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 2cdb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKAIIVKPPN AGVQVKDVDE KKLDSYGKIK IRTIYNGICG ADREIVNGKL DATA SEQUENCE XXXXXXXXKD FLVLGHEAIG VVEESYHGFS QGDLVMPVNR RGCGICRNCL DATA SEQUENCE VGRPDFCETG EFGEAGIHKM DGFMREWWYD DPKYLVKIPK SIEDIGILAQ DATA SEQUENCE PLADIEKSIE EILEVQKRVP VWTcDDGTLN cRKVLVVGTG PIGVLFTLLF DATA SEQUENCE RTYGLEVWMA NRREPTEVEQ TVIEETKTNY YNSSNGYDKL KDSVGKFDVI DATA SEQUENCE IDATGADVNI LGNVIPLLGR NGVLGLFGFS TSGSVPLDYK TLQEIVHTNK DATA SEQUENCE TIIGLVNGQK PHFQQAVVHL ASWKTLYPKA AKMLITKTVS INDEKELLKV DATA SEQUENCE LREKEHGEIK IRILWE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.499 32.600 -0.168 0.000 1.302 2 K N 3.024 123.478 120.400 0.091 0.000 2.451 2 K HA 0.623 4.943 4.320 -0.000 0.000 0.280 2 K C -1.063 175.671 176.600 0.224 0.000 1.020 2 K CA 0.558 56.941 56.287 0.161 0.000 1.008 2 K CB 0.664 33.321 32.500 0.261 0.000 0.917 2 K HN 0.640 nan 8.250 nan 0.000 0.478 3 A N 4.796 127.719 122.820 0.171 0.000 2.589 3 A HA 0.448 4.768 4.320 -0.000 0.000 0.296 3 A C -1.161 176.493 177.584 0.118 0.000 1.062 3 A CA -0.886 51.256 52.037 0.175 0.000 0.686 3 A CB 0.860 19.892 19.000 0.052 0.000 1.282 3 A HN 0.699 nan 8.150 nan 0.000 0.404 4 I N 2.979 123.644 120.570 0.157 0.000 2.304 4 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 4 I C -0.208 175.946 176.117 0.062 0.000 1.018 4 I CA -0.292 61.060 61.300 0.085 0.000 1.260 4 I CB 0.762 38.826 38.000 0.108 0.000 1.390 4 I HN 0.631 nan 8.210 nan 0.000 0.475 5 I N 5.589 126.172 120.570 0.022 0.000 2.689 5 I HA 0.851 5.020 4.170 -0.000 0.000 0.299 5 I C -0.573 175.576 176.117 0.053 0.000 1.059 5 I CA -0.863 60.467 61.300 0.050 0.000 1.055 5 I CB 2.155 40.126 38.000 -0.049 0.000 1.243 5 I HN 0.340 nan 8.210 nan 0.000 0.425 6 V N 1.930 121.903 119.914 0.097 0.000 3.141 6 V HA 0.654 4.774 4.120 -0.000 0.000 0.312 6 V C -0.604 175.549 176.094 0.099 0.000 1.157 6 V CA -0.933 61.411 62.300 0.073 0.000 1.041 6 V CB 1.975 33.830 31.823 0.053 0.000 1.071 6 V HN 0.859 nan 8.190 nan 0.000 0.441 7 K N 1.560 122.000 120.400 0.067 0.000 2.842 7 K HA 0.456 4.776 4.320 -0.000 0.000 0.176 7 K C -2.912 173.709 176.600 0.034 0.000 1.080 7 K CA -1.384 54.942 56.287 0.065 0.000 0.954 7 K CB 1.238 33.778 32.500 0.067 0.000 1.203 7 K HN 0.514 nan 8.250 nan 0.000 0.611 8 P HA 0.005 nan 4.420 nan 0.000 0.266 8 P C -1.757 175.544 177.300 0.002 0.000 1.195 8 P CA -0.802 62.305 63.100 0.010 0.000 0.768 8 P CB 0.234 31.938 31.700 0.006 0.000 0.838 9 P HA 0.100 nan 4.420 nan 0.000 0.257 9 P C -0.402 176.899 177.300 0.002 0.000 1.281 9 P CA 0.278 63.376 63.100 -0.003 0.000 0.826 9 P CB 0.236 31.929 31.700 -0.011 0.000 1.237 10 N N 1.181 119.885 118.700 0.007 0.000 2.525 10 N HA 0.318 5.058 4.740 -0.000 0.000 0.271 10 N C 0.223 175.740 175.510 0.012 0.000 1.194 10 N CA -0.111 52.944 53.050 0.009 0.000 0.964 10 N CB 0.453 38.947 38.487 0.011 0.000 1.126 10 N HN 0.070 nan 8.380 nan 0.000 0.452 11 A N 0.388 123.214 122.820 0.011 0.000 2.351 11 A HA 0.708 5.028 4.320 -0.000 0.000 0.257 11 A C 0.705 178.297 177.584 0.012 0.000 1.087 11 A CA 0.424 52.468 52.037 0.012 0.000 0.798 11 A CB -0.172 18.834 19.000 0.010 0.000 1.033 11 A HN 0.836 nan 8.150 nan 0.000 0.488 12 G N -1.540 107.268 108.800 0.014 0.000 2.402 12 G HA2 0.492 4.451 3.960 -0.000 0.000 0.666 12 G HA3 0.492 4.451 3.960 -0.000 0.000 0.666 12 G C -1.271 173.636 174.900 0.013 0.000 1.402 12 G CA -0.062 45.044 45.100 0.011 0.000 0.920 12 G HN 2.087 nan 8.290 nan 0.000 0.651 13 V N 1.255 121.173 119.914 0.006 0.000 2.932 13 V HA 0.875 4.995 4.120 -0.000 0.000 0.307 13 V C -0.952 175.136 176.094 -0.009 0.000 1.147 13 V CA -0.473 61.830 62.300 0.005 0.000 0.951 13 V CB 2.091 33.920 31.823 0.011 0.000 1.031 13 V HN 1.182 nan 8.190 nan 0.000 0.426 14 Q N 4.204 123.992 119.800 -0.019 0.000 2.389 14 Q HA 0.721 5.061 4.340 -0.000 0.000 0.277 14 Q C -1.609 174.367 176.000 -0.040 0.000 1.082 14 Q CA -0.906 54.876 55.803 -0.036 0.000 0.810 14 Q CB 2.960 31.666 28.738 -0.054 0.000 1.374 14 Q HN 0.531 nan 8.270 nan 0.000 0.422 15 V N 2.223 122.112 119.914 -0.043 0.000 2.318 15 V HA 0.446 4.566 4.120 -0.000 0.000 0.271 15 V C -0.363 175.701 176.094 -0.049 0.000 1.030 15 V CA -0.371 61.904 62.300 -0.041 0.000 0.844 15 V CB 0.085 31.872 31.823 -0.060 0.000 1.015 15 V HN 0.750 nan 8.190 nan 0.000 0.460 16 K N 1.901 122.266 120.400 -0.059 0.000 2.466 16 K HA 0.703 5.023 4.320 -0.000 0.000 0.260 16 K C -1.133 175.431 176.600 -0.059 0.000 1.011 16 K CA -1.014 55.231 56.287 -0.070 0.000 0.871 16 K CB 2.069 34.505 32.500 -0.107 0.000 1.404 16 K HN 0.355 nan 8.250 nan 0.000 0.450 17 D N 1.207 121.577 120.400 -0.049 0.000 2.312 17 D HA 0.273 4.913 4.640 -0.000 0.000 0.252 17 D C -0.698 175.557 176.300 -0.074 0.000 1.150 17 D CA -0.417 53.562 54.000 -0.034 0.000 0.870 17 D CB 1.114 41.908 40.800 -0.010 0.000 1.153 17 D HN 0.541 nan 8.370 nan 0.000 0.457 18 V N 1.322 121.192 119.914 -0.072 0.000 2.769 18 V HA 0.449 4.569 4.120 -0.000 0.000 0.312 18 V C -0.167 175.921 176.094 -0.011 0.000 1.061 18 V CA -1.199 61.050 62.300 -0.085 0.000 0.931 18 V CB 1.763 33.487 31.823 -0.165 0.000 1.010 18 V HN 0.484 nan 8.190 nan 0.000 0.433 19 D N 3.037 123.454 120.400 0.030 0.000 2.402 19 D HA 0.029 4.669 4.640 -0.000 0.000 0.268 19 D C 1.390 177.714 176.300 0.040 0.000 1.294 19 D CA 0.554 54.581 54.000 0.046 0.000 0.945 19 D CB 0.890 41.729 40.800 0.064 0.000 1.112 19 D HN 0.773 nan 8.370 nan 0.000 0.517 20 E N 3.660 123.863 120.200 0.004 0.000 2.160 20 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 20 E C 1.313 177.908 176.600 -0.009 0.000 0.991 20 E CA 0.822 57.191 56.400 -0.050 0.000 0.810 20 E CB -0.063 29.614 29.700 -0.039 0.000 0.742 20 E HN 0.585 nan 8.360 nan 0.000 0.466 21 K N 0.982 121.399 120.400 0.029 0.000 2.211 21 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 21 K C 1.966 178.569 176.600 0.005 0.000 1.047 21 K CA 0.929 57.232 56.287 0.026 0.000 0.935 21 K CB -0.039 32.480 32.500 0.031 0.000 0.728 21 K HN 0.099 nan 8.250 nan 0.000 0.452 22 K N 0.568 120.977 120.400 0.015 0.000 2.365 22 K HA 0.086 4.406 4.320 -0.000 0.000 0.197 22 K C 0.694 177.257 176.600 -0.062 0.000 1.042 22 K CA 0.256 56.538 56.287 -0.008 0.000 0.987 22 K CB 0.109 32.643 32.500 0.056 0.000 0.779 22 K HN 0.100 nan 8.250 nan 0.000 0.484 23 L N 2.093 123.287 121.223 -0.049 0.000 2.395 23 L HA 0.127 4.467 4.340 -0.000 0.000 0.269 23 L C -0.040 176.748 176.870 -0.138 0.000 1.133 23 L CA -0.682 54.104 54.840 -0.091 0.000 0.812 23 L CB 0.432 42.436 42.059 -0.092 0.000 1.125 23 L HN -0.041 nan 8.230 nan 0.000 0.452 24 D N 1.201 121.485 120.400 -0.194 0.000 2.390 24 D HA 0.131 4.771 4.640 -0.000 0.000 0.249 24 D C -0.028 175.950 176.300 -0.537 0.000 1.144 24 D CA 0.234 54.043 54.000 -0.318 0.000 0.880 24 D CB 1.455 42.093 40.800 -0.270 0.000 1.182 24 D HN 0.403 nan 8.370 nan 0.000 0.451 25 S N 1.804 117.231 115.700 -0.456 0.000 2.501 25 S HA 0.375 4.845 4.470 -0.000 0.000 0.301 25 S C -0.414 173.937 174.600 -0.415 0.000 1.096 25 S CA -0.600 57.396 58.200 -0.340 0.000 1.063 25 S CB 0.488 63.653 63.200 -0.058 0.000 1.042 25 S HN 0.337 nan 8.310 nan 0.000 0.494 26 Y N 2.759 123.199 120.300 0.234 0.000 2.500 26 Y HA 0.516 5.066 4.550 0.000 0.000 0.246 26 Y C 1.290 177.296 175.900 0.177 0.000 1.146 26 Y CA 0.013 58.226 58.100 0.189 0.000 1.230 26 Y CB 0.623 39.211 38.460 0.212 0.000 1.214 26 Y HN 0.889 nan 8.280 nan 0.000 0.526 27 G N -0.242 108.700 108.800 0.237 0.000 2.364 27 G HA2 0.199 4.159 3.960 -0.000 0.000 0.286 27 G HA3 0.199 4.159 3.960 -0.000 0.000 0.286 27 G C -0.192 174.733 174.900 0.042 0.000 1.241 27 G CA -0.738 44.441 45.100 0.131 0.000 0.887 27 G HN -0.088 nan 8.290 nan 0.000 0.484 28 K N -0.722 119.646 120.400 -0.054 0.000 2.352 28 K HA 0.354 4.674 4.320 -0.000 0.000 0.194 28 K C 0.513 177.021 176.600 -0.153 0.000 1.038 28 K CA 0.151 56.365 56.287 -0.122 0.000 1.023 28 K CB 0.566 32.993 32.500 -0.122 0.000 0.840 28 K HN 0.306 nan 8.250 nan 0.000 0.519 29 I N 2.534 122.938 120.570 -0.276 0.000 2.337 29 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 29 I C 0.069 176.034 176.117 -0.252 0.000 1.046 29 I CA -0.419 60.661 61.300 -0.368 0.000 1.324 29 I CB 0.732 38.406 38.000 -0.543 0.000 1.409 29 I HN -0.055 nan 8.210 nan 0.000 0.494 30 K N 7.573 127.791 120.400 -0.303 0.000 2.312 30 K HA 0.478 4.798 4.320 -0.000 0.000 0.287 30 K C -0.936 175.314 176.600 -0.582 0.000 1.062 30 K CA -0.238 55.673 56.287 -0.628 0.000 0.934 30 K CB 0.547 32.643 32.500 -0.674 0.000 1.027 30 K HN 0.518 nan 8.250 nan 0.000 0.478 31 I N 4.547 124.681 120.570 -0.726 0.000 2.418 31 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 31 I C -0.239 175.538 176.117 -0.566 0.000 1.008 31 I CA -0.798 60.036 61.300 -0.777 0.000 1.104 31 I CB 1.833 39.002 38.000 -1.385 0.000 1.264 31 I HN 0.500 nan 8.210 nan 0.000 0.438 32 R N 4.551 124.845 120.500 -0.343 0.000 2.221 32 R HA 0.393 4.733 4.340 -0.000 0.000 0.327 32 R C -0.573 175.647 176.300 -0.133 0.000 1.033 32 R CA -0.318 55.687 56.100 -0.159 0.000 0.887 32 R CB 0.868 31.086 30.300 -0.136 0.000 1.057 32 R HN 0.600 nan 8.270 nan 0.000 0.455 33 T N 5.510 120.003 114.554 -0.102 0.000 2.902 33 T HA 0.054 4.404 4.350 -0.000 0.000 0.301 33 T C 1.063 175.671 174.700 -0.153 0.000 1.012 33 T CA 0.007 62.028 62.100 -0.132 0.000 1.151 33 T CB 0.860 69.443 68.868 -0.475 0.000 0.946 33 T HN 0.705 nan 8.240 nan 0.000 0.542 34 I N 1.584 122.097 120.570 -0.094 0.000 3.443 34 I HA 0.280 4.450 4.170 -0.000 0.000 0.277 34 I C -0.804 175.122 176.117 -0.319 0.000 1.169 34 I CA 0.006 61.155 61.300 -0.252 0.000 1.419 34 I CB 0.659 38.397 38.000 -0.436 0.000 1.331 34 I HN 0.524 nan 8.210 nan 0.000 0.458 35 Y N 0.653 121.106 120.300 0.255 0.000 2.499 35 Y HA 0.482 5.032 4.550 -0.000 0.000 0.347 35 Y C -0.630 175.430 175.900 0.266 0.000 0.987 35 Y CA -0.992 57.273 58.100 0.276 0.000 1.044 35 Y CB 1.136 39.699 38.460 0.171 0.000 1.245 35 Y HN -0.030 nan 8.280 nan 0.000 0.461 36 N N -0.325 118.647 118.700 0.455 0.000 2.402 36 N HA 0.738 5.478 4.740 -0.000 0.000 0.294 36 N C -0.669 174.962 175.510 0.201 0.000 1.203 36 N CA -0.958 52.271 53.050 0.298 0.000 0.838 36 N CB 1.860 40.535 38.487 0.315 0.000 1.306 36 N HN 0.823 nan 8.380 nan 0.000 0.510 37 G N 0.037 108.901 108.800 0.107 0.000 2.432 37 G HA2 0.697 4.657 3.960 -0.000 0.000 0.331 37 G HA3 0.697 4.657 3.960 -0.000 0.000 0.331 37 G C -0.867 174.036 174.900 0.004 0.000 1.170 37 G CA -0.457 44.675 45.100 0.055 0.000 0.943 37 G HN 0.417 nan 8.290 nan 0.000 0.483 38 I N 0.447 121.030 120.570 0.021 0.000 2.441 38 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 38 I C 0.445 176.587 176.117 0.043 0.000 0.994 38 I CA -0.725 60.585 61.300 0.017 0.000 1.144 38 I CB 1.841 39.862 38.000 0.035 0.000 1.314 38 I HN 0.749 nan 8.210 nan 0.000 0.445 39 C N 1.735 121.079 119.300 0.073 0.000 3.307 39 C HA 0.707 5.167 4.460 -0.000 0.000 0.350 39 C C 1.699 176.769 174.990 0.133 0.000 1.549 39 C CA -0.013 59.079 59.018 0.123 0.000 1.396 39 C CB 0.874 28.725 27.740 0.185 0.000 1.970 39 C HN 0.933 nan 8.230 nan 0.000 0.441 40 G N 0.447 109.329 108.800 0.137 0.000 2.469 40 G HA2 0.013 3.973 3.960 -0.000 0.000 0.220 40 G HA3 0.013 3.973 3.960 -0.000 0.000 0.220 40 G C 1.606 176.579 174.900 0.122 0.000 1.136 40 G CA 1.616 46.790 45.100 0.123 0.000 0.759 40 G HN 1.571 nan 8.290 nan 0.000 0.562 41 A N 0.996 123.907 122.820 0.150 0.000 1.933 41 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 41 A C 2.096 179.756 177.584 0.126 0.000 1.175 41 A CA 1.994 54.103 52.037 0.119 0.000 0.628 41 A CB -0.341 18.716 19.000 0.095 0.000 0.814 41 A HN 0.311 nan 8.150 nan 0.000 0.444 42 D N -0.377 120.125 120.400 0.169 0.000 2.097 42 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 42 D C 2.124 178.470 176.300 0.078 0.000 0.989 42 D CA 1.336 55.407 54.000 0.118 0.000 0.827 42 D CB -0.272 40.583 40.800 0.093 0.000 0.966 42 D HN 0.245 nan 8.370 nan 0.000 0.456 43 R N 0.975 121.520 120.500 0.075 0.000 2.096 43 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 43 R C 2.219 178.549 176.300 0.049 0.000 1.127 43 R CA 0.907 57.042 56.100 0.057 0.000 0.968 43 R CB -0.252 30.084 30.300 0.059 0.000 0.861 43 R HN 0.340 nan 8.270 nan 0.000 0.440 44 E N -0.206 120.026 120.200 0.053 0.000 2.051 44 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 44 E C 1.908 178.525 176.600 0.029 0.000 0.991 44 E CA 1.450 57.872 56.400 0.037 0.000 0.799 44 E CB -0.178 29.540 29.700 0.031 0.000 0.748 44 E HN 0.281 nan 8.360 nan 0.000 0.449 45 I N 0.557 121.147 120.570 0.033 0.000 2.252 45 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 45 I C 2.330 178.464 