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 2r5h_1_N DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.629 177.584 0.075 0.000 1.274 20 A CA 0.000 52.054 52.037 0.028 0.000 0.836 20 A CB 0.000 19.021 19.000 0.035 0.000 0.831 21 V N 1.902 121.781 119.914 -0.060 0.000 2.743 21 V HA 0.788 4.908 4.120 -0.000 0.000 0.301 21 V C 0.532 176.586 176.094 -0.067 0.000 1.057 21 V CA -0.139 62.136 62.300 -0.041 0.000 1.006 21 V CB 1.406 32.915 31.823 -0.524 0.000 1.024 21 V HN 1.614 nan 8.190 nan 0.000 0.473 22 V N -0.292 119.664 119.914 0.070 0.000 3.114 22 V HA 0.673 4.793 4.120 -0.000 0.000 0.308 22 V C -0.027 176.282 176.094 0.358 0.000 1.168 22 V CA -0.822 61.556 62.300 0.131 0.000 1.015 22 V CB 1.595 33.436 31.823 0.031 0.000 1.050 22 V HN 0.853 nan 8.190 nan 0.000 0.433 23 S N 1.294 117.238 115.700 0.406 0.000 2.599 23 S HA 0.005 4.475 4.470 -0.000 0.000 0.303 23 S C 1.616 176.318 174.600 0.169 0.000 1.267 23 S CA 0.678 59.071 58.200 0.320 0.000 1.055 23 S CB 0.555 63.843 63.200 0.146 0.000 0.790 23 S HN 1.847 nan 8.310 nan 0.000 0.500 24 T N 1.425 116.036 114.554 0.095 0.000 2.995 24 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 24 T C 1.138 175.616 174.700 -0.369 0.000 1.091 24 T CA 1.201 63.094 62.100 -0.345 0.000 1.128 24 T CB -0.384 68.391 68.868 -0.154 0.000 0.891 24 T HN 0.635 nan 8.240 nan 0.000 0.492 25 D N 1.510 121.830 120.400 -0.133 0.000 2.280 25 D HA -0.087 4.553 4.640 -0.000 0.000 0.206 25 D C 1.988 178.228 176.300 -0.099 0.000 0.988 25 D CA 0.950 54.891 54.000 -0.098 0.000 0.886 25 D CB -0.108 40.671 40.800 -0.035 0.000 0.914 25 D HN 0.666 nan 8.370 nan 0.000 0.473 26 E N -0.376 119.770 120.200 -0.090 0.000 1.994 26 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 26 E C 2.193 178.807 176.600 0.024 0.000 0.982 26 E CA 0.781 57.184 56.400 0.005 0.000 0.855 26 E CB -0.422 29.328 29.700 0.084 0.000 0.806 26 E HN 0.474 nan 8.360 nan 0.000 0.495 27 Y N 0.312 120.644 120.300 0.054 0.000 2.465 27 Y HA 0.020 4.570 4.550 -0.000 0.000 0.289 27 Y C 0.679 176.675 175.900 0.161 0.000 1.150 27 Y CA -0.080 58.083 58.100 0.105 0.000 1.293 27 Y CB -0.472 38.060 38.460 0.121 0.000 0.977 27 Y HN -0.250 nan 8.280 nan 0.000 0.556 28 V N 1.078 120.873 119.914 -0.199 0.000 2.713 28 V HA 0.757 4.877 4.120 -0.000 0.000 0.307 28 V C 0.232 176.316 176.094 -0.017 0.000 1.052 28 V CA -0.829 61.457 62.300 -0.023 0.000 0.967 28 V CB 1.210 32.970 31.823 -0.105 0.000 1.019 28 V HN 0.393 nan 8.190 nan 0.000 0.459 29 A N 3.995 126.830 122.820 0.024 0.000 2.337 29 A HA 0.845 5.165 4.320 -0.000 0.000 0.331 29 A C -0.285 177.283 177.584 -0.026 0.000 1.137 29 A CA -0.834 51.206 52.037 0.004 0.000 0.807 29 A CB 1.129 20.146 19.000 0.028 0.000 1.250 29 A HN 0.803 nan 8.150 nan 0.000 0.468 30 R N 1.175 121.652 120.500 -0.038 0.000 2.409 30 R HA 0.442 4.782 4.340 -0.000 0.000 0.313 30 R C -0.091 176.153 176.300 -0.093 0.000 0.953 30 R CA -0.288 55.775 56.100 -0.061 0.000 0.849 30 R CB 1.775 32.054 30.300 -0.036 0.000 1.171 30 R HN 0.918 nan 8.270 nan 0.000 0.458 31 T N -1.095 113.360 114.554 -0.165 0.000 2.824 31 T HA 0.161 4.511 4.350 -0.000 0.000 0.277 31 T C 0.498 175.028 174.700 -0.284 0.000 0.975 31 T CA -0.635 61.329 62.100 -0.228 0.000 0.966 31 T CB 0.957 69.604 68.868 -0.369 0.000 1.054 31 T HN 0.529 nan 8.240 nan 0.000 0.533 32 N N 0.921 119.458 118.700 -0.271 0.000 2.920 32 N HA 0.253 4.993 4.740 -0.000 0.000 0.310 32 N C -0.973 174.322 175.510 -0.358 0.000 1.384 32 N CA -0.321 52.549 53.050 -0.301 0.000 1.083 32 N CB 0.047 38.462 38.487 -0.119 0.000 1.389 32 N HN 0.436 nan 8.380 nan 0.000 0.521 33 I N 1.649 121.924 120.570 -0.492 0.000 2.436 33 I HA 0.283 4.452 4.170 -0.000 0.000 0.289 33 I C -0.761 175.203 176.117 -0.256 0.000 1.010 33 I CA -0.603 60.524 61.300 -0.289 0.000 1.098 33 I CB 0.986 38.843 38.000 -0.239 0.000 1.266 33 I HN 0.107 nan 8.210 nan 0.000 0.434 34 Y N 5.871 126.306 120.300 0.225 0.000 2.326 34 Y HA 0.454 5.004 4.550 -0.000 0.000 0.329 34 Y C -0.704 175.294 175.900 0.163 0.000 0.973 34 Y CA -0.784 57.488 58.100 0.287 0.000 1.162 34 Y CB 1.864 40.500 38.460 0.295 0.000 1.147 34 Y HN 0.362 nan 8.280 nan 0.000 0.456 35 Y N 2.168 122.777 120.300 0.515 0.000 2.446 35 Y HA 0.317 4.867 4.550 -0.000 0.000 0.338 35 Y C 0.079 176.045 175.900 0.109 0.000 1.055 35 Y CA -0.922 57.358 58.100 0.300 0.000 1.101 35 Y CB 1.182 39.761 38.460 0.197 0.000 1.221 35 Y HN 0.536 nan 8.280 nan 0.000 0.460 36 H N 1.805 120.924 119.070 0.082 0.000 2.499 36 H HA 0.859 5.415 4.556 -0.000 0.000 0.340 36 H C -1.697 173.455 175.328 -0.293 0.000 1.148 36 H CA -0.750 55.246 56.048 -0.085 0.000 1.215 36 H CB 1.626 31.371 29.762 -0.030 0.000 1.529 36 H HN 0.794 nan 8.280 nan 0.000 0.510 37 A N 2.569 124.782 122.820 -1.011 0.000 2.513 37 A HA 0.627 4.947 4.320 -0.000 0.000 0.296 37 A C -0.960 176.400 177.584 -0.373 0.000 1.052 37 A CA 0.023 51.754 52.037 -0.509 0.000 0.714 37 A CB 1.430 19.986 19.000 -0.739 0.000 1.279 37 A HN 1.027 nan 8.150 nan 0.000 0.397 38 G N 0.703 109.411 108.800 -0.153 0.000 2.633 38 G HA2 0.629 4.589 3.960 -0.000 0.000 0.299 38 G HA3 0.629 4.589 3.960 -0.000 0.000 0.299 38 G C -0.304 174.586 174.900 -0.017 0.000 1.501 38 G CA 0.265 45.346 45.100 -0.031 0.000 0.887 38 G HN 1.873 nan 8.290 nan 0.000 0.561 39 T N -0.284 114.256 114.554 -0.023 0.000 2.867 39 T HA 0.196 4.546 4.350 -0.000 0.000 0.290 39 T C 1.898 176.599 174.700 0.003 0.000 1.025 39 T CA 0.875 62.964 62.100 -0.017 0.000 1.146 39 T CB 0.853 69.681 68.868 -0.067 0.000 1.024 39 T HN 1.549 nan 8.240 nan 0.000 0.519 40 S N 2.760 118.481 115.700 0.036 0.000 2.382 40 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 40 S C 1.015 175.638 174.600 0.038 0.000 1.027 40 S CA 0.733 58.962 58.200 0.047 0.000 0.991 40 S CB -0.376 62.864 63.200 0.066 0.000 0.823 40 S HN 1.032 nan 8.310 nan 0.000 0.469 41 R N -0.128 120.398 120.500 0.043 0.000 3.776 41 R HA 0.201 4.541 4.340 -0.000 0.000 0.314 41 R C -1.991 174.365 176.300 0.094 0.000 0.920 41 R CA -0.249 55.884 56.100 0.054 0.000 1.117 41 R CB -0.048 30.289 30.300 0.062 0.000 1.365 41 R HN 0.292 nan 8.270 nan 0.000 0.437 42 L N 4.222 125.497 121.223 0.087 0.000 2.375 42 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 42 L C -0.431 176.604 176.870 0.274 0.000 1.107 42 L CA -0.750 54.197 54.840 0.178 0.000 0.806 42 L CB 1.122 43.140 42.059 -0.069 0.000 1.146 42 L HN 0.446 nan 8.230 nan 0.000 0.447 43 L N 2.184 123.634 121.223 0.379 0.000 2.393 43 L HA 0.817 5.157 4.340 -0.000 0.000 0.260 43 L C -0.707 176.372 176.870 0.348 0.000 1.002 43 L CA -0.347 54.680 54.840 0.312 0.000 0.818 43 L CB 2.056 44.223 42.059 0.180 0.000 1.369 43 L HN 0.667 nan 8.230 nan 0.000 0.412 44 A N 2.232 125.197 122.820 0.242 0.000 2.422 44 A HA 0.895 5.215 4.320 -0.000 0.000 0.302 44 A C -1.800 175.800 177.584 0.026 0.000 1.041 44 A CA -0.527 51.581 52.037 0.119 0.000 0.708 44 A CB 1.905 21.004 19.000 0.165 0.000 1.257 44 A HN 0.417 nan 8.150 nan 0.000 0.414 45 V N 1.187 121.100 119.914 -0.002 0.000 2.808 45 V HA 0.875 4.995 4.120 -0.000 0.000 0.308 45 V C 0.504 176.598 176.094 0.001 0.000 1.099 45 V CA 0.544 62.841 62.300 -0.004 0.000 0.920 45 V CB 1.975 33.809 31.823 0.018 0.000 1.014 45 V HN 1.792 nan 8.190 nan 0.000 0.425 46 G N 2.310 111.121 108.800 0.018 0.000 2.604 46 G HA2 0.363 4.323 3.960 -0.000 0.000 0.242 46 G HA3 0.363 4.323 3.960 -0.000 0.000 0.242 46 G C -1.577 173.376 174.900 0.088 0.000 1.208 46 G CA -0.379 44.751 45.100 0.050 0.000 0.912 46 G HN 0.697 nan 8.290 nan 0.000 0.502 47 H N 1.966 121.031 119.070 -0.008 0.000 2.505 47 H HA 0.419 4.975 4.556 -0.000 0.000 0.338 47 H C -1.715 173.560 175.328 -0.088 0.000 1.057 47 H CA -1.804 54.216 56.048 -0.048 0.000 1.202 47 H CB 2.985 32.663 29.762 -0.139 0.000 1.466 47 H HN 0.173 nan 8.280 nan 0.000 0.499 48 P HA -0.135 nan 4.420 nan 0.000 0.229 48 P C -0.071 176.957 177.300 -0.453 0.000 1.150 48 P CA 1.202 64.103 63.100 -0.332 0.000 0.765 48 P CB 0.274 31.615 31.700 -0.598 0.000 0.783 49 Y N -0.513 119.801 120.300 0.024 0.000 2.817 49 Y HA 0.258 4.808 4.550 -0.000 0.000 0.257 49 Y C 1.344 177.292 175.900 0.079 0.000 1.055 49 Y CA -0.277 57.846 58.100 0.039 0.000 1.319 49 Y CB -0.215 38.270 38.460 0.041 0.000 1.481 49 Y HN -0.190 nan 8.280 nan 0.000 0.471 50 F N -0.512 119.665 119.950 0.378 0.000 2.613 50 F HA 0.810 5.337 4.527 -0.000 0.000 0.314 50 F C -3.306 172.518 175.800 0.039 0.000 1.075 50 F CA -3.541 54.538 58.000 0.131 0.000 0.945 50 F CB 0.825 39.848 39.000 0.039 0.000 1.310 50 F HN -0.321 nan 8.300 nan 0.000 0.467 51 P HA 0.241 nan 4.420 nan 0.000 0.282 51 P C -0.692 176.726 177.300 0.197 0.000 1.262 51 P CA 0.040 63.250 63.100 0.183 0.000 0.773 51 P CB 1.452 33.223 31.700 0.119 0.000 0.879 52 I N 4.868 125.522 120.570 0.139 0.000 2.363 52 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 52 I C 1.197 177.360 176.117 0.078 0.000 1.075 52 I CA 0.429 61.805 61.300 0.127 0.000 1.333 52 I CB -0.421 37.654 38.000 0.125 0.000 1.415 52 I HN 0.393 nan 8.210 nan 0.000 0.502 53 K N 4.038 124.473 120.400 0.059 0.000 2.439 53 K HA 0.688 5.008 4.320 -0.000 0.000 0.260 53 K C -0.682 175.931 176.600 0.021 0.000 1.032 53 K CA -1.444 54.862 56.287 0.032 0.000 0.882 53 K CB 1.038 33.551 32.500 0.021 0.000 1.420 53 K HN 0.062 nan 8.250 nan 0.000 0.455 54 K N 1.920 122.327 120.400 0.012 0.000 2.448 54 K HA 0.056 4.376 4.320 -0.000 0.000 0.278 54 K C -1.587 175.012 176.600 -0.002 0.000 1.009 54 K CA -1.350 54.941 56.287 0.007 0.000 0.995 54 K CB 0.467 32.969 32.500 0.004 0.000 0.917 54 K HN 0.371 nan 8.250 nan 0.000 0.481 55 P HA -0.234 nan 4.420 nan 0.000 0.217 55 P C -0.367 176.923 177.300 -0.017 0.000 1.151 55 P CA 1.919 65.010 63.100 -0.014 0.000 0.849 55 P CB 0.092 31.785 31.700 -0.011 0.000 0.787 56 N N -0.669 118.024 118.700 -0.012 0.000 2.591 56 N HA -0.049 4.691 4.740 -0.000 0.000 0.200 56 N C 0.890 176.393 175.510 -0.011 0.000 1.040 56 N CA -0.195 52.848 53.050 -0.012 0.000 0.911 56 N CB -1.281 37.200 38.487 -0.010 0.000 1.259 56 N HN 0.105 nan 8.380 nan 0.000 0.438 57 N N 0.630 119.325 118.700 -0.008 0.000 2.326 57 N HA 0.021 4.761 4.740 -0.000 0.000 0.239 57 N C -0.167 175.339 175.510 -0.008 0.000 1.301 57 N CA -0.165 52.880 53.050 -0.008 0.000 0.909 57 N CB 0.354 38.838 38.487 -0.005 0.000 1.156 57 N HN 0.386 nan 8.380 nan 0.000 0.462 58 N N 0.317 119.012 118.700 -0.008 0.000 2.351 58 N HA 0.054 4.794 4.740 -0.000 0.000 0.254 58 N C -0.899 174.607 175.510 -0.006 0.000 1.241 58 N CA -0.310 52.735 53.050 -0.008 0.000 0.883 58 N CB 0.370 38.850 38.487 -0.011 0.000 1.202 58 N HN 0.431 nan 8.380 nan 0.000 0.512 59 K N 2.166 122.563 120.400 -0.004 0.000 2.201 59 K HA 0.268 4.588 4.320 -0.000 0.000 0.278 59 K C 0.256 176.857 176.600 0.003 0.000 1.027 59 K CA -0.588 55.696 56.287 -0.005 0.000 0.909 59 K CB 1.227 33.724 32.500 -0.006 0.000 1.062 59 K HN 0.248 nan 8.250 nan 0.000 0.465 60 I N 4.305 124.876 120.570 0.002 0.000 2.293 60 I HA 0.031 4.201 4.170 -0.000 0.000 0.299 60 I C 1.107 177.230 176.117 0.011 0.000 1.153 60 I CA -0.472 60.835 61.300 0.013 0.000 1.302 60 I CB 0.236 38.242 38.000 0.009 0.000 1.460 60 I HN 0.554 nan 8.210 nan 0.000 0.552 61 L N 7.140 128.375 121.223 0.019 0.000 2.349 61 L HA 0.097 4.437 4.340 -0.000 0.000 0.220 61 L C 0.248 177.130 176.870 0.019 0.000 1.130 61 L CA 1.462 56.312 54.840 0.017 0.000 0.791 61 L CB -0.044 42.029 42.059 0.024 0.000 0.918 61 L HN 0.549 nan 8.230 nan 0.000 0.444 62 V N 0.356 120.288 119.914 0.030 0.000 2.823 62 V HA 0.418 4.538 4.120 -0.000 0.000 0.296 62 V C -2.608 173.514 176.094 0.045 0.000 1.250 62 V CA -0.881 61.442 62.300 0.039 0.000 0.939 62 V CB 2.203 34.064 31.823 0.064 0.000 1.062 62 V HN 0.028 nan 8.190 nan 0.000 0.433 63 P HA 0.387 nan 4.420 nan 0.000 0.287 63 P C -1.242 176.081 177.300 0.039 0.000 1.290 63 P CA -1.022 62.090 63.100 0.020 0.000 0.889 63 P CB 1.372 33.057 31.700 -0.025 0.000 1.190 64 K N 1.166 121.590 120.400 0.041 0.000 2.307 64 K HA 0.225 4.545 4.320 -0.000 0.000 0.285 64 K C -1.023 175.591 176.600 0.024 0.000 1.073 64 K CA 0.024 56.343 56.287 0.054 0.000 0.996 64 K CB -0.543 31.993 32.500 0.061 0.000 0.994 64 K HN 0.204 nan 8.250 nan 0.000 0.452 65 V N 4.158 124.089 119.914 0.028 0.000 2.327 65 V HA 0.133 4.253 4.120 -0.000 0.000 0.272 65 V C -0.301 175.820 176.094 0.046 0.000 1.019 65 V CA -0.599 61.699 62.300 -0.003 0.000 0.814 65 V CB 0.954 32.757 31.823 -0.034 0.000 1.040 65 V HN 0.774 nan 8.190 nan 0.000 0.440 66 S N 3.085 118.841 115.700 0.094 0.000 2.599 66 S HA 0.680 5.150 4.470 -0.000 0.000 0.294 66 S C 0.762 175.481 174.600 0.198 0.000 1.094 66 S CA 0.032 58.397 58.200 0.274 0.000 0.931 66 S CB 2.102 65.345 63.200 0.072 0.000 1.093 66 S HN 0.831 nan 8.310 nan 0.000 0.488 67 G N 1.174 110.195 108.800 0.369 0.000 3.392 67 G HA2 0.405 4.365 3.960 -0.000 0.000 0.247 67 G HA3 0.405 4.365 3.960 -0.000 0.000 0.247 67 G C 0.079 175.019 174.900 