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 3aek_1_C DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLN 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.431 174.700 -0.449 0.000 1.109 7 T CA 0.000 61.955 62.100 -0.242 0.000 1.349 7 T CB 0.000 68.734 68.868 -0.224 0.000 0.612 8 F N 1.304 121.245 119.950 -0.015 0.000 2.551 8 F HA 0.731 5.258 4.527 -0.000 0.000 0.316 8 F C 0.608 176.400 175.800 -0.013 0.000 1.089 8 F CA 0.128 58.119 58.000 -0.015 0.000 0.915 8 F CB 2.411 41.404 39.000 -0.012 0.000 1.186 8 F HN 0.465 nan 8.300 nan 0.000 0.456 9 G N 1.091 110.006 108.800 0.192 0.000 3.305 9 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.649 9 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.649 9 G C -0.749 174.182 174.900 0.052 0.000 1.255 9 G CA -1.039 44.120 45.100 0.099 0.000 1.137 9 G HN 0.851 nan 8.290 nan 0.000 0.535 10 C N 2.606 121.931 119.300 0.043 0.000 2.881 10 C HA 0.300 4.760 4.460 -0.000 0.000 0.290 10 C C 2.578 177.575 174.990 0.012 0.000 1.362 10 C CA 0.708 59.737 59.018 0.018 0.000 1.757 10 C CB -1.006 26.742 27.740 0.014 0.000 2.265 10 C HN 0.900 nan 8.230 nan 0.000 0.600 11 T N 1.188 115.752 114.554 0.017 0.000 2.649 11 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 11 T C 0.950 175.651 174.700 0.002 0.000 1.036 11 T CA 1.862 63.968 62.100 0.010 0.000 1.157 11 T CB -0.162 68.712 68.868 0.011 0.000 0.861 11 T HN 0.545 nan 8.240 nan 0.000 0.445 12 D N 0.819 121.219 120.400 -0.000 0.000 2.424 12 D HA 0.210 4.850 4.640 -0.000 0.000 0.220 12 D C -0.092 176.203 176.300 -0.010 0.000 1.150 12 D CA 0.015 54.012 54.000 -0.005 0.000 0.831 12 D CB 0.251 41.048 40.800 -0.004 0.000 0.981 12 D HN 0.194 nan 8.370 nan 0.000 0.500 13 S N 3.022 118.716 115.700 -0.011 0.000 2.516 13 S HA 0.160 4.630 4.470 -0.000 0.000 0.282 13 S C -2.101 172.486 174.600 -0.020 0.000 1.286 13 S CA -0.812 57.378 58.200 -0.017 0.000 1.066 13 S CB 0.830 64.018 63.200 -0.019 0.000 0.884 13 S HN 0.137 nan 8.310 nan 0.000 0.491 14 P HA 0.088 nan 4.420 nan 0.000 0.270 14 P C -0.321 176.963 177.300 -0.026 0.000 1.242 14 P CA -0.242 62.846 63.100 -0.021 0.000 0.768 14 P CB 0.433 32.123 31.700 -0.017 0.000 0.820 15 V N 4.866 124.762 119.914 -0.029 0.000 2.461 15 V HA 0.220 4.340 4.120 -0.000 0.000 0.275 15 V C 0.584 176.662 176.094 -0.028 0.000 1.047 15 V CA -0.869 61.410 62.300 -0.035 0.000 0.955 15 V CB 0.495 32.292 31.823 -0.044 0.000 0.988 15 V HN 0.548 nan 8.190 nan 0.000 0.471 16 R N 6.956 127.440 120.500 -0.028 0.000 2.399 16 R HA 0.230 4.570 4.340 -0.000 0.000 0.324 16 R C -0.227 176.067 176.300 -0.011 0.000 1.030 16 R CA -0.159 55.931 56.100 -0.017 0.000 0.984 16 R CB 0.182 30.472 30.300 -0.017 0.000 0.961 16 R HN 0.813 nan 8.270 nan 0.000 0.433 17 R N 3.916 124.415 120.500 -0.002 0.000 2.265 17 R HA 0.189 4.529 4.340 -0.000 0.000 0.319 17 R C -0.605 175.707 176.300 0.021 0.000 1.006 17 R CA -0.392 55.713 56.100 0.009 0.000 0.880 17 R CB 1.508 31.813 30.300 0.009 0.000 1.077 17 R HN 0.629 nan 8.270 nan 0.000 0.454 18 E N 2.905 123.123 120.200 0.031 0.000 2.275 18 E HA 0.255 4.605 4.350 -0.000 0.000 0.270 18 E C -1.035 175.594 176.600 0.048 0.000 0.882 18 E CA -0.786 55.636 56.400 0.037 0.000 0.758 18 E CB 1.871 31.594 29.700 0.038 0.000 1.195 18 E HN 0.553 nan 8.360 nan 0.000 0.419 19 R N 1.972 122.499 120.500 0.045 0.000 2.892 19 R HA 0.936 5.275 4.340 -0.000 0.000 0.265 19 R C 0.089 176.414 176.300 0.043 0.000 1.025 19 R CA -0.533 55.596 56.100 0.048 0.000 0.982 19 R CB 2.056 32.384 30.300 0.046 0.000 1.185 19 R HN 0.619 nan 8.270 nan 0.000 0.484 20 G N 0.215 109.040 108.800 0.042 0.000 2.334 20 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.249 20 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.249 20 G C -1.593 173.327 174.900 0.034 0.000 1.327 20 G CA -0.830 44.292 45.100 0.036 0.000 0.979 20 G HN 0.684 nan 8.290 nan 0.000 0.471 21 Q N 0.814 120.631 119.800 0.030 0.000 2.274 21 Q HA 0.411 4.751 4.340 -0.000 0.000 0.280 21 Q C -0.325 175.691 176.000 0.026 0.000 1.047 21 Q CA 0.491 56.307 55.803 0.022 0.000 0.907 21 Q CB 0.261 29.008 28.738 0.014 0.000 1.171 21 Q HN 0.372 nan 8.270 nan 0.000 0.381 22 K N 1.923 122.333 120.400 0.017 0.000 2.259 22 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 22 K C -1.333 175.253 176.600 -0.023 0.000 0.942 22 K CA -0.780 55.517 56.287 0.016 0.000 0.816 22 K CB 2.044 34.562 32.500 0.030 0.000 1.155 22 K HN 0.590 nan 8.250 nan 0.000 0.428 23 A N 2.112 124.904 122.820 -0.046 0.000 2.978 23 A HA 0.449 4.769 4.320 -0.000 0.000 0.341 23 A C -0.517 176.965 177.584 -0.170 0.000 1.105 23 A CA -0.557 51.406 52.037 -0.124 0.000 0.819 23 A CB -0.068 18.835 19.000 -0.161 0.000 1.080 23 A HN 0.423 nan 8.150 nan 0.000 0.476 24 V N -2.430 117.387 119.914 -0.162 0.000 3.130 24 V HA 0.854 4.974 4.120 -0.000 0.000 0.310 24 V C -0.715 175.254 176.094 -0.209 0.000 1.158 24 V CA -1.308 60.882 62.300 -0.183 0.000 1.029 24 V CB 1.298 33.117 31.823 -0.008 0.000 1.057 24 V HN 0.327 nan 8.190 nan 0.000 0.436 25 F N 1.552 121.448 119.950 -0.089 0.000 2.371 25 F HA 0.670 5.197 4.527 -0.000 0.000 0.329 25 F C 1.213 177.036 175.800 0.039 0.000 1.107 25 F CA -0.515 57.445 58.000 -0.066 0.000 1.137 25 F CB 0.755 39.653 39.000 -0.169 0.000 1.214 25 F HN 1.045 nan 8.300 nan 0.000 0.536 26 C N 0.276 119.740 119.300 0.273 0.000 2.553 26 C HA 0.580 5.040 4.460 -0.000 0.000 0.345 26 C C 1.731 176.821 174.990 0.166 0.000 1.369 26 C CA -0.198 58.922 59.018 0.170 0.000 2.447 26 C CB 0.220 28.021 27.740 0.101 0.000 2.358 26 C HN 1.010 nan 8.230 nan 0.000 0.676 27 G N -0.218 108.644 108.800 0.103 0.000 2.598 27 G HA2 0.009 3.969 3.960 -0.000 0.000 0.215 27 G HA3 0.009 3.969 3.960 -0.000 0.000 0.215 27 G C 1.098 175.980 174.900 -0.030 0.000 1.131 27 G CA 0.240 45.375 45.100 0.059 0.000 0.785 27 G HN 0.688 nan 8.290 nan 0.000 0.539 28 L N 1.895 123.092 121.223 -0.043 0.000 2.081 28 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 28 L C 3.263 179.982 176.870 -0.252 0.000 1.080 28 L CA 2.244 57.004 54.840 -0.133 0.000 0.754 28 L CB -0.968 41.028 42.059 -0.105 0.000 0.893 28 L HN 0.419 nan 8.230 nan 0.000 0.433 29 T N -4.059 110.378 114.554 -0.194 0.000 2.897 29 T HA -0.193 4.157 4.350 -0.000 0.000 0.271 29 T C 2.038 176.477 174.700 -0.434 0.000 1.084 29 T CA 1.180 63.134 62.100 -0.243 0.000 1.123 29 T CB -0.791 67.991 68.868 -0.142 0.000 0.865 29 T HN 0.485 nan 8.240 nan 0.000 0.496 30 S N 2.042 117.326 115.700 -0.694 0.000 2.400 30 S HA -0.076 4.394 4.470 -0.000 0.000 0.232 30 S C 1.982 175.656 174.600 -1.543 0.000 1.025 30 S CA 0.952 58.154 58.200 -1.664 0.000 0.993 30 S CB -1.040 61.513 63.200 -1.079 0.000 0.808 30 S HN 0.597 nan 8.310 nan 0.000 0.478 31 I N 1.542 121.525 120.570 -0.978 0.000 2.315 31 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 31 I C 2.370 178.038 176.117 -0.748 0.000 1.125 31 I CA 1.031 61.716 61.300 -1.025 0.000 1.392 31 I CB -0.557 36.923 38.000 -0.866 0.000 1.065 31 I HN 0.222 nan 8.210 nan 0.000 0.424 32 V N 0.473 120.055 119.914 -0.553 0.000 2.332 32 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 32 V C 2.064 178.186 176.094 0.046 0.000 1.055 32 V CA 2.466 64.700 62.300 -0.110 0.000 1.038 32 V CB -0.760 31.104 31.823 0.067 0.000 0.651 32 V HN 0.798 nan 8.190 nan 0.000 0.450 33 W N -1.623 119.583 121.300 -0.157 0.000 2.683 33 W HA 0.276 4.936 4.660 -0.000 0.000 0.267 33 W C 1.668 177.980 176.519 -0.345 0.000 1.243 33 W CA -0.088 57.073 57.345 -0.308 0.000 1.380 33 W CB -0.946 28.185 29.460 -0.549 0.000 1.063 33 W HN 0.023 nan 8.180 nan 0.000 0.599 34 L N 2.218 122.997 121.223 -0.740 0.000 2.046 34 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 34 L C 2.881 179.549 176.870 -0.336 0.000 1.077 34 L CA 2.422 56.915 54.840 -0.577 0.000 0.747 34 L CB -1.849 39.648 42.059 -0.936 0.000 0.896 34 L HN 0.502 nan 8.230 nan 0.000 0.432 35 H N -2.177 116.622 119.070 -0.451 0.000 2.457 35 H HA -0.029 4.527 4.556 -0.000 0.000 0.294 35 H C 2.084 177.455 175.328 0.071 0.000 1.064 35 H CA 1.011 57.026 56.048 -0.056 0.000 1.330 35 H CB -0.109 29.643 29.762 -0.016 0.000 1.395 35 H HN 0.107 nan 8.280 nan 0.000 0.541 36 R N 0.445 120.634 120.500 -0.518 0.000 2.073 36 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 36 R C 2.147 178.405 176.300 -0.070 0.000 1.120 36 R CA 1.444 57.375 56.100 -0.282 0.000 0.967 36 R CB -0.219 29.922 30.300 -0.265 0.000 0.862 36 R HN 0.354 nan 8.270 nan 0.000 0.436 37 K N 0.676 121.049 120.400 -0.046 0.000 2.103 37 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 37 K C 0.709 177.340 176.600 0.051 0.000 1.052 37 K CA 1.105 57.397 56.287 0.007 0.000 0.945 37 K CB 0.106 32.615 32.500 0.014 0.000 0.722 37 K HN -0.020 nan 8.250 nan 0.000 0.443 38 M N 1.968 121.628 119.600 0.100 0.000 2.289 38 M HA 0.168 4.648 4.480 -0.000 0.000 0.354 38 M C 0.286 176.700 176.300 0.190 0.000 1.210 38 M CA -0.187 55.209 55.300 0.161 0.000 1.174 38 M CB 1.402 34.142 32.600 0.234 0.000 1.297 38 M HN 0.078 nan 8.290 nan 0.000 0.423 39 Q N 0.582 120.464 119.800 0.136 0.000 2.124 39 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 39 Q C 0.847 176.935 176.000 0.146 0.000 0.977 39 Q CA 1.212 57.094 55.803 0.132 0.000 0.850 39 Q CB 0.276 29.069 28.738 0.092 0.000 0.901 39 Q HN 0.616 nan 8.270 nan 0.000 0.429 40 D N -0.432 120.048 120.400 0.134 0.000 2.340 40 D HA 0.127 4.767 4.640 -0.000 0.000 0.220 40 D C -0.394 175.993 176.300 0.145 0.000 1.039 40 D CA 0.164 54.233 54.000 0.114 0.000 0.866 40 D CB 0.272 41.116 40.800 0.073 0.000 0.913 40 D HN 0.159 nan 8.370 nan 0.000 0.523 41 A N 0.319 123.262 122.820 0.204 0.000 2.303 41 A HA 0.559 4.879 4.320 -0.000 0.000 0.317 41 A C -0.952 176.786 177.584 0.256 0.000 1.149 41 A CA -0.461 51.701 52.037 0.208 0.000 0.822 41 A CB 0.911 20.039 19.000 0.214 0.000 1.131 41 A HN 0.064 nan 8.150 nan 0.000 0.493 42 F N 1.002 120.972 119.950 0.033 0.000 2.540 42 F HA 0.712 5.239 4.527 -0.000 0.000 0.317 42 F C -1.548 174.265 175.800 0.022 0.000 1.104 42 F CA -1.086 56.978 58.000 0.107 0.000 0.913 42 F CB 1.578 40.623 39.000 0.075 0.000 1.170 42 F HN 0.437 nan 8.300 nan 0.000 0.450 43 F N 7.044 126.901 119.950 -0.155 0.000 2.375 43 F HA 0.466 4.993 4.527 -0.000 0.000 0.361 43 F C -0.807 174.983 175.800 -0.016 0.000 1.117 43 F CA -0.839 57.179 58.000 0.031 0.000 1.037 43 F CB 1.442 40.396 39.000 -0.077 0.000 1.192 43 F HN 0.249 nan 8.300 nan 0.000 0.452 44 L N 5.565 127.009 121.223 0.368 0.000 2.277 44 L HA 0.585 4.925 4.340 -0.000 0.000 0.284 44 L C -0.738 176.237 176.870 0.175 0.000 1.028 44 L CA -0.521 54.535 54.840 0.359 0.000 0.835 44 L CB 0.772 43.067 42.059 0.392 0.000 1.215 44 L HN 0.314 nan 8.230 nan 0.000 0.425 45 V N 5.634 125.621 119.914 0.122 0.000 2.637 45 V HA 0.211 4.331 4.120 -0.000 0.000 0.296 45 V C 0.126 176.248 176.094 0.046 0.000 1.046 45 V CA -0.482 61.842 62.300 0.041 0.000 1.066 45 V CB 1.304 33.135 31.823 0.012 0.000 0.968 45 V HN 0.482 nan 8.190 nan 0.000 0.483 46 V N 4.965 124.888 119.914 0.015 0.000 2.311 46 V HA 0.845 4.965 4.120 -0.000 0.000 0.275 46 V C 0.639 176.734 176.094 0.001 0.000 1.022 46 V CA 0.586 62.893 62.300 0.012 0.000 0.830 46 V CB 0.391 32.215 31.823 0.002 0.000 1.012 46 V HN 1.134 nan 8.190 nan 0.000 0.452 47 G N 3.482 112.287 108.800 0.008 0.000 2.664 47 G HA2 0.649 4.609 3.960 -0.000 0.000 0.303 47 G HA3 0.649 4.609 3.960 -0.000 0.000 0.303 47 G C -0.550 174.356 174.900 0.010 0.000 1.243 47 G CA 0.224 45.328 45.100 0.006 0.000 0.826 47 G HN 0.753 nan 8.290 nan 0.000 0.498 48 S N -1.171 114.536 115.700 0.013 0.000 2.768 48 S HA 0.484 4.954 4.470 -0.000 0.000 0.300 48 S C 1.292 175.905 174.600 0.022 0.000 1.122 48 S CA -0.034 58.174 58.200 0.013 0.000 0.995 48 S CB 2.011 65.215 63.200 0.007 0.000 1.195 48 S HN 0.785 nan 8.310 nan 0.000 0.547 49 R N -0.120 120.390 120.500 0.016 0.000 2.152 49 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 49 R C 1.827 178.154 176.300 0.046 0.000 1.117 49 R CA 1.953 58.067 56.100 0.023 0.000 0.981 49 R CB -1.157 29.140 30.300 -0.006 0.000 0.870 49 R HN 0.818 nan 8.270 nan 0.000 0.451 50 T N -0.111 114.463 114.554 0.034 0.000 2.684 50 T HA -0.213 4.136 4.350 -0.000 0.000 0.267 50 T C 1.974 176.729 174.700 0.091 0.000 1.036 50 T CA 1.621 63.760 62.100 0.065 0.000 1.148 50 T CB -0.427 68.465 68.868 0.040 0.000 0.863 50 T HN 0.430 nan 8.240 nan 0.000 0.436 51 C N 1.800 121.132 119.300 0.053 0.000 2.429 51 C HA 0.140 4.600 4.460 -0.000 0.000 0.277 51 C C 3.256 178.267 174.990 0.034 0.000 1.262 51 C CA 0.101 59.138 59.018 0.032 0.000 1.733 51 C CB -1.580 26.168 27.740 0.014 0.000 2.010 51 C HN 0.648 nan 8.230 nan 0.000 0.483 52 A N -0.247 122.609 122.820 0.061 0.000 1.902 52 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 52 A C 2.150 179.788 177.584 0.090 0.000 1.181 52 A CA 1.796 53.878 52.037 0.075 0.000 0.623 52 A CB -1.122 17.924 19.000 0.077 0.000 0.818 52 A HN 0.811 nan 8.150 nan 0.000 0.443 53 H N -0.573 118.498 119.070 0.002 0.000 2.353 53 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 53 H C 2.090 177.411 175.328 -0.012 0.000 1.090 53 H CA 1.800 57.846 56.048 -0.002 0.000 1.327 53 H CB -0.064 29.699 29.762 0.002 0.000 1.383 53 H HN 0.402 nan 8.280 nan 0.000 0.508 54 L N 1.021 122.240 121.223 -0.007 0.000 1.989 54 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 54 L C 2.396 179.180 176.870 -0.143 0.000 1.071 54 L CA 1.463 56.256 54.840 -0.080 0.000 0.749 54 L CB -0.803 41.244 42.059 -0.020 0.000 0.890 54 L HN 0.242 nan 8.230 nan 0.000 0.431 55 L N -0.435 120.715 121.223 -0.122 0.000 2.083 55 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 55 L C 2.817 179.620 176.870 -0.112 0.000 1.083 55 L CA 1.856 56.585 54.840 -0.185 0.000 0.752 55 L CB -0.703 41.244 42.059 -0.187 0.000 0.899 55 L HN 0.617 nan 8.230 nan 0.000 0.433 56 Q N -0.018 119.743 119.800 -0.065 0.000 2.187 56 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 56 Q C 2.165 178.081 176.000 -0.140 0.000 0.957 56 Q CA 1.315 57.068 55.803 -0.083 0.000 0.857 56 Q CB -0.164 28.526 28.738 -0.081 0.000 0.929 56 Q HN 0.361 nan 8.270 nan 0.000 0.453 57 A N 1.403 124.108 122.820 -0.191 0.000 1.897 57 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 57 A C 2.406 179.900 177.584 -0.150 0.000 1.181 57 A CA 1.330 53.254 52.037 -0.187 0.000 0.620 57 A CB -0.910 17.930 19.000 -0.268 0.000 0.821 57 A HN 0.555 nan 8.150 nan 0.000 0.443 58 A N 0.060 122.774 122.820 -0.177 0.000 1.877 58 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 58 A C 2.494 179.983 177.584 -0.158 0.000 1.186 58 A CA 2.146 54.059 52.037 -0.207 0.000 0.620 58 A CB -1.028 17.799 19.000 -0.289 0.000 0.822 58 A HN 1.046 nan 8.150 nan 0.000 0.443 59 A N -1.556 121.196 