176.117 0.028 0.000 1.102 45 I CA 0.648 61.964 61.300 0.028 0.000 1.385 45 I CB -0.159 37.862 38.000 0.035 0.000 1.064 45 I HN -0.024 nan 8.210 nan 0.000 0.414 46 V N 1.056 120.990 119.914 0.034 0.000 2.392 46 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 46 V C 1.555 177.663 176.094 0.023 0.000 1.059 46 V CA 2.248 64.565 62.300 0.029 0.000 1.051 46 V CB -0.872 30.969 31.823 0.030 0.000 0.658 46 V HN 0.483 nan 8.190 nan 0.000 0.455 47 N N -0.360 118.354 118.700 0.024 0.000 2.336 47 N HA 0.258 4.998 4.740 -0.000 0.000 0.189 47 N C 1.060 176.579 175.510 0.016 0.000 1.113 47 N CA 0.683 53.745 53.050 0.020 0.000 0.858 47 N CB 0.596 39.097 38.487 0.023 0.000 0.970 47 N HN 0.518 nan 8.380 nan 0.000 0.471 48 G N 1.058 109.867 108.800 0.015 0.000 2.225 48 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.264 48 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.264 48 G C 0.615 175.519 174.900 0.005 0.000 1.060 48 G CA 0.291 45.397 45.100 0.009 0.000 0.833 48 G HN 0.379 nan 8.290 nan 0.000 0.498 49 K N -1.255 119.149 120.400 0.006 0.000 2.355 49 K HA 0.421 4.741 4.320 -0.000 0.000 0.198 49 K C 1.225 177.819 176.600 -0.010 0.000 1.039 49 K CA -0.036 56.252 56.287 0.001 0.000 1.075 49 K CB 0.744 33.250 32.500 0.010 0.000 0.870 49 K HN 0.426 nan 8.250 nan 0.000 0.540 60 D N 0.881 121.226 120.400 -0.091 0.000 2.323 60 D HA 0.066 4.706 4.640 -0.000 0.000 0.209 60 D C 0.503 176.891 176.300 0.147 0.000 0.973 60 D CA 1.031 55.069 54.000 0.065 0.000 0.874 60 D CB 0.206 41.110 40.800 0.172 0.000 0.930 60 D HN 0.359 nan 8.370 nan 0.000 0.521 61 F N -0.795 119.143 119.950 -0.020 0.000 2.711 61 F HA 0.568 5.095 4.527 -0.000 0.000 0.313 61 F C -1.807 173.976 175.800 -0.028 0.000 1.141 61 F CA -1.628 56.360 58.000 -0.021 0.000 0.941 61 F CB 1.153 40.141 39.000 -0.020 0.000 1.349 61 F HN -0.313 nan 8.300 nan 0.000 0.464 62 L N 2.291 123.609 121.223 0.159 0.000 2.385 62 L HA 0.763 5.103 4.340 -0.000 0.000 0.273 62 L C -1.290 175.686 176.870 0.176 0.000 0.990 62 L CA -0.842 54.023 54.840 0.041 0.000 0.821 62 L CB 2.085 44.143 42.059 -0.002 0.000 1.279 62 L HN 0.653 nan 8.230 nan 0.000 0.412 63 V N 5.551 125.530 119.914 0.107 0.000 2.479 63 V HA 0.126 4.246 4.120 -0.000 0.000 0.281 63 V C 0.547 176.635 176.094 -0.010 0.000 1.031 63 V CA -0.266 62.082 62.300 0.080 0.000 1.038 63 V CB 0.800 32.634 31.823 0.017 0.000 0.981 63 V HN 0.688 nan 8.190 nan 0.000 0.478 64 L N 4.860 126.097 121.223 0.024 0.000 2.464 64 L HA 0.741 5.081 4.340 -0.000 0.000 0.264 64 L C 0.618 177.474 176.870 -0.022 0.000 1.199 64 L CA 1.466 56.314 54.840 0.013 0.000 0.818 64 L CB 0.766 42.852 42.059 0.044 0.000 1.102 64 L HN 1.033 nan 8.230 nan 0.000 0.473 65 G N 2.293 111.086 108.800 -0.011 0.000 3.067 65 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 65 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 65 G C -0.304 174.570 174.900 -0.044 0.000 1.119 65 G CA -0.023 45.048 45.100 -0.049 0.000 0.790 65 G HN 1.367 nan 8.290 nan 0.000 0.605 66 H N -0.091 119.038 119.070 0.099 0.000 3.230 66 H HA 0.321 4.877 4.556 -0.000 0.000 0.259 66 H C -0.036 175.459 175.328 0.279 0.000 1.195 66 H CA 0.305 56.473 56.048 0.199 0.000 1.112 66 H CB 1.063 30.880 29.762 0.091 0.000 1.638 66 H HN 0.559 nan 8.280 nan 0.000 0.624 67 E N 1.663 121.823 120.200 -0.067 0.000 2.145 67 E HA 0.692 5.042 4.350 -0.000 0.000 0.262 67 E C -1.022 175.631 176.600 0.088 0.000 0.883 67 E CA -0.780 55.646 56.400 0.043 0.000 0.748 67 E CB 2.189 31.864 29.700 -0.041 0.000 1.140 67 E HN 0.448 nan 8.360 nan 0.000 0.417 68 A N 3.728 126.600 122.820 0.087 0.000 2.520 68 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 68 A C -1.158 176.520 177.584 0.156 0.000 1.051 68 A CA -0.595 51.496 52.037 0.089 0.000 0.690 68 A CB 1.073 20.008 19.000 -0.108 0.000 1.281 68 A HN 0.589 nan 8.150 nan 0.000 0.402 69 I N 1.658 122.375 120.570 0.244 0.000 2.436 69 I HA 0.610 4.779 4.170 -0.000 0.000 0.289 69 I C 0.623 176.876 176.117 0.227 0.000 1.010 69 I CA -0.296 61.158 61.300 0.257 0.000 1.098 69 I CB 2.311 40.513 38.000 0.337 0.000 1.266 69 I HN 0.814 nan 8.210 nan 0.000 0.434 70 G N 4.789 113.688 108.800 0.164 0.000 2.714 70 G HA2 0.732 4.692 3.960 -0.000 0.000 0.292 70 G HA3 0.732 4.692 3.960 -0.000 0.000 0.292 70 G C -1.372 173.492 174.900 -0.059 0.000 1.308 70 G CA -0.524 44.584 45.100 0.013 0.000 0.964 70 G HN 0.290 nan 8.290 nan 0.000 0.484 71 V N 0.305 120.144 119.914 -0.124 0.000 2.459 71 V HA 0.361 4.481 4.120 -0.000 0.000 0.295 71 V C 0.213 176.207 176.094 -0.166 0.000 1.029 71 V CA -0.809 61.431 62.300 -0.100 0.000 0.874 71 V CB 1.554 33.334 31.823 -0.072 0.000 0.985 71 V HN 0.530 nan 8.190 nan 0.000 0.438 72 V N 3.655 123.497 119.914 -0.121 0.000 2.485 72 V HA 0.055 4.175 4.120 -0.000 0.000 0.287 72 V C 1.364 177.382 176.094 -0.126 0.000 1.022 72 V CA 0.307 62.521 62.300 -0.143 0.000 1.067 72 V CB 0.803 32.602 31.823 -0.041 0.000 0.967 72 V HN 1.060 nan 8.190 nan 0.000 0.479 73 E N 3.340 123.429 120.200 -0.186 0.000 2.152 73 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 73 E C 0.658 177.194 176.600 -0.106 0.000 0.983 73 E CA 1.000 57.295 56.400 -0.175 0.000 0.818 73 E CB 0.380 29.915 29.700 -0.274 0.000 0.758 73 E HN 0.773 nan 8.360 nan 0.000 0.467 74 E N -0.779 119.380 120.200 -0.068 0.000 2.393 74 E HA 0.293 4.643 4.350 -0.000 0.000 0.273 74 E C -1.125 175.510 176.600 0.058 0.000 0.918 74 E CA -0.627 55.770 56.400 -0.006 0.000 0.773 74 E CB 1.997 31.702 29.700 0.009 0.000 1.275 74 E HN -0.173 nan 8.360 nan 0.000 0.451 75 S N 1.435 117.176 115.700 0.067 0.000 2.455 75 S HA 0.212 4.682 4.470 -0.000 0.000 0.278 75 S C -0.552 174.146 174.600 0.163 0.000 1.216 75 S CA -0.129 58.130 58.200 0.098 0.000 1.055 75 S CB -0.210 63.015 63.200 0.041 0.000 0.939 75 S HN 0.345 nan 8.310 nan 0.000 0.494 76 Y N 1.625 121.976 120.300 0.086 0.000 2.654 76 Y HA 0.348 4.898 4.550 -0.000 0.000 0.327 76 Y C 0.530 176.527 175.900 0.161 0.000 1.122 76 Y CA -1.229 56.944 58.100 0.122 0.000 1.227 76 Y CB 0.815 39.353 38.460 0.132 0.000 1.370 76 Y HN 0.650 nan 8.280 nan 0.000 0.528 77 H N 1.013 119.923 119.070 -0.266 0.000 3.226 77 H HA 0.222 4.778 4.556 -0.000 0.000 0.260 77 H C 0.904 176.340 175.328 0.179 0.000 0.967 77 H CA 1.646 57.644 56.048 -0.085 0.000 1.435 77 H CB -0.338 29.307 29.762 -0.196 0.000 1.533 77 H HN 0.853 nan 8.280 nan 0.000 0.525 78 G N 3.738 112.575 108.800 0.062 0.000 2.199 78 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 78 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 78 G C -0.157 174.523 174.900 -0.366 0.000 0.982 78 G CA 0.108 45.143 45.100 -0.108 0.000 0.632 78 G HN 0.529 nan 8.290 nan 0.000 0.529 79 F N 1.763 121.764 119.950 0.086 0.000 2.536 79 F HA 0.648 5.175 4.527 -0.000 0.000 0.322 79 F C 0.402 176.227 175.800 0.041 0.000 1.144 79 F CA -0.713 57.325 58.000 0.064 0.000 0.924 79 F CB 2.317 41.365 39.000 0.080 0.000 1.181 79 F HN 0.019 nan 8.300 nan 0.000 0.438 80 S N 2.018 117.800 115.700 0.138 0.000 2.585 80 S HA 0.211 4.681 4.470 -0.000 0.000 0.277 80 S C -0.331 174.314 174.600 0.075 0.000 1.241 80 S CA -0.781 57.465 58.200 0.076 0.000 1.041 80 S CB 1.314 64.528 63.200 0.024 0.000 0.987 80 S HN 0.662 nan 8.310 nan 0.000 0.512 81 Q N 0.632 120.458 119.800 0.043 0.000 2.283 81 Q HA 0.248 4.588 4.340 -0.000 0.000 0.301 81 Q C 1.154 177.160 176.000 0.011 0.000 1.063 81 Q CA 1.195 57.007 55.803 0.016 0.000 0.952 81 Q CB -0.177 28.561 28.738 -0.001 0.000 1.166 81 Q HN 1.083 nan 8.270 nan 0.000 0.381 82 G N 3.468 112.268 108.800 -0.000 0.000 2.195 82 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 82 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 82 G C -0.413 174.500 174.900 0.023 0.000 0.984 82 G CA 0.035 45.137 45.100 0.003 0.000 0.633 82 G HN 0.704 nan 8.290 nan 0.000 0.525 83 D N 0.737 121.163 120.400 0.044 0.000 2.414 83 D HA 0.448 5.088 4.640 -0.000 0.000 0.242 83 D C 1.104 177.445 176.300 0.069 0.000 1.129 83 D CA 0.158 54.203 54.000 0.074 0.000 0.885 83 D CB 0.707 41.589 40.800 0.136 0.000 1.198 83 D HN 0.346 nan 8.370 nan 0.000 0.437 84 L N 1.994 123.266 121.223 0.082 0.000 2.312 84 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 84 L C 0.148 177.084 176.870 0.111 0.000 1.070 84 L CA -0.816 54.077 54.840 0.088 0.000 0.805 84 L CB 1.071 43.195 42.059 0.109 0.000 1.174 84 L HN 0.142 nan 8.230 nan 0.000 0.434 85 V N 1.405 121.374 119.914 0.091 0.000 3.078 85 V HA 0.669 4.789 4.120 -0.000 0.000 0.311 85 V C -0.666 175.499 176.094 0.117 0.000 1.138 85 V CA -0.874 61.489 62.300 0.104 0.000 1.007 85 V CB 2.146 33.988 31.823 0.031 0.000 1.045 85 V HN 0.865 nan 8.190 nan 0.000 0.432 86 M N 4.533 124.209 119.600 0.126 0.000 2.259 86 M HA 0.679 5.159 4.480 -0.000 0.000 0.304 86 M C -2.983 173.341 176.300 0.040 0.000 1.019 86 M CA -1.893 53.484 55.300 0.130 0.000 0.922 86 M CB 2.876 35.603 32.600 0.211 0.000 1.600 86 M HN 0.619 nan 8.290 nan 0.000 0.433 87 P HA 0.168 nan 4.420 nan 0.000 0.279 87 P C -0.846 176.320 177.300 -0.222 0.000 1.239 87 P CA -0.317 62.666 63.100 -0.195 0.000 0.789 87 P CB 1.118 32.420 31.700 -0.663 0.000 0.933 88 V N 4.461 124.199 119.914 -0.293 0.000 2.572 88 V HA -0.011 4.109 4.120 -0.000 0.000 0.291 88 V C 2.046 178.095 176.094 -0.076 0.000 1.039 88 V CA 0.022 62.062 62.300 -0.434 0.000 1.055 88 V CB 0.108 31.697 31.823 -0.390 0.000 0.969 88 V HN 0.680 nan 8.190 nan 0.000 0.482 89 N N 5.065 123.837 118.700 0.121 0.000 2.290 89 N HA -0.072 4.668 4.740 -0.000 0.000 0.179 89 N C 0.952 176.460 175.510 -0.003 0.000 1.016 89 N CA 0.288 53.437 53.050 0.165 0.000 0.871 89 N CB 0.341 38.998 38.487 0.284 0.000 0.987 89 N HN 0.618 nan 8.380 nan 0.000 0.431 90 R N 0.851 121.346 120.500 -0.008 0.000 2.265 90 R HA 0.292 4.632 4.340 -0.000 0.000 0.319 90 R C -0.657 175.598 176.300 -0.074 0.000 1.006 90 R CA -0.456 55.610 56.100 -0.056 0.000 0.880 90 R CB 0.917 31.156 30.300 -0.102 0.000 1.077 90 R HN 0.079 nan 8.270 nan 0.000 0.454 91 R N 2.297 122.750 120.500 -0.078 0.000 2.807 91 R HA 0.360 4.700 4.340 -0.000 0.000 0.276 91 R C -0.056 176.274 176.300 0.051 0.000 0.979 91 R CA -0.924 55.109 56.100 -0.111 0.000 0.928 91 R CB 2.024 32.096 30.300 -0.379 0.000 1.191 91 R HN 0.786 nan 8.270 nan 0.000 0.471 92 G N -0.223 108.638 108.800 0.102 0.000 2.651 92 G HA2 0.142 4.102 3.960 -0.000 0.000 0.260 92 G HA3 0.142 4.102 3.960 -0.000 0.000 0.260 92 G C 0.918 175.909 174.900 0.151 0.000 1.216 92 G CA -0.461 44.730 45.100 0.153 0.000 0.913 92 G HN 0.854 nan 8.290 nan 0.000 0.535 93 C N -1.982 117.413 119.300 0.159 0.000 2.696 93 C HA 0.506 4.966 4.460 -0.000 0.000 0.264 93 C C 2.120 177.163 174.990 0.089 0.000 1.288 93 C CA 0.290 59.379 59.018 0.120 0.000 1.717 93 C CB -0.808 27.005 27.740 0.123 0.000 1.893 93 C HN 1.908 nan 8.230 nan 0.000 0.577 94 G N 1.327 110.184 108.800 0.096 0.000 2.175 94 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.265 94 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.265 94 G C 0.444 175.383 174.900 0.064 0.000 0.979 94 G CA 0.914 46.062 45.100 0.080 0.000 0.663 94 G HN 0.533 nan 8.290 nan 0.000 0.533 95 I N 0.044 120.654 120.570 0.066 0.000 3.366 95 I HA 0.194 4.364 4.170 -0.000 0.000 0.267 95 I C 2.229 178.380 176.117 0.056 0.000 1.149 95 I CA 0.737 62.069 61.300 0.053 0.000 1.436 95 I CB -1.101 36.927 38.000 0.046 0.000 1.379 95 I HN 0.550 nan 8.210 nan 0.000 0.460 96 C N 1.845 121.186 119.300 0.069 0.000 2.520 96 C HA 0.391 4.850 4.460 -0.000 0.000 0.376 96 C C 2.073 177.103 174.990 0.066 0.000 1.268 96 C CA -0.509 58.550 59.018 0.068 0.000 2.414 96 C CB 1.393 29.184 27.740 0.085 0.000 2.521 96 C HN 0.377 nan 8.230 nan 0.000 0.618 97 R N 0.837 121.371 120.500 0.056 0.000 2.115 97 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 97 R C 2.116 178.448 176.300 0.053 0.000 1.111 97 R CA 1.573 57.701 56.100 0.046 0.000 0.976 97 R CB -0.222 30.097 30.300 0.032 0.000 0.870 97 R HN 0.750 nan 8.270 nan 0.000 0.445 98 N N 0.267 119.010 118.700 0.072 0.000 2.142 98 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 98 N C 1.781 177.352 175.510 0.103 0.000 1.023 98 N CA 1.219 54.324 53.050 0.091 0.000 0.852 98 N CB -0.220 38.350 38.487 0.139 0.000 0.998 98 N HN 0.239 nan 8.380 nan 0.000 0.424 99 C N 1.067 120.431 119.300 0.108 0.000 2.425 99 C HA 0.006 4.466 4.460 -0.000 0.000 0.277 99 C C 2.792 177.836 174.990 0.091 0.000 1.280 99 C CA 0.223 59.306 59.018 0.110 0.000 1.744 99 C CB -1.168 26.644 27.740 0.121 0.000 1.989 99 C HN 0.409 nan 8.230 nan 0.000 0.491 100 L N 1.069 122.336 121.223 0.073 0.000 2.275 100 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 100 L C 2.064 178.960 176.870 0.044 0.000 1.119 100 L CA 1.071 55.945 54.840 0.056 