0.068 0.000 1.161 67 G CA -0.100 45.117 45.100 0.196 0.000 1.739 67 G HN 0.693 nan 8.290 nan 0.000 0.619 68 L N -1.030 120.209 121.223 0.026 0.000 3.521 68 L HA 0.245 4.585 4.340 -0.000 0.000 0.323 68 L C 0.347 177.185 176.870 -0.054 0.000 1.268 68 L CA -0.147 54.666 54.840 -0.044 0.000 1.064 68 L CB 0.470 42.482 42.059 -0.078 0.000 1.455 68 L HN 0.145 nan 8.230 nan 0.000 0.622 69 Q N 0.023 119.818 119.800 -0.008 0.000 2.290 69 Q HA 0.381 4.721 4.340 -0.000 0.000 0.259 69 Q C -1.185 174.832 176.000 0.028 0.000 0.941 69 Q CA -0.923 54.898 55.803 0.029 0.000 0.912 69 Q CB 1.206 29.968 28.738 0.040 0.000 1.244 69 Q HN 0.036 nan 8.270 nan 0.000 0.441 70 Y N 1.732 122.029 120.300 -0.005 0.000 2.745 70 Y HA -0.080 4.470 4.550 -0.000 0.000 0.335 70 Y C 0.748 176.618 175.900 -0.050 0.000 1.212 70 Y CA 0.220 58.316 58.100 -0.008 0.000 1.535 70 Y CB 0.263 38.707 38.460 -0.027 0.000 1.220 70 Y HN 0.269 nan 8.280 nan 0.000 0.531 71 R N 3.705 124.240 120.500 0.057 0.000 2.612 71 R HA 0.142 4.482 4.340 -0.000 0.000 0.273 71 R C -1.044 175.036 176.300 -0.366 0.000 1.376 71 R CA -0.328 55.656 56.100 -0.194 0.000 1.171 71 R CB -0.246 29.916 30.300 -0.230 0.000 1.151 71 R HN 0.389 nan 8.270 nan 0.000 0.560 72 V N 5.822 125.602 119.914 -0.222 0.000 2.364 72 V HA 0.111 4.231 4.120 -0.000 0.000 0.252 72 V C 0.490 176.452 176.094 -0.219 0.000 1.075 72 V CA -0.015 62.193 62.300 -0.152 0.000 1.033 72 V CB -0.726 31.049 31.823 -0.079 0.000 1.116 72 V HN 0.300 nan 8.190 nan 0.000 0.488 73 F N 3.860 123.824 119.950 0.024 0.000 2.371 73 F HA 0.598 5.125 4.527 -0.000 0.000 0.329 73 F C 0.732 176.590 175.800 0.097 0.000 1.107 73 F CA -0.466 57.553 58.000 0.031 0.000 1.137 73 F CB 0.907 39.845 39.000 -0.104 0.000 1.214 73 F HN 0.330 nan 8.300 nan 0.000 0.536 74 R N 3.049 123.745 120.500 0.327 0.000 2.483 74 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 74 R C -1.922 174.301 176.300 -0.128 0.000 0.987 74 R CA -0.754 55.477 56.100 0.219 0.000 0.881 74 R CB 0.775 31.288 30.300 0.354 0.000 1.177 74 R HN 0.597 nan 8.270 nan 0.000 0.451 75 I N 5.017 125.438 120.570 -0.247 0.000 2.312 75 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 75 I C 0.046 175.891 176.117 -0.453 0.000 1.031 75 I CA -0.322 60.757 61.300 -0.369 0.000 1.293 75 I CB 0.801 38.532 38.000 -0.448 0.000 1.403 75 I HN 0.377 nan 8.210 nan 0.000 0.484 76 H N 7.550 126.538 119.070 -0.137 0.000 2.640 76 H HA 0.490 5.046 4.556 -0.000 0.000 0.297 76 H C -0.516 174.686 175.328 -0.210 0.000 1.073 76 H CA -0.393 55.573 56.048 -0.135 0.000 1.305 76 H CB 0.913 30.635 29.762 -0.067 0.000 1.404 76 H HN 0.402 nan 8.280 nan 0.000 0.459 77 L N 5.949 127.077 121.223 -0.158 0.000 2.329 77 L HA 0.354 4.694 4.340 -0.000 0.000 0.279 77 L C -2.061 174.580 176.870 -0.382 0.000 1.014 77 L CA -2.240 52.363 54.840 -0.395 0.000 0.814 77 L CB 1.928 43.689 42.059 -0.496 0.000 1.257 77 L HN 0.355 nan 8.230 nan 0.000 0.424 78 P HA -0.094 nan 4.420 nan 0.000 0.265 78 P C -0.895 176.333 177.300 -0.119 0.000 1.187 78 P CA -0.046 62.820 63.100 -0.391 0.000 0.766 78 P CB 0.669 32.025 31.700 -0.573 0.000 0.820 79 D N 3.863 124.275 120.400 0.021 0.000 2.371 79 D HA 0.054 4.694 4.640 -0.000 0.000 0.256 79 D C -1.086 175.333 176.300 0.199 0.000 1.193 79 D CA -2.004 52.078 54.000 0.138 0.000 0.881 79 D CB 0.566 41.446 40.800 0.133 0.000 1.143 79 D HN 0.195 nan 8.370 nan 0.000 0.473 80 P HA -0.099 nan 4.420 nan 0.000 0.218 80 P C 0.583 178.045 177.300 0.271 0.000 1.152 80 P CA 0.621 63.830 63.100 0.181 0.000 0.826 80 P CB 0.260 31.760 31.700 -0.333 0.000 0.790 81 N N 0.384 119.207 118.700 0.205 0.000 2.651 81 N HA -0.118 4.622 4.740 -0.000 0.000 0.193 81 N C 1.047 176.674 175.510 0.195 0.000 1.149 81 N CA 1.045 54.214 53.050 0.198 0.000 0.933 81 N CB -0.091 38.553 38.487 0.261 0.000 0.974 81 N HN 0.413 nan 8.380 nan 0.000 0.448 82 K N -1.339 119.176 120.400 0.191 0.000 2.588 82 K HA 0.093 4.412 4.320 -0.000 0.000 0.216 82 K C -0.180 176.468 176.600 0.081 0.000 1.382 82 K CA -0.453 55.912 56.287 0.129 0.000 1.008 82 K CB 0.567 33.123 32.500 0.093 0.000 1.138 82 K HN -0.078 nan 8.250 nan 0.000 0.619 83 F N 2.386 122.287 119.950 -0.082 0.000 2.629 83 F HA 0.128 4.655 4.527 -0.000 0.000 0.369 83 F C 1.127 176.770 175.800 -0.262 0.000 1.125 83 F CA -0.025 57.788 58.000 -0.312 0.000 1.330 83 F CB 0.641 39.224 39.000 -0.695 0.000 1.071 83 F HN 0.092 nan 8.300 nan 0.000 0.595 84 G N 7.125 115.063 108.800 -1.438 0.000 2.843 84 G HA2 0.052 4.012 3.960 -0.000 0.000 0.275 84 G HA3 0.052 4.012 3.960 -0.000 0.000 0.275 84 G C -0.407 173.948 174.900 -0.908 0.000 0.709 84 G CA -0.465 44.076 45.100 -0.932 0.000 2.089 84 G HN 0.524 nan 8.290 nan 0.000 0.571 85 F N 1.499 121.205 119.950 -0.407 0.000 2.443 85 F HA 0.195 4.722 4.527 -0.000 0.000 0.353 85 F C 0.200 176.018 175.800 0.030 0.000 1.101 85 F CA -1.825 56.159 58.000 -0.027 0.000 1.226 85 F CB 1.421 40.547 39.000 0.211 0.000 1.140 85 F HN 0.292 nan 8.300 nan 0.000 0.557 86 P HA -0.123 nan 4.420 nan 0.000 0.234 86 P C -0.810 176.599 177.300 0.181 0.000 1.162 86 P CA 1.032 64.268 63.100 0.227 0.000 0.759 86 P CB 0.018 31.868 31.700 0.251 0.000 0.813 87 D N -2.027 118.486 120.400 0.189 0.000 2.836 87 D HA 0.179 4.819 4.640 -0.000 0.000 0.215 87 D C 0.340 176.582 176.300 -0.096 0.000 1.255 87 D CA -0.496 53.554 54.000 0.084 0.000 0.822 87 D CB 0.844 41.739 40.800 0.157 0.000 1.656 87 D HN -0.301 nan 8.370 nan 0.000 0.511 88 T N 0.139 114.578 114.554 -0.192 0.000 2.990 88 T HA 0.059 4.409 4.350 -0.000 0.000 0.250 88 T C 1.847 176.138 174.700 -0.680 0.000 1.041 88 T CA 0.547 62.403 62.100 -0.407 0.000 1.010 88 T CB -0.074 68.698 68.868 -0.161 0.000 1.003 88 T HN 0.424 nan 8.240 nan 0.000 0.499 89 S N 3.176 118.642 115.700 -0.389 0.000 2.400 89 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 89 S C 1.953 176.431 174.600 -0.202 0.000 1.025 89 S CA 1.231 59.281 58.200 -0.249 0.000 0.993 89 S CB -1.244 61.898 63.200 -0.097 0.000 0.808 89 S HN 0.619 nan 8.310 nan 0.000 0.478 90 F N 2.079 122.025 119.950 -0.007 0.000 2.225 90 F HA 0.061 4.588 4.527 -0.000 0.000 0.302 90 F C 0.993 176.832 175.800 0.065 0.000 1.068 90 F CA -0.186 57.808 58.000 -0.011 0.000 1.327 90 F CB -1.436 37.518 39.000 -0.077 0.000 1.043 90 F HN 0.536 nan 8.300 nan 0.000 0.506 91 Y N 0.408 120.645 120.300 -0.105 0.000 2.634 91 Y HA 0.536 5.086 4.550 -0.000 0.000 0.340 91 Y C -0.981 174.828 175.900 -0.151 0.000 1.058 91 Y CA -1.906 56.185 58.100 -0.015 0.000 1.081 91 Y CB 1.147 39.703 38.460 0.160 0.000 1.295 91 Y HN -0.074 nan 8.280 nan 0.000 0.487 92 N N 4.010 122.291 118.700 -0.698 0.000 2.546 92 N HA 0.365 5.105 4.740 -0.000 0.000 0.238 92 N C -2.243 172.641 175.510 -1.043 0.000 0.984 92 N CA -2.549 50.079 53.050 -0.703 0.000 0.935 92 N CB 1.382 39.669 38.487 -0.333 0.000 1.122 92 N HN 0.384 nan 8.380 nan 0.000 0.510 93 P HA -0.138 nan 4.420 nan 0.000 0.235 93 P C -0.447 176.673 177.300 -0.300 0.000 1.166 93 P CA 1.114 63.881 63.100 -0.555 0.000 0.760 93 P CB 0.381 31.985 31.700 -0.160 0.000 0.815 94 D N -1.377 118.837 120.400 -0.310 0.000 2.716 94 D HA -0.024 4.616 4.640 -0.000 0.000 0.273 94 D C 1.907 178.113 176.300 -0.156 0.000 1.024 94 D CA 1.504 55.396 54.000 -0.180 0.000 0.944 94 D CB -0.300 40.416 40.800 -0.140 0.000 1.186 94 D HN 0.236 nan 8.370 nan 0.000 0.485 95 T N -0.463 113.982 114.554 -0.181 0.000 2.953 95 T HA 0.024 4.374 4.350 -0.000 0.000 0.247 95 T C 1.188 175.801 174.700 -0.144 0.000 1.029 95 T CA 0.071 62.090 62.100 -0.134 0.000 1.144 95 T CB -0.030 68.776 68.868 -0.103 0.000 0.870 95 T HN 0.120 nan 8.240 nan 0.000 0.446 96 Q N 0.809 120.499 119.800 -0.182 0.000 2.226 96 Q HA 0.631 4.971 4.340 -0.000 0.000 0.256 96 Q C -0.848 175.086 176.000 -0.109 0.000 0.962 96 Q CA -1.170 54.559 55.803 -0.125 0.000 0.887 96 Q CB 1.774 30.488 28.738 -0.039 0.000 1.282 96 Q HN 0.098 nan 8.270 nan 0.000 0.449 97 R N 1.567 121.996 120.500 -0.119 0.000 2.711 97 R HA 0.531 4.871 4.340 -0.000 0.000 0.284 97 R C -0.611 175.685 176.300 -0.006 0.000 0.968 97 R CA -0.907 55.105 56.100 -0.146 0.000 0.924 97 R CB 1.521 31.232 30.300 -0.982 0.000 1.162 97 R HN 0.643 nan 8.270 nan 0.000 0.465 98 L N 2.427 123.671 121.223 0.035 0.000 2.292 98 L HA 0.455 4.795 4.340 -0.000 0.000 0.284 98 L C 0.014 177.001 176.870 0.194 0.000 1.065 98 L CA -0.807 54.032 54.840 -0.000 0.000 0.806 98 L CB 1.263 43.196 42.059 -0.211 0.000 1.175 98 L HN 0.171 nan 8.230 nan 0.000 0.431 99 V N 0.978 120.985 119.914 0.155 0.000 2.919 99 V HA 0.431 4.551 4.120 -0.000 0.000 0.316 99 V C -0.583 175.509 176.094 -0.003 0.000 1.077 99 V CA -0.805 61.626 62.300 0.218 0.000 0.977 99 V CB 2.118 34.106 31.823 0.276 0.000 1.039 99 V HN 0.629 nan 8.190 nan 0.000 0.441 100 W N 0.546 121.900 121.300 0.088 0.000 2.415 100 W HA 0.736 5.396 4.660 -0.000 0.000 0.355 100 W C 0.049 176.620 176.519 0.087 0.000 1.161 100 W CA -0.257 57.143 57.345 0.091 0.000 1.315 100 W CB 1.534 31.026 29.460 0.054 0.000 1.261 100 W HN 0.711 nan 8.180 nan 0.000 0.636 101 A N 1.403 124.536 122.820 0.522 0.000 2.393 101 A HA 0.597 4.917 4.320 -0.000 0.000 0.306 101 A C -1.584 176.210 177.584 0.351 0.000 1.050 101 A CA -0.623 51.591 52.037 0.294 0.000 0.724 101 A CB 1.048 20.129 19.000 0.135 0.000 1.248 101 A HN 0.691 nan 8.150 nan 0.000 0.424 102 C N 2.723 122.089 119.300 0.109 0.000 2.319 102 C HA 0.651 5.111 4.460 -0.000 0.000 0.335 102 C C 1.296 176.136 174.990 -0.250 0.000 1.274 102 C CA 0.397 59.323 59.018 -0.152 0.000 1.806 102 C CB 0.103 27.759 27.740 -0.140 0.000 2.329 102 C HN 1.381 nan 8.230 nan 0.000 0.524 103 V N 3.389 123.103 119.914 -0.333 0.000 3.426 103 V HA 0.510 4.630 4.120 -0.000 0.000 0.271 103 V C 0.593 176.509 176.094 -0.297 0.000 1.530 103 V CA 0.742 62.870 62.300 -0.287 0.000 1.021 103 V CB -0.264 31.394 31.823 -0.275 0.000 0.824 103 V HN 0.947 nan 8.190 nan 0.000 0.432 104 G N 0.253 108.760 108.800 -0.488 0.000 2.557 104 G HA2 0.636 4.596 3.960 -0.000 0.000 0.310 104 G HA3 0.636 4.596 3.960 -0.000 0.000 0.310 104 G C -1.609 172.876 174.900 -0.692 0.000 1.328 104 G CA -0.515 44.322 45.100 -0.438 0.000 0.945 104 G HN 0.350 nan 8.290 nan 0.000 0.494 105 V N 2.127 121.590 119.914 -0.751 0.000 2.612 105 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 105 V C -0.729 174.787 176.094 -0.963 0.000 1.059 105 V CA -0.703 61.063 62.300 -0.890 0.000 0.886 105 V CB 1.975 33.455 31.823 -0.572 0.000 1.007 105 V HN 0.842 nan 8.190 nan 0.000 0.426 106 E N 4.399 124.032 120.200 -0.945 0.000 2.331 106 E HA 0.363 4.713 4.350 -0.000 0.000 0.243 106 E C -1.130 175.118 176.600 -0.587 0.000 0.925 106 E CA -0.491 55.353 56.400 -0.927 0.000 0.760 106 E CB 1.845 31.111 29.700 -0.723 0.000 1.254 106 E HN 0.476 nan 8.360 nan 0.000 0.419 107 V N 4.313 124.039 119.914 -0.313 0.000 2.416 107 V HA 0.094 4.214 4.120 -0.000 0.000 0.260 107 V C 0.959 177.032 176.094 -0.036 0.000 1.018 107 V CA 0.583 62.861 62.300 -0.037 0.000 1.120 107 V CB 0.100 32.133 31.823 0.350 0.000 1.081 107 V HN 0.633 nan 8.190 nan 0.000 0.474 108 G N 5.870 114.594 108.800 -0.127 0.000 2.467 108 G HA2 0.462 4.422 3.960 -0.000 0.000 0.257 108 G HA3 0.462 4.422 3.960 -0.000 0.000 0.257 108 G C -0.159 174.664 174.900 -0.128 0.000 1.227 108 G CA -0.632 44.409 45.100 -0.099 0.000 0.835 108 G HN 0.534 nan 8.290 nan 0.000 0.556 109 R N 0.856 121.284 120.500 -0.120 0.000 2.480 109 R HA 0.426 4.766 4.340 -0.000 0.000 0.306 109 R C 0.001 176.221 176.300 -0.135 0.000 0.958 109 R CA -0.656 55.307 56.100 -0.228 0.000 0.861 109 R CB 2.122 32.283 30.300 -0.233 0.000 1.171 109 R HN 0.603 nan 8.270 nan 0.000 0.445 110 G N 2.593 111.316 108.800 -0.128 0.000 4.829 110 G HA2 0.245 4.205 3.960 -0.000 0.000 0.320 110 G HA3 0.245 4.205 3.960 -0.000 0.000 0.320 110 G C -0.344 174.534 174.900 -0.036 0.000 1.445 110 G CA -0.130 44.937 45.100 -0.056 0.000 1.151 110 G HN 0.241 nan 8.290 nan 0.000 0.572 111 Q N 0.830 120.610 119.800 -0.034 0.000 2.386 111 Q HA 0.272 4.612 4.340 -0.000 0.000 0.274 111 Q C -2.843 173.158 176.000 0.002 0.000 1.011 111 Q CA -1.346 54.453 55.803 -0.006 0.000 0.867 111 Q CB 3.222 31.956 28.738 -0.006 0.000 1.409 111 Q HN 0.252 nan 8.270 nan 0.000 0.395 112 P HA -0.014 nan 4.420 nan 0.000 0.264 112 P C -0.314 176.999 177.300 0.021 0.000 1.179 112 P CA -0.154 62.955 63.100 0.016 0.000 0.763 112 P CB 0.634 32.344 31.700 0.018 0.000 0.806 113 L N 2.227 123.463 121.223 0.020 0.000 2.464 113 L HA 0.621 4.961 4.340 -0.000 0.000 0.264 113 L C 1.394 178.277 176.870 0.022 0.000 1.199 113 L CA 1.352 56.207 54.840 0.025 0.000 0.818 113 L CB -0.011 42.065 42.059 0.027 0.000 1.102 113 L HN 0.822 nan 8.230 nan 0.000 0.473 114 G N -0.073 108.740 108.800 0.021 0.000 2.340 114 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 114 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 114 G C -1.773 173.129 174.900 0.004 0.000 1.488 114 G CA -0.334 44.772 45.100 0.011 0.000 0.878 114 G HN 0.607 nan 8.290 