122.820 -0.114 0.000 1.969 59 A HA 0.338 4.658 4.320 -0.000 0.000 0.218 59 A C 2.252 179.826 177.584 -0.017 0.000 1.169 59 A CA 1.801 53.824 52.037 -0.023 0.000 0.635 59 A CB -1.311 17.743 19.000 0.088 0.000 0.810 59 A HN 2.014 nan 8.150 nan 0.000 0.445 60 G N -1.118 107.653 108.800 -0.050 0.000 2.596 60 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.304 60 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.304 60 G C 1.239 176.189 174.900 0.083 0.000 1.189 60 G CA 2.059 47.163 45.100 0.006 0.000 0.986 60 G HN 1.438 nan 8.290 nan 0.000 0.548 61 V N -1.121 118.896 119.914 0.172 0.000 2.720 61 V HA 0.031 4.151 4.120 -0.000 0.000 0.256 61 V C 2.833 179.070 176.094 0.238 0.000 1.082 61 V CA 2.895 65.384 62.300 0.315 0.000 1.101 61 V CB -0.735 31.214 31.823 0.210 0.000 0.693 61 V HN 0.566 nan 8.190 nan 0.000 0.479 62 M N -0.256 119.422 119.600 0.131 0.000 2.213 62 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 62 M C 2.096 178.412 176.300 0.027 0.000 1.062 62 M CA 1.971 57.359 55.300 0.146 0.000 1.105 62 M CB -0.416 32.331 32.600 0.244 0.000 1.385 62 M HN 0.388 nan 8.290 nan 0.000 0.417 63 I N -0.409 120.056 120.570 -0.174 0.000 2.567 63 I HA -0.238 3.932 4.170 -0.000 0.000 0.257 63 I C 1.068 176.888 176.117 -0.496 0.000 1.184 63 I CA 1.551 62.600 61.300 -0.418 0.000 1.451 63 I CB -0.087 37.565 38.000 -0.580 0.000 1.089 63 I HN 0.136 nan 8.210 nan 0.000 0.441 64 F N -0.436 119.516 119.950 0.004 0.000 2.749 64 F HA 0.367 4.894 4.527 -0.000 0.000 0.300 64 F C 1.999 177.802 175.800 0.006 0.000 1.103 64 F CA 0.368 58.368 58.000 -0.001 0.000 1.342 64 F CB -0.688 38.316 39.000 0.008 0.000 1.098 64 F HN -0.024 nan 8.300 nan 0.000 0.586 65 A N 0.536 123.439 122.820 0.139 0.000 2.476 65 A HA 0.132 4.452 4.320 -0.000 0.000 0.263 65 A C 0.937 178.560 177.584 0.065 0.000 1.342 65 A CA 0.022 52.128 52.037 0.116 0.000 0.926 65 A CB -0.887 18.196 19.000 0.139 0.000 1.019 65 A HN 0.381 nan 8.150 nan 0.000 0.515 66 E N 0.048 120.256 120.200 0.014 0.000 2.230 66 E HA -0.140 4.210 4.350 -0.000 0.000 0.206 66 E C -2.150 174.417 176.600 -0.055 0.000 1.309 66 E CA 0.331 56.719 56.400 -0.021 0.000 0.697 66 E CB -0.876 28.840 29.700 0.027 0.000 1.146 66 E HN 0.565 nan 8.360 nan 0.000 0.363 67 P HA 0.128 nan 4.420 nan 0.000 0.276 67 P C -0.428 176.665 177.300 -0.345 0.000 1.252 67 P CA -0.162 62.767 63.100 -0.285 0.000 0.802 67 P CB 0.429 31.754 31.700 -0.626 0.000 1.035 68 R N 1.425 121.829 120.500 -0.160 0.000 4.394 68 R HA 0.346 4.686 4.340 -0.000 0.000 0.257 68 R C -0.210 175.762 176.300 -0.547 0.000 1.727 68 R CA -0.077 55.977 56.100 -0.077 0.000 1.497 68 R CB -0.933 29.506 30.300 0.233 0.000 1.406 68 R HN 0.514 nan 8.270 nan 0.000 0.745 69 F N -2.859 116.554 119.950 -0.893 0.000 2.711 69 F HA 0.840 5.367 4.527 -0.000 0.000 0.313 69 F C -0.391 175.091 175.800 -0.530 0.000 1.141 69 F CA -1.136 56.254 58.000 -1.018 0.000 0.941 69 F CB 1.244 39.916 39.000 -0.546 0.000 1.349 69 F HN 0.034 nan 8.300 nan 0.000 0.464 70 G N -0.192 108.633 108.800 0.042 0.000 2.451 70 G HA2 0.522 4.482 3.960 -0.000 0.000 0.292 70 G HA3 0.522 4.482 3.960 -0.000 0.000 0.292 70 G C -2.186 172.851 174.900 0.230 0.000 1.427 70 G CA -0.842 44.383 45.100 0.208 0.000 0.792 70 G HN 0.766 nan 8.290 nan 0.000 0.498 71 T N 0.624 115.277 114.554 0.165 0.000 2.840 71 T HA 0.623 4.973 4.350 -0.000 0.000 0.287 71 T C 0.240 174.995 174.700 0.093 0.000 0.991 71 T CA 0.216 62.386 62.100 0.117 0.000 0.964 71 T CB 1.543 70.460 68.868 0.082 0.000 0.954 71 T HN 1.295 nan 8.240 nan 0.000 0.438 72 A N 3.384 126.253 122.820 0.082 0.000 2.544 72 A HA 0.485 4.805 4.320 -0.000 0.000 0.301 72 A C 0.782 178.386 177.584 0.033 0.000 1.368 72 A CA -0.603 51.465 52.037 0.051 0.000 1.045 72 A CB -0.700 18.325 19.000 0.041 0.000 1.129 72 A HN 0.936 nan 8.150 nan 0.000 0.540 73 V N 3.825 123.757 119.914 0.029 0.000 2.455 73 V HA 0.352 4.472 4.120 -0.000 0.000 0.273 73 V C 0.090 176.189 176.094 0.008 0.000 1.045 73 V CA -0.925 61.387 62.300 0.020 0.000 0.976 73 V CB 0.243 32.079 31.823 0.021 0.000 0.993 73 V HN 0.530 nan 8.190 nan 0.000 0.475 74 L N 5.494 126.718 121.223 0.002 0.000 2.540 74 L HA 0.270 4.610 4.340 -0.000 0.000 0.276 74 L C 0.764 177.632 176.870 -0.005 0.000 1.212 74 L CA 0.887 55.723 54.840 -0.006 0.000 0.893 74 L CB -0.639 41.413 42.059 -0.011 0.000 1.138 74 L HN 0.844 nan 8.230 nan 0.000 0.491 75 E N 2.112 122.308 120.200 -0.007 0.000 2.239 75 E HA 0.182 4.532 4.350 -0.000 0.000 0.261 75 E C 0.475 177.071 176.600 -0.008 0.000 1.016 75 E CA -0.695 55.702 56.400 -0.006 0.000 0.882 75 E CB 1.062 30.759 29.700 -0.004 0.000 1.190 75 E HN 0.485 nan 8.360 nan 0.000 0.415 76 E N 0.802 120.998 120.200 -0.006 0.000 2.097 76 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 76 E C 2.014 178.610 176.600 -0.007 0.000 1.000 76 E CA 1.594 57.990 56.400 -0.006 0.000 0.804 76 E CB 0.093 29.790 29.700 -0.005 0.000 0.740 76 E HN 0.444 nan 8.360 nan 0.000 0.454 77 Q N 0.755 120.551 119.800 -0.007 0.000 2.226 77 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 77 Q C 0.676 176.670 176.000 -0.011 0.000 0.975 77 Q CA 1.439 57.237 55.803 -0.007 0.000 0.866 77 Q CB -0.029 28.706 28.738 -0.005 0.000 0.915 77 Q HN 0.300 nan 8.270 nan 0.000 0.440 78 D N 0.940 121.331 120.400 -0.015 0.000 2.363 78 D HA 0.036 4.675 4.640 -0.000 0.000 0.220 78 D C 1.702 177.985 176.300 -0.028 0.000 0.994 78 D CA 0.366 54.351 54.000 -0.025 0.000 0.890 78 D CB 0.152 40.936 40.800 -0.028 0.000 0.906 78 D HN 0.337 nan 8.370 nan 0.000 0.530 79 L N 0.005 121.217 121.223 -0.019 0.000 2.554 79 L HA 0.215 4.555 4.340 -0.000 0.000 0.226 79 L C 0.787 177.649 176.870 -0.013 0.000 1.137 79 L CA -0.004 54.826 54.840 -0.016 0.000 0.863 79 L CB 0.080 42.132 42.059 -0.011 0.000 0.985 79 L HN -0.126 nan 8.230 nan 0.000 0.451 80 A N -0.206 122.607 122.820 -0.012 0.000 2.459 80 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 80 A C 0.072 177.653 177.584 -0.005 0.000 1.039 80 A CA 0.035 52.069 52.037 -0.007 0.000 0.698 80 A CB 1.325 20.324 19.000 -0.003 0.000 1.261 80 A HN 0.157 nan 8.150 nan 0.000 0.405 81 G N 1.250 110.050 108.800 0.000 0.000 2.897 81 G HA2 0.105 4.065 3.960 -0.000 0.000 0.436 81 G HA3 0.105 4.065 3.960 -0.000 0.000 0.436 81 G C 0.032 174.936 174.900 0.007 0.000 1.079 81 G CA -0.125 44.980 45.100 0.008 0.000 1.090 81 G HN 1.063 nan 8.290 nan 0.000 0.480 82 L N 1.859 123.098 121.223 0.025 0.000 2.056 82 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 82 L C 3.209 180.154 176.870 0.125 0.000 1.078 82 L CA 3.152 58.017 54.840 0.042 0.000 0.749 82 L CB -1.288 40.826 42.059 0.092 0.000 0.901 82 L HN 1.043 nan 8.230 nan 0.000 0.433 83 A N -0.831 122.068 122.820 0.131 0.000 1.933 83 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 83 A C 1.990 179.637 177.584 0.105 0.000 1.175 83 A CA 1.891 54.013 52.037 0.141 0.000 0.628 83 A CB -0.537 18.507 19.000 0.074 0.000 0.814 83 A HN 0.412 nan 8.150 nan 0.000 0.444 84 D N -0.159 120.273 120.400 0.054 0.000 2.149 84 D HA 0.048 4.688 4.640 -0.000 0.000 0.201 84 D C 2.209 178.517 176.300 0.014 0.000 0.972 84 D CA 1.302 55.320 54.000 0.031 0.000 0.835 84 D CB -0.364 40.445 40.800 0.015 0.000 0.966 84 D HN 0.416 nan 8.370 nan 0.000 0.476 85 A N 0.750 123.556 122.820 -0.024 0.000 1.930 85 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 85 A C 1.905 179.429 177.584 -0.101 0.000 1.175 85 A CA 1.178 53.162 52.037 -0.089 0.000 0.627 85 A CB -0.716 18.186 19.000 -0.162 0.000 0.815 85 A HN 0.279 nan 8.150 nan 0.000 0.443 86 H N 0.150 119.225 119.070 0.007 0.000 2.387 86 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 86 H C 1.884 177.217 175.328 0.007 0.000 1.090 86 H CA 1.689 57.742 56.048 0.008 0.000 1.332 86 H CB -0.102 29.664 29.762 0.007 0.000 1.386 86 H HN 0.543 nan 8.280 nan 0.000 0.516 87 K N 0.458 120.929 120.400 0.118 0.000 2.097 87 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 87 K C 2.190 178.814 176.600 0.041 0.000 1.050 87 K CA 1.231 57.557 56.287 0.065 0.000 0.938 87 K CB 0.119 32.647 32.500 0.046 0.000 0.718 87 K HN 0.154 nan 8.250 nan 0.000 0.442 88 E N 1.751 121.967 120.200 0.026 0.000 2.072 88 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 88 E C 1.857 178.464 176.600 0.012 0.000 0.985 88 E CA 0.780 57.186 56.400 0.011 0.000 0.801 88 E CB -0.227 29.471 29.700 -0.003 0.000 0.750 88 E HN 0.161 nan 8.360 nan 0.000 0.452 89 L N 0.540 121.772 121.223 0.015 0.000 2.012 89 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 89 L C 1.505 178.395 176.870 0.033 0.000 1.073 89 L CA 2.273 57.126 54.840 0.020 0.000 0.748 89 L CB -0.505 41.571 42.059 0.029 0.000 0.891 89 L HN 0.211 nan 8.230 nan 0.000 0.431 90 D N -0.445 119.986 120.400 0.052 0.000 2.123 90 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 90 D C 2.308 178.638 176.300 0.050 0.000 0.992 90 D CA 1.051 55.087 54.000 0.060 0.000 0.833 90 D CB -0.115 40.723 40.800 0.063 0.000 0.954 90 D HN 0.264 nan 8.370 nan 0.000 0.455 91 R N 0.447 120.966 120.500 0.032 0.000 2.081 91 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 91 R C 1.986 178.290 176.300 0.008 0.000 1.131 91 R CA 0.839 56.951 56.100 0.021 0.000 0.960 91 R CB -0.095 30.213 30.300 0.013 0.000 0.856 91 R HN 0.247 nan 8.270 nan 0.000 0.436 92 E N 0.296 120.497 120.200 0.002 0.000 2.106 92 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 92 E C 2.164 178.741 176.600 -0.039 0.000 0.984 92 E CA 0.832 57.224 56.400 -0.014 0.000 0.806 92 E CB -0.102 29.594 29.700 -0.006 0.000 0.750 92 E HN 0.101 nan 8.360 nan 0.000 0.458 93 V N 1.562 121.455 119.914 -0.035 0.000 2.358 93 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 93 V C 2.450 178.473 176.094 -0.118 0.000 1.047 93 V CA 1.675 63.922 62.300 -0.089 0.000 1.035 93 V CB -0.817 30.964 31.823 -0.071 0.000 0.658 93 V HN 0.227 nan 8.190 nan 0.000 0.452 94 A N -0.503 122.312 122.820 -0.010 0.000 1.940 94 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 94 A C 2.317 179.898 177.584 -0.004 0.000 1.176 94 A CA 2.276 54.352 52.037 0.065 0.000 0.631 94 A CB -0.446 18.627 19.000 0.121 0.000 0.814 94 A HN 0.517 nan 8.150 nan 0.000 0.446 95 K N -0.756 119.626 120.400 -0.030 0.000 2.103 95 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 95 K C 1.953 178.504 176.600 -0.081 0.000 1.052 95 K CA 0.814 57.075 56.287 -0.042 0.000 0.945 95 K CB -0.166 32.314 32.500 -0.034 0.000 0.722 95 K HN 0.456 nan 8.250 nan 0.000 0.443 96 L N 0.793 121.940 121.223 -0.127 0.000 2.027 96 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 96 L C 1.846 178.589 176.870 -0.211 0.000 1.074 96 L CA 1.413 56.131 54.840 -0.203 0.000 0.745 96 L CB -0.382 41.498 42.059 -0.298 0.000 0.898 96 L HN 0.207 nan 8.230 nan 0.000 0.433 97 L N 0.454 121.550 121.223 -0.212 0.000 2.056 97 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 97 L C 2.705 179.517 176.870 -0.096 0.000 1.078 97 L CA 1.500 56.226 54.840 -0.189 0.000 0.749 97 L CB -1.244 40.626 42.059 -0.315 0.000 0.901 97 L HN 0.345 nan 8.230 nan 0.000 0.433 98 E N 0.041 120.203 120.200 -0.062 0.000 2.130 98 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 98 E C 2.254 178.827 176.600 -0.045 0.000 0.998 98 E CA 1.279 57.659 56.400 -0.034 0.000 0.806 98 E CB 0.090 29.780 29.700 -0.016 0.000 0.738 98 E HN 0.446 nan 8.360 nan 0.000 0.459 99 R N -0.557 119.907 120.500 -0.060 0.000 2.153 99 R HA 0.080 4.420 4.340 -0.000 0.000 0.218 99 R C 0.661 176.931 176.300 -0.051 0.000 1.072 99 R CA 0.387 56.455 56.100 -0.054 0.000 0.990 99 R CB 0.312 30.575 30.300 -0.063 0.000 0.889 99 R HN -0.130 nan 8.270 nan 0.000 0.452 100 R N 0.985 121.446 120.500 -0.066 0.000 2.587 100 R HA 0.182 4.522 4.340 -0.000 0.000 0.283 100 R C -2.105 174.195 176.300 -0.000 0.000 1.472 100 R CA -1.571 54.501 56.100 -0.046 0.000 1.578 100 R CB 1.257 31.498 30.300 -0.099 0.000 1.130 100 R HN 0.070 nan 8.270 nan 0.000 0.602 101 P HA -0.149 nan 4.420 nan 0.000 0.225 101 P C 0.533 177.960 177.300 0.210 0.000 1.148 101 P CA 1.043 64.195 63.100 0.085 0.000 0.779 101 P CB 0.315 32.018 31.700 0.005 0.000 0.780 102 D N 0.011 120.480 120.400 0.116 0.000 2.269 102 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 102 D C 0.902 177.252 176.300 0.084 0.000 0.963 102 D CA 0.156 54.219 54.000 0.104 0.000 0.864 102 D CB -0.627 40.223 40.800 0.084 0.000 0.936 102 D HN 0.237 nan 8.370 nan 0.000 0.505 103 I N 1.625 122.241 120.570 0.075 0.000 2.452 103 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 103 I C 1.381 177.475 176.117 -0.039 0.000 1.079 103 I CA -0.314 61.013 61.300 0.045 0.000 1.387 103 I CB 0.893 38.903 38.000 0.017 0.000 1.404 103 I HN -0.214 nan 8.210 nan 0.000 0.522 104 R N 4.136 124.595 120.500 -0.069 0.000 2.287 104 R HA 0.228 4.568 4.340 -0.000 0.000 0.197 104 R C -0.007 176.225 176.300 -0.113 0.000 0.900 104 R CA 0.281 56.279 56.100 -0.169 0.000 1.052 104 R CB 0.171 30.375 30.300 -0.160 0.000 1.117 104 R HN 0.606 nan 8.270 nan 0.000 0.568 105 Q N 1.035 120.807 119.800 -0.046 0.000 2.325 105 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 105 Q C -1.468 174.464 176.000 -0.114 0.000 1.020 105 Q CA -0.677 55.074 55.803 -0.086 0.000 0.785 105 Q CB 2.470 31.229 28.738 0.035 0.000 1.259 105 Q HN -0.119 nan 8.270 nan 0.000 0.452 106 L N 3.366 124.449 121.223 -0.232 0.000 2.325 106 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 106 L C -1.765 174.975 176.870 -0.218 0.000 1.004 106 L CA -0.169 54.599 54.840 -0.120 0.000 0.823 106 L CB 0.666 42.667 42.059 -0.098 0.000 1.236 106 L HN 0.450 nan 8.230 nan 0.000 0.415 107 F N 5.721 125.676 119.950 0.009 0.000 2.404 107 F HA 0.450 4.977 4.527 -0.000 0.000 0.354 107 F C -0.101 175.731 175.800 0.053 0.000 1.122 107 F CA -0.576 57.469 58.000 0.076 0.000 1.080 107 F CB 1.057 40.085 39.000 0.046 0.000 1.131 107 F HN 0.216 nan 8.300 nan 0.000 0.471 108 L N 5.124 126.447 121.223 0.167 0.000 2.278 108 L HA 0.410 4.750 4.340 -0.000 0.000 0.287 108 L C -0.560 176.282 176.870 -0.046 0.000 1.072 108 L CA -0.720 54.165 54.840 0.075 0.000 0.819 108 L CB 0.552 42.646 42.059 0.057 0.000 1.176 108 L HN 0.306 nan 8.230 nan 0.000 0.435 109 V N 2.604 122.451 119.914 -0.113 0.000 2.370 109 V HA 0.426 4.546 4.120 -0.000 0.000 0.279 109 V C 0.876 176.862 176.094 -0.179 0.000 1.029 109 V CA -0.634 61.465 62.300 -0.335 0.000 0.870 109 V CB 1.322 32.934 31.823 -0.351 0.000 0.984 109 V HN 0.850 nan 8.190 nan 0.000 0.451 110 G N 3.579 112.275 108.800 -0.173 0.000 2.442 110 G HA2 0.511 4.471 3.960 -0.000 0.000 0.249 110 G HA3 0.511 4.471 3.960 -0.000 0.000 0.249 110 G C 0.136 175.004 174.900 -0.054 0.000 1.263 110 G CA 0.270 45.328 45.100 -0.071 0.000 0.846 110 G HN 0.940 nan 8.290 nan 0.000 0.555 111 S N -0.120 115.565 115.700 -0.026 0.000 2.740 111 S HA 0.314 4.784 4.470 -0.000 0.000 0.300 111 S C 1.212 175.813 174.600 0.002 0.000 1.147 111 S CA -0.313 57.880 58.200 -0.012 0.000 0.871 111 S CB 1.162 64.356 63.200 -0.011 0.000 1.173 111 S HN 0.553 nan 8.310 nan 0.000 0.510 112 C N 1.257 120.562 119.300 0.009 0.000 2.413 112 C HA 0.068 4.528 4.460 -0.000 0.000 0.277 112 C C -0.450 174.545 174.990 0.008 0.000 1.228 112 C CA 1.463 60.489 59.018 0.013 0.000 1.731 112 C CB -2.232 25.519 27.740 0.018 0.000 2.042 112 C HN 0.755 nan 8.230 nan 0.000 0.468 113 P HA -0.113 nan 4.420 nan 0.000 0.215 113 P C 1.922 179.219 177.300 -0.005 0.000 1.157 113 P CA 2.632 65.733 63.100 0.000 0.000 0.868 113 P CB -0.305 31.395 31.700 -0.001 0.000 0.788 114 S N -0.540 115.155 115.700 -0.008 0.000 2.382 114 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 114 S C 1.944 176.541 174.600 -0.005 0.000 1.027 114 S CA 1.325 59.517 58.200 -0.014 0.000 0.991 114 S CB -1.131 62.059 63.200 -0.016 0.000 0.823 114 S HN 0.165 nan 8.310 nan 0.000 0.469 115 E N 0.504 120.707 120.200 0.004 0.000 2.072 115 E HA 0.004 4.354 4.350 -0.000 0.000 0.190 115 E C 2.101 178.710 176.600 0.014 0.000 0.982 115 E CA 1.024 57.432 56.400 0.014 0.000 0.803 115 E CB -0.169 29.542 29.700 0.018 0.000 0.755 115 E HN 0.400 nan 8.360 nan 0.000 0.453 116 V N 1.356 121.276 119.914 0.010 0.000 2.490 116 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 116 V C 2.110 178.208 176.094 0.007 0.000 1.061 116 V CA 1.282 63.588 62.300 0.010 0.000 1.064 116 V CB -0.320 31.508 31.823 0.009 0.000 0.670 116 V HN 0.311 nan 8.190 nan 0.000 0.461 117 L N -0.342 120.881 121.223 -0.001 0.000 2.465 117 L HA -0.009 4.331 4.340 -0.000 0.000 0.224 117 L C 1.177 178.046 176.870 -0.002 0.000 1.145 117 L CA 0.606 55.441 54.840 -0.008 0.000 0.834 117 L CB -0.460 41.583 42.059 -0.026 0.000 0.944 117 L HN 0.371 nan 8.230 nan 0.000 0.451 118 K N 0.339 120.745 120.400 0.010 0.000 3.071 118 K HA -0.187 4.133 4.320 -0.000 0.000 0.265 118 K C -0.143 176.482 176.600 0.042 0.000 1.060 118 K CA 0.397 56.702 56.287 0.029 0.000 0.767 118 K CB -2.094 30.427 32.500 0.035 0.000 1.241 118 K HN 0.322 nan 8.250 nan 0.000 0.486 119 L N 1.720 122.947 121.223 0.006 0.000 2.530 119 L HA 0.024 4.364 4.340 -0.000 0.000 0.273 119 L C 0.874 177.810 176.870 0.110 0.000 1.141 119 L CA -0.085 54.744 54.840 -0.018 0.000 0.905 119 L CB 0.179 42.175 42.059 -0.105 0.000 1.202 119 L HN 0.060 nan 8.230 nan 0.000 0.473 120 D N 4.063 124.627 120.400 0.273 0.000 2.455 120 D HA 0.041 4.681 4.640 -0.000 0.000 0.234 120 D C 0.755 177.190 176.300 0.224 0.000 1.224 120 D CA -0.232 53.891 54.000 0.204 0.000 0.999 120 D CB 0.913 41.788 40.800 0.124 0.000 1.072 120 D HN 0.275 nan 8.370 nan 0.000 0.514 121 L N 2.847 124.154 121.223 0.141 0.000 2.240 121 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 121 L C 1.718 178.641 176.870 0.087 0.000 1.106 121 L CA 0.902 55.810 54.840 0.113 0.000 0.793 121 L CB -0.438 41.663 42.059 0.070 0.000 0.927 121 L HN 0.279 nan 8.230 nan 0.000 0.446 122 D N -0.466 119.982 120.400 0.080 0.000 2.123 122 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 122 D C 2.340 178.664 176.300 0.040 0.000 0.992 122 D CA 1.106 55.147 54.000 0.068 0.000 0.833 122 D CB 0.031 40.870 40.800 0.066 0.000 0.954 122 D HN 0.239 nan 8.370 nan 0.000 0.455 123 R N 0.412 120.926 120.500 0.024 0.000 2.093 123 R HA 0.037 4.377 4.340 -0.000 0.000 0.224 123 R C 2.075 178.360 176.300 -0.026 0.000 1.101 123 R CA 1.177 57.264 56.100 -0.020 0.000 0.979 123 R CB -0.089 30.170 30.300 -0.069 0.000 0.877 123 R HN 0.075 nan 8.270 nan 0.000 0.441 124 A N 1.065 123.893 122.820 0.014 0.000 1.883 124 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 124 A C 2.398 179.996 177.584 0.024 0.000 1.186 124 A CA 1.733 53.798 52.037 0.046 0.000 0.624 124 A CB -0.908 18.174 19.000 0.135 0.000 0.822 124 A HN 0.540 nan 8.150 nan 0.000 0.444 125 A N -0.113 122.720 122.820 0.021 0.000 1.883 125 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 125 A C 1.976 179.535 177.584 -0.042 0.000 1.186 125 A CA 2.234 54.263 52.037 -0.013 0.000 0.624 125 A CB -0.593 18.413 19.000 0.009 0.000 0.822 125 A HN 0.641 nan 8.150 nan 0.000 0.444 126 E N 0.566 120.750 120.200 -0.026 0.000 2.058 126 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 126 E C 2.168 178.746 176.600 -0.036 0.000 0.997 126 E CA 2.049 58.429 56.400 -0.034 0.000 0.801 126 E CB -0.307 29.380 29.700 -0.022 0.000 0.746 126 E HN 0.691 nan 8.360 nan 0.000 0.450 127 R N -0.274 120.209 120.500 -0.028 0.000 2.115 127 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 127 R C 1.840 178.133 176.300 -0.010 0.000 1.100 127 R CA 1.122 57.206 56.100 -0.027 0.000 0.980 127 R CB -0.265 30.016 30.300 -0.032 0.000 0.875 127 R HN 0.213 nan 8.270 nan 0.000 0.445 128 L N 1.179 122.410 121.223 0.012 0.000 2.109 128 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 128 L C 2.251 179.161 176.870 0.067 0.000 1.086 128 L CA 1.439 56.326 54.840 0.078 0.000 0.760 128 L CB -0.957 41.144 42.059 0.070 0.000 0.910 128 L HN 0.220 nan 8.230 nan 0.000 0.437 129 S N -0.101 115.581 115.700 -0.030 0.000 2.370 129 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 129 S C 1.986 176.559 174.600 -0.044 0.000 1.033 129 S CA 1.249 59.405 58.200 -0.073 0.000 1.011 129 S CB -0.554 62.562 63.200 -0.140 0.000 0.852 129 S HN 0.587 nan 8.310 nan 0.000 0.457 130 G N 0.958 109.732 108.800 -0.043 0.000 2.408 130 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 130 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 130 G C 1.329 176.190 174.900 -0.064 0.000 1.150 130 G CA 0.544 45.615 45.100 -0.048 0.000 0.776 130 G HN 0.358 nan 8.290 nan 0.000 0.542 131 L N -0.439 120.735 121.223 -0.083 0.000 2.072 131 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 131 L C 2.131 178.826 176.870 -0.291 0.000 1.079 131 L CA 1.421 56.139 54.840 -0.203 0.000 0.752 131 L CB -0.321 41.576 42.059 -0.270 0.000 0.906 131 L HN 0.291 nan 8.230 nan 0.000 0.436 132 H N -1.519 117.525 119.070 -0.042 0.000 2.549 132 H HA 0.456 5.012 4.556 -0.000 0.000 0.279 132 H C 0.758 176.074 175.328 -0.019 0.000 1.018 132 H CA 0.112 56.143 56.048 -0.029 0.000 1.175 132 H CB 0.057 29.799 29.762 -0.034 0.000 1.485 132 H HN 0.239 nan 8.280 nan 0.000 0.543 133 A N 1.864 124.705 122.820 0.035 0.000 2.483 133 A HA 0.134 4.454 4.320 -0.000 0.000 0.238 133 A C -0.903 176.696 177.584 0.025 0.000 1.070 133 A CA -0.835 51.209 52.037 0.012 0.000 0.770 133 A CB 0.191 19.178 19.000 -0.021 0.000 1.008 133 A HN 0.261 nan 8.150 nan 0.000 0.497 134 P HA 0.033 nan 4.420 nan 0.000 0.261 134 P C 0.868 178.194 177.300 0.044 0.000 1.268 134 P CA 0.544 63.659 63.100 0.025 0.000 0.833 134 P CB 0.055 31.766 31.700 0.019 0.000 1.231 135 H N 0.639 119.704 119.070 -0.008 0.000 2.357 135 H HA 0.053 4.609 4.556 -0.000 0.000 0.301 135 H C -0.290 175.026 175.328 -0.020 0.000 1.082 135 H CA 1.068 57.112 56.048 -0.006 0.000 1.342 135 H CB 0.520 30.285 29.762 0.004 0.000 1.389 135 H HN -0.117 nan 8.280 nan 0.000 0.511 136 V N 2.312 122.229 119.914 0.004 0.000 2.444 136 V HA 0.305 4.425 4.120 -0.000 0.000 0.294 136 V C 0.088 176.106 176.094 -0.128 0.000 1.022 136 V CA -0.725 61.523 62.300 -0.088 0.000 0.850 136 V CB 2.091 33.886 31.823 -0.046 0.000 0.992 136 V HN 0.181 nan 8.190 nan 0.000 0.426 137 R N 2.735 123.104 120.500 -0.220 0.000 2.297 137 R HA 0.688 5.028 4.340 -0.000 0.000 0.308 137 R C -0.903 175.065 176.300 -0.553 0.000 1.029 137 R CA -0.283 55.591 56.100 -0.377 0.000 0.929 137 R CB 1.764 31.802 30.300 -0.436 0.000 1.046 137 R HN 0.614 nan 8.270 nan 0.000 0.461 138 V N 5.345 124.931 119.914 -0.547 0.000 2.555 138 V HA 0.521 4.641 4.120 -0.000 0.000 0.302 138 V C -1.571 174.181 176.094 -0.570 0.000 1.038 138 V CA -0.465 61.541 62.300 -0.490 0.000 0.887 138 V CB 1.325 33.013 31.823 -0.225 0.000 0.991 138 V HN 0.713 nan 8.190 nan 0.000 0.434 139 Y N 3.267 123.411 120.300 -0.260 0.000 2.621 139 Y HA 0.792 5.342 4.550 -0.000 0.000 0.334 139 Y C 0.481 176.397 175.900 0.027 0.000 1.074 139 Y CA -0.593 57.430 58.100 -0.128 0.000 1.149 139 Y CB 2.186 40.520 38.460 -0.212 0.000 1.302 139 Y HN 0.721 nan 8.280 nan 0.000 0.501 140 S N 0.908 116.795 115.700 0.311 0.000 2.547 140 S HA 0.740 5.210 4.470 -0.000 0.000 0.281 140 S C -1.864 172.944 174.600 0.346 0.000 1.118 140 S CA -0.475 57.871 58.200 0.244 0.000 0.947 140 S CB 0.502 63.785 63.200 0.139 0.000 1.053 140 S HN 0.605 nan 8.310 nan 0.000 0.482 141 Y N 0.072 120.479 120.300 0.179 0.000 2.609 141 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 141 Y C -0.543 175.413 175.900 0.092 0.000 1.129 141 Y CA -0.969 57.207 58.100 0.128 0.000 1.040 141 Y CB 1.062 39.599 38.460 0.129 0.000 1.310 141 Y HN 0.471 nan 8.280 nan 0.000 0.460 142 T N 0.920 115.584 114.554 0.183 0.000 2.806 142 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 142 T C 0.579 175.358 174.700 0.132 0.000 0.966 142 T CA 0.238 62.382 62.100 0.073 0.000 1.060 142 T CB 0.339 69.251 68.868 0.074 0.000 0.927 142 T HN 1.135 nan 8.240 nan 0.000 0.485 143 G N 2.702 111.511 108.800 0.014 0.000 3.735 143 G HA2 0.265 4.225 3.960 -0.000 0.000 0.283 143 G HA3 0.265 4.225 3.960 -0.000 0.000 0.283 143 G C 0.428 175.343 174.900 0.024 0.000 1.007 143 G CA -0.065 45.064 45.100 0.048 0.000 0.821 143 G HN 0.888 nan 8.290 nan 0.000 0.505 144 S N -0.516 115.198 115.700 0.023 0.000 2.579 144 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 144 S C 1.711 176.337 174.600 0.042 0.000 1.345 144 S CA 0.382 58.597 58.200 0.024 0.000 1.031 144 S CB 1.687 64.899 63.200 0.020 0.000 0.892 144 S HN 0.290 nan 8.310 nan 0.000 0.529 145 G N 1.129 109.956 108.800 0.045 0.000 2.470 145 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.220 145 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.220 145 G C 1.144 176.073 174.900 0.049 0.000 1.121 145 G CA 0.565 45.699 45.100 0.055 0.000 0.766 145 G HN 0.724 nan 8.290 nan 0.000 0.553 146 L N -0.123 121.124 121.223 0.040 0.000 2.201 146 L HA 0.040 4.380 4.340 -0.000 0.000 0.212 146 L C 1.782 178.675 176.870 0.038 0.000 1.105 146 L CA 0.940 55.803 54.840 0.037 0.000 0.775 146 L CB -0.073 42.004 42.059 0.031 0.000 0.913 146 L HN 0.056 nan 8.230 nan 0.000 0.440 147 D N -1.640 118.783 120.400 0.039 0.000 2.482 147 D HA 0.066 4.706 4.640 -0.000 0.000 0.251 147 D C 0.786 177.102 176.300 0.026 0.000 1.073 147 D CA 0.758 54.777 54.000 0.032 0.000 0.892 147 D CB 0.753 41.574 40.800 0.036 0.000 1.202 147 D HN 0.252 nan 8.370 nan 0.000 0.496 148 T N -1.968 112.613 114.554 0.045 0.000 2.906 148 T HA 0.677 5.027 4.350 -0.000 0.000 0.295 148 T C -0.520 174.234 174.700 0.089 0.000 1.061 148 T CA -0.649 61.482 62.100 0.052 0.000 1.000 148 T CB 2.351 71.254 68.868 0.058 0.000 1.103 148 T HN -0.268 nan 8.240 nan 0.000 0.486 149 T N 2.893 117.515 114.554 0.113 0.000 2.815 149 T HA 0.508 4.858 4.350 -0.000 0.000 0.289 149 T C 0.174 175.035 174.700 0.269 0.000 1.000 149 T CA -0.517 61.695 62.100 0.186 0.000 0.958 149 T CB 0.326 69.303 68.868 0.182 0.000 0.944 149 T HN 0.807 nan 8.240 nan 0.000 0.442 150 F N 2.053 122.077 119.950 0.123 0.000 2.478 150 F HA -0.440 4.087 4.527 -0.000 0.000 0.218 150 F C 2.418 178.254 175.800 0.060 0.000 1.459 150 F CA 2.216 60.308 58.000 0.153 0.000 2.000 150 F CB -1.047 38.083 39.000 0.216 0.000 0.456 150 F HN 0.628 nan 8.300 nan 0.000 0.231 151 T N -0.679 113.704 114.554 -0.285 0.000 2.897 151 T HA -0.223 4.127 4.350 -0.000 0.000 0.271 151 T C 1.279 175.668 174.700 -0.519 0.000 1.084 151 T CA 1.699 63.347 62.100 -0.753 0.000 1.123 151 T CB -0.529 67.294 68.868 -1.742 0.000 0.865 151 T HN 0.672 nan 8.240 nan 0.000 0.496 152 Q N 0.738 120.433 119.800 -0.175 0.000 2.368 152 Q HA -0.002 4.338 4.340 -0.000 0.000 0.210 152 Q C 2.601 178.586 176.000 -0.025 0.000 0.982 152 Q CA 1.047 56.834 55.803 -0.026 0.000 0.884 152 Q CB -0.550 28.194 28.738 0.009 0.000 0.933 152 Q HN 0.781 nan 8.270 nan 0.000 0.460 153 G N 1.075 109.840 108.800 -0.058 0.000 2.422 153 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 153 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 153 G C 1.174 175.955 174.900 -0.198 0.000 1.146 153 G CA 0.771 45.835 45.100 -0.060 0.000 0.769 153 G HN 0.412 nan 8.290 nan 0.000 0.547 154 E N 0.319 120.405 120.200 -0.190 0.000 2.077 154 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 154 E C 2.002 178.556 176.600 -0.078 0.000 0.989 154 E CA 1.273 57.599 56.400 -0.124 0.000 0.800 154 E CB -0.150 29.677 29.700 0.212 0.000 0.746 154 E HN 0.343 nan 8.360 nan 0.000 0.452 155 D N -0.316 120.109 120.400 0.042 0.000 2.097 155 D HA -0.159 4.480 4.640 -0.000 0.000 0.195 155 D C 2.080 178.345 176.300 -0.058 0.000 0.989 155 D CA 2.499 56.529 54.000 0.051 0.000 0.827 155 D CB -0.355 40.525 40.800 0.134 0.000 0.966 155 D HN 0.334 nan 8.370 nan 0.000 0.456 156 T N -1.809 112.698 114.554 -0.078 0.000 2.788 156 T HA -0.201 4.148 4.350 -0.000 0.000 0.268 156 T C 2.484 176.998 174.700 -0.311 0.000 1.044 156 T CA 1.320 63.380 62.100 -0.067 0.000 1.139 156 T CB -1.274 67.662 68.868 0.114 0.000 0.867 156 T HN 0.340 nan 8.240 nan 0.000 0.454 157 C N 1.390 120.194 119.300 -0.827 0.000 2.413 157 C HA 0.055 4.515 4.460 -0.000 0.000 0.278 157 C C 2.716 177.428 174.990 -0.463 0.000 1.224 157 C CA 0.728 59.025 59.018 -1.202 0.000 1.732 157 C CB -1.612 25.369 27.740 -1.265 0.000 2.050 157 C HN 0.658 nan 8.230 nan 0.000 0.463 158 L N 1.323 122.363 121.223 -0.306 0.000 2.083 158 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 158 L C 3.038 179.832 176.870 -0.128 0.000 1.083 158 L CA 1.719 56.455 54.840 -0.173 0.000 0.752 158 L CB -0.954 41.040 42.059 -0.109 0.000 0.899 158 L HN 0.506 nan 8.230 nan 0.000 0.433 159 A N 0.144 122.902 122.820 -0.104 0.000 1.972 159 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 159 A C 2.517 180.088 177.584 -0.022 0.000 1.169 159 A CA 1.579 53.584 52.037 -0.055 0.000 0.635 159 A CB -0.527 18.459 19.000 -0.023 0.000 0.810 159 A HN 0.407 nan 8.150 nan 0.000 0.446 160 A N -0.562 122.251 122.820 -0.012 0.000 2.015 160 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 160 A C 2.137 179.735 177.584 0.023 0.000 1.163 160 A CA 1.538 53.620 52.037 0.075 0.000 0.646 160 A CB -0.484 18.637 19.000 0.201 0.000 0.806 160 A HN 0.548 nan 8.150 nan 0.000 0.448 161 M N -0.935 118.578 119.600 -0.144 0.000 2.349 161 M HA -0.039 4.441 4.480 -0.000 0.000 0.266 161 M C 1.894 178.179 176.300 -0.024 0.000 1.076 161 M CA 0.667 55.831 55.300 -0.226 0.000 1.126 161 M CB -0.221 32.208 32.600 -0.285 0.000 1.392 161 M HN 0.199 nan 8.290 nan 0.000 0.440 162 V N 1.129 121.026 119.914 -0.029 0.000 2.295 162 V HA -0.156 3.963 4.120 -0.000 0.000 0.246 162 V C -0.585 175.514 176.094 0.008 0.000 1.049 162 V CA 1.910 64.193 62.300 -0.029 0.000 1.024 162 V CB -1.924 29.859 31.823 -0.066 0.000 0.648 162 V HN 0.274 nan 8.190 nan 0.000 0.447 163 P HA -0.134 nan 4.420 nan 0.000 0.221 163 P C 1.669 179.001 177.300 0.052 0.000 1.145 163 P CA 1.987 65.111 63.100 0.041 0.000 0.795 163 P CB -0.189 31.544 31.700 0.055 0.000 0.775 164 T N -4.194 110.412 114.554 0.086 0.000 3.044 164 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 164 T C 0.693 175.438 174.700 0.075 0.000 1.081 164 T CA -0.119 62.039 62.100 0.097 0.000 1.040 164 T CB -0.770 68.210 68.868 0.187 0.000 0.962 164 T HN -0.107 nan 8.240 nan 0.000 0.506 165 L N 2.578 123.834 121.223 0.056 0.000 2.506 165 L HA 0.206 4.546 4.340 -0.000 0.000 0.281 165 L C 0.431 177.317 176.870 0.027 0.000 1.228 165 L CA -0.442 54.419 54.840 0.036 0.000 0.850 165 L CB 0.152 42.219 42.059 0.013 0.000 1.110 165 L HN 0.243 nan 8.230 nan 0.000 0.496 166 D N 0.702 121.116 120.400 0.024 0.000 2.419 166 D HA -0.000 4.640 4.640 -0.000 0.000 0.236 166 D C 0.217 176.527 176.300 0.016 0.000 1.165 166 D CA 0.298 54.310 54.000 0.019 0.000 0.882 166 D CB 0.804 41.614 40.800 0.018 0.000 1.201 166 D HN 0.447 nan 8.370 nan 0.000 0.443 167 T N 0.115 114.678 114.554 0.015 0.000 2.909 167 T HA 0.451 4.801 4.350 -0.000 0.000 0.286 167 T C -0.328 174.381 174.700 0.015 0.000 1.002 167 T CA -0.127 61.981 62.100 0.014 0.000 1.074 167 T CB 0.847 69.723 68.868 0.013 0.000 0.984 167 T HN 0.309 nan 8.240 nan 0.000 0.495 168 T N 1.434 115.998 114.554 0.017 0.000 2.885 168 T HA 0.354 4.704 4.350 -0.000 0.000 0.322 168 T C 0.213 174.924 174.700 0.019 0.000 1.387 168 T CA -0.489 61.622 62.100 0.018 0.000 1.041 168 T CB 1.611 70.492 68.868 0.021 0.000 1.287 168 T HN 0.791 nan 8.240 nan 0.000 0.491 169 E N 1.812 122.023 120.200 0.017 0.000 2.481 169 E HA 0.534 4.884 4.350 -0.000 0.000 0.198 169 E C 0.734 177.345 176.600 0.019 0.000 1.027 169 E CA -0.336 56.073 56.400 0.016 0.000 0.900 169 E CB 0.369 30.076 29.700 0.012 0.000 0.993 169 E HN 0.623 nan 8.360 nan 0.000 0.482 170 A N 1.358 124.192 122.820 0.024 0.000 2.520 170 A HA 0.421 4.741 4.320 -0.000 0.000 0.235 170 A C 0.639 178.247 177.584 0.039 0.000 1.065 170 A CA 0.359 52.414 52.037 0.030 0.000 0.764 170 A CB 0.247 19.266 19.000 0.033 0.000 1.002 170 A HN 0.431 nan 8.150 nan 0.000 0.502 171 A N 2.924 125.772 122.820 0.046 0.000 3.215 171 A HA 0.444 4.764 4.320 -0.000 0.000 0.269 171 A C 0.265 177.921 177.584 0.120 0.000 1.517 171 A CA -0.369 51.701 52.037 0.056 0.000 1.221 171 A CB -0.488 18.524 19.000 0.021 0.000 1.160 171 A HN 0.849 nan 8.150 nan 0.000 0.620 172 E N 0.106 120.373 120.200 0.111 0.000 2.280 172 E HA 0.427 4.777 4.350 -0.000 0.000 0.264 172 E C -0.686 176.011 176.600 0.161 0.000 1.064 172 E CA -0.662 55.813 56.400 0.125 0.000 0.900 172 E CB 1.533 31.277 29.700 0.073 0.000 1.123 172 E HN 0.477 nan 8.360 nan 0.000 0.418 173 L N 2.863 124.163 121.223 0.128 0.000 2.289 173 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 173 L C -0.949 175.975 176.870 0.089 0.000 1.049 173 L CA -0.448 54.462 54.840 0.116 0.000 0.804 173 L CB 0.600 42.653 42.059 -0.011 0.000 1.195 173 L HN 0.479 nan 8.230 nan 0.000 0.428 174 I N 5.078 125.727 120.570 0.132 0.000 2.362 174 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 174 I C -0.305 175.906 176.117 0.157 0.000 0.994 174 I CA -0.739 60.635 61.300 0.123 0.000 1.158 174 I CB 1.927 39.993 38.000 0.110 0.000 1.315 174 I HN 0.209 nan 8.210 nan 0.000 0.451 175 V N 7.395 127.390 119.914 0.134 0.000 2.406 175 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 175 V C 0.149 176.328 176.094 0.141 0.000 1.043 175 V CA -0.556 61.859 62.300 0.191 0.000 0.915 175 V CB 1.487 33.448 31.823 0.231 0.000 0.988 175 V HN 0.400 nan 8.190 nan 0.000 0.466 176 V N 3.855 123.870 119.914 0.168 0.000 2.435 176 V HA 0.986 5.106 4.120 -0.000 0.000 0.290 176 V C 0.499 176.620 176.094 0.045 0.000 1.030 176 V CA 0.104 62.461 62.300 0.096 0.000 0.881 176 V CB 0.972 32.863 31.823 0.112 0.000 0.983 176 V HN 1.251 nan 8.190 nan 0.000 0.445 177 G N 3.261 112.059 108.800 -0.002 0.000 2.535 177 G HA2 0.472 4.432 3.960 -0.000 0.000 0.662 177 G HA3 0.472 4.432 3.960 -0.000 0.000 0.662 177 G C -0.634 174.242 174.900 -0.039 0.000 1.417 177 G CA -0.400 44.672 45.100 -0.047 0.000 0.866 177 G HN 1.324 nan 8.290 nan 0.000 0.647 178 A N 1.908 124.734 122.820 0.011 0.000 2.350 178 A HA 0.737 5.057 4.320 -0.000 0.000 0.293 178 A C 0.419 177.951 177.584 -0.087 0.000 1.231 178 A CA 0.007 52.049 52.037 0.009 0.000 0.883 178 A CB 0.033 19.110 19.000 0.128 0.000 1.133 178 A HN 1.031 nan 8.150 nan 0.000 0.533 179 L N 3.772 124.921 121.223 -0.123 0.000 2.334 179 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 179 L C -2.219 174.576 176.870 -0.125 0.000 1.013 179 L CA -2.397 52.332 54.840 -0.185 0.000 0.816 179 L CB 1.933 43.848 42.059 -0.240 0.000 1.278 179 L HN 0.397 nan 8.230 nan 0.000 0.431 180 P HA -0.034 nan 4.420 nan 0.000 0.264 180 P C -0.255 177.003 177.300 -0.071 0.000 1.179 180 P CA 0.035 63.089 63.100 -0.077 0.000 0.763 180 P CB 0.549 32.215 31.700 -0.056 0.000 0.806 181 D N 1.320 121.690 120.400 -0.050 0.000 2.149 181 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 181 D C 1.754 178.019 176.300 -0.058 0.000 0.990 181 D CA 1.361 55.332 54.000 -0.049 0.000 0.839 181 D CB -0.533 40.250 40.800 -0.028 0.000 0.948 181 D HN 0.205 nan 8.370 nan 0.000 0.460 182 V N -0.741 119.145 119.914 -0.047 0.000 2.343 182 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 182 V C 2.513 178.558 176.094 -0.081 0.000 1.051 182 V CA 1.155 63.426 62.300 -0.048 0.000 1.036 182 V CB -1.165 30.645 31.823 -0.023 0.000 0.654 182 V HN 0.026 nan 8.190 nan 0.000 0.451 183 V N 0.726 120.588 119.914 -0.086 0.000 2.295 183 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 183 V C 2.713 178.647 176.094 -0.267 0.000 1.049 183 V CA 2.440 64.662 62.300 -0.131 0.000 1.024 183 V CB -0.797 30.992 31.823 -0.057 0.000 0.648 183 V HN 0.711 nan 8.190 nan 0.000 0.447 184 E N 0.207 120.284 120.200 -0.205 0.000 2.085 184 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 184 E C 1.841 178.316 176.600 -0.208 0.000 0.994 184 E CA 1.769 58.043 56.400 -0.210 0.000 0.801 184 E CB -0.111 29.512 29.700 -0.128 0.000 0.743 184 E HN 0.611 nan 8.360 nan 0.000 0.453 185 D N 0.311 120.617 120.400 -0.156 0.000 2.117 185 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 185 D C 2.043 178.248 176.300 -0.159 0.000 0.987 185 D CA 1.051 54.975 54.000 -0.127 0.000 0.829 185 D CB -0.266 40.484 40.800 -0.083 0.000 0.961 185 D HN 0.351 nan 8.370 nan 0.000 0.460 186 Q N -0.166 119.511 119.800 -0.205 0.000 2.079 186 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 186 Q C 2.410 178.196 176.000 -0.356 0.000 0.974 186 Q CA 1.004 56.672 55.803 -0.225 0.000 0.840 186 Q CB -0.282 28.334 28.738 -0.203 0.000 0.898 186 Q HN 0.316 nan 8.270 nan 0.000 0.430 187 C N 0.437 119.372 119.300 -0.609 0.000 2.413 187 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 187 C C 2.394 177.219 174.990 -0.275 0.000 1.228 187 C CA 0.539 59.131 59.018 -0.710 0.000 1.731 187 C CB -0.955 26.259 27.740 -0.878 0.000 2.042 187 C HN 0.447 nan 8.230 nan 0.000 0.468 188 L N 1.059 122.163 121.223 -0.199 0.000 2.042 188 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 188 L C 2.915 179.734 176.870 -0.086 0.000 1.076 188 L CA 2.342 57.117 54.840 -0.108 0.000 0.749 188 L CB -1.831 40.175 42.059 -0.088 0.000 0.893 188 L HN 0.548 nan 8.230 nan 0.000 0.432 189 S N -0.700 114.942 115.700 -0.096 0.000 2.348 189 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 189 S C 2.157 176.730 174.600 -0.044 0.000 1.033 189 S CA 1.161 59.323 58.200 -0.064 0.000 1.010 189 S CB -0.150 63.013 63.200 -0.062 0.000 0.891 189 S HN 0.347 nan 8.310 nan 0.000 0.442 190 L N 1.052 122.248 121.223 -0.044 0.000 2.012 190 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 190 L C 2.499 179.381 176.870 0.021 0.000 1.073 190 L CA 1.315 56.160 54.840 0.009 0.000 0.748 190 L CB -0.541 41.551 42.059 0.055 0.000 0.891 190 L HN 0.359 nan 8.230 nan 0.000 0.431 191 L N -1.209 120.019 121.223 0.009 0.000 2.056 191 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 191 L C 2.583 179.431 176.870 -0.036 0.000 1.078 191 L CA 1.406 56.243 54.840 -0.005 0.000 0.749 191 L CB -0.917 41.129 42.059 -0.021 0.000 0.901 191 L HN 0.261 nan 8.230 nan 0.000 0.433 192 T N -0.959 113.572 114.554 -0.038 0.000 2.788 192 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 192 T C 1.903 176.591 174.700 -0.021 0.000 1.044 192 T CA 1.209 63.288 62.100 -0.035 0.000 1.139 192 T CB -0.158 68.689 68.868 -0.034 0.000 0.867 192 T HN 0.375 nan 8.240 nan 0.000 0.454 193 Q N 0.340 120.131 119.800 -0.015 0.000 2.170 193 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 193 Q C 2.088 178.089 176.000 0.002 0.000 0.976 193 Q CA 0.934 56.732 55.803 -0.009 0.000 0.858 193 Q CB -0.312 28.419 28.738 -0.012 0.000 0.907 193 Q HN 0.466 nan 8.270 nan 0.000 0.433 194 L N -0.738 120.493 121.223 0.012 0.000 2.552 194 L HA 0.054 4.394 4.340 -0.000 0.000 0.227 194 L C 1.081 177.967 176.870 0.027 0.000 1.146 194 L CA 0.470 55.334 54.840 0.040 0.000 0.858 194 L CB -0.135 41.974 42.059 0.082 0.000 0.969 194 L HN 0.435 nan 8.230 nan 0.000 0.451 195 G N 0.585 109.385 108.800 0.001 0.000 2.137 195 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.237 195 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.237 195 G C 0.081 174.962 174.900 -0.031 0.000 1.002 195 G CA 0.233 45.331 45.100 -0.002 0.000 0.702 195 G HN 0.240 nan 8.290 nan 0.000 0.515 196 V N -0.404 119.454 119.914 -0.093 0.000 2.398 196 V HA 0.988 5.108 4.120 -0.000 0.000 0.286 196 V C 0.384 176.358 176.094 -0.200 0.000 1.026 196 V CA 0.936 63.093 62.300 -0.238 0.000 0.868 196 V CB 1.500 33.022 31.823 -0.503 0.000 0.982 196 V HN 1.880 nan 8.190 nan 0.000 0.443 197 G N 5.197 113.896 108.800 -0.170 0.000 2.387 197 G HA2 0.540 4.500 3.960 -0.000 0.000 0.294 197 G HA3 0.540 4.500 3.960 -0.000 0.000 0.294 197 G C -3.451 171.439 174.900 -0.017 0.000 1.509 197 G CA -0.709 44.340 45.100 -0.085 0.000 0.806 197 G HN 0.763 nan 8.290 nan 0.000 0.546 198 P HA 0.481 nan 4.420 nan 0.000 0.275 198 P C -0.460 176.828 177.300 -0.019 0.000 1.227 198 P CA -0.553 62.541 63.100 -0.010 0.000 0.781 198 P CB 1.707 33.411 31.700 0.008 0.000 0.906 199 V N 3.959 123.853 119.914 -0.033 0.000 2.459 199 V HA 0.604 4.724 4.120 -0.000 0.000 0.295 199 V C -0.699 175.393 176.094 -0.004 0.000 1.029 199 V CA -0.685 61.600 62.300 -0.025 0.000 0.874 199 V CB 1.136 32.928 31.823 -0.051 0.000 0.985 199 V HN 0.435 nan 8.190 nan 0.000 0.438 200 R N 6.543 127.051 120.500 0.015 0.000 2.873 200 R HA 0.684 5.024 4.340 -0.000 0.000 0.264 200 R C -0.973 175.342 176.300 0.025 0.000 1.026 200 R CA -0.952 55.158 56.100 0.016 0.000 1.002 200 R CB 1.732 32.045 30.300 0.021 0.000 1.174 200 R HN 0.647 nan 8.270 nan 0.000 0.488 201 M N 1.761 121.371 119.600 0.016 0.000 2.436 201 M HA 0.428 4.908 4.480 -0.000 0.000 0.331 201 M C -0.784 175.524 176.300 0.013 0.000 1.135 201 M CA -1.110 54.200 55.300 0.017 0.000 0.987 201 M CB 1.674 34.272 32.600 -0.002 0.000 1.687 201 M HN 0.375 nan 8.290 nan 0.000 0.445 202 L N 6.234 127.466 121.223 0.014 0.000 2.343 202 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 202 L C -2.446 174.422 176.870 -0.004 0.000 0.996 202 L CA -1.259 53.580 54.840 -0.002 0.000 0.831 202 L CB 1.731 43.779 42.059 -0.019 0.000 1.232 202 L HN 0.352 nan 8.230 nan 0.000 0.413 203 P HA 0.321 nan 4.420 nan 0.000 0.276 203 P C -0.874 176.433 177.300 0.011 0.000 1.244 203 P CA -0.470 62.631 63.100 0.002 0.000 0.801 203 P CB 1.180 32.884 31.700 0.006 0.000 1.006 204 A N 2.698 125.529 122.820 0.020 0.000 2.280 204 A HA 0.207 4.527 4.320 -0.000 0.000 0.268 204 A C 1.488 179.092 177.584 0.032 0.000 1.111 204 A CA -0.321 51.730 52.037 0.022 0.000 0.814 204 A CB 0.026 19.041 19.000 0.025 0.000 1.093 204 A HN 0.500 nan 8.150 nan 0.000 0.498 205 R N -0.729 119.788 120.500 0.028 0.000 2.193 205 R HA 0.072 4.412 4.340 -0.000 0.000 0.213 205 R C 0.318 176.648 176.300 0.051 0.000 1.055 205 R CA 0.792 56.914 56.100 0.036 0.000 0.995 205 R CB 0.070 30.384 30.300 0.023 0.000 0.893 205 R HN 0.586 nan 8.270 nan 0.000 0.459 206 R N -0.779 119.749 120.500 0.047 0.000 2.771 206 R HA 0.133 4.473 4.340 -0.000 0.000 0.274 206 R C 0.782 177.113 176.300 0.053 0.000 0.987 206 R CA -0.167 55.965 56.100 0.053 0.000 0.908 206 R CB 1.811 32.136 30.300 0.040 0.000 1.213 206 R HN 0.014 nan 8.270 nan 0.000 0.468 207 S N -0.247 115.487 115.700 0.056 0.000 2.447 207 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 207 S C 1.029 175.651 174.600 0.037 0.000 1.006 207 S CA 1.406 59.640 58.200 0.057 0.000 0.957 207 S CB -0.098 63.132 63.200 0.049 0.000 0.773 207 S HN 0.779 nan 8.310 nan 0.000 0.507 208 D N 1.935 122.350 120.400 0.025 0.000 2.340 208 D HA 0.014 4.654 4.640 -0.000 0.000 0.220 208 D C 1.227 177.539 176.300 0.021 0.000 1.039 208 D CA 0.114 54.124 54.000 0.018 0.000 0.866 208 D CB -0.309 40.498 40.800 0.012 0.000 0.913 208 D HN 0.776 nan 8.370 nan 0.000 0.523 209 I N -2.653 117.932 120.570 0.025 0.000 3.658 209 I HA 0.294 4.464 4.170 -0.000 0.000 0.328 209 I C -0.330 175.800 176.117 0.023 0.000 1.567 209 I CA -0.764 60.549 61.300 0.022 0.000 1.078 209 I CB 0.265 38.277 38.000 0.019 0.000 1.267 209 I HN -0.360 nan 8.210 nan 0.000 0.495 210 E N 4.179 124.395 120.200 0.028 0.000 2.415 210 E HA 0.216 4.566 4.350 -0.000 0.000 0.262 210 E C -2.085 174.527 176.600 0.020 0.000 1.038 210 E CA -1.330 55.086 56.400 0.026 0.000 0.921 210 E CB 0.156 29.876 29.700 0.033 0.000 0.950 210 E HN 0.223 nan 8.360 nan 0.000 0.438 211 P HA 0.118 nan 4.420 nan 0.000 0.271 211 P C -0.819 176.489 177.300 0.015 0.000 1.218 211 P CA -0.201 62.908 63.100 0.016 0.000 0.780 211 P CB 0.681 32.390 31.700 0.015 0.000 0.901 212 A N 2.340 125.171 122.820 0.018 0.000 2.286 212 A HA 0.597 4.917 4.320 -0.000 0.000 0.286 212 A C 0.055 177.649 177.584 0.017 0.000 1.097 212 A CA -0.391 51.656 52.037 0.017 0.000 0.821 212 A CB 0.453 19.464 19.000 0.019 0.000 1.076 212 A HN 0.473 nan 8.150 nan 0.000 0.490 213 V N -1.208 118.714 119.914 0.013 0.000 2.841 213 V HA 0.996 5.116 4.120 -0.000 0.000 0.310 213 V C 0.059 176.164 176.094 0.018 0.000 1.090 213 V CA 0.217 62.524 62.300 0.012 0.000 0.930 213 V CB 1.196 33.012 31.823 -0.012 0.000 1.014 213 V HN 1.791 nan 8.190 nan 0.000 0.425 214 G N 2.076 110.892 108.800 0.027 0.000 2.634 214 G HA2 0.685 4.644 3.960 -0.000 0.000 0.309 214 G HA3 0.685 4.644 3.960 -0.000 0.000 0.309 214 G C -2.701 172.218 174.900 0.032 0.000 1.299 214 G CA -0.245 44.870 45.100 