0.000 0.790 100 L CB -0.387 41.700 42.059 0.046 0.000 0.919 100 L HN 0.423 nan 8.230 nan 0.000 0.443 101 V N -3.567 116.374 119.914 0.045 0.000 3.421 101 V HA 0.480 4.600 4.120 -0.000 0.000 0.316 101 V C 1.143 177.261 176.094 0.039 0.000 1.347 101 V CA 0.276 62.596 62.300 0.032 0.000 1.183 101 V CB -0.403 31.433 31.823 0.022 0.000 1.092 101 V HN 0.431 nan 8.190 nan 0.000 0.433 102 G N 1.258 110.092 108.800 0.057 0.000 2.137 102 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.237 102 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.237 102 G C 0.174 175.131 174.900 0.095 0.000 1.002 102 G CA 0.171 45.310 45.100 0.065 0.000 0.702 102 G HN 0.508 nan 8.290 nan 0.000 0.515 103 R N -0.247 120.322 120.500 0.115 0.000 2.738 103 R HA 0.260 4.600 4.340 -0.000 0.000 0.280 103 R C -1.861 174.538 176.300 0.166 0.000 1.456 103 R CA -1.266 54.933 56.100 0.165 0.000 1.612 103 R CB 1.116 31.530 30.300 0.190 0.000 1.286 103 R HN 0.279 nan 8.270 nan 0.000 0.660 104 P HA -0.114 nan 4.420 nan 0.000 0.234 104 P C 0.421 177.643 177.300 -0.130 0.000 1.167 104 P CA 0.758 63.871 63.100 0.022 0.000 0.763 104 P CB 0.288 31.995 31.700 0.012 0.000 0.835 105 D N -0.509 119.853 120.400 -0.064 0.000 2.263 105 D HA -0.177 4.463 4.640 -0.000 0.000 0.208 105 D C 0.868 176.952 176.300 -0.361 0.000 0.971 105 D CA 0.875 54.740 54.000 -0.225 0.000 0.867 105 D CB -1.022 39.696 40.800 -0.136 0.000 0.929 105 D HN 0.246 nan 8.370 nan 0.000 0.492 106 F N 0.502 120.432 119.950 -0.033 0.000 2.698 106 F HA 0.200 4.727 4.527 -0.000 0.000 0.304 106 F C 0.751 176.567 175.800 0.027 0.000 1.108 106 F CA -1.112 56.891 58.000 0.005 0.000 1.263 106 F CB 0.261 39.277 39.000 0.028 0.000 1.013 106 F HN -0.070 nan 8.300 nan 0.000 0.532 107 C N 1.718 121.097 119.300 0.131 0.000 2.465 107 C HA -0.073 4.387 4.460 -0.000 0.000 0.402 107 C C 1.763 176.864 174.990 0.185 0.000 1.448 107 C CA 0.482 59.604 59.018 0.173 0.000 1.589 107 C CB -0.264 27.626 27.740 0.249 0.000 2.535 107 C HN 0.685 nan 8.230 nan 0.000 0.600 108 E N 1.547 121.842 120.200 0.157 0.000 2.474 108 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 108 E C 1.844 178.508 176.600 0.106 0.000 1.041 108 E CA 1.093 57.568 56.400 0.125 0.000 0.874 108 E CB 0.285 30.044 29.700 0.099 0.000 0.914 108 E HN 0.985 nan 8.360 nan 0.000 0.498 109 T N -3.996 110.629 114.554 0.119 0.000 2.990 109 T HA 0.223 4.573 4.350 -0.000 0.000 0.249 109 T C 1.681 176.412 174.700 0.053 0.000 1.039 109 T CA 0.449 62.594 62.100 0.074 0.000 1.036 109 T CB 0.617 69.521 68.868 0.060 0.000 0.994 109 T HN 0.159 nan 8.240 nan 0.000 0.489 110 G N 1.803 110.677 108.800 0.122 0.000 2.148 110 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 110 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 110 G C 0.402 175.125 174.900 -0.297 0.000 0.981 110 G CA 0.325 45.435 45.100 0.016 0.000 0.670 110 G HN 0.543 nan 8.290 nan 0.000 0.528 111 E N 0.002 120.133 120.200 -0.116 0.000 2.370 111 E HA 0.259 4.609 4.350 -0.000 0.000 0.194 111 E C 0.995 177.548 176.600 -0.078 0.000 1.057 111 E CA -0.409 55.898 56.400 -0.155 0.000 1.011 111 E CB -0.427 29.239 29.700 -0.056 0.000 1.132 111 E HN 0.695 nan 8.360 nan 0.000 0.450 112 F N -0.376 119.605 119.950 0.052 0.000 2.440 112 F HA 0.601 5.128 4.527 -0.000 0.000 0.323 112 F C 0.990 176.852 175.800 0.103 0.000 1.192 112 F CA -1.086 56.951 58.000 0.061 0.000 1.252 112 F CB 0.351 39.386 39.000 0.058 0.000 1.214 112 F HN -0.154 nan 8.300 nan 0.000 0.578 113 G N -0.049 108.907 108.800 0.261 0.000 2.417 113 G HA2 0.543 4.503 3.960 -0.000 0.000 0.334 113 G HA3 0.543 4.503 3.960 -0.000 0.000 0.334 113 G C -1.629 173.280 174.900 0.016 0.000 1.150 113 G CA -0.873 44.284 45.100 0.096 0.000 0.923 113 G HN 0.723 nan 8.290 nan 0.000 0.485 114 E N 0.409 120.405 120.200 -0.340 0.000 2.255 114 E HA 0.439 4.789 4.350 -0.000 0.000 0.256 114 E C -0.075 176.335 176.600 -0.318 0.000 0.887 114 E CA -0.705 55.492 56.400 -0.338 0.000 0.782 114 E CB 2.029 31.460 29.700 -0.449 0.000 1.214 114 E HN 0.706 nan 8.360 nan 0.000 0.417 115 A N 1.940 124.607 122.820 -0.256 0.000 2.580 115 A HA 0.288 4.608 4.320 -0.000 0.000 0.244 115 A C 1.371 178.802 177.584 -0.255 0.000 1.045 115 A CA 1.238 53.060 52.037 -0.358 0.000 0.761 115 A CB -0.466 18.236 19.000 -0.497 0.000 0.962 115 A HN 0.962 nan 8.150 nan 0.000 0.512 116 G N 1.356 109.996 108.800 -0.267 0.000 2.168 116 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.263 116 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.263 116 G C 0.492 175.360 174.900 -0.054 0.000 0.977 116 G CA 0.662 45.682 45.100 -0.134 0.000 0.659 116 G HN 0.796 nan 8.290 nan 0.000 0.533 117 I N -0.712 119.789 120.570 -0.115 0.000 3.814 117 I HA 0.260 4.430 4.170 -0.000 0.000 0.264 117 I C 0.822 176.910 176.117 -0.047 0.000 1.145 117 I CA 1.528 62.772 61.300 -0.094 0.000 1.375 117 I CB -0.307 37.592 38.000 -0.168 0.000 1.638 117 I HN 0.562 nan 8.210 nan 0.000 0.432 118 H N 0.421 119.448 119.070 -0.071 0.000 3.029 118 H HA 0.403 4.959 4.556 -0.000 0.000 0.358 118 H C -0.216 175.056 175.328 -0.093 0.000 1.129 118 H CA -0.432 55.563 56.048 -0.088 0.000 1.230 118 H CB 2.715 32.412 29.762 -0.108 0.000 1.827 118 H HN 0.031 nan 8.280 nan 0.000 0.530 119 K N 0.460 120.897 120.400 0.062 0.000 3.575 119 K HA -0.165 4.155 4.320 -0.000 0.000 0.272 119 K C -0.392 176.195 176.600 -0.022 0.000 1.019 119 K CA 1.830 58.127 56.287 0.018 0.000 1.123 119 K CB -0.589 31.948 32.500 0.061 0.000 1.364 119 K HN 0.684 nan 8.250 nan 0.000 0.482 120 M N 1.623 121.184 119.600 -0.065 0.000 2.213 120 M HA 0.196 4.676 4.480 -0.000 0.000 0.286 120 M C -1.167 175.068 176.300 -0.109 0.000 1.008 120 M CA -0.709 54.553 55.300 -0.063 0.000 0.937 120 M CB 1.902 34.392 32.600 -0.185 0.000 1.600 120 M HN -0.055 nan 8.290 nan 0.000 0.450 121 D N 2.457 122.824 120.400 -0.055 0.000 2.488 121 D HA 0.125 4.765 4.640 -0.000 0.000 0.238 121 D C 0.504 176.592 176.300 -0.354 0.000 1.138 121 D CA 0.749 54.663 54.000 -0.145 0.000 0.873 121 D CB 1.090 41.819 40.800 -0.118 0.000 1.183 121 D HN 0.772 nan 8.370 nan 0.000 0.458 122 G N 0.513 109.057 108.800 -0.428 0.000 2.489 122 G HA2 0.230 4.190 3.960 -0.000 0.000 0.271 122 G HA3 0.230 4.190 3.960 -0.000 0.000 0.271 122 G C 0.036 174.396 174.900 -0.900 0.000 1.427 122 G CA -0.305 44.331 45.100 -0.774 0.000 1.057 122 G HN 0.439 nan 8.290 nan 0.000 0.532 123 F N -1.215 118.570 119.950 -0.275 0.000 2.729 123 F HA 0.386 4.913 4.527 -0.000 0.000 0.315 123 F C 1.416 177.070 175.800 -0.244 0.000 1.102 123 F CA -0.292 57.422 58.000 -0.476 0.000 1.204 123 F CB 0.258 38.806 39.000 -0.754 0.000 1.052 123 F HN 0.007 nan 8.300 nan 0.000 0.551 124 M N 3.039 122.664 119.600 0.042 0.000 3.596 124 M HA 0.218 4.698 4.480 -0.000 0.000 0.219 124 M C -0.019 176.404 176.300 0.204 0.000 1.471 124 M CA 0.475 55.918 55.300 0.238 0.000 1.644 124 M CB -0.559 32.200 32.600 0.265 0.000 1.083 124 M HN 0.116 nan 8.290 nan 0.000 0.579 125 R N -1.559 118.849 120.500 -0.154 0.000 2.764 125 R HA 0.446 4.786 4.340 -0.000 0.000 0.270 125 R C -0.258 175.589 176.300 -0.755 0.000 1.014 125 R CA -0.990 54.953 56.100 -0.261 0.000 0.904 125 R CB 1.174 31.388 30.300 -0.143 0.000 1.236 125 R HN 0.158 nan 8.270 nan 0.000 0.466 126 E N 0.694 120.577 120.200 -0.528 0.000 2.058 126 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 126 E C -0.140 176.370 176.600 -0.150 0.000 0.997 126 E CA 2.045 58.208 56.400 -0.395 0.000 0.801 126 E CB 0.073 29.771 29.700 -0.004 0.000 0.746 126 E HN 0.541 nan 8.360 nan 0.000 0.450 127 W N -0.818 120.400 121.300 -0.137 0.000 3.074 127 W HA 0.429 5.089 4.660 -0.000 0.000 0.332 127 W C -1.827 174.748 176.519 0.094 0.000 1.253 127 W CA -1.201 56.089 57.345 -0.091 0.000 1.180 127 W CB -0.174 29.138 29.460 -0.247 0.000 1.445 127 W HN -0.002 nan 8.180 nan 0.000 0.573 128 W N 0.532 121.913 121.300 0.134 0.000 3.075 128 W HA 0.727 5.387 4.660 -0.000 0.000 0.334 128 W C -2.455 174.102 176.519 0.063 0.000 1.243 128 W CA -1.821 55.568 57.345 0.074 0.000 1.170 128 W CB 0.752 30.290 29.460 0.130 0.000 1.452 128 W HN 0.280 nan 8.180 nan 0.000 0.572 129 Y N 2.355 122.794 120.300 0.230 0.000 2.330 129 Y HA 0.443 4.993 4.550 -0.000 0.000 0.336 129 Y C 0.100 176.100 175.900 0.167 0.000 1.036 129 Y CA 0.032 58.158 58.100 0.044 0.000 1.125 129 Y CB 1.349 39.853 38.460 0.074 0.000 1.194 129 Y HN 0.351 nan 8.280 nan 0.000 0.469 130 D N 0.708 121.210 120.400 0.170 0.000 2.552 130 D HA 0.120 4.760 4.640 -0.000 0.000 0.239 130 D C -1.661 174.718 176.300 0.133 0.000 1.139 130 D CA -0.564 53.624 54.000 0.313 0.000 0.914 130 D CB 2.217 43.243 40.800 0.376 0.000 1.461 130 D HN 0.492 nan 8.370 nan 0.000 0.462 131 D N 0.834 121.378 120.400 0.240 0.000 2.225 131 D HA 0.190 4.830 4.640 -0.000 0.000 0.248 131 D C -1.554 174.759 176.300 0.021 0.000 1.096 131 D CA -1.847 52.233 54.000 0.133 0.000 0.863 131 D CB 2.028 42.984 40.800 0.260 0.000 1.156 131 D HN 0.011 nan 8.370 nan 0.000 0.450 132 P HA -0.217 nan 4.420 nan 0.000 0.218 132 P C 1.133 178.440 177.300 0.011 0.000 1.146 132 P CA 1.393 64.445 63.100 -0.081 0.000 0.813 132 P CB 0.025 31.825 31.700 0.167 0.000 0.778 133 K N -0.766 119.571 120.400 -0.104 0.000 2.280 133 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 133 K C 1.053 177.446 176.600 -0.345 0.000 1.047 133 K CA 1.322 57.451 56.287 -0.264 0.000 0.942 133 K CB -0.751 31.480 32.500 -0.448 0.000 0.739 133 K HN 0.149 nan 8.250 nan 0.000 0.457 134 Y N 1.302 121.599 120.300 -0.005 0.000 2.485 134 Y HA 0.346 4.896 4.550 -0.000 0.000 0.260 134 Y C 0.255 176.104 175.900 -0.086 0.000 1.173 134 Y CA -0.469 57.598 58.100 -0.055 0.000 1.252 134 Y CB 0.401 38.841 38.460 -0.033 0.000 1.123 134 Y HN -0.111 nan 8.280 nan 0.000 0.524 135 L N 0.620 121.876 121.223 0.056 0.000 2.295 135 L HA 0.506 4.846 4.340 -0.000 0.000 0.285 135 L C -0.533 176.404 176.870 0.113 0.000 1.035 135 L CA -0.906 53.954 54.840 0.034 0.000 0.806 135 L CB 1.612 43.594 42.059 -0.128 0.000 1.214 135 L HN -0.283 nan 8.230 nan 0.000 0.426 136 V N 3.231 123.193 119.914 0.079 0.000 2.427 136 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 136 V C 0.116 176.311 176.094 0.168 0.000 1.034 136 V CA -0.891 61.477 62.300 0.113 0.000 0.893 136 V CB 1.723 33.611 31.823 0.109 0.000 0.982 136 V HN 0.643 nan 8.190 nan 0.000 0.452 137 K N 4.913 125.410 120.400 0.161 0.000 2.322 137 K HA 0.434 4.754 4.320 -0.000 0.000 0.283 137 K C -0.717 175.945 176.600 0.104 0.000 1.042 137 K CA -0.173 56.201 56.287 0.145 0.000 0.958 137 K CB 0.642 33.183 32.500 0.068 0.000 0.984 137 K HN 0.398 nan 8.250 nan 0.000 0.473 138 I N 5.735 126.368 120.570 0.105 0.000 2.359 138 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 138 I C -2.235 173.920 176.117 0.063 0.000 1.018 138 I CA -3.007 58.344 61.300 0.085 0.000 1.173 138 I CB 0.837 38.901 38.000 0.106 0.000 1.326 138 I HN 0.306 nan 8.210 nan 0.000 0.462 139 P HA 0.079 nan 4.420 nan 0.000 0.265 139 P C 0.834 178.155 177.300 0.035 0.000 1.193 139 P CA -0.139 62.976 63.100 0.025 0.000 0.765 139 P CB 0.747 32.450 31.700 0.004 0.000 0.823 140 K N 1.398 121.820 120.400 0.036 0.000 2.152 140 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 140 K C 1.722 178.343 176.600 0.035 0.000 1.048 140 K CA 1.913 58.227 56.287 0.045 0.000 0.933 140 K CB -0.668 31.856 32.500 0.040 0.000 0.721 140 K HN 0.567 nan 8.250 nan 0.000 0.447 141 S N 1.426 117.139 115.700 0.021 0.000 2.500 141 S HA -0.094 4.376 4.470 -0.000 0.000 0.239 141 S C 1.699 176.305 174.600 0.010 0.000 0.989 141 S CA 0.901 59.109 58.200 0.014 0.000 0.951 141 S CB -0.694 62.509 63.200 0.005 0.000 0.759 141 S HN 0.522 nan 8.310 nan 0.000 0.523 142 I N -2.234 118.341 120.570 0.010 0.000 3.707 142 I HA 0.460 4.630 4.170 -0.000 0.000 0.330 142 I C 1.326 177.443 176.117 0.001 0.000 1.572 142 I CA -0.446 60.855 61.300 0.000 0.000 1.104 142 I CB 0.145 38.136 38.000 -0.015 0.000 1.240 142 I HN 0.052 nan 8.210 nan 0.000 0.475 143 E N 2.631 122.841 120.200 0.017 0.000 2.118 143 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 143 E C 1.474 178.017 176.600 -0.095 0.000 0.992 143 E CA 2.340 58.753 56.400 0.022 0.000 0.804 143 E CB 0.144 29.901 29.700 0.095 0.000 0.741 143 E HN 0.812 nan 8.360 nan 0.000 0.458 144 D N 0.525 120.877 120.400 -0.079 0.000 2.149 144 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 144 D C 2.023 178.241 176.300 -0.138 0.000 0.972 144 D CA 1.429 55.350 54.000 -0.131 0.000 0.835 144 D CB -0.544 40.224 40.800 -0.053 0.000 0.966 144 D HN 0.584 nan 8.370 nan 0.000 0.476 145 I N -3.723 116.805 120.570 -0.069 0.000 4.082 145 I HA 0.499 4.669 4.170 -0.000 0.000 0.337 145 I C 1.875 177.974 176.117 -0.031 0.000 1.352 145 I CA -0.061 61.218 