nan 0.000 0.618 115 V N -0.801 119.108 119.914 -0.008 0.000 2.513 115 V HA 0.967 5.087 4.120 -0.000 0.000 0.299 115 V C 0.771 176.834 176.094 -0.051 0.000 1.035 115 V CA -0.128 62.161 62.300 -0.017 0.000 0.889 115 V CB 1.319 33.137 31.823 -0.008 0.000 0.988 115 V HN 1.635 nan 8.190 nan 0.000 0.440 116 G N 2.766 111.521 108.800 -0.075 0.000 2.410 116 G HA2 0.691 4.651 3.960 -0.000 0.000 0.330 116 G HA3 0.691 4.651 3.960 -0.000 0.000 0.330 116 G C -1.006 173.839 174.900 -0.090 0.000 1.142 116 G CA -0.764 44.266 45.100 -0.117 0.000 0.902 116 G HN 0.932 nan 8.290 nan 0.000 0.491 117 I N 0.300 120.825 120.570 -0.076 0.000 2.562 117 I HA 0.652 4.822 4.170 -0.000 0.000 0.301 117 I C -0.419 175.705 176.117 0.011 0.000 1.003 117 I CA -0.583 60.684 61.300 -0.057 0.000 1.127 117 I CB 2.116 40.112 38.000 -0.006 0.000 1.304 117 I HN 0.437 nan 8.210 nan 0.000 0.446 118 S N 3.372 119.060 115.700 -0.021 0.000 2.570 118 S HA 0.902 5.372 4.470 -0.000 0.000 0.286 118 S C -0.329 174.443 174.600 0.285 0.000 1.099 118 S CA -0.478 57.895 58.200 0.288 0.000 0.913 118 S CB 1.991 65.315 63.200 0.205 0.000 1.085 118 S HN 0.928 nan 8.310 nan 0.000 0.480 119 G N 0.657 109.717 108.800 0.433 0.000 2.870 119 G HA2 0.643 4.602 3.960 -0.000 0.000 0.299 119 G HA3 0.643 4.602 3.960 -0.000 0.000 0.299 119 G C -2.036 173.011 174.900 0.244 0.000 1.324 119 G CA -0.316 44.920 45.100 0.227 0.000 0.808 119 G HN 0.640 nan 8.290 nan 0.000 0.535 120 H N -0.561 118.555 119.070 0.076 0.000 3.087 120 H HA 0.400 4.956 4.556 -0.000 0.000 0.348 120 H C -2.375 172.954 175.328 0.002 0.000 1.092 120 H CA -1.433 54.641 56.048 0.044 0.000 1.285 120 H CB 2.727 32.516 29.762 0.045 0.000 1.875 120 H HN 0.139 nan 8.280 nan 0.000 0.512 121 P HA 0.030 nan 4.420 nan 0.000 0.221 121 P C 0.085 177.504 177.300 0.197 0.000 1.150 121 P CA 0.922 64.132 63.100 0.183 0.000 0.800 121 P CB 0.401 32.137 31.700 0.060 0.000 0.787 122 L N -0.651 120.780 121.223 0.347 0.000 2.581 122 L HA 0.328 4.668 4.340 -0.000 0.000 0.241 122 L C -0.305 176.287 176.870 -0.463 0.000 1.265 122 L CA -0.808 53.992 54.840 -0.065 0.000 0.954 122 L CB 0.554 42.609 42.059 -0.005 0.000 1.269 122 L HN -0.133 nan 8.230 nan 0.000 0.475 123 L N 1.722 122.769 121.223 -0.294 0.000 2.290 123 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 123 L C 0.729 177.463 176.870 -0.227 0.000 1.078 123 L CA 0.152 54.804 54.840 -0.314 0.000 0.815 123 L CB 0.725 42.724 42.059 -0.101 0.000 1.162 123 L HN 0.348 nan 8.230 nan 0.000 0.435 124 N N 5.569 124.113 118.700 -0.258 0.000 2.416 124 N HA -0.029 4.711 4.740 -0.000 0.000 0.291 124 N C -0.972 174.495 175.510 -0.070 0.000 1.257 124 N CA 0.462 53.406 53.050 -0.177 0.000 1.043 124 N CB -0.283 38.079 38.487 -0.208 0.000 1.441 124 N HN 0.567 nan 8.380 nan 0.000 0.490 125 K N 3.983 124.340 120.400 -0.072 0.000 2.471 125 K HA 0.145 4.465 4.320 -0.000 0.000 0.252 125 K C -0.112 176.414 176.600 -0.124 0.000 0.938 125 K CA -0.617 55.642 56.287 -0.048 0.000 0.796 125 K CB 1.514 33.832 32.500 -0.304 0.000 1.161 125 K HN 0.285 nan 8.250 nan 0.000 0.425 126 L N 3.242 124.425 121.223 -0.067 0.000 2.208 126 L HA 0.255 4.595 4.340 -0.000 0.000 0.196 126 L C -0.512 176.308 176.870 -0.084 0.000 1.130 126 L CA 1.601 56.406 54.840 -0.058 0.000 0.791 126 L CB 0.002 42.050 42.059 -0.019 0.000 0.969 126 L HN 0.861 nan 8.230 nan 0.000 0.468 127 D N -2.102 118.266 120.400 -0.054 0.000 2.609 127 D HA 0.195 4.835 4.640 -0.000 0.000 0.239 127 D C -1.360 174.969 176.300 0.049 0.000 1.229 127 D CA -0.655 53.325 54.000 -0.033 0.000 0.808 127 D CB 0.270 41.066 40.800 -0.006 0.000 1.448 127 D HN 0.117 nan 8.370 nan 0.000 0.433 128 D N -0.698 119.757 120.400 0.093 0.000 2.382 128 D HA 0.181 4.821 4.640 -0.000 0.000 0.245 128 D C 0.179 176.554 176.300 0.126 0.000 1.120 128 D CA 0.144 54.268 54.000 0.207 0.000 0.890 128 D CB 0.992 41.895 40.800 0.172 0.000 1.201 128 D HN 0.480 nan 8.370 nan 0.000 0.433 129 T N 0.193 114.821 114.554 0.124 0.000 3.016 129 T HA 0.043 4.393 4.350 -0.000 0.000 0.271 129 T C 1.372 176.090 174.700 0.030 0.000 0.968 129 T CA -0.431 61.727 62.100 0.096 0.000 0.891 129 T CB 0.402 69.380 68.868 0.184 0.000 1.149 129 T HN 0.509 nan 8.240 nan 0.000 0.524 130 E N 2.224 122.438 120.200 0.023 0.000 2.070 130 E HA -0.180 4.169 4.350 -0.000 0.000 0.197 130 E C 0.404 176.994 176.600 -0.017 0.000 1.004 130 E CA 1.177 57.571 56.400 -0.011 0.000 0.805 130 E CB 0.124 29.829 29.700 0.008 0.000 0.744 130 E HN 0.474 nan 8.360 nan 0.000 0.451 131 N N -1.318 117.383 118.700 0.001 0.000 2.554 131 N HA 0.310 5.050 4.740 -0.000 0.000 0.271 131 N C -1.868 173.639 175.510 -0.004 0.000 1.081 131 N CA 0.092 53.137 53.050 -0.008 0.000 0.994 131 N CB 1.642 40.127 38.487 -0.004 0.000 1.641 131 N HN 0.146 nan 8.380 nan 0.000 0.511 132 A N 1.380 124.187 122.820 -0.021 0.000 2.346 132 A HA 0.732 5.052 4.320 -0.000 0.000 0.313 132 A C 0.530 178.101 177.584 -0.022 0.000 1.140 132 A CA 0.003 52.024 52.037 -0.027 0.000 0.826 132 A CB 1.001 19.959 19.000 -0.070 0.000 1.332 132 A HN 0.900 nan 8.150 nan 0.000 0.457 133 S N -1.233 114.459 115.700 -0.014 0.000 2.549 133 S HA 0.620 5.090 4.470 -0.000 0.000 0.225 133 S C 0.365 174.966 174.600 0.001 0.000 1.039 133 S CA 0.600 58.797 58.200 -0.004 0.000 0.942 133 S CB 0.185 63.387 63.200 0.003 0.000 0.881 133 S HN 2.180 nan 8.310 nan 0.000 0.503 134 A N 0.356 123.175 122.820 -0.001 0.000 2.586 134 A HA 0.594 4.914 4.320 -0.000 0.000 0.291 134 A C -1.741 175.865 177.584 0.037 0.000 1.062 134 A CA -0.829 51.224 52.037 0.026 0.000 0.666 134 A CB 0.063 19.085 19.000 0.038 0.000 1.281 134 A HN 0.311 nan 8.150 nan 0.000 0.421 135 Y N 1.668 121.970 120.300 0.003 0.000 2.569 135 Y HA 0.354 4.904 4.550 -0.000 0.000 0.332 135 Y C 1.088 176.986 175.900 -0.003 0.000 1.120 135 Y CA 0.718 58.818 58.100 -0.000 0.000 1.416 135 Y CB 0.536 38.994 38.460 -0.004 0.000 1.210 135 Y HN 0.987 nan 8.280 nan 0.000 0.528 136 A N 5.298 128.293 122.820 0.292 0.000 2.540 136 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 136 A C 0.278 177.969 177.584 0.180 0.000 1.061 136 A CA -0.030 52.114 52.037 0.178 0.000 0.758 136 A CB -0.360 18.698 19.000 0.095 0.000 0.991 136 A HN 0.984 nan 8.150 nan 0.000 0.502 137 A N 3.768 126.641 122.820 0.088 0.000 2.520 137 A HA 0.335 4.654 4.320 -0.000 0.000 0.235 137 A C 0.723 178.328 177.584 0.035 0.000 1.065 137 A CA -0.223 51.843 52.037 0.048 0.000 0.764 137 A CB -0.333 18.680 19.000 0.023 0.000 1.002 137 A HN 0.970 nan 8.150 nan 0.000 0.502 138 N N -0.097 118.610 118.700 0.011 0.000 2.206 138 N HA 0.213 4.953 4.740 -0.000 0.000 0.226 138 N C 0.194 175.702 175.510 -0.003 0.000 1.272 138 N CA 1.343 54.392 53.050 -0.001 0.000 0.863 138 N CB 0.145 38.621 38.487 -0.019 0.000 1.092 138 N HN 0.825 nan 8.380 nan 0.000 0.440 139 A N 0.783 123.597 122.820 -0.010 0.000 2.621 139 A HA 0.523 4.843 4.320 -0.000 0.000 0.329 139 A C 1.329 178.901 177.584 -0.020 0.000 1.458 139 A CA -0.199 51.828 52.037 -0.017 0.000 1.052 139 A CB -0.784 18.204 19.000 -0.020 0.000 1.142 139 A HN 0.677 nan 8.150 nan 0.000 0.523 140 G N 1.114 109.902 108.800 -0.020 0.000 2.123 140 G HA2 0.090 4.050 3.960 -0.000 0.000 0.351 140 G HA3 0.090 4.050 3.960 -0.000 0.000 0.351 140 G C 0.318 175.204 174.900 -0.024 0.000 1.172 140 G CA 1.225 46.312 45.100 -0.021 0.000 1.049 140 G HN 0.988 nan 8.290 nan 0.000 0.584 141 V N 0.006 119.905 119.914 -0.025 0.000 2.876 141 V HA 0.483 4.603 4.120 -0.000 0.000 0.312 141 V C -0.441 175.633 176.094 -0.033 0.000 1.085 141 V CA 0.098 62.381 62.300 -0.029 0.000 0.945 141 V CB 1.752 33.560 31.823 -0.026 0.000 1.017 141 V HN 0.862 nan 8.190 nan 0.000 0.428 142 D N 2.678 123.055 120.400 -0.039 0.000 3.357 142 D HA -0.172 4.468 4.640 -0.000 0.000 0.238 142 D C 0.563 176.835 176.300 -0.048 0.000 1.126 142 D CA 0.814 54.786 54.000 -0.045 0.000 0.984 142 D CB -0.614 40.163 40.800 -0.039 0.000 0.925 142 D HN 0.795 nan 8.370 nan 0.000 0.414 143 N N 0.736 119.403 118.700 -0.055 0.000 2.392 143 N HA 0.053 4.793 4.740 -0.000 0.000 0.177 143 N C 0.023 175.488 175.510 -0.075 0.000 1.066 143 N CA -0.166 52.849 53.050 -0.059 0.000 0.895 143 N CB 0.252 38.705 38.487 -0.057 0.000 0.988 143 N HN 0.348 nan 8.380 nan 0.000 0.457 144 R N 1.927 122.376 120.500 -0.085 0.000 2.457 144 R HA -0.117 4.223 4.340 -0.000 0.000 0.274 144 R C -0.039 176.205 176.300 -0.094 0.000 0.935 144 R CA 0.838 56.875 56.100 -0.105 0.000 1.115 144 R CB -0.165 30.068 30.300 -0.111 0.000 0.860 144 R HN 0.384 nan 8.270 nan 0.000 0.426 145 E N 1.495 121.629 120.200 -0.109 0.000 2.431 145 E HA 0.263 4.613 4.350 -0.000 0.000 0.268 145 E C -0.956 175.605 176.600 -0.066 0.000 0.953 145 E CA -0.986 55.360 56.400 -0.090 0.000 0.810 145 E CB 1.576 31.205 29.700 -0.117 0.000 1.369 145 E HN 0.559 nan 8.360 nan 0.000 0.440 146 C N 1.942 121.218 119.300 -0.041 0.000 2.146 146 C HA 0.608 5.068 4.460 -0.000 0.000 0.338 146 C C -0.422 174.568 174.990 0.000 0.000 1.074 146 C CA -0.250 58.767 59.018 -0.001 0.000 1.527 146 C CB -2.324 25.421 27.740 0.008 0.000 1.915 146 C HN 0.458 nan 8.230 nan 0.000 0.453 147 I N 4.809 125.394 120.570 0.025 0.000 2.846 147 I HA 0.614 4.784 4.170 -0.000 0.000 0.307 147 I C 0.408 176.588 176.117 0.105 0.000 1.053 147 I CA 0.060 61.392 61.300 0.054 0.000 1.050 147 I CB 2.583 40.613 38.000 0.049 0.000 1.239 147 I HN 0.676 nan 8.210 nan 0.000 0.439 148 S N 4.574 120.333 115.700 0.098 0.000 2.745 148 S HA 0.904 5.374 4.470 -0.000 0.000 0.306 148 S C -0.508 174.128 174.600 0.059 0.000 1.137 148 S CA -0.766 57.488 58.200 0.090 0.000 0.900 148 S CB 2.271 65.510 63.200 0.064 0.000 1.176 148 S HN 0.708 nan 8.310 nan 0.000 0.520 149 M N -0.765 118.818 119.600 -0.028 0.000 3.855 149 M HA 0.546 5.026 4.480 -0.000 0.000 0.367 149 M C -2.446 173.725 176.300 -0.214 0.000 1.680 149 M CA -0.772 54.466 55.300 -0.103 0.000 0.869 149 M CB 0.938 33.475 32.600 -0.104 0.000 2.350 149 M HN 0.693 nan 8.290 nan 0.000 0.481 150 D N 0.797 121.050 120.400 -0.245 0.000 2.402 150 D HA 0.384 5.024 4.640 -0.000 0.000 0.252 150 D C -1.299 174.878 176.300 -0.205 0.000 1.294 150 D CA -0.192 53.676 54.000 -0.220 0.000 0.948 150 D CB 0.104 40.840 40.800 -0.107 0.000 1.202 150 D HN 0.595 nan 8.370 nan 0.000 0.561 151 Y N 1.538 121.816 120.300 -0.038 0.000 2.914 151 Y HA -0.183 4.367 4.550 -0.000 0.000 0.348 151 Y C 1.752 177.619 175.900 -0.055 0.000 1.278 151 Y CA -0.043 58.025 58.100 -0.053 0.000 1.491 151 Y CB 0.703 39.158 38.460 -0.008 0.000 1.334 151 Y HN 0.345 nan 8.280 nan 0.000 0.650 152 K N 3.547 124.036 120.400 0.148 0.000 2.473 152 K HA -0.134 4.186 4.320 -0.000 0.000 0.277 152 K C -0.366 176.290 176.600 0.094 0.000 1.052 152 K CA -0.124 56.210 56.287 0.078 0.000 1.114 152 K CB 0.307 32.834 32.500 0.045 0.000 0.869 152 K HN 0.618 nan 8.250 nan 0.000 0.481 153 Q N 2.969 122.819 119.800 0.083 0.000 2.244 153 Q HA 0.005 4.345 4.340 -0.000 0.000 0.278 153 Q C -0.847 175.205 176.000 0.086 0.000 1.093 153 Q CA 0.610 56.464 55.803 0.084 0.000 0.916 153 Q CB 0.561 29.346 28.738 0.079 0.000 1.159 153 Q HN 0.705 nan 8.270 nan 0.000 0.384 154 T N 4.003 118.609 114.554 0.087 0.000 2.861 154 T HA 0.383 4.733 4.350 -0.000 0.000 0.287 154 T C -0.830 173.945 174.700 0.124 0.000 1.003 154 T CA -0.692 61.469 62.100 0.101 0.000 0.977 154 T CB 1.706 70.623 68.868 0.082 0.000 0.996 154 T HN 0.518 nan 8.240 nan 0.000 0.448 155 Q N 2.608 122.504 119.800 0.160 0.000 2.337 155 Q HA 0.615 4.955 4.340 -0.000 0.000 0.260 155 Q C -1.693 174.449 176.000 0.237 0.000 0.982 155 Q CA -0.811 55.146 55.803 0.257 0.000 0.734 155 Q CB 0.744 29.600 28.738 0.197 0.000 1.272 155 Q HN 0.681 nan 8.270 nan 0.000 0.461 156 L N 0.277 121.719 121.223 0.365 0.000 2.540 156 L HA 0.910 5.250 4.340 -0.000 0.000 0.256 156 L C -1.744 175.370 176.870 0.407 0.000 1.001 156 L CA -0.825 54.170 54.840 0.258 0.000 0.843 156 L CB 2.088 44.271 42.059 0.207 0.000 1.436 156 L HN 0.535 nan 8.230 nan 0.000 0.410 157 C N 2.555 121.989 119.300 0.224 0.000 2.551 157 C HA 0.818 5.278 4.460 -0.000 0.000 0.332 157 C C -1.012 174.034 174.990 0.092 0.000 1.139 157 C CA -0.495 58.672 59.018 0.247 0.000 1.328 157 C CB 0.558 28.452 27.740 0.256 0.000 1.903 157 C HN 0.868 nan 8.230 nan 0.000 0.459 158 L N 6.617 127.941 121.223 0.168 0.000 2.346 158 L HA 0.715 5.055 4.340 -0.000 0.000 0.276 158 L C -0.496 176.478 176.870 0.173 0.000 1.006 158 L CA -0.609 54.304 54.840 0.122 0.000 0.817 158 L CB 1.557 43.660 42.059 0.075 0.000 1.272 158 L HN 0.504 nan 8.230 nan 0.000 0.421 159 I N 1.819 122.500 120.570 0.186 0.000 2.466 159 I HA 0.797 4.967 4.170 -0.000 0.000 0.289 159 I C 0.170 176.073 176.117 -0.358 0.000 1.026 159 I CA -0.309 61.119 61.300 0.214 0.000 1.078 159 I CB 2.097 40.454 38.000 0.596 0.000 1.249 159 I HN 0.749 nan 8.210 nan 0.000 0.429 160 G N 2.959 111.495 108.800 -0.440 0.000 2.623 160 G HA2 0.417 4.377 3.960 -0.000 0.000 0.290 160 G HA3 0.417 4.377 3.960 -0.000 0.000 0.290 