0.025 0.000 0.798 214 G HN 0.504 nan 8.290 nan 0.000 0.490 215 P HA 0.011 nan 4.420 nan 0.000 0.237 215 P C 0.398 177.711 177.300 0.021 0.000 1.178 215 P CA 0.829 63.944 63.100 0.024 0.000 0.766 215 P CB 0.084 31.794 31.700 0.016 0.000 0.876 216 N N -1.546 117.168 118.700 0.022 0.000 2.184 216 N HA 0.058 4.798 4.740 -0.000 0.000 0.206 216 N C -0.207 175.320 175.510 0.028 0.000 1.151 216 N CA -0.060 52.998 53.050 0.012 0.000 0.878 216 N CB 0.190 38.680 38.487 0.005 0.000 1.014 216 N HN -0.066 nan 8.380 nan 0.000 0.512 217 T N 1.649 116.237 114.554 0.056 0.000 2.901 217 T HA 0.205 4.555 4.350 -0.000 0.000 0.301 217 T C 0.256 175.029 174.700 0.123 0.000 1.012 217 T CA -0.016 62.140 62.100 0.094 0.000 1.135 217 T CB 0.841 69.770 68.868 0.101 0.000 0.936 217 T HN -0.003 nan 8.240 nan 0.000 0.539 218 R N 2.120 122.701 120.500 0.136 0.000 2.514 218 R HA 0.570 4.910 4.340 -0.000 0.000 0.301 218 R C -0.711 175.714 176.300 0.210 0.000 0.962 218 R CA -0.709 55.459 56.100 0.114 0.000 0.882 218 R CB 1.364 31.700 30.300 0.060 0.000 1.143 218 R HN 0.713 nan 8.270 nan 0.000 0.452 219 F N 0.263 120.212 119.950 -0.003 0.000 2.577 219 F HA 0.754 5.281 4.527 -0.000 0.000 0.318 219 F C -0.772 174.998 175.800 -0.050 0.000 1.065 219 F CA -1.409 56.585 58.000 -0.009 0.000 0.929 219 F CB 1.401 40.402 39.000 0.002 0.000 1.237 219 F HN 0.415 nan 8.300 nan 0.000 0.468 220 I N 3.530 124.128 120.570 0.047 0.000 2.619 220 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 220 I C -1.619 174.607 176.117 0.181 0.000 1.100 220 I CA -1.051 60.187 61.300 -0.103 0.000 1.043 220 I CB 1.946 39.692 38.000 -0.423 0.000 1.239 220 I HN 0.711 nan 8.210 nan 0.000 0.420 221 L N 7.481 128.820 121.223 0.193 0.000 2.290 221 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 221 L C 1.141 178.318 176.870 0.511 0.000 1.078 221 L CA -0.189 54.851 54.840 0.333 0.000 0.815 221 L CB 1.487 43.757 42.059 0.350 0.000 1.162 221 L HN 0.794 nan 8.230 nan 0.000 0.435 222 A N 2.973 125.989 122.820 0.327 0.000 2.132 222 A HA 0.106 4.426 4.320 -0.000 0.000 0.213 222 A C 0.723 178.328 177.584 0.036 0.000 1.154 222 A CA 0.565 52.663 52.037 0.103 0.000 0.753 222 A CB 0.167 19.083 19.000 -0.140 0.000 0.826 222 A HN 0.699 nan 8.150 nan 0.000 0.469 223 Q N -0.949 118.811 119.800 -0.067 0.000 2.347 223 Q HA 0.285 4.625 4.340 -0.000 0.000 0.271 223 Q C -2.365 173.135 176.000 -0.833 0.000 1.064 223 Q CA -1.988 53.464 55.803 -0.585 0.000 0.800 223 Q CB 2.379 30.496 28.738 -1.035 0.000 1.304 223 Q HN 0.106 nan 8.270 nan 0.000 0.438 224 P HA -0.066 nan 4.420 nan 0.000 0.225 224 P C 0.651 177.773 177.300 -0.297 0.000 1.156 224 P CA 0.941 63.429 63.100 -1.019 0.000 0.787 224 P CB -0.072 31.088 31.700 -0.899 0.000 0.802 225 F N -2.097 117.802 119.950 -0.085 0.000 2.676 225 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 225 F C 0.893 176.724 175.800 0.052 0.000 1.160 225 F CA -0.388 57.633 58.000 0.035 0.000 1.401 225 F CB -1.095 37.917 39.000 0.021 0.000 1.037 225 F HN -0.303 nan 8.300 nan 0.000 0.522 226 L N 1.166 122.409 121.223 0.034 0.000 3.073 226 L HA 0.391 4.731 4.340 -0.000 0.000 0.242 226 L C 1.962 178.865 176.870 0.056 0.000 1.317 226 L CA -0.261 54.613 54.840 0.056 0.000 1.081 226 L CB 0.040 42.090 42.059 -0.015 0.000 1.456 226 L HN 0.453 nan 8.230 nan 0.000 0.525 227 G N -0.207 108.646 108.800 0.088 0.000 2.421 227 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 227 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 227 G C 1.392 176.361 174.900 0.115 0.000 1.171 227 G CA 0.427 45.576 45.100 0.082 0.000 0.775 227 G HN 0.334 nan 8.290 nan 0.000 0.543 228 E N 0.310 120.562 120.200 0.087 0.000 2.216 228 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 228 E C 2.730 179.345 176.600 0.025 0.000 0.988 228 E CA 1.045 57.480 56.400 0.060 0.000 0.834 228 E CB -0.418 29.303 29.700 0.034 0.000 0.772 228 E HN 0.352 nan 8.360 nan 0.000 0.479 229 T N 0.906 115.462 114.554 0.004 0.000 2.812 229 T HA -0.087 4.263 4.350 -0.000 0.000 0.264 229 T C 1.979 176.611 174.700 -0.113 0.000 1.042 229 T CA 1.633 63.698 62.100 -0.058 0.000 1.140 229 T CB -0.393 68.440 68.868 -0.059 0.000 0.870 229 T HN 0.151 nan 8.240 nan 0.000 0.445 230 T N 1.520 116.062 114.554 -0.019 0.000 2.597 230 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 230 T C 2.256 176.998 174.700 0.069 0.000 1.053 230 T CA 1.629 63.783 62.100 0.090 0.000 1.165 230 T CB -1.106 67.892 68.868 0.216 0.000 0.863 230 T HN 0.525 nan 8.240 nan 0.000 0.427 231 G N 1.115 109.968 108.800 0.089 0.000 2.476 231 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 231 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 231 G C 1.840 176.760 174.900 0.032 0.000 1.164 231 G CA 1.165 46.319 45.100 0.090 0.000 0.768 231 G HN 0.633 nan 8.290 nan 0.000 0.560 232 A N 0.316 123.128 122.820 -0.014 0.000 1.933 232 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 232 A C 2.465 179.999 177.584 -0.084 0.000 1.175 232 A CA 1.317 53.332 52.037 -0.037 0.000 0.628 232 A CB -0.355 18.620 19.000 -0.041 0.000 0.814 232 A HN 0.368 nan 8.150 nan 0.000 0.444 233 L N -0.843 120.259 121.223 -0.201 0.000 2.056 233 L HA -0.186 4.153 4.340 -0.000 0.000 0.207 233 L C 2.570 179.375 176.870 -0.109 0.000 1.078 233 L CA 1.590 56.242 54.840 -0.313 0.000 0.749 233 L CB -0.554 40.950 42.059 -0.924 0.000 0.901 233 L HN 0.445 nan 8.230 nan 0.000 0.433 234 E N -0.107 120.100 120.200 0.012 0.000 2.110 234 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 234 E C 2.305 178.946 176.600 0.069 0.000 0.988 234 E CA 0.858 57.336 56.400 0.129 0.000 0.804 234 E CB -0.040 29.767 29.700 0.178 0.000 0.745 234 E HN 0.352 nan 8.360 nan 0.000 0.458 235 R N 0.346 120.869 120.500 0.039 0.000 2.159 235 R HA -0.040 4.300 4.340 -0.000 0.000 0.237 235 R C 1.795 178.108 176.300 0.022 0.000 1.131 235 R CA 0.756 56.874 56.100 0.031 0.000 0.982 235 R CB 0.062 30.377 30.300 0.025 0.000 0.868 235 R HN -0.001 nan 8.270 nan 0.000 0.453 236 R N -0.690 119.816 120.500 0.011 0.000 2.310 236 R HA 0.100 4.440 4.340 -0.000 0.000 0.202 236 R C 1.086 177.400 176.300 0.024 0.000 0.933 236 R CA 0.796 56.901 56.100 0.009 0.000 1.054 236 R CB 0.701 30.995 30.300 -0.009 0.000 0.985 236 R HN 0.471 nan 8.270 nan 0.000 0.489 237 G N 0.103 108.927 108.800 0.040 0.000 2.176 237 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 237 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 237 G C 0.321 175.268 174.900 0.079 0.000 0.986 237 G CA 0.031 45.161 45.100 0.050 0.000 0.643 237 G HN 0.552 nan 8.290 nan 0.000 0.522 238 A N 0.184 123.071 122.820 0.111 0.000 2.445 238 A HA 0.629 4.949 4.320 -0.000 0.000 0.242 238 A C 0.441 178.216 177.584 0.319 0.000 1.075 238 A CA 0.547 52.713 52.037 0.215 0.000 0.777 238 A CB 0.366 19.494 19.000 0.214 0.000 1.013 238 A HN 0.398 nan 8.150 nan 0.000 0.493 239 K N 1.423 121.955 120.400 0.221 0.000 2.323 239 K HA 0.331 4.651 4.320 -0.000 0.000 0.259 239 K C -0.225 176.183 176.600 -0.321 0.000 0.947 239 K CA -0.554 55.744 56.287 0.019 0.000 0.819 239 K CB 2.151 34.628 32.500 -0.038 0.000 1.109 239 K HN 0.750 nan 8.250 nan 0.000 0.429 240 R N 3.191 123.309 120.500 -0.637 0.000 2.438 240 R HA 0.256 4.596 4.340 -0.000 0.000 0.287 240 R C -0.477 175.484 176.300 -0.565 0.000 1.077 240 R CA -0.267 55.163 56.100 -1.116 0.000 1.034 240 R CB 0.474 30.223 30.300 -0.918 0.000 0.993 240 R HN 0.563 nan 8.270 nan 0.000 0.459 241 I N 4.011 124.258 120.570 -0.537 0.000 2.297 241 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 241 I C 0.388 176.277 176.117 -0.380 0.000 1.033 241 I CA -0.466 60.606 61.300 -0.380 0.000 1.253 241 I CB 1.537 39.328 38.000 -0.349 0.000 1.396 241 I HN 0.654 nan 8.210 nan 0.000 0.476 242 A N 5.779 128.420 122.820 -0.299 0.000 2.440 242 A HA 0.763 5.083 4.320 -0.000 0.000 0.251 242 A C 0.122 177.525 177.584 -0.302 0.000 1.089 242 A CA 0.015 51.893 52.037 -0.265 0.000 0.779 242 A CB 0.341 19.232 19.000 -0.182 0.000 1.022 242 A HN 0.908 nan 8.150 nan 0.000 0.492 243 A N 3.520 126.136 122.820 -0.341 0.000 2.594 243 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 243 A C -3.222 174.137 177.584 -0.375 0.000 1.056 243 A CA -1.201 50.634 52.037 -0.336 0.000 0.693 243 A CB 0.614 19.335 19.000 -0.465 0.000 1.278 243 A HN 0.564 nan 8.150 nan 0.000 0.408 244 P HA 0.395 nan 4.420 nan 0.000 0.270 244 P C -0.630 176.529 177.300 -0.236 0.000 1.223 244 P CA 0.175 63.170 63.100 -0.174 0.000 0.785 244 P CB 0.128 31.807 31.700 -0.034 0.000 0.923 245 F N 1.739 121.712 119.950 0.038 0.000 2.429 245 F HA 0.226 4.753 4.527 -0.000 0.000 0.348 245 F C -1.261 174.255 175.800 -0.474 0.000 1.109 245 F CA -1.846 56.061 58.000 -0.154 0.000 1.232 245 F CB 0.008 38.937 39.000 -0.119 0.000 1.157 245 F HN 0.222 nan 8.300 nan 0.000 0.564 246 P HA 0.077 nan 4.420 nan 0.000 0.230 246 P C -1.029 175.610 177.300 -1.101 0.000 1.791 246 P CA 0.420 62.849 63.100 -1.119 0.000 1.020 246 P CB -0.709 29.717 31.700 -2.123 0.000 1.977 247 F N 1.422 121.113 119.950 -0.433 0.000 2.467 247 F HA 0.599 5.126 4.527 -0.000 0.000 0.336 247 F C 1.384 176.922 175.800 -0.436 0.000 1.123 247 F CA -0.122 57.577 58.000 -0.503 0.000 0.964 247 F CB 1.914 40.639 39.000 -0.460 0.000 1.136 247 F HN 0.375 nan 8.300 nan 0.000 0.447 248 G N 2.601 111.188 108.800 -0.355 0.000 2.782 248 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.228 248 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.228 248 G C 0.641 175.589 174.900 0.079 0.000 1.372 248 G CA -0.000 45.041 45.100 -0.097 0.000 0.862 248 G HN 0.656 nan 8.290 nan 0.000 0.547 249 E N -0.044 120.306 120.200 0.251 0.000 2.051 249 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 249 E C 2.158 178.916 176.600 0.262 0.000 0.991 249 E CA 2.107 58.704 56.400 0.328 0.000 0.799 249 E CB -0.188 29.673 29.700 0.268 0.000 0.748 249 E HN 0.697 nan 8.360 nan 0.000 0.449 250 E N -0.613 119.701 120.200 0.190 0.000 2.046 250 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 250 E C 2.069 178.724 176.600 0.091 0.000 0.982 250 E CA 1.021 57.502 56.400 0.134 0.000 0.800 250 E CB -0.370 29.384 29.700 0.091 0.000 0.756 250 E HN 0.309 nan 8.360 nan 0.000 0.449 251 G N 0.053 108.891 108.800 0.063 0.000 2.440 251 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 251 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 251 G C 1.615 176.450 174.900 -0.109 0.000 1.154 251 G CA 1.400 46.495 45.100 -0.009 0.000 0.767 251 G HN 0.285 nan 8.290 nan 0.000 0.552 252 T N 0.975 115.388 114.554 -0.235 0.000 2.708 252 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 252 T C 2.641 177.289 174.700 -0.087 0.000 1.037 252 T CA 1.790 63.628 62.100 -0.437 0.000 1.146 252 T CB -0.613 67.714 68.868 -0.901 0.000 0.865 252 T HN 0.289 nan 8.240 nan 0.000 0.435 253 T N 2.479 117.102 114.554 0.114 0.000 2.684 253 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 253 T C 1.811 176.701 174.700 0.317 0.000 1.036 253 T CA 0.801 63.123 62.100 0.370 0.000 1.148 253 T CB -0.395 68.705 68.868 0.387 0.000 0.863 253 T HN 0.052 nan 8.240 nan 0.000 0.436 254 L N -0.643 120.678 121.223 0.162 0.000 2.201 254 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 254 L C 1.890 178.796 176.870 0.060 0.000 1.105 254 L CA 1.043 55.925 54.840 0.070 0.000 0.775 254 L CB -1.122 40.952 42.059 0.025 0.000 0.913 254 L HN 0.449 nan 8.230 nan 0.000 0.440 255 W N -0.232 121.002 121.300 -0.111 0.000 2.444 255 W HA -0.119 4.541 4.660 -0.000 0.000 0.308 255 W C 2.324 178.815 176.519 -0.047 0.000 1.183 255 W CA 1.071 58.324 57.345 -0.153 0.000 1.340 255 W CB -0.064 29.235 29.460 -0.269 0.000 1.138 255 W HN -0.010 nan 8.180 nan 0.000 0.510 256 L N 0.882 122.362 121.223 0.427 0.000 2.083 256 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 256 L C 2.412 179.438 176.870 0.260 0.000 1.083 256 L CA 1.502 56.587 54.840 0.409 0.000 0.752 256 L CB -0.975 41.418 42.059 0.557 0.000 0.899 256 L HN -0.078 nan 8.230 nan 0.000 0.433 257 K N 0.784 121.251 120.400 0.112 0.000 2.097 257 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 257 K C 2.022 178.459 176.600 -0.271 0.000 1.049 257 K CA 1.584 57.630 56.287 -0.403 0.000 0.933 257 K CB -0.342 31.861 32.500 -0.495 0.000 0.717 257 K HN 0.227 nan 8.250 nan 0.000 0.442 258 A N -0.049 122.644 122.820 -0.212 0.000 1.898 258 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 258 A C 2.273 179.730 177.584 -0.211 0.000 1.181 258 A CA 1.767 53.663 52.037 -0.235 0.000 0.620 258 A CB -0.687 18.135 19.000 -0.296 0.000 0.819 258 A HN 0.113 nan 8.150 nan 0.000 0.442 259 V N -0.043 119.732 119.914 -0.231 0.000 2.295 259 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 259 V C 3.054 179.165 176.094 0.030 0.000 1.049 259 V CA 1.887 64.110 62.300 -0.128 0.000 1.024 259 V CB -1.458 30.229 31.823 -0.227 0.000 0.648 259 V HN 0.599 nan 8.190 nan 0.000 0.447 260 A N 0.217 123.038 122.820 0.001 0.000 1.883 260 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 260 A C 2.002 179.589 177.584 0.006 0.000 1.186 260 A CA 2.281 54.343 52.037 0.042 0.000 0.624 260 A CB -0.768 18.262 19.000 0.049 0.000 0.822 260 A HN 0.542 nan 8.150 nan 0.000 0.444 261 D N -0.129 120.219 120.400 -0.087 0.000 2.144 261 D HA -0.037 4.603 4.640 -0.000 0.000 0.199 261 D C 2.179 178.439 176.300 -0.067 0.000 0.984 261 D CA 1.482 55.426 54.000 -0.094 0.000 0.834 261 D CB -0.426 40.288 40.800 -0.142 0.000 0.955 261 D HN 0.444 nan 8.370 nan 0.000 0.465 262 A N -0.348 122.440 122.820 -0.053 0.000 1.969 262 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 262 A C 1.480 178.960 177.584 -0.172 0.000 1.169 262 A CA 0.934 52.907 52.037 -0.107 0.000 0.635 262 A CB -0.695 18.244 19.000 -0.101 0.000 0.810 262 A HN 0.298 nan 8.150 nan 0.000 0.445 263 Y N -0.813 119.442 120.300 -0.075 0.000 2.493 263 Y HA 0.357 4.907 4.550 -0.000 0.000 0.275 263 Y C 1.693 177.572 175.900 -0.034 0.000 1.183 263 Y CA 0.244 58.316 58.100 -0.047 0.000 1.258 263 Y CB 0.194 38.633 38.460 -0.035 0.000 1.108 263 Y HN 0.427 nan 8.280 nan 0.000 0.521 264 G N 0.519 109.346 108.800 0.045 0.000 2.168 264 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 264 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 264 G C 0.095 175.020 174.900 0.042 0.000 0.997 264 G CA 0.254 45.365 45.100 0.018 0.000 0.708 264 G HN 0.130 nan 8.290 nan 0.000 0.520 265 V N 1.627 121.583 119.914 0.070 0.000 2.694 265 V HA 0.342 4.462 4.120 -0.000 0.000 0.306 265 V C 1.537 177.665 176.094 0.058 0.000 1.054 265 V CA 0.419 62.765 62.300 0.078 0.000 1.161 265 V CB 0.961 32.853 31.823 0.115 0.000 0.916 265 V HN 1.067 nan 8.190 nan 0.000 0.490 266 S N 4.377 120.115 115.700 0.063 0.000 2.579 266 S HA 0.329 4.799 4.470 -0.000 0.000 0.275 266 S C 1.300 175.951 