61.300 -0.035 0.000 1.097 145 I CB 0.286 38.299 38.000 0.023 0.000 1.048 145 I HN -0.053 nan 8.210 nan 0.000 0.393 146 G N 2.074 110.849 108.800 -0.042 0.000 2.485 146 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.221 146 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.221 146 G C 1.421 176.326 174.900 0.009 0.000 1.115 146 G CA 0.996 46.089 45.100 -0.011 0.000 0.751 146 G HN 0.430 nan 8.290 nan 0.000 0.567 147 I N 0.611 121.174 120.570 -0.011 0.000 2.454 147 I HA -0.041 4.129 4.170 -0.000 0.000 0.254 147 I C 2.337 178.469 176.117 0.025 0.000 1.156 147 I CA 0.622 61.940 61.300 0.030 0.000 1.433 147 I CB -0.085 37.927 38.000 0.020 0.000 1.082 147 I HN 0.131 nan 8.210 nan 0.000 0.432 148 L N -0.008 121.219 121.223 0.007 0.000 2.549 148 L HA -0.074 4.266 4.340 -0.000 0.000 0.229 148 L C 2.473 179.319 176.870 -0.039 0.000 1.158 148 L CA 0.733 55.577 54.840 0.005 0.000 0.842 148 L CB -0.763 41.318 42.059 0.037 0.000 0.952 148 L HN 0.274 nan 8.230 nan 0.000 0.452 149 A N -0.542 122.249 122.820 -0.049 0.000 2.019 149 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 149 A C 2.322 179.717 177.584 -0.316 0.000 1.164 149 A CA 1.305 53.272 52.037 -0.116 0.000 0.644 149 A CB -0.310 18.680 19.000 -0.016 0.000 0.805 149 A HN 0.398 nan 8.150 nan 0.000 0.449 150 Q N 0.035 119.692 119.800 -0.238 0.000 1.990 150 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 150 Q C -0.671 175.159 176.000 -0.282 0.000 0.980 150 Q CA 2.055 57.623 55.803 -0.392 0.000 0.832 150 Q CB -1.051 27.707 28.738 0.033 0.000 0.897 150 Q HN 0.483 nan 8.270 nan 0.000 0.427 151 P HA -0.137 nan 4.420 nan 0.000 0.217 151 P C 1.671 178.915 177.300 -0.093 0.000 1.150 151 P CA 0.816 63.902 63.100 -0.023 0.000 0.832 151 P CB -0.216 31.507 31.700 0.038 0.000 0.787 152 L N 0.200 121.343 121.223 -0.133 0.000 2.131 152 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 152 L C 2.420 179.175 176.870 -0.192 0.000 1.092 152 L CA 1.638 56.389 54.840 -0.148 0.000 0.759 152 L CB -1.631 40.369 42.059 -0.100 0.000 0.903 152 L HN -0.102 nan 8.230 nan 0.000 0.435 153 A N -0.737 121.912 122.820 -0.285 0.000 1.908 153 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 153 A C 1.980 179.488 177.584 -0.126 0.000 1.181 153 A CA 1.916 53.804 52.037 -0.249 0.000 0.627 153 A CB -0.767 17.816 19.000 -0.695 0.000 0.818 153 A HN 0.527 nan 8.150 nan 0.000 0.445 154 D N -0.034 120.308 120.400 -0.098 0.000 2.144 154 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 154 D C 1.835 178.142 176.300 0.012 0.000 0.984 154 D CA 1.274 55.296 54.000 0.036 0.000 0.834 154 D CB -0.290 40.640 40.800 0.216 0.000 0.955 154 D HN 0.568 nan 8.370 nan 0.000 0.465 155 I N 1.078 121.517 120.570 -0.218 0.000 2.406 155 I HA -0.149 4.021 4.170 -0.000 0.000 0.249 155 I C 2.326 178.211 176.117 -0.388 0.000 1.122 155 I CA 0.653 61.583 61.300 -0.617 0.000 1.431 155 I CB -0.076 37.339 38.000 -0.975 0.000 1.087 155 I HN -0.129 nan 8.210 nan 0.000 0.424 156 E N 1.240 121.314 120.200 -0.209 0.000 2.058 156 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 156 E C 2.094 178.651 176.600 -0.070 0.000 0.997 156 E CA 1.076 57.448 56.400 -0.046 0.000 0.801 156 E CB -0.332 29.426 29.700 0.096 0.000 0.746 156 E HN 0.341 nan 8.360 nan 0.000 0.450 157 K N 1.131 121.344 120.400 -0.312 0.000 2.057 157 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 157 K C 2.201 178.730 176.600 -0.119 0.000 1.049 157 K CA 1.183 57.135 56.287 -0.557 0.000 0.931 157 K CB -0.109 31.925 32.500 -0.776 0.000 0.714 157 K HN -0.059 nan 8.250 nan 0.000 0.440 158 S N 1.317 117.006 115.700 -0.018 0.000 2.356 158 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 158 S C 2.088 176.785 174.600 0.163 0.000 1.032 158 S CA 1.401 59.693 58.200 0.152 0.000 1.005 158 S CB -0.207 63.197 63.200 0.340 0.000 0.867 158 S HN 0.303 nan 8.310 nan 0.000 0.449 159 I N 1.391 122.007 120.570 0.077 0.000 2.252 159 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 159 I C 2.692 178.888 176.117 0.132 0.000 1.102 159 I CA 1.223 62.573 61.300 0.084 0.000 1.385 159 I CB -0.423 37.501 38.000 -0.126 0.000 1.064 159 I HN 0.396 nan 8.210 nan 0.000 0.414 160 E N 1.391 121.661 120.200 0.117 0.000 2.097 160 E HA -0.324 4.026 4.350 -0.000 0.000 0.196 160 E C 2.106 178.780 176.600 0.123 0.000 1.000 160 E CA 1.808 58.284 56.400 0.126 0.000 0.804 160 E CB -0.048 29.755 29.700 0.172 0.000 0.740 160 E HN 0.498 nan 8.360 nan 0.000 0.454 161 E N 0.134 120.415 120.200 0.134 0.000 2.072 161 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 161 E C 2.203 178.869 176.600 0.110 0.000 0.985 161 E CA 1.048 57.533 56.400 0.141 0.000 0.801 161 E CB -0.082 29.728 29.700 0.183 0.000 0.750 161 E HN 0.369 nan 8.360 nan 0.000 0.452 162 I N 0.915 121.565 120.570 0.133 0.000 2.226 162 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 162 I C 2.346 178.491 176.117 0.047 0.000 1.100 162 I CA 0.964 62.330 61.300 0.110 0.000 1.374 162 I CB -0.181 37.955 38.000 0.228 0.000 1.057 162 I HN 0.212 nan 8.210 nan 0.000 0.413 163 L N 0.147 121.436 121.223 0.111 0.000 2.093 163 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 163 L C 2.579 179.469 176.870 0.034 0.000 1.085 163 L CA 1.189 56.089 54.840 0.101 0.000 0.755 163 L CB -0.559 41.577 42.059 0.128 0.000 0.904 163 L HN 0.245 nan 8.230 nan 0.000 0.435 164 E N 0.471 120.693 120.200 0.037 0.000 2.051 164 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 164 E C 2.117 178.706 176.600 -0.019 0.000 0.991 164 E CA 1.509 57.921 56.400 0.019 0.000 0.799 164 E CB -0.222 29.500 29.700 0.036 0.000 0.748 164 E HN 0.148 nan 8.360 nan 0.000 0.449 165 V N 0.976 120.871 119.914 -0.032 0.000 2.392 165 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 165 V C 2.187 178.192 176.094 -0.148 0.000 1.059 165 V CA 1.949 64.208 62.300 -0.069 0.000 1.051 165 V CB -0.514 31.274 31.823 -0.057 0.000 0.658 165 V HN 0.363 nan 8.190 nan 0.000 0.455 166 Q N -0.385 119.270 119.800 -0.242 0.000 2.488 166 Q HA -0.072 4.268 4.340 -0.000 0.000 0.211 166 Q C 2.077 177.948 176.000 -0.216 0.000 0.967 166 Q CA 0.567 56.104 55.803 -0.443 0.000 0.926 166 Q CB -0.252 27.868 28.738 -1.030 0.000 0.992 166 Q HN 0.624 nan 8.270 nan 0.000 0.506 167 K N 0.829 121.178 120.400 -0.085 0.000 2.281 167 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 167 K C 1.918 178.502 176.600 -0.026 0.000 1.046 167 K CA 0.912 57.189 56.287 -0.017 0.000 0.938 167 K CB -0.097 32.403 32.500 0.000 0.000 0.737 167 K HN 0.264 nan 8.250 nan 0.000 0.458 168 R N 0.746 121.209 120.500 -0.063 0.000 2.152 168 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 168 R C 0.389 176.668 176.300 -0.036 0.000 1.117 168 R CA 0.727 56.797 56.100 -0.049 0.000 0.981 168 R CB -0.544 29.716 30.300 -0.066 0.000 0.870 168 R HN -0.129 nan 8.270 nan 0.000 0.451 169 V N 3.550 123.433 119.914 -0.051 0.000 2.455 169 V HA 0.095 4.215 4.120 -0.000 0.000 0.273 169 V C -1.360 174.770 176.094 0.061 0.000 1.045 169 V CA -1.363 60.941 62.300 0.006 0.000 0.976 169 V CB 1.375 33.202 31.823 0.007 0.000 0.993 169 V HN 0.101 nan 8.190 nan 0.000 0.475 170 P HA -0.106 nan 4.420 nan 0.000 0.216 170 P C 0.140 177.490 177.300 0.084 0.000 1.157 170 P CA 1.169 64.305 63.100 0.059 0.000 0.880 170 P CB 0.171 31.900 31.700 0.047 0.000 0.791 171 V N -1.431 118.550 119.914 0.112 0.000 2.445 171 V HA 0.185 4.305 4.120 -0.000 0.000 0.283 171 V C -0.605 175.617 176.094 0.213 0.000 1.014 171 V CA -0.527 61.849 62.300 0.128 0.000 0.852 171 V CB 1.549 33.419 31.823 0.078 0.000 1.021 171 V HN 0.087 nan 8.190 nan 0.000 0.435 172 W N 3.993 125.304 121.300 0.018 0.000 3.127 172 W HA 0.206 4.866 4.660 -0.000 0.000 0.344 172 W C 1.395 177.929 176.519 0.025 0.000 1.151 172 W CA 0.303 57.661 57.345 0.022 0.000 1.765 172 W CB 0.443 29.920 29.460 0.028 0.000 1.085 172 W HN 0.631 nan 8.180 nan 0.000 0.596 173 T N -1.102 113.489 114.554 0.063 0.000 2.754 173 T HA 0.375 4.725 4.350 -0.000 0.000 0.286 173 T C 0.555 175.203 174.700 -0.087 0.000 0.997 173 T CA -0.559 61.515 62.100 -0.042 0.000 0.982 173 T CB 0.979 69.858 68.868 0.018 0.000 1.027 173 T HN -0.108 nan 8.240 nan 0.000 0.529 174 c N 1.033 119.580 118.600 -0.087 0.000 2.548 174 c HA 0.416 4.986 4.570 -0.000 0.000 0.412 174 c C 2.136 176.202 174.090 -0.040 0.000 1.588 174 c CA -0.049 56.232 56.329 -0.081 0.000 1.861 174 c CB 0.913 43.367 42.510 -0.093 0.000 1.983 174 c HN 1.066 nan 8.230 nan 0.000 0.497 175 D N 1.110 121.489 120.400 -0.034 0.000 2.221 175 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 175 D C 0.740 177.034 176.300 -0.011 0.000 0.982 175 D CA 1.647 55.636 54.000 -0.019 0.000 0.857 175 D CB -0.631 40.158 40.800 -0.017 0.000 0.934 175 D HN 0.762 nan 8.370 nan 0.000 0.475 176 D N -1.575 118.818 120.400 -0.013 0.000 2.342 176 D HA 0.211 4.851 4.640 -0.000 0.000 0.221 176 D C 1.660 177.960 176.300 0.001 0.000 1.101 176 D CA 0.301 54.299 54.000 -0.004 0.000 0.837 176 D CB -0.124 40.674 40.800 -0.002 0.000 0.938 176 D HN 0.332 nan 8.370 nan 0.000 0.508 177 G N 0.170 108.969 108.800 -0.002 0.000 2.184 177 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 177 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 177 G C 0.592 175.496 174.900 0.007 0.000 0.975 177 G CA 0.917 46.021 45.100 0.006 0.000 0.642 177 G HN 0.824 nan 8.290 nan 0.000 0.536 178 T N -2.091 112.461 114.554 -0.003 0.000 2.892 178 T HA 0.721 5.071 4.350 -0.000 0.000 0.280 178 T C 1.161 175.839 174.700 -0.037 0.000 1.004 178 T CA -0.306 61.794 62.100 0.000 0.000 0.950 178 T CB 1.367 70.243 68.868 0.012 0.000 1.309 178 T HN 0.392 nan 8.240 nan 0.000 0.592 179 L N 1.158 122.361 121.223 -0.032 0.000 2.818 179 L HA 0.310 4.650 4.340 -0.000 0.000 0.243 179 L C 1.480 178.301 176.870 -0.083 0.000 1.185 179 L CA -0.353 54.419 54.840 -0.113 0.000 0.988 179 L CB -0.440 41.568 42.059 -0.085 0.000 1.292 179 L HN 0.532 nan 8.230 nan 0.000 0.519 180 N N 0.758 119.438 118.700 -0.034 0.000 2.272 180 N HA -0.181 4.559 4.740 -0.000 0.000 0.185 180 N C 1.913 177.403 175.510 -0.033 0.000 1.014 180 N CA 1.589 54.635 53.050 -0.007 0.000 0.870 180 N CB -0.293 38.198 38.487 0.007 0.000 0.975 180 N HN 0.571 nan 8.380 nan 0.000 0.433 181 c N 0.083 118.634 118.600 -0.082 0.000 2.539 181 c HA 0.294 4.864 4.570 -0.000 0.000 0.268 181 c C 0.759 174.767 174.090 -0.136 0.000 1.395 181 c CA -0.784 55.488 56.329 -0.094 0.000 1.757 181 c CB -0.534 41.911 42.510 -0.109 0.000 1.851 181 c HN 0.001 nan 8.230 nan 0.000 0.545 182 R N 2.467 122.851 120.500 -0.193 0.000 2.390 182 R HA 0.444 4.784 4.340 -0.000 0.000 0.291 182 R C -0.462 175.786 176.300 -0.086 0.000 1.070 182 R CA 0.383 56.337 56.100 -0.244 0.000 1.014 182 R CB 0.522 30.528 30.300 -0.490 0.000 1.007 182 R HN 0.609 nan 8.270 nan 0.000 0.466 183 K N 1.278 121.648 120.400 -0.050 0.000 2.270 183 K HA 0.487 4.807 4.320 -0.000 0.000 0.255 183 K C -0.727 175.991 176.600 0.196 0.000 0.936 183 K CA -0.779 55.562 56.287 0.089 0.000 0.809 183 K CB 2.303 34.733 32.500 -0.116 0.000 1.131 183 K HN 0.159 nan 8.250 nan 0.000 0.427 184 V N 3.401 123.448 119.914 0.221 0.000 2.495 184 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 184 V C -0.986 175.148 176.094 0.067 0.000 1.031 184 V CA -1.011 61.285 62.300 -0.007 0.000 0.871 184 V CB 1.572 33.095 31.823 -0.500 0.000 0.988 184 V HN 0.549 nan 8.190 nan 0.000 0.432 185 L N 6.336 127.391 121.223 -0.281 0.000 2.280 185 L HA 0.632 4.972 4.340 -0.000 0.000 0.287 185 L C -0.464 176.225 176.870 -0.301 0.000 1.023 185 L CA 0.082 54.604 54.840 -0.530 0.000 0.819 185 L CB 1.514 42.856 42.059 -1.194 0.000 1.212 185 L HN 0.459 nan 8.230 nan 0.000 0.420 186 V N 6.317 126.134 119.914 -0.162 0.000 2.350 186 V HA 0.380 4.500 4.120 -0.000 0.000 0.276 186 V C -0.175 175.856 176.094 -0.104 0.000 1.028 186 V CA -0.664 61.553 62.300 -0.139 0.000 0.860 186 V CB 1.502 33.299 31.823 -0.043 0.000 0.990 186 V HN 0.499 nan 8.190 nan 0.000 0.453 187 V N 4.610 124.449 119.914 -0.125 0.000 2.364 187 V HA 0.864 4.984 4.120 -0.000 0.000 0.272 187 V C 0.650 176.729 176.094 -0.026 0.000 1.036 187 V CA 0.313 62.578 62.300 -0.058 0.000 0.880 187 V CB 0.589 32.363 31.823 -0.082 0.000 0.991 187 V HN 1.257 nan 8.190 nan 0.000 0.460 188 G N 3.681 112.489 108.800 0.014 0.000 2.911 188 G HA2 0.002 3.962 3.960 -0.000 0.000 0.686 188 G HA3 0.002 3.962 3.960 -0.000 0.000 0.686 188 G C -0.097 174.830 174.900 0.046 0.000 1.136 188 G CA -0.259 44.863 45.100 0.036 0.000 0.764 188 G HN 1.234 nan 8.290 nan 0.000 0.626 189 T N 0.010 114.601 114.554 0.063 0.000 3.339 189 T HA 0.630 4.980 4.350 -0.000 0.000 0.292 189 T C 1.337 176.058 174.700 0.036 0.000 1.012 189 T CA 0.957 63.097 62.100 0.065 0.000 0.937 189 T CB 0.609 69.548 68.868 0.118 