160 G C -0.028 174.697 174.900 -0.291 0.000 1.437 160 G CA -0.482 44.213 45.100 -0.675 0.000 0.798 160 G HN 0.716 nan 8.290 nan 0.000 0.488 161 C N -1.183 117.990 119.300 -0.212 0.000 2.700 161 C HA 0.465 4.925 4.460 -0.000 0.000 0.297 161 C C 0.762 175.662 174.990 -0.150 0.000 1.293 161 C CA -0.409 58.561 59.018 -0.081 0.000 1.756 161 C CB -0.543 27.247 27.740 0.083 0.000 2.210 161 C HN 0.424 nan 8.230 nan 0.000 0.553 162 K N 2.023 122.403 120.400 -0.033 0.000 2.132 162 K HA 0.506 4.826 4.320 -0.000 0.000 0.241 162 K C -2.814 174.017 176.600 0.385 0.000 1.000 162 K CA -1.891 54.445 56.287 0.082 0.000 0.911 162 K CB 0.159 32.677 32.500 0.029 0.000 1.093 162 K HN 0.077 nan 8.250 nan 0.000 0.460 163 P HA 0.192 nan 4.420 nan 0.000 0.278 163 P C -2.477 174.693 177.300 -0.216 0.000 1.238 163 P CA -1.411 61.546 63.100 -0.239 0.000 0.794 163 P CB -0.199 31.162 31.700 -0.566 0.000 0.955 164 P HA 0.188 nan 4.420 nan 0.000 0.269 164 P C -0.244 176.916 177.300 -0.233 0.000 1.209 164 P CA 0.435 63.401 63.100 -0.223 0.000 0.776 164 P CB 0.642 32.205 31.700 -0.228 0.000 0.876 165 I N 1.809 122.253 120.570 -0.209 0.000 2.382 165 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 165 I C 1.067 177.044 176.117 -0.232 0.000 1.007 165 I CA -0.409 60.773 61.300 -0.197 0.000 1.142 165 I CB 1.510 39.420 38.000 -0.150 0.000 1.289 165 I HN 0.374 nan 8.210 nan 0.000 0.453 166 G N 5.286 113.947 108.800 -0.232 0.000 2.528 166 G HA2 0.566 4.526 3.960 -0.000 0.000 0.289 166 G HA3 0.566 4.526 3.960 -0.000 0.000 0.289 166 G C -0.721 174.096 174.900 -0.137 0.000 1.192 166 G CA -0.266 44.696 45.100 -0.230 0.000 0.921 166 G HN 0.705 nan 8.290 nan 0.000 0.512 167 E N -1.081 119.064 120.200 -0.092 0.000 2.416 167 E HA 0.658 5.008 4.350 -0.000 0.000 0.273 167 E C -1.261 175.359 176.600 0.034 0.000 0.935 167 E CA -1.053 55.302 56.400 -0.076 0.000 0.784 167 E CB 2.453 32.046 29.700 -0.178 0.000 1.301 167 E HN 0.790 nan 8.360 nan 0.000 0.454 168 H N -0.723 118.200 119.070 -0.245 0.000 2.984 168 H HA 0.194 4.750 4.556 -0.000 0.000 0.298 168 H C -1.964 173.216 175.328 -0.247 0.000 1.378 168 H CA -1.200 54.734 56.048 -0.190 0.000 1.241 168 H CB -0.303 29.407 29.762 -0.086 0.000 1.894 168 H HN 0.672 nan 8.280 nan 0.000 0.511 169 W N 1.021 122.189 121.300 -0.220 0.000 2.237 169 W HA 0.597 5.257 4.660 -0.000 0.000 0.335 169 W C 0.779 177.169 176.519 -0.214 0.000 1.230 169 W CA 0.804 58.014 57.345 -0.225 0.000 1.253 169 W CB 1.561 30.976 29.460 -0.076 0.000 1.129 169 W HN 0.949 nan 8.180 nan 0.000 0.590 170 G N 0.720 109.588 108.800 0.112 0.000 2.706 170 G HA2 0.440 4.400 3.960 -0.000 0.000 0.307 170 G HA3 0.440 4.400 3.960 -0.000 0.000 0.307 170 G C -1.944 173.010 174.900 0.089 0.000 1.307 170 G CA -1.046 44.102 45.100 0.080 0.000 0.790 170 G HN 0.287 nan 8.290 nan 0.000 0.503 171 K N 0.085 120.524 120.400 0.065 0.000 2.425 171 K HA 0.562 4.882 4.320 -0.000 0.000 0.259 171 K C -0.343 176.282 176.600 0.043 0.000 0.978 171 K CA -0.625 55.695 56.287 0.054 0.000 0.883 171 K CB 1.110 33.637 32.500 0.045 0.000 1.110 171 K HN 0.644 nan 8.250 nan 0.000 0.436 172 G N 2.700 111.526 108.800 0.042 0.000 3.288 172 G HA2 0.096 4.056 3.960 -0.000 0.000 0.337 172 G HA3 0.096 4.056 3.960 -0.000 0.000 0.337 172 G C -0.393 174.524 174.900 0.027 0.000 1.142 172 G CA -0.378 44.741 45.100 0.033 0.000 1.304 172 G HN 0.659 nan 8.290 nan 0.000 0.475 173 S N 1.844 117.558 115.700 0.023 0.000 4.620 173 S HA -0.128 4.342 4.470 -0.000 0.000 0.552 173 S C -0.900 173.711 174.600 0.018 0.000 0.994 173 S CA -0.146 58.065 58.200 0.018 0.000 0.991 173 S CB 0.200 63.408 63.200 0.014 0.000 1.522 173 S HN 0.559 nan 8.310 nan 0.000 0.402 174 P HA -0.045 nan 4.420 nan 0.000 0.279 174 P C -0.277 177.032 177.300 0.014 0.000 1.452 174 P CA -0.063 63.046 63.100 0.015 0.000 1.090 174 P CB 0.413 32.120 31.700 0.012 0.000 1.134 175 C N -0.184 119.124 119.300 0.013 0.000 2.319 175 C HA 0.247 4.707 4.460 -0.000 0.000 0.323 175 C C -0.080 174.916 174.990 0.009 0.000 1.277 175 C CA -0.178 58.847 59.018 0.012 0.000 1.517 175 C CB -0.009 27.738 27.740 0.012 0.000 2.206 175 C HN 0.451 nan 8.230 nan 0.000 0.486 176 T N 4.834 119.393 114.554 0.008 0.000 2.833 176 T HA 0.219 4.569 4.350 -0.000 0.000 0.254 176 T C -0.341 174.363 174.700 0.006 0.000 0.972 176 T CA 0.645 62.749 62.100 0.007 0.000 1.246 176 T CB -0.531 68.341 68.868 0.006 0.000 0.949 176 T HN 0.808 nan 8.240 nan 0.000 0.567 177 Q N 0.474 120.278 119.800 0.006 0.000 2.805 177 Q HA 0.303 4.643 4.340 -0.000 0.000 0.257 177 Q C -0.864 175.139 176.000 0.005 0.000 0.977 177 Q CA -0.985 54.822 55.803 0.005 0.000 0.901 177 Q CB 1.671 30.412 28.738 0.006 0.000 1.778 177 Q HN 0.301 nan 8.270 nan 0.000 0.441 178 V N 0.536 120.453 119.914 0.004 0.000 5.889 178 V HA -0.289 3.831 4.120 -0.000 0.000 0.209 178 V C 0.605 176.701 176.094 0.003 0.000 0.681 178 V CA 1.255 63.557 62.300 0.003 0.000 0.547 178 V CB -1.601 30.224 31.823 0.003 0.000 0.309 178 V HN 0.900 nan 8.190 nan 0.000 0.471 179 A N 3.342 126.164 122.820 0.003 0.000 3.029 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.256 179 A C 0.830 178.415 177.584 0.003 0.000 1.913 179 A CA 0.574 52.613 52.037 0.003 0.000 1.493 179 A CB -0.889 18.113 19.000 0.003 0.000 0.918 179 A HN 2.049 nan 8.150 nan 0.000 0.616 180 V N -1.390 118.526 119.914 0.003 0.000 3.802 180 V HA -0.213 3.907 4.120 -0.000 0.000 0.540 180 V C 0.403 176.497 176.094 0.000 0.000 0.683 180 V CA 1.065 63.366 62.300 0.002 0.000 2.102 180 V CB -0.632 31.192 31.823 0.002 0.000 2.496 180 V HN 0.928 nan 8.190 nan 0.000 0.520 181 Q N 5.583 125.383 119.800 -0.000 0.000 2.322 181 Q HA 0.332 4.672 4.340 -0.000 0.000 0.256 181 Q C -2.412 173.587 176.000 -0.002 0.000 0.960 181 Q CA -2.204 53.598 55.803 -0.001 0.000 0.934 181 Q CB 1.312 30.049 28.738 -0.001 0.000 1.200 181 Q HN 0.664 nan 8.270 nan 0.000 0.435 182 P HA -0.164 nan 4.420 nan 0.000 0.247 182 P C 0.183 177.480 177.300 -0.005 0.000 1.115 182 P CA 1.912 65.010 63.100 -0.003 0.000 0.799 182 P CB -0.040 31.657 31.700 -0.004 0.000 0.721 183 G N 3.326 112.123 108.800 -0.005 0.000 3.031 183 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.198 183 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.198 183 G C -0.164 174.733 174.900 -0.006 0.000 1.242 183 G CA -0.401 44.695 45.100 -0.007 0.000 0.878 183 G HN 0.480 nan 8.290 nan 0.000 0.493 184 D N 1.765 122.163 120.400 -0.004 0.000 3.167 184 D HA 0.238 4.878 4.640 -0.000 0.000 0.232 184 D C 1.212 177.510 176.300 -0.003 0.000 1.231 184 D CA 0.836 54.834 54.000 -0.003 0.000 0.845 184 D CB -0.019 40.780 40.800 -0.001 0.000 1.157 184 D HN 0.636 nan 8.370 nan 0.000 0.576 185 C N 5.089 124.385 119.300 -0.006 0.000 2.468 185 C HA -0.041 4.419 4.460 -0.000 0.000 0.389 185 C C -1.589 173.399 174.990 -0.004 0.000 1.384 185 C CA -1.330 57.684 59.018 -0.008 0.000 1.617 185 C CB -0.385 27.347 27.740 -0.013 0.000 2.572 185 C HN 0.551 nan 8.230 nan 0.000 0.592 186 P HA 0.167 nan 4.420 nan 0.000 0.264 186 P C -2.515 174.789 177.300 0.006 0.000 1.179 186 P CA -0.309 62.795 63.100 0.007 0.000 0.763 186 P CB -0.270 31.438 31.700 0.014 0.000 0.806 187 P HA 0.174 nan 4.420 nan 0.000 0.287 187 P C -0.497 176.829 177.300 0.042 0.000 1.294 187 P CA -0.165 62.949 63.100 0.023 0.000 0.776 187 P CB 0.404 32.121 31.700 0.028 0.000 0.889 188 L N 3.202 124.451 121.223 0.043 0.000 2.439 188 L HA 0.432 4.772 4.340 -0.000 0.000 0.261 188 L C 0.692 177.686 176.870 0.207 0.000 1.153 188 L CA 0.288 55.196 54.840 0.113 0.000 0.808 188 L CB 0.058 42.102 42.059 -0.025 0.000 1.126 188 L HN 0.480 nan 8.230 nan 0.000 0.460 189 E N 1.506 121.885 120.200 0.299 0.000 2.307 189 E HA 0.191 4.541 4.350 -0.000 0.000 0.280 189 E C -1.471 175.150 176.600 0.036 0.000 0.900 189 E CA -0.835 55.684 56.400 0.199 0.000 0.790 189 E CB 2.077 31.820 29.700 0.072 0.000 1.261 189 E HN 0.331 nan 8.360 nan 0.000 0.405 190 L N 5.693 126.810 121.223 -0.176 0.000 2.499 190 L HA 0.282 4.621 4.340 -0.000 0.000 0.273 190 L C -0.947 175.683 176.870 -0.399 0.000 1.195 190 L CA 0.861 55.327 54.840 -0.624 0.000 0.882 190 L CB 0.147 41.773 42.059 -0.722 0.000 1.133 190 L HN 0.475 nan 8.230 nan 0.000 0.483 191 I N 5.591 125.861 120.570 -0.499 0.000 2.499 191 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 191 I C -0.163 175.855 176.117 -0.165 0.000 1.048 191 I CA -0.648 60.463 61.300 -0.315 0.000 1.062 191 I CB 1.503 39.292 38.000 -0.352 0.000 1.238 191 I HN 0.590 nan 8.210 nan 0.000 0.426 192 N N 3.155 121.807 118.700 -0.080 0.000 2.476 192 N HA 0.621 5.361 4.740 -0.000 0.000 0.276 192 N C -0.474 175.037 175.510 0.002 0.000 1.204 192 N CA -0.218 52.799 53.050 -0.054 0.000 0.974 192 N CB 2.306 40.747 38.487 -0.076 0.000 1.204 192 N HN 0.636 nan 8.380 nan 0.000 0.543 193 T N -1.818 112.720 114.554 -0.026 0.000 3.094 193 T HA 0.095 4.445 4.350 -0.000 0.000 0.373 193 T C -1.643 173.004 174.700 -0.088 0.000 1.806 193 T CA -0.696 61.396 62.100 -0.014 0.000 1.107 193 T CB 0.150 69.020 68.868 0.005 0.000 1.632 193 T HN 0.048 nan 8.240 nan 0.000 0.488 194 V N 5.219 125.086 119.914 -0.079 0.000 2.470 194 V HA 0.328 4.448 4.120 -0.000 0.000 0.276 194 V C 1.010 176.997 176.094 -0.178 0.000 1.040 194 V CA -0.492 61.688 62.300 -0.200 0.000 1.008 194 V CB 0.569 32.111 31.823 -0.468 0.000 0.990 194 V HN 0.714 nan 8.190 nan 0.000 0.477 195 I N 6.195 126.616 120.570 -0.248 0.000 2.460 195 I HA 0.096 4.266 4.170 -0.000 0.000 0.297 195 I C 0.773 176.784 176.117 -0.176 0.000 1.139 195 I CA 0.256 61.360 61.300 -0.327 0.000 1.340 195 I CB -0.256 37.427 38.000 -0.529 0.000 1.444 195 I HN 0.724 nan 8.210 nan 0.000 0.557 196 Q N 3.927 123.658 119.800 -0.115 0.000 2.317 196 Q HA 0.131 4.471 4.340 -0.000 0.000 0.229 196 Q C 0.227 176.208 176.000 -0.032 0.000 0.984 196 Q CA -0.747 55.028 55.803 -0.047 0.000 0.911 196 Q CB 1.178 29.805 28.738 -0.184 0.000 1.217 196 Q HN 0.449 nan 8.270 nan 0.000 0.501 197 D N -0.289 120.127 120.400 0.026 0.000 2.520 197 D HA -0.034 4.606 4.640 -0.000 0.000 0.243 197 D C 0.567 176.842 176.300 -0.041 0.000 1.160 197 D CA 1.721 55.716 54.000 -0.009 0.000 0.877 197 D CB 0.315 41.110 40.800 -0.008 0.000 1.150 197 D HN 0.780 nan 8.370 nan 0.000 0.494 198 G N 3.925 112.727 108.800 0.004 0.000 2.218 198 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.216 198 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.216 198 G C 0.220 175.138 174.900 0.030 0.000 0.994 198 G CA 0.131 45.230 45.100 -0.001 0.000 0.637 198 G HN 0.628 nan 8.290 nan 0.000 0.505 199 D N 1.106 121.524 120.400 0.031 0.000 2.319 199 D HA 0.283 4.923 4.640 -0.000 0.000 0.235 199 D C 1.052 177.454 176.300 0.170 0.000 1.304 199 D CA 0.336 54.367 54.000 0.051 0.000 0.894 199 D CB 0.224 40.997 40.800 -0.044 0.000 1.183 199 D HN 0.070 nan 8.370 nan 0.000 0.472 200 M N 1.425 121.096 119.600 0.119 0.000 2.069 200 M HA 0.139 4.619 4.480 -0.000 0.000 0.349 200 M C 0.036 176.449 176.300 0.189 0.000 1.194 200 M CA -0.828 54.541 55.300 0.114 0.000 1.081 200 M CB 0.410 33.038 32.600 0.047 0.000 1.500 200 M HN 0.178 nan 8.290 nan 0.000 0.438 201 V N 0.221 120.199 119.914 0.105 0.000 3.684 201 V HA -0.077 4.043 4.120 -0.000 0.000 0.290 201 V C 0.532 176.649 176.094 0.038 0.000 1.226 201 V CA -0.172 62.099 62.300 -0.048 0.000 1.343 201 V CB 0.053 31.729 31.823 -0.245 0.000 1.087 201 V HN 0.756 nan 8.190 nan 0.000 0.508 202 D N 0.627 121.071 120.400 0.074 0.000 2.341 202 D HA 0.379 5.018 4.640 -0.000 0.000 0.245 202 D C 0.954 177.243 176.300 -0.018 0.000 1.106 202 D CA 0.484 54.523 54.000 0.066 0.000 0.905 202 D CB 1.532 42.373 40.800 0.068 0.000 1.202 202 D HN 1.037 nan 8.370 nan 0.000 0.426 203 T N -0.488 114.043 114.554 -0.039 0.000 3.058 203 T HA 0.401 4.751 4.350 -0.000 0.000 0.278 203 T C 1.064 175.827 174.700 0.106 0.000 0.974 203 T CA 0.410 62.429 62.100 -0.136 0.000 0.893 203 T CB 0.402 68.781 68.868 -0.815 0.000 1.138 203 T HN 0.555 nan 8.240 nan 0.000 0.529 204 G N 0.724 109.535 108.800 0.018 0.000 2.273 204 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.162 204 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.162 204 G C 0.193 175.015 174.900 -0.129 0.000 1.006 204 G CA -0.366 44.681 45.100 -0.087 0.000 0.704 204 G HN 0.444 nan 8.290 nan 0.000 0.487 205 F N 2.128 122.211 119.950 0.221 0.000 2.664 205 F HA 0.430 4.957 4.527 -0.000 0.000 0.301 205 F C 1.754 177.716 175.800 0.269 0.000 1.126 205 F CA 0.854 59.006 58.000 0.254 0.000 1.373 205 F CB 0.509 39.674 39.000 0.276 0.000 1.042 205 F HN 0.633 nan 8.300 nan 0.000 0.535 206 G N 0.918 109.907 108.800 0.314 0.000 2.796 206 G HA2 0.064 4.024 3.960 -0.000 0.000 0.571 206 G HA3 0.064 4.024 3.960 -0.000 0.000 0.571 206 G C -0.941 174.087 174.900 0.214 0.000 1.370 206 G CA -0.678 44.564 45.100 0.236 0.000 0.856 206 G HN 0.584 nan 8.290 nan 0.000 0.538 207 A N 0.050 122.999 122.820 0.215 0.000 2.331 207 A HA 1.075 5.395 4.320 -0.000 0.000 0.320 207 A C 0.213 