.059 0.039 0.000 0.908 22 L HN 0.343 nan 8.230 nan 0.000 0.438 23 T N -3.443 111.119 114.554 0.014 0.000 2.987 23 T HA 0.061 4.411 4.350 -0.000 0.000 0.248 23 T C 0.924 175.422 174.700 -0.337 0.000 0.997 23 T CA 0.203 62.171 62.100 -0.221 0.000 1.013 23 T CB 0.162 68.792 68.868 -0.396 0.000 1.077 23 T HN 0.118 nan 8.240 nan 0.000 0.483 24 Y N -0.277 120.067 120.300 0.073 0.000 2.481 24 Y HA 0.431 4.980 4.550 -0.000 0.000 0.247 24 Y C -0.052 175.901 175.900 0.089 0.000 1.151 24 Y CA -1.269 56.859 58.100 0.047 0.000 1.238 24 Y CB 0.539 39.027 38.460 0.047 0.000 1.179 24 Y HN 0.177 nan 8.280 nan 0.000 0.524 25 Y N 2.186 122.541 120.300 0.092 0.000 2.369 25 Y HA 0.448 4.998 4.550 -0.000 0.000 0.337 25 Y C -0.093 175.830 175.900 0.038 0.000 0.961 25 Y CA -1.429 56.703 58.100 0.053 0.000 1.186 25 Y CB 0.794 39.278 38.460 0.040 0.000 1.139 25 Y HN 0.036 nan 8.280 nan 0.000 0.494 26 T N 5.480 119.830 114.554 -0.340 0.000 3.317 26 T HA 0.279 4.629 4.350 -0.000 0.000 0.361 26 T C -2.459 172.087 174.700 -0.257 0.000 1.499 26 T CA -1.758 60.181 62.100 -0.267 0.000 1.529 26 T CB 1.070 69.865 68.868 -0.121 0.000 0.997 26 T HN 0.466 nan 8.240 nan 0.000 0.624 27 P HA 0.103 nan 4.420 nan 0.000 0.237 27 P C 0.138 177.406 177.300 -0.054 0.000 1.178 27 P CA 0.593 63.527 63.100 -0.277 0.000 0.766 27 P CB 0.243 31.728 31.700 -0.357 0.000 0.876 28 D N -2.009 118.369 120.400 -0.037 0.000 2.398 28 D HA 0.016 4.656 4.640 -0.000 0.000 0.210 28 D C 0.324 176.645 176.300 0.036 0.000 1.094 28 D CA -0.359 53.641 54.000 -0.001 0.000 0.839 28 D CB -0.338 40.452 40.800 -0.017 0.000 0.963 28 D HN 0.169 nan 8.370 nan 0.000 0.506 29 Y N 1.874 122.138 120.300 -0.061 0.000 2.526 29 Y HA 0.137 4.687 4.550 -0.000 0.000 0.330 29 Y C -0.179 175.651 175.900 -0.115 0.000 1.156 29 Y CA -0.193 57.859 58.100 -0.081 0.000 1.419 29 Y CB 0.644 39.061 38.460 -0.071 0.000 1.250 29 Y HN -0.337 nan 8.280 nan 0.000 0.540 30 V N 8.582 128.042 119.914 -0.755 0.000 2.333 30 V HA 0.203 4.323 4.120 -0.000 0.000 0.274 30 V C -0.315 175.128 176.094 -1.087 0.000 1.028 30 V CA -0.834 61.060 62.300 -0.675 0.000 0.851 30 V CB 0.665 32.263 31.823 -0.375 0.000 1.000 30 V HN 0.754 nan 8.190 nan 0.000 0.456 31 V N 4.184 123.574 119.914 -0.873 0.000 2.901 31 V HA 0.321 4.441 4.120 -0.000 0.000 0.307 31 V C 0.441 176.298 176.094 -0.396 0.000 1.084 31 V CA -0.352 61.545 62.300 -0.672 0.000 1.184 31 V CB 0.002 31.519 31.823 -0.510 0.000 0.941 31 V HN 0.833 nan 8.190 nan 0.000 0.493 32 R N 2.510 122.874 120.500 -0.226 0.000 2.536 32 R HA 0.353 4.693 4.340 -0.000 0.000 0.279 32 R C 0.270 176.518 176.300 -0.087 0.000 1.001 32 R CA -0.629 55.396 56.100 -0.125 0.000 1.027 32 R CB 0.830 31.104 30.300 -0.044 0.000 1.096 32 R HN 0.767 nan 8.270 nan 0.000 0.502 33 D N 0.358 120.719 120.400 -0.066 0.000 2.348 33 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 33 D C 1.384 177.665 176.300 -0.031 0.000 0.970 33 D CA 1.327 55.298 54.000 -0.048 0.000 0.889 33 D CB 0.171 40.952 40.800 -0.032 0.000 0.912 33 D HN 0.632 nan 8.370 nan 0.000 0.524 34 T N -2.867 111.677 114.554 -0.016 0.000 3.040 34 T HA 0.047 4.397 4.350 -0.000 0.000 0.250 34 T C 0.496 175.200 174.700 0.006 0.000 1.058 34 T CA -0.518 61.585 62.100 0.006 0.000 0.988 34 T CB 0.372 69.257 68.868 0.028 0.000 0.993 34 T HN -0.241 nan 8.240 nan 0.000 0.519 35 D N 1.684 122.084 120.400 -0.000 0.000 2.414 35 D HA 0.328 4.968 4.640 -0.000 0.000 0.242 35 D C -0.195 176.088 176.300 -0.028 0.000 1.129 35 D CA -0.378 53.640 54.000 0.030 0.000 0.885 35 D CB 0.742 41.570 40.800 0.047 0.000 1.198 35 D HN 0.210 nan 8.370 nan 0.000 0.437 36 I N 2.126 122.699 120.570 0.004 0.000 2.371 36 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 36 I C 0.069 176.211 176.117 0.042 0.000 1.028 36 I CA -0.114 61.127 61.300 -0.098 0.000 1.345 36 I CB 0.528 38.328 38.000 -0.334 0.000 1.407 36 I HN 0.048 nan 8.210 nan 0.000 0.501 37 L N 6.218 127.333 121.223 -0.180 0.000 2.325 37 L HA 0.876 5.216 4.340 -0.000 0.000 0.278 37 L C -0.035 176.706 176.870 -0.214 0.000 1.023 37 L CA -0.767 53.954 54.840 -0.199 0.000 0.811 37 L CB 1.482 43.192 42.059 -0.583 0.000 1.249 37 L HN 0.649 nan 8.230 nan 0.000 0.431 38 A N 1.896 124.778 122.820 0.102 0.000 2.386 38 A HA 0.867 5.187 4.320 -0.000 0.000 0.311 38 A C -0.741 176.870 177.584 0.044 0.000 1.068 38 A CA -0.547 51.501 52.037 0.018 0.000 0.743 38 A CB 1.757 20.753 19.000 -0.006 0.000 1.258 38 A HN 0.753 nan 8.150 nan 0.000 0.429 39 A N 1.844 124.562 122.820 -0.169 0.000 2.277 39 A HA 0.705 5.025 4.320 -0.000 0.000 0.318 39 A C -1.164 176.043 177.584 -0.628 0.000 1.339 39 A CA -0.282 51.447 52.037 -0.514 0.000 0.875 39 A CB -0.228 18.302 19.000 -0.784 0.000 1.158 39 A HN 0.606 nan 8.150 nan 0.000 0.514 40 F N 1.402 121.147 119.950 -0.340 0.000 2.415 40 F HA 0.447 4.973 4.527 -0.000 0.000 0.348 40 F C 1.022 176.670 175.800 -0.255 0.000 1.119 40 F CA -0.282 57.560 58.000 -0.263 0.000 1.069 40 F CB 1.493 40.352 39.000 -0.234 0.000 1.124 40 F HN 0.589 nan 8.300 nan 0.000 0.472 41 R N 5.054 125.543 120.500 -0.020 0.000 2.242 41 R HA 0.382 4.722 4.340 -0.000 0.000 0.334 41 R C -0.852 175.461 176.300 0.021 0.000 1.071 41 R CA -0.209 55.887 56.100 -0.006 0.000 0.922 41 R CB 0.397 30.696 30.300 -0.001 0.000 1.023 41 R HN 0.809 nan 8.270 nan 0.000 0.458 42 M N 3.813 123.435 119.600 0.037 0.000 2.227 42 M HA 0.273 4.753 4.480 -0.000 0.000 0.335 42 M C -1.147 175.203 176.300 0.083 0.000 1.053 42 M CA -0.267 55.046 55.300 0.022 0.000 0.973 42 M CB 2.037 34.642 32.600 0.008 0.000 1.623 42 M HN 0.436 nan 8.290 nan 0.000 0.434 43 T N 6.514 121.100 114.554 0.053 0.000 2.963 43 T HA 0.470 4.820 4.350 -0.000 0.000 0.343 43 T C -2.630 172.108 174.700 0.062 0.000 1.146 43 T CA -1.185 60.957 62.100 0.070 0.000 1.016 43 T CB 0.595 69.495 68.868 0.053 0.000 1.046 43 T HN 0.413 nan 8.240 nan 0.000 0.496 44 P HA 0.219 nan 4.420 nan 0.000 0.276 44 P C 0.004 177.333 177.300 0.048 0.000 1.252 44 P CA -0.756 62.372 63.100 0.047 0.000 0.802 44 P CB 0.622 32.345 31.700 0.037 0.000 1.035 45 Q N 0.969 120.790 119.800 0.035 0.000 2.454 45 Q HA 0.183 4.523 4.340 -0.000 0.000 0.247 45 Q C -1.997 174.023 176.000 0.033 0.000 1.028 45 Q CA -1.348 54.474 55.803 0.032 0.000 0.910 45 Q CB -0.896 27.859 28.738 0.029 0.000 1.276 45 Q HN 0.328 nan 8.270 nan 0.000 0.489 46 P HA -0.009 nan 4.420 nan 0.000 0.264 46 P C 0.416 177.729 177.300 0.023 0.000 1.193 46 P CA 0.876 63.992 63.100 0.028 0.000 0.763 46 P CB 0.221 31.934 31.700 0.021 0.000 0.810 47 G N 1.360 110.173 108.800 0.021 0.000 2.143 47 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 47 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 47 G C -0.120 174.786 174.900 0.010 0.000 0.991 47 G CA -0.184 44.925 45.100 0.014 0.000 0.689 47 G HN 0.528 nan 8.290 nan 0.000 0.522 48 V N 1.702 121.621 119.914 0.008 0.000 2.334 48 V HA 0.444 4.564 4.120 -0.000 0.000 0.281 48 V C -1.627 174.442 176.094 -0.041 0.000 1.016 48 V CA -1.664 60.633 62.300 -0.005 0.000 0.832 48 V CB 1.735 33.562 31.823 0.006 0.000 0.999 48 V HN 0.131 nan 8.190 nan 0.000 0.439 49 P HA 0.177 nan 4.420 nan 0.000 0.269 49 P C -2.066 175.101 177.300 -0.222 0.000 1.209 49 P CA -1.133 61.890 63.100 -0.129 0.000 0.776 49 P CB 0.241 31.869 31.700 -0.121 0.000 0.876 50 P HA -0.204 nan 4.420 nan 0.000 0.216 50 P C 1.154 178.186 177.300 -0.447 0.000 1.153 50 P CA 1.556 64.314 63.100 -0.571 0.000 0.858 50 P CB 0.041 31.139 31.700 -1.003 0.000 0.789 51 E N -0.512 119.398 120.200 -0.484 0.000 2.058 51 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 51 E C 2.057 178.424 176.600 -0.389 0.000 0.997 51 E CA 1.375 57.375 56.400 -0.666 0.000 0.801 51 E CB -0.661 28.541 29.700 -0.830 0.000 0.746 51 E HN 0.257 nan 8.360 nan 0.000 0.450 52 E N -0.024 120.037 120.200 -0.231 0.000 2.106 52 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 52 E C 1.913 178.449 176.600 -0.106 0.000 0.984 52 E CA 0.947 57.296 56.400 -0.084 0.000 0.806 52 E CB -0.522 29.166 29.700 -0.021 0.000 0.750 52 E HN 0.304 nan 8.360 nan 0.000 0.458 53 C N -0.422 118.779 119.300 -0.165 0.000 2.453 53 C HA 0.068 4.528 4.460 -0.000 0.000 0.277 53 C C 2.699 177.523 174.990 -0.278 0.000 1.262 53 C CA 1.388 60.286 59.018 -0.199 0.000 1.718 53 C CB -1.360 26.279 27.740 -0.169 0.000 2.031 53 C HN 0.638 nan 8.230 nan 0.000 0.480 54 G N -0.229 108.421 108.800 -0.250 0.000 2.432 54 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.219 54 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.219 54 G C 1.910 176.688 174.900 -0.203 0.000 1.135 54 G CA 1.060 46.026 45.100 -0.223 0.000 0.767 54 G HN 0.722 nan 8.290 nan 0.000 0.550 55 A N 1.119 123.851 122.820 -0.148 0.000 1.930 55 A HA 0.332 4.652 4.320 -0.000 0.000 0.217 55 A C 2.802 180.175 177.584 -0.353 0.000 1.175 55 A CA 2.056 54.056 52.037 -0.062 0.000 0.627 55 A CB -0.703 18.369 19.000 0.120 0.000 0.815 55 A HN 0.710 nan 8.150 nan 0.000 0.443 56 A N -0.492 121.976 122.820 -0.586 0.000 1.902 56 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 56 A C 2.222 179.178 177.584 -1.046 0.000 1.181 56 A CA 1.767 53.057 52.037 -1.246 0.000 0.623 56 A CB -0.947 17.440 19.000 -1.022 0.000 0.818 56 A HN 0.372 nan 8.150 nan 0.000 0.443 57 V N -0.156 119.298 119.914 -0.766 0.000 2.295 57 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 57 V C 3.049 178.825 176.094 -0.529 0.000 1.049 57 V CA 2.045 63.910 62.300 -0.724 0.000 1.024 57 V CB -1.175 30.176 31.823 -0.786 0.000 0.648 57 V HN 0.621 nan 8.190 nan 0.000 0.447 58 A N -0.355 122.216 122.820 -0.415 0.000 1.930 58 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 58 A C 2.386 179.753 177.584 -0.360 0.000 1.175 58 A CA 1.933 53.808 52.037 -0.269 0.000 0.627 58 A CB -0.650 18.268 19.000 -0.137 0.000 0.815 58 A HN 0.552 nan 8.150 nan 0.000 0.443 59 A N -0.247 122.139 122.820 -0.724 0.000 1.841 59 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 59 A C 1.821 179.097 177.584 -0.514 0.000 1.195 59 A CA 1.423 52.796 52.037 -1.107 0.000 0.611 59 A CB -0.417 17.771 19.000 -1.353 0.000 0.835 59 A HN 0.442 nan 8.150 nan 0.000 0.443 60 E N 0.538 120.447 120.200 -0.485 0.000 2.511 60 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 60 E C 1.326 177.851 176.600 -0.125 0.000 1.066 60 E CA 0.902 57.154 56.400 -0.247 0.000 0.871 60 E CB -0.105 29.399 29.700 -0.326 0.000 0.863 60 E HN 0.694 nan 8.360 nan 0.000 0.520 61 S N -0.921 114.715 115.700 -0.108 0.000 2.568 61 S HA 0.147 4.617 4.470 -0.000 0.000 0.232 61 S C 1.293 175.973 174.600 0.132 0.000 0.975 61 S CA 0.245 58.474 58.200 0.049 0.000 0.949 61 S CB 0.328 63.619 63.200 0.152 0.000 0.829 61 S HN 0.145 nan 8.310 nan 0.000 0.479 62 S N 1.254 116.991 115.700 0.062 0.000 4.567 62 S HA 0.163 4.633 4.470 -0.000 0.000 0.167 62 S C 1.325 175.951 174.600 0.043 0.000 1.007 62 S CA 0.583 58.838 58.200 0.091 0.000 1.212 62 S CB -0.211 63.100 63.200 0.186 0.000 1.741 62 S HN 0.539 nan 8.310 nan 0.000 0.689 63 T N -0.978 113.622 114.554 0.076 0.000 2.969 63 T HA 0.489 4.838 4.350 -0.000 0.000 0.258 63 T C 0.816 175.578 174.700 0.103 0.000 0.962 63 T CA 0.429 62.588 62.100 0.098 0.000 0.903 63 T CB 0.166 69.140 68.868 0.177 0.000 1.177 63 T HN 0.752 nan 8.240 nan 0.000 0.511 64 G N 0.285 109.120 108.800 0.058 0.000 2.434 64 G HA2 0.572 4.532 3.960 -0.000 0.000 0.330 64 G HA3 0.572 4.532 3.960 -0.000 0.000 0.330 64 G C -0.885 174.078 174.900 0.105 0.000 1.155 64 G CA -0.283 44.873 45.100 0.094 0.000 0.917 64 G HN 0.268 nan 8.290 nan 0.000 0.493 65 T N -0.984 113.663 114.554 0.154 0.000 2.645 65 T HA 0.424 4.773 4.350 -0.000 0.000 0.273 65 T C 0.669 175.509 174.700 0.233 0.000 0.960 65 T CA -0.489 61.747 62.100 0.228 0.000 1.051 65 T CB 0.803 69.762 68.868 0.152 0.000 1.366 65 T HN 0.676 nan 8.240 nan 0.000 0.536 66 W N 0.772 122.164 121.300 0.152 0.000 2.800 66 W HA 0.297 4.957 4.660 -0.000 0.000 0.249 66 W C 0.260 176.754 176.519 -0.042 0.000 1.294 66 W CA 0.425 57.813 57.345 0.071 0.000 1.402 66 W CB -1.000 28.519 29.460 0.099 0.000 1.126 66 W HN 0.539 nan 8.180 nan 0.000 0.652 67 T N 1.027 115.104 114.554 -0.795 0.000 2.900 67 T HA 0.324 4.674 4.350 -0.000 0.000 0.303 67 T C -0.459 174.005 174.700 -0.394 0.000 1.142 67 T CA -0.330 61.325 62.100 -0.743 0.000 1.007 67 T CB 1.734 69.776 68.868 -1.377 0.000 1.156 67 T HN -0.188 nan 8.240 nan 0.000 0.490 68 T N 2.866 117.301 114.554 -0.197 0.000 2.888 68 T HA 0.430 4.780 4.350 -0.000 0.000 0.301 68 T C 0.306 175.062 174.700 0.093 0.000 1.001 68 T CA -0.355 61.736 62.100 -0.014 0.000 1.147 68 T CB 0.118 69.018 68.868 0.054 0.000 0.931 68 T HN 0.696 nan 8.240 nan 0.000 0.541 69 V N 2.838 122.775 119.914 0.039 0.000 2.581 69 V HA 0.467 4.587 4.120 -0.000 0.000 0.303 69 V C 1.187 177.158 176.094 -0.205 0.000 1.041 69 V CA -1.217 61.030 62.300 -0.089 0.000 0.907 69 V CB 1.333 33.015 31.823 -0.235 0.000 0.994 69 V HN 1.051 nan 8.190 nan 0.000 0.442 70 W N 2.581 123.495 121.300 -0.643 0.000 2.425 70 W HA -0.107 4.553 4.660 -0.000 0.000 0.277 70 W C 1.417 177.718 176.519 -0.363 0.000 1.231 70 W CA 1.476 58.273 57.345 -0.915 0.000 1.248 70 W CB -1.608 26.966 29.460 -1.476 0.000 1.117 70 W HN 0.756 nan 8.180 nan 0.000 0.568 71 T N -1.242 112.695 114.554 -1.029 0.000 3.051 71 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 71 T C 1.066 175.554 174.700 -0.353 0.000 1.127 71 T CA 1.477 63.031 62.100 -0.909 0.000 1.107 71 T CB -0.544 67.700 68.868 -1.040 0.000 0.898 71 T HN -0.083 nan 8.240 nan 0.000 0.517 72 D N 2.098 122.368 120.400 -0.216 0.000 2.149 72 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 72 D C 2.361 178.646 176.300 -0.025 0.000 0.990 72 D CA 1.412 55.363 54.000 -0.082 0.000 0.839 72 D CB -0.902 39.885 40.800 -0.021 0.000 0.948 72 D HN 0.592 nan 8.370 nan 0.000 0.460 73 G N 0.192 108.999 108.800 0.012 0.000 2.471 73 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.219 73 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.219 73 G C 1.633 176.564 174.900 0.052 0.000 1.125 73 G CA 0.079 45.214 45.100 0.058 0.000 0.775 73 G HN 0.272 nan 8.290 nan 0.000 0.548 74 L N -0.291 120.948 121.223 0.026 0.000 2.313 74 L HA 0.117 4.457 4.340 -0.000 0.000 0.214 74 L C 1.905 178.786 176.870 0.018 0.000 1.119 74 L CA 0.619 55.475 54.840 0.028 0.000 0.809 74 L CB -0.134 41.927 42.059 0.003 0.000 0.933 74 L HN 0.241 nan 8.230 nan 0.000 0.449 75 T N -2.345 112.217 114.554 0.012 0.000 2.735 75 T HA 0.259 4.609 4.350 -0.000 0.000 0.262 75 T C -0.233 174.523 174.700 0.094 0.000 0.955 75 T CA -0.434 61.704 62.100 0.062 0.000 1.022 75 T CB 1.843 70.728 68.868 0.029 0.000 1.455 75 T HN -0.088 nan 8.240 nan 0.000 0.583 76 S N 1.465 117.270 115.700 0.174 0.000 2.532 76 S HA 0.349 4.819 4.470 -0.000 0.000 0.256 76 S C 0.891 175.557 174.600 0.111 0.000 1.298 76 S CA -0.688 57.567 58.200 0.093 0.000 1.166 76 S CB 0.194 63.404 63.200 0.017 0.000 1.022 76 S HN 0.563 nan 8.310 nan 0.000 0.480 77 L N 4.002 125.264 121.223 0.065 0.000 2.043 77 L HA -0.065 4.274 4.340 -0.000 0.000 0.212 77 L C 1.893 178.745 176.870 -0.031 0.000 1.075 77 L CA 2.016 56.879 54.840 0.038 0.000 0.752 77 L CB -0.574 41.468 42.059 -0.028 0.000 0.891 77 L HN 0.593 nan 8.230 nan 0.000 0.432 78 D N -1.008 119.348 120.400 -0.073 0.000 2.191 78 D HA -0.265 4.375 4.640 -0.000 0.000 0.195 78 D C 2.361 178.575 176.300 -0.143 0.000 1.003 78 D CA 1.308 55.242 54.000 -0.110 0.000 0.867 78 D CB -0.104 40.644 40.800 -0.086 0.000 0.926 78 D HN 0.316 nan 8.370 nan 0.000 0.450 79 R N -1.165 119.213 120.500 -0.204 0.000 2.119 79 R HA -0.079 4.261 4.340 -0.000 0.000 0.222 79 R C 1.428 177.455 176.300 -0.455 0.000 1.088 79 R CA 0.849 56.706 56.100 -0.404 0.000 0.984 79 R CB 