0.000 1.164 189 T HN 1.802 nan 8.240 nan 0.000 0.509 190 G N 2.570 111.395 108.800 0.042 0.000 2.583 190 G HA2 0.397 4.357 3.960 -0.000 0.000 0.275 190 G HA3 0.397 4.357 3.960 -0.000 0.000 0.275 190 G C -1.006 173.915 174.900 0.034 0.000 1.342 190 G CA -1.134 43.987 45.100 0.035 0.000 1.030 190 G HN 0.117 nan 8.290 nan 0.000 0.520 191 P HA -0.130 nan 4.420 nan 0.000 0.216 191 P C 1.953 179.279 177.300 0.043 0.000 1.153 191 P CA 0.985 64.107 63.100 0.036 0.000 0.858 191 P CB 0.087 31.819 31.700 0.053 0.000 0.789 192 I N 0.043 120.661 120.570 0.080 0.000 2.142 192 I HA -0.125 4.045 4.170 -0.000 0.000 0.240 192 I C 2.690 178.884 176.117 0.129 0.000 1.078 192 I CA 1.973 63.324 61.300 0.086 0.000 1.343 192 I CB -2.256 35.849 38.000 0.174 0.000 1.046 192 I HN 0.021 nan 8.210 nan 0.000 0.405 193 G N 0.523 109.391 108.800 0.113 0.000 2.418 193 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 193 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 193 G C 1.884 176.834 174.900 0.084 0.000 1.158 193 G CA 0.928 46.092 45.100 0.108 0.000 0.771 193 G HN 0.267 nan 8.290 nan 0.000 0.545 194 V N 0.871 120.801 119.914 0.026 0.000 2.295 194 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 194 V C 2.934 178.975 176.094 -0.087 0.000 1.049 194 V CA 1.577 63.852 62.300 -0.041 0.000 1.024 194 V CB -0.389 31.400 31.823 -0.057 0.000 0.648 194 V HN 0.353 nan 8.190 nan 0.000 0.447 195 L N -1.733 119.454 121.223 -0.060 0.000 2.056 195 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 195 L C 2.398 179.182 176.870 -0.143 0.000 1.078 195 L CA 1.528 56.308 54.840 -0.100 0.000 0.749 195 L CB -0.628 41.383 42.059 -0.081 0.000 0.901 195 L HN 0.222 nan 8.230 nan 0.000 0.433 196 F N 0.450 120.320 119.950 -0.134 0.000 2.095 196 F HA -0.270 4.257 4.527 0.000 0.000 0.298 196 F C 2.684 178.489 175.800 0.009 0.000 1.104 196 F CA 2.019 59.963 58.000 -0.094 0.000 1.232 196 F CB -0.901 38.072 39.000 -0.045 0.000 0.987 196 F HN 0.006 nan 8.300 nan 0.000 0.475 197 T N 0.575 115.226 114.554 0.162 0.000 2.674 197 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 197 T C 2.206 176.835 174.700 -0.119 0.000 1.039 197 T CA 1.481 63.612 62.100 0.052 0.000 1.150 197 T CB -0.643 68.205 68.868 -0.033 0.000 0.864 197 T HN 0.131 nan 8.240 nan 0.000 0.427 198 L N 0.188 121.217 121.223 -0.324 0.000 2.012 198 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 198 L C 2.452 179.089 176.870 -0.387 0.000 1.073 198 L CA 0.938 55.384 54.840 -0.656 0.000 0.748 198 L CB -0.510 40.809 42.059 -1.233 0.000 0.891 198 L HN 0.206 nan 8.230 nan 0.000 0.431 199 L N -1.171 119.928 121.223 -0.208 0.000 2.027 199 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 199 L C 2.268 178.931 176.870 -0.344 0.000 1.074 199 L CA 1.738 56.414 54.840 -0.274 0.000 0.745 199 L CB -0.619 41.222 42.059 -0.364 0.000 0.898 199 L HN 0.008 nan 8.230 nan 0.000 0.433 200 F N -0.066 119.841 119.950 -0.071 0.000 2.171 200 F HA -0.155 4.372 4.527 0.000 0.000 0.300 200 F C 2.530 178.363 175.800 0.055 0.000 1.090 200 F CA 1.135 59.182 58.000 0.078 0.000 1.293 200 F CB -0.433 38.655 39.000 0.146 0.000 1.013 200 F HN 0.061 nan 8.300 nan 0.000 0.486 201 R N -0.494 120.092 120.500 0.144 0.000 2.090 201 R HA -0.048 4.292 4.340 -0.000 0.000 0.228 201 R C 2.098 178.487 176.300 0.149 0.000 1.110 201 R CA 1.462 57.615 56.100 0.089 0.000 0.973 201 R CB -1.552 28.702 30.300 -0.076 0.000 0.869 201 R HN 0.215 nan 8.270 nan 0.000 0.440 202 T N 0.895 115.509 114.554 0.099 0.000 2.720 202 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 202 T C 1.365 176.172 174.700 0.178 0.000 1.037 202 T CA 1.309 63.495 62.100 0.144 0.000 1.144 202 T CB -0.272 68.640 68.868 0.074 0.000 0.864 202 T HN 0.169 nan 8.240 nan 0.000 0.444 203 Y N 0.753 121.140 120.300 0.145 0.000 2.571 203 Y HA 0.271 4.821 4.550 -0.000 0.000 0.294 203 Y C 2.183 178.174 175.900 0.152 0.000 1.141 203 Y CA -0.153 58.036 58.100 0.150 0.000 1.308 203 Y CB -0.720 37.839 38.460 0.165 0.000 1.002 203 Y HN 0.403 nan 8.280 nan 0.000 0.551 204 G N -0.796 108.180 108.800 0.293 0.000 2.176 204 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 204 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 204 G C -0.073 174.922 174.900 0.159 0.000 0.986 204 G CA -0.124 45.091 45.100 0.192 0.000 0.643 204 G HN 0.142 nan 8.290 nan 0.000 0.522 205 L N 1.418 122.770 121.223 0.215 0.000 2.452 205 L HA 0.474 4.814 4.340 -0.000 0.000 0.267 205 L C 0.952 177.887 176.870 0.109 0.000 1.188 205 L CA 0.045 54.971 54.840 0.143 0.000 0.821 205 L CB 0.405 42.564 42.059 0.167 0.000 1.102 205 L HN 0.269 nan 8.230 nan 0.000 0.470 206 E N 0.549 120.805 120.200 0.092 0.000 2.354 206 E HA 0.388 4.738 4.350 -0.000 0.000 0.269 206 E C -1.076 175.625 176.600 0.168 0.000 1.036 206 E CA -0.384 56.083 56.400 0.112 0.000 0.876 206 E CB 1.256 31.087 29.700 0.219 0.000 1.009 206 E HN 0.229 nan 8.360 nan 0.000 0.416 207 V N 3.402 123.352 119.914 0.060 0.000 2.656 207 V HA 0.304 4.424 4.120 -0.000 0.000 0.307 207 V C -0.794 175.337 176.094 0.061 0.000 1.051 207 V CA -0.945 61.428 62.300 0.121 0.000 0.893 207 V CB 1.540 33.389 31.823 0.044 0.000 0.999 207 V HN 0.652 nan 8.190 nan 0.000 0.426 208 W N 4.744 126.081 121.300 0.061 0.000 2.532 208 W HA 0.592 5.252 4.660 0.000 0.000 0.321 208 W C -0.446 176.041 176.519 -0.054 0.000 1.037 208 W CA -0.683 56.688 57.345 0.043 0.000 1.220 208 W CB 1.990 31.515 29.460 0.109 0.000 1.361 208 W HN 0.395 nan 8.180 nan 0.000 0.468 209 M N 2.945 122.603 119.600 0.097 0.000 2.318 209 M HA 0.574 5.054 4.480 -0.000 0.000 0.347 209 M C 0.057 176.258 176.300 -0.165 0.000 1.175 209 M CA -0.216 55.095 55.300 0.018 0.000 1.075 209 M CB 1.546 34.213 32.600 0.111 0.000 1.614 209 M HN 0.345 nan 8.290 nan 0.000 0.456 210 A N 3.367 126.100 122.820 -0.145 0.000 2.393 210 A HA 0.795 5.115 4.320 -0.000 0.000 0.306 210 A C -1.286 176.214 177.584 -0.141 0.000 1.050 210 A CA -0.620 51.289 52.037 -0.214 0.000 0.724 210 A CB 1.424 20.488 19.000 0.107 0.000 1.248 210 A HN 0.965 nan 8.150 nan 0.000 0.424 211 N N -0.593 117.986 118.700 -0.203 0.000 2.823 211 N HA 0.440 5.180 4.740 -0.000 0.000 0.251 211 N C -0.566 174.922 175.510 -0.037 0.000 1.392 211 N CA -0.783 52.260 53.050 -0.011 0.000 0.864 211 N CB 1.267 39.829 38.487 0.126 0.000 1.481 211 N HN 0.595 nan 8.380 nan 0.000 0.508 212 R N 1.373 121.874 120.500 0.002 0.000 4.680 212 R HA 0.386 4.726 4.340 -0.000 0.000 0.222 212 R C -0.406 175.899 176.300 0.007 0.000 1.803 212 R CA -0.260 55.823 56.100 -0.029 0.000 1.560 212 R CB -0.619 29.673 30.300 -0.013 0.000 1.412 212 R HN 0.553 nan 8.270 nan 0.000 0.815 213 R N -2.044 118.479 120.500 0.040 0.000 2.979 213 R HA 0.257 4.597 4.340 -0.000 0.000 0.286 213 R C -1.341 175.036 176.300 0.129 0.000 0.972 213 R CA -1.161 54.977 56.100 0.062 0.000 0.828 213 R CB 0.337 30.683 30.300 0.077 0.000 1.368 213 R HN -0.046 nan 8.270 nan 0.000 0.511 214 E N 0.891 121.127 120.200 0.059 0.000 2.371 214 E HA 0.328 4.678 4.350 -0.000 0.000 0.257 214 E C -2.126 174.396 176.600 -0.129 0.000 1.134 214 E CA -1.786 54.606 56.400 -0.012 0.000 0.919 214 E CB 0.519 30.192 29.700 -0.045 0.000 1.025 214 E HN 0.338 nan 8.360 nan 0.000 0.438 215 P HA 0.009 nan 4.420 nan 0.000 0.272 215 P C -0.123 177.059 177.300 -0.196 0.000 1.223 215 P CA -0.005 62.819 63.100 -0.460 0.000 0.784 215 P CB 0.295 31.586 31.700 -0.681 0.000 0.923 216 T N -2.209 112.266 114.554 -0.133 0.000 2.754 216 T HA 0.093 4.443 4.350 -0.000 0.000 0.286 216 T C 1.207 175.848 174.700 -0.099 0.000 0.997 216 T CA -0.431 61.620 62.100 -0.081 0.000 0.982 216 T CB 0.547 69.360 68.868 -0.091 0.000 1.027 216 T HN 0.507 nan 8.240 nan 0.000 0.529 217 E N -0.262 119.898 120.200 -0.067 0.000 2.070 217 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 217 E C 2.012 178.567 176.600 -0.074 0.000 1.004 217 E CA 1.526 57.887 56.400 -0.065 0.000 0.805 217 E CB -0.261 29.414 29.700 -0.042 0.000 0.744 217 E HN 0.534 nan 8.360 nan 0.000 0.451 218 V N 1.306 121.178 119.914 -0.071 0.000 2.295 218 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 218 V C 2.164 178.203 176.094 -0.091 0.000 1.049 218 V CA 2.361 64.618 62.300 -0.072 0.000 1.024 218 V CB -0.615 31.169 31.823 -0.065 0.000 0.648 218 V HN 0.311 nan 8.190 nan 0.000 0.447 219 E N -0.305 119.834 120.200 -0.103 0.000 2.085 219 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 219 E C 2.244 178.758 176.600 -0.143 0.000 0.994 219 E CA 1.431 57.763 56.400 -0.113 0.000 0.801 219 E CB -0.206 29.426 29.700 -0.113 0.000 0.743 219 E HN 0.516 nan 8.360 nan 0.000 0.453 220 Q N 0.500 120.204 119.800 -0.159 0.000 2.124 220 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 220 Q C 1.998 177.928 176.000 -0.116 0.000 0.977 220 Q CA 2.030 57.741 55.803 -0.154 0.000 0.850 220 Q CB -0.346 28.307 28.738 -0.141 0.000 0.901 220 Q HN 0.180 nan 8.270 nan 0.000 0.429 221 T N -0.470 114.024 114.554 -0.099 0.000 2.708 221 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 221 T C 1.768 176.403 174.700 -0.109 0.000 1.037 221 T CA 1.531 63.580 62.100 -0.085 0.000 1.146 221 T CB -0.393 68.435 68.868 -0.068 0.000 0.865 221 T HN 0.124 nan 8.240 nan 0.000 0.435 222 V N 1.329 121.163 119.914 -0.133 0.000 2.343 222 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 222 V C 2.392 178.370 176.094 -0.194 0.000 1.051 222 V CA 1.389 63.575 62.300 -0.190 0.000 1.036 222 V CB -0.715 30.993 31.823 -0.193 0.000 0.654 222 V HN 0.456 nan 8.190 nan 0.000 0.451 223 I N -0.016 120.467 120.570 -0.144 0.000 2.127 223 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 223 I C 2.618 178.659 176.117 -0.125 0.000 1.075 223 I CA 1.945 63.170 61.300 -0.125 0.000 1.334 223 I CB -0.371 37.568 38.000 -0.101 0.000 1.040 223 I HN 0.374 nan 8.210 nan 0.000 0.405 224 E N 0.063 120.199 120.200 -0.106 0.000 2.072 224 E HA -0.242 4.108 4.350 -0.000 0.000 0.190 224 E C 2.099 178.658 176.600 -0.069 0.000 0.982 224 E CA 1.004 57.356 56.400 -0.080 0.000 0.803 224 E CB -0.055 29.607 29.700 -0.064 0.000 0.755 224 E HN 0.455 nan 8.360 nan 0.000 0.453 225 E N 0.240 120.393 120.200 -0.078 0.000 2.152 225 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 225 E C 1.771 178.355 176.600 -0.028 0.000 0.983 225 E CA 1.497 57.881 56.400 -0.027 0.000 0.818 225 E CB 0.212 29.906 29.700 -0.011 0.000 0.758 225 E HN 0.242 nan 8.360 nan 0.000 0.467 226 T N -2.093 112.334 114.554 -0.212 0.000 3.107 226 T HA 0.138 4.488 4.350 -0.000 0.000 0.249 226 T C 0.438 175.053 174.700 -0.141 0.000 1.096 226 T CA -0.043 61.865 62.100 -0.320 0.000 1.012 226 T CB -0.033 68.439 68.868 -0.659 0.000 0.977 226 T HN -0.022 nan 8.240 nan 0.000 0.527 227 K N 1.557 121.894 120.400 -0.105 0.000 3.257 227 K HA -0.117 4.203 4.320 -0.000 0.000 0.270 227 K C -0.378 176.127 176.600 -0.159 0.000 0.984 227 K CA 0.659 56.884 56.287 -0.103 0.000 0.739 227 K CB -2.251 30.215 32.500 -0.056 0.000 1.351 227 K HN 0.524 nan 8.250 nan 0.000 0.463 228 T N 1.025 115.466 114.554 -0.188 0.000 2.902 228 T HA 0.368 4.718 4.350 -0.000 0.000 0.283 228 T C 0.250 174.784 174.700 -0.276 0.000 1.009 228 T CA -0.970 60.989 62.100 -0.234 0.000 1.051 228 T CB 0.839 69.600 68.868 -0.178 0.000 0.999 228 T HN 0.208 nan 8.240 nan 0.000 0.474 229 N N 1.108 119.516 118.700 -0.487 0.000 2.508 229 N HA 0.338 5.078 4.740 -0.000 0.000 0.285 229 N C -1.279 174.119 175.510 -0.185 0.000 1.144 229 N CA -0.366 52.365 53.050 -0.531 0.000 0.978 229 N CB 1.526 39.164 38.487 -1.416 0.000 1.180 229 N HN 0.597 nan 8.380 nan 0.000 0.484 230 Y N 0.749 120.986 120.300 -0.105 0.000 2.462 230 Y HA 0.369 4.919 4.550 0.000 0.000 0.346 230 Y C -1.588 174.447 175.900 0.224 0.000 0.976 230 Y CA -1.011 57.121 58.100 0.054 0.000 1.044 230 Y CB 1.287 39.746 38.460 -0.002 0.000 1.230 230 Y HN 0.491 nan 8.280 nan 0.000 0.455 231 Y N 5.905 125.938 120.300 -0.444 0.000 2.338 231 Y HA 0.359 4.909 4.550 0.000 0.000 0.333 231 Y C -0.924 174.697 175.900 -0.465 0.000 0.968 231 Y CA -1.221 56.738 58.100 -0.234 0.000 1.123 231 Y CB 1.161 39.590 38.460 -0.052 0.000 1.165 231 Y HN 0.759 nan 8.280 nan 0.000 0.452 232 N N 3.209 121.505 118.700 -0.674 0.000 2.399 232 N HA 0.097 4.837 4.740 -0.000 0.000 0.259 232 N C 0.067 174.999 175.510 -0.964 0.000 1.160 232 N CA 0.237 52.967 53.050 -0.534 0.000 0.946 232 N CB 0.586 38.946 38.487 -0.213 0.000 1.156 232 N HN 0.650 nan 8.380 nan 0.000 0.489 233 S N 1.325 116.616 115.700 -0.682 0.000 2.622 233 S HA 0.060 4.530 4.470 -0.000 0.000 0.236 233 S C 1.254 175.638 174.600 -0.360 0.000 0.956 233 S CA -0.522 57.276 58.200 -0.669 0.000 0.971 233 S CB 0.412 63.232 63.200 -0.633 0.000 0.782 233 S HN 0.441 nan 8.310 nan 0.000 0.468 234 S N 3.026 118.564 115.700 -0.271 0.000 2.400 234 S