177.932 177.584 0.223 0.000 1.138 207 A CA 0.703 52.841 52.037 0.168 0.000 0.790 207 A CB 0.843 19.947 19.000 0.174 0.000 1.206 207 A HN 2.394 nan 8.150 nan 0.000 0.470 208 M N 0.220 119.847 119.600 0.045 0.000 3.231 208 M HA 0.404 4.884 4.480 -0.000 0.000 0.282 208 M C -2.186 174.039 176.300 -0.125 0.000 1.126 208 M CA -0.801 54.561 55.300 0.103 0.000 0.820 208 M CB 1.212 33.878 32.600 0.109 0.000 1.624 208 M HN 0.433 nan 8.290 nan 0.000 0.535 209 D N 0.692 121.113 120.400 0.036 0.000 2.454 209 D HA 0.484 5.124 4.640 -0.000 0.000 0.225 209 D C -0.068 176.238 176.300 0.009 0.000 1.081 209 D CA -0.372 53.610 54.000 -0.029 0.000 0.864 209 D CB 0.262 41.135 40.800 0.121 0.000 1.040 209 D HN 0.569 nan 8.370 nan 0.000 0.517 210 F N 1.210 121.212 119.950 0.088 0.000 2.202 210 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 210 F C 2.377 178.199 175.800 0.037 0.000 1.082 210 F CA 0.723 58.754 58.000 0.051 0.000 1.313 210 F CB -0.051 38.976 39.000 0.045 0.000 1.024 210 F HN 0.315 nan 8.300 nan 0.000 0.495 211 T N -1.073 113.590 114.554 0.182 0.000 2.833 211 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 211 T C 2.070 176.824 174.700 0.090 0.000 1.054 211 T CA 1.961 64.131 62.100 0.117 0.000 1.135 211 T CB -0.416 68.503 68.868 0.085 0.000 0.869 211 T HN 0.465 nan 8.240 nan 0.000 0.466 212 T N -0.943 113.667 114.554 0.093 0.000 3.023 212 T HA 0.211 4.561 4.350 -0.000 0.000 0.249 212 T C 1.726 176.470 174.700 0.073 0.000 1.050 212 T CA -0.164 61.980 62.100 0.074 0.000 1.088 212 T CB -0.089 68.820 68.868 0.069 0.000 0.946 212 T HN 0.081 nan 8.240 nan 0.000 0.480 213 L N 0.854 122.136 121.223 0.099 0.000 2.341 213 L HA 0.363 4.703 4.340 -0.000 0.000 0.214 213 L C 0.870 177.775 176.870 0.058 0.000 1.115 213 L CA 1.131 56.020 54.840 0.082 0.000 0.820 213 L CB -0.910 41.215 42.059 0.109 0.000 0.944 213 L HN 0.500 nan 8.230 nan 0.000 0.452 214 Q N -0.855 118.989 119.800 0.074 0.000 2.456 214 Q HA 0.382 4.722 4.340 -0.000 0.000 0.252 214 Q C 0.860 176.872 176.000 0.019 0.000 1.042 214 Q CA -0.085 55.732 55.803 0.024 0.000 0.766 214 Q CB 1.668 30.410 28.738 0.008 0.000 1.196 214 Q HN 0.123 nan 8.270 nan 0.000 0.504 215 A N 2.840 125.662 122.820 0.002 0.000 1.969 215 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 215 A C 1.826 179.402 177.584 -0.013 0.000 1.169 215 A CA 1.282 53.319 52.037 0.000 0.000 0.635 215 A CB -0.319 18.678 19.000 -0.004 0.000 0.810 215 A HN 0.813 nan 8.150 nan 0.000 0.445 216 N N 0.495 119.173 118.700 -0.036 0.000 2.200 216 N HA -0.296 4.444 4.740 -0.000 0.000 0.199 216 N C 0.785 176.265 175.510 -0.050 0.000 0.987 216 N CA 2.023 55.036 53.050 -0.062 0.000 0.908 216 N CB -0.423 37.999 38.487 -0.108 0.000 1.035 216 N HN 0.577 nan 8.380 nan 0.000 0.481 217 K N -0.359 120.029 120.400 -0.021 0.000 3.177 217 K HA -0.232 4.088 4.320 -0.000 0.000 0.266 217 K C -1.006 175.616 176.600 0.037 0.000 0.937 217 K CA 0.992 57.292 56.287 0.021 0.000 0.702 217 K CB -1.593 30.928 32.500 0.035 0.000 1.365 217 K HN 0.486 nan 8.250 nan 0.000 0.466 218 S N -1.457 114.193 115.700 -0.084 0.000 4.266 218 S HA 0.059 4.529 4.470 -0.000 0.000 0.071 218 S C -0.189 174.178 174.600 -0.388 0.000 0.860 218 S CA -0.617 57.395 58.200 -0.313 0.000 0.847 218 S CB -0.202 62.717 63.200 -0.469 0.000 0.824 218 S HN 0.343 nan 8.310 nan 0.000 0.757 219 E N 0.928 120.912 120.200 -0.361 0.000 2.539 219 E HA 0.292 4.642 4.350 -0.000 0.000 0.215 219 E C 0.359 176.576 176.600 -0.639 0.000 0.965 219 E CA 0.578 56.670 56.400 -0.512 0.000 1.019 219 E CB 1.770 31.174 29.700 -0.493 0.000 1.059 219 E HN 0.798 nan 8.360 nan 0.000 0.496 220 V N -1.662 117.993 119.914 -0.432 0.000 2.969 220 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 220 V C -3.041 173.104 176.094 0.085 0.000 1.192 220 V CA -2.887 59.235 62.300 -0.296 0.000 0.962 220 V CB 1.864 33.278 31.823 -0.681 0.000 1.045 220 V HN -0.236 nan 8.190 nan 0.000 0.428 221 P HA -0.024 nan 4.420 nan 0.000 0.270 221 P C 0.962 178.478 177.300 0.360 0.000 1.181 221 P CA 0.143 63.476 63.100 0.388 0.000 0.767 221 P CB 0.434 32.432 31.700 0.497 0.000 0.799 222 L N 2.159 123.570 121.223 0.312 0.000 2.197 222 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 222 L C 1.873 178.969 176.870 0.378 0.000 1.095 222 L CA 2.411 57.395 54.840 0.241 0.000 0.764 222 L CB -1.334 40.843 42.059 0.196 0.000 0.897 222 L HN 0.520 nan 8.230 nan 0.000 0.436 223 D N -0.957 119.715 120.400 0.454 0.000 2.137 223 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 223 D C 1.971 178.430 176.300 0.266 0.000 0.970 223 D CA 1.563 55.769 54.000 0.342 0.000 0.837 223 D CB -0.540 40.403 40.800 0.239 0.000 0.981 223 D HN 0.479 nan 8.370 nan 0.000 0.475 224 I N -0.259 120.486 120.570 0.292 0.000 2.852 224 I HA 0.002 4.172 4.170 -0.000 0.000 0.264 224 I C 1.750 178.115 176.117 0.412 0.000 1.179 224 I CA 0.241 61.749 61.300 0.346 0.000 1.480 224 I CB -0.888 37.396 38.000 0.473 0.000 1.111 224 I HN 0.140 nan 8.210 nan 0.000 0.441 225 C N 1.688 121.143 119.300 0.258 0.000 2.398 225 C HA -0.140 4.320 4.460 -0.000 0.000 0.279 225 C C 2.555 177.683 174.990 0.230 0.000 1.250 225 C CA 1.443 60.568 59.018 0.179 0.000 1.786 225 C CB -2.482 25.349 27.740 0.151 0.000 2.018 225 C HN 0.717 nan 8.230 nan 0.000 0.494 226 T N -2.017 112.661 114.554 0.206 0.000 3.054 226 T HA 0.290 4.640 4.350 -0.000 0.000 0.255 226 T C 0.449 175.234 174.700 0.141 0.000 1.035 226 T CA 0.224 62.415 62.100 0.151 0.000 0.941 226 T CB -0.040 68.899 68.868 0.118 0.000 1.026 226 T HN 0.585 nan 8.240 nan 0.000 0.533 227 S N 1.090 116.900 115.700 0.183 0.000 2.798 227 S HA 0.784 5.254 4.470 -0.000 0.000 0.312 227 S C -0.864 173.750 174.600 0.024 0.000 1.122 227 S CA -0.965 57.296 58.200 0.100 0.000 0.949 227 S CB 0.825 64.081 63.200 0.092 0.000 1.235 227 S HN 0.131 nan 8.310 nan 0.000 0.552 228 I N 0.769 121.296 120.570 -0.072 0.000 2.377 228 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 228 I C -0.613 175.390 176.117 -0.191 0.000 0.987 228 I CA -0.718 60.460 61.300 -0.203 0.000 1.185 228 I CB 0.528 38.342 38.000 -0.310 0.000 1.341 228 I HN 0.529 nan 8.210 nan 0.000 0.455 229 C N 6.054 125.205 119.300 -0.248 0.000 2.264 229 C HA 0.465 4.925 4.460 -0.000 0.000 0.324 229 C C 0.411 175.402 174.990 0.002 0.000 1.267 229 C CA -0.803 58.161 59.018 -0.090 0.000 1.618 229 C CB -0.436 27.251 27.740 -0.089 0.000 2.278 229 C HN 0.631 nan 8.230 nan 0.000 0.499 230 K N 2.496 122.938 120.400 0.071 0.000 2.221 230 K HA 0.441 4.761 4.320 -0.000 0.000 0.258 230 K C -1.384 175.349 176.600 0.222 0.000 0.944 230 K CA -0.541 55.785 56.287 0.066 0.000 0.823 230 K CB 2.044 34.459 32.500 -0.141 0.000 1.113 230 K HN 0.610 nan 8.250 nan 0.000 0.431 231 Y N 3.653 123.954 120.300 0.000 0.000 2.341 231 Y HA 0.301 4.851 4.550 -0.000 0.000 0.338 231 Y C -2.534 173.258 175.900 -0.180 0.000 0.965 231 Y CA -2.707 55.382 58.100 -0.017 0.000 1.108 231 Y CB 1.441 39.873 38.460 -0.047 0.000 1.180 231 Y HN 0.439 nan 8.280 nan 0.000 0.458 232 P HA -0.099 nan 4.420 nan 0.000 0.260 232 P C -0.670 176.000 177.300 -1.049 0.000 1.172 232 P CA 0.683 63.210 63.100 -0.954 0.000 0.760 232 P CB 0.419 31.402 31.700 -1.195 0.000 0.773 233 D N 3.100 123.161 120.400 -0.565 0.000 2.619 233 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 233 D C 0.808 176.938 176.300 -0.284 0.000 1.133 233 D CA -0.005 53.769 54.000 -0.377 0.000 1.017 233 D CB -0.561 40.111 40.800 -0.212 0.000 1.077 233 D HN 0.376 nan 8.370 nan 0.000 0.503 234 Y N 1.537 121.694 120.300 -0.239 0.000 2.014 234 Y HA -0.316 4.234 4.550 -0.000 0.000 0.270 234 Y C 2.361 178.176 175.900 -0.142 0.000 1.145 234 Y CA 0.160 58.105 58.100 -0.259 0.000 1.106 234 Y CB -0.100 38.216 38.460 -0.241 0.000 0.968 234 Y HN 0.272 nan 8.280 nan 0.000 0.484 235 I N 0.575 121.198 120.570 0.087 0.000 2.210 235 I HA -0.442 3.728 4.170 -0.000 0.000 0.249 235 I C 2.228 178.357 176.117 0.020 0.000 1.047 235 I CA 1.936 63.268 61.300 0.054 0.000 1.323 235 I CB -1.136 36.890 38.000 0.043 0.000 1.017 235 I HN 0.365 nan 8.210 nan 0.000 0.427 236 K N -0.015 120.374 120.400 -0.018 0.000 2.128 236 K HA 0.024 4.344 4.320 -0.000 0.000 0.202 236 K C 2.211 178.803 176.600 -0.014 0.000 1.050 236 K CA 0.622 56.896 56.287 -0.022 0.000 0.966 236 K CB 0.109 32.580 32.500 -0.049 0.000 0.759 236 K HN 0.211 nan 8.250 nan 0.000 0.454 237 M N 0.473 120.052 119.600 -0.035 0.000 2.296 237 M HA -0.117 4.363 4.480 -0.000 0.000 0.265 237 M C 1.934 178.240 176.300 0.009 0.000 1.064 237 M CA 0.869 56.152 55.300 -0.028 0.000 1.109 237 M CB 0.192 32.751 32.600 -0.070 0.000 1.396 237 M HN -0.056 nan 8.290 nan 0.000 0.430 238 V N -0.995 118.928 119.914 0.015 0.000 2.407 238 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 238 V C 2.173 178.311 176.094 0.074 0.000 1.041 238 V CA 1.583 63.912 62.300 0.049 0.000 1.040 238 V CB -0.336 31.519 31.823 0.053 0.000 0.671 238 V HN 0.376 nan 8.190 nan 0.000 0.455 239 S N -0.378 115.357 115.700 0.058 0.000 2.465 239 S HA -0.148 4.322 4.470 -0.000 0.000 0.241 239 S C 0.971 175.615 174.600 0.073 0.000 1.000 239 S CA 0.621 58.859 58.200 0.062 0.000 0.964 239 S CB -0.427 62.800 63.200 0.044 0.000 0.763 239 S HN 0.760 nan 8.310 nan 0.000 0.512 240 E N 2.852 123.098 120.200 0.077 0.000 2.608 240 E HA -0.048 4.302 4.350 -0.000 0.000 0.259 240 E C -1.037 175.647 176.600 0.139 0.000 0.951 240 E CA -0.877 55.583 56.400 0.100 0.000 0.945 240 E CB 0.469 30.227 29.700 0.096 0.000 0.916 240 E HN 0.095 nan 8.360 nan 0.000 0.477 241 P HA -0.187 nan 4.420 nan 0.000 0.208 241 P C 0.700 178.077 177.300 0.128 0.000 1.200 241 P CA 1.388 64.536 63.100 0.081 0.000 0.924 241 P CB -0.297 31.392 31.700 -0.019 0.000 0.774 242 Y N -0.018 120.338 120.300 0.093 0.000 2.651 242 Y HA 0.112 4.662 4.550 -0.000 0.000 0.296 242 Y C 1.818 177.874 175.900 0.260 0.000 1.150 242 Y CA 1.184 59.374 58.100 0.150 0.000 1.348 242 Y CB -1.268 37.249 38.460 0.096 0.000 0.983 242 Y HN 0.203 nan 8.280 nan 0.000 0.555 243 G N 0.512 109.533 108.800 0.369 0.000 2.273 243 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.280 243 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.280 243 G C 0.383 175.471 174.900 0.313 0.000 1.047 243 G CA 0.648 45.940 45.100 0.320 0.000 0.869 243 G HN 0.414 nan 8.290 nan 0.000 0.502 244 D N -0.254 120.303 120.400 0.262 0.000 2.305 244 D HA 0.123 4.763 4.640 -0.000 0.000 0.206 244 D C 2.471 178.793 176.300 0.037 0.000 0.974 244 D CA 1.042 55.168 54.000 0.210 0.000 0.871 244 D CB 0.075 40.998 40.800 0.205 0.000 0.947 244 D HN 0.382 nan 8.370 nan 0.000 0.516 245 S N 0.334 116.045 115.700 0.019 0.000 2.363 245 S HA -0.031 4.438 4.470 -0.000 0.000 0.218 245 S C 0.986 175.484 174.600 -0.170 0.000 1.035 245 S CA 0.779 58.944 58.200 -0.057 0.000 1.043 245 S CB -0.229 62.948 63.200 -0.039 0.000 0.986 245 S HN 0.338 nan 8.310 nan 0.000 0.423 246 L N -1.550 119.584 121.223 -0.148 0.000 2.472 246 L HA 0.618 4.958 4.340 -0.000 0.000 0.260 246 L C -0.389 176.473 176.870 -0.015 0.000 0.963 246 L CA -0.948 53.742 54.840 -0.250 0.000 0.829 246 L CB 1.510 43.483 42.059 -0.142 0.000 1.348 246 L HN 0.253 nan 8.230 nan 0.000 0.408 247 F N 0.467 120.530 119.950 0.189 0.000 2.752 247 F HA 0.532 5.059 4.527 -0.000 0.000 0.310 247 F C -0.224 175.756 175.800 0.299 0.000 1.097 247 F CA -1.120 57.005 58.000 0.209 0.000 1.238 247 F CB -0.091 39.016 39.000 0.177 0.000 1.061 247 F HN 0.347 nan 8.300 nan 0.000 0.591 248 F N 2.368 122.689 119.950 0.618 0.000 2.569 248 F HA 0.652 5.179 4.527 -0.000 0.000 0.312 248 F C -1.480 174.503 175.800 0.305 0.000 1.109 248 F CA -2.115 56.097 58.000 0.353 0.000 0.919 248 F CB 1.638 40.814 39.000 0.293 0.000 1.211 248 F HN 0.101 nan 8.300 nan 0.000 0.446 249 Y N 4.875 124.614 120.300 -0.935 0.000 2.573 249 Y HA 0.686 5.236 4.550 -0.000 0.000 0.328 249 Y C -2.560 172.812 175.900 -0.880 0.000 1.170 249 Y CA -1.934 55.668 58.100 -0.830 0.000 1.078 249 Y CB 0.945 39.146 38.460 -0.432 0.000 1.341 249 Y HN 0.614 nan 8.280 nan 0.000 0.459 250 L N 1.105 121.959 121.223 -0.614 0.000 2.526 250 L HA 0.801 5.141 4.340 -0.000 0.000 0.263 250 L C -0.960 175.757 176.870 -0.255 0.000 0.943 250 L CA -1.889 52.611 54.840 -0.567 0.000 0.859 250 L CB 1.924 43.593 42.059 -0.650 0.000 1.313 250 L HN 0.892 nan 8.230 nan 0.000 0.406 251 R N 0.744 121.151 120.500 -0.155 0.000 2.778 251 R HA 0.961 5.301 4.340 -0.000 0.000 0.277 251 R C -0.683 175.609 176.300 -0.013 0.000 0.977 251 R CA -0.968 55.134 56.100 0.003 0.000 0.950 251 R CB 2.302 32.653 30.300 0.085 0.000 1.165 251 R HN 0.684 nan 8.270 nan 0.000 0.474 252 R N 1.198 121.728 120.500 0.049 0.000 3.039 252 R HA 0.111 4.451 4.340 -0.000 0.000 0.264 252 R C -1.540 174.807 176.300 0.078 0.000 1.708 252 R CA -0.245 55.876 56.100 0.036 0.000 1.134 252 R CB 1.056 31.349 30.300 -0.012 0.000 1.386 252 R HN 0.955 nan 8.270 nan 0.000 0.477 253 E N 2.996 123.253 120.200 0.095 0.000 2.277 253 E HA 0.470 4.820 4.350 -0.000 