0.104 29.999 30.300 -0.674 0.000 0.884 79 R HN 0.249 nan 8.270 nan 0.000 0.447 80 Y N 0.439 120.719 120.300 -0.033 0.000 2.498 80 Y HA 0.139 4.689 4.550 -0.000 0.000 0.259 80 Y C 0.163 176.058 175.900 -0.008 0.000 1.086 80 Y CA -0.285 57.801 58.100 -0.023 0.000 1.287 80 Y CB 0.210 38.655 38.460 -0.025 0.000 1.146 80 Y HN -0.094 nan 8.280 nan 0.000 0.523 81 K N 1.359 121.820 120.400 0.102 0.000 2.448 81 K HA 0.295 4.615 4.320 -0.000 0.000 0.278 81 K C 0.601 177.235 176.600 0.058 0.000 1.009 81 K CA 0.140 56.497 56.287 0.116 0.000 0.995 81 K CB 0.579 33.068 32.500 -0.017 0.000 0.917 81 K HN 0.141 nan 8.250 nan 0.000 0.481 82 G N 2.665 111.538 108.800 0.121 0.000 2.527 82 G HA2 0.216 4.176 3.960 -0.000 0.000 0.248 82 G HA3 0.216 4.176 3.960 -0.000 0.000 0.248 82 G C -0.793 174.081 174.900 -0.043 0.000 1.231 82 G CA -0.892 44.168 45.100 -0.066 0.000 0.838 82 G HN 0.662 nan 8.290 nan 0.000 0.570 83 R N 0.380 120.782 120.500 -0.163 0.000 2.483 83 R HA 0.261 4.601 4.340 -0.000 0.000 0.303 83 R C -1.016 175.319 176.300 0.058 0.000 0.987 83 R CA -0.625 55.422 56.100 -0.088 0.000 0.881 83 R CB 1.708 31.800 30.300 -0.347 0.000 1.177 83 R HN 0.523 nan 8.270 nan 0.000 0.451 84 C N 5.091 124.446 119.300 0.092 0.000 2.540 84 C HA 0.183 4.643 4.460 -0.000 0.000 0.377 84 C C 0.967 176.061 174.990 0.173 0.000 1.274 84 C CA -0.299 58.799 59.018 0.133 0.000 1.718 84 C CB -1.166 26.676 27.740 0.170 0.000 2.391 84 C HN 0.985 nan 8.230 nan 0.000 0.565 85 Y N 2.030 122.415 120.300 0.142 0.000 2.453 85 Y HA 0.530 5.080 4.550 -0.000 0.000 0.247 85 Y C 0.156 176.120 175.900 0.107 0.000 1.124 85 Y CA -0.467 57.689 58.100 0.093 0.000 1.243 85 Y CB 0.109 38.686 38.460 0.196 0.000 1.213 85 Y HN 0.494 nan 8.280 nan 0.000 0.523 86 D N 0.708 121.028 120.400 -0.135 0.000 2.769 86 D HA 0.438 5.078 4.640 -0.000 0.000 0.219 86 D C -1.618 174.779 176.300 0.162 0.000 1.245 86 D CA -0.346 53.654 54.000 0.001 0.000 0.801 86 D CB 2.153 42.842 40.800 -0.184 0.000 1.598 86 D HN 0.203 nan 8.370 nan 0.000 0.485 87 I N 2.030 122.722 120.570 0.202 0.000 2.478 87 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 87 I C -0.370 175.875 176.117 0.213 0.000 1.042 87 I CA -0.664 60.748 61.300 0.187 0.000 1.067 87 I CB 2.232 40.271 38.000 0.064 0.000 1.233 87 I HN 0.188 nan 8.210 nan 0.000 0.431 88 E N 8.045 128.408 120.200 0.271 0.000 2.176 88 E HA 0.432 4.782 4.350 -0.000 0.000 0.267 88 E C -2.490 174.265 176.600 0.259 0.000 0.893 88 E CA -2.082 54.470 56.400 0.254 0.000 0.761 88 E CB 2.203 32.093 29.700 0.318 0.000 1.133 88 E HN 0.227 nan 8.360 nan 0.000 0.409 89 P HA 0.027 nan 4.420 nan 0.000 0.275 89 P C -0.522 176.785 177.300 0.011 0.000 1.227 89 P CA -0.268 62.899 63.100 0.112 0.000 0.781 89 P CB 0.969 32.727 31.700 0.097 0.000 0.906 90 V N 5.427 125.279 119.914 -0.104 0.000 2.364 90 V HA 0.201 4.320 4.120 -0.000 0.000 0.272 90 V C -1.729 174.327 176.094 -0.062 0.000 1.036 90 V CA -1.821 60.442 62.300 -0.062 0.000 0.880 90 V CB 0.654 32.432 31.823 -0.074 0.000 0.991 90 V HN 0.569 nan 8.190 nan 0.000 0.460 91 P HA 0.176 nan 4.420 nan 0.000 0.263 91 P C 0.893 178.178 177.300 -0.025 0.000 1.195 91 P CA 1.035 64.121 63.100 -0.022 0.000 0.762 91 P CB 0.888 32.582 31.700 -0.010 0.000 0.799 92 G N 1.673 110.456 108.800 -0.027 0.000 2.175 92 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.244 92 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.244 92 G C -0.146 174.734 174.900 -0.034 0.000 0.982 92 G CA -0.279 44.807 45.100 -0.023 0.000 0.641 92 G HN 0.574 nan 8.290 nan 0.000 0.527 93 E N 0.153 120.316 120.200 -0.061 0.000 2.234 93 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 93 E C -0.155 176.372 176.600 -0.122 0.000 0.877 93 E CA -0.565 55.784 56.400 -0.085 0.000 0.758 93 E CB 1.595 31.233 29.700 -0.104 0.000 1.170 93 E HN 0.132 nan 8.360 nan 0.000 0.415 94 D N 0.935 121.279 120.400 -0.093 0.000 2.194 94 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 94 D C 0.840 177.065 176.300 -0.126 0.000 0.964 94 D CA 0.853 54.804 54.000 -0.083 0.000 0.846 94 D CB 0.246 41.025 40.800 -0.034 0.000 0.962 94 D HN 0.190 nan 8.370 nan 0.000 0.490 95 N N -0.148 118.464 118.700 -0.148 0.000 2.451 95 N HA 0.098 4.838 4.740 -0.000 0.000 0.271 95 N C -1.224 174.163 175.510 -0.205 0.000 1.410 95 N CA -0.097 52.882 53.050 -0.117 0.000 0.884 95 N CB 0.432 38.919 38.487 0.001 0.000 1.332 95 N HN -0.038 nan 8.380 nan 0.000 0.498 96 Q N 0.296 119.826 119.800 -0.449 0.000 2.353 96 Q HA 0.411 4.751 4.340 -0.000 0.000 0.268 96 Q C -1.568 174.057 176.000 -0.626 0.000 1.045 96 Q CA -0.680 54.920 55.803 -0.338 0.000 0.811 96 Q CB 1.671 30.316 28.738 -0.156 0.000 1.305 96 Q HN 0.216 nan 8.270 nan 0.000 0.447 97 Y N 1.486 121.783 120.300 -0.004 0.000 2.524 97 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 97 Y C -0.378 175.511 175.900 -0.018 0.000 1.005 97 Y CA -1.123 56.975 58.100 -0.003 0.000 1.025 97 Y CB 1.464 39.915 38.460 -0.015 0.000 1.275 97 Y HN 0.424 nan 8.280 nan 0.000 0.460 98 I N 2.765 123.421 120.570 0.143 0.000 2.297 98 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 98 I C 0.039 176.131 176.117 -0.040 0.000 1.033 98 I CA -0.592 60.700 61.300 -0.014 0.000 1.253 98 I CB 0.392 38.376 38.000 -0.026 0.000 1.396 98 I HN 0.695 nan 8.210 nan 0.000 0.476 99 A N 7.479 130.247 122.820 -0.087 0.000 2.260 99 A HA 0.607 4.927 4.320 -0.000 0.000 0.314 99 A C -1.090 176.418 177.584 -0.126 0.000 1.257 99 A CA -0.396 51.620 52.037 -0.035 0.000 0.871 99 A CB 0.247 19.238 19.000 -0.016 0.000 1.166 99 A HN 0.527 nan 8.150 nan 0.000 0.522 100 Y N 1.774 122.014 120.300 -0.101 0.000 2.327 100 Y HA 0.445 4.995 4.550 -0.000 0.000 0.336 100 Y C 0.238 175.997 175.900 -0.235 0.000 1.035 100 Y CA -0.205 57.769 58.100 -0.211 0.000 1.165 100 Y CB 1.519 39.622 38.460 -0.595 0.000 1.181 100 Y HN 0.395 nan 8.280 nan 0.000 0.494 101 V N 3.120 123.140 119.914 0.177 0.000 2.555 101 V HA 0.796 4.916 4.120 -0.000 0.000 0.302 101 V C -0.242 175.970 176.094 0.196 0.000 1.038 101 V CA -1.100 61.274 62.300 0.122 0.000 0.887 101 V CB 1.551 33.383 31.823 0.015 0.000 0.991 101 V HN 0.846 nan 8.190 nan 0.000 0.434 102 A N 4.193 127.101 122.820 0.147 0.000 2.318 102 A HA 0.887 5.207 4.320 -0.000 0.000 0.324 102 A C -1.285 176.195 177.584 -0.173 0.000 1.170 102 A CA -0.357 51.733 52.037 0.089 0.000 0.810 102 A CB 0.614 19.714 19.000 0.168 0.000 1.198 102 A HN 0.731 nan 8.150 nan 0.000 0.484 106 D N 1.678 122.164 120.400 0.143 0.000 2.228 106 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 106 D C 2.031 178.377 176.300 0.077 0.000 0.988 106 D CA 1.406 55.494 54.000 0.147 0.000 0.864 106 D CB -0.038 40.900 40.800 0.231 0.000 0.928 106 D HN 0.435 nan 8.370 nan 0.000 0.469 107 L N -0.908 120.284 121.223 -0.050 0.000 2.376 107 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 107 L C 0.181 176.708 176.870 -0.571 0.000 1.133 107 L CA 0.333 54.944 54.840 -0.380 0.000 0.816 107 L CB -0.181 41.494 42.059 -0.640 0.000 0.933 107 L HN -0.086 nan 8.230 nan 0.000 0.449 108 F N -0.311 119.606 119.950 -0.055 0.000 2.443 108 F HA 0.287 4.814 4.527 -0.000 0.000 0.335 108 F C 0.668 176.507 175.800 0.065 0.000 1.104 108 F CA -1.142 56.825 58.000 -0.056 0.000 1.013 108 F CB 0.987 39.789 39.000 -0.329 0.000 1.136 108 F HN -0.175 nan 8.300 nan 0.000 0.470 109 E N 2.107 122.460 120.200 0.255 0.000 2.366 109 E HA 0.067 4.417 4.350 -0.000 0.000 0.266 109 E C -0.691 176.046 176.600 0.228 0.000 1.015 109 E CA -0.501 56.007 56.400 0.180 0.000 0.906 109 E CB 0.503 30.263 29.700 0.100 0.000 0.979 109 E HN 0.493 nan 8.360 nan 0.000 0.443 110 E N 2.774 123.048 120.200 0.124 0.000 2.558 110 E HA 0.141 4.491 4.350 -0.000 0.000 0.255 110 E C 0.882 177.257 176.600 -0.376 0.000 0.968 110 E CA 1.394 57.761 56.400 -0.055 0.000 0.939 110 E CB 0.468 30.136 29.700 -0.052 0.000 0.921 110 E HN 0.809 nan 8.360 nan 0.000 0.477 111 G N 2.550 110.718 108.800 -1.053 0.000 2.143 111 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.249 111 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.249 111 G C 0.297 174.677 174.900 -0.866 0.000 0.981 111 G CA 0.337 44.575 45.100 -1.436 0.000 0.665 111 G HN 0.601 nan 8.290 nan 0.000 0.528 112 S N -0.394 115.054 115.700 -0.421 0.000 2.667 112 S HA 0.544 5.014 4.470 -0.000 0.000 0.304 112 S C 1.456 176.211 174.600 0.258 0.000 1.135 112 S CA 0.166 58.384 58.200 0.031 0.000 1.125 112 S CB 1.332 64.559 63.200 0.046 0.000 0.996 112 S HN 0.617 nan 8.310 nan 0.000 0.474 113 V N 4.804 124.862 119.914 0.241 0.000 2.407 113 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 113 V C 2.593 178.581 176.094 -0.176 0.000 1.055 113 V CA 2.435 64.693 62.300 -0.070 0.000 1.049 113 V CB -1.071 30.410 31.823 -0.569 0.000 0.662 113 V HN 0.850 nan 8.190 nan 0.000 0.455 114 T N 0.189 114.693 114.554 -0.083 0.000 2.635 114 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 114 T C 1.938 176.715 174.700 0.129 0.000 1.040 114 T CA 2.074 64.192 62.100 0.029 0.000 1.156 114 T CB -0.510 68.413 68.868 0.093 0.000 0.863 114 T HN 0.578 nan 8.240 nan 0.000 0.430 115 N N 0.511 119.306 118.700 0.158 0.000 2.166 115 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 115 N C 2.106 177.785 175.510 0.282 0.000 1.019 115 N CA 1.189 54.354 53.050 0.192 0.000 0.856 115 N CB -0.225 38.373 38.487 0.185 0.000 0.993 115 N HN 0.418 nan 8.380 nan 0.000 0.426 116 M N -0.341 119.487 119.600 0.380 0.000 2.086 116 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 116 M C 1.529 178.013 176.300 0.306 0.000 1.067 116 M CA 1.497 57.048 55.300 0.419 0.000 1.116 116 M CB -0.199 32.567 32.600 0.275 0.000 1.348 116 M HN 0.013 nan 8.290 nan 0.000 0.407 117 F N 0.655 120.617 119.950 0.020 0.000 2.171 117 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 117 F C 2.508 178.337 175.800 0.048 0.000 1.090 117 F CA 1.824 59.827 58.000 0.006 0.000 1.293 117 F CB -1.199 37.783 39.000 -0.030 0.000 1.013 117 F HN 0.195 nan 8.300 nan 0.000 0.486 118 T N -1.257 113.441 114.554 0.240 0.000 2.746 118 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 118 T C 2.343 177.102 174.700 0.099 0.000 1.039 118 T CA 1.682 63.873 62.100 0.151 0.000 1.142 118 T CB -0.391 68.550 68.868 0.121 0.000 0.866 118 T HN 0.149 nan 8.240 nan 0.000 0.444 119 S N 0.826 116.571 115.700 0.075 0.000 2.329 119 S HA 0.087 4.557 4.470 -0.000 0.000 0.215 119 S C 2.073 176.682 174.600 0.015 0.000 1.031 119 S CA 0.806 59.005 58.200 -0.000 0.000 0.985 119 S CB -0.340 62.782 63.200 -0.130 0.000 0.917 119 S HN 0.380 nan 8.310 nan 0.000 0.441 120 I N 1.515 122.075 120.570 -0.017 0.000 2.315 120 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 120 I C 1.628 177.882 176.117 0.228 0.000 1.117 120 I CA 1.048 62.359 61.300 0.019 0.000 1.404 120 I CB -0.109 37.805 38.000 -0.143 0.000 1.071 120 I HN 0.257 nan 8.210 nan 0.000 0.419 121 V N -2.822 117.165 119.914 0.122 0.000 3.176 121 V HA 0.471 4.590 4.120 -0.000 0.000 0.332 121 V C 1.525 177.703 176.094 0.139 0.000 1.414 121 V CA 0.269 62.682 62.300 0.189 0.000 1.133 121 V CB -0.355 31.367 31.823 -0.168 0.000 1.088 121 V HN 0.228 nan 8.190 nan 0.000 0.473 122 G N 1.626 110.515 108.800 0.148 0.000 2.434 122 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 122 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 122 G C 1.206 176.199 174.900 0.155 0.000 1.202 122 G CA 1.244 46.420 45.100 0.127 0.000 0.788 122 G HN 0.537 nan 8.290 nan 0.000 0.539 123 N N -0.606 118.205 118.700 0.185 0.000 2.360 123 N HA 0.006 4.746 4.740 -0.000 0.000 0.211 123 N C 2.295 177.986 175.510 0.300 0.000 1.147 123 N CA 0.879 54.063 53.050 0.224 0.000 0.866 123 N CB 0.332 38.950 38.487 0.217 0.000 1.206 123 N HN 0.237 nan 8.380 nan 0.000 0.478 124 V N -0.935 119.094 119.914 0.190 0.000 2.568 124 V HA -0.100 4.020 4.120 -0.000 0.000 0.253 124 V C 1.677 177.790 176.094 0.032 0.000 1.072 124 V CA 1.354 63.628 62.300 -0.043 0.000 1.084 124 V CB -1.205 30.384 31.823 -0.389 0.000 0.676 124 V HN -0.053 nan 8.190 nan 0.000 0.469 125 F N 2.460 122.446 119.950 0.060 0.000 2.451 125 F HA 0.262 4.789 4.527 -0.000 0.000 0.299 125 F C 2.367 178.284 175.800 0.195 0.000 1.101 125 F CA 1.137 59.209 58.000 0.121 0.000 1.436 125 F CB -0.794 38.268 39.000 0.104 0.000 1.074 125 F HN 0.327 nan 8.300 nan 0.000 0.553 126 G N -1.605 107.401 108.800 0.343 0.000 3.088 126 G HA2 0.007 3.967 3.960 -0.000 0.000 0.217 126 G HA3 0.007 3.967 3.960 -0.000 0.000 0.217 126 G C 0.220 175.211 174.900 0.151 0.000 1.159 126 G CA -0.238 44.992 45.100 0.215 0.000 0.760 126 G HN 0.025 nan 8.290 nan 0.000 0.550 127 F N 1.331 121.288 119.950 0.011 0.000 2.608 127 F HA 0.176 4.702 4.527 -0.000 0.000 0.380 127 F C 1.756 177.546 175.800 -0.017 0.000 1.083 127 F CA 0.248 58.234 58.000 -0.022 0.000 1.266 127 F CB 1.059 40.016 39.000 -0.073 0.000 1.076 127 F HN -0.056 nan 8.300 nan 0.000 0.574 128 K N 2.671 123.054 120.400 -0.028 0.000 2.211 128 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 128 K C 1.934 178.568 176.600 0.057 0.000 1.050 128 K CA 1.110 57.392 56.287 -0.007 0.000 0.945 128 K CB -0.104 32.355 32.500 -0.069 0.000 0.732 128 K HN 0.713 nan 8.250 nan 0.000 0.451 129 A N 1.129 124.030 122.820 0.134 0.000 2.168 129 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 129 A C 0.655 178.280 177.584 0.069 0.000 1.152 129 A CA 0.575 52.682 52.037 0.117 0.000 0.716 129 A CB -0.441 18.663 19.000 0.173 0.000 0.794 129 A HN 0.232 nan 8.150 nan 0.000 0.465 130 L N -5.850 115.416 121.223 0.072 0.000 2.354 130 L HA 0.674 5.014 4.340 -0.000 0.000 0.264 130 L C 0.491 177.389 176.870 0.047 0.000 1.008 130 L CA -0.817 54.044 54.840 0.034 0.000 0.819 130 L CB 1.450 43.498 42.059 -0.019 0.000 1.339 130 L HN -0.018 nan 8.230 nan 0.000 0.420 131 R N 1.387 121.912 120.500 0.042 0.000 2.156 131 R HA 0.672 5.012 4.340 -0.000 0.000 0.207 131 R C 0.049 176.383 176.300 0.057 0.000 1.040 131 R CA 0.721 56.844 56.100 0.038 0.000 1.013 131 R CB 0.366 30.684 30.300 0.031 0.000 0.931 131 R HN 0.839 nan 8.270 nan 0.000 0.465 132 A N 0.787 123.669 122.820 0.102 0.000 2.604 132 A HA 0.623 4.943 4.320 -0.000 0.000 0.295 132 A C -2.036 175.652 177.584 0.173 0.000 1.067 132 A CA -0.614 51.567 52.037 0.240 0.000 0.683 132 A CB 1.776 20.890 19.000 0.190 0.000 1.281 132 A HN 0.048 nan 8.150 nan 0.000 0.407 133 L N 0.649 122.000 121.223 0.213 0.000 2.526 133 L HA 0.757 5.097 4.340 -0.000 0.000 0.263 133 L C -0.735 176.062 176.870 -0.122 0.000 0.943 133 L CA -0.089 54.649 54.840 -0.169 0.000 0.859 133 L CB 1.945 43.607 42.059 -0.663 0.000 1.313 133 L HN 0.814 nan 8.230 nan 0.000 0.406 134 R N 4.089 124.600 120.500 0.017 0.000 2.514 134 R HA 0.509 4.849 4.340 -0.000 0.000 0.296 134 R C -1.732 174.652 176.300 0.141 0.000 1.012 134 R CA -0.918 55.272 56.100 0.151 0.000 0.897 134 R CB 1.720 32.081 30.300 0.102 0.000 1.184 134 R HN 0.669 nan 8.270 nan 0.000 0.440 135 L N 4.799 126.148 121.223 0.210 0.000 2.385 135 L HA 0.166 4.505 4.340 -0.000 0.000 0.281 135 L C 0.942 177.729 176.870 -0.138 0.000 1.106 135 L CA 0.618 55.394 54.840 -0.106 0.000 0.856 135 L CB 0.855 42.851 42.059 -0.105 0.000 1.186 135 L HN 0.671 nan 8.230 nan 0.000 0.453 136 E N 2.223 122.242 120.200 -0.303 0.000 2.140 136 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 136 E C -0.165 176.266 176.600 -0.280 0.000 0.973 136 E CA 0.603 56.802 56.400 -0.336 0.000 0.829 136 E CB 0.342 29.588 29.700 -0.756 0.000 0.781 136 E HN 0.665 nan 8.360 nan 0.000 0.466 137 D N -1.123 119.102 120.400 -0.293 0.000 2.654 137 D HA 0.382 5.022 4.640 -0.000 0.000 0.231 137 D C -1.458 174.892 176.300 0.083 0.000 1.239 137 D CA -0.448 53.535 54.000 -0.028 0.000 0.790 137 D CB 1.463 42.309 