HA -0.004 4.466 4.470 -0.000 0.000 0.232 234 S C 1.154 175.692 174.600 -0.104 0.000 1.025 234 S CA 0.980 59.097 58.200 -0.139 0.000 0.993 234 S CB -0.243 62.894 63.200 -0.106 0.000 0.808 234 S HN 0.648 nan 8.310 nan 0.000 0.478 235 N N 0.662 119.285 118.700 -0.128 0.000 2.338 235 N HA 0.339 5.079 4.740 -0.000 0.000 0.251 235 N C 0.478 175.968 175.510 -0.035 0.000 1.199 235 N CA 0.506 53.518 53.050 -0.063 0.000 0.879 235 N CB 1.021 39.478 38.487 -0.050 0.000 1.159 235 N HN 0.411 nan 8.380 nan 0.000 0.514 236 G N 0.442 109.207 108.800 -0.059 0.000 2.631 236 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.504 236 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.504 236 G C -0.420 174.466 174.900 -0.023 0.000 1.306 236 G CA -0.629 44.491 45.100 0.033 0.000 0.897 236 G HN 0.263 nan 8.290 nan 0.000 0.520 237 Y N 0.144 120.521 120.300 0.129 0.000 2.467 237 Y HA 0.204 4.754 4.550 -0.000 0.000 0.250 237 Y C 2.288 178.192 175.900 0.006 0.000 1.155 237 Y CA 0.578 58.734 58.100 0.093 0.000 1.249 237 Y CB 0.511 38.962 38.460 -0.015 0.000 1.146 237 Y HN 0.481 nan 8.280 nan 0.000 0.524 238 D N 0.671 121.154 120.400 0.138 0.000 2.123 238 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 238 D C 1.881 178.205 176.300 0.040 0.000 0.992 238 D CA 1.362 55.404 54.000 0.070 0.000 0.833 238 D CB 0.112 40.946 40.800 0.056 0.000 0.954 238 D HN 0.077 nan 8.370 nan 0.000 0.455 239 K N 0.262 120.714 120.400 0.087 0.000 2.057 239 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 239 K C 1.903 178.484 176.600 -0.032 0.000 1.049 239 K CA 0.272 56.612 56.287 0.088 0.000 0.931 239 K CB -0.678 31.949 32.500 0.211 0.000 0.714 239 K HN 0.091 nan 8.250 nan 0.000 0.440 240 L N 1.295 122.343 121.223 -0.292 0.000 2.017 240 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 240 L C 2.044 178.764 176.870 -0.250 0.000 1.073 240 L CA 1.879 56.389 54.840 -0.549 0.000 0.745 240 L CB -0.479 40.880 42.059 -1.167 0.000 0.894 240 L HN 0.103 nan 8.230 nan 0.000 0.432 241 K N -0.777 119.536 120.400 -0.144 0.000 2.063 241 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 241 K C 1.706 178.247 176.600 -0.099 0.000 1.048 241 K CA 1.870 58.100 56.287 -0.094 0.000 0.928 241 K CB -0.139 32.338 32.500 -0.039 0.000 0.713 241 K HN 0.378 nan 8.250 nan 0.000 0.442 242 D N -0.399 119.960 120.400 -0.068 0.000 2.144 242 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 242 D C 1.905 178.169 176.300 -0.060 0.000 0.978 242 D CA 1.006 54.976 54.000 -0.050 0.000 0.833 242 D CB -0.082 40.706 40.800 -0.020 0.000 0.961 242 D HN 0.149 nan 8.370 nan 0.000 0.470 243 S N -0.794 114.865 115.700 -0.069 0.000 2.371 243 S HA -0.014 4.456 4.470 -0.000 0.000 0.219 243 S C 1.834 176.372 174.600 -0.103 0.000 1.040 243 S CA 0.537 58.706 58.200 -0.052 0.000 0.958 243 S CB 0.039 63.237 63.200 -0.004 0.000 0.860 243 S HN 0.017 nan 8.310 nan 0.000 0.487 244 V N 0.589 120.382 119.914 -0.200 0.000 3.125 244 V HA 0.379 4.499 4.120 -0.000 0.000 0.249 244 V C 1.525 177.364 176.094 -0.426 0.000 1.113 244 V CA 0.637 62.722 62.300 -0.357 0.000 1.106 244 V CB -0.692 30.738 31.823 -0.654 0.000 0.768 244 V HN 0.786 nan 8.190 nan 0.000 0.468 245 G N 0.871 109.472 108.800 -0.331 0.000 2.499 245 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.232 245 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.232 245 G C -0.249 174.423 174.900 -0.380 0.000 1.251 245 G CA -0.088 44.833 45.100 -0.299 0.000 0.917 245 G HN 0.364 nan 8.290 nan 0.000 0.580 246 K N -0.709 119.478 120.400 -0.355 0.000 2.168 246 K HA 0.704 5.024 4.320 -0.000 0.000 0.239 246 K C -0.952 175.368 176.600 -0.467 0.000 0.999 246 K CA -0.445 55.691 56.287 -0.252 0.000 0.900 246 K CB 1.130 33.565 32.500 -0.109 0.000 1.111 246 K HN 0.270 nan 8.250 nan 0.000 0.452 247 F N 0.389 120.236 119.950 -0.172 0.000 2.508 247 F HA 0.182 4.709 4.527 -0.000 0.000 0.325 247 F C 1.188 176.950 175.800 -0.063 0.000 1.090 247 F CA -0.528 57.379 58.000 -0.155 0.000 0.945 247 F CB 1.638 40.528 39.000 -0.182 0.000 1.156 247 F HN 0.560 nan 8.300 nan 0.000 0.463 248 D N 0.993 121.476 120.400 0.137 0.000 2.234 248 D HA 0.015 4.655 4.640 -0.000 0.000 0.205 248 D C 0.019 176.479 176.300 0.268 0.000 0.962 248 D CA 1.352 55.491 54.000 0.232 0.000 0.855 248 D CB 0.591 41.542 40.800 0.252 0.000 0.951 248 D HN 0.039 nan 8.370 nan 0.000 0.500 249 V N 1.473 121.491 119.914 0.174 0.000 2.760 249 V HA 0.394 4.514 4.120 -0.000 0.000 0.309 249 V C -0.407 175.663 176.094 -0.040 0.000 1.077 249 V CA -0.723 61.620 62.300 0.072 0.000 0.910 249 V CB 2.848 34.679 31.823 0.014 0.000 1.008 249 V HN -0.089 nan 8.190 nan 0.000 0.424 250 I N 5.076 125.596 120.570 -0.083 0.000 2.466 250 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 250 I C -1.178 174.829 176.117 -0.183 0.000 1.026 250 I CA -0.613 60.576 61.300 -0.185 0.000 1.078 250 I CB 2.139 40.014 38.000 -0.209 0.000 1.249 250 I HN 0.322 nan 8.210 nan 0.000 0.429 251 I N 4.492 124.910 120.570 -0.252 0.000 2.362 251 I HA 0.205 4.375 4.170 -0.000 0.000 0.289 251 I C -0.272 175.680 176.117 -0.274 0.000 0.994 251 I CA -0.382 60.721 61.300 -0.328 0.000 1.158 251 I CB 1.384 39.002 38.000 -0.637 0.000 1.315 251 I HN 0.529 nan 8.210 nan 0.000 0.451 252 D N 5.964 126.248 120.400 -0.193 0.000 2.365 252 D HA 0.425 5.065 4.640 -0.000 0.000 0.237 252 D C 0.369 176.620 176.300 -0.082 0.000 1.190 252 D CA -0.155 53.770 54.000 -0.124 0.000 0.867 252 D CB 1.083 41.834 40.800 -0.082 0.000 1.050 252 D HN 0.611 nan 8.370 nan 0.000 0.491 253 A N 3.087 125.861 122.820 -0.077 0.000 2.630 253 A HA 0.176 4.496 4.320 -0.000 0.000 0.290 253 A C 1.495 179.115 177.584 0.061 0.000 1.267 253 A CA 0.185 52.229 52.037 0.013 0.000 0.950 253 A CB -0.257 18.716 19.000 -0.045 0.000 1.144 253 A HN 0.575 nan 8.150 nan 0.000 0.527 254 T N -4.351 110.228 114.554 0.041 0.000 2.983 254 T HA 0.325 4.675 4.350 -0.000 0.000 0.250 254 T C 1.643 176.387 174.700 0.074 0.000 1.037 254 T CA 1.263 63.395 62.100 0.054 0.000 1.142 254 T CB -0.474 68.418 68.868 0.040 0.000 0.876 254 T HN 1.623 nan 8.240 nan 0.000 0.455 255 G N 1.805 110.648 108.800 0.071 0.000 2.179 255 G HA2 0.013 3.973 3.960 -0.000 0.000 0.257 255 G HA3 0.013 3.973 3.960 -0.000 0.000 0.257 255 G C 0.318 175.266 174.900 0.081 0.000 1.010 255 G CA 0.353 45.508 45.100 0.093 0.000 0.736 255 G HN 1.147 nan 8.290 nan 0.000 0.513 256 A N -0.941 121.916 122.820 0.061 0.000 2.806 256 A HA 0.709 5.029 4.320 -0.000 0.000 0.254 256 A C 0.492 178.103 177.584 0.045 0.000 1.437 256 A CA 0.245 52.315 52.037 0.054 0.000 0.903 256 A CB 0.351 19.381 19.000 0.050 0.000 1.609 256 A HN 0.363 nan 8.150 nan 0.000 0.505 257 D N -0.136 120.288 120.400 0.039 0.000 2.455 257 D HA 0.099 4.739 4.640 -0.000 0.000 0.241 257 D C 1.585 177.900 176.300 0.025 0.000 1.138 257 D CA 0.580 54.599 54.000 0.032 0.000 0.877 257 D CB 1.169 41.987 40.800 0.030 0.000 1.187 257 D HN 0.384 nan 8.370 nan 0.000 0.451 258 V N 1.892 121.819 119.914 0.021 0.000 2.867 258 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 258 V C 1.494 177.589 176.094 0.002 0.000 1.099 258 V CA 1.392 63.699 62.300 0.011 0.000 1.122 258 V CB -0.825 31.006 31.823 0.013 0.000 0.708 258 V HN 0.429 nan 8.190 nan 0.000 0.490 259 N N 0.501 119.207 118.700 0.009 0.000 2.519 259 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 259 N C 1.496 177.007 175.510 0.001 0.000 1.062 259 N CA 1.225 54.279 53.050 0.006 0.000 0.910 259 N CB -0.458 38.038 38.487 0.015 0.000 0.958 259 N HN 0.586 nan 8.380 nan 0.000 0.445 260 I N 0.804 121.376 120.570 0.003 0.000 2.248 260 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 260 I C 1.443 177.518 176.117 -0.070 0.000 1.107 260 I CA 1.336 62.629 61.300 -0.011 0.000 1.373 260 I CB -0.087 37.912 38.000 -0.002 0.000 1.055 260 I HN 0.187 nan 8.210 nan 0.000 0.418 261 L N -0.154 121.033 121.223 -0.060 0.000 2.093 261 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 261 L C 2.569 179.388 176.870 -0.085 0.000 1.085 261 L CA 1.277 56.068 54.840 -0.082 0.000 0.755 261 L CB -1.557 40.469 42.059 -0.055 0.000 0.904 261 L HN 0.402 nan 8.230 nan 0.000 0.435 262 G N -0.014 108.753 108.800 -0.054 0.000 2.432 262 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 262 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 262 G C 1.381 176.245 174.900 -0.060 0.000 1.135 262 G CA 0.569 45.642 45.100 -0.046 0.000 0.767 262 G HN 0.327 nan 8.290 nan 0.000 0.550 263 N N 0.174 118.831 118.700 -0.071 0.000 2.300 263 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 263 N C 2.373 177.732 175.510 -0.251 0.000 1.016 263 N CA 1.504 54.509 53.050 -0.076 0.000 0.876 263 N CB 0.035 38.539 38.487 0.029 0.000 0.979 263 N HN 0.411 nan 8.380 nan 0.000 0.432 264 V N -2.150 117.561 119.914 -0.338 0.000 3.431 264 V HA 0.227 4.347 4.120 -0.000 0.000 0.253 264 V C 1.999 177.941 176.094 -0.255 0.000 1.184 264 V CA 0.223 62.249 62.300 -0.455 0.000 1.104 264 V CB -0.433 31.051 31.823 -0.564 0.000 0.799 264 V HN -0.015 nan 8.190 nan 0.000 0.462 265 I N 1.229 121.699 120.570 -0.168 0.000 2.194 265 I HA -0.126 4.044 4.170 -0.000 0.000 0.246 265 I C -0.267 175.798 176.117 -0.086 0.000 1.093 265 I CA 1.930 63.165 61.300 -0.108 0.000 1.355 265 I CB -1.157 36.797 38.000 -0.077 0.000 1.046 265 I HN 0.380 nan 8.210 nan 0.000 0.413 266 P HA -0.087 nan 4.420 nan 0.000 0.239 266 P C 1.070 178.340 177.300 -0.051 0.000 1.184 266 P CA 0.992 64.057 63.100 -0.059 0.000 0.760 266 P CB 0.087 31.759 31.700 -0.048 0.000 0.884 267 L N -2.322 118.861 121.223 -0.067 0.000 2.640 267 L HA 0.185 4.525 4.340 -0.000 0.000 0.230 267 L C 0.638 177.530 176.870 0.036 0.000 1.123 267 L CA -0.048 54.784 54.840 -0.013 0.000 0.900 267 L CB -0.373 41.669 42.059 -0.027 0.000 1.146 267 L HN -0.031 nan 8.230 nan 0.000 0.484 268 L N 0.215 121.433 121.223 -0.008 0.000 2.367 268 L HA 0.545 4.885 4.340 -0.000 0.000 0.275 268 L C 0.908 177.787 176.870 0.016 0.000 1.129 268 L CA 0.103 54.952 54.840 0.015 0.000 0.839 268 L CB 0.640 42.692 42.059 -0.012 0.000 1.133 268 L HN 0.095 nan 8.230 nan 0.000 0.453 269 G N 4.393 113.213 108.800 0.033 0.000 2.547 269 G HA2 0.345 4.305 3.960 -0.000 0.000 0.291 269 G HA3 0.345 4.305 3.960 -0.000 0.000 0.291 269 G C -0.420 174.503 174.900 0.039 0.000 1.211 269 G CA -0.883 44.226 45.100 0.016 0.000 0.950 269 G HN 0.674 nan 8.290 nan 0.000 0.504 270 R N 0.507 121.028 120.500 0.034 0.000 2.585 270 R HA -0.013 4.327 4.340 -0.000 0.000 0.275 270 R C 0.242 176.593 176.300 0.085 0.000 1.018 270 R CA 0.390 56.519 56.100 0.048 0.000 1.072 270 R CB 0.129 30.453 30.300 0.040 0.000 0.953 270 R HN 0.661 nan 8.270 nan 0.000 0.419 271 N N -1.034 117.704 118.700 0.063 0.000 2.863 271 N HA -0.155 4.585 4.740 -0.000 0.000 0.245 271 N C 0.245 175.772 175.510 0.029 0.000 1.001 271 N CA 1.455 54.534 53.050 0.049 0.000 0.901 271 N CB -1.383 37.167 38.487 0.105 0.000 1.124 271 N HN 0.822 nan 8.380 nan 0.000 0.582 272 G N -0.415 108.422 108.800 0.061 0.000 2.616 272 G HA2 0.542 4.502 3.960 -0.000 0.000 0.268 272 G HA3 0.542 4.502 3.960 -0.000 0.000 0.268 272 G C -0.203 174.698 174.900 0.000 0.000 1.213 272 G CA -0.177 44.968 45.100 0.076 0.000 0.926 272 G HN 0.096 nan 8.290 nan 0.000 0.523 273 V N 0.576 120.497 119.914 0.012 0.000 2.531 273 V HA 0.351 4.471 4.120 -0.000 0.000 0.301 273 V C -0.666 175.425 176.094 -0.004 0.000 1.034 273 V CA -0.711 61.579 62.300 -0.016 0.000 0.865 273 V CB 1.557 33.359 31.823 -0.035 0.000 0.995 273 V HN 0.643 nan 8.190 nan 0.000 0.424 274 L N 4.745 125.956 121.223 -0.020 0.000 2.262 274 L HA 0.816 5.156 4.340 -0.000 0.000 0.288 274 L C 0.565 177.420 176.870 -0.025 0.000 1.035 274 L CA 0.234 55.051 54.840 -0.039 0.000 0.820 274 L CB 0.907 42.936 42.059 -0.050 0.000 1.204 274 L HN 0.720 nan 8.230 nan 0.000 0.424 275 G N 6.555 115.337 108.800 -0.029 0.000 2.356 275 G HA2 0.475 4.435 3.960 -0.000 0.000 0.312 275 G HA3 0.475 4.435 3.960 -0.000 0.000 0.312 275 G C -0.686 174.202 174.900 -0.021 0.000 1.096 275 G CA -0.559 44.542 45.100 0.001 0.000 0.950 275 G HN 0.600 nan 8.290 nan 0.000 0.428 276 L N 3.247 124.469 121.223 -0.001 0.000 2.268 276 L HA 0.358 4.698 4.340 -0.000 0.000 0.289 276 L C 0.486 177.349 176.870 -0.010 0.000 1.064 276 L CA -0.550 54.276 54.840 -0.023 0.000 0.824 276 L CB 0.967 43.005 42.059 -0.036 0.000 1.202 276 L HN 0.684 nan 8.230 nan 0.000 0.433 277 F N 1.450 121.287 119.950 -0.187 0.000 2.577 277 F HA 0.389 4.916 4.527 -0.000 0.000 0.276 277 F C 1.645 177.201 175.800 -0.406 0.000 1.032 277 F CA -0.130 57.742 58.000 -0.214 0.000 1.297 277 F CB 0.448 39.420 39.000 -0.046 0.000 1.061 277 F HN 0.415 nan 8.300 nan 0.000 0.680 278 G N 0.794 109.560 108.800 -0.057 0.000 2.554 278 G HA2 0.155 4.115 3.960 -0.000 0.000 0.238 278 G HA3 0.155 4.115 3.960 -0.000 0.000 0.238 278 G C -1.154 173.526 174.900 -0.366 0.000 1.259 278 G CA -0.363 44.644 45.100 -0.154 0.000 0.843 278 G HN 0.200 nan 8.290 nan 0.000 0.582 279 F N 1.296 121.252 119.950 0.010 0.000 2.303 279 F HA 0.263 4.790 4.527 -0.000 0.000 0.368 279 F C 1.060 176.867 175.800 0.011 0.000 1.105 279 F CA -0.551 57.444 58.000 -0.009 0.000 1.153 279 F CB 1.089 40.076 39.000 -0.023 0.000 1.362 279 F HN 0.227 nan 8.300 nan 0.000 0.511 280 S N 0.965 116.757 115.700 0.153 0.000 2.562 280 S HA 0.089 4.559 4.470 -0.000 0.000 0.281 280 S C 1.142 175.803 174.600 0.101 0.000 1.333 280 S CA -0.051 58.208 58.200 0.100 0.000 1.052 280 S CB 0.894 64.130 63.200 0.061 0.000 0.884 280 S HN 0.786 nan 8.310 nan 0.000 0.506 281 T N -1.935 112.665 114.554 0.076 0.000 2.975 281 T HA 0.309 4.659 4.350 -0.000 0.000 0.257 281 T C 0.374 175.100 174.700 0.043 0.000 1.003 281 T CA 0.089 62.226 62.100 0.062 0.000 0.932 281 T CB 0.024 68.930 68.868 0.063 0.000 1.087 281 T HN 0.637 nan 8.240 nan 0.000 0.512 282 S N -0.549 115.175 115.700 0.040 0.000 2.588 282 S HA 0.751 5.221 4.470 -0.000 0.000 0.269 282 S C -0.019 174.597 174.600 0.027 0.000 1.157 282 S CA -0.311 57.908 58.200 0.030 0.000 0.824 282 S CB 1.393 64.610 63.200 0.028 0.000 1.126 282 S HN 1.562 nan 8.310 nan 0.000 0.464 283 G N 0.184 108.997 108.800 0.022 0.000 2.712 283 G HA2 0.332 4.292 3.960 -0.000 0.000 0.683 283 G HA3 0.332 4.292 3.960 -0.000 0.000 0.683 283 G C -0.456 174.454 174.900 0.017 0.000 1.320 283 G CA -0.240 44.871 45.100 0.019 0.000 0.847 283 G HN 1.927 nan 8.290 nan 0.000 0.553 284 S N -1.641 114.068 115.700 0.015 0.000 2.575 284 S HA 0.667 5.137 4.470 -0.000 0.000 0.278 284 S C -0.847 173.759 174.600 0.011 0.000 1.139 284 S CA 0.200 58.407 58.200 0.013 0.000 0.954 284 S CB 1.817 65.024 63.200 0.012 0.000 1.054 284 S HN 2.088 nan 8.310 nan 0.000 0.483 285 V N 6.884 126.803 119.914 0.008 0.000 2.384 285 V HA 0.727 4.847 4.120 -0.000 0.000 0.287 285 V C -2.313 173.783 176.094 0.004 0.000 1.020 285 V CA -1.928 60.374 62.300 0.004 0.000 0.850 285 V CB 1.515 33.337 31.823 -0.002 0.000 0.987 285 V HN 0.871 nan 8.190 nan 0.000 0.436 286 P HA 0.404 nan 4.420 nan 0.000 0.286 286 P C -1.393 175.908 177.300 0.003 0.000 1.269 286 P CA -0.444 62.660 63.100 0.008 0.000 0.787 286 P CB 1.314 33.021 31.700 0.011 0.000 0.920 287 L N 4.084 125.312 121.223 0.007 0.000 2.298 287 L HA 0.304 4.644 4.340 -0.000 0.000 0.284 287 L C 0.459 177.338 176.870 0.015 0.000 1.013 287 L CA -0.513 54.328 54.840 0.002 0.000 0.824 287 L CB 0.818 42.878 42.059 0.001 0.000 1.221 287 L HN 0.435 nan 8.230 nan 0.000 0.418 288 D N 0.626 121.024 120.400 -0.003 0.000 2.348 288 D HA 0.109 4.749 4.640 -0.000 0.000 0.249 288 D C 1.147 177.450 176.300 0.004 0.000 1.110 288 D CA -0.376 53.630 54.000 0.009 0.000 0.967 288 D CB 0.425 41.194 40.800 -0.052 0.000 1.139 288 D HN 0.542 nan 8.370 nan 0.000 0.466 289 Y N -0.576 119.727 120.300 0.005 0.000 2.256 289 Y HA -0.089 4.460 4.550 -0.000 0.000 0.288 289 Y C 1.695 177.603 175.900 0.013 0.000 1.155 289 Y CA 0.978 59.081 58.100 0.006 0.000 1.203 289 Y CB -0.405 38.059 38.460 0.007 0.000 0.980 289 Y HN 0.192 nan 8.280 nan 0.000 0.530 290 K N 0.319 120.311 120.400 -0.680 0.000 2.025 290 K HA -0.101 4.218 4.320 -0.000 0.000 0.207 290 K C 2.073 178.572 176.600 -0.170 0.000 1.049 290 K CA 1.952 57.970 56.287 -0.448 0.000 0.933 290 K CB -0.378 31.823 32.500 -0.497 0.000 0.714 290 K HN 0.365 nan 8.250 nan 0.000 0.438 291 T N 2.061 116.531 114.554 -0.140 0.000 2.708 291 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 291 T C 1.921 176.603 174.700 -0.030 0.000 1.037 291 T CA 1.100 63.159 62.100 -0.069 0.000 1.146 291 T CB -0.187 68.646 68.868 -0.059 0.000 0.865 291 T HN 0.088 nan 8.240 nan 0.000 0.435 292 L N 1.021 122.235 121.223 -0.015 0.000 2.056 292 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 292 L C 2.966 179.845 176.870 0.015 0.000 1.078 292 L CA 1.468 56.313 54.840 0.008 0.000 0.749 292 L CB -0.643 41.432 42.059 0.026 0.000 0.901 292 L HN 0.391 nan 8.230 nan 0.000 0.433 293 Q N -0.018 119.804 119.800 0.036 0.000 2.170 293 Q HA -0.260 4.080 4.340 -0.000 0.000 0.203 293 Q C 2.052 178.107 176.000 0.091 0.000 0.976 293 Q CA 1.682 57.516 55.803 0.051 0.000 0.858 293 Q CB -0.265 28.545 28.738 0.120 0.000 0.907 293 Q HN 0.380 nan 8.270 nan 0.000 0.433 294 E N 0.833 121.081 120.200 0.081 0.000 2.107 294 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 294 E C 1.982 178.623 176.600 0.069 0.000 0.982 294 E CA 0.987 57.444 56.400 0.096 0.000 0.809 294 E CB -0.080 29.638 29.700 0.030 0.000 0.756 294 E HN 0.575 nan 8.360 nan 0.000 0.459 295 I N 0.396 120.982 120.570 0.027 0.000 2.208 295 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 295 I C 2.464 178.583 176.117 0.004 0.000 1.097 295 I CA 0.773 62.080 61.300 0.010 0.000 1.363 295 I CB -0.176 37.822 38.000 -0.004 0.000 1.051 295 I HN -0.022 nan 8.210 nan 0.000 0.413 296 V N 0.068 119.970 119.914 -0.020 0.000 2.295 296 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 296 V C 2.254 178.315 176.094 -0.056 0.000 1.049 296 V CA 2.124 64.383 62.300 -0.068 0.000 1.024 296 V CB -0.971 30.768 31.823 -0.140 0.000 0.648 296 V HN 0.437 nan 8.190 nan 0.000 0.447 297 H N 0.312 119.383 119.070 0.002 0.000 2.456 297 H HA -0.097 4.459 4.556 0.000 0.000 0.296 297 H C 1.996 177.324 175.328 0.001 0.000 1.079 297 H CA 1.665 57.715 56.048 0.002 0.000 1.322 297 H CB 0.123 29.886 29.762 0.001 0.000 1.388 297 H HN 0.622 nan 8.280 nan 0.000 0.538 298 T N -2.898 111.723 114.554 0.112 0.000 3.174 298 T HA 0.085 4.435 4.350 -0.000 0.000 0.269 298 T C 0.273 174.995 174.700 0.037 0.000 1.017 298 T CA -0.364 61.775 62.100 0.066 0.000 0.899 298 T CB 0.006 68.904 68.868 0.050 0.000 1.077 298 T HN 0.346 nan 8.240 nan 0.000 0.552 299 N N 1.233 119.947 118.700 0.024 0.000 2.725 299 N HA -0.143 4.596 4.740 -0.000 0.000 0.249 299 N C -0.518 174.985 175.510 -0.011 0.000 1.103 299 N CA 0.723 53.774 53.050 0.002 0.000 0.707 299 N CB -1.022 37.466 38.487 0.002 0.000 1.043 299 N HN 0.632 nan 8.380 nan 0.000 0.553 300 K N 0.457 120.854 120.400 -0.005 0.000 2.202 300 K HA 0.359 4.679 4.320 -0.000 0.000 0.264 300 K C 0.568 177.154 176.600 -0.024 0.000 1.010 300 K CA 0.200 56.480 56.287 -0.013 0.000 0.940 300 K CB 1.113 33.610 32.500 -0.005 0.000 0.983 300 K HN 0.010 nan 8.250 nan 0.000 0.475 301 T N 1.595 116.130 114.554 -0.031 0.000 2.893 301 T HA 0.566 4.916 4.350 -0.000 0.000 0.293 301 T C -1.112 173.575 174.700 -0.022 0.000 1.027 301 T CA -0.741 61.341 62.100 -0.030 0.000 0.988 301 T CB 0.594 69.435 68.868 -0.044 0.000 1.043 301 T HN 0.365 nan 8.240 nan 0.000 0.461 302 I N 5.085 125.647 120.570 -0.014 0.000 2.406 302 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 302 I C -0.643 175.475 176.117 0.002 0.000 0.999 302 I CA -0.841 60.453 61.300 -0.010 0.000 1.124 302 I CB 1.761 39.754 38.000 -0.012 0.000 1.289 302 I HN 0.510 nan 8.210 nan 0.000 0.441 303 I N 4.651 125.226 120.570 0.009 0.000 2.533 303 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 303 I C 0.433 176.565 176.117 0.025 0.000 1.056 303 I CA -0.762 60.554 61.300 0.026 0.000 1.057 303 I CB 2.029 40.056 38.000 0.046 0.000 1.240 303 I HN 0.600 nan 8.210 nan 0.000 0.423 304 G N 6.775 115.586 108.800 0.018 0.000 2.358 304 G HA2 0.570 4.530 3.960 -0.000 0.000 0.273 304 G HA3 0.570 4.530 3.960 -0.000 0.000 0.273 304 G C -0.604 174.289 174.900 -0.013 0.000 1.215 304 G CA -0.320 44.777 45.100 -0.005 0.000 0.910 304 G HN 0.474 nan 8.290 nan 0.000 0.467 305 L N 2.914 124.123 121.223 -0.024 0.000 2.319 305 L HA 0.643 4.983 4.340 -0.000 0.000 0.281 305 L C -0.410 176.372 176.870 -0.147 0.000 1.005 305 L CA -0.926 53.923 54.840 0.015 0.000 0.828 305 L CB 1.895 44.100 42.059 0.243 0.000 1.227 305 L HN 0.316 nan 8.230 nan 0.000 0.415 306 V N 4.536 124.347 119.914 -0.171 0.000 2.891 306 V HA 0.462 4.581 4.120 -0.000 0.000 0.304 306 V C -0.751 175.226 176.094 -0.196 0.000 1.171 306 V CA -0.382 61.781 62.300 -0.228 0.000 0.943 306 V CB 2.032 33.765 31.823 -0.151 0.000 1.037 306 V HN 0.978 nan 8.190 nan 0.000 0.427 307 N N 3.407 122.024 118.700 -0.139 0.000 4.065 307 N HA -0.120 4.619 4.740 -0.000 0.000 0.309 307 N C -0.283 175.209 175.510 -0.030 0.000 2.189 307 N CA 0.793 53.793 53.050 -0.084 0.000 2.863 307 N CB -0.150 38.247 38.487 -0.149 0.000 0.362 307 N HN 1.238 nan 8.380 nan 0.000 0.685 308 G N 2.282 111.118 108.800 0.060 0.000 2.389 308 G HA2 0.520 4.480 3.960 -0.000 0.000 0.317 308 G HA3 0.520 4.480 3.960 -0.000 0.000 0.317 308 G C -0.395 174.781 174.900 0.460 0.000 1.137 308 G CA -0.236 44.966 45.100 0.169 0.000 0.870 308 G HN 0.589 nan 8.290 nan 0.000 0.496 309 Q N 0.011 120.233 119.800 0.704 0.000 2.852 309 Q HA 0.299 4.639 4.340 -0.000 0.000 0.262 309 Q C 1.373 177.600 176.000 0.378 0.000 1.051 309 Q CA -0.997 55.077 55.803 0.452 0.000 0.894 309 Q CB 1.522 30.432 28.738 0.287 0.000 1.381 309 Q HN 0.661 nan 8.270 nan 0.000 0.501 310 K N 0.779 121.231 120.400 0.087 0.000 2.059 310 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 310 K C -0.870 175.761 176.600 0.052 0.000 1.050 310 K CA 2.057 58.339 56.287 -0.008 0.000 0.927 310 K CB -0.851 31.611 32.500 -0.064 0.000 0.714 310 K HN 0.297 nan 8.250 nan 0.000 0.447 311 P HA -0.161 nan 4.420 nan 0.000 0.218 311 P C 0.496 177.740 177.300 -0.095 0.000 1.148 311 P CA 1.639 64.650 63.100 -0.150 0.000 0.822 311 P CB -0.154 31.369 31.700 -0.294 0.000 0.784 312 H N -1.980 117.207 119.070 0.196 0.000 2.395 312 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 312 H C 1.851 177.276 175.328 0.162 0.000 1.070 312 H CA 0.758 56.905 56.048 0.166 0.000 1.356 312 H CB -0.755 29.103 29.762 0.160 0.000 1.401 312 H HN 0.038 nan 8.280 nan 0.000 0.524 313 F N 1.480 121.502 119.950 0.120 0.000 2.134 313 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 313 F C 2.443 178.256 175.800 0.022 0.000 1.097 313 F CA 1.382 59.425 58.000 0.070 0.000 1.264 313 F CB -0.357 38.685 39.000 0.070 0.000 1.001 313 F HN 0.180 nan 8.300 nan 0.000 0.479 314 Q N -0.518 119.406 119.800 0.206 0.000 2.079 314 Q HA -0.260 4.080 4.340 -0.000 0.000 0.200 314 Q C 2.223 178.222 176.000 -0.002 0.000 0.974 314 Q CA 1.538 57.388 55.803 0.078 0.000 0.840 314 Q CB -0.362 28.400 28.738 0.040 0.000 0.898 314 Q HN 0.496 nan 8.270 nan 0.000 0.430 315 Q N 0.315 120.117 119.800 0.003 0.000 2.084 315 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 315 Q C 2.004 177.918 176.000 -0.142 0.000 0.978 315 Q CA 1.344 57.097 55.803 -0.084 0.000 0.844 315 Q CB -0.125 28.635 28.738 0.035 0.000 0.898 315 Q HN 0.389 nan 8.270 nan 0.000 0.426 316 A N -0.272 122.524 122.820 -0.040 0.000 1.908 316 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 316 A C 2.214 179.692 177.584 -0.177 0.000 1.181 316 A CA 1.587 53.565 52.037 -0.099 0.000 0.627 316 A CB -0.848 18.087 19.000 -0.109 0.000 0.818 316 A HN 0.312 nan 8.150 nan 0.000 0.445 317 V N -0.364 119.483 119.914 -0.113 0.000 2.287 317 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 317 V C 2.602 178.586 176.094 -0.183 0.000 1.053 317 V CA 2.108 64.341 62.300 -0.112 0.000 1.027 317 V CB -0.748 31.052 31.823 -0.039 0.000 0.646 317 V HN 0.393 nan 8.190 nan 0.000 0.447 318 V N -0.405 119.375 119.914 -0.223 0.000 2.332 318 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 318 V C 2.197 178.081 176.094 -0.350 0.000 1.055 318 V CA 2.477 64.613 62.300 -0.273 0.000 1.038 318 V CB -0.924 30.713 31.823 -0.309 0.000 0.651 318 V HN 0.673 nan 8.190 nan 0.000 0.450 319 H N -0.836 117.999 119.070 -0.392 0.000 2.395 319 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 319 H C 2.284 176.882 175.328 -1.218 0.000 1.070 319 H CA 1.261 56.870 56.048 -0.731 0.000 1.356 319 H CB -0.038 29.281 29.762 -0.738 0.000 1.401 319 H HN 0.270 nan 8.280 nan 0.000 0.524 320 L N 0.172 120.923 121.223 -0.786 0.000 2.042 320 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 320 L C 2.794 179.500 176.870 -0.274 0.000 1.076 320 L CA 0.889 55.381 54.840 -0.579 0.000 0.749 320 L CB -0.418 41.472 42.059 -0.281 0.000 0.893 320 L HN 0.357 nan 8.230 nan 0.000 0.432 321 A N -0.013 122.675 122.820 -0.219 0.000 1.902 321 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 321 A C 2.542 180.078 177.584 -0.079 0.000 1.181 321 A CA 2.070 54.041 52.037 -0.109 0.000 0.623 321 A CB -0.810 18.131 19.000 -0.098 0.000 0.818 321 A HN 0.527 nan 8.150 nan 0.000 0.443 322 S N -1.339 114.281 115.700 -0.133 0.000 2.382 322 S HA -0.201 4.269 4.470 -0.000 0.000 0.228 322 S C 1.724 176.380 174.600 0.094 0.000 1.027 322 S CA 1.399 59.577 58.200 -0.037 0.000 0.991 322 S CB -0.695 62.500 