174.600 0.085 0.000 1.345 266 S CA -0.064 58.169 58.200 0.054 0.000 1.031 266 S CB 1.283 64.511 63.200 0.047 0.000 0.892 266 S HN 1.089 nan 8.310 nan 0.000 0.529 267 A N 1.717 124.574 122.820 0.063 0.000 1.933 267 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 267 A C 1.979 179.644 177.584 0.134 0.000 1.175 267 A CA 1.619 53.710 52.037 0.090 0.000 0.628 267 A CB -1.023 18.004 19.000 0.044 0.000 0.814 267 A HN 0.918 nan 8.150 nan 0.000 0.444 268 E N 0.129 120.382 120.200 0.088 0.000 2.072 268 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 268 E C 2.032 178.678 176.600 0.077 0.000 0.985 268 E CA 1.166 57.608 56.400 0.071 0.000 0.801 268 E CB -0.117 29.609 29.700 0.044 0.000 0.750 268 E HN 0.359 nan 8.360 nan 0.000 0.452 269 K N 0.032 120.485 120.400 0.088 0.000 2.057 269 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 269 K C 2.042 178.705 176.600 0.105 0.000 1.050 269 K CA 0.849 57.185 56.287 0.081 0.000 0.935 269 K CB -0.369 32.179 32.500 0.080 0.000 0.715 269 K HN 0.182 nan 8.250 nan 0.000 0.439 270 F N 2.152 122.116 119.950 0.023 0.000 2.102 270 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 270 F C 2.268 178.089 175.800 0.034 0.000 1.105 270 F CA 1.584 59.605 58.000 0.034 0.000 1.239 270 F CB 0.042 39.063 39.000 0.034 0.000 0.991 270 F HN 0.020 nan 8.300 nan 0.000 0.474 271 E N 0.419 120.686 120.200 0.112 0.000 2.110 271 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 271 E C 2.147 178.704 176.600 -0.072 0.000 0.988 271 E CA 1.313 57.724 56.400 0.019 0.000 0.804 271 E CB -0.499 29.254 29.700 0.088 0.000 0.745 271 E HN 0.444 nan 8.360 nan 0.000 0.458 272 A N -0.394 122.398 122.820 -0.046 0.000 1.930 272 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 272 A C 2.373 179.907 177.584 -0.084 0.000 1.176 272 A CA 1.146 53.153 52.037 -0.051 0.000 0.632 272 A CB -0.296 18.692 19.000 -0.020 0.000 0.819 272 A HN 0.168 nan 8.150 nan 0.000 0.445 273 V N -1.233 118.614 119.914 -0.112 0.000 2.591 273 V HA -0.115 4.005 4.120 -0.000 0.000 0.249 273 V C 2.554 178.543 176.094 -0.176 0.000 1.053 273 V CA 2.287 64.515 62.300 -0.119 0.000 1.068 273 V CB -0.402 31.363 31.823 -0.096 0.000 0.689 273 V HN 0.579 nan 8.190 nan 0.000 0.462 274 T N -0.885 113.493 114.554 -0.293 0.000 3.051 274 T HA 0.179 4.529 4.350 -0.000 0.000 0.255 274 T C 1.904 176.419 174.700 -0.308 0.000 1.085 274 T CA 0.918 62.806 62.100 -0.352 0.000 1.109 274 T CB 0.024 68.491 68.868 -0.667 0.000 0.921 274 T HN 0.473 nan 8.240 nan 0.000 0.488 275 A N 1.446 124.137 122.820 -0.215 0.000 1.865 275 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 275 A C 2.590 180.072 177.584 -0.170 0.000 1.191 275 A CA 2.134 54.077 52.037 -0.157 0.000 0.623 275 A CB -1.232 17.710 19.000 -0.096 0.000 0.826 275 A HN 0.558 nan 8.150 nan 0.000 0.444 276 A N -0.169 122.557 122.820 -0.157 0.000 1.855 276 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 276 A C 0.277 177.747 177.584 -0.189 0.000 1.191 276 A CA 1.670 53.625 52.037 -0.136 0.000 0.613 276 A CB -1.658 17.285 19.000 -0.094 0.000 0.829 276 A HN 0.453 nan 8.150 nan 0.000 0.442 277 P HA -0.115 nan 4.420 nan 0.000 0.220 277 P C 1.566 178.490 177.300 -0.627 0.000 1.148 277 P CA 0.924 63.797 63.100 -0.378 0.000 0.803 277 P CB -0.106 31.352 31.700 -0.403 0.000 0.782 278 R N -0.413 119.668 120.500 -0.699 0.000 2.066 278 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 278 R C 2.206 178.389 176.300 -0.196 0.000 1.131 278 R CA 1.627 57.425 56.100 -0.503 0.000 0.955 278 R CB -1.002 29.111 30.300 -0.312 0.000 0.851 278 R HN 0.142 nan 8.270 nan 0.000 0.432 279 A N 1.006 123.734 122.820 -0.153 0.000 1.902 279 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 279 A C 2.133 179.688 177.584 -0.048 0.000 1.181 279 A CA 1.469 53.462 52.037 -0.074 0.000 0.623 279 A CB -0.412 18.549 19.000 -0.064 0.000 0.818 279 A HN 0.234 nan 8.150 nan 0.000 0.443 280 R N -0.301 120.159 120.500 -0.067 0.000 2.092 280 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 280 R C 2.183 178.494 176.300 0.018 0.000 1.119 280 R CA 1.526 57.611 56.100 -0.025 0.000 0.970 280 R CB -0.421 29.860 30.300 -0.031 0.000 0.864 280 R HN 0.409 nan 8.270 nan 0.000 0.440 281 A N 1.174 124.007 122.820 0.021 0.000 1.855 281 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 281 A C 2.083 179.738 177.584 0.119 0.000 1.191 281 A CA 1.648 53.752 52.037 0.111 0.000 0.613 281 A CB -0.584 18.541 19.000 0.207 0.000 0.829 281 A HN 0.419 nan 8.150 nan 0.000 0.442 282 K N -0.149 120.301 120.400 0.084 0.000 2.103 282 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 282 K C 2.152 178.792 176.600 0.067 0.000 1.048 282 K CA 1.810 58.145 56.287 0.080 0.000 0.930 282 K CB -0.148 32.382 32.500 0.049 0.000 0.716 282 K HN 0.420 nan 8.250 nan 0.000 0.444 283 K N 0.074 120.502 120.400 0.047 0.000 2.025 283 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 283 K C 2.037 178.667 176.600 0.050 0.000 1.049 283 K CA 1.130 57.438 56.287 0.035 0.000 0.933 283 K CB -0.176 32.335 32.500 0.018 0.000 0.714 283 K HN 0.232 nan 8.250 nan 0.000 0.438 284 A N 1.460 124.326 122.820 0.078 0.000 1.908 284 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 284 A C 2.091 179.784 177.584 0.181 0.000 1.181 284 A CA 1.471 53.576 52.037 0.112 0.000 0.627 284 A CB -0.553 18.527 19.000 0.134 0.000 0.818 284 A HN 0.333 nan 8.150 nan 0.000 0.445 285 I N -0.242 120.451 120.570 0.205 0.000 2.252 285 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 285 I C 2.916 179.139 176.117 0.177 0.000 1.102 285 I CA 0.935 62.395 61.300 0.266 0.000 1.385 285 I CB -0.331 37.809 38.000 0.234 0.000 1.064 285 I HN 0.335 nan 8.210 nan 0.000 0.414 286 A N 0.880 123.752 122.820 0.087 0.000 1.986 286 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 286 A C 2.493 180.070 177.584 -0.011 0.000 1.171 286 A CA 1.901 53.959 52.037 0.035 0.000 0.640 286 A CB -0.805 18.207 19.000 0.020 0.000 0.811 286 A HN 0.456 nan 8.150 nan 0.000 0.451 287 A N -1.505 121.266 122.820 -0.083 0.000 2.070 287 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 287 A C 1.735 179.127 177.584 -0.319 0.000 1.159 287 A CA 1.388 53.285 52.037 -0.233 0.000 0.656 287 A CB -0.658 18.132 19.000 -0.349 0.000 0.800 287 A HN 0.715 nan 8.150 nan 0.000 0.453 288 H N -1.425 117.675 119.070 0.051 0.000 2.652 288 H HA 0.273 4.829 4.556 -0.000 0.000 0.274 288 H C 1.575 176.923 175.328 0.035 0.000 1.021 288 H CA -0.044 56.037 56.048 0.054 0.000 1.187 288 H CB 0.114 29.926 29.762 0.084 0.000 1.505 288 H HN 0.386 nan 8.280 nan 0.000 0.530 289 L N 0.676 121.954 121.223 0.092 0.000 2.093 289 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 289 L C 2.637 179.529 176.870 0.036 0.000 1.085 289 L CA 1.219 56.089 54.840 0.049 0.000 0.755 289 L CB -0.093 41.980 42.059 0.025 0.000 0.904 289 L HN 0.265 nan 8.230 nan 0.000 0.435 290 E N -0.117 120.102 120.200 0.032 0.000 2.077 290 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 290 E C 2.079 178.701 176.600 0.036 0.000 0.989 290 E CA 2.010 58.425 56.400 0.026 0.000 0.800 290 E CB 0.051 29.761 29.700 0.018 0.000 0.746 290 E HN 0.474 nan 8.360 nan 0.000 0.452 291 T N -1.249 113.338 114.554 0.055 0.000 2.942 291 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 291 T C 1.754 176.490 174.700 0.059 0.000 1.062 291 T CA 0.543 62.680 62.100 0.062 0.000 1.139 291 T CB -0.015 68.903 68.868 0.083 0.000 0.883 291 T HN 0.073 nan 8.240 nan 0.000 0.468 292 L N 1.586 122.845 121.223 0.060 0.000 2.249 292 L HA 0.325 4.665 4.340 -0.000 0.000 0.207 292 L C 1.233 178.106 176.870 0.005 0.000 1.090 292 L CA 0.913 55.775 54.840 0.037 0.000 0.802 292 L CB -1.013 41.064 42.059 0.031 0.000 0.947 292 L HN 0.271 nan 8.230 nan 0.000 0.453 293 T N 0.180 114.736 114.554 0.004 0.000 2.867 293 T HA 0.383 4.732 4.350 -0.000 0.000 0.297 293 T C 1.162 175.860 174.700 -0.004 0.000 0.989 293 T CA 0.681 62.776 62.100 -0.008 0.000 1.159 293 T CB 0.418 69.284 68.868 -0.004 0.000 0.928 293 T HN 0.551 nan 8.240 nan 0.000 0.538 294 G N 2.692 111.485 108.800 -0.011 0.000 2.176 294 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 294 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 294 G C 0.136 175.034 174.900 -0.003 0.000 0.979 294 G CA -0.325 44.770 45.100 -0.008 0.000 0.641 294 G HN 0.588 nan 8.290 nan 0.000 0.530 295 K N 1.584 121.984 120.400 0.000 0.000 2.205 295 K HA 0.485 4.805 4.320 -0.000 0.000 0.279 295 K C 0.815 177.420 176.600 0.009 0.000 1.027 295 K CA 0.276 56.571 56.287 0.013 0.000 0.932 295 K CB 1.498 34.015 32.500 0.028 0.000 1.032 295 K HN 0.584 nan 8.250 nan 0.000 0.466 296 S N 2.462 118.175 115.700 0.021 0.000 2.548 296 S HA 0.342 4.812 4.470 -0.000 0.000 0.277 296 S C -0.099 174.532 174.600 0.052 0.000 1.315 296 S CA -0.886 57.329 58.200 0.025 0.000 1.050 296 S CB 0.669 63.886 63.200 0.028 0.000 0.918 296 S HN 0.465 nan 8.310 nan 0.000 0.497 297 L N 3.190 124.439 121.223 0.043 0.000 2.365 297 L HA 0.797 5.137 4.340 -0.000 0.000 0.273 297 L C -1.370 175.565 176.870 0.108 0.000 1.000 297 L CA -0.854 54.025 54.840 0.065 0.000 0.819 297 L CB 1.570 43.617 42.059 -0.020 0.000 1.284 297 L HN 0.835 nan 8.230 nan 0.000 0.418 298 F N 5.532 125.488 119.950 0.010 0.000 2.547 298 F HA 0.707 5.234 4.527 -0.000 0.000 0.316 298 F C -1.093 174.708 175.800 0.001 0.000 1.121 298 F CA -0.668 57.321 58.000 -0.018 0.000 0.911 298 F CB 1.818 40.826 39.000 0.012 0.000 1.179 298 F HN 0.382 nan 8.300 nan 0.000 0.443 299 M N 6.845 126.291 119.600 -0.258 0.000 2.197 299 M HA 0.351 4.831 4.480 -0.000 0.000 0.301 299 M C -1.337 174.867 176.300 -0.160 0.000 0.987 299 M CA -0.576 54.699 55.300 -0.041 0.000 0.921 299 M CB 1.757 34.330 32.600 -0.044 0.000 1.569 299 M HN 0.415 nan 8.290 nan 0.000 0.431 300 F N 4.135 124.185 119.950 0.167 0.000 2.410 300 F HA 0.365 4.892 4.527 -0.000 0.000 0.334 300 F C -1.661 174.175 175.800 0.060 0.000 1.134 300 F CA -1.466 56.616 58.000 0.136 0.000 1.227 300 F CB 0.449 39.526 39.000 0.127 0.000 1.194 300 F HN 0.300 nan 8.300 nan 0.000 0.571 301 P HA 0.138 nan 4.420 nan 0.000 0.281 301 P C -0.773 176.623 177.300 0.160 0.000 1.252 301 P CA 0.046 63.238 63.100 0.154 0.000 0.778 301 P CB 1.783 33.559 31.700 0.127 0.000 0.895 302 D N 1.206 121.709 120.400 0.172 0.000 2.259 302 D HA -0.030 4.610 4.640 -0.000 0.000 0.301 302 D C 1.145 177.656 176.300 0.352 0.000 1.149 302 D CA 0.691 54.813 54.000 0.204 0.000 1.012 302 D CB 0.409 41.312 40.800 0.172 0.000 1.797 302 D HN 0.468 nan 8.370 nan 0.000 0.513 303 S N -0.660 115.222 115.700 0.302 0.000 2.679 303 S HA 0.117 4.587 4.470 -0.000 0.000 0.258 303 S C 0.699 175.413 174.600 0.191 0.000 1.068 303 S CA 0.010 58.366 58.200 0.260 0.000 1.115 303 S CB 1.470 64.805 63.200 0.224 0.000 1.078 303 S HN 0.126 nan 8.310 nan 0.000 0.603 304 Q N -0.026 119.890 119.800 0.193 0.000 2.342 304 Q HA -0.145 4.195 4.340 -0.000 0.000 0.196 304 Q C 0.703 176.764 176.000 0.102 0.000 0.629 304 Q CA 1.294 57.205 55.803 0.179 0.000 1.365 304 Q CB -2.211 26.689 28.738 0.270 0.000 1.406 304 Q HN 0.585 nan 8.270 nan 0.000 0.840 305 L N 0.158 121.430 121.223 0.082 0.000 2.554 305 L HA -0.053 4.287 4.340 -0.000 0.000 0.226 305 L C 1.770 178.598 176.870 -0.071 0.000 1.137 305 L CA 0.617 55.437 54.840 -0.033 0.000 0.863 305 L CB -0.122 41.883 42.059 -0.089 0.000 0.985 305 L HN 0.178 nan 8.230 nan 0.000 0.451 306 E N 0.994 121.190 120.200 -0.007 0.000 2.038 306 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 306 E C 2.135 178.714 176.600 -0.035 0.000 1.000 306 E CA 1.420 57.809 56.400 -0.018 0.000 0.803 306 E CB -0.178 29.523 29.700 0.002 0.000 0.750 306 E HN 0.373 nan 8.360 nan 0.000 0.448 307 I N 0.625 121.191 120.570 -0.007 0.000 2.142 307 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 307 I C -0.836 175.305 176.117 0.040 0.000 1.078 307 I CA 1.134 62.442 61.300 0.013 0.000 1.343 307 I CB -1.135 36.888 38.000 0.039 0.000 1.046 307 I HN 0.123 nan 8.210 nan 0.000 0.405 308 P HA -0.154 nan 4.420 nan 0.000 0.216 308 P C 1.895 179.219 177.300 0.039 0.000 1.150 308 P CA 1.516 64.710 63.100 0.157 0.000 0.837 308 P CB -0.022 31.869 31.700 0.317 0.000 0.786 309 L N -1.253 119.886 121.223 -0.139 0.000 2.109 309 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 309 L C 2.518 179.323 176.870 -0.108 0.000 1.086 309 L CA 1.345 56.074 54.840 -0.185 0.000 0.760 309 L CB -1.218 40.683 42.059 -0.263 0.000 0.910 309 L HN -0.055 nan 8.230 nan 0.000 0.437 310 A N 0.185 122.947 122.820 -0.098 0.000 1.908 310 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 310 A C 2.486 180.038 177.584 -0.052 0.000 1.181 310 A CA 1.646 53.623 52.037 -0.099 0.000 0.627 310 A CB -0.594 18.360 19.000 -0.076 0.000 0.818 310 A HN 0.279 nan 8.150 nan 0.000 0.445 311 R N -0.961 119.547 120.500 0.012 0.000 2.083 311 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 311 R C 1.992 178.322 176.300 0.050 0.000 1.137 311 R CA 2.196 58.326 56.100 0.050 0.000 0.951 311 R CB -0.873 29.479 30.300 0.087 0.000 0.851 311 R HN 0.540 nan 8.270 nan 0.000 0.434 312 F N 1.438 121.351 119.950 -0.062 0.000 2.102 312 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 312 F C 2.043 177.782 175.800 -0.101 0.000 1.105 312 F CA 1.485 59.445 58.000 -0.067 0.000 1.239 312 F CB -0.470 38.486 39.000 -0.073 0.000 0.991 312 F HN -0.005 nan 8.300 nan 0.000 0.474 313 L N -0.076 120.881 121.223 -0.443 0.000 2.141 313 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 313 L C 2.772 179.432 176.870 -0.350 0.000 1.094 313 L CA 1.029 55.531 54.840 -0.562 0.000 0.763 313 L CB -1.100 40.673 42.059 -0.477 0.000 0.908 313 L HN 0.303 nan 8.230 nan 0.000 0.437 314 A N 0.169 122.872 122.820 -0.195 0.000 1.854 314 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 314 A C 2.388 179.947 177.584 -0.041 0.000 1.192 314 A CA 1.131 53.123 52.037 -0.076 0.000 0.611 314 A CB -0.316 18.697 19.000 0.021 0.000 0.832 314 A HN 0.276 nan 8.150 nan 0.000 0.442 315 R N -0.550 119.916 120.500 -0.058 0.000 2.093 315 R HA 0.005 4.345 4.340 -0.000 0.000 0.224 315 R C 1.734 177.970 176.300 -0.107 0.000 1.101 315 R CA 1.439 57.506 56.100 -0.055 0.000 0.979 315 R CB -0.092 30.138 30.300 -0.117 0.000 0.877 315 R HN 0.631 nan 8.270 nan 0.000 0.441 316 E N -1.061 119.002 120.200 -0.227 0.000 2.372 316 E HA 0.040 4.390 4.350 -0.000 0.000 0.201 316 E C 0.937 177.371 176.600 -0.276 0.000 0.938 316 E CA 0.232 56.490 56.400 -0.237 0.000 0.944 316 E CB 0.706 30.266 29.700 -0.233 0.000 0.937 316 E HN 0.228 nan 8.360 nan 0.000 0.495 317 C N 0.386 119.459 119.300 -0.377 0.000 3.104 317 C HA 0.374 4.834 4.460 -0.000 0.000 0.284 317 C C 1.498 176.401 174.990 -0.146 0.000 1.326 317 C CA 0.035 58.896 59.018 -0.262 0.000 1.725 317 C CB -0.303 27.221 27.740 -0.361 0.000 2.156 317 C HN 0.640 nan 8.230 nan 0.000 0.638 318 G N 1.675 110.406 108.800 -0.115 0.000 2.168 318 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 318 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 318 G C 0.065 174.931 174.900 -0.057 0.000 0.997 318 G CA 0.286 45.352 45.100 -0.057 0.000 0.708 318 G HN 0.560 nan 8.290 nan 0.000 0.520 319 M N -0.114 119.431 119.600 -0.091 0.000 2.240 319 M HA 0.274 4.754 4.480 -0.000 0.000 0.333 319 M C 0.715 176.981 176.300 -0.057 0.000 1.110 319 M CA 0.440 55.694 55.300 -0.077 0.000 1.173 319 M CB 0.662 33.191 32.600 -0.118 0.000 1.458 319 M HN 0.011 nan 8.290 nan 0.000 0.458 320 K N 1.981 122.356 120.400 -0.042 0.000 2.211 320 K HA 0.280 4.600 4.320 -0.000 0.000 0.275 320 K C -0.098 176.478 176.600 -0.040 0.000 1.024 320 K CA -0.424 55.839 56.287 -0.041 0.000 0.887 320 K CB 0.907 33.388 32.500 -0.031 0.000 1.084 320 K HN 0.678 nan 8.250 nan 0.000 0.463 321 T N -0.390 114.134 114.554 -0.051 0.000 2.910 321 T HA 0.161 4.511 4.350 -0.000 0.000 0.293 321 T C 1.090 175.758 174.700 -0.053 0.000 1.015 321 T CA -0.518 61.547 62.100 -0.059 0.000 1.094 321 T CB 1.305 70.132 68.868 -0.069 0.000 0.968 321 T HN 0.698 nan 8.240 nan 0.000 0.521 322 T N -0.287 114.231 114.554 -0.059 0.000 3.066 322 T HA 0.347 4.697 4.350 -0.000 0.000 0.176 322 T C 0.136 174.752 174.700 -0.140 0.000 0.826 322 T CA -0.427 61.646 62.100 -0.045 0.000 1.280 322 T CB -0.252 68.653 68.868 0.063 0.000 2.214 322 T HN 0.748 nan 8.240 nan 0.000 0.399 323 E N 0.737 120.757 120.200 -0.301 0.000 2.156 323 E HA 0.457 4.807 4.350 -0.000 0.000 0.279 323 E C -1.226 174.959 176.600 -0.692 0.000 0.965 323 E CA -0.823 55.263 56.400 -0.523 0.000 0.789 323 E CB 0.721 30.040 29.700 -0.636 0.000 1.098 323 E HN 0.385 nan 8.360 nan 0.000 0.397 324 I N 3.777 124.102 120.570 -0.409 0.000 2.390 324 I HA 0.374 4.544 4.170 -0.000 0.000 0.283 324 I C -0.119 175.851 176.117 -0.245 0.000 1.016 324 I CA -0.589 60.523 61.300 -0.314 0.000 1.151 324 I CB 0.584 38.479 38.000 -0.175 0.000 1.293 324 I HN 0.491 nan 8.210 nan 0.000 0.458 325 A N 4.495 127.164 122.820 -0.251 0.000 2.324 325 A HA 0.798 5.118 4.320 -0.000 0.000 0.330 325 A C -0.049 177.514 177.584 -0.036 0.000 1.165 325 A CA -0.480 51.474 52.037 -0.139 0.000 0.813 325 A CB 1.448 20.358 19.000 -0.149 0.000 1.197 325 A HN 0.618 nan 8.150 nan 0.000 0.484 326 T N 1.860 116.416 114.554 0.003 0.000 2.900 326 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 326 T C -2.218 172.542 174.700 0.100 0.000 1.044 326 T CA -1.720 60.415 62.100 0.059 0.000 0.995 326 T CB 1.623 70.519 68.868 0.047 0.000 1.072 326 T HN 0.283 nan 8.240 nan 0.000 0.473 327 P HA 0.136 nan 4.420 nan 0.000 0.218 327 P C -0.358 177.106 177.300 0.272 0.000 1.149 327 P CA 0.749 63.965 63.100 0.194 0.000 0.817 327 P CB 0.097 31.926 31.700 0.216 0.000 0.785 328 F N -1.115 118.893 119.950 0.097 0.000 2.635 328 F HA 0.494 5.021 4.527 -0.000 0.000 0.314 328 F C -1.968 173.897 175.800 0.108 0.000 1.119 328 F CA -1.212 56.848 58.000 0.100 0.000 1.000 328 F CB 1.306 40.378 39.000 0.120 0.000 1.278 328 F HN -0.384 nan 8.300 nan 0.000 0.446 329 L N 6.755 127.543 121.223 -0.725 0.000 2.353 329 L HA 0.362 4.702 4.340 -0.000 0.000 0.270 329 L C -0.984 175.464 176.870 -0.703 0.000 1.003 329 L CA -0.589 53.965 54.840 -0.477 0.000 0.862 329 L CB 0.311 42.227 42.059 -0.238 0.000 1.221 329 L HN 0.674 nan 8.230 nan 0.000 0.430 330 H N 5.240 124.018 119.070 -0.487 0.000 3.015 330 H HA 0.095 4.651 4.556 -0.000 0.000 0.268 330 H C 0.437 175.732 175.328 -0.056 0.000 1.113 330 H CA -0.054 55.896 56.048 -0.163 0.000 1.479 330 H CB 1.056 30.939 29.762 0.202 0.000 1.493 330 H HN 0.626 nan 8.280 nan 0.000 0.486 331 K N 3.897 124.240 120.400 -0.094 0.000 2.020 331 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 331 K C 2.001 178.665 176.600 0.107 0.000 1.050 331 K CA 1.407 57.688 56.287 -0.010 0.000 0.929 331 K CB -0.553 31.909 32.500 -0.064 0.000 0.714 331 K HN 0.618 nan 8.250 nan 0.000 0.443 332 A N 1.263 124.195 122.820 0.187 0.000 1.898 332 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 332 A C 2.351 180.049 177.584 0.190 0.000 1.181 332 A CA 1.242 53.391 52.037 0.186 0.000 0.620 332 A CB -0.570 18.553 19.000 0.205 0.000 0.819 332 A HN 0.220 nan 8.150 nan 0.000 0.442 333 I N -0.669 120.084 120.570 0.307 0.000 2.315 333 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 333 I C 1.916 178.172 176.117 0.232 0.000 1.117 333 I CA 0.925 62.334 61.300 0.181 0.000 1.404 333 I CB -0.142 37.898 38.000 0.068 0.000 1.071 333 I HN 0.244 nan 8.210 nan 0.000 0.419 334 M N -0.042 119.699 119.600 0.234 0.000 2.556 334 M HA 0.128 4.608 4.480 -0.000 0.000 0.245 334 M C 2.339 178.715 176.300 0.127 0.000 1.128 334 M CA 0.398 55.825 55.300 0.213 0.000 1.069 334 M CB -1.268 31.424 32.600 0.154 0.000 1.469 334 M HN 0.184 nan 8.290 nan 0.000 0.494 335 A N 1.906 124.778 122.820 0.087 0.000 1.869 335 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 335 A C -0.235 177.364 177.584 0.026 0.000 1.203 335 A CA 1.815 53.878 52.037 0.043 0.000 0.638 335 A CB -2.089 16.927 19.000 0.025 0.000 0.831 335 A HN 0.305 nan 8.150 nan 0.000 0.450 336 P HA -0.123 nan 4.420 nan 0.000 0.216 336 P C 0.760 178.068 177.300 0.013 0.000 1.150 336 P CA 1.444 64.531 63.100 -0.021 0.000 0.837 336 P CB -0.063 31.587 31.700 -0.082 0.000 0.786 337 D N -1.000 119.437 120.400 0.062 0.000 2.137 337 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 337 D C 2.062 178.408 176.300 0.076 0.000 0.970 337 D CA 0.870 54.929 54.000 0.098 0.000 0.837 337 D CB -0.431 40.484 40.800 0.191 0.000 0.981 337 D HN 0.143 nan 8.370 nan 0.000 0.475 338 L N 1.049 122.314 121.223 0.070 0.000 2.079 338 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 338 L C 2.529 179.429 176.870 0.049 0.000 1.081 338 L CA 1.110 55.981 54.840 0.052 0.000 0.752 338 L CB -0.359 41.723 42.059 0.039 0.000 0.896 338 L HN -0.028 nan 8.230 nan 0.000 0.433 339 A N -0.432 122.411 122.820 0.039 0.000 2.070 339 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 339 A C 2.120 179.732 177.584 0.048 0.000 1.159 339 A CA 1.257 53.316 52.037 0.036 0.000 0.656 339 A CB -0.398 18.610 19.000 0.014 0.000 0.800 339 A HN 0.444 nan 8.150 nan 0.000 0.453 340 L N -1.054 120.193 121.223 0.039 0.000 2.463 340 L HA 0.247 4.587 4.340 -0.000 0.000 0.219 340 L C 0.735 177.673 176.870 0.113 0.000 1.088 340 L CA -0.298 54.548 54.840 0.010 0.000 0.849 340 L CB -0.124 41.908 42.059 -0.044 0.000 1.012 340 L HN 0.241 nan 8.230 nan 0.000 0.468 341 L N 2.399 123.696 121.223 0.125 0.000 2.499 341 L HA 0.119 4.459 4.340 -0.000 0.000 0.273 341 L C -1.953 175.041 176.870 0.208 0.000 1.195 341 L CA -1.490 53.434 54.840 0.141 0.000 0.882 341 L CB 0.822 42.923 42.059 0.071 0.000 1.133 341 L HN -0.201 nan 8.230 nan 0.000 0.483 342 P HA 0.021 nan 4.420 nan 0.000 0.265 342 P C 0.345 177.617 177.300 -0.047 0.000 1.193 342 P CA 0.062 63.171 63.100 0.015 0.000 0.765 342 P CB 0.663 32.309 31.700 -0.090 0.000 0.823 343 S N 2.092 117.731 115.700 -0.102 0.000 2.419 343 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 343 S C 1.584 176.142 174.600 -0.070 0.000 1.019 343 S CA 1.394 59.553 58.200 -0.069 0.000 0.982 343 S CB -0.818 62.332 63.200 -0.083 0.000 0.789 343 S HN 0.672 nan 8.310 nan 0.000 0.490 344 N N 1.313 119.958 118.700 -0.091 0.000 2.396 344 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 344 N C -0.093 175.379 175.510 -0.063 0.000 1.028 344 N CA 0.550 53.555 53.050 -0.075 0.000 0.893 344 N CB -0.859 37.577 38.487 -0.085 0.000 0.967 344 N HN 0.142 nan 8.380 nan 0.000 0.440 345 T N 1.604 116.120 114.554 -0.062 0.000 2.866 345 T HA 0.219 4.569 4.350 -0.000 0.000 0.293 345 T C 0.279 174.937 174.700 -0.070 0.000 1.005 345 T CA 0.044 62.104 62.100 -0.067 0.000 1.162 345 T CB 0.533 69.367 68.868 -0.057 0.000 0.968 345 T HN 0.385 nan 8.240 nan 0.000 0.530 346 A N 5.102 127.870 122.820 -0.087 0.000 2.302 346 A HA 0.547 4.867 4.320 -0.000 0.000 0.295 346 A C 0.110 177.626 177.584 -0.113 0.000 1.235 346 A CA -0.611 51.374 52.037 -0.087 0.000 0.876 346 A CB -0.070 18.881 19.000 -0.081 0.000 1.133 346 A HN 0.852 nan 8.150 nan 0.000 0.533 347 L N 2.538 123.710 121.223 -0.086 0.000 2.307 347 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 347 L C 0.156 176.978 176.870 -0.080 0.000 1.051 347 L CA -0.135 54.652 54.840 -0.087 0.000 0.804 347 L CB 1.866 43.888 42.059 -0.061 0.000 1.197 347 L HN 0.637 nan 8.230 nan 0.000 0.431 348 T N 1.945 116.445 114.554 -0.089 0.000 2.848 348 T HA 0.279 4.629 4.350 -0.000 0.000 0.285 348 T C -0.830 173.845 174.700 -0.041 0.000 0.995 348 T CA -0.579 61.483 62.100 -0.064 0.000 0.970 348 T CB 1.881 70.701 68.868 -0.079 0.000 0.976 348 T HN 0.513 nan 8.240 nan 0.000 0.441 349 E N 1.960 122.147 120.200 -0.021 0.000 2.158 349 E HA 0.564 4.914 4.350 -0.000 0.000 0.271 349 E C 0.554 177.174 176.600 0.034 0.000 0.911 349 E CA -0.090 56.309 56.400 -0.000 0.000 0.767 349 E CB 0.802 30.486 29.700 -0.027 0.000 1.120 349 E HN 0.954 nan 8.360 nan 0.000 0.405 350 G N 3.399 112.238 108.800 0.065 0.000 2.484 350 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.225 350 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.225 350 G C -0.649 174.296 174.900 0.076 0.000 1.250 350 G CA -0.010 45.139 45.100 0.081 0.000 0.926 350 G HN 0.692 nan 8.290 nan 0.000 0.581 351 Q N -0.605 119.240 119.800 0.075 0.000 2.599 351 Q HA 0.438 4.778 4.340 -0.000 0.000 0.248 351 Q C -2.546 173.500 176.000 0.076 0.000 0.964 351 Q CA -0.459 55.397 55.803 0.088 0.000 1.011 351 Q CB 1.647 30.450 28.738 0.109 0.000 1.592 351 Q HN 0.730 nan 8.270 nan 0.000 0.443 352 D N 4.297 124.744 120.400 0.079 0.000 2.464 352 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 352 D C 0.468 176.821 176.300 0.089 0.000 1.104 352 D CA -0.463 53.579 54.000 0.069 0.000 0.883 352 D CB 1.397 42.232 40.800 0.057 0.000 1.050 352 D HN 0.587 nan 8.370 nan 0.000 0.524 353 L N 4.056 125.328 121.223 0.081 0.000 1.971 353 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 353 L C 1.786 178.716 176.870 0.101 0.000 1.072 353 L CA 1.950 56.847 54.840 0.095 0.000 0.758 353 L CB -0.225 41.856 42.059 0.036 0.000 0.889 353 L HN 0.410 nan 8.230 nan 0.000 0.433 354 E N -0.263 119.974 120.200 0.063 0.000 2.110 354 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 354 E C 2.155 178.798 176.600 0.071 0.000 0.988 354 E CA 1.248 57.681 56.400 0.055 0.000 0.804 354 E CB -0.440 29.280 29.700 0.034 0.000 0.745 354 E HN 0.668 nan 8.360 nan 0.000 0.458 355 A N 1.281 124.145 122.820 0.073 0.000 1.873 355 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 355 A C 2.197 179.842 177.584 0.101 0.000 1.186 355 A CA 1.775 53.855 52.037 0.073 0.000 0.616 355 A CB -0.585 18.452 19.000 0.061 0.000 0.823 355 A HN 0.239 nan 8.150 nan 0.000 0.442 356 Q N -0.514 119.369 119.800 0.138 0.000 2.084 356 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 356 Q C 1.948 178.092 176.000 0.240 0.000 0.978 356 Q CA 1.421 57.341 55.803 0.196 0.000 0.844 356 Q CB -0.240 28.644 28.738 0.244 0.000 0.898 356 Q HN 0.667 nan 8.270 nan 0.000 0.426 357 L N 0.546 121.916 121.223 0.246 0.000 2.131 357 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 357 L C 1.820 178.768 176.870 0.130 0.000 1.092 357 L CA 1.011 55.972 54.840 0.202 0.000 0.759 357 L CB -0.257 41.864 42.059 0.105 0.000 0.903 357 L HN 0.253 nan 8.230 nan 0.000 0.435 358 D N -0.197 120.261 120.400 0.098 0.000 2.097 358 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 358 D C 2.340 178.672 176.300 0.054 0.000 0.984 358 D CA 1.006 55.046 54.000 0.066 0.000 0.826 358 D CB -0.058 40.775 40.800 0.054 0.000 0.973 358 D HN 0.177 nan 8.370 nan 0.000 0.460 359 R N -0.176 120.369 120.500 0.075 0.000 2.091 359 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 359 R C 2.379 178.692 176.300 0.022 0.000 1.136 359 R CA 1.067 57.212 56.100 0.075 0.000 0.959 359 R CB -0.523 29.853 30.300 0.127 0.000 0.856 359 R HN 0.432 nan 8.270 nan 0.000 0.437 360 H N 1.033 119.997 119.070 -0.176 0.000 2.290 360 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 360 H C 1.853 176.968 175.328 -0.354 0.000 1.087 360 H CA 1.703 57.404 56.048 -0.578 0.000 1.291 360 H CB 0.115 29.439 29.762 -0.730 0.000 1.369 360 H HN 0.249 nan 8.280 nan 0.000 0.492 361 E N 0.223 120.318 120.200 -0.176 0.000 2.110 361 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 361 E C 2.282 178.827 176.600 -0.090 0.000 0.988 361 E CA 0.850 57.185 56.400 -0.109 0.000 0.804 361 E CB -0.068 29.660 29.700 0.047 0.000 0.745 361 E HN 0.573 nan 8.360 nan 0.000 0.458 362 A N 0.822 123.603 122.820 -0.065 0.000 1.930 362 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 362 A C 2.122 179.673 177.584 -0.056 0.000 1.175 362 A CA 0.933 52.949 52.037 -0.036 0.000 0.627 362 A CB -0.436 18.558 19.000 -0.009 0.000 0.815 362 A HN 0.232 nan 8.150 nan 0.000 0.443 363 I N -1.135 119.376 120.570 -0.098 0.000 2.252 363 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 363 I C 0.903 176.953 176.117 -0.112 0.000 1.102 363 I CA 1.004 62.254 61.300 -0.082 0.000 1.385 363 I CB -0.316 37.664 38.000 -0.033 0.000 1.064 363 I HN 0.504 nan 8.210 nan 0.000 0.414 364 N N 0.492 119.065 118.700 -0.212 0.000 2.708 364 N HA -0.115 4.625 4.740 -0.000 0.000 0.255 364 N C -2.285 173.175 175.510 -0.083 0.000 1.046 364 N CA 0.030 53.008 53.050 -0.121 0.000 0.715 364 N CB -0.694 37.787 38.487 -0.010 0.000 0.895 364 N HN 0.204 nan 8.380 nan 0.000 0.545 365 P HA 0.177 nan 4.420 nan 0.000 0.274 365 P C 0.179 177.516 177.300 0.062 0.000 1.231 365 P CA -0.184 62.905 63.100 -0.019 0.000 0.790 365 P CB 0.769 32.485 31.700 0.027 0.000 0.951 366 D N 0.258 120.704 120.400 0.077 0.000 2.097 366 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 366 D C 0.525 176.903 176.300 0.130 0.000 0.984 366 D CA 1.547 55.602 54.000 0.091 0.000 0.826 366 D CB 0.000 40.841 40.800 0.067 0.000 0.973 366 D HN 0.166 nan 8.370 nan 0.000 0.460 367 L N 0.328 121.640 121.223 0.148 0.000 2.362 367 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 367 L C -1.007 176.013 176.870 0.250 0.000 0.998 367 L CA -0.235 54.721 54.840 0.193 0.000 0.820 367 L CB 2.318 44.492 42.059 0.191 0.000 1.270 367 L HN -0.300 nan 8.230 nan 0.000 0.415 368 T N 4.223 118.949 114.554 0.285 0.000 2.791 368 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 368 T C -0.554 174.346 174.700 0.334 0.000 0.999 368 T CA -0.398 61.920 62.100 0.364 0.000 0.952 368 T CB 1.292 70.391 68.868 0.384 0.000 0.938 368 T HN 0.308 nan 8.240 nan 0.000 0.444 369 V N 4.258 124.390 119.914 0.364 0.000 2.461 369 V HA 0.573 4.693 4.120 -0.000 0.000 0.275 369 V C 0.594 176.903 176.094 