0.000 0.266 253 E C -1.290 175.354 176.600 0.074 0.000 0.901 253 E CA -1.087 55.373 56.400 0.099 0.000 0.782 253 E CB 2.446 32.224 29.700 0.130 0.000 1.228 253 E HN 0.478 nan 8.360 nan 0.000 0.424 254 Q N 2.207 122.050 119.800 0.073 0.000 2.403 254 Q HA 0.528 4.868 4.340 -0.000 0.000 0.267 254 Q C -1.266 174.789 176.000 0.091 0.000 0.991 254 Q CA -0.930 54.916 55.803 0.071 0.000 0.906 254 Q CB 2.077 30.851 28.738 0.059 0.000 1.422 254 Q HN 0.634 nan 8.270 nan 0.000 0.400 255 M N 3.055 122.719 119.600 0.107 0.000 2.813 255 M HA 0.797 5.277 4.480 -0.000 0.000 0.270 255 M C -2.031 174.411 176.300 0.238 0.000 1.267 255 M CA -0.574 54.801 55.300 0.126 0.000 0.822 255 M CB 2.476 35.099 32.600 0.038 0.000 1.671 255 M HN 1.038 nan 8.290 nan 0.000 0.468 256 F N -0.446 119.478 119.950 -0.043 0.000 2.978 256 F HA 0.651 5.178 4.527 -0.000 0.000 0.324 256 F C -1.880 173.876 175.800 -0.073 0.000 1.157 256 F CA -1.184 56.784 58.000 -0.052 0.000 0.879 256 F CB 0.351 39.320 39.000 -0.051 0.000 1.364 256 F HN 0.350 nan 8.300 nan 0.000 0.465 257 V N 1.327 121.224 119.914 -0.027 0.000 2.406 257 V HA 0.523 4.643 4.120 -0.000 0.000 0.272 257 V C 0.630 176.494 176.094 -0.383 0.000 1.043 257 V CA -0.117 62.061 62.300 -0.203 0.000 0.915 257 V CB 0.802 32.598 31.823 -0.045 0.000 0.988 257 V HN 1.015 nan 8.190 nan 0.000 0.466 258 R N 2.811 123.004 120.500 -0.512 0.000 2.128 258 R HA 0.243 4.583 4.340 -0.000 0.000 0.211 258 R C 0.421 176.472 176.300 -0.415 0.000 1.067 258 R CA 0.906 56.747 56.100 -0.431 0.000 1.010 258 R CB 0.126 30.217 30.300 -0.348 0.000 0.922 258 R HN 0.883 nan 8.270 nan 0.000 0.457 259 H N -1.934 116.910 119.070 -0.377 0.000 2.977 259 H HA 0.500 5.056 4.556 -0.000 0.000 0.350 259 H C -1.634 173.312 175.328 -0.637 0.000 1.238 259 H CA -0.860 54.885 56.048 -0.505 0.000 1.124 259 H CB 1.707 31.046 29.762 -0.704 0.000 1.866 259 H HN -0.099 nan 8.280 nan 0.000 0.550 260 L N 1.779 122.757 121.223 -0.408 0.000 2.346 260 L HA 0.530 4.870 4.340 -0.000 0.000 0.276 260 L C -1.120 175.582 176.870 -0.280 0.000 1.006 260 L CA -0.096 54.534 54.840 -0.350 0.000 0.817 260 L CB 0.961 42.935 42.059 -0.141 0.000 1.272 260 L HN 0.463 nan 8.230 nan 0.000 0.421 261 F N 0.214 119.983 119.950 -0.301 0.000 2.662 261 F HA 0.386 4.913 4.527 -0.000 0.000 0.312 261 F C -0.298 175.395 175.800 -0.179 0.000 1.113 261 F CA -1.088 56.694 58.000 -0.364 0.000 0.951 261 F CB 2.244 40.782 39.000 -0.771 0.000 1.344 261 F HN 0.405 nan 8.300 nan 0.000 0.462 262 N N 0.774 119.584 118.700 0.183 0.000 2.372 262 N HA 0.309 5.049 4.740 -0.000 0.000 0.291 262 N C -1.106 174.540 175.510 0.228 0.000 1.024 262 N CA -0.799 52.335 53.050 0.141 0.000 0.873 262 N CB 1.048 39.554 38.487 0.031 0.000 1.206 262 N HN 0.367 nan 8.380 nan 0.000 0.486 263 R N 1.836 122.455 120.500 0.198 0.000 2.340 263 R HA 0.321 4.661 4.340 -0.000 0.000 0.300 263 R C -0.139 176.161 176.300 0.000 0.000 1.069 263 R CA -0.194 55.965 56.100 0.098 0.000 0.984 263 R CB 0.980 31.288 30.300 0.013 0.000 1.003 263 R HN 0.574 nan 8.270 nan 0.000 0.459 264 A N 1.331 124.136 122.820 -0.025 0.000 2.240 264 A HA 0.760 5.080 4.320 -0.000 0.000 0.292 264 A C 0.430 177.983 177.584 -0.052 0.000 1.121 264 A CA 0.308 52.321 52.037 -0.040 0.000 0.851 264 A CB 0.418 19.388 19.000 -0.050 0.000 1.167 264 A HN 0.818 nan 8.150 nan 0.000 0.503 265 G N -1.793 106.978 108.800 -0.048 0.000 2.541 265 G HA2 0.406 4.366 3.960 -0.000 0.000 0.686 265 G HA3 0.406 4.366 3.960 -0.000 0.000 0.686 265 G C -0.062 174.813 174.900 -0.041 0.000 1.286 265 G CA 0.180 45.251 45.100 -0.048 0.000 0.894 265 G HN 2.127 nan 8.290 nan 0.000 0.575 266 T N -2.326 112.205 114.554 -0.037 0.000 2.816 266 T HA 0.607 4.957 4.350 -0.000 0.000 0.282 266 T C 0.694 175.377 174.700 -0.029 0.000 0.993 266 T CA -0.009 62.073 62.100 -0.030 0.000 0.994 266 T CB 1.439 70.291 68.868 -0.025 0.000 1.025 266 T HN 1.518 nan 8.240 nan 0.000 0.529 267 V N 2.416 122.316 119.914 -0.023 0.000 2.521 267 V HA 0.372 4.492 4.120 -0.000 0.000 0.286 267 V C 1.712 177.797 176.094 -0.016 0.000 1.034 267 V CA 0.471 62.758 62.300 -0.020 0.000 1.045 267 V CB 0.457 32.273 31.823 -0.012 0.000 0.974 267 V HN 1.193 nan 8.190 nan 0.000 0.480 268 G N 4.288 113.078 108.800 -0.017 0.000 2.408 268 G HA2 0.044 4.004 3.960 -0.000 0.000 0.215 268 G HA3 0.044 4.004 3.960 -0.000 0.000 0.215 268 G C 0.393 175.289 174.900 -0.006 0.000 1.156 268 G CA 0.213 45.305 45.100 -0.013 0.000 0.793 268 G HN 0.673 nan 8.290 nan 0.000 0.535 269 E N -0.578 119.621 120.200 -0.001 0.000 2.343 269 E HA 0.290 4.640 4.350 -0.000 0.000 0.278 269 E C -1.723 174.887 176.600 0.017 0.000 0.910 269 E CA -0.776 55.629 56.400 0.009 0.000 0.757 269 E CB 1.636 31.342 29.700 0.010 0.000 1.218 269 E HN 0.040 nan 8.360 nan 0.000 0.435 270 N N 0.683 119.400 118.700 0.028 0.000 2.434 270 N HA 0.202 4.941 4.740 -0.000 0.000 0.272 270 N C -0.886 174.671 175.510 0.078 0.000 1.040 270 N CA -0.404 52.675 53.050 0.048 0.000 0.956 270 N CB 1.294 39.813 38.487 0.052 0.000 1.108 270 N HN 0.111 nan 8.380 nan 0.000 0.481 271 V N 4.098 124.069 119.914 0.096 0.000 2.506 271 V HA 0.029 4.149 4.120 -0.000 0.000 0.296 271 V C -1.825 174.424 176.094 0.259 0.000 1.004 271 V CA -0.774 61.624 62.300 0.163 0.000 1.150 271 V CB -0.348 31.572 31.823 0.161 0.000 0.911 271 V HN 0.602 nan 8.190 nan 0.000 0.476 272 P HA 0.116 nan 4.420 nan 0.000 0.267 272 P C 0.186 177.500 177.300 0.023 0.000 1.209 272 P CA -0.223 62.930 63.100 0.088 0.000 0.763 272 P CB 0.400 32.132 31.700 0.052 0.000 0.816 273 D N 1.301 121.629 120.400 -0.120 0.000 2.379 273 D HA -0.128 4.512 4.640 -0.000 0.000 0.243 273 D C 0.371 176.356 176.300 -0.525 0.000 1.088 273 D CA 0.624 54.314 54.000 -0.516 0.000 0.925 273 D CB -0.558 40.068 40.800 -0.290 0.000 0.888 273 D HN 0.386 nan 8.370 nan 0.000 0.529 274 D N 0.071 120.306 120.400 -0.275 0.000 2.398 274 D HA -0.018 4.622 4.640 -0.000 0.000 0.210 274 D C 1.504 177.740 176.300 -0.106 0.000 1.094 274 D CA -0.156 53.737 54.000 -0.178 0.000 0.839 274 D CB -0.081 40.668 40.800 -0.084 0.000 0.963 274 D HN 0.292 nan 8.370 nan 0.000 0.506 275 L N 0.018 121.205 121.223 -0.061 0.000 2.629 275 L HA 0.229 4.569 4.340 -0.000 0.000 0.230 275 L C -0.062 176.954 176.870 0.243 0.000 1.151 275 L CA -0.205 54.702 54.840 0.113 0.000 0.924 275 L CB -0.806 41.376 42.059 0.205 0.000 1.137 275 L HN 0.084 nan 8.230 nan 0.000 0.457 276 Y N -2.067 118.250 120.300 0.029 0.000 2.925 276 Y HA 0.605 5.155 4.550 -0.000 0.000 0.349 276 Y C -1.550 174.367 175.900 0.028 0.000 1.342 276 Y CA -1.945 56.175 58.100 0.033 0.000 1.093 276 Y CB 0.688 39.174 38.460 0.043 0.000 1.571 276 Y HN -0.205 nan 8.280 nan 0.000 0.438 277 I N 2.037 122.848 120.570 0.403 0.000 2.509 277 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 277 I C -0.424 175.940 176.117 0.412 0.000 1.020 277 I CA -1.440 60.011 61.300 0.253 0.000 1.088 277 I CB 1.854 39.934 38.000 0.134 0.000 1.267 277 I HN 0.478 nan 8.210 nan 0.000 0.430 278 K N 2.725 123.276 120.400 0.251 0.000 2.508 278 K HA 0.096 4.416 4.320 -0.000 0.000 0.273 278 K C 0.413 177.096 176.600 0.139 0.000 0.964 278 K CA 0.248 56.663 56.287 0.214 0.000 0.948 278 K CB 0.714 33.280 32.500 0.109 0.000 0.917 278 K HN 0.953 nan 8.250 nan 0.000 0.512 279 G N -0.169 108.683 108.800 0.086 0.000 3.039 279 G HA2 0.381 4.341 3.960 -0.000 0.000 0.159 279 G HA3 0.381 4.341 3.960 -0.000 0.000 0.159 279 G C -0.916 173.993 174.900 0.016 0.000 1.284 279 G CA -0.305 44.822 45.100 0.045 0.000 0.996 279 G HN 0.554 nan 8.290 nan 0.000 0.592 280 S N -1.313 114.383 115.700 -0.006 0.000 2.614 280 S HA 0.628 5.098 4.470 -0.000 0.000 0.288 280 S C 0.560 175.133 174.600 -0.044 0.000 1.137 280 S CA 0.700 58.891 58.200 -0.015 0.000 0.992 280 S CB 1.161 64.361 63.200 0.000 0.000 1.026 280 S HN 2.527 nan 8.310 nan 0.000 0.486 281 G N 3.954 112.726 108.800 -0.047 0.000 2.596 281 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.295 281 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.295 281 G C 1.209 176.039 174.900 -0.117 0.000 1.240 281 G CA 1.562 46.626 45.100 -0.060 0.000 0.985 281 G HN 2.199 nan 8.290 nan 0.000 0.555 282 S N -0.820 114.807 115.700 -0.122 0.000 2.406 282 S HA -0.319 4.151 4.470 -0.000 0.000 0.242 282 S C 2.414 176.747 174.600 -0.444 0.000 1.079 282 S CA 4.118 62.191 58.200 -0.211 0.000 1.133 282 S CB -1.696 61.444 63.200 -0.100 0.000 1.005 282 S HN 2.380 nan 8.310 nan 0.000 0.443 283 T N -0.864 113.512 114.554 -0.296 0.000 3.118 283 T HA 0.483 4.833 4.350 -0.000 0.000 0.260 283 T C 1.595 176.163 174.700 -0.220 0.000 1.139 283 T CA 0.628 62.538 62.100 -0.317 0.000 1.085 283 T CB -0.337 68.535 68.868 0.007 0.000 0.934 283 T HN 0.637 nan 8.240 nan 0.000 0.518 284 A N 1.133 123.850 122.820 -0.172 0.000 2.169 284 A HA 0.292 4.612 4.320 -0.000 0.000 0.212 284 A C 1.028 178.553 177.584 -0.098 0.000 1.153 284 A CA -0.119 51.867 52.037 -0.085 0.000 0.756 284 A CB -0.282 18.685 19.000 -0.055 0.000 0.813 284 A HN 0.427 nan 8.150 nan 0.000 0.471 285 N N 0.554 119.143 118.700 -0.185 0.000 2.546 285 N HA 0.432 5.171 4.740 -0.000 0.000 0.238 285 N C -1.138 174.268 175.510 -0.173 0.000 0.984 285 N CA -0.402 52.551 53.050 -0.160 0.000 0.935 285 N CB 0.471 38.865 38.487 -0.154 0.000 1.122 285 N HN 0.105 nan 8.380 nan 0.000 0.510 286 L N 2.054 123.218 121.223 -0.098 0.000 2.559 286 L HA 0.171 4.511 4.340 -0.000 0.000 0.274 286 L C 0.796 177.670 176.870 0.007 0.000 1.205 286 L CA 0.329 55.139 54.840 -0.050 0.000 0.907 286 L CB 0.049 42.040 42.059 -0.113 0.000 1.153 286 L HN 0.523 nan 8.230 nan 0.000 0.490 287 A N 3.154 126.056 122.820 0.137 0.000 2.287 287 A HA 0.386 4.706 4.320 -0.000 0.000 0.273 287 A C 0.511 178.087 177.584 -0.014 0.000 1.091 287 A CA -0.408 51.694 52.037 0.109 0.000 0.817 287 A CB 0.325 19.474 19.000 0.248 0.000 1.069 287 A HN 0.663 nan 8.150 nan 0.000 0.492 288 S N 0.109 115.778 115.700 -0.051 0.000 3.074 288 S HA -0.030 4.440 4.470 -0.000 0.000 0.359 288 S C 1.296 175.734 174.600 -0.270 0.000 1.207 288 S CA 0.745 58.870 58.200 -0.126 0.000 1.061 288 S CB -0.096 63.036 63.200 -0.113 0.000 0.769 288 S HN 1.066 nan 8.310 nan 0.000 0.512 289 S N 3.930 119.477 115.700 -0.255 0.000 2.556 289 S HA 0.164 4.634 4.470 -0.000 0.000 0.216 289 S C 0.311 174.591 174.600 -0.532 0.000 0.970 289 S CA -0.448 57.510 58.200 -0.404 0.000 0.912 289 S CB -0.388 62.727 63.200 -0.142 0.000 0.790 289 S HN 0.816 nan 8.310 nan 0.000 0.504 290 N N 2.234 120.735 118.700 -0.332 0.000 2.508 290 N HA 0.168 4.908 4.740 -0.000 0.000 0.253 290 N C -1.369 174.088 175.510 -0.089 0.000 1.145 290 N CA -0.160 52.797 53.050 -0.155 0.000 0.973 290 N CB 0.254 38.711 38.487 -0.050 0.000 1.305 290 N HN 0.354 nan 8.380 nan 0.000 0.506 291 Y N 1.663 122.036 120.300 0.123 0.000 2.376 291 Y HA 0.480 5.030 4.550 -0.000 0.000 0.325 291 Y C 0.075 176.123 175.900 0.246 0.000 1.199 291 Y CA -1.188 57.001 58.100 0.148 0.000 1.206 291 Y CB 0.646 39.143 38.460 0.063 0.000 1.229 291 Y HN 0.294 nan 8.280 nan 0.000 0.480 292 F N 2.116 122.223 119.950 0.261 0.000 2.581 292 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 292 F C -3.577 172.349 175.800 0.210 0.000 1.113 292 F CA -2.724 55.407 58.000 0.220 0.000 0.935 292 F CB 2.240 41.339 39.000 0.165 0.000 1.232 292 F HN 0.207 nan 8.300 nan 0.000 0.445 293 P HA 0.394 nan 4.420 nan 0.000 0.292 293 P C -1.356 175.978 177.300 0.057 0.000 1.308 293 P CA -0.458 62.584 63.100 -0.095 0.000 0.933 293 P CB 2.524 34.191 31.700 -0.055 0.000 1.217 294 T N -0.777 113.686 114.554 -0.151 0.000 2.875 294 T HA 0.510 4.860 4.350 -0.000 0.000 0.284 294 T C -2.175 172.372 174.700 -0.255 0.000 0.995 294 T CA -2.077 59.983 62.100 -0.067 0.000 1.060 294 T CB 1.097 69.931 68.868 -0.056 0.000 0.967 294 T HN 0.310 nan 8.240 nan 0.000 0.476 295 P HA 0.498 nan 4.420 nan 0.000 0.297 295 P C -0.785 176.283 177.300 -0.386 0.000 1.307 295 P CA -0.725 62.156 63.100 -0.365 0.000 0.773 295 P CB 1.241 32.757 31.700 -0.306 0.000 1.265 296 S N -1.289 114.149 115.700 -0.437 0.000 2.616 296 S HA 0.528 4.998 4.470 -0.000 0.000 0.276 296 S C -0.649 173.880 174.600 -0.119 0.000 1.159 296 S CA -0.649 57.315 58.200 -0.393 0.000 1.000 296 S CB -0.059 62.622 63.200 -0.864 0.000 1.117 296 S HN 0.614 nan 8.310 nan 0.000 0.464 297 G N 2.875 111.662 108.800 -0.021 0.000 2.350 297 G HA2 0.466 4.426 3.960 -0.000 0.000 0.306 297 G HA3 0.466 4.426 3.960 -0.000 0.000 0.306 297 G C 0.252 175.214 174.900 0.103 0.000 1.094 297 G CA -0.261 44.876 45.100 0.063 0.000 0.953 297 G HN 0.772 nan 8.290 nan 0.000 0.420 298 S N 2.692 118.499 115.700 0.179 0.000 2.598 298 S HA 0.162 4.632 4.470 -0.000 0.000 0.256 298 S C 1.175 175.824 174.600 0.082 0.000 1.350 298 S CA -0.611 57.687 58.200 0.163 0.000 0.984 298 S CB 0.173 63.450 63.200 0.128 0.000 0.930 298 S HN 0.628 nan 8.310 nan 0.000 0.577 299 M N 2.884 122.519 119.600 0.058 0.000 2.234 299 M HA -0.049 4.431 4.480 -0.000 0.000 0.409 299 M C -0.440 175.880 176.300 0.033 0.000 1.378 299 M CA 0.097 55.418 55.300 0.035 0.000 0.815 299 M CB -0.130 32.481 32.600 0.018 0.000 1.971 299 M HN 0.505 nan 8.290 nan 0.000 0.506 300 V N 2.995 122.928 119.914 0.032 0.000 2.509 300 V HA 0.710 4.830 4.120 -0.000 0.000 0.284 300 V C -0.121 175.989 176.094 0.025 0.000 1.047 300 V CA -0.539 61.781 62.300 0.034 0.000 0.952 300 V CB 1.489 33.335 31.823 0.038 0.000 0.988 300 V HN 0.873 nan 8.190 nan 0.000 0.469 301 T N 2.358 116.927 114.554 0.024 0.000 2.879 301 T HA 0.346 4.696 4.350 -0.000 0.000 0.290 301 T C 1.004 175.714 174.700 0.018 0.000 0.993 301 T CA 0.391 62.500 62.100 0.016 0.000 0.975 301 T CB 1.693 70.566 68.868 0.008 0.000 0.981 301 T HN 1.131 nan 8.240 nan 0.000 0.439 302 S N 3.667 119.376 115.700 0.015 0.000 2.412 302 S HA -0.218 4.252 4.470 -0.000 0.000 0.246 302 S C 1.247 175.850 174.600 0.006 0.000 1.073 302 S CA 2.609 60.817 58.200 0.013 0.000 1.186 302 S CB -0.798 62.407 63.200 0.008 0.000 1.084 302 S HN 0.903 nan 8.310 nan 0.000 0.434 303 D N 0.582 120.982 120.400 -0.000 0.000 2.429 303 D HA 0.137 4.777 4.640 -0.000 0.000 0.237 303 D C 0.805 177.099 176.300 -0.011 0.000 1.045 303 D CA 0.865 54.861 54.000 -0.007 0.000 0.974 303 D CB -0.175 40.620 40.800 -0.008 0.000 0.871 303 D HN 0.433 nan 8.370 nan 0.000 0.525 304 A N -0.538 122.278 122.820 -0.007 0.000 2.704 304 A HA 0.055 4.375 4.320 -0.000 0.000 0.260 304 A C 0.378 177.948 177.584 -0.025 0.000 1.144 304 A CA -0.395 51.632 52.037 -0.016 0.000 0.985 304 A CB 0.427 19.423 19.000 -0.007 0.000 1.256 304 A HN -0.085 nan 8.150 nan 0.000 0.598 305 Q N 1.076 120.870 119.800 -0.010 0.000 2.362 305 Q HA 0.000 4.340 4.340 -0.000 0.000 0.305 305 Q C 1.077 176.999 176.000 -0.129 0.000 1.120 305 Q CA 0.031 55.827 55.803 -0.012 0.000 1.011 305 Q CB 0.191 28.950 28.738 0.035 0.000 1.048 305 Q HN 0.453 nan 8.270 nan 0.000 0.386 306 I N 2.104 122.472 120.570 -0.336 0.000 2.394 306 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 306 I C 0.863 176.601 176.117 -0.632 0.000 1.136 306 I CA 0.922 61.819 61.300 -0.671 0.000 1.425 306 I CB -0.600 36.730 38.000 -1.117 0.000 1.079 306 I HN 0.337 nan 8.210 nan 0.000 0.425 307 F N 0.280 120.283 119.950 0.089 0.000 2.440 307 F HA 0.364 4.891 4.527 -0.000 0.000 0.328 307 F C 1.370 177.159 175.800 -0.018 0.000 1.070 307 F CA -0.601 57.444 58.000 0.074 0.000 1.011 307 F CB 0.545 39.554 39.000 0.014 0.000 1.226 307 F HN -0.124 nan 8.300 nan 0.000 0.491 308 N N -0.245 118.490 118.700 0.059 0.000 2.984 308 N HA -0.226 4.514 4.740 -0.000 0.000 0.227 308 N C -0.602 174.834 175.510 -0.123 0.000 0.903 308 N CA 0.836 53.860 53.050 -0.043 0.000 0.995 308 N CB -0.639 37.846 38.487 -0.003 0.000 1.065 308 N HN 0.570 nan 8.380 nan 0.000 0.585 309 K N 0.518 120.816 120.400 -0.171 0.000 2.259 309 K HA 0.496 4.815 4.320 -0.000 0.000 0.249 309 K C -2.822 173.412 176.600 -0.609 0.000 0.942 309 K CA -2.008 54.139 56.287 -0.232 0.000 0.816 309 K CB 2.083 34.541 32.500 -0.070 0.000 1.155 309 K HN -0.144 nan 8.250 nan 0.000 0.428 310 P HA 0.187 nan 4.420 nan 0.000 0.296 310 P C -1.517 175.196 177.300 -0.977 0.000 1.306 310 P CA -0.380 62.074 63.100 -1.077 0.000 0.818 310 P CB 0.441 31.488 31.700 -1.087 0.000 0.969 311 Y N 1.266 121.087 120.300 -0.799 0.000 2.335 311 Y HA 0.330 4.880 4.550 -0.000 0.000 0.339 311 Y C 0.343 175.689 175.900 -0.923 0.000 0.987 311 Y CA -1.122 56.482 58.100 -0.826 0.000 1.140 311 Y CB 0.831 38.775 38.460 -0.861 0.000 1.173 311 Y HN 0.309 nan 8.280 nan 0.000 0.486 312 W N 4.916 126.026 121.300 -0.317 0.000 2.345 312 W HA 0.385 5.045 4.660 -0.000 0.000 0.308 312 W C -0.199 176.084 176.519 -0.392 0.000 1.273 312 W CA -0.754 56.401 57.345 -0.316 0.000 1.243 312 W CB 0.719 30.072 29.460 -0.178 0.000 1.260 312 W HN 0.494 nan 8.180 nan 0.000 0.509 313 L N 4.675 125.819 121.223 -0.132 0.000 3.034 313 L HA 0.082 4.422 4.340 -0.000 0.000 0.245 313 L C 1.980 178.750 176.870 -0.166 0.000 1.295 313 L CA -0.147 54.543 54.840 -0.250 0.000 1.068 313 L CB -0.453 41.384 42.059 -0.370 0.000 1.426 313 L HN 0.620 nan 8.230 nan 0.000 0.531 314 Q N 0.170 119.924 119.800 -0.077 0.000 2.084 314 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 314 Q C 1.010 176.975 176.000 -0.059 0.000 0.978 314 Q CA 1.046 56.814 55.803 -0.059 0.000 0.844 314 Q CB 0.149 28.860 28.738 -0.046 0.000 0.898 314 Q HN 0.444 nan 8.270 nan 0.000 0.426 315 R N -0.521 119.952 120.500 -0.046 0.000 2.939 315 R HA 0.799 5.139 4.340 -0.000 0.000 0.254 315 R C -1.667 174.619 176.300 -0.023 0.000 1.123 315 R CA -0.063 56.017 56.100 -0.034 0.000 1.020 315 R CB 2.337 32.631 30.300 -0.010 0.000 1.206 315 R HN 0.283 nan 8.270 nan 0.000 0.491 316 A N 0.562 123.385 122.820 0.005 0.000 2.555 316 A HA 0.204 4.523 4.320 -0.000 0.000 0.297 316 A C -0.648 176.977 177.584 0.069 0.000 1.060 316 A CA -0.782 51.298 52.037 0.073 0.000 0.710 316 A CB 1.658 20.731 19.000 0.123 0.000 1.282 316 A HN 0.722 nan 8.150 nan 0.000 0.399 317 Q N 1.057 120.909 119.800 0.087 0.000 2.437 317 Q HA 0.246 4.586 4.340 -0.000 0.000 0.210 317 Q C 0.773 176.787 176.000 0.023 0.000 0.972 317 Q CA 1.347 57.177 55.803 0.044 0.000 0.903 317 Q CB -0.366 28.409 28.738 0.061 0.000 0.967 317 Q HN 1.028 nan 8.270 nan 0.000 0.486 318 G N -1.202 107.660 108.800 0.104 0.000 2.488 318 G HA2 0.349 4.309 3.960 -0.000 0.000 0.318 318 G HA3 0.349 4.309 3.960 -0.000 0.000 0.318 318 G C -0.651 174.335 174.900 0.143 0.000 1.188 318 G CA -0.575 44.605 45.100 0.134 0.000 0.944 318 G HN 0.259 nan 8.290 nan 0.000 0.495 319 H N -0.510 118.688 119.070 0.213 0.000 2.333 319 H HA -0.026 4.530 4.556 -0.000 0.000 0.302 319 H C 1.549 177.039 175.328 0.270 0.000 1.075 319 H CA 1.202 57.386 56.048 0.227 0.000 1.348 319 H CB 0.237 30.149 29.762 0.251 0.000 1.393 319 H HN 0.429 nan 8.280 nan 0.000 0.509 320 N N 0.791 119.786 118.700 0.491 0.000 2.508 320 N HA -0.084 4.656 4.740 -0.000 0.000 0.264 320 N C 0.095 175.757 175.510 0.254 0.000 1.216 320 N CA 0.290 53.583 53.050 0.405 0.000 0.943 320 N CB 0.822 39.610 38.487 0.502 0.000 1.113 320 N HN 0.238 nan 8.380 nan 0.000 0.447 321 N N 0.595 119.333 118.700 0.062 0.000 2.143 321 N HA 0.256 4.995 4.740 -0.000 0.000 0.229 321 N C -0.196 175.115 175.510 -0.331 0.000 1.294 321 N CA 0.338 53.325 53.050 -0.105 0.000 0.883 321 N CB 0.435 38.883 38.487 -0.066 0.000 1.148 321 N HN 0.712 nan 8.380 nan 0.000 0.511 322 G N 0.382 108.991 108.800 -0.318 0.000 3.136 322 G HA2 0.014 3.974 3.960 -0.000 0.000 0.221 322 G HA3 0.014 3.974 3.960 -0.000 0.000 0.221 322 G C -0.748 174.061 174.900 -0.152 0.000 0.961 322 G CA -0.488 44.377 45.100 -0.390 0.000 0.983 322 G HN 0.091 nan 8.290 nan 0.000 0.648 323 I N 1.846 122.285 120.570 -0.218 0.000 2.311 323 I HA 0.219 4.389 4.170 -0.000 0.000 0.297 323 I C 0.868 176.758 176.117 -0.378 0.000 1.131 323 I CA -1.150 59.858 61.300 -0.486 0.000 1.289 323 I CB -0.270 37.049 38.000 -1.135 0.000 1.446 323 I HN 0.098 nan 8.210 nan 0.000 0.524 324 C N 6.331 125.594 119.300 -0.061 0.000 2.734 324 C HA 0.007 4.467 4.460 -0.000 0.000 0.398 324 C C 0.785 175.797 174.990 0.036 0.000 1.090 324 C CA -0.855 58.192 59.018 0.047 0.000 1.251 324 C CB -2.255 25.593 27.740 0.180 0.000 1.789 324 C HN 0.620 nan 8.230 nan 0.000 0.556 325 W N 1.861 123.217 121.300 0.092 0.000 2.489 325 W HA 0.390 5.050 4.660 -0.000 0.000 0.327 325 W C 1.307 177.784 176.519 -0.070 0.000 1.436 325 W CA 0.858 58.197 57.345 -0.010 0.000 1.315 325 W CB 0.238 29.676 29.460 -0.037 0.000 1.373 325 W HN 0.956 nan 8.180 nan 0.000 0.557 326 G N 2.720 111.612 108.800 0.154 0.000 2.175 326 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.244 326 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.244 326 G C 0.424 175.346 174.900 0.037 0.000 0.982 326 G CA -0.032 45.090 45.100 0.037 0.000 0.641 326 G HN 0.711 nan 8.290 nan 0.000 0.527 327 N N -0.729 118.015 118.700 0.073 0.000 2.741 327 N HA -0.162 4.577 4.740 -0.000 0.000 0.250 327 N C 0.202 175.677 175.510 -0.059 0.000 1.115 327 N CA 1.903 54.974 53.050 0.036 0.000 0.724 327 N CB -1.105 37.410 38.487 0.047 0.000 1.090 327 N HN 0.852 nan 8.380 nan 0.000 0.558 328 Q N -0.011 119.735 119.800 -0.091 0.000 2.266 328 Q HA 0.755 5.095 4.340 -0.000 0.000 0.261 328 Q C -0.428 175.405 176.000 -0.280 0.000 0.985 328 Q CA -0.446 55.204 55.803 -0.254 0.000 0.873 328 Q CB 2.366 30.901 28.738 -0.339 0.000 1.306 328 Q HN 0.245 nan 8.270 nan 0.000 0.447 329 L N 2.223 123.224 121.223 -0.369 0.000 2.472 329 L HA 0.486 4.826 4.340 -0.000 0.000 0.260 329 L C -1.674 175.116 176.870 -0.134 0.000 0.963 329 L CA -0.494 54.248 54.840 -0.163 0.000 0.829 329 L CB 1.813 43.860 42.059 -0.019 0.000 1.348 329 L HN 0.722 nan 8.230 nan 0.000 0.408 330 F N 4.177 124.096 119.950 -0.052 0.000 2.451 330 F HA 0.292 4.819 4.527 -0.000 0.000 0.367 330 F C 0.052 175.871 175.800 0.032 0.000 1.100 330 F CA -0.970 56.973 58.000 -0.096 0.000 1.171 330 F CB 1.683 40.542 39.000 -0.235 0.000 1.405 330 F HN 0.069 nan 8.300 nan 0.000 0.482 331 V N 2.455 122.579 119.914 0.349 0.000 2.439 331 V HA 0.078 4.197 4.120 -0.000 0.000 0.271 331 V C 0.236 176.555 176.094 0.375 0.000 1.040 331 V CA 0.087 62.608 62.300 0.367 0.000 1.002 331 V CB 0.773 32.820 31.823 0.373 0.000 1.000 331 V HN 0.573 nan 8.190 nan 0.000 0.477 332 T N 4.659 119.373 114.554 0.268 0.000 2.770 332 T HA 0.580 4.930 4.350 -0.000 0.000 0.297 332 T C -0.266 174.613 174.700 0.297 0.000 0.997 332 T CA -0.481 61.751 62.100 0.221 0.000 0.949 332 T CB 1.262 70.194 68.868 0.107 0.000 0.941 332 T HN 0.276 nan 8.240 nan 0.000 0.457 333 V N 3.461 123.570 119.914 0.325 0.000 2.630 333 V HA 0.634 4.754 4.120 -0.000 0.000 0.305 333 V C -0.279 175.912 176.094 0.162 0.000 1.046 333 V CA -0.755 61.722 62.300 0.295 0.000 0.934 333 V CB 2.165 34.209 31.823 0.369 0.000 1.003 333 V HN 0.697 nan 8.190 nan 0.000 0.451 334 V N 2.958 122.927 119.914 0.091 0.000 2.482 334 V HA 0.471 4.590 4.120 -0.000 0.000 0.295 334 V C -1.228 174.850 176.094 -0.026 0.000 1.026 334 V CA -0.370 61.909 62.300 -0.035 0.000 0.856 334 V CB 1.845 33.590 31.823 -0.130 0.000 1.001 334 V HN 1.034 nan 8.190 nan 0.000 0.424 335 D N 2.457 122.817 120.400 -0.067 0.000 2.336 335 D HA 0.285 4.925 4.640 -0.000 0.000 0.248 335 D C 1.090 177.392 176.300 0.003 0.000 1.326 335 D CA 0.281 54.234 54.000 -0.078 0.000 0.973 335 D CB 1.871 42.433 40.800 -0.396 0.000 1.255 335 D HN 0.576 nan 8.370 nan 0.000 0.558 336 T N -0.347 114.237 114.554 0.050 0.000 2.904 336 T HA -0.165 4.184 4.350 -0.000 0.000 0.267 336 T C 1.779 176.515 174.700 0.061 0.000 1.059 336 T CA 1.607 63.745 62.100 0.062 0.000 1.137 336 T CB -0.522 68.390 68.868 0.074 0.000 0.879 336 T HN 0.349 nan 8.240 nan 0.000 0.467 337 T N 0.132 114.727 114.554 0.068 0.000 3.077 337 T HA 0.048 4.398 4.350 -0.000 0.000 0.269 337 T C 1.031 175.760 174.700 0.047 0.000 1.146 337 T CA 0.438 62.575 62.100 0.063 0.000 1.091 337 T CB -0.432 68.490 68.868 0.090 0.000 0.892 337 T HN 0.502 nan 8.240 nan 0.000 0.533 338 R N 0.726 121.255 120.500 0.048 0.000 2.638 338 R HA 0.303 4.643 4.340 -0.000 0.000 0.261 338 R C 0.742 177.122 176.300 0.134 0.000 1.515 338 R CA 0.074 56.209 56.100 0.058 0.000 1.623 338 R CB 0.847 31.163 30.300 0.027 0.000 1.347 338 R HN 0.394 nan 8.270 nan 0.000 0.705 339 S N -1.906 113.831 115.700 0.061 0.000 2.523 339 S HA 0.007 4.477 4.470 -0.000 0.000 0.217 339 S C 0.780 175.205 174.600 -0.292 0.000 0.996 339 S CA -0.280 57.888 58.200 -0.053 0.000 0.921 339 S CB 0.404 63.591 63.200 -0.021 0.000 0.829 339 S HN 0.157 nan 8.310 nan 0.000 0.495 340 T N 5.022 119.497 114.554 -0.132 0.000 2.609 340 T HA 0.047 4.397 4.350 -0.000 0.000 0.257 340 T C -0.318 174.248 174.700 -0.224 0.000 1.032 340 T CA 0.320 62.337 62.100 -0.139 0.000 1.244 340 T CB -0.955 67.893 68.868 -0.033 0.000 1.003 340 T HN 0.664 nan 8.240 nan 0.000 0.507 341 N N 3.674 122.205 118.700 -0.282 0.000 2.419 341 N HA 0.485 5.225 4.740 -0.000 0.000 0.277 341 N C 0.023 175.490 175.510 -0.072 0.000 1.006 341 N CA -0.911 51.996 53.050 -0.239 0.000 0.923 341 N CB 0.805 39.106 38.487 -0.310 0.000 1.140 341 N HN 0.582 nan 8.380 nan 0.000 0.488 342 M N -0.511 119.086 119.600 -0.006 0.000 2.367 342 M HA 0.548 5.028 4.480 -0.000 0.000 0.339 342 M C -0.724 175.596 176.300 0.033 0.000 1.177 342 M CA -0.730 54.581 55.300 0.018 0.000 1.068 342 M CB 1.341 33.963 32.600 0.035 0.000 1.602 342 M HN 0.453 nan 8.290 nan 0.000 0.457 343 S N 4.130 119.856 115.700 0.043 0.000 2.489 343 S HA 0.799 5.269 4.470 -0.000 0.000 0.291 343 S C -0.368 174.286 174.600 0.089 0.000 1.151 343 S CA -1.053 57.192 58.200 0.074 0.000 1.082 343 S CB 1.014 64.255 63.200 0.069 0.000 1.019 343 S HN 0.761 nan 8.310 nan 0.000 0.492 344 L N 0.117 121.422 121.223 0.136 0.000 2.333 344 L HA 0.955 5.294 4.340 -0.000 0.000 0.269 344 L C -0.542 176.478 176.870 0.251 0.000 1.010 344 L CA -1.089 53.840 54.840 0.149 0.000 0.818 344 L CB 1.537 43.661 42.059 0.109 0.000 1.306 