40.800 0.077 0.000 1.480 137 D HN -0.155 nan 8.370 nan 0.000 0.442 138 L N 1.431 122.707 121.223 0.089 0.000 2.381 138 L HA 0.534 4.873 4.340 -0.000 0.000 0.268 138 L C -0.065 176.719 176.870 -0.144 0.000 0.997 138 L CA -0.924 53.876 54.840 -0.068 0.000 0.818 138 L CB 2.193 44.167 42.059 -0.142 0.000 1.310 138 L HN 0.152 nan 8.230 nan 0.000 0.416 139 R N 4.154 124.362 120.500 -0.486 0.000 2.204 139 R HA 0.371 4.710 4.340 -0.000 0.000 0.341 139 R C -0.936 175.151 176.300 -0.355 0.000 1.035 139 R CA -0.647 55.169 56.100 -0.474 0.000 0.887 139 R CB 0.433 30.274 30.300 -0.765 0.000 1.114 139 R HN 0.433 nan 8.270 nan 0.000 0.473 140 I N 7.603 127.967 120.570 -0.342 0.000 2.301 140 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 140 I C -1.939 174.023 176.117 -0.259 0.000 1.046 140 I CA -2.705 58.423 61.300 -0.286 0.000 1.282 140 I CB 0.850 38.644 38.000 -0.343 0.000 1.409 140 I HN 0.228 nan 8.210 nan 0.000 0.484 141 P HA 0.241 nan 4.420 nan 0.000 0.274 141 P C -2.260 175.020 177.300 -0.033 0.000 1.231 141 P CA -1.511 61.534 63.100 -0.091 0.000 0.790 141 P CB 0.425 32.098 31.700 -0.044 0.000 0.951 142 P HA -0.190 nan 4.420 nan 0.000 0.216 142 P C 1.493 178.835 177.300 0.070 0.000 1.150 142 P CA 2.142 65.257 63.100 0.024 0.000 0.843 142 P CB -0.494 31.227 31.700 0.035 0.000 0.787 143 A N -2.134 120.733 122.820 0.078 0.000 2.024 143 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 143 A C 2.159 179.861 177.584 0.197 0.000 1.164 143 A CA 1.437 53.541 52.037 0.111 0.000 0.643 143 A CB -1.584 17.471 19.000 0.092 0.000 0.806 143 A HN 0.171 nan 8.150 nan 0.000 0.451 144 Y N -0.339 119.989 120.300 0.046 0.000 2.343 144 Y HA 0.027 4.577 4.550 -0.000 0.000 0.294 144 Y C 2.352 178.391 175.900 0.233 0.000 1.122 144 Y CA 0.816 58.980 58.100 0.107 0.000 1.173 144 Y CB -0.308 38.171 38.460 0.031 0.000 1.077 144 Y HN 0.033 nan 8.280 nan 0.000 0.542 145 V N 1.085 121.064 119.914 0.109 0.000 2.317 145 V HA -0.381 3.738 4.120 -0.000 0.000 0.251 145 V C 2.287 178.483 176.094 0.170 0.000 1.065 145 V CA 2.258 64.606 62.300 0.080 0.000 1.049 145 V CB -0.601 31.264 31.823 0.070 0.000 0.651 145 V HN 0.271 nan 8.190 nan 0.000 0.450 146 K N 0.510 120.985 120.400 0.125 0.000 2.360 146 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 146 K C 2.079 178.715 176.600 0.060 0.000 1.046 146 K CA 1.679 58.023 56.287 0.095 0.000 0.940 146 K CB -0.917 31.628 32.500 0.075 0.000 0.748 146 K HN 0.783 nan 8.250 nan 0.000 0.465 147 T N -2.030 112.539 114.554 0.025 0.000 3.148 147 T HA 0.062 4.412 4.350 -0.000 0.000 0.253 147 T C 0.416 174.928 174.700 -0.312 0.000 1.134 147 T CA -0.138 61.869 62.100 -0.156 0.000 1.051 147 T CB -0.271 68.431 68.868 -0.276 0.000 0.959 147 T HN -0.152 nan 8.240 nan 0.000 0.525 148 F N 0.436 120.300 119.950 -0.143 0.000 2.436 148 F HA 0.532 5.058 4.527 -0.000 0.000 0.340 148 F C 1.293 177.048 175.800 -0.076 0.000 1.113 148 F CA -1.400 56.526 58.000 -0.124 0.000 1.022 148 F CB 1.663 40.576 39.000 -0.146 0.000 1.128 148 F HN -0.255 nan 8.300 nan 0.000 0.466 149 V N 2.592 122.547 119.914 0.068 0.000 2.332 149 V HA -0.049 4.071 4.120 -0.000 0.000 0.248 149 V C 1.404 177.517 176.094 0.032 0.000 1.055 149 V CA 1.688 64.004 62.300 0.026 0.000 1.038 149 V CB -1.332 30.486 31.823 -0.009 0.000 0.651 149 V HN 1.160 nan 8.190 nan 0.000 0.450 153 H N -0.914 118.132 119.070 -0.041 0.000 1.855 153 H HA 0.473 5.029 4.556 -0.000 0.000 0.178 153 H C 1.001 176.317 175.328 -0.020 0.000 0.923 153 H CA 1.060 57.094 56.048 -0.024 0.000 0.993 153 H CB 0.488 30.240 29.762 -0.017 0.000 1.078 153 H HN 0.285 nan 8.280 nan 0.000 0.349 154 G N 1.380 110.237 108.800 0.095 0.000 2.746 154 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.685 154 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.685 154 G C 0.861 175.801 174.900 0.066 0.000 1.350 154 G CA -0.042 45.080 45.100 0.037 0.000 0.837 154 G HN 0.208 nan 8.290 nan 0.000 0.564 155 I N 0.157 120.751 120.570 0.041 0.000 2.113 155 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 155 I C 2.929 179.088 176.117 0.071 0.000 1.064 155 I CA 2.494 63.826 61.300 0.054 0.000 1.320 155 I CB -0.282 37.738 38.000 0.033 0.000 1.028 155 I HN 0.771 nan 8.210 nan 0.000 0.406 156 Q N 0.959 120.801 119.800 0.070 0.000 2.002 156 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 156 Q C 2.393 178.452 176.000 0.098 0.000 0.988 156 Q CA 2.557 58.414 55.803 0.090 0.000 0.843 156 Q CB -0.085 28.699 28.738 0.076 0.000 0.908 156 Q HN 0.399 nan 8.270 nan 0.000 0.420 157 V N 1.242 121.209 119.914 0.089 0.000 2.407 157 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 157 V C 2.339 178.467 176.094 0.056 0.000 1.055 157 V CA 2.200 64.553 62.300 0.088 0.000 1.049 157 V CB -0.771 31.127 31.823 0.125 0.000 0.662 157 V HN 0.499 nan 8.190 nan 0.000 0.455 158 E N 0.433 120.671 120.200 0.063 0.000 2.031 158 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 158 E C 2.477 179.091 176.600 0.023 0.000 0.994 158 E CA 1.461 57.888 56.400 0.044 0.000 0.800 158 E CB -0.119 29.644 29.700 0.105 0.000 0.752 158 E HN 0.495 nan 8.360 nan 0.000 0.447 159 R N 0.341 120.848 120.500 0.012 0.000 2.091 159 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 159 R C 2.045 178.228 176.300 -0.195 0.000 1.136 159 R CA 1.641 57.666 56.100 -0.125 0.000 0.959 159 R CB -0.248 30.009 30.300 -0.072 0.000 0.856 159 R HN 0.311 nan 8.270 nan 0.000 0.437 160 D N 0.326 120.744 120.400 0.030 0.000 2.144 160 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 160 D C 1.665 177.995 176.300 0.051 0.000 0.978 160 D CA 1.236 55.315 54.000 0.132 0.000 0.833 160 D CB 0.030 40.924 40.800 0.158 0.000 0.961 160 D HN 0.216 nan 8.370 nan 0.000 0.470 161 K N -0.030 120.372 120.400 0.003 0.000 2.167 161 K HA 0.080 4.400 4.320 -0.000 0.000 0.203 161 K C 2.060 178.650 176.600 -0.017 0.000 1.052 161 K CA 0.349 56.628 56.287 -0.013 0.000 0.956 161 K CB 0.175 32.639 32.500 -0.061 0.000 0.735 161 K HN 0.134 nan 8.250 nan 0.000 0.451 162 L N 0.429 121.627 121.223 -0.042 0.000 2.446 162 L HA 0.014 4.354 4.340 -0.000 0.000 0.219 162 L C 0.477 177.281 176.870 -0.111 0.000 1.116 162 L CA 0.069 54.877 54.840 -0.052 0.000 0.844 162 L CB -0.409 41.631 42.059 -0.031 0.000 0.970 162 L HN 0.384 nan 8.230 nan 0.000 0.457 163 N N 1.441 120.041 118.700 -0.165 0.000 2.756 163 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 163 N C -0.614 174.679 175.510 -0.362 0.000 1.062 163 N CA 0.382 53.328 53.050 -0.173 0.000 0.696 163 N CB -0.388 38.105 38.487 0.011 0.000 0.946 163 N HN 0.359 nan 8.380 nan 0.000 0.548 164 K N 1.604 121.549 120.400 -0.758 0.000 2.507 164 K HA 0.396 4.716 4.320 -0.000 0.000 0.252 164 K C -1.530 174.636 176.600 -0.723 0.000 0.943 164 K CA -0.378 55.597 56.287 -0.520 0.000 0.808 164 K CB 1.158 33.493 32.500 -0.275 0.000 1.142 164 K HN 0.125 nan 8.250 nan 0.000 0.426 165 Y N -0.631 119.678 120.300 0.014 0.000 2.562 165 Y HA 0.448 4.998 4.550 -0.000 0.000 0.345 165 Y C 0.990 176.899 175.900 0.014 0.000 1.045 165 Y CA -0.746 57.365 58.100 0.018 0.000 1.028 165 Y CB 2.560 41.030 38.460 0.017 0.000 1.297 165 Y HN 0.751 nan 8.280 nan 0.000 0.463 166 G N 1.432 110.338 108.800 0.177 0.000 2.157 166 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.239 166 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.239 166 G C -0.248 174.693 174.900 0.069 0.000 0.982 166 G CA 0.167 45.331 45.100 0.108 0.000 0.650 166 G HN 0.924 nan 8.290 nan 0.000 0.527 167 R N -1.336 119.200 120.500 0.060 0.000 2.712 167 R HA 0.618 4.957 4.340 -0.000 0.000 0.272 167 R C 0.343 176.666 176.300 0.038 0.000 1.032 167 R CA -0.486 55.641 56.100 0.044 0.000 0.874 167 R CB 0.162 30.481 30.300 0.031 0.000 1.256 167 R HN 0.996 nan 8.270 nan 0.000 0.468 168 G N 1.506 110.331 108.800 0.041 0.000 2.544 168 G HA2 0.344 4.304 3.960 -0.000 0.000 0.242 168 G HA3 0.344 4.304 3.960 -0.000 0.000 0.242 168 G C -0.114 174.800 174.900 0.024 0.000 1.247 168 G CA -0.837 44.283 45.100 0.032 0.000 0.840 168 G HN 0.387 nan 8.290 nan 0.000 0.578 169 L N 0.311 121.548 121.223 0.024 0.000 2.395 169 L HA 0.394 4.734 4.340 -0.000 0.000 0.269 169 L C 0.167 177.080 176.870 0.071 0.000 1.133 169 L CA -0.473 54.393 54.840 0.042 0.000 0.812 169 L CB 1.055 43.194 42.059 0.133 0.000 1.125 169 L HN 0.221 nan 8.230 nan 0.000 0.452 170 L N 1.791 123.050 121.223 0.059 0.000 2.313 170 L HA 0.674 5.014 4.340 -0.000 0.000 0.283 170 L C 0.367 177.312 176.870 0.125 0.000 1.013 170 L CA -0.243 54.662 54.840 0.109 0.000 0.816 170 L CB 1.715 43.820 42.059 0.076 0.000 1.236 170 L HN 0.715 nan 8.230 nan 0.000 0.419 171 G N 0.920 109.812 108.800 0.153 0.000 3.042 171 G HA2 0.648 4.608 3.960 -0.000 0.000 0.278 171 G HA3 0.648 4.608 3.960 -0.000 0.000 0.278 171 G C -1.789 173.150 174.900 0.065 0.000 1.371 171 G CA -0.515 44.643 45.100 0.097 0.000 1.009 171 G HN 0.689 nan 8.290 nan 0.000 0.523 172 C N -0.170 119.115 119.300 -0.025 0.000 3.178 172 C HA 0.627 5.087 4.460 -0.000 0.000 0.428 172 C C -0.406 174.555 174.990 -0.049 0.000 0.967 172 C CA -0.504 58.517 59.018 0.004 0.000 1.205 172 C CB 0.435 28.195 27.740 0.034 0.000 1.584 172 C HN 0.830 nan 8.230 nan 0.000 0.591 173 T N 7.157 121.707 114.554 -0.008 0.000 2.771 173 T HA 0.420 4.770 4.350 -0.000 0.000 0.291 173 T C 0.480 175.185 174.700 0.007 0.000 0.954 173 T CA -0.291 61.813 62.100 0.007 0.000 1.045 173 T CB 0.425 69.326 68.868 0.055 0.000 0.917 173 T HN 0.586 nan 8.240 nan 0.000 0.484 174 I N 4.105 124.665 120.570 -0.016 0.000 2.648 174 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 174 I C 0.682 176.778 176.117 -0.035 0.000 1.153 174 I CA 0.151 61.379 61.300 -0.119 0.000 1.426 174 I CB -0.105 37.594 38.000 -0.501 0.000 1.381 174 I HN 0.444 nan 8.210 nan 0.000 0.571 175 K N 6.639 127.020 120.400 -0.033 0.000 2.435 175 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 175 K C -2.412 174.191 176.600 0.006 0.000 0.954 175 K CA -1.656 54.641 56.287 0.017 0.000 0.820 175 K CB 1.490 34.013 32.500 0.039 0.000 1.292 175 K HN 0.280 nan 8.250 nan 0.000 0.436 176 P HA 0.114 nan 4.420 nan 0.000 0.270 176 P C 0.324 177.654 177.300 0.050 0.000 1.223 176 P CA -0.129 62.986 63.100 0.024 0.000 0.785 176 P CB 0.859 32.556 31.700 -0.006 0.000 0.923 177 K N 0.231 120.660 120.400 0.049 0.000 2.015 177 K HA -0.111 4.209 4.320 -0.000 0.000 0.216 177 K C 0.822 177.487 176.600 0.109 0.000 1.052 177 K CA 1.345 57.681 56.287 0.082 0.000 0.937 177 K CB -0.383 32.149 32.500 0.053 0.000 0.719 177 K HN 0.389 nan 8.250 nan 0.000 0.446 178 L N -2.133 119.091 121.223 0.000 0.000 2.301 178 L HA 0.440 4.780 4.340 -0.000 0.000 0.264 178 L C 0.871 177.456 176.870 -0.475 0.000 1.016 178 L CA -0.279 54.462 54.840 -0.165 0.000 0.821 178 L CB 2.117 44.103 42.059 -0.121 0.000 1.346 178 L HN 0.516 nan 8.230 nan 0.000 0.429 179 G N 0.743 108.813 108.800 -1.217 0.000 2.253 179 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.209 179 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.209 179 G C -0.147 174.551 174.900 -0.336 0.000 0.997 179 G CA -0.599 43.978 45.100 -0.871 0.000 0.640 179 G HN 0.306 nan 8.290 nan 0.000 0.496 180 L N 2.540 123.728 121.223 -0.059 0.000 2.371 180 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 180 L C 1.534 178.602 176.870 0.330 0.000 1.124 180 L CA -0.009 54.937 54.840 0.175 0.000 0.816 180 L CB 1.411 43.638 42.059 0.280 0.000 1.129 180 L HN 0.474 nan 8.230 nan 0.000 0.448 181 S N 1.790 117.627 115.700 0.229 0.000 2.608 181 S HA 0.276 4.746 4.470 -0.000 0.000 0.261 181 S C 1.070 175.786 174.600 0.194 0.000 1.314 181 S CA -0.118 58.203 58.200 0.201 0.000 0.992 181 S CB 1.489 64.749 63.200 0.101 0.000 0.935 181 S HN 0.700 nan 8.310 nan 0.000 0.564 182 A N 1.393 124.301 122.820 0.148 0.000 1.877 182 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 182 A C 2.134 179.734 177.584 0.028 0.000 1.186 182 A CA 2.036 54.185 52.037 0.187 0.000 0.620 182 A CB -1.128 18.061 19.000 0.316 0.000 0.822 182 A HN 0.962 nan 8.150 nan 0.000 0.443 183 K N 0.211 120.402 120.400 -0.348 0.000 2.009 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 183 K C 1.697 178.134 176.600 -0.270 0.000 1.049 183 K CA 1.985 57.813 56.287 -0.764 0.000 0.929 183 K CB -0.286 31.783 32.500 -0.717 0.000 0.714 183 K HN 0.427 nan 8.250 nan 0.000 0.440 184 N N -0.468 118.177 118.700 -0.093 0.000 2.223 184 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 184 N C 1.580 177.114 175.510 0.040 0.000 1.016 184 N CA 1.046 54.088 53.050 -0.013 0.000 0.863 184 N CB -0.368 38.131 38.487 0.019 0.000 0.983 184 N HN 0.264 nan 8.380 nan 0.000 0.429 185 Y N 1.336 121.636 120.300 -0.000 0.000 2.128 185 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 185 Y C 2.464 178.370 175.900 0.011 0.000 1.154 185 Y CA 1.923 60.046 58.100 0.039 0.000 1.149 185 Y CB -0.623 37.888 38.460 0.086 0.000 0.976 185 Y HN 0.075 nan 8.280 nan 0.000 0.505 186 G N -0.768 108.123 108.800 0.152 0.000 2.408 186 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 186 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 186 G C 1.719 176.661 174.900 0.069 0.000 1.150 186 G CA 0.755 45.914 45.100 0.099 0.000 0.776 186 G HN 0.342 nan 8.290 nan 0.000 0.542 187 R N 0.613 121.130 120.500 0.028 0.000 2.094 187 R HA -0.065 4.275 4.340 -0.000 0.000 0.239 187 R C 2.789 179.129 176.300 0.066 0.000 1.137 187 R CA 1.831 57.968 56.100 0.061 0.000 0.943 187 R CB -0.476 29.831 30.300 0.011 0.000 0.850 187 R HN 0.260 nan 8.270 nan 0.000 0.433 188 A N 0.134 122.949 122.820 -0.009 0.000 1.933 188 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 188 A C 2.284 179.842 177.584 -0.044 0.000 1.175 188 A CA 1.536 53.543 52.037 -0.050 0.000 0.628 188 A CB -0.427 18.497 19.000 -0.126 0.000 0.814 188 A HN 0.255 nan 8.150 nan 0.000 0.444 189 V N -1.175 118.722 119.914 -0.030 0.000 2.261 189 V HA -0.278 3.841 4.120 -0.000 0.000 0.246 189 V C 2.351 178.477 176.094 0.054 0.000 1.047 189 V CA 2.119 64.426 62.300 0.013 0.000 1.015 189 V CB -1.105 30.709 31.823 -0.015 0.000 0.642 189 V HN 0.730 nan 8.190 nan 0.000 0.446 190 Y N 1.641 121.931 120.300 -0.016 0.000 2.081 190 Y HA -0.258 4.291 4.550 -0.000 0.000 0.280 190 Y C 2.584 178.480 175.900 -0.006 0.000 1.163 190 Y CA 2.117 60.214 58.100 -0.004 0.000 1.135 190 Y CB -0.416 38.046 38.460 0.004 0.000 0.970 190 Y HN 0.277 nan 8.280 nan 0.000 0.498 191 E N -0.163 119.850 120.200 -0.311 0.000 2.153 191 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 191 E C 2.364 178.813 176.600 -0.252 0.000 0.988 191 E CA 1.297 57.461 56.400 -0.392 0.000 0.811 191 E CB -0.322 29.281 29.700 -0.162 0.000 0.746 191 E HN 0.509 nan 8.360 nan 0.000 0.466 192 S N 1.052 116.665 115.700 -0.144 0.000 2.357 192 S HA -0.021 4.449 4.470 -0.000 0.000 0.221 192 S C 2.174 176.713 174.600 -0.101 0.000 1.031 192 S CA 0.556 58.700 58.200 -0.093 0.000 0.982 192 S CB -0.169 63.006 63.200 -0.042 0.000 0.853 192 S HN 0.172 nan 8.310 nan 0.000 0.458 193 L N 1.734 122.902 121.223 -0.093 0.000 2.083 193 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 193 L C 2.676 179.486 176.870 -0.100 0.000 1.083 193 L CA 1.332 56.130 54.840 -0.070 0.000 0.752 193 L CB -0.500 41.551 42.059 -0.014 0.000 0.899 193 L HN 0.394 nan 8.230 nan 0.000 0.433 194 R N 0.122 120.512 120.500 -0.182 0.000 2.235 194 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 194 R C 1.900 178.120 176.300 -0.133 0.000 1.059 194 R CA 1.136 57.132 56.100 -0.173 0.000 0.997 194 R CB -0.602 29.490 30.300 -0.347 0.000 0.884 194 R HN 0.217 nan 8.270 nan 0.000 0.462 195 G N -0.355 108.362 108.800 -0.139 0.000 2.712 195 G HA2 0.222 4.182 3.960 -0.000 0.000 0.212 195 G HA3 0.222 4.182 3.960 -0.000 0.000 