0.358 0.000 1.047 369 V CA -0.547 61.937 62.300 0.306 0.000 0.955 369 V CB 0.001 31.998 31.823 0.290 0.000 0.988 369 V HN 1.212 nan 8.190 nan 0.000 0.471 370 C N 2.590 122.034 119.300 0.239 0.000 3.321 370 C HA 0.895 5.355 4.460 -0.000 0.000 0.329 370 C C 0.522 175.542 174.990 0.049 0.000 1.394 370 C CA -0.429 58.676 59.018 0.145 0.000 1.291 370 C CB 1.061 28.772 27.740 -0.049 0.000 1.606 370 C HN 1.027 nan 8.230 nan 0.000 0.463 371 G N 0.118 108.877 108.800 -0.068 0.000 2.651 371 G HA2 0.453 4.413 3.960 -0.000 0.000 0.260 371 G HA3 0.453 4.413 3.960 -0.000 0.000 0.260 371 G C 0.333 175.179 174.900 -0.090 0.000 1.216 371 G CA -0.477 44.558 45.100 -0.107 0.000 0.913 371 G HN 0.818 nan 8.290 nan 0.000 0.535 372 L N 1.097 122.268 121.223 -0.086 0.000 2.376 372 L HA 0.099 4.439 4.340 -0.000 0.000 0.219 372 L C 2.830 179.619 176.870 -0.134 0.000 1.133 372 L CA 1.439 56.229 54.840 -0.083 0.000 0.816 372 L CB -0.932 41.088 42.059 -0.065 0.000 0.933 372 L HN 0.676 nan 8.230 nan 0.000 0.449 373 G N -1.687 107.000 108.800 -0.188 0.000 2.511 373 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 373 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 373 G C 1.436 176.225 174.900 -0.186 0.000 1.133 373 G CA 0.162 45.153 45.100 -0.181 0.000 0.792 373 G HN 0.264 nan 8.290 nan 0.000 0.539 374 L N 0.354 121.442 121.223 -0.225 0.000 2.470 374 L HA 0.463 4.803 4.340 -0.000 0.000 0.219 374 L C 2.911 179.667 176.870 -0.190 0.000 1.071 374 L CA 0.790 55.466 54.840 -0.274 0.000 0.850 374 L CB -0.457 41.312 42.059 -0.483 0.000 1.040 374 L HN 0.201 nan 8.230 nan 0.000 0.475 375 A N 0.228 122.974 122.820 -0.123 0.000 1.841 375 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 375 A C 2.114 179.675 177.584 -0.038 0.000 1.199 375 A CA 2.401 54.409 52.037 -0.048 0.000 0.621 375 A CB -0.886 18.116 19.000 0.003 0.000 0.835 375 A HN 0.540 nan 8.150 nan 0.000 0.445 376 N N -0.198 118.468 118.700 -0.057 0.000 2.084 376 N HA -0.100 4.640 4.740 -0.000 0.000 0.190 376 N C -1.017 174.473 175.510 -0.034 0.000 1.030 376 N CA 1.486 54.509 53.050 -0.045 0.000 0.849 376 N CB -0.729 37.723 38.487 -0.059 0.000 1.012 376 N HN 0.342 nan 8.380 nan 0.000 0.423 377 P HA -0.138 nan 4.420 nan 0.000 0.216 377 P C 1.133 178.429 177.300 -0.006 0.000 1.150 377 P CA 0.853 63.929 63.100 -0.039 0.000 0.843 377 P CB 0.121 31.780 31.700 -0.069 0.000 0.787 378 L N -0.363 120.854 121.223 -0.010 0.000 2.072 378 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 378 L C 2.267 179.220 176.870 0.138 0.000 1.079 378 L CA 1.812 56.700 54.840 0.079 0.000 0.752 378 L CB -1.589 40.466 42.059 -0.007 0.000 0.906 378 L HN -0.035 nan 8.230 nan 0.000 0.436 379 E N -0.285 119.958 120.200 0.071 0.000 2.058 379 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 379 E C 2.180 178.793 176.600 0.023 0.000 0.997 379 E CA 1.443 57.877 56.400 0.055 0.000 0.801 379 E CB -0.294 29.425 29.700 0.031 0.000 0.746 379 E HN 0.437 nan 8.360 nan 0.000 0.450 380 A N 1.247 124.074 122.820 0.011 0.000 2.125 380 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 380 A C 1.834 179.411 177.584 -0.012 0.000 1.156 380 A CA 1.092 53.127 52.037 -0.004 0.000 0.671 380 A CB -0.205 18.791 19.000 -0.008 0.000 0.794 380 A HN 0.053 nan 8.150 nan 0.000 0.459 381 K N -1.356 119.045 120.400 0.001 0.000 2.417 381 K HA 0.210 4.530 4.320 -0.000 0.000 0.196 381 K C 0.925 177.390 176.600 -0.225 0.000 1.023 381 K CA 0.519 56.779 56.287 -0.044 0.000 1.122 381 K CB 0.069 32.621 32.500 0.086 0.000 0.850 381 K HN 0.641 nan 8.250 nan 0.000 0.521 382 G N 2.057 110.758 108.800 -0.165 0.000 2.141 382 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.242 382 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.242 382 G C -0.350 174.408 174.900 -0.236 0.000 0.982 382 G CA -0.267 44.714 45.100 -0.198 0.000 0.662 382 G HN 0.406 nan 8.290 nan 0.000 0.527 383 H N 0.578 119.683 119.070 0.058 0.000 2.556 383 H HA 0.607 5.163 4.556 -0.000 0.000 0.310 383 H C 0.775 176.157 175.328 0.089 0.000 1.057 383 H CA 0.077 56.179 56.048 0.091 0.000 1.264 383 H CB 1.278 31.144 29.762 0.174 0.000 1.404 383 H HN 0.549 nan 8.280 nan 0.000 0.462 384 A N 3.864 126.797 122.820 0.190 0.000 2.520 384 A HA 0.308 4.628 4.320 -0.000 0.000 0.245 384 A C 0.827 178.523 177.584 0.187 0.000 1.072 384 A CA -0.040 52.090 52.037 0.154 0.000 0.761 384 A CB -0.145 18.932 19.000 0.127 0.000 1.004 384 A HN 0.775 nan 8.150 nan 0.000 0.499 385 T N 0.149 114.802 114.554 0.165 0.000 2.942 385 T HA 0.712 5.062 4.350 -0.000 0.000 0.289 385 T C -0.584 174.219 174.700 0.171 0.000 1.044 385 T CA -0.944 61.261 62.100 0.176 0.000 1.023 385 T CB 1.719 70.675 68.868 0.147 0.000 1.123 385 T HN 0.504 nan 8.240 nan 0.000 0.512 386 K N 2.407 122.906 120.400 0.165 0.000 2.604 386 K HA 0.193 4.513 4.320 -0.000 0.000 0.247 386 K C -0.557 176.079 176.600 0.060 0.000 0.956 386 K CA -0.793 55.532 56.287 0.064 0.000 0.896 386 K CB 0.825 33.297 32.500 -0.047 0.000 1.131 386 K HN 0.863 nan 8.250 nan 0.000 0.440 387 W N 3.645 124.926 121.300 -0.032 0.000 2.264 387 W HA 0.182 4.842 4.660 -0.000 0.000 0.331 387 W C 0.397 176.909 176.519 -0.013 0.000 1.364 387 W CA -0.221 57.110 57.345 -0.024 0.000 1.253 387 W CB -0.438 29.002 29.460 -0.034 0.000 1.215 387 W HN 0.565 nan 8.180 nan 0.000 0.561 388 A N 4.669 127.557 122.820 0.113 0.000 1.969 388 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 388 A C 2.044 179.666 177.584 0.064 0.000 1.169 388 A CA 1.359 53.425 52.037 0.049 0.000 0.635 388 A CB -0.478 18.595 19.000 0.121 0.000 0.810 388 A HN 0.716 nan 8.150 nan 0.000 0.445 389 I N -0.476 120.220 120.570 0.210 0.000 2.335 389 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 389 I C 2.404 178.608 176.117 0.145 0.000 1.129 389 I CA 1.709 63.224 61.300 0.358 0.000 1.402 389 I CB -0.477 37.829 38.000 0.509 0.000 1.069 389 I HN 0.478 nan 8.210 nan 0.000 0.424 390 E N 1.400 121.311 120.200 -0.482 0.000 2.160 390 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 390 E C 2.204 178.620 176.600 -0.308 0.000 0.991 390 E CA 1.011 57.003 56.400 -0.680 0.000 0.810 390 E CB -0.042 28.743 29.700 -1.525 0.000 0.742 390 E HN 0.530 nan 8.360 nan 0.000 0.466 391 L N -0.246 120.817 121.223 -0.267 0.000 2.376 391 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 391 L C 1.913 178.692 176.870 -0.150 0.000 1.133 391 L CA 0.223 54.940 54.840 -0.206 0.000 0.816 391 L CB 0.124 42.078 42.059 -0.175 0.000 0.933 391 L HN 0.043 nan 8.230 nan 0.000 0.449 392 V N -1.996 117.850 119.914 -0.113 0.000 3.644 392 V HA 0.033 4.153 4.120 -0.000 0.000 0.267 392 V C 0.884 176.699 176.094 -0.464 0.000 1.277 392 V CA 0.691 62.782 62.300 -0.349 0.000 1.096 392 V CB 0.079 31.557 31.823 -0.575 0.000 0.828 392 V HN 0.262 nan 8.190 nan 0.000 0.446 393 F N -0.017 119.836 119.950 -0.161 0.000 2.735 393 F HA 0.354 4.881 4.527 -0.000 0.000 0.304 393 F C 0.672 176.432 175.800 -0.066 0.000 1.119 393 F CA 0.093 58.044 58.000 -0.082 0.000 1.280 393 F CB 0.857 39.874 39.000 0.029 0.000 0.994 393 F HN -0.030 nan 8.300 nan 0.000 0.520 394 T N 0.380 114.932 114.554 -0.003 0.000 2.893 394 T HA 0.345 4.695 4.350 -0.000 0.000 0.293 394 T C -2.745 171.942 174.700 -0.023 0.000 1.027 394 T CA -1.726 60.367 62.100 -0.013 0.000 0.988 394 T CB 2.086 70.915 68.868 -0.064 0.000 1.043 394 T HN -0.315 nan 8.240 nan 0.000 0.461 395 P HA 0.161 nan 4.420 nan 0.000 0.265 395 P C 0.589 177.907 177.300 0.031 0.000 1.222 395 P CA -0.114 63.001 63.100 0.026 0.000 0.767 395 P CB 0.321 32.033 31.700 0.020 0.000 0.801 396 V N 0.087 120.046 119.914 0.076 0.000 3.426 396 V HA 0.230 4.350 4.120 -0.000 0.000 0.271 396 V C 0.367 176.458 176.094 -0.006 0.000 1.530 396 V CA 0.127 62.431 62.300 0.007 0.000 1.021 396 V CB -1.015 30.767 31.823 -0.069 0.000 0.824 396 V HN 0.302 nan 8.190 nan 0.000 0.432 397 H N 0.468 119.519 119.070 -0.032 0.000 2.547 397 H HA 0.680 5.236 4.556 -0.000 0.000 0.362 397 H C -0.264 174.988 175.328 -0.127 0.000 1.181 397 H CA 0.001 55.884 56.048 -0.275 0.000 1.376 397 H CB 0.160 29.707 29.762 -0.360 0.000 1.488 397 H HN 0.213 nan 8.280 nan 0.000 0.583 398 F N -1.974 117.791 119.950 -0.308 0.000 2.183 398 F HA -0.375 4.152 4.527 -0.000 0.000 0.318 398 F C 0.619 176.294 175.800 -0.208 0.000 0.132 398 F CA 0.335 58.117 58.000 -0.364 0.000 0.912 398 F CB -1.024 37.785 39.000 -0.319 0.000 4.135 398 F HN 0.543 nan 8.300 nan 0.000 0.137 399 Y N -0.643 119.745 120.300 0.147 0.000 2.163 399 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 399 Y C 2.199 178.132 175.900 0.056 0.000 1.136 399 Y CA 1.647 59.789 58.100 0.070 0.000 1.147 399 Y CB -0.637 37.862 38.460 0.065 0.000 0.987 399 Y HN 0.572 nan 8.280 nan 0.000 0.509 400 E N 0.355 120.689 120.200 0.223 0.000 2.265 400 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 400 E C 1.201 177.861 176.600 0.100 0.000 0.996 400 E CA 1.125 57.604 56.400 0.132 0.000 0.832 400 E CB -0.078 29.677 29.700 0.091 0.000 0.756 400 E HN 0.398 nan 8.360 nan 0.000 0.491 401 Q N -1.576 118.277 119.800 0.090 0.000 2.247 401 Q HA 0.404 4.744 4.340 -0.000 0.000 0.211 401 Q C 1.354 177.370 176.000 0.027 0.000 0.861 401 Q CA 0.527 56.362 55.803 0.053 0.000 0.949 401 Q CB 0.713 29.476 28.738 0.041 0.000 1.115 401 Q HN 0.277 nan 8.270 nan 0.000 0.507 402 A N 0.257 123.110 122.820 0.055 0.000 1.902 402 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 402 A C 2.096 179.753 177.584 0.122 0.000 1.181 402 A CA 1.759 53.818 52.037 0.038 0.000 0.623 402 A CB -1.010 18.068 19.000 0.131 0.000 0.818 402 A HN 0.445 nan 8.150 nan 0.000 0.443 403 G N -0.126 108.772 108.800 0.164 0.000 2.404 403 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 403 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 403 G C 1.119 176.089 174.900 0.118 0.000 1.174 403 G CA 1.156 46.393 45.100 0.230 0.000 0.780 403 G HN 0.444 nan 8.290 nan 0.000 0.537 404 D N 0.283 120.730 120.400 0.079 0.000 2.133 404 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 404 D C 2.368 178.639 176.300 -0.048 0.000 0.997 404 D CA 0.865 54.873 54.000 0.013 0.000 0.840 404 D CB -0.423 40.389 40.800 0.020 0.000 0.947 404 D HN 0.252 nan 8.370 nan 0.000 0.452 405 L N 0.973 122.176 121.223 -0.033 0.000 1.994 405 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 405 L C 2.191 179.160 176.870 0.165 0.000 1.071 405 L CA 2.105 56.929 54.840 -0.026 0.000 0.745 405 L CB -0.968 40.971 42.059 -0.201 0.000 0.892 405 L HN 0.003 nan 8.230 nan 0.000 0.431 406 A N -0.399 122.554 122.820 0.222 0.000 1.883 406 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 406 A C 2.372 179.860 177.584 -0.160 0.000 1.186 406 A CA 1.811 53.974 52.037 0.210 0.000 0.624 406 A CB -1.743 17.374 19.000 0.196 0.000 0.822 406 A HN 0.572 nan 8.150 nan 0.000 0.444 407 G N -0.420 108.020 108.800 -0.599 0.000 2.469 407 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 407 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 407 G C 1.325 176.116 174.900 -0.183 0.000 1.136 407 G CA 1.219 45.984 45.100 -0.557 0.000 0.759 407 G HN 0.359 nan 8.290 nan 0.000 0.562 408 L N -0.410 120.705 121.223 -0.181 0.000 2.127 408 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 408 L C 2.443 179.054 176.870 -0.432 0.000 1.089 408 L CA 1.297 55.934 54.840 -0.338 0.000 0.757 408 L CB -0.790 40.960 42.059 -0.515 0.000 0.899 408 L HN 0.288 nan 8.230 nan 0.000 0.434 409 F N -1.690 118.218 119.950 -0.070 0.000 2.446 409 F HA -0.018 4.509 4.527 -0.000 0.000 0.292 409 F C 2.597 178.399 175.800 0.003 0.000 1.096 409 F CA 0.735 58.720 58.000 -0.025 0.000 1.438 409 F CB -0.777 38.218 39.000 -0.009 0.000 1.107 409 F HN 0.089 nan 8.300 nan 0.000 0.546 410 S N 0.562 116.355 115.700 0.154 0.000 2.406 410 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 410 S C 2.089 176.758 174.600 0.115 0.000 1.020 410 S CA 0.853 59.140 58.200 0.144 0.000 0.965 410 S CB -0.570 62.752 63.200 0.205 0.000 0.798 410 S HN 0.330 nan 8.310 nan 0.000 0.488 411 R N 2.754 123.299 120.500 0.075 0.000 2.094 411 R HA -0.045 4.295 4.340 -0.000 0.000 0.239 411 R C -0.682 175.663 176.300 0.075 0.000 1.137 411 R CA 2.178 58.320 56.100 0.070 0.000 0.943 411 R CB -1.319 29.006 30.300 0.043 0.000 0.850 411 R HN 0.429 nan 8.270 nan 0.000 0.433 412 P HA -0.136 nan 4.420 nan 0.000 0.220 412 P C 1.126 178.479 177.300 0.089 0.000 1.148 412 P CA 1.314 64.467 63.100 0.089 0.000 0.803 412 P CB -0.031 31.729 31.700 0.100 0.000 0.782 413 L N -0.767 120.513 121.223 0.094 0.000 2.131 413 L HA -0.018 4.322 4.340 -0.000 0.000 0.206 413 L C 2.957 179.871 176.870 0.074 0.000 1.087 413 L CA 1.075 55.967 54.840 0.087 0.000 0.767 413 L CB -0.613 41.502 42.059 0.094 0.000 0.917 413 L HN -0.130 nan 8.230 nan 0.000 0.441 414 R N -0.038 120.509 120.500 0.078 0.000 2.092 414 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 414 R C 2.321 178.656 176.300 0.058 0.000 1.119 414 R CA 1.074 57.216 56.100 0.069 0.000 0.970 414 R CB -0.368 29.981 30.300 0.080 0.000 0.864 414 R HN 0.327 nan 8.270 nan 0.000 0.440 415 R N 1.259 121.795 120.500 0.061 0.000 2.066 415 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 415 R C 2.423 178.749 176.300 0.044 0.000 1.131 415 R CA 1.388 57.519 56.100 0.051 0.000 0.955 415 R CB -0.176 30.157 30.300 0.055 0.000 0.851 415 R HN 0.064 nan 8.270 nan 0.000 0.432 416 R N 0.155 120.684 120.500 0.049 0.000 2.096 416 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 416 R C 2.058 178.378 176.300 0.033 0.000 1.139 416 R CA 1.870 57.995 56.100 0.041 0.000 0.952 416 R CB -0.412 29.917 30.300 0.048 0.000 0.854 416 R HN 0.339 nan 8.270 nan 0.000 0.436 417 A N 0.928 123.770 122.820 0.037 0.000 1.902 417 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 417 A C 2.050 179.650 177.584 0.026 0.000 1.181 417 A CA 1.026 53.082 52.037 0.030 0.000 0.623 417 A CB -0.531 18.489 19.000 0.034 0.000 0.818 417 A HN 0.338 nan 8.150 nan 0.000 0.443 418 L N -0.332 120.909 121.223 0.029 0.000 2.083 418 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 418 L C 2.066 178.948 176.870 0.021 0.000 1.083 418 L CA 1.546 56.401 54.840 0.026 0.000 0.752 418 L CB -0.458 41.618 42.059 0.030 0.000 0.899 418 L HN 0.413 nan 8.230 nan 0.000 0.433 419 L N -1.020 120.215 121.223 0.021 0.000 2.591 419 L HA 0.111 4.451 4.340 -0.000 0.000 0.228 419 L C -0.047 176.830 176.870 0.012 0.000 1.133 419 L CA -0.077 54.772 54.840 0.016 0.000 0.880 419 L CB -0.652 41.416 42.059 0.016 0.000 1.033 419 L HN 0.491 nan 8.230 nan 0.000 0.450 420 N N 0.000 118.708 118.700 0.013 0.000 1.763 420 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 420 N CA 0.000 53.056 53.050 0.009 0.000 0.885 420 N CB 0.000 38.491 38.487 0.006 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667