63.200 -0.009 0.000 0.823 322 S HN 0.664 nan 8.310 nan 0.000 0.469 323 W N 2.175 123.482 121.300 0.011 0.000 2.465 323 W HA 0.260 4.920 4.660 -0.000 0.000 0.268 323 W C 2.188 178.713 176.519 0.010 0.000 1.242 323 W CA -0.043 57.319 57.345 0.028 0.000 1.248 323 W CB -0.761 28.782 29.460 0.137 0.000 1.118 323 W HN 0.432 nan 8.180 nan 0.000 0.587 324 K N -0.566 119.951 120.400 0.194 0.000 2.209 324 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 324 K C 1.859 178.499 176.600 0.067 0.000 1.048 324 K CA 1.791 58.145 56.287 0.111 0.000 0.940 324 K CB -0.211 32.327 32.500 0.063 0.000 0.729 324 K HN 0.001 nan 8.250 nan 0.000 0.451 325 T N 0.929 115.508 114.554 0.042 0.000 2.953 325 T HA 0.101 4.451 4.350 -0.000 0.000 0.247 325 T C 1.801 176.469 174.700 -0.053 0.000 1.029 325 T CA 0.408 62.508 62.100 -0.001 0.000 1.144 325 T CB 0.081 68.942 68.868 -0.011 0.000 0.870 325 T HN 0.034 nan 8.240 nan 0.000 0.446 326 L N -0.399 120.748 121.223 -0.127 0.000 2.072 326 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 326 L C 0.283 176.859 176.870 -0.490 0.000 1.079 326 L CA 1.179 55.763 54.840 -0.426 0.000 0.752 326 L CB -0.094 41.523 42.059 -0.736 0.000 0.906 326 L HN 0.321 nan 8.230 nan 0.000 0.436 327 Y N -1.653 118.683 120.300 0.061 0.000 2.477 327 Y HA 0.265 4.815 4.550 -0.000 0.000 0.340 327 Y C -1.787 174.122 175.900 0.016 0.000 0.987 327 Y CA -2.764 55.327 58.100 -0.014 0.000 1.127 327 Y CB -0.404 37.971 38.460 -0.141 0.000 1.139 327 Y HN -0.066 nan 8.280 nan 0.000 0.637 328 P HA -0.178 nan 4.420 nan 0.000 0.216 328 P C 0.988 178.333 177.300 0.074 0.000 1.150 328 P CA 1.641 64.795 63.100 0.091 0.000 0.837 328 P CB 0.627 32.360 31.700 0.055 0.000 0.786 329 K N 0.070 120.506 120.400 0.059 0.000 2.026 329 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 329 K C 2.419 179.028 176.600 0.016 0.000 1.048 329 K CA 1.524 57.829 56.287 0.029 0.000 0.929 329 K CB -0.695 31.813 32.500 0.014 0.000 0.713 329 K HN 0.013 nan 8.250 nan 0.000 0.439 330 A N 1.601 124.427 122.820 0.009 0.000 1.902 330 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 330 A C 2.385 179.973 177.584 0.007 0.000 1.181 330 A CA 1.854 53.867 52.037 -0.038 0.000 0.623 330 A CB -0.706 18.212 19.000 -0.136 0.000 0.818 330 A HN 0.344 nan 8.150 nan 0.000 0.443 331 A N 0.166 123.034 122.820 0.079 0.000 1.902 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 331 A C 2.011 179.644 177.584 0.081 0.000 1.181 331 A CA 1.672 53.790 52.037 0.135 0.000 0.623 331 A CB -0.428 18.695 19.000 0.206 0.000 0.818 331 A HN 0.561 nan 8.150 nan 0.000 0.443 332 K N -0.933 119.500 120.400 0.055 0.000 2.442 332 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 332 K C 1.274 177.884 176.600 0.018 0.000 1.042 332 K CA 1.004 57.311 56.287 0.032 0.000 0.958 332 K CB -0.154 32.362 32.500 0.026 0.000 0.766 332 K HN 0.509 nan 8.250 nan 0.000 0.474 333 M N 0.259 119.866 119.600 0.012 0.000 2.371 333 M HA 0.099 4.579 4.480 -0.000 0.000 0.246 333 M C 1.368 177.667 176.300 -0.001 0.000 1.103 333 M CA 0.235 55.533 55.300 -0.003 0.000 1.010 333 M CB 0.320 32.908 32.600 -0.021 0.000 1.457 333 M HN 0.052 nan 8.290 nan 0.000 0.486 334 L N 0.181 121.414 121.223 0.017 0.000 2.156 334 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 334 L C 0.607 177.487 176.870 0.017 0.000 1.095 334 L CA 0.420 55.275 54.840 0.025 0.000 0.770 334 L CB 0.052 42.151 42.059 0.067 0.000 0.914 334 L HN 0.197 nan 8.230 nan 0.000 0.439 335 I N 0.041 120.617 120.570 0.010 0.000 2.291 335 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 335 I C 1.324 177.443 176.117 0.002 0.000 1.050 335 I CA 0.225 61.526 61.300 0.001 0.000 1.245 335 I CB 0.622 38.612 38.000 -0.016 0.000 1.405 335 I HN 0.017 nan 8.210 nan 0.000 0.478 336 T N 5.959 120.515 114.554 0.004 0.000 2.770 336 T HA -0.055 4.295 4.350 -0.000 0.000 0.263 336 T C 0.778 175.482 174.700 0.007 0.000 1.039 336 T CA 1.192 63.294 62.100 0.003 0.000 1.142 336 T CB 0.130 68.999 68.868 0.003 0.000 0.868 336 T HN 0.716 nan 8.240 nan 0.000 0.435 337 K N -0.563 119.844 120.400 0.011 0.000 2.615 337 K HA 0.490 4.810 4.320 -0.000 0.000 0.291 337 K C -1.919 174.695 176.600 0.022 0.000 1.017 337 K CA -0.950 55.345 56.287 0.015 0.000 0.882 337 K CB 1.312 33.821 32.500 0.014 0.000 1.522 337 K HN -0.221 nan 8.250 nan 0.000 0.412 338 T N 1.212 115.784 114.554 0.030 0.000 2.792 338 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 338 T C -1.068 173.654 174.700 0.036 0.000 0.990 338 T CA -0.687 61.442 62.100 0.049 0.000 0.960 338 T CB 1.421 70.333 68.868 0.074 0.000 0.939 338 T HN 0.353 nan 8.240 nan 0.000 0.439 339 V N 2.731 122.661 119.914 0.027 0.000 2.459 339 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 339 V C 0.543 176.616 176.094 -0.035 0.000 1.029 339 V CA -0.869 61.427 62.300 -0.006 0.000 0.874 339 V CB 1.879 33.691 31.823 -0.018 0.000 0.985 339 V HN 0.953 nan 8.190 nan 0.000 0.438 340 S N 3.115 118.784 115.700 -0.052 0.000 2.562 340 S HA 0.143 4.613 4.470 -0.000 0.000 0.281 340 S C 1.104 175.590 174.600 -0.191 0.000 1.333 340 S CA -0.365 57.776 58.200 -0.098 0.000 1.052 340 S CB 0.417 63.576 63.200 -0.068 0.000 0.884 340 S HN 0.649 nan 8.310 nan 0.000 0.506 341 I N 4.228 124.593 120.570 -0.341 0.000 2.530 341 I HA -0.103 4.067 4.170 -0.000 0.000 0.257 341 I C 1.415 177.345 176.117 -0.311 0.000 1.179 341 I CA 1.528 62.517 61.300 -0.519 0.000 1.440 341 I CB -0.302 37.059 38.000 -1.066 0.000 1.087 341 I HN 0.652 nan 8.210 nan 0.000 0.440 342 N N 0.002 118.584 118.700 -0.198 0.000 2.336 342 N HA -0.033 4.707 4.740 -0.000 0.000 0.189 342 N C 0.212 175.670 175.510 -0.087 0.000 1.113 342 N CA 0.288 53.266 53.050 -0.120 0.000 0.858 342 N CB -0.125 38.315 38.487 -0.077 0.000 0.970 342 N HN 0.342 nan 8.380 nan 0.000 0.471 343 D N 1.136 121.482 120.400 -0.091 0.000 2.564 343 D HA 0.045 4.685 4.640 -0.000 0.000 0.226 343 D C 1.034 177.296 176.300 -0.064 0.000 1.149 343 D CA -0.206 53.756 54.000 -0.062 0.000 0.994 343 D CB 0.342 41.112 40.800 -0.049 0.000 1.029 343 D HN 0.100 nan 8.370 nan 0.000 0.517 344 E N 2.309 122.472 120.200 -0.061 0.000 2.110 344 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 344 E C 1.647 178.221 176.600 -0.042 0.000 0.988 344 E CA 0.970 57.334 56.400 -0.059 0.000 0.804 344 E CB 0.279 29.948 29.700 -0.052 0.000 0.745 344 E HN 0.322 nan 8.360 nan 0.000 0.458 345 K N 0.312 120.693 120.400 -0.032 0.000 2.026 345 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 345 K C 2.146 178.734 176.600 -0.021 0.000 1.048 345 K CA 1.712 57.985 56.287 -0.023 0.000 0.929 345 K CB -0.054 32.436 32.500 -0.018 0.000 0.713 345 K HN -0.045 nan 8.250 nan 0.000 0.439 346 E N 0.895 121.081 120.200 -0.023 0.000 2.106 346 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 346 E C 1.864 178.451 176.600 -0.022 0.000 0.984 346 E CA 0.788 57.177 56.400 -0.019 0.000 0.806 346 E CB -0.277 29.412 29.700 -0.018 0.000 0.750 346 E HN 0.281 nan 8.360 nan 0.000 0.458 347 L N 0.132 121.332 121.223 -0.038 0.000 2.012 347 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 347 L C 2.185 179.037 176.870 -0.029 0.000 1.073 347 L CA 1.674 56.487 54.840 -0.045 0.000 0.748 347 L CB -0.562 41.448 42.059 -0.081 0.000 0.891 347 L HN 0.237 nan 8.230 nan 0.000 0.431 348 L N -0.522 120.684 121.223 -0.027 0.000 2.042 348 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 348 L C 2.669 179.536 176.870 -0.006 0.000 1.076 348 L CA 1.795 56.625 54.840 -0.016 0.000 0.749 348 L CB -0.618 41.431 42.059 -0.017 0.000 0.893 348 L HN 0.347 nan 8.230 nan 0.000 0.432 349 K N 0.255 120.652 120.400 -0.006 0.000 2.009 349 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 349 K C 1.996 178.601 176.600 0.008 0.000 1.049 349 K CA 2.040 58.328 56.287 0.002 0.000 0.929 349 K CB -0.093 32.408 32.500 0.001 0.000 0.714 349 K HN 0.290 nan 8.250 nan 0.000 0.440 350 V N -0.668 119.250 119.914 0.006 0.000 2.626 350 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 350 V C 2.017 178.123 176.094 0.019 0.000 1.067 350 V CA 1.318 63.626 62.300 0.013 0.000 1.081 350 V CB -0.641 31.189 31.823 0.012 0.000 0.686 350 V HN 0.218 nan 8.190 nan 0.000 0.468 351 L N -0.349 120.882 121.223 0.014 0.000 2.201 351 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 351 L C 2.972 179.857 176.870 0.026 0.000 1.105 351 L CA 1.582 56.434 54.840 0.021 0.000 0.775 351 L CB -0.434 41.635 42.059 0.016 0.000 0.913 351 L HN 0.232 nan 8.230 nan 0.000 0.440 352 R N -0.715 119.797 120.500 0.021 0.000 2.173 352 R HA 0.108 4.448 4.340 -0.000 0.000 0.208 352 R C 0.418 176.734 176.300 0.028 0.000 1.035 352 R CA 0.356 56.469 56.100 0.022 0.000 1.004 352 R CB 0.365 30.674 30.300 0.016 0.000 0.917 352 R HN 0.218 nan 8.270 nan 0.000 0.462 353 E N 0.511 120.728 120.200 0.029 0.000 2.363 353 E HA 0.144 4.494 4.350 -0.000 0.000 0.281 353 E C -1.592 175.031 176.600 0.038 0.000 0.953 353 E CA -0.644 55.776 56.400 0.034 0.000 0.778 353 E CB 1.622 31.340 29.700 0.030 0.000 1.220 353 E HN -0.165 nan 8.360 nan 0.000 0.431 354 K N 2.949 123.376 120.400 0.046 0.000 2.270 354 K HA 0.124 4.444 4.320 -0.000 0.000 0.276 354 K C -0.508 176.123 176.600 0.052 0.000 1.023 354 K CA -0.256 56.059 56.287 0.048 0.000 0.955 354 K CB 0.660 33.193 32.500 0.054 0.000 0.975 354 K HN 0.514 nan 8.250 nan 0.000 0.471 355 E N 2.143 122.371 120.200 0.047 0.000 2.313 355 E HA 0.035 4.385 4.350 -0.000 0.000 0.272 355 E C -0.623 176.025 176.600 0.080 0.000 1.038 355 E CA -0.770 55.667 56.400 0.062 0.000 0.863 355 E CB 0.654 30.382 29.700 0.047 0.000 1.060 355 E HN 0.514 nan 8.360 nan 0.000 0.402 356 H N 1.263 120.342 119.070 0.015 0.000 3.034 356 H HA 0.153 4.709 4.556 -0.000 0.000 0.324 356 H C 1.330 176.665 175.328 0.012 0.000 1.015 356 H CA 1.900 57.956 56.048 0.015 0.000 1.429 356 H CB 0.351 30.119 29.762 0.010 0.000 1.429 356 H HN 0.839 nan 8.280 nan 0.000 0.585 357 G N 3.342 111.833 108.800 -0.515 0.000 2.184 357 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 357 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 357 G C 0.438 175.251 174.900 -0.145 0.000 0.975 357 G CA 0.364 45.242 45.100 -0.370 0.000 0.642 357 G HN 0.857 nan 8.290 nan 0.000 0.536 358 E N 0.139 120.290 120.200 -0.082 0.000 2.442 358 E HA 0.256 4.606 4.350 -0.000 0.000 0.262 358 E C 1.129 177.714 176.600 -0.025 0.000 1.004 358 E CA -0.187 56.194 56.400 -0.031 0.000 0.928 358 E CB 0.114 29.813 29.700 -0.002 0.000 0.937 358 E HN 0.162 nan 8.360 nan 0.000 0.446 359 I N 2.362 122.925 120.570 -0.012 0.000 3.341 359 I HA 0.130 4.299 4.170 -0.000 0.000 0.243 359 I C 0.361 176.489 176.117 0.018 0.000 1.094 359 I CA 0.561 61.861 61.300 -0.001 0.000 1.507 359 I CB -0.557 37.438 38.000 -0.008 0.000 1.441 359 I HN 0.382 nan 8.210 nan 0.000 0.465 360 K N 1.312 121.722 120.400 0.017 0.000 2.553 360 K HA 0.465 4.785 4.320 -0.000 0.000 0.250 360 K C -1.335 175.279 176.600 0.023 0.000 0.953 360 K CA -0.215 56.087 56.287 0.026 0.000 0.800 360 K CB 1.291 33.807 32.500 0.027 0.000 1.243 360 K HN -0.072 nan 8.250 nan 0.000 0.435 361 I N 3.842 124.430 120.570 0.029 0.000 2.353 361 I HA 0.424 4.594 4.170 -0.000 0.000 0.293 361 I C 0.290 176.433 176.117 0.044 0.000 0.992 361 I CA -0.611 60.708 61.300 0.031 0.000 1.268 361 I CB 1.330 39.348 38.000 0.030 0.000 1.387 361 I HN 0.585 nan 8.210 nan 0.000 0.478 362 R N 5.807 126.337 120.500 0.051 0.000 2.532 362 R HA 0.673 5.013 4.340 -0.000 0.000 0.295 362 R C -0.895 175.473 176.300 0.113 0.000 0.968 362 R CA -0.654 55.500 56.100 0.090 0.000 0.916 362 R CB 1.516 31.855 30.300 0.067 0.000 1.124 362 R HN 0.533 nan 8.270 nan 0.000 0.463 363 I N 5.146 125.812 120.570 0.161 0.000 2.336 363 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 363 I C -0.630 175.609 176.117 0.203 0.000 0.991 363 I CA -0.937 60.427 61.300 0.107 0.000 1.227 363 I CB 1.618 39.654 38.000 0.060 0.000 1.366 363 I HN 0.412 nan 8.210 nan 0.000 0.466 364 L N 7.196 128.479 121.223 0.100 0.000 2.264 364 L HA 0.442 4.781 4.340 -0.000 0.000 0.289 364 L C -1.374 175.465 176.870 -0.052 0.000 1.044 364 L CA 0.005 54.918 54.840 0.121 0.000 0.807 364 L CB 0.542 42.683 42.059 0.135 0.000 1.192 364 L HN 0.395 nan 8.230 nan 0.000 0.425 365 W N 5.093 126.364 121.300 -0.048 0.000 2.358 365 W HA 0.516 5.176 4.660 -0.000 0.000 0.307 365 W C 0.305 176.799 176.519 -0.041 0.000 1.203 365 W CA -0.154 57.175 57.345 -0.027 0.000 1.279 365 W CB 0.663 30.116 29.460 -0.012 0.000 1.264 365 W HN 0.561 nan 8.180 nan 0.000 0.474 366 E N 0.000 120.266 120.200 0.111 0.000 2.725 366 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 366 E CA 0.000 56.442 56.400 0.070 0.000 0.976 366 E CB 0.000 29.712 29.700 0.020 0.000 0.812 366 E HN 0.000 nan 8.360 nan 0.000 0.440