0.212 195 G C 0.925 175.776 174.900 -0.082 0.000 1.142 195 G CA 0.337 45.371 45.100 -0.110 0.000 0.789 195 G HN 0.575 nan 8.290 nan 0.000 0.535 196 G N -0.832 107.923 108.800 -0.076 0.000 2.273 196 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.162 196 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.162 196 G C 0.273 175.132 174.900 -0.068 0.000 1.006 196 G CA -0.353 44.709 45.100 -0.062 0.000 0.704 196 G HN 0.315 nan 8.290 nan 0.000 0.487 197 L N 1.337 122.518 121.223 -0.069 0.000 2.439 197 L HA 0.310 4.650 4.340 -0.000 0.000 0.269 197 L C 1.140 177.937 176.870 -0.122 0.000 1.179 197 L CA -0.388 54.413 54.840 -0.064 0.000 0.828 197 L CB 0.520 42.560 42.059 -0.032 0.000 1.106 197 L HN 0.038 nan 8.230 nan 0.000 0.467 198 D N 1.341 121.623 120.400 -0.197 0.000 2.183 198 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 198 D C -0.105 175.841 176.300 -0.590 0.000 0.962 198 D CA 1.454 55.183 54.000 -0.451 0.000 0.849 198 D CB 0.345 40.757 40.800 -0.645 0.000 0.978 198 D HN 0.141 nan 8.370 nan 0.000 0.488 199 F N 0.029 119.944 119.950 -0.059 0.000 2.588 199 F HA 0.310 4.837 4.527 -0.000 0.000 0.314 199 F C 0.670 176.317 175.800 -0.255 0.000 1.069 199 F CA -1.010 56.884 58.000 -0.176 0.000 0.931 199 F CB 1.817 40.658 39.000 -0.265 0.000 1.260 199 F HN -0.327 nan 8.300 nan 0.000 0.465 203 D N 1.259 121.796 120.400 0.229 0.000 2.423 203 D HA -0.028 4.612 4.640 -0.000 0.000 0.238 203 D C 1.562 177.864 176.300 0.004 0.000 1.142 203 D CA 0.076 54.141 54.000 0.109 0.000 0.884 203 D CB 1.075 41.952 40.800 0.128 0.000 1.199 203 D HN 0.413 nan 8.370 nan 0.000 0.438 204 E N 2.861 122.950 120.200 -0.185 0.000 2.187 204 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 204 E C 0.713 177.207 176.600 -0.178 0.000 1.004 204 E CA 1.420 57.588 56.400 -0.386 0.000 0.813 204 E CB -0.398 28.679 29.700 -1.037 0.000 0.736 204 E HN 0.532 nan 8.360 nan 0.000 0.468 205 N N 0.889 119.539 118.700 -0.083 0.000 2.336 205 N HA 0.002 4.742 4.740 -0.000 0.000 0.189 205 N C 0.123 175.667 175.510 0.056 0.000 1.113 205 N CA -0.020 53.021 53.050 -0.015 0.000 0.858 205 N CB 0.026 38.515 38.487 0.003 0.000 0.970 205 N HN -0.037 nan 8.380 nan 0.000 0.471 206 V N 1.984 121.948 119.914 0.084 0.000 2.397 206 V HA 0.126 4.246 4.120 -0.000 0.000 0.262 206 V C 0.347 176.483 176.094 0.071 0.000 1.047 206 V CA 0.005 62.374 62.300 0.115 0.000 1.003 206 V CB -0.638 31.270 31.823 0.142 0.000 1.037 206 V HN 0.327 nan 8.190 nan 0.000 0.480 207 N N 2.627 121.352 118.700 0.042 0.000 3.039 207 N HA 0.246 4.986 4.740 -0.000 0.000 0.188 207 N C -0.164 175.368 175.510 0.038 0.000 1.310 207 N CA -0.287 52.781 53.050 0.031 0.000 1.111 207 N CB 0.592 39.072 38.487 -0.011 0.000 1.311 207 N HN 0.509 nan 8.380 nan 0.000 0.490 208 S N 0.211 115.906 115.700 -0.008 0.000 2.668 208 S HA 0.452 4.921 4.470 -0.000 0.000 0.277 208 S C -1.855 172.666 174.600 -0.131 0.000 1.170 208 S CA -0.413 57.784 58.200 -0.005 0.000 0.994 208 S CB 1.152 64.465 63.200 0.188 0.000 1.051 208 S HN 0.262 nan 8.310 nan 0.000 0.484 209 Q N 3.365 122.973 119.800 -0.320 0.000 2.501 209 Q HA 0.474 4.814 4.340 -0.000 0.000 0.288 209 Q C -2.120 173.609 176.000 -0.452 0.000 1.051 209 Q CA -1.780 53.760 55.803 -0.438 0.000 0.788 209 Q CB 1.703 30.009 28.738 -0.719 0.000 1.469 209 Q HN 0.269 nan 8.270 nan 0.000 0.416 210 P HA -0.207 nan 4.420 nan 0.000 0.216 210 P C 0.617 177.864 177.300 -0.089 0.000 1.154 210 P CA 1.517 64.550 63.100 -0.112 0.000 0.865 210 P CB 0.031 31.739 31.700 0.015 0.000 0.789 211 F N -2.669 117.293 119.950 0.019 0.000 2.558 211 F HA 0.281 4.808 4.527 -0.000 0.000 0.298 211 F C 0.982 176.797 175.800 0.025 0.000 1.119 211 F CA 0.114 58.128 58.000 0.025 0.000 1.451 211 F CB -0.546 38.474 39.000 0.033 0.000 1.091 211 F HN -0.183 nan 8.300 nan 0.000 0.563 212 M N 1.409 120.745 119.600 -0.440 0.000 2.265 212 M HA 0.349 4.829 4.480 -0.000 0.000 0.251 212 M C -1.437 174.698 176.300 -0.276 0.000 1.005 212 M CA -0.537 54.637 55.300 -0.210 0.000 0.998 212 M CB 1.109 33.688 32.600 -0.035 0.000 2.070 212 M HN -0.194 nan 8.290 nan 0.000 0.476 213 R N 3.966 124.360 120.500 -0.177 0.000 2.441 213 R HA 0.221 4.560 4.340 -0.000 0.000 0.284 213 R C 1.104 177.286 176.300 -0.196 0.000 1.070 213 R CA -0.166 55.820 56.100 -0.191 0.000 1.047 213 R CB 0.620 30.782 30.300 -0.229 0.000 1.016 213 R HN 0.957 nan 8.270 nan 0.000 0.477 214 W N 4.495 125.670 121.300 -0.207 0.000 2.338 214 W HA -0.205 4.455 4.660 -0.000 0.000 0.304 214 W C 1.121 177.419 176.519 -0.369 0.000 1.212 214 W CA 0.842 58.020 57.345 -0.278 0.000 1.264 214 W CB -0.483 28.734 29.460 -0.406 0.000 1.142 214 W HN 0.565 nan 8.180 nan 0.000 0.512 215 R N 0.973 120.599 120.500 -1.456 0.000 2.092 215 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 215 R C 1.910 177.921 176.300 -0.480 0.000 1.119 215 R CA 1.941 57.278 56.100 -1.271 0.000 0.970 215 R CB -0.365 29.011 30.300 -1.540 0.000 0.864 215 R HN 0.000 nan 8.270 nan 0.000 0.440 216 D N 0.021 120.205 120.400 -0.360 0.000 2.104 216 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 216 D C 1.853 178.185 176.300 0.054 0.000 0.994 216 D CA 1.138 55.051 54.000 -0.144 0.000 0.830 216 D CB -0.233 40.553 40.800 -0.023 0.000 0.959 216 D HN 0.244 nan 8.370 nan 0.000 0.452 217 R N -0.208 120.362 120.500 0.117 0.000 2.080 217 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 217 R C 2.339 178.833 176.300 0.323 0.000 1.137 217 R CA 1.147 57.389 56.100 0.237 0.000 0.943 217 R CB -0.390 30.006 30.300 0.159 0.000 0.846 217 R HN 0.023 nan 8.270 nan 0.000 0.431 218 F N 0.884 120.865 119.950 0.052 0.000 2.087 218 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 218 F C 2.203 178.011 175.800 0.014 0.000 1.100 218 F CA 1.168 59.215 58.000 0.078 0.000 1.226 218 F CB -0.922 38.176 39.000 0.164 0.000 0.983 218 F HN 0.067 nan 8.300 nan 0.000 0.479 219 L N -1.496 119.795 121.223 0.114 0.000 2.017 219 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 219 L C 2.324 179.158 176.870 -0.060 0.000 1.073 219 L CA 1.561 56.368 54.840 -0.055 0.000 0.745 219 L CB -0.954 40.952 42.059 -0.256 0.000 0.894 219 L HN -0.043 nan 8.230 nan 0.000 0.432 220 F N -1.576 118.404 119.950 0.050 0.000 2.234 220 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 220 F C 2.367 178.175 175.800 0.015 0.000 1.087 220 F CA 0.905 58.926 58.000 0.035 0.000 1.340 220 F CB -0.959 38.069 39.000 0.046 0.000 1.031 220 F HN -0.177 nan 8.300 nan 0.000 0.500 221 V N -0.282 119.732 119.914 0.166 0.000 2.358 221 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 221 V C 2.582 178.649 176.094 -0.045 0.000 1.047 221 V CA 1.616 63.912 62.300 -0.007 0.000 1.035 221 V CB -1.255 30.460 31.823 -0.180 0.000 0.658 221 V HN 0.332 nan 8.190 nan 0.000 0.452 222 A N -0.531 122.271 122.820 -0.030 0.000 1.883 222 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 222 A C 2.270 179.826 177.584 -0.047 0.000 1.186 222 A CA 2.178 54.149 52.037 -0.109 0.000 0.624 222 A CB -0.623 18.396 19.000 0.032 0.000 0.822 222 A HN 0.599 nan 8.150 nan 0.000 0.444 223 E N -0.373 119.880 120.200 0.089 0.000 2.097 223 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 223 E C 2.193 178.844 176.600 0.084 0.000 1.000 223 E CA 1.230 57.708 56.400 0.131 0.000 0.804 223 E CB -0.242 29.542 29.700 0.140 0.000 0.740 223 E HN 0.577 nan 8.360 nan 0.000 0.454 224 A N 0.847 123.705 122.820 0.064 0.000 1.898 224 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 224 A C 2.145 179.780 177.584 0.085 0.000 1.181 224 A CA 1.153 53.245 52.037 0.092 0.000 0.620 224 A CB -0.561 18.509 19.000 0.115 0.000 0.819 224 A HN 0.280 nan 8.150 nan 0.000 0.442 225 I N -1.628 118.917 120.570 -0.042 0.000 2.127 225 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 225 I C 2.352 178.433 176.117 -0.060 0.000 1.075 225 I CA 1.610 62.840 61.300 -0.116 0.000 1.334 225 I CB -0.470 37.339 38.000 -0.319 0.000 1.040 225 I HN 0.393 nan 8.210 nan 0.000 0.405 226 Y N 0.644 120.986 120.300 0.070 0.000 2.314 226 Y HA -0.164 4.386 4.550 -0.000 0.000 0.293 226 Y C 2.502 178.433 175.900 0.051 0.000 1.129 226 Y CA 0.924 59.056 58.100 0.053 0.000 1.201 226 Y CB -0.672 37.810 38.460 0.037 0.000 0.999 226 Y HN 0.108 nan 8.280 nan 0.000 0.541 227 K N 0.305 120.812 120.400 0.179 0.000 2.025 227 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 227 K C 2.340 179.064 176.600 0.207 0.000 1.049 227 K CA 1.148 57.501 56.287 0.109 0.000 0.933 227 K CB -0.265 32.178 32.500 -0.094 0.000 0.714 227 K HN 0.207 nan 8.250 nan 0.000 0.438 228 A N 1.145 124.132 122.820 0.279 0.000 1.908 228 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 228 A C 2.092 179.754 177.584 0.130 0.000 1.181 228 A CA 1.799 53.975 52.037 0.232 0.000 0.627 228 A CB -0.652 18.444 19.000 0.160 0.000 0.818 228 A HN 0.573 nan 8.150 nan 0.000 0.445 229 Q N -0.722 119.151 119.800 0.123 0.000 2.079 229 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 229 Q C 2.167 178.224 176.000 0.095 0.000 0.974 229 Q CA 1.520 57.383 55.803 0.101 0.000 0.840 229 Q CB -0.328 28.492 28.738 0.138 0.000 0.898 229 Q HN 0.609 nan 8.270 nan 0.000 0.430 230 A N 0.491 123.378 122.820 0.111 0.000 1.969 230 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 230 A C 1.840 179.468 177.584 0.074 0.000 1.169 230 A CA 1.517 53.604 52.037 0.083 0.000 0.635 230 A CB -0.521 18.524 19.000 0.076 0.000 0.810 230 A HN 0.587 nan 8.150 nan 0.000 0.445 231 E N -0.429 119.829 120.200 0.095 0.000 2.107 231 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 231 E C 1.982 178.617 176.600 0.058 0.000 0.982 231 E CA 1.688 58.142 56.400 0.089 0.000 0.809 231 E CB -0.002 29.784 29.700 0.143 0.000 0.756 231 E HN 0.737 nan 8.360 nan 0.000 0.459 232 T N -4.158 110.426 114.554 0.050 0.000 3.040 232 T HA 0.249 4.599 4.350 -0.000 0.000 0.252 232 T C 1.547 176.262 174.700 0.024 0.000 1.064 232 T CA 0.568 62.684 62.100 0.026 0.000 1.110 232 T CB 0.577 69.450 68.868 0.010 0.000 0.921 232 T HN 0.291 nan 8.240 nan 0.000 0.480 233 G N 1.251 110.070 108.800 0.031 0.000 2.162 233 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 233 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 233 G C -0.262 174.649 174.900 0.019 0.000 0.976 233 G CA 0.233 45.350 45.100 0.028 0.000 0.655 233 G HN 0.672 nan 8.290 nan 0.000 0.533 234 E N -0.488 119.718 120.200 0.010 0.000 2.195 234 E HA 0.523 4.873 4.350 -0.000 0.000 0.271 234 E C 0.272 176.864 176.600 -0.013 0.000 0.923 234 E CA -1.061 55.332 56.400 -0.011 0.000 0.790 234 E CB 2.490 32.169 29.700 -0.035 0.000 1.155 234 E HN 0.070 nan 8.360 nan 0.000 0.402 235 V N 3.813 123.712 119.914 -0.025 0.000 2.599 235 V HA -0.014 4.106 4.120 -0.000 0.000 0.300 235 V C 0.271 176.322 176.094 -0.072 0.000 1.034 235 V CA 0.505 62.793 62.300 -0.020 0.000 1.115 235 V CB -0.028 31.783 31.823 -0.020 0.000 0.934 235 V HN 0.511 nan 8.190 nan 0.000 0.485 236 K N 3.074 123.455 120.400 -0.031 0.000 2.340 236 K HA 0.840 5.159 4.320 -0.000 0.000 0.244 236 K C -0.003 176.615 176.600 0.030 0.000 0.973 236 K CA -0.425 55.829 56.287 -0.055 0.000 0.828 236 K CB 2.487 34.976 32.500 -0.018 0.000 1.226 236 K HN 0.857 nan 8.250 nan 0.000 0.437 237 G N 0.279 109.152 108.800 0.120 0.000 2.677 237 G HA2 0.364 4.324 3.960 -0.000 0.000 0.291 237 G HA3 0.364 4.324 3.960 -0.000 0.000 0.291 237 G C -1.987 173.116 174.900 0.339 0.000 1.435 237 G CA -0.309 44.970 45.100 0.299 0.000 0.826 237 G HN 0.553 nan 8.290 nan 0.000 0.491 238 H N 0.520 119.652 119.070 0.104 0.000 2.934 238 H HA 0.321 4.877 4.556 -0.000 0.000 0.340 238 H C -1.088 174.242 175.328 0.003 0.000 1.008 238 H CA -0.601 55.436 56.048 -0.020 0.000 1.317 238 H CB 1.216 30.965 29.762 -0.021 0.000 1.670 238 H HN 0.371 nan 8.280 nan 0.000 0.516 239 Y N 5.642 125.683 120.300 -0.431 0.000 2.730 239 Y HA 0.074 4.624 4.550 -0.000 0.000 0.357 239 Y C 0.695 176.475 175.900 -0.200 0.000 1.167 239 Y CA -0.417 57.493 58.100 -0.317 0.000 1.579 239 Y CB -0.677 37.552 38.460 -0.384 0.000 1.262 239 Y HN 0.345 nan 8.280 nan 0.000 0.510 240 L N 3.779 125.017 121.223 0.026 0.000 2.319 240 L HA 0.173 4.513 4.340 -0.000 0.000 0.280 240 L C 0.689 177.570 176.870 0.019 0.000 1.099 240 L CA -0.003 54.765 54.840 -0.119 0.000 0.828 240 L CB 0.414 42.008 42.059 -0.774 0.000 1.150 240 L HN 0.605 nan 8.230 nan 0.000 0.442 241 N N 1.956 120.758 118.700 0.170 0.000 2.420 241 N HA 0.187 4.927 4.740 -0.000 0.000 0.262 241 N C 0.589 176.243 175.510 0.240 0.000 1.144 241 N CA -0.121 53.044 53.050 0.191 0.000 0.952 241 N CB 1.055 39.637 38.487 0.158 0.000 1.081 241 N HN 0.779 nan 8.380 nan 0.000 0.480 242 A N 2.718 125.636 122.820 0.162 0.000 2.275 242 A HA 0.066 4.386 4.320 -0.000 0.000 0.212 242 A C 0.679 178.285 177.584 0.036 0.000 1.201 242 A CA -0.004 52.075 52.037 0.069 0.000 0.843 242 A CB 0.028 19.041 19.000 0.021 0.000 0.873 242 A HN 0.590 nan 8.150 nan 0.000 0.492 243 T N 1.840 116.463 114.554 0.115 0.000 2.866 243 T HA 0.426 4.776 4.350 -0.000 0.000 0.293 243 T C 0.225 174.914 174.700 -0.017 0.000 1.005 243 T CA 0.941 63.094 62.100 0.088 0.000 1.162 243 T CB 0.512 69.368 68.868 -0.021 0.000 0.968 243 T HN 0.740 nan 8.240 nan 0.000 0.530 244 A N 2.575 125.380 122.820 -0.025 0.000 2.568 244 A HA 0.815 5.135 4.320 -0.000 0.000 0.291 244 A C 1.324 178.874 177.584 -0.056 0.000 1.159 244 A CA -0.296 51.692 52.037 -0.081 0.000 0.679 244 A CB 0.545 19.450 19.000 -0.159 0.000 1.285 244 A HN 0.740 nan 8.150 nan 0.000 0.428 245 G N -0.659 108.103 108.800 -0.063 0.000 2.408 245 G HA2 0.310 4.270 3.960 -0.000 0.000 0.217 245 G HA3 0.310 4.270 3.960 -0.000 0.000 0.217 245 G C 0.726 175.601 174.900 -0.042 0.000 1.150 245 G CA 1.919 46.992 45.100 -0.046 0.000 0.776 245 G HN 1.674 nan 8.290 nan 0.000 0.542 246 T N -4.115 110.406 114.554 -0.055 0.000 2.906 246 T HA 0.322 4.672 4.350 -0.000 0.000 0.295 246 T C 0.955 175.615 174.700 -0.067 0.000 1.075 246 T CA -0.219 61.851 62.100 -0.051 0.000 1.005 246 T CB 1.416 70.255 68.868 -0.048 0.000 1.136 246 T HN -0.036 nan 8.240 nan 0.000 0.498 247 C N 0.888 120.153 119.300 -0.060 0.000 2.413 247 C HA -0.043 4.417 4.460 -0.000 0.000 0.276 247 C C 2.619 177.544 174.990 -0.108 0.000 1.248 247 C CA 0.955 59.926 59.018 -0.080 0.000 1.742 247 C CB -1.365 26.338 27.740 -0.061 0.000 2.017 247 C HN 1.014 nan 8.230 nan 0.000 0.481 248 E N 0.951 121.097 120.200 -0.090 0.000 2.077 248 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 248 E C 2.224 178.744 176.600 -0.134 0.000 0.989 248 E CA 1.038 57.380 56.400 -0.096 0.000 0.800 248 E CB -0.322 29.340 29.700 -0.064 0.000 0.746 248 E HN 0.536 nan 8.360 nan 0.000 0.452 249 E N 0.180 120.295 120.200 -0.142 0.000 2.051 249 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 249 E C 2.049 178.461 176.600 -0.314 0.000 0.991 249 E CA 0.878 57.149 56.400 -0.214 0.000 0.799 249 E CB -0.337 29.252 29.700 -0.184 0.000 0.748 249 E HN 0.320 nan 8.360 nan 0.000 0.449 250 M N -0.137 119.318 119.600 -0.241 0.000 2.073 250 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 250 M C 2.011 178.132 176.300 -0.298 0.000 1.070 250 M CA 1.577 56.730 55.300 -0.245 0.000 1.103 250 M CB -0.044 32.450 32.600 -0.177 0.000 1.321 250 M HN 0.044 nan 8.290 nan 0.000 0.405 251 M N 0.038 119.467 119.600 -0.286 0.000 2.159 251 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 251 M C 1.958 178.062 176.300 -0.327 0.000 1.063 251 M CA 1.748 56.834 55.300 -0.356 0.000 1.110 251 M CB -1.228 31.199 32.600 -0.287 0.000 1.374 251 M HN 0.283 nan 8.290 nan 0.000 0.411 252 K N -0.211 120.026 120.400 -0.271 0.000 2.057 252 K HA -0.129 4.190 4.320 -0.000 0.000 0.207 252 K C 2.144 178.569 176.600 -0.292 0.000 1.049 252 K CA 1.301 57.464 56.287 -0.208 0.000 0.931 252 K CB -0.035 32.375 32.500 -0.150 0.000 0.714 252 K HN 0.281 nan 8.250 nan 0.000 0.440 253 R N 0.049 120.184 120.500 -0.608 0.000 2.081 253 R HA -0.109 4.230 4.340 -0.000 0.000 0.235 253 R C 2.364 178.651 176.300 -0.021 0.000 1.131 253 R CA 1.346 57.060 56.100 -0.643 0.000 0.960 253 R CB -0.373 29.444 30.300 -0.805 0.000 0.856 253 R HN 0.184 nan 8.270 nan 0.000 0.436 254 A N 1.140 123.884 122.820 -0.127 0.000 1.902 254 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 254 A C 1.428 179.033 177.584 0.034 0.000 1.181 254 A CA 0.873 52.868 52.037 -0.070 0.000 0.623 254 A CB -0.495 18.287 19.000 -0.363 0.000 0.818 254 A HN 0.065 nan 8.150 nan 0.000 0.443 258 K N 0.739 121.270 120.400 0.219 0.000 2.020 258 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 258 K C 1.490 178.186 176.600 0.160 0.000 1.050 258 K CA 2.137 58.539 56.287 0.191 0.000 0.929 258 K CB -0.211 32.432 32.500 0.239 0.000 0.714 258 K HN 0.609 nan 8.250 nan 0.000 0.443 259 E N 0.259 120.560 120.200 0.168 0.000 2.268 259 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 259 E C 1.828 178.511 176.600 0.139 0.000 0.995 259 E CA 0.613 57.095 56.400 0.137 0.000 0.836 259 E CB 0.058 29.834 29.700 0.127 0.000 0.763 259 E HN 0.349 nan 8.360 nan 0.000 0.491 260 L N -0.722 120.603 121.223 0.170 0.000 2.492 260 L HA 0.117 4.457 4.340 -0.000 0.000 0.223 260 L C 1.486 178.498 176.870 0.237 0.000 1.132 260 L CA 0.375 55.331 54.840 0.193 0.000 0.850 260 L CB 0.057 42.233 42.059 0.196 0.000 0.966 260 L HN 0.262 nan 8.230 nan 0.000 0.454 261 G N 0.656 109.570 108.800 0.191 0.000 2.155 261 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 261 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 261 G C 0.449 175.482 174.900 0.222 0.000 0.983 261 G CA 0.321 45.539 45.100 0.196 0.000 0.676 261 G HN 0.270 nan 8.290 nan 0.000 0.528 262 V N -1.962 118.050 119.914 0.163 0.000 2.924 262 V HA 0.590 4.709 4.120 -0.000 0.000 0.305 262 V C 0.168 176.310 176.094 0.080 0.000 1.073 262 V CA -0.695 61.651 62.300 0.076 0.000 1.098 262 V CB 0.998 32.816 31.823 -0.007 0.000 1.000 262 V HN 0.083 nan 8.190 nan 0.000 0.484 263 P HA 0.193 nan 4.420 nan 0.000 0.222 263 P C 0.185 177.513 177.300 0.048 0.000 1.153 263 P CA 0.918 64.064 63.100 0.076 0.000 0.798 263 P CB 0.495 32.271 31.700 0.126 0.000 0.796 264 I N -0.488 120.111 120.570 0.049 0.000 2.752 264 I HA 0.381 4.551 4.170 -0.000 0.000 0.295 264 I C -1.069 175.048 176.117 0.000 0.000 1.219 264 I CA -1.586 59.711 61.300 -0.005 0.000 1.030 264 I CB 2.372 40.336 38.000 -0.061 0.000 1.259 264 I HN -0.236 nan 8.210 nan 0.000 0.423 265 I N 4.346 124.900 120.570 -0.027 0.000 3.206 265 I HA 0.706 4.876 4.170 -0.000 0.000 0.313 265 I C -0.996 175.115 176.117 -0.011 0.000 1.103 265 I CA -0.969 60.329 61.300 -0.004 0.000 0.985 265 I CB 2.190 40.207 38.000 0.029 0.000 1.240 265 I HN 0.727 nan 8.210 nan 0.000 0.464 266 M N 1.538 121.175 119.600 0.061 0.000 2.658 266 M HA 0.646 5.126 4.480 -0.000 0.000 0.295 266 M C -1.666 174.742 176.300 0.180 0.000 1.248 266 M CA -0.522 54.848 55.300 0.116 0.000 0.843 266 M CB 2.320 35.039 32.600 0.199 0.000 1.749 266 M HN 0.810 nan 8.290 nan 0.000 0.464 267 H N -0.135 118.966 119.070 0.051 0.000 2.954 267 H HA 0.441 4.996 4.556 -0.000 0.000 0.361 267 H C -2.021 173.351 175.328 0.073 0.000 1.122 267 H CA -0.516 55.553 56.048 0.034 0.000 1.217 267 H CB 1.709 31.474 29.762 0.005 0.000 1.776 267 H HN 0.776 nan 8.280 nan 0.000 0.533 268 D N 5.067 125.220 120.400 -0.412 0.000 2.422 268 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 268 D C 0.780 176.768 176.300 -0.521 0.000 1.190 268 D CA -0.187 53.635 54.000 -0.296 0.000 0.905 268 D CB -0.047 40.612 40.800 -0.235 0.000 1.034 268 D HN 0.631 nan 8.370 nan 0.000 0.507 269 Y N 1.039 121.084 120.300 -0.423 0.000 2.439 269 Y HA 0.006 4.556 4.550 -0.000 0.000 0.292 269 Y C 1.275 176.888 175.900 -0.478 0.000 1.130 269 Y CA 0.731 58.602 58.100 -0.382 0.000 1.254 269 Y CB -0.398 37.924 38.460 -0.230 0.000 1.000 269 Y HN 0.231 nan 8.280 nan 0.000 0.554 270 L N 0.341 121.033 121.223 -0.885 0.000 2.202 270 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 270 L C 2.574 179.188 176.870 -0.428 0.000 1.083 270 L CA 1.380 55.741 54.840 -0.798 0.000 0.790 270 L CB -0.613 41.005 42.059 -0.735 0.000 0.942 270 L HN 0.401 nan 8.230 nan 0.000 0.452 271 T N -3.732 110.625 114.554 -0.329 0.000 3.014 271 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 271 T C 1.863 176.448 174.700 -0.192 0.000 1.078 271 T CA 0.756 62.726 62.100 -0.218 0.000 1.135 271 T CB -0.359 68.408 68.868 -0.169 0.000 0.895 271 T HN 0.295 nan 8.240 nan 0.000 0.480 272 G N 1.360 110.010 108.800 -0.251 0.000 2.395 272 G HA2 0.441 4.401 3.960 -0.000 0.000 0.214 272 G HA3 0.441 4.401 3.960 -0.000 0.000 0.214 272 G C 0.862 175.728 174.900 -0.055 0.000 1.177 272 G CA 0.218 45.244 45.100 -0.123 0.000 0.794 272 G HN 1.231 nan 8.290 nan 0.000 0.532 273 G N -1.954 106.760 108.800 -0.143 0.000 2.539 273 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.686 273 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.686 273 G C 0.098 174.956 174.900 -0.070 0.000 1.258 273 G CA -0.191 44.819 45.100 -0.150 0.000 0.846 273 G HN 0.075 nan 8.290 nan 0.000 0.647 274 F N 0.607 120.559 119.950 0.004 0.000 2.186 274 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 274 F C 3.093 178.913 175.800 0.034 0.000 1.090 274 F CA 2.293 60.305 58.000 0.021 0.000 1.307 274 F CB -0.495 38.461 39.000 -0.073 0.000 1.019 274 F HN 0.557 nan 8.300 nan 0.000 0.489 275 T N -0.192 114.481 114.554 0.199 0.000 2.674 275 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 275 T C 2.335 177.078 174.700 0.071 0.000 1.039 275 T CA 1.440 63.609 62.100 0.116 0.000 1.150 275 T CB -0.724 68.193 68.868 0.081 0.000 0.864 275 T HN 0.271 nan 8.240 nan 0.000 0.427 276 A N 2.080 124.935 122.820 0.058 0.000 1.908 276 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 276 A C 2.264 179.805 177.584 -0.071 0.000 1.181 276 A CA 1.765 53.802 52.037 -0.001 0.000 0.627 276 A CB -0.851 18.171 19.000 0.037 0.000 0.818 276 A HN 0.545 nan 8.150 nan 0.000 0.445 277 N N -0.640 118.087 118.700 0.045 0.000 2.120 277 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 277 N C 1.639 177.151 175.510 0.004 0.000 1.024 277 N CA 2.034 55.092 53.050 0.013 0.000 0.852 277 N CB -0.163 38.472 38.487 0.246 0.000 1.003 277 N HN 0.460 nan 8.380 nan 0.000 0.424 278 T N 0.110 114.707 114.554 0.071 0.000 2.708 278 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 278 T C 2.129 176.837 174.700 0.014 0.000 1.037 278 T CA 1.183 63.319 62.100 0.060 0.000 1.146 278 T CB -0.361 68.563 68.868 0.092 0.000 0.865 278 T HN 0.190 nan 8.240 nan 0.000 0.435 279 S N 1.354 117.052 115.700 -0.002 0.000 2.368 279 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 279 S C 1.940 176.532 174.600 -0.015 0.000 1.044 279 S CA 1.138 59.329 58.200 -0.014 0.000 1.062 279 S CB -0.570 62.608 63.200 -0.035 0.000 0.931 279 S HN 0.274 nan 8.310 nan 0.000 0.440 280 L N 1.402 122.574 121.223 -0.084 0.000 2.093 280 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 280 L C 2.305 179.171 176.870 -0.006 0.000 1.085 280 L CA 1.710 56.495 54.840 -0.092 0.000 0.755 280 L CB -0.942 40.950 42.059 -0.279 0.000 0.904 280 L HN 0.250 nan 8.230 nan 0.000 0.435 281 A N -0.255 122.547 122.820 -0.031 0.000 1.902 281 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 281 A C 2.242 179.811 177.584 -0.026 0.000 1.181 281 A CA 2.024 54.042 52.037 -0.031 0.000 0.623 281 A CB -0.845 18.134 19.000 -0.036 0.000 0.818 281 A HN 0.479 nan 8.150 nan 0.000 0.443 282 I N -1.997 118.571 120.570 -0.004 0.000 2.286 282 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 282 I C 2.455 178.577 176.117 0.008 0.000 1.115 282 I CA 1.730 63.025 61.300 -0.008 0.000 1.392 282 I CB -0.386 37.616 38.000 0.003 0.000 1.065 282 I HN 0.554 nan 8.210 nan 0.000 0.418 283 Y N 0.854 121.122 120.300 -0.053 0.000 2.200 283 Y HA -0.294 4.256 4.550 -0.000 0.000 0.290 283 Y C 2.726 178.610 175.900 -0.027 0.000 1.137 283 Y CA 1.587 59.664 58.100 -0.037 0.000 1.163 283 Y CB -0.391 38.045 38.460 -0.040 0.000 0.988 283 Y HN 0.157 nan 8.280 nan 0.000 0.518 284 C N 0.412 119.764 119.300 0.087 0.000 2.413 284 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 284 C C 2.761 177.709 174.990 -0.071 0.000 1.248 284 C CA 1.506 60.546 59.018 0.037 0.000 1.742 284 C CB -1.223 26.554 27.740 0.060 0.000 2.017 284 C HN 0.588 nan 8.230 nan 0.000 0.481 285 R N 1.742 122.150 120.500 -0.153 0.000 2.083 285 R HA -0.111 4.229 4.340 -0.000 0.000 0.237 285 R C 1.518 177.737 176.300 -0.135 0.000 1.137 285 R CA 2.032 58.004 56.100 -0.213 0.000 0.951 285 R CB -0.892 29.301 30.300 -0.179 0.000 0.851 285 R HN 0.440 nan 8.270 nan 0.000 0.434 286 D N -0.518 119.782 120.400 -0.167 0.000 2.347 286 D HA -0.013 4.627 4.640 -0.000 0.000 0.215 286 D C 0.374 176.549 176.300 -0.207 0.000 0.976 286 D CA 0.756 54.652 54.000 -0.173 0.000 0.884 286 D CB 0.078 40.766 40.800 -0.186 0.000 0.915 286 D HN 0.378 nan 8.370 nan 0.000 0.526 287 N N -0.857 117.690 118.700 -0.255 0.000 2.143 287 N HA 0.108 4.848 4.740 -0.000 0.000 0.222 287 N C 0.881 176.361 175.510 -0.050 0.000 1.264 287 N CA 0.363 53.285 53.050 -0.212 0.000 0.897 287 N CB 2.115 40.340 38.487 -0.437 0.000 1.092 287 N HN 0.054 nan 8.380 nan 0.000 0.516 288 G N 1.755 110.583 108.800 0.046 0.000 2.160 288 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.244 288 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.244 288 G C -0.161 174.797 174.900 0.097 0.000 1.022 288 G CA 0.004 45.187 45.100 0.138 0.000 0.741 288 G HN 0.221 nan 8.290 nan 0.000 0.508 289 L N 0.171 121.495 121.223 0.167 0.000 2.292 289 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 289 L C 1.215 178.192 176.870 0.178 0.000 1.065 289 L CA -0.950 53.965 54.840 0.125 0.000 0.806 289 L CB 1.127 43.264 42.059 0.131 0.000 1.175 289 L HN 0.085 nan 8.230 nan 0.000 0.431 290 L N 3.865 125.097 121.223 0.015 0.000 2.426 290 L HA 0.191 4.531 4.340 -0.000 0.000 0.271 290 L C -0.354 176.467 176.870 -0.082 0.000 1.169 290 L CA -0.182 54.646 54.840 -0.020 0.000 0.836 290 L CB 0.917 42.881 42.059 -0.159 0.000 1.112 290 L HN 0.405 nan 8.230 nan 0.000 0.465 291 L N 3.178 124.325 121.223 -0.127 0.000 2.345 291 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 291 L C -0.550 176.152 176.870 -0.281 0.000 0.999 291 L CA -0.233 54.517 54.840 -0.150 0.000 0.849 291 L CB 1.034 43.049 42.059 -0.073 0.000 1.220 291 L HN 0.460 nan 8.230 nan 0.000 0.422 292 H N 5.442 124.235 119.070 -0.462 0.000 2.604 292 H HA 0.514 5.070 4.556 -0.000 0.000 0.306 292 H C -0.763 174.450 175.328 -0.191 0.000 1.075 292 H CA -0.528 55.203 56.048 -0.529 0.000 1.357 292 H CB 0.710 29.837 29.762 -1.060 0.000 1.426 292 H HN 0.507 nan 8.280 nan 0.000 0.470 293 I N 5.923 126.153 120.570 -0.566 0.000 2.321 293 I HA 0.092 4.262 4.170 -0.000 0.000 0.291 293 I C 0.336 176.318 176.117 -0.224 0.000 0.998 293 I CA -0.310 60.819 61.300 -0.285 0.000 1.227 293 I CB 0.602 38.420 38.000 -0.304 0.000 1.368 293 I HN 0.721 nan 8.210 nan 0.000 0.466 294 H N 7.601 126.624 119.070 -0.078 0.000 2.502 294 H HA 0.286 4.842 4.556 -0.000 0.000 0.327 294 H C 0.421 175.729 175.328 -0.033 0.000 1.099 294 H CA -0.371 55.593 56.048 -0.139 0.000 1.323 294 H CB 1.328 31.026 29.762 -0.106 0.000 1.450 294 H HN 0.569 nan 8.280 nan 0.000 0.502 295 R N 3.050 123.381 120.500 -0.282 0.000 2.586 295 R HA 0.419 4.759 4.340 -0.000 0.000 0.306 295 R C 0.140 176.469 176.300 0.049 0.000 1.079 295 R CA -0.458 55.653 56.100 0.018 0.000 1.083 295 R CB 0.011 30.302 30.300 -0.015 0.000 1.306 295 R HN 0.369 nan 8.270 nan 0.000 0.567 296 A N 1.486 124.447 122.820 0.235 0.000 2.598 296 A HA 0.032 4.352 4.320 -0.000 0.000 0.239 296 A C 0.975 178.568 177.584 0.015 0.000 1.032 296 A CA 0.937 53.083 52.037 0.181 0.000 0.760 296 A CB -0.177 18.884 19.000 0.102 0.000 0.946 296 A HN 0.858 nan 8.150 nan 0.000 0.512 297 M N 0.182 119.780 119.600 -0.004 0.000 2.995 297 M HA -0.301 4.179 4.480 -0.000 0.000 0.207 297 M C 1.102 177.350 176.300 -0.087 0.000 0.593 297 M CA 1.837 57.092 55.300 -0.075 0.000 0.791 297 M CB -1.978 30.558 32.600 -0.106 0.000 2.827 297 M HN 1.276 nan 8.290 nan 0.000 0.293 298 H N -0.823 118.190 119.070 -0.094 0.000 2.352 298 H HA 0.178 4.734 4.556 -0.000 0.000 0.299 298 H C 1.720 177.021 175.328 -0.044 0.000 1.097 298 H CA 2.054 58.073 56.048 -0.048 0.000 1.311 298 H CB -0.565 29.203 29.762 0.010 0.000 1.377 298 H HN 0.487 nan 8.280 nan 0.000 0.504 299 A N 1.121 123.383 122.820 -0.930 0.000 2.121 299 A HA -0.009 4.310 4.320 -0.000 0.000 0.218 299 A C 2.460 179.888 177.584 -0.259 0.000 1.154 299 A CA 1.094 52.760 52.037 -0.620 0.000 0.679 299 A CB -0.703 17.913 19.000 -0.640 0.000 0.795 299 A HN 0.372 nan 8.150 nan 0.000 0.458 300 V N -0.280 119.520 119.914 -0.190 0.000 2.515 300 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 300 V C 2.216 178.278 176.094 -0.053 0.000 1.058 300 V CA 2.024 64.265 62.300 -0.097 0.000 1.064 300 V CB -0.493 31.283 31.823 -0.078 0.000 0.675 300 V HN 0.616 nan 8.190 nan 0.000 0.461 301 I N 0.698 121.237 120.570 -0.052 0.000 2.731 301 I HA -0.028 4.142 4.170 -0.000 0.000 0.260 301 I C 1.718 177.838 176.117 0.004 0.000 1.138 301 I CA 1.179 62.471 61.300 -0.013 0.000 1.461 301 I CB -0.108 37.896 38.000 0.007 0.000 1.128 301 I HN 0.457 nan 8.210 nan 0.000 0.438 302 D N -0.491 119.902 120.400 -0.012 0.000 2.433 302 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 302 D C 1.829 178.114 176.300 -0.026 0.000 1.114 302 D CA -0.042 53.958 54.000 0.002 0.000 0.837 302 D CB 0.028 40.863 40.800 0.057 0.000 0.984 302 D HN -0.065 nan 8.370 nan 0.000 0.505 303 R N 0.240 120.718 120.500 -0.038 0.000 2.075 303 R HA 0.066 4.406 4.340 -0.000 0.000 0.226 303 R C 0.438 176.752 176.300 0.023 0.000 1.114 303 R CA 1.099 57.181 56.100 -0.031 0.000 0.972 303 R CB -0.164 30.099 30.300 -0.062 0.000 0.869 303 R HN 0.036 nan 8.270 nan 0.000 0.437 304 Q N 0.527 120.356 119.800 0.048 0.000 2.288 304 Q HA 0.080 4.420 4.340 -0.000 0.000 0.254 304 Q C 0.355 176.420 176.000 0.109 0.000 0.932 304 Q CA 0.082 55.932 55.803 0.078 0.000 0.902 304 Q CB 1.383 30.176 28.738 0.091 0.000 1.203 304 Q HN 0.228 nan 8.270 nan 0.000 0.415 305 R N 2.391 122.955 120.500 0.106 0.000 2.115 305 R HA -0.155 4.185 4.340 -0.000 0.000 0.230 305 R C 1.306 177.678 176.300 0.120 0.000 1.111 305 R CA 1.727 57.899 56.100 0.121 0.000 0.976 305 R CB 0.274 30.635 30.300 0.102 0.000 0.870 305 R HN 0.651 nan 8.270 nan 0.000 0.445 306 N N -1.074 117.700 118.700 0.123 0.000 2.416 306 N HA -0.109 4.631 4.740 -0.000 0.000 0.177 306 N C -0.242 175.392 175.510 0.207 0.000 1.036 306 N CA 0.895 54.025 53.050 0.134 0.000 0.901 306 N CB -0.002 38.551 38.487 0.109 0.000 0.976 306 N HN 0.273 nan 8.380 nan 0.000 0.444 307 H N -1.495 117.642 119.070 0.111 0.000 2.954 307 H HA 0.596 5.152 4.556 -0.000 0.000 0.361 307 H C 0.151 175.583 175.328 0.173 0.000 1.122 307 H CA 0.363 56.508 56.048 0.162 0.000 1.217 307 H CB 1.526 31.371 29.762 0.138 0.000 1.776 307 H HN 0.368 nan 8.280 nan 0.000 0.533 308 G N 2.391 111.109 108.800 -0.137 0.000 2.295 308 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.195 308 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.195 308 G C -1.501 173.402 174.900 0.006 0.000 1.269 308 G CA -0.315 44.743 45.100 -0.069 0.000 1.170 308 G HN 0.654 nan 8.290 nan 0.000 0.511 309 I N 0.981 121.547 120.570 -0.005 0.000 2.499 309 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 309 I C 0.166 176.335 176.117 0.087 0.000 1.048 309 I CA -0.871 60.442 61.300 0.022 0.000 1.062 309 I CB 1.994 39.964 38.000 -0.050 0.000 1.238 309 I HN 0.677 nan 8.210 nan 0.000 0.426 310 H N 4.908 124.004 119.070 0.043 0.000 2.790 310 H HA 0.011 4.567 4.556 -0.000 0.000 0.358 310 H C 0.501 175.896 175.328 0.111 0.000 1.103 310 H CA 0.592 56.700 56.048 0.100 0.000 1.426 310 H CB 1.066 30.886 29.762 0.096 0.000 1.424 310 H HN 0.655 nan 8.280 nan 0.000 0.599 311 F N 5.272 125.016 119.950 -0.344 0.000 2.192 311 F HA -0.243 4.283 4.527 -0.000 0.000 0.301 311 F C 2.607 178.345 175.800 -0.104 0.000 1.079 311 F CA 1.870 59.729 58.000 -0.234 0.000 1.303 311 F CB -0.102 38.607 39.000 -0.484 0.000 1.024 311 F HN 0.686 nan 8.300 nan 0.000 0.494 312 R N -0.366 120.198 120.500 0.107 0.000 2.127 312 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 312 R C 1.763 178.036 176.300 -0.046 0.000 1.134 312 R CA 1.930 58.051 56.100 0.036 0.000 0.975 312 R CB -1.415 29.084 30.300 0.332 0.000 0.865 312 R HN 0.313 nan 8.270 nan 0.000 0.447 313 V N 1.785 121.705 119.914 0.010 0.000 2.407 313 V HA -0.123 3.996 4.120 -0.000 0.000 0.245 313 V C 2.442 178.578 176.094 0.069 0.000 1.041 313 V CA 1.312 63.630 62.300 0.030 0.000 1.040 313 V CB -0.350 31.475 31.823 0.003 0.000 0.671 313 V HN 0.262 nan 8.190 nan 0.000 0.455 314 L N 0.261 121.485 121.223 0.002 0.000 2.131 314 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 314 L C 2.661 179.465 176.870 -0.111 0.000 1.092 314 L CA 1.424 56.328 54.840 0.107 0.000 0.759 314 L CB -0.764 41.365 42.059 0.117 0.000 0.903 314 L HN 0.367 nan 8.230 nan 0.000 0.435 315 A N 0.044 122.521 122.820 -0.573 0.000 1.897 315 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 315 A C 2.356 179.829 177.584 -0.184 0.000 1.181 315 A CA 1.169 52.881 52.037 -0.540 0.000 0.620 315 A CB -0.211 18.331 19.000 -0.763 0.000 0.821 315 A HN 0.253 nan 8.150 nan 0.000 0.443 316 K N -0.174 120.210 120.400 -0.026 0.000 2.026 316 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 316 K C 2.342 178.995 176.600 0.088 0.000 1.048 316 K CA 1.125 57.520 56.287 0.180 0.000 0.929 316 K CB -0.351 32.286 32.500 0.227 0.000 0.713 316 K HN 0.424 nan 8.250 nan 0.000 0.439 317 A N 2.006 124.863 122.820 0.062 0.000 1.892 317 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 317 A C 2.066 179.632 177.584 -0.030 0.000 1.188 317 A CA 1.257 53.272 52.037 -0.035 0.000 0.631 317 A CB -0.661 18.311 19.000 -0.047 0.000 0.822 317 A HN 0.270 nan 8.150 nan 0.000 0.447 318 L N -0.467 120.758 121.223 0.004 0.000 2.056 318 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 318 L C 2.503 179.244 176.870 -0.214 0.000 1.078 318 L CA 2.344 57.074 54.840 -0.183 0.000 0.749 318 L CB -0.849 40.843 42.059 -0.612 0.000 0.901 318 L HN 0.561 nan 8.230 nan 0.000 0.433 319 R N -0.479 119.878 120.500 -0.239 0.000 2.091 319 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 319 R C 2.343 178.488 176.300 -0.258 0.000 1.136 319 R CA 1.921 57.829 56.100 -0.321 0.000 0.959 319 R CB -0.147 29.814 30.300 -0.566 0.000 0.856 319 R HN 0.348 nan 8.270 nan 0.000 0.437 320 M N -0.727 118.732 119.600 -0.234 0.000 2.099 320 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 320 M C 2.523 178.736 176.300 -0.146 0.000 1.067 320 M CA 1.841 56.920 55.300 -0.368 0.000 1.124 320 M CB -0.235 31.854 32.600 -0.853 0.000 1.353 320 M HN 0.158 nan 8.290 nan 0.000 0.410 321 S N -0.328 115.329 115.700 -0.071 0.000 2.368 321 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 321 S C 0.852 175.477 174.600 0.042 0.000 1.029 321 S CA 1.220 59.471 58.200 0.084 0.000 0.988 321 S CB -0.319 63.008 63.200 0.212 0.000 0.838 321 S HN 0.659 nan 8.310 nan 0.000 0.462 322 G N -1.450 107.323 108.800 -0.045 0.000 3.162 322 G HA2 0.420 4.379 3.960 -0.000 0.000 0.599 322 G HA3 0.420 4.379 3.960 -0.000 0.000 0.599 322 G C -0.330 174.498 174.900 -0.119 0.000 1.335 322 G CA -0.446 44.607 45.100 -0.078 0.000 1.091 322 G HN 1.024 nan 8.290 nan 0.000 0.570 323 G N 0.793 109.502 108.800 -0.151 0.000 2.716 323 G HA2 0.580 4.540 3.960 -0.000 0.000 0.299 323 G HA3 0.580 4.540 3.960 -0.000 0.000 0.299 323 G C -0.088 174.726 174.900 -0.142 0.000 1.450 323 G CA 0.111 45.111 45.100 -0.168 0.000 0.968 323 G HN 0.314 nan 8.290 nan 0.000 0.566 324 D N 0.008 120.335 120.400 -0.122 0.000 2.213 324 D HA 0.054 4.693 4.640 -0.000 0.000 0.205 324 D C 0.378 176.730 176.300 0.086 0.000 0.961 324 D CA 1.124 55.098 54.000 -0.043 0.000 0.853 324 D CB 0.317 41.084 40.800 -0.054 0.000 0.967 324 D HN 0.575 nan 8.370 nan 0.000 0.496 325 H N -0.758 118.169 119.070 -0.239 0.000 2.690 325 H HA 0.528 5.083 4.556 -0.000 0.000 0.368 325 H C -1.108 173.995 175.328 -0.376 0.000 1.150 325 H CA -1.024 54.846 56.048 -0.296 0.000 1.174 325 H CB 2.689 32.231 29.762 -0.366 0.000 1.684 325 H HN -0.117 nan 8.280 nan 0.000 0.538 326 L N 2.184 123.302 121.223 -0.175 0.000 2.464 326 L HA 0.230 4.570 4.340 -0.000 0.000 0.266 326 L C -0.786 176.038 176.870 -0.077 0.000 0.965 326 L CA -0.439 54.305 54.840 -0.161 0.000 0.833 326 L CB 1.621 43.596 42.059 -0.139 0.000 1.296 326 L HN 0.704 nan 8.230 nan 0.000 0.405 327 H N 2.635 121.585 119.070 -0.201 0.000 2.964 327 H HA 0.135 4.691 4.556 -0.000 0.000 0.328 327 H C 0.336 175.585 175.328 -0.131 0.000 1.030 327 H CA 0.942 56.874 56.048 -0.193 0.000 1.445 327 H CB 0.999 30.573 29.762 -0.314 0.000 1.449 327 H HN 0.784 nan 8.280 nan 0.000 0.581 328 S N 1.867 117.567 115.700 -0.001 0.000 2.578 328 S HA 0.291 4.761 4.470 -0.000 0.000 0.228 328 S C 1.007 175.719 174.600 0.186 0.000 1.022 328 S CA 0.088 58.420 58.200 0.220 0.000 0.967 328 S CB 1.067 64.501 63.200 0.390 0.000 0.914 328 S HN 1.072 nan 8.310 nan 0.000 0.515 329 G N 1.260 110.058 108.800 -0.002 0.000 2.756 329 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.678 329 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.678 329 G C 0.270 175.236 174.900 0.109 0.000 1.349 329 G CA 0.166 45.282 45.100 0.026 0.000 0.847 329 G HN 1.000 nan 8.290 nan 0.000 0.548 330 T N -3.276 111.316 114.554 0.063 0.000 2.959 330 T HA 0.449 4.799 4.350 -0.000 0.000 0.254 330 T C 1.856 176.609 174.700 0.089 0.000 1.003 330 T CA 1.308 63.458 62.100 0.083 0.000 0.950 330 T CB 0.431 69.239 68.868 -0.099 0.000 1.090 330 T HN 2.284 nan 8.240 nan 0.000 0.503 331 V N 0.948 120.890 119.914 0.048 0.000 0.456 331 V HA -0.344 3.776 4.120 -0.000 0.000 0.092 331 V C 2.131 178.228 176.094 0.006 0.000 2.503 331 V CA 2.089 64.399 62.300 0.018 0.000 3.694 331 V CB -2.029 29.783 31.823 -0.018 0.000 0.970 331 V HN 0.703 nan 8.190 nan 0.000 1.019 332 V N -1.316 118.575 119.914 -0.038 0.000 3.590 332 V HA 0.641 4.760 4.120 -0.000 0.000 0.265 332 V C 1.320 177.324 176.094 -0.149 0.000 1.239 332 V CA 1.319 63.580 62.300 -0.065 0.000 1.117 332 V CB -0.099 31.674 31.823 -0.083 0.000 0.818 332 V HN 0.907 nan 8.190 nan 0.000 0.451 333 G N 1.285 109.945 108.800 -0.234 0.000 2.509 333 G HA2 0.270 4.230 3.960 -0.000 0.000 0.269 333 G HA3 0.270 4.230 3.960 -0.000 0.000 0.269 333 G C 0.770 175.377 174.900 -0.489 0.000 1.416 333 G CA 0.038 44.916 45.100 -0.370 0.000 1.052 333 G HN 0.490 nan 8.290 nan 0.000 0.542 334 K N -1.229 118.639 120.400 -0.887 0.000 2.362 334 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 334 K C 0.284 176.693 176.600 -0.318 0.000 1.046 334 K CA 0.551 56.307 56.287 -0.885 0.000 0.952 334 K CB -0.290 31.698 32.500 -0.854 0.000 0.753 334 K HN 0.185 nan 8.250 nan 0.000 0.466 335 L N 1.770 122.859 121.223 -0.222 0.000 2.331 335 L HA 0.290 4.630 4.340 -0.000 0.000 0.275 335 L C -0.031 176.807 176.870 -0.054 0.000 1.022 335 L CA -0.997 53.774 54.840 -0.115 0.000 0.812 335 L CB 1.710 43.716 42.059 -0.088 0.000 1.257 335 L HN 0.091 nan 8.230 nan 0.000 0.435 336 E N 0.832 121.016 120.200 -0.027 0.000 2.414 336 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 336 E C -0.329 176.296 176.600 0.041 0.000 1.000 336 E CA 0.046 56.456 56.400 0.017 0.000 0.914 336 E CB 0.667 30.376 29.700 0.015 0.000 0.948 336 E HN 0.743 nan 8.360 nan 0.000 0.444 337 G N 4.317 113.156 108.800 0.066 0.000 2.078 337 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.297 337 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.297 337 G C -1.109 173.839 174.900 0.080 0.000 1.370 337 G CA -0.701 44.458 45.100 0.100 0.000 1.222 337 G HN 0.477 nan 8.290 nan 0.000 0.586 338 E N 2.336 122.594 120.200 0.098 0.000 2.360 338 E HA 0.113 4.463 4.350 -0.000 0.000 0.269 338 E C 1.424 178.030 176.600 0.009 0.000 1.022 338 E CA -0.511 55.928 56.400 0.064 0.000 0.887 338 E CB 1.047 30.800 29.700 0.088 0.000 0.990 338 E HN 0.596 nan 8.360 nan 0.000 0.426 339 R N 3.466 123.953 120.500 -0.021 0.000 2.097 339 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 339 R C 1.457 177.688 176.300 -0.115 0.000 1.135 339 R CA 1.804 57.856 56.100 -0.081 0.000 0.934 339 R CB 0.050 30.312 30.300 -0.064 0.000 0.846 339 R HN 0.520 nan 8.270 nan 0.000 0.431 340 E N 0.031 120.188 120.200 -0.070 0.000 2.072 340 E HA -0.124 4.225 4.350 -0.000 0.000 0.191 340 E C 2.116 178.663 176.600 -0.089 0.000 0.985 340 E CA 0.968 57.322 56.400 -0.076 0.000 0.801 340 E CB -0.282 29.393 29.700 -0.042 0.000 0.750 340 E HN 0.215 nan 8.360 nan 0.000 0.452 341 V N 1.393 121.282 119.914 -0.041 0.000 2.343 341 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 341 V C 2.289 178.231 176.094 -0.252 0.000 1.051 341 V CA 2.091 64.400 62.300 0.014 0.000 1.036 341 V CB -0.623 31.330 31.823 0.217 0.000 0.654 341 V HN 0.300 nan 8.190 nan 0.000 0.451 342 T N 0.236 114.526 114.554 -0.439 0.000 2.737 342 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 342 T C 1.883 176.098 174.700 -0.809 0.000 1.038 342 T CA 1.420 62.911 62.100 -1.015 0.000 1.144 342 T CB -0.281 68.321 68.868 -0.443 0.000 0.866 342 T HN 0.294 nan 8.240 nan 0.000 0.434 343 L N 0.726 121.690 121.223 -0.432 0.000 2.079 343 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 343 L C 2.938 179.688 176.870 -0.200 0.000 1.081 343 L CA 1.344 56.009 54.840 -0.290 0.000 0.752 343 L CB -0.973 40.963 42.059 -0.204 0.000 0.896 343 L HN 0.373 nan 8.230 nan 0.000 0.433 344 G N 0.838 109.526 108.800 -0.186 0.000 2.433 344 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 344 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 344 G C 1.289 176.225 174.900 0.059 0.000 1.186 344 G CA 0.952 46.024 45.100 -0.047 0.000 0.779 344 G HN 0.477 nan 8.290 nan 0.000 0.543 345 F N 0.652 120.689 119.950 0.144 0.000 2.456 345 F HA 0.244 4.771 4.527 -0.000 0.000 0.298 345 F C 2.175 178.066 175.800 0.151 0.000 1.104 345 F CA -0.041 58.060 58.000 0.169 0.000 1.435 345 F CB -0.880 38.262 39.000 0.237 0.000 1.078 345 F HN -0.009 nan 8.300 nan 0.000 0.546 346 V N 1.378 121.383 119.914 0.151 0.000 2.343 346 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 346 V C 2.167 178.344 176.094 0.139 0.000 1.051 346 V CA 2.349 64.762 62.300 0.189 0.000 1.036 346 V CB -0.682 31.197 31.823 0.092 0.000 0.654 346 V HN 0.239 nan 8.190 nan 0.000 0.451 347 D N 0.033 120.490 120.400 0.096 0.000 2.123 347 D HA -0.143 4.496 4.640 -0.000 0.000 0.196 347 D C 2.103 178.495 176.300 0.154 0.000 0.992 347 D CA 1.252 55.314 54.000 0.103 0.000 0.833 347 D CB -0.282 40.567 40.800 0.082 0.000 0.954 347 D HN 0.339 nan 8.370 nan 0.000 0.455 348 L N -0.193 121.158 121.223 0.214 0.000 2.131 348 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 348 L C 2.505 179.480 176.870 0.175 0.000 1.092 348 L CA 0.778 55.810 54.840 0.321 0.000 0.759 348 L CB -0.244 42.025 42.059 0.349 0.000 0.903 348 L HN 0.042 nan 8.230 nan 0.000 0.435 349 M N -1.345 118.306 119.600 0.084 0.000 2.200 349 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 349 M C 2.321 178.524 176.300 -0.162 0.000 1.066 349 M CA 1.626 56.877 55.300 -0.081 0.000 1.127 349 M CB -0.118 32.500 32.600 0.030 0.000 1.379 349 M HN 0.113 nan 8.290 nan 0.000 0.420 350 R N -0.440 120.031 120.500 -0.048 0.000 2.123 350 R HA 0.078 4.418 4.340 -0.000 0.000 0.209 350 R C 0.075 176.355 176.300 -0.033 0.000 1.078 350 R CA 0.385 56.461 56.100 -0.040 0.000 1.028 350 R CB 0.171 30.486 30.300 0.025 0.000 0.939 350 R HN 0.277 nan 8.270 nan 0.000 0.463 351 D N 0.165 120.583 120.400 0.030 0.000 2.387 351 D HA -0.003 4.637 4.640 -0.000 0.000 0.251 351 D C 0.272 176.669 176.300 0.161 0.000 1.141 351 D CA -0.029 54.031 54.000 0.099 0.000 0.987 351 D CB 1.115 42.002 40.800 0.145 0.000 1.116 351 D HN -0.079 nan 8.370 nan 0.000 0.491 352 D N -1.260 119.265 120.400 0.209 0.000 2.249 352 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 352 D C -0.620 175.934 176.300 0.424 0.000 0.962 352 D CA 0.640 54.819 54.000 0.297 0.000 0.860 352 D CB 0.259 41.188 40.800 0.215 0.000 0.955 352 D HN 0.309 nan 8.370 nan 0.000 0.505 353 Y N -0.170 120.248 120.300 0.197 0.000 2.330 353 Y HA 0.428 4.978 4.550 -0.000 0.000 0.324 353 Y C -1.684 174.291 175.900 0.125 0.000 1.093 353 Y CA -0.956 57.227 58.100 0.138 0.000 1.103 353 Y CB 1.556 40.067 38.460 0.085 0.000 1.183 353 Y HN -0.332 nan 8.280 nan 0.000 0.433 354 V N 5.864 125.717 119.914 -0.101 0.000 2.407 354 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 354 V C -0.436 175.575 176.094 -0.139 0.000 1.018 354 V CA -1.025 61.264 62.300 -0.019 0.000 0.842 354 V CB 1.482 33.347 31.823 0.069 0.000 0.996 354 V HN 0.665 nan 8.190 nan 0.000 0.426 355 E N 2.869 123.056 120.200 -0.021 0.000 2.373 355 E HA 0.128 4.478 4.350 -0.000 0.000 0.267 355 E C 0.075 176.665 176.600 -0.017 0.000 1.032 355 E CA -0.468 55.926 56.400 -0.010 0.000 0.889 355 E CB 1.138 30.881 29.700 0.070 0.000 0.984 355 E HN 0.558 nan 8.360 nan 0.000 0.425 356 K N 2.157 122.546 120.400 -0.018 0.000 2.543 356 K HA -0.162 4.158 4.320 -0.000 0.000 0.279 356 K C -0.578 175.997 176.600 -0.042 0.000 1.001 356 K CA 0.813 57.084 56.287 -0.026 0.000 1.088 356 K CB 0.261 32.749 32.500 -0.020 0.000 0.863 356 K HN 0.338 nan 8.250 nan 0.000 0.488 357 D N 4.033 124.389 120.400 -0.074 0.000 2.362 357 D HA 0.140 4.780 4.640 -0.000 0.000 0.232 357 D C 0.262 176.481 176.300 -0.134 0.000 1.329 357 D CA -0.480 53.472 54.000 -0.079 0.000 0.944 357 D CB 0.549 41.323 40.800 -0.043 0.000 1.471 357 D HN 0.486 nan 8.370 nan 0.000 0.533 358 R N 0.722 121.114 120.500 -0.180 0.000 2.152 358 R HA -0.067 4.272 4.340 -0.000 0.000 0.232 358 R C 1.820 178.004 176.300 -0.193 0.000 1.117 358 R CA 1.210 57.146 56.100 -0.272 0.000 0.981 358 R CB -0.586 29.548 30.300 -0.277 0.000 0.870 358 R HN 0.496 nan 8.270 nan 0.000 0.451 359 S N 0.158 115.787 115.700 -0.119 0.000 2.507 359 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 359 S C 1.516 176.076 174.600 -0.067 0.000 0.988 359 S CA 0.552 58.703 58.200 -0.080 0.000 0.944 359 S CB 0.017 63.183 63.200 -0.057 0.000 0.762 359 S HN 0.265 nan 8.310 nan 0.000 0.526 360 R N -0.017 120.439 120.500 -0.074 0.000 2.472 360 R HA 0.313 4.653 4.340 -0.000 0.000 0.279 360 R C 1.274 177.550 176.300 -0.039 0.000 0.953 360 R CA 0.351 56.420 56.100 -0.051 0.000 1.088 360 R CB 0.439 30.713 30.300 -0.044 0.000 1.197 360 R HN 0.521 nan 8.270 nan 0.000 0.536 361 G N 1.813 110.561 108.800 -0.087 0.000 2.159 361 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.256 361 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.256 361 G C 0.174 175.077 174.900 0.006 0.000 0.977 361 G CA -0.187 44.874 45.100 -0.065 0.000 0.652 361 G HN 0.257 nan 8.290 nan 0.000 0.531 362 I N 1.140 121.681 120.570 -0.048 0.000 2.294 362 I HA 0.288 4.458 4.170 -0.000 0.000 0.295 362 I C 1.355 177.417 176.117 -0.091 0.000 1.098 362 I CA -0.747 60.562 61.300 0.014 0.000 1.277 362 I CB 0.293 38.302 38.000 0.016 0.000 1.434 362 I HN 0.075 nan 8.210 nan 0.000 0.498 363 Y N 5.228 125.410 120.300 -0.197 0.000 2.475 363 Y HA 0.144 4.694 4.550 -0.000 0.000 0.289 363 Y C 0.313 175.844 175.900 -0.616 0.000 1.121 363 Y CA 0.578 58.409 58.100 -0.448 0.000 1.257 363 Y CB -0.004 38.046 38.460 -0.683 0.000 1.026 363 Y HN 0.309 nan 8.280 nan 0.000 0.555 364 F N -1.718 118.324 119.950 0.152 0.000 2.576 364 F HA 0.380 4.907 4.527 -0.000 0.000 0.313 364 F C 0.270 176.047 175.800 -0.038 0.000 1.078 364 F CA -1.758 56.278 58.000 0.061 0.000 0.921 364 F CB 0.992 40.021 39.000 0.049 0.000 1.232 364 F HN -0.498 nan 8.300 nan 0.000 0.459 365 T N 1.754 116.379 114.554 0.118 0.000 2.888 365 T HA 0.226 4.576 4.350 -0.000 0.000 0.301 365 T C -0.441 174.153 174.700 -0.176 0.000 1.001 365 T CA 0.052 62.103 62.100 -0.082 0.000 1.147 365 T CB 0.530 69.336 68.868 -0.103 0.000 0.931 365 T HN 0.425 nan 8.240 nan 0.000 0.541 366 Q N 2.668 122.271 119.800 -0.329 0.000 2.327 366 Q HA 0.338 4.678 4.340 -0.000 0.000 0.270 366 Q C -1.510 174.148 176.000 -0.570 0.000 1.022 366 Q CA -0.663 54.878 55.803 -0.437 0.000 0.773 366 Q CB 1.253 29.754 28.738 -0.395 0.000 1.251 366 Q HN 0.480 nan 8.270 nan 0.000 0.457 367 D N 3.852 123.960 120.400 -0.486 0.000 2.349 367 D HA 0.275 4.915 4.640 -0.000 0.000 0.232 367 D C -1.104 175.073 176.300 -0.206 0.000 1.071 367 D CA -0.194 53.677 54.000 -0.215 0.000 0.832 367 D CB 0.416 41.214 40.800 -0.003 0.000 1.086 367 D HN 0.460 nan 8.370 nan 0.000 0.504 371 M N 3.861 123.529 119.600 0.114 0.000 2.252 371 M HA 0.184 4.664 4.480 -0.000 0.000 0.348 371 M C -2.574 173.699 176.300 -0.045 0.000 1.334 371 M CA -0.852 54.475 55.300 0.044 0.000 1.071 371 M CB 0.260 32.908 32.600 0.081 0.000 1.763 371 M HN -0.136 nan 8.290 nan 0.000 0.452 372 P HA 0.095 nan 4.420 nan 0.000 0.267 372 P C -0.455 176.749 177.300 -0.159 0.000 1.200 372 P CA -0.066 62.989 63.100 -0.075 0.000 0.772 372 P CB 0.337 32.006 31.700 -0.051 0.000 0.855 373 G N 1.123 109.846 108.800 -0.128 0.000 2.503 373 G HA2 0.396 4.356 3.960 -0.000 0.000 0.257 373 G HA3 0.396 4.356 3.960 -0.000 0.000 0.257 373 G C -0.658 174.159 174.900 -0.138 0.000 1.214 373 G CA -0.398 44.600 45.100 -0.170 0.000 0.839 373 G HN 0.360 nan 8.290 nan 0.000 0.559 374 V N 2.829 122.642 119.914 -0.169 0.000 2.439 374 V HA 0.263 4.383 4.120 -0.000 0.000 0.282 374 V C 0.490 176.540 176.094 -0.073 0.000 1.039 374 V CA -0.675 61.551 62.300 -0.123 0.000 0.913 374 V CB 1.432 33.152 31.823 -0.172 0.000 0.983 374 V HN 0.818 nan 8.190 nan 0.000 0.460 375 M N 9.765 129.335 119.600 -0.049 0.000 2.251 375 M HA 0.313 4.793 4.480 -0.000 0.000 0.346 375 M C -2.326 173.881 176.300 -0.156 0.000 1.499 375 M CA -1.196 54.044 55.300 -0.100 0.000 1.128 375 M CB 0.654 33.161 32.600 -0.155 0.000 1.809 375 M HN 0.354 nan 8.290 nan 0.000 0.464 376 P HA 0.119 nan 4.420 nan 0.000 0.275 376 P C -1.262 175.855 177.300 -0.305 0.000 1.227 376 P CA -0.241 62.789 63.100 -0.117 0.000 0.781 376 P CB 0.720 32.440 31.700 0.034 0.000 0.906 377 V N 2.970 122.676 119.914 -0.347 0.000 2.350 377 V HA 0.489 4.609 4.120 -0.000 0.000 0.285 377 V C 0.434 176.210 176.094 -0.529 0.000 1.014 377 V CA -0.815 61.199 62.300 -0.476 0.000 0.831 377 V CB 1.196 32.699 31.823 -0.535 0.000 1.000 377 V HN 0.685 nan 8.190 nan 0.000 0.433 378 A N 3.989 126.448 122.820 -0.602 0.000 2.276 378 A HA 0.823 5.143 4.320 -0.000 0.000 0.300 378 A C 0.094 177.426 177.584 -0.421 0.000 1.235 378 A CA -0.174 51.548 52.037 -0.525 0.000 0.867 378 A CB 0.927 19.494 19.000 -0.721 0.000 1.137 378 A HN 0.933 nan 8.150 nan 0.000 0.527 379 S N 1.743 117.261 115.700 -0.302 0.000 2.535 379 S HA 0.714 5.184 4.470 -0.000 0.000 0.272 379 S C -0.523 173.979 174.600 -0.163 0.000 1.149 379 S CA 0.455 58.510 58.200 -0.242 0.000 0.888 379 S CB 1.204 64.336 63.200 -0.112 0.000 1.110 379 S HN 2.609 nan 8.310 nan 0.000 0.463 380 G N 1.669 110.357 108.800 -0.187 0.000 2.730 380 G HA2 0.450 4.410 3.960 -0.000 0.000 0.644 380 G HA3 0.450 4.410 3.960 -0.000 0.000 0.644 380 G C 0.897 175.636 174.900 -0.268 0.000 1.168 380 G CA 0.367 45.362 45.100 -0.174 0.000 1.240 380 G HN 2.223 nan 8.290 nan 0.000 0.551 381 G N 0.174 108.840 108.800 -0.224 0.000 2.198 381 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.257 381 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.257 381 G C 0.587 175.438 174.900 -0.081 0.000 1.042 381 G CA 0.917 45.881 45.100 -0.226 0.000 0.791 381 G HN 2.255 nan 8.290 nan 0.000 0.502 382 I N -2.053 118.451 120.570 -0.110 0.000 2.577 382 I HA 0.959 5.128 4.170 -0.000 0.000 0.305 382 I C 0.263 176.587 176.117 0.344 0.000 0.986 382 I CA -1.301 60.014 61.300 0.024 0.000 1.189 382 I CB 1.580 39.428 38.000 -0.254 0.000 1.355 382 I HN 0.353 nan 8.210 nan 0.000 0.476 383 H N 1.257 120.704 119.070 0.628 0.000 2.942 383 H HA 0.441 4.997 4.556 -0.000 0.000 0.316 383 H C 0.660 176.138 175.328 0.250 0.000 1.323 383 H CA -0.426 55.784 56.048 0.271 0.000 1.144 383 H CB 0.588 30.226 29.762 -0.207 0.000 1.866 383 H HN 0.361 nan 8.280 nan 0.000 0.545 384 V N -2.758 117.297 119.914 0.235 0.000 2.370 384 V HA -0.286 3.834 4.120 -0.000 0.000 0.252 384 V C 1.368 177.443 176.094 -0.032 0.000 1.068 384 V CA 1.983 64.275 62.300 -0.014 0.000 1.061 384 V CB -1.290 30.452 31.823 -0.134 0.000 0.656 384 V HN 0.795 nan 8.190 nan 0.000 0.455 385 W N -0.220 121.200 121.300 0.201 0.000 2.465 385 W HA 0.015 4.675 4.660 -0.000 0.000 0.268 385 W C 2.631 179.102 176.519 -0.080 0.000 1.242 385 W CA 1.219 58.585 57.345 0.036 0.000 1.248 385 W CB -0.527 28.978 29.460 0.076 0.000 1.118 385 W HN 0.362 nan 8.180 nan 0.000 0.587 386 H N -0.810 118.355 119.070 0.159 0.000 2.548 386 H HA 0.003 4.558 4.556 -0.000 0.000 0.268 386 H C 1.888 177.305 175.328 0.149 0.000 0.975 386 H CA 1.043 57.155 56.048 0.106 0.000 1.195 386 H CB -0.411 29.361 29.762 0.016 0.000 1.397 386 H HN 0.173 nan 8.280 nan 0.000 0.572 387 M N 1.540 121.288 119.600 0.246 0.000 2.082 387 M HA -0.081 4.399 4.480 -0.000 0.000 0.258 387 M C -0.967 175.429 176.300 0.160 0.000 1.069 387 M CA 1.618 57.037 55.300 0.199 0.000 1.102 387 M CB -0.875 31.780 32.600 0.091 0.000 1.336 387 M HN 0.063 nan 8.290 nan 0.000 0.404 388 P HA -0.084 nan 4.420 nan 0.000 0.215 388 P C 1.191 178.564 177.300 0.121 0.000 1.157 388 P CA 2.283 65.452 63.100 0.115 0.000 0.868 388 P CB -0.383 31.386 31.700 0.114 0.000 0.788 389 A N -0.701 122.206 122.820 0.144 0.000 1.940 389 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 389 A C 2.250 179.910 177.584 0.126 0.000 1.176 389 A CA 1.553 53.664 52.037 0.122 0.000 0.631 389 A CB -1.723 17.363 19.000 0.142 0.000 0.814 389 A HN 0.107 nan 8.150 nan 0.000 0.446 390 L N -0.647 120.690 121.223 0.190 0.000 2.017 390 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 390 L C 2.492 179.532 176.870 0.284 0.000 1.073 390 L CA 1.172 56.180 54.840 0.279 0.000 0.745 390 L CB -0.561 41.653 42.059 0.259 0.000 0.894 390 L HN 0.244 nan 8.230 nan 0.000 0.432 391 V N -0.494 119.534 119.914 0.189 0.000 2.515 391 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 391 V C 2.525 178.685 176.094 0.109 0.000 1.058 391 V CA 1.614 64.004 62.300 0.150 0.000 1.064 391 V CB -0.508 31.379 31.823 0.107 0.000 0.675 391 V HN 0.473 nan 8.190 nan 0.000 0.461 392 E N 0.317 120.564 120.200 0.078 0.000 2.072 392 E HA -0.149 4.200 4.350 -0.000 0.000 0.190 392 E C 2.179 178.760 176.600 -0.031 0.000 0.982 392 E CA 1.280 57.697 56.400 0.028 0.000 0.803 392 E CB -0.033 29.682 29.700 0.024 0.000 0.755 392 E HN 0.600 nan 8.360 nan 0.000 0.453 393 I N -0.255 120.261 120.570 -0.090 0.000 2.202 393 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 393 I C 1.931 177.820 176.117 -0.380 0.000 1.091 393 I CA 1.137 62.240 61.300 -0.328 0.000 1.368 393 I CB -0.166 37.478 38.000 -0.594 0.000 1.058 393 I HN 0.034 nan 8.210 nan 0.000 0.410 394 F N 0.190 120.136 119.950 -0.006 0.000 2.582 394 F HA 0.336 4.863 4.527 -0.000 0.000 0.290 394 F C 1.631 177.432 175.800 0.002 0.000 1.115 394 F CA 0.581 58.576 58.000 -0.009 0.000 1.445 394 F CB -0.667 38.325 39.000 -0.014 0.000 1.126 394 F HN 0.141 nan 8.300 nan 0.000 0.574 395 G N 0.805 109.705 108.800 0.167 0.000 2.645 395 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.239 395 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.239 395 G C 0.230 175.203 174.900 0.121 0.000 1.331 395 G CA 0.152 45.320 45.100 0.113 0.000 0.890 395 G HN 0.161 nan 8.290 nan 0.000 0.572 396 D N 0.473 120.925 120.400 0.087 0.000 2.183 396 D HA 0.053 4.693 4.640 -0.000 0.000 0.203 396 D C 0.979 177.316 176.300 0.063 0.000 0.969 396 D CA 1.242 55.285 54.000 0.073 0.000 0.842 396 D CB -0.151 40.689 40.800 0.067 0.000 0.957 396 D HN 0.377 nan 8.370 nan 0.000 0.484 397 D N 0.845 121.287 120.400 0.069 0.000 2.608 397 D HA 0.458 5.098 4.640 -0.000 0.000 0.224 397 D C -0.291 176.025 176.300 0.026 0.000 1.123 397 D CA 0.159 54.188 54.000 0.048 0.000 1.030 397 D CB 0.057 40.889 40.800 0.054 0.000 1.093 397 D HN 0.047 nan 8.370 nan 0.000 0.497 398 A N 0.314 123.120 122.820 -0.025 0.000 2.601 398 A HA 0.531 4.851 4.320 -0.000 0.000 0.291 398 A C -1.298 176.190 177.584 -0.160 0.000 1.075 398 A CA -0.760 51.196 52.037 -0.136 0.000 0.671 398 A CB 1.429 20.314 19.000 -0.192 0.000 1.277 398 A HN 0.381 nan 8.150 nan 0.000 0.417 399 C N 1.428 120.575 119.300 -0.255 0.000 2.379 399 C HA 0.790 5.250 4.460 -0.000 0.000 0.323 399 C C -0.927 173.929 174.990 -0.224 0.000 1.262 399 C CA -0.556 58.360 59.018 -0.169 0.000 1.581 399 C CB -0.712 26.927 27.740 -0.168 0.000 2.221 399 C HN 0.664 nan 8.230 nan 0.000 0.497 400 L N 6.262 127.419 121.223 -0.110 0.000 2.305 400 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 400 L C -0.197 176.581 176.870 -0.153 0.000 1.013 400 L CA -0.129 54.610 54.840 -0.168 0.000 0.819 400 L CB 1.225 43.304 42.059 0.034 0.000 1.227 400 L HN 0.638 nan 8.230 nan 0.000 0.417 401 Q N 3.403 122.947 119.800 -0.426 0.000 2.333 401 Q HA 0.543 4.883 4.340 -0.000 0.000 0.267 401 Q C -1.528 174.152 176.000 -0.534 0.000 1.012 401 Q CA -0.458 55.176 55.803 -0.282 0.000 0.824 401 Q CB 2.582 31.223 28.738 -0.162 0.000 1.290 401 Q HN 0.429 nan 8.270 nan 0.000 0.449 402 F N 0.940 120.872 119.950 -0.030 0.000 2.532 402 F HA 0.351 4.878 4.527 -0.000 0.000 0.365 402 F C 0.896 176.683 175.800 -0.021 0.000 1.112 402 F CA -0.678 57.302 58.000 -0.033 0.000 1.082 402 F CB 1.313 40.297 39.000 -0.026 0.000 1.319 402 F HN 0.744 nan 8.300 nan 0.000 0.457 403 G N 1.601 110.449 108.800 0.081 0.000 2.624 403 G HA2 0.028 3.988 3.960 -0.000 0.000 0.216 403 G HA3 0.028 3.988 3.960 -0.000 0.000 0.216 403 G C 1.768 176.722 174.900 0.090 0.000 1.274 403 G CA 0.626 45.767 45.100 0.068 0.000 0.856 403 G HN 0.746 nan 8.290 nan 0.000 0.555 404 G N 0.590 109.433 108.800 0.072 0.000 2.462 404 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 404 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 404 G C 1.651 176.598 174.900 0.079 0.000 1.121 404 G CA 1.329 46.487 45.100 0.098 0.000 0.758 404 G HN 0.688 nan 8.290 nan 0.000 0.559 405 G N -0.666 108.129 108.800 -0.008 0.000 2.679 405 G HA2 0.126 4.085 3.960 -0.000 0.000 0.212 405 G HA3 0.126 4.085 3.960 -0.000 0.000 0.212 405 G C 1.458 176.453 174.900 0.158 0.000 1.137 405 G CA 1.554 46.564 45.100 -0.150 0.000 0.787 405 G HN 0.412 nan 8.290 nan 0.000 0.534 406 T N 0.185 114.865 114.554 0.210 0.000 3.114 406 T HA 0.105 4.455 4.350 -0.000 0.000 0.240 406 T C 1.960 176.790 174.700 0.216 0.000 0.983 406 T CA -0.105 62.113 62.100 0.196 0.000 1.151 406 T CB -0.025 68.912 68.868 0.115 0.000 0.974 406 T HN 0.054 nan 8.240 nan 0.000 0.442 407 L N 1.565 122.893 121.223 0.174 0.000 2.552 407 L HA 0.279 4.619 4.340 -0.000 0.000 0.227 407 L C 2.253 179.247 176.870 0.206 0.000 1.146 407 L CA 0.799 55.727 54.840 0.148 0.000 0.858 407 L CB -0.227 41.884 42.059 0.087 0.000 0.969 407 L HN 0.376 nan 8.230 nan 0.000 0.451 408 G N -3.070 105.927 108.800 0.330 0.000 3.088 408 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 408 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 408 G C 0.573 175.673 174.900 0.333 0.000 1.159 408 G CA -0.293 45.048 45.100 0.403 0.000 0.760 408 G HN 0.270 nan 8.290 nan 0.000 0.550 409 H N 1.991 121.204 119.070 0.238 0.000 2.928 409 H HA 0.063 4.618 4.556 -0.000 0.000 0.338 409 H C -1.071 174.212 175.328 -0.075 0.000 1.047 409 H CA -0.945 55.088 56.048 -0.025 0.000 1.435 409 H CB 1.980 31.752 29.762 0.017 0.000 1.428 409 H HN 0.019 nan 8.280 nan 0.000 0.590 410 P HA -0.122 nan 4.420 nan 0.000 0.225 410 P C 0.581 178.110 177.300 0.383 0.000 1.148 410 P CA 1.039 64.118 63.100 -0.035 0.000 0.779 410 P CB 0.114 31.681 31.700 -0.222 0.000 0.780 411 W N 0.352 121.850 121.300 0.330 0.000 3.132 411 W HA 0.517 5.177 4.660 -0.000 0.000 0.364 411 W C 1.042 177.595 176.519 0.058 0.000 1.129 411 W CA 0.291 57.732 57.345 0.161 0.000 1.815 411 W CB -0.590 28.946 29.460 0.127 0.000 1.099 411 W HN 0.038 nan 8.180 nan 0.000 0.605 412 G N 1.104 110.068 108.800 0.273 0.000 2.631 412 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.504 412 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.504 412 G C 0.638 175.570 174.900 0.054 0.000 1.306 412 G CA -0.175 45.002 45.100 0.128 0.000 0.897 412 G HN -0.014 nan 8.290 nan 0.000 0.520 413 N N 0.006 118.714 118.700 0.014 0.000 2.142 413 N HA 0.048 4.788 4.740 -0.000 0.000 0.186 413 N C 2.728 178.189 175.510 -0.082 0.000 1.023 413 N CA 2.567 55.604 53.050 -0.021 0.000 0.852 413 N CB -0.643 37.824 38.487 -0.034 0.000 0.998 413 N HN 1.090 nan 8.380 nan 0.000 0.424 414 A N 1.478 124.235 122.820 -0.105 0.000 1.858 414 A HA -0.051 4.268 4.320 -0.000 0.000 0.216 414 A C -0.196 177.300 177.584 -0.147 0.000 1.190 414 A CA 1.423 53.380 52.037 -0.133 0.000 0.617 414 A CB -1.564 17.354 19.000 -0.138 0.000 0.827 414 A HN 0.221 nan 8.150 nan 0.000 0.443 415 P HA -0.063 nan 4.420 nan 0.000 0.218 415 P C 1.700 178.659 177.300 -0.570 0.000 1.149 415 P CA 1.596 64.517 63.100 -0.297 0.000 0.817 415 P CB -0.345 31.237 31.700 -0.198 0.000 0.785 416 G N 0.327 108.802 108.800 -0.542 0.000 2.446 416 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 416 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 416 G C 1.661 176.490 174.900 -0.119 0.000 1.168 416 G CA 1.016 45.967 45.100 -0.250 0.000 0.771 416 G HN 0.320 nan 8.290 nan 0.000 0.551 417 A N 1.157 123.907 122.820 -0.116 0.000 1.898 417 A HA 0.294 4.614 4.320 -0.000 0.000 0.216 417 A C 2.832 180.350 177.584 -0.111 0.000 1.181 417 A CA 2.252 54.232 52.037 -0.095 0.000 0.620 417 A CB -0.840 18.108 19.000 -0.086 0.000 0.819 417 A HN 0.825 nan 8.150 nan 0.000 0.442 418 A N -0.113 122.632 122.820 -0.124 0.000 1.933 418 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 418 A C 2.484 180.007 177.584 -0.101 0.000 1.175 418 A CA 2.119 54.096 52.037 -0.101 0.000 0.628 418 A CB -0.970 17.971 19.000 -0.098 0.000 0.814 418 A HN 1.048 nan 8.150 nan 0.000 0.444 419 A N 0.312 123.053 122.820 -0.131 0.000 1.902 419 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 419 A C 1.898 179.403 177.584 -0.133 0.000 1.181 419 A CA 1.838 53.812 52.037 -0.105 0.000 0.623 419 A CB -0.834 18.140 19.000 -0.042 0.000 0.818 419 A HN 0.705 nan 8.150 nan 0.000 0.443 420 N N -1.215 117.371 118.700 -0.190 0.000 2.188 420 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 420 N C 1.953 177.350 175.510 -0.188 0.000 1.018 420 N CA 1.247 54.102 53.050 -0.325 0.000 0.858 420 N CB -0.125 38.063 38.487 -0.499 0.000 0.989 420 N HN 0.421 nan 8.380 nan 0.000 0.426 421 R N 1.089 121.522 120.500 -0.112 0.000 2.081 421 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 421 R C 1.733 178.021 176.300 -0.021 0.000 1.131 421 R CA 1.044 57.112 56.100 -0.054 0.000 0.960 421 R CB -0.711 29.565 30.300 -0.041 0.000 0.856 421 R HN 0.015 nan 8.270 nan 0.000 0.436 422 V N 0.790 120.702 119.914 -0.004 0.000 2.295 422 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 422 V C 2.347 178.457 176.094 0.027 0.000 1.049 422 V CA 1.919 64.259 62.300 0.066 0.000 1.024 422 V CB -0.937 30.961 31.823 0.125 0.000 0.648 422 V HN 0.545 nan 8.190 nan 0.000 0.447 423 A N 0.009 122.806 122.820 -0.038 0.000 1.865 423 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 423 A C 2.195 179.762 177.584 -0.030 0.000 1.191 423 A CA 2.315 54.315 52.037 -0.062 0.000 0.623 423 A CB -0.712 18.211 19.000 -0.129 0.000 0.826 423 A HN 0.483 nan 8.150 nan 0.000 0.444 424 L N -0.018 121.188 121.223 -0.029 0.000 2.012 424 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 424 L C 2.214 179.092 176.870 0.013 0.000 1.073 424 L CA 2.638 57.484 54.840 0.010 0.000 0.748 424 L CB -0.587 41.483 42.059 0.019 0.000 0.891 424 L HN 0.532 nan 8.230 nan 0.000 0.431 425 E N -0.379 119.824 120.200 0.006 0.000 2.106 425 E HA -0.176 4.173 4.350 -0.000 0.000 0.192 425 E C 2.179 178.773 176.600 -0.009 0.000 0.984 425 E CA 0.948 57.350 56.400 0.004 0.000 0.806 425 E CB -0.289 29.416 29.700 0.007 0.000 0.750 425 E HN 0.694 nan 8.360 nan 0.000 0.458 426 A N 0.998 123.812 122.820 -0.011 0.000 1.883 426 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 426 A C 2.464 180.039 177.584 -0.016 0.000 1.186 426 A CA 1.360 53.380 52.037 -0.028 0.000 0.624 426 A CB -0.935 18.054 19.000 -0.019 0.000 0.822 426 A HN 0.358 nan 8.150 nan 0.000 0.444 427 C N -1.045 118.256 119.300 0.001 0.000 2.429 427 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 427 C C 3.053 178.055 174.990 0.019 0.000 1.262 427 C CA 1.486 60.514 59.018 0.017 0.000 1.733 427 C CB -1.541 26.220 27.740 0.035 0.000 2.010 427 C HN 0.666 nan 8.230 nan 0.000 0.483 428 T N 0.272 114.837 114.554 0.019 0.000 2.674 428 T HA -0.279 4.071 4.350 -0.000 0.000 0.265 428 T C 1.845 176.549 174.700 0.008 0.000 1.039 428 T CA 1.818 63.930 62.100 0.020 0.000 1.150 428 T CB -0.466 68.416 68.868 0.023 0.000 0.864 428 T HN 0.673 nan 8.240 nan 0.000 0.427 429 Q N 0.807 120.603 119.800 -0.007 0.000 2.077 429 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 429 Q C 2.517 178.507 176.000 -0.016 0.000 0.989 429 Q CA 1.812 57.603 55.803 -0.020 0.000 0.853 429 Q CB -0.382 28.329 28.738 -0.045 0.000 0.907 429 Q HN 0.538 nan 8.270 nan 0.000 0.418 430 A N 1.356 124.168 122.820 -0.014 0.000 1.883 430 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 430 A C 2.170 179.756 177.584 0.003 0.000 1.186 430 A CA 1.699 53.732 52.037 -0.007 0.000 0.624 430 A CB -0.815 18.184 19.000 -0.001 0.000 0.822 430 A HN 0.456 nan 8.150 nan 0.000 0.444 431 R N 0.046 120.552 120.500 0.010 0.000 2.081 431 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 431 R C 1.819 178.125 176.300 0.011 0.000 1.131 431 R CA 1.818 57.927 56.100 0.015 0.000 0.960 431 R CB -0.531 29.784 30.300 0.024 0.000 0.856 431 R HN 0.749 nan 8.270 nan 0.000 0.436 432 N N 0.100 118.805 118.700 0.008 0.000 2.309 432 N HA -0.139 4.600 4.740 -0.000 0.000 0.182 432 N C 0.984 176.494 175.510 0.000 0.000 1.018 432 N CA 0.861 53.914 53.050 0.005 0.000 0.876 432 N CB 0.032 38.522 38.487 0.004 0.000 0.972 432 N HN 0.401 nan 8.380 nan 0.000 0.434 433 E N -0.309 119.889 120.200 -0.003 0.000 2.502 433 E HA 0.039 4.389 4.350 -0.000 0.000 0.194 433 E C 0.897 177.496 176.600 -0.002 0.000 1.062 433 E CA 0.060 56.456 56.400 -0.006 0.000 0.867 433 E CB 0.322 30.015 29.700 -0.013 0.000 0.888 433 E HN 0.447 nan 8.360 nan 0.000 0.510 434 G N 1.710 110.511 108.800 0.002 0.000 2.176 434 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 434 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 434 G C 0.168 175.071 174.900 0.006 0.000 0.986 434 G CA -0.445 44.657 45.100 0.004 0.000 0.643 434 G HN 0.052 nan 8.290 nan 0.000 0.522 435 R N 0.690 121.194 120.500 0.006 0.000 2.543 435 R HA 0.316 4.656 4.340 -0.000 0.000 0.277 435 R C -0.705 175.603 176.300 0.015 0.000 1.074 435 R CA -0.365 55.741 56.100 0.010 0.000 1.076 435 R CB 0.668 30.974 30.300 0.009 0.000 0.993 435 R HN 0.226 nan 8.270 nan 0.000 0.459 436 D N 3.098 123.508 120.400 0.017 0.000 2.347 436 D HA 0.070 4.710 4.640 -0.000 0.000 0.235 436 D C 1.041 177.357 176.300 0.027 0.000 1.149 436 D CA -0.200 53.811 54.000 0.019 0.000 0.850 436 D CB 0.812 41.622 40.800 0.017 0.000 1.061 436 D HN 0.404 nan 8.370 nan 0.000 0.487 437 L N 3.140 124.381 121.223 0.031 0.000 2.275 437 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 437 L C 2.351 179.250 176.870 0.048 0.000 1.119 437 L CA 0.844 55.709 54.840 0.042 0.000 0.790 437 L CB -0.228 41.858 42.059 0.046 0.000 0.919 437 L HN 0.454 nan 8.230 nan 0.000 0.443 438 A N 0.259 123.101 122.820 0.037 0.000 1.902 438 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 438 A C 2.357 179.965 177.584 0.040 0.000 1.181 438 A CA 1.740 53.799 52.037 0.036 0.000 0.623 438 A CB -0.252 18.762 19.000 0.022 0.000 0.818 438 A HN 0.283 nan 8.150 nan 0.000 0.443 439 R N -0.927 119.594 120.500 0.036 0.000 2.142 439 R HA 0.170 4.510 4.340 -0.000 0.000 0.204 439 R C 1.505 177.832 176.300 0.045 0.000 1.059 439 R CA 1.091 57.213 56.100 0.036 0.000 1.055 439 R CB -0.018 30.297 30.300 0.026 0.000 0.976 439 R HN 0.578 nan 8.270 nan 0.000 0.483 440 E N -0.255 119.972 120.200 0.044 0.000 2.465 440 E HA 0.103 4.453 4.350 -0.000 0.000 0.191 440 E C 1.426 178.064 176.600 0.064 0.000 1.053 440 E CA 0.258 56.686 56.400 0.048 0.000 0.869 440 E CB 0.518 30.239 29.700 0.035 0.000 0.977 440 E HN 0.420 nan 8.360 nan 0.000 0.483 441 G N 1.519 110.365 108.800 0.077 0.000 2.491 441 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 441 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 441 G C 1.533 176.514 174.900 0.136 0.000 1.180 441 G CA 0.905 46.064 45.100 0.099 0.000 0.774 441 G HN 0.416 nan 8.290 nan 0.000 0.562 442 G N 0.572 109.476 108.800 0.174 0.000 2.442 442 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 442 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 442 G C 1.492 176.515 174.900 0.206 0.000 1.141 442 G CA 1.392 46.651 45.100 0.264 0.000 0.763 442 G HN 0.365 nan 8.290 nan 0.000 0.554 443 D N 0.206 120.681 120.400 0.125 0.000 2.117 443 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 443 D C 2.810 179.149 176.300 0.065 0.000 0.982 443 D CA 0.690 54.744 54.000 0.090 0.000 0.828 443 D CB -0.452 40.386 40.800 0.062 0.000 0.967 443 D HN 0.207 nan 8.370 nan 0.000 0.464 444 V N 1.754 121.699 119.914 0.052 0.000 2.287 444 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 444 V C 2.496 178.591 176.094 0.002 0.000 1.053 444 V CA 1.039 63.353 62.300 0.023 0.000 1.027 444 V CB -0.277 31.557 31.823 0.020 0.000 0.646 444 V HN 0.159 nan 8.190 nan 0.000 0.447 445 I N -0.013 120.548 120.570 -0.016 0.000 2.179 445 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 445 I C 2.654 178.701 176.117 -0.117 0.000 1.088 445 I CA 1.686 62.903 61.300 -0.138 0.000 1.357 445 I CB -1.277 36.526 38.000 -0.328 0.000 1.051 445 I HN 0.314 nan 8.210 nan 0.000 0.409 446 R N 0.278 120.778 120.500 0.001 0.000 2.091 446 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 446 R C 2.463 178.797 176.300 0.057 0.000 1.136 446 R CA 1.726 57.864 56.100 0.064 0.000 0.959 446 R CB -0.304 30.084 30.300 0.146 0.000 0.856 446 R HN 0.303 nan 8.270 nan 0.000 0.437 447 S N 0.592 116.324 115.700 0.052 0.000 2.382 447 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 447 S C 2.015 176.675 174.600 0.100 0.000 1.027 447 S CA 1.305 59.541 58.200 0.059 0.000 0.991 447 S CB -0.111 63.105 63.200 0.027 0.000 0.823 447 S HN 0.487 nan 8.310 nan 0.000 0.469 448 A N 0.267 123.139 122.820 0.087 0.000 1.970 448 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 448 A C 2.366 180.069 177.584 0.200 0.000 1.170 448 A CA 0.988 53.140 52.037 0.191 0.000 0.645 448 A CB -1.142 17.925 19.000 0.110 0.000 0.816 448 A HN 0.582 nan 8.150 nan 0.000 0.447 449 C N -0.379 118.954 119.300 0.054 0.000 2.413 449 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 449 C C 2.613 177.629 174.990 0.044 0.000 1.228 449 C CA 1.545 60.565 59.018 0.003 0.000 1.731 449 C CB -1.041 26.683 27.740 -0.027 0.000 2.042 449 C HN 0.621 nan 8.230 nan 0.000 0.468 450 K N -1.310 119.143 120.400 0.089 0.000 2.360 450 K HA -0.188 4.132 4.320 -0.000 0.000 0.201 450 K C 1.576 178.260 176.600 0.141 0.000 1.046 450 K CA 1.449 57.794 56.287 0.096 0.000 0.945 450 K CB -0.095 32.465 32.500 0.101 0.000 0.750 450 K HN 0.801 nan 8.250 nan 0.000 0.464 451 W N -0.235 121.060 121.300 -0.009 0.000 2.699 451 W HA 0.199 4.859 4.660 -0.000 0.000 0.267 451 W C 0.215 176.733 176.519 -0.001 0.000 1.182 451 W CA -0.049 57.293 57.345 -0.005 0.000 1.453 451 W CB 0.431 29.885 29.460 -0.010 0.000 1.054 451 W HN -0.263 nan 8.180 nan 0.000 0.595 452 S N 1.396 116.851 115.700 -0.408 0.000 2.474 452 S HA 0.333 4.803 4.470 -0.000 0.000 0.321 452 S C -1.691 172.745 174.600 -0.274 0.000 1.080 452 S CA -1.540 56.293 58.200 -0.612 0.000 1.106 452 S CB 1.398 64.302 63.200 -0.493 0.000 0.984 452 S HN -0.115 nan 8.310 nan 0.000 0.464 453 P HA -0.008 nan 4.420 nan 0.000 0.219 453 P C 0.885 178.108 177.300 -0.128 0.000 1.150 453 P CA 0.837 63.912 63.100 -0.041 0.000 0.814 453 P CB 0.217 31.996 31.700 0.131 0.000 0.787 454 E N -0.388 119.747 120.200 -0.107 0.000 2.058 454 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 454 E C 1.847 178.339 176.600 -0.181 0.000 0.997 454 E CA 0.912 57.192 56.400 -0.199 0.000 0.801 454 E CB -1.327 28.300 29.700 -0.122 0.000 0.746 454 E HN 0.096 nan 8.360 nan 0.000 0.450 455 L N 0.408 121.537 121.223 -0.156 0.000 2.083 455 L HA -0.049 4.290 4.340 -0.000 0.000 0.209 455 L C 2.018 178.777 176.870 -0.184 0.000 1.083 455 L CA 1.996 56.751 54.840 -0.141 0.000 0.752 455 L CB -0.953 41.039 42.059 -0.110 0.000 0.899 455 L HN 0.122 nan 8.230 nan 0.000 0.433 456 A N -0.384 122.326 122.820 -0.182 0.000 1.883 456 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 456 A C 2.475 179.916 177.584 -0.238 0.000 1.186 456 A CA 2.037 53.978 52.037 -0.160 0.000 0.624 456 A CB -1.251 17.686 19.000 -0.104 0.000 0.822 456 A HN 0.561 nan 8.150 nan 0.000 0.444 457 A N -0.295 122.278 122.820 -0.412 0.000 1.940 457 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 457 A C 2.486 179.661 177.584 -0.682 0.000 1.176 457 A CA 2.264 53.914 52.037 -0.645 0.000 0.631 457 A CB -0.956 17.289 19.000 -1.258 0.000 0.814 457 A HN 1.084 nan 8.150 nan 0.000 0.446 458 A N -1.155 121.345 122.820 -0.532 0.000 1.898 458 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 458 A C 2.293 179.764 177.584 -0.189 0.000 1.181 458 A CA 1.568 53.358 52.037 -0.411 0.000 0.620 458 A CB -1.211 17.788 19.000 -0.002 0.000 0.819 458 A HN 0.595 nan 8.150 nan 0.000 0.442 459 C N -0.798 118.428 119.300 -0.124 0.000 2.425 459 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 459 C C 2.659 177.813 174.990 0.274 0.000 1.280 459 C CA 1.069 60.156 59.018 0.114 0.000 1.744 459 C CB -0.989 26.699 27.740 -0.087 0.000 1.989 459 C HN 0.624 nan 8.230 nan 0.000 0.491 460 E N 0.685 120.879 120.200 -0.009 0.000 2.077 460 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 460 E C 2.216 178.719 176.600 -0.161 0.000 0.989 460 E CA 1.240 57.601 56.400 -0.065 0.000 0.800 460 E CB -0.086 29.534 29.700 -0.134 0.000 0.746 460 E HN 0.468 nan 8.360 nan 0.000 0.452 461 V N -0.264 119.428 119.914 -0.370 0.000 2.453 461 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 461 V C 1.489 177.296 176.094 -0.478 0.000 1.048 461 V CA 1.122 63.074 62.300 -0.579 0.000 1.049 461 V CB -0.263 30.925 31.823 -1.058 0.000 0.672 461 V HN 0.369 nan 8.190 nan 0.000 0.457 462 W N -0.341 120.887 121.300 -0.121 0.000 3.123 462 W HA 0.331 4.991 4.660 -0.000 0.000 0.383 462 W C 1.852 178.233 176.519 -0.229 0.000 1.102 462 W CA -0.887 56.293 57.345 -0.275 0.000 1.865 462 W CB -0.278 28.806 29.460 -0.627 0.000 1.111 462 W HN 0.257 nan 8.180 nan 0.000 0.621 463 K N 1.254 121.678 120.400 0.040 0.000 2.044 463 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 463 K C 1.223 177.614 176.600 -0.349 0.000 1.049 463 K CA 1.661 57.785 56.287 -0.273 0.000 0.927 463 K CB 0.249 32.642 32.500 -0.179 0.000 0.713 463 K HN -0.084 nan 8.250 nan 0.000 0.443 464 E N 0.403 120.493 120.200 -0.182 0.000 2.479 464 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 464 E C -0.031 176.497 176.600 -0.119 0.000 1.049 464 E CA 0.128 56.432 56.400 -0.160 0.000 0.870 464 E CB 0.334 29.963 29.700 -0.119 0.000 0.944 464 E HN 0.239 nan 8.360 nan 0.000 0.492 465 I N 2.007 122.536 120.570 -0.069 0.000 2.337 465 I HA 0.196 4.365 4.170 -0.000 0.000 0.291 465 I C 0.335 176.449 176.117 -0.004 0.000 1.046 465 I CA -0.139 61.133 61.300 -0.046 0.000 1.324 465 I CB 0.168 38.191 38.000 0.039 0.000 1.409 465 I HN -0.257 nan 8.210 nan 0.000 0.494 466 K N 5.368 125.637 120.400 -0.217 0.000 2.443 466 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 466 K C -1.352 174.984 176.600 -0.440 0.000 0.972 466 K CA -0.531 55.669 56.287 -0.145 0.000 0.833 466 K CB 2.419 34.875 32.500 -0.074 0.000 1.317 466 K HN 0.160 nan 8.250 nan 0.000 0.441 467 F N 1.502 121.527 119.950 0.123 0.000 2.564 467 F HA 0.286 4.813 4.527 -0.000 0.000 0.368 467 F C -0.577 175.253 175.800 0.051 0.000 1.127 467 F CA -0.498 57.577 58.000 0.125 0.000 1.170 467 F CB 1.339 40.459 39.000 0.200 0.000 1.397 467 F HN 0.313 nan 8.300 nan 0.000 0.493 468 E N 3.041 123.180 120.200 -0.102 0.000 2.207 468 E HA 0.501 4.851 4.350 -0.000 0.000 0.250 468 E C -1.145 175.238 176.600 -0.361 0.000 0.890 468 E CA -0.351 55.976 56.400 -0.121 0.000 0.749 468 E CB 1.415 31.050 29.700 -0.109 0.000 1.193 468 E HN 0.269 nan 8.360 nan 0.000 0.423 469 F N 0.379 120.379 119.950 0.084 0.000 2.620 469 F HA 0.239 4.766 4.527 -0.000 0.000 0.320 469 F C 0.278 176.110 175.800 0.052 0.000 1.069 469 F CA -1.268 56.771 58.000 0.066 0.000 0.953 469 F CB 1.272 40.317 39.000 0.074 0.000 1.322 469 F HN 0.203 nan 8.300 nan 0.000 0.479 470 D N 0.726 121.276 120.400 0.251 0.000 2.417 470 D HA 0.121 4.761 4.640 -0.000 0.000 0.250 470 D C -0.481 175.899 176.300 0.134 0.000 1.166 470 D CA 0.231 54.320 54.000 0.148 0.000 0.881 470 D CB 0.723 41.592 40.800 0.115 0.000 1.164 470 D HN 0.420 nan 8.370 nan 0.000 0.467 471 T N 6.007 120.625 114.554 0.105 0.000 2.799 471 T HA 0.054 4.404 4.350 -0.000 0.000 0.296 471 T C 1.511 176.257 174.700 0.077 0.000 0.947 471 T CA -0.693 61.462 62.100 0.092 0.000 1.141 471 T CB 0.594 69.512 68.868 0.084 0.000 0.891 471 T HN 0.306 nan 8.240 nan 0.000 0.533 472 I N 1.848 122.458 120.570 0.068 0.000 2.188 472 I HA 0.000 4.170 4.170 -0.000 0.000 0.237 472 I C 1.420 177.581 176.117 0.073 0.000 1.073 472 I CA 0.875 62.210 61.300 0.058 0.000 1.359 472 I CB -0.815 37.207 38.000 0.037 0.000 1.083 472 I HN 0.575 nan 8.210 nan 0.000 0.412 473 D N 2.970 123.420 120.400 0.084 0.000 2.441 473 D HA 0.050 4.690 4.640 -0.000 0.000 0.243 473 D C 0.083 176.468 176.300 0.142 0.000 1.257 473 D CA 0.327 54.400 54.000 0.121 0.000 1.027 473 D CB -0.050 40.826 40.800 0.128 0.000 1.084 473 D HN 0.090 nan 8.370 nan 0.000 0.514 474 K N 2.178 122.650 120.400 0.120 0.000 2.132 474 K HA 0.407 4.727 4.320 -0.000 0.000 0.241 474 K C 0.522 177.191 176.600 0.115 0.000 1.000 474 K CA -0.968 55.383 56.287 0.106 0.000 0.911 474 K CB 1.329 33.874 32.500 0.075 0.000 1.093 474 K HN 0.303 nan 8.250 nan 0.000 0.460 475 L N 0.000 121.275 121.223 0.087 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.882 54.840 0.069 0.000 0.813 475 L CB 0.000 42.077 42.059 0.029 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502