344 L HN 0.922 nan 8.230 nan 0.000 0.430 345 C N 0.833 120.267 119.300 0.224 0.000 2.516 345 C HA 0.936 5.396 4.460 -0.000 0.000 0.338 345 C C -0.005 175.161 174.990 0.294 0.000 1.132 345 C CA -0.286 58.898 59.018 0.276 0.000 1.310 345 C CB 0.443 28.293 27.740 0.184 0.000 1.898 345 C HN 1.170 nan 8.230 nan 0.000 0.452 346 A N 3.773 126.791 122.820 0.330 0.000 2.303 346 A HA 0.887 5.207 4.320 -0.000 0.000 0.320 346 A C 0.416 178.136 177.584 0.227 0.000 1.192 346 A CA 0.219 52.402 52.037 0.242 0.000 0.821 346 A CB 0.835 19.946 19.000 0.184 0.000 1.188 346 A HN 2.298 nan 8.150 nan 0.000 0.492 347 A N 1.543 124.442 122.820 0.131 0.000 2.406 347 A HA 0.440 4.760 4.320 -0.000 0.000 0.243 347 A C 0.846 178.343 177.584 -0.146 0.000 1.082 347 A CA -0.122 51.793 52.037 -0.203 0.000 0.786 347 A CB -0.010 18.742 19.000 -0.414 0.000 1.029 347 A HN 1.242 nan 8.150 nan 0.000 0.495 348 I N 0.314 120.737 120.570 -0.245 0.000 3.419 348 I HA 0.093 4.263 4.170 -0.000 0.000 0.286 348 I C 0.507 176.537 176.117 -0.145 0.000 1.268 348 I CA 1.400 62.611 61.300 -0.147 0.000 1.414 348 I CB -0.226 37.682 38.000 -0.154 0.000 1.074 348 I HN 0.830 nan 8.210 nan 0.000 0.457 349 S N -2.337 113.243 115.700 -0.200 0.000 2.720 349 S HA 0.035 4.505 4.470 -0.000 0.000 0.318 349 S C 0.410 174.912 174.600 -0.163 0.000 0.872 349 S CA -0.213 57.901 58.200 -0.144 0.000 0.794 349 S CB -0.689 62.441 63.200 -0.116 0.000 1.009 349 S HN 0.180 nan 8.310 nan 0.000 0.491 350 T N 0.217 114.713 114.554 -0.096 0.000 3.160 350 T HA 0.109 4.459 4.350 -0.000 0.000 0.257 350 T C 1.653 176.325 174.700 -0.047 0.000 1.147 350 T CA 0.973 63.037 62.100 -0.061 0.000 1.064 350 T CB -0.468 68.387 68.868 -0.023 0.000 0.949 350 T HN 0.585 nan 8.240 nan 0.000 0.526 351 S N 1.580 117.245 115.700 -0.059 0.000 2.398 351 S HA -0.086 4.384 4.470 -0.000 0.000 0.220 351 S C 0.825 175.406 174.600 -0.032 0.000 1.038 351 S CA 0.986 59.161 58.200 -0.041 0.000 1.080 351 S CB -0.516 62.656 63.200 -0.047 0.000 1.039 351 S HN 0.600 nan 8.310 nan 0.000 0.419 352 E N 1.015 121.185 120.200 -0.051 0.000 2.680 352 E HA -0.072 4.278 4.350 -0.000 0.000 0.278 352 E C 0.800 177.405 176.600 0.009 0.000 1.018 352 E CA 1.036 57.419 56.400 -0.029 0.000 0.991 352 E CB 0.144 29.810 29.700 -0.057 0.000 1.006 352 E HN 0.542 nan 8.360 nan 0.000 0.464 353 T N -2.154 112.416 114.554 0.026 0.000 3.145 353 T HA 0.241 4.591 4.350 -0.000 0.000 0.281 353 T C -0.075 174.665 174.700 0.067 0.000 1.003 353 T CA -0.078 62.050 62.100 0.046 0.000 0.901 353 T CB -0.127 68.760 68.868 0.033 0.000 1.112 353 T HN 0.458 nan 8.240 nan 0.000 0.535 354 T N -0.725 113.875 114.554 0.077 0.000 2.894 354 T HA 0.581 4.931 4.350 -0.000 0.000 0.309 354 T C -1.167 173.615 174.700 0.137 0.000 1.208 354 T CA -1.004 61.159 62.100 0.106 0.000 1.016 354 T CB 1.774 70.689 68.868 0.078 0.000 1.192 354 T HN 0.198 nan 8.240 nan 0.000 0.491 355 Y N 1.623 121.984 120.300 0.101 0.000 2.336 355 Y HA 0.603 5.153 4.550 -0.000 0.000 0.331 355 Y C -0.120 175.873 175.900 0.156 0.000 1.211 355 Y CA -0.145 58.050 58.100 0.157 0.000 1.346 355 Y CB 0.788 39.291 38.460 0.072 0.000 1.271 355 Y HN 0.661 nan 8.280 nan 0.000 0.538 356 K N 5.306 125.374 120.400 -0.553 0.000 2.656 356 K HA 0.078 4.398 4.320 -0.000 0.000 0.253 356 K C -0.107 176.307 176.600 -0.309 0.000 1.002 356 K CA -0.633 55.506 56.287 -0.247 0.000 0.880 356 K CB 1.467 33.895 32.500 -0.120 0.000 1.232 356 K HN 0.772 nan 8.250 nan 0.000 0.456 357 N N 0.818 119.473 118.700 -0.074 0.000 2.122 357 N HA -0.198 4.542 4.740 -0.000 0.000 0.199 357 N C 1.012 176.549 175.510 0.044 0.000 1.007 357 N CA 2.346 55.434 53.050 0.063 0.000 0.892 357 N CB 0.056 38.626 38.487 0.138 0.000 1.050 357 N HN 0.632 nan 8.380 nan 0.000 0.468 358 T N -3.143 111.411 114.554 -0.001 0.000 3.287 358 T HA 0.212 4.562 4.350 -0.000 0.000 0.253 358 T C 0.567 175.224 174.700 -0.072 0.000 0.975 358 T CA -0.363 61.728 62.100 -0.015 0.000 0.912 358 T CB -0.214 68.644 68.868 -0.016 0.000 1.071 358 T HN 0.098 nan 8.240 nan 0.000 0.578 359 N N 0.725 119.353 118.700 -0.120 0.000 2.200 359 N HA 0.263 5.003 4.740 -0.000 0.000 0.224 359 N C -1.198 173.967 175.510 -0.575 0.000 1.179 359 N CA -0.890 51.956 53.050 -0.339 0.000 0.877 359 N CB 0.184 38.410 38.487 -0.435 0.000 1.072 359 N HN 0.422 nan 8.380 nan 0.000 0.519 360 F N 0.056 119.957 119.950 -0.081 0.000 2.651 360 F HA 0.344 4.871 4.527 -0.000 0.000 0.329 360 F C -0.173 175.616 175.800 -0.019 0.000 1.186 360 F CA -0.963 57.019 58.000 -0.030 0.000 1.046 360 F CB 1.526 40.510 39.000 -0.026 0.000 1.296 360 F HN -0.343 nan 8.300 nan 0.000 0.497 361 K N 2.343 122.849 120.400 0.177 0.000 2.205 361 K HA 0.377 4.697 4.320 -0.000 0.000 0.279 361 K C -0.522 176.079 176.600 0.003 0.000 1.027 361 K CA -0.619 55.676 56.287 0.013 0.000 0.932 361 K CB 0.934 33.441 32.500 0.011 0.000 1.032 361 K HN 0.399 nan 8.250 nan 0.000 0.466 362 E N 2.822 122.907 120.200 -0.192 0.000 2.145 362 E HA 0.249 4.599 4.350 -0.000 0.000 0.270 362 E C -1.274 175.168 176.600 -0.263 0.000 0.906 362 E CA -0.467 55.892 56.400 -0.068 0.000 0.761 362 E CB 1.099 30.784 29.700 -0.025 0.000 1.116 362 E HN 0.356 nan 8.360 nan 0.000 0.408 363 Y N 1.300 121.661 120.300 0.103 0.000 2.536 363 Y HA 0.499 5.049 4.550 -0.000 0.000 0.347 363 Y C 0.001 175.948 175.900 0.079 0.000 1.000 363 Y CA -0.932 57.239 58.100 0.118 0.000 1.051 363 Y CB 1.635 40.168 38.460 0.122 0.000 1.259 363 Y HN 0.232 nan 8.280 nan 0.000 0.468 364 L N 4.131 125.490 121.223 0.226 0.000 2.342 364 L HA 0.612 4.952 4.340 -0.000 0.000 0.276 364 L C -0.555 176.259 176.870 -0.093 0.000 0.997 364 L CA -0.723 54.132 54.840 0.025 0.000 0.838 364 L CB 1.076 43.091 42.059 -0.074 0.000 1.224 364 L HN 0.536 nan 8.230 nan 0.000 0.416 365 R N 1.414 121.909 120.500 -0.009 0.000 2.854 365 R HA 0.544 4.884 4.340 -0.000 0.000 0.271 365 R C -1.178 175.159 176.300 0.062 0.000 0.996 365 R CA -0.796 55.311 56.100 0.011 0.000 0.961 365 R CB 2.108 32.439 30.300 0.052 0.000 1.182 365 R HN 0.593 nan 8.270 nan 0.000 0.479 366 H N -0.446 118.591 119.070 -0.055 0.000 2.759 366 H HA 0.522 5.078 4.556 -0.000 0.000 0.354 366 H C -0.674 174.655 175.328 0.001 0.000 1.074 366 H CA -0.730 55.295 56.048 -0.037 0.000 1.226 366 H CB 1.865 31.584 29.762 -0.072 0.000 1.648 366 H HN 0.757 nan 8.280 nan 0.000 0.529 367 G N 2.615 111.426 108.800 0.018 0.000 2.437 367 G HA2 0.399 4.359 3.960 -0.000 0.000 0.319 367 G HA3 0.399 4.359 3.960 -0.000 0.000 0.319 367 G C -0.943 173.827 174.900 -0.217 0.000 1.158 367 G CA -0.484 44.574 45.100 -0.071 0.000 0.899 367 G HN 0.643 nan 8.290 nan 0.000 0.502 368 E N 0.368 120.526 120.200 -0.070 0.000 2.334 368 E HA 0.096 4.446 4.350 -0.000 0.000 0.280 368 E C -1.351 175.330 176.600 0.135 0.000 0.899 368 E CA -0.363 56.037 56.400 0.001 0.000 0.813 368 E CB 2.415 32.153 29.700 0.062 0.000 1.318 368 E HN 0.674 nan 8.360 nan 0.000 0.399 369 E N 3.711 123.933 120.200 0.037 0.000 2.081 369 E HA 0.287 4.637 4.350 -0.000 0.000 0.276 369 E C -1.151 175.454 176.600 0.007 0.000 0.950 369 E CA -0.313 56.126 56.400 0.066 0.000 0.776 369 E CB 0.711 30.424 29.700 0.022 0.000 1.094 369 E HN 0.332 nan 8.360 nan 0.000 0.402 370 Y N 2.185 122.484 120.300 -0.001 0.000 2.596 370 Y HA 0.396 4.946 4.550 -0.000 0.000 0.326 370 Y C -0.249 175.577 175.900 -0.123 0.000 1.167 370 Y CA -0.525 57.525 58.100 -0.083 0.000 1.246 370 Y CB 1.762 40.145 38.460 -0.128 0.000 1.347 370 Y HN 0.507 nan 8.280 nan 0.000 0.515 371 D N 0.761 121.161 120.400 -0.000 0.000 2.419 371 D HA 0.311 4.951 4.640 -0.000 0.000 0.219 371 D C -1.808 174.406 176.300 -0.143 0.000 1.349 371 D CA -0.233 53.723 54.000 -0.075 0.000 0.964 371 D CB 0.627 41.393 40.800 -0.058 0.000 1.463 371 D HN 0.381 nan 8.370 nan 0.000 0.573 372 L N 2.462 123.578 121.223 -0.178 0.000 2.357 372 L HA 0.601 4.941 4.340 -0.000 0.000 0.273 372 L C 0.198 176.963 176.870 -0.175 0.000 1.080 372 L CA -0.831 53.901 54.840 -0.179 0.000 0.803 372 L CB 1.265 43.276 42.059 -0.079 0.000 1.174 372 L HN 0.321 nan 8.230 nan 0.000 0.443 373 Q N 2.301 121.820 119.800 -0.469 0.000 2.372 373 Q HA 0.642 4.982 4.340 -0.000 0.000 0.273 373 Q C -1.452 173.898 176.000 -1.084 0.000 1.078 373 Q CA -0.460 55.014 55.803 -0.548 0.000 0.806 373 Q CB 3.122 31.581 28.738 -0.466 0.000 1.332 373 Q HN 0.362 nan 8.270 nan 0.000 0.435 374 F N 1.133 120.700 119.950 -0.639 0.000 2.619 374 F HA 0.552 5.079 4.527 -0.000 0.000 0.308 374 F C -0.513 174.821 175.800 -0.777 0.000 1.097 374 F CA -0.838 56.730 58.000 -0.721 0.000 0.953 374 F CB 1.665 40.363 39.000 -0.504 0.000 1.287 374 F HN 0.263 nan 8.300 nan 0.000 0.446 375 I N 3.216 123.367 120.570 -0.699 0.000 2.512 375 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 375 I C -1.436 174.380 176.117 -0.502 0.000 1.069 375 I CA -0.675 60.330 61.300 -0.491 0.000 1.056 375 I CB 1.626 39.217 38.000 -0.683 0.000 1.229 375 I HN 0.386 nan 8.210 nan 0.000 0.429 376 F N 3.737 123.642 119.950 -0.075 0.000 2.547 376 F HA 0.412 4.939 4.527 -0.000 0.000 0.316 376 F C 0.371 176.467 175.800 0.494 0.000 1.121 376 F CA -0.642 57.430 58.000 0.121 0.000 0.911 376 F CB 1.871 40.874 39.000 0.005 0.000 1.179 376 F HN 0.380 nan 8.300 nan 0.000 0.443 377 Q N 3.580 123.766 119.800 0.642 0.000 2.278 377 Q HA 0.450 4.790 4.340 -0.000 0.000 0.257 377 Q C -1.023 175.145 176.000 0.280 0.000 0.928 377 Q CA -1.081 54.994 55.803 0.455 0.000 0.932 377 Q CB 1.582 30.547 28.738 0.378 0.000 1.221 377 Q HN 0.782 nan 8.270 nan 0.000 0.434 378 L N 4.589 125.838 121.223 0.044 0.000 2.462 378 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 378 L C -1.150 175.527 176.870 -0.321 0.000 1.166 378 L CA 0.441 55.047 54.840 -0.390 0.000 0.880 378 L CB 0.295 42.005 42.059 -0.580 0.000 1.142 378 L HN 0.813 nan 8.230 nan 0.000 0.473 379 C N 3.799 122.933 119.300 -0.277 0.000 2.967 379 C HA 0.859 5.319 4.460 -0.000 0.000 0.372 379 C C -0.469 174.449 174.990 -0.120 0.000 1.455 379 C CA -0.976 57.950 59.018 -0.153 0.000 1.638 379 C CB 2.037 29.742 27.740 -0.059 0.000 2.096 379 C HN 0.926 nan 8.230 nan 0.000 0.466 380 K N 0.069 120.466 120.400 -0.006 0.000 2.546 380 K HA 0.787 5.107 4.320 -0.000 0.000 0.264 380 K C -1.896 174.772 176.600 0.115 0.000 0.937 380 K CA -0.425 55.911 56.287 0.081 0.000 0.833 380 K CB 1.350 33.937 32.500 0.145 0.000 1.378 380 K HN 0.562 nan 8.250 nan 0.000 0.432 381 I N 2.257 122.897 120.570 0.117 0.000 2.595 381 I HA 0.071 4.241 4.170 -0.000 0.000 0.276 381 I C -0.351 175.794 176.117 0.046 0.000 1.109 381 I CA -0.584 60.805 61.300 0.148 0.000 1.084 381 I CB 2.148 40.316 38.000 0.280 0.000 1.206 381 I HN 0.833 nan 8.210 nan 0.000 0.486 382 T N 4.156 118.740 114.554 0.050 0.000 2.831 382 T HA 0.235 4.585 4.350 -0.000 0.000 0.291 382 T C -0.172 174.534 174.700 0.009 0.000 0.981 382 T CA -0.282 61.819 62.100 0.003 0.000 1.174 382 T CB 0.222 69.096 68.868 0.010 0.000 0.929 382 T HN 0.198 nan 8.240 nan 0.000 0.532 383 L N 5.528 126.730 121.223 -0.036 0.000 2.312 383 L HA 0.339 4.679 4.340 -0.000 0.000 0.287 383 L C 1.360 178.235 176.870 0.007 0.000 1.091 383 L CA 0.058 54.891 54.840 -0.013 0.000 0.846 383 L CB 0.221 42.252 42.059 -0.047 0.000 1.219 383 L HN 1.070 nan 8.230 nan 0.000 0.439 384 T N -0.146 114.427 114.554 0.032 0.000 2.946 384 T HA 0.689 5.039 4.350 -0.000 0.000 0.295 384 T C 1.197 175.913 174.700 0.027 0.000 1.143 384 T CA 0.103 62.218 62.100 0.025 0.000 0.944 384 T CB 0.896 69.782 68.868 0.031 0.000 1.800 384 T HN 0.362 nan 8.240 nan 0.000 0.590 385 A N 0.701 123.534 122.820 0.021 0.000 1.843 385 A HA 0.122 4.442 4.320 -0.000 0.000 0.213 385 A C 1.976 179.575 177.584 0.025 0.000 1.239 385 A CA 1.237 53.283 52.037 0.016 0.000 0.606 385 A CB -1.131 17.875 19.000 0.009 0.000 0.903 385 A HN 0.834 nan 8.150 nan 0.000 0.455 386 D N -0.101 120.314 120.400 0.025 0.000 2.264 386 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 386 D C 1.898 178.217 176.300 0.031 0.000 0.966 386 D CA 0.954 54.970 54.000 0.028 0.000 0.864 386 D CB -0.332 40.476 40.800 0.012 0.000 0.933 386 D HN 0.202 nan 8.370 nan 0.000 0.499 387 V N 0.886 120.823 119.914 0.038 0.000 2.273 387 V HA -0.167 3.953 4.120 -0.000 0.000 0.242 387 V C 2.451 178.591 176.094 0.077 0.000 1.035 387 V CA 1.303 63.631 62.300 0.047 0.000 1.013 387 V CB -0.419 31.464 31.823 0.099 0.000 0.652 387 V HN 0.144 nan 8.190 nan 0.000 0.452 388 M N 0.667 120.314 119.600 0.078 0.000 2.202 388 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 388 M C 2.208 178.570 176.300 0.103 0.000 1.063 388 M CA 2.330 57.690 55.300 0.100 0.000 1.097 388 M CB -0.322 32.319 32.600 0.069 0.000 1.382 388 M HN 0.681 nan 8.290 nan 0.000 0.413 389 T N -2.066 112.534 114.554 0.077 0.000 2.812 389 T HA -0.168 4.182 4.350 -0.000 0.000 0.264 389 T C 1.567 176.342 174.700 0.125 0.000 1.042 389 T CA 0.988 63.132 62.100 0.074 0.000 1.140 389 T CB -0.859 68.040 68.868 0.051 0.000 0.870 389 T HN 0.438 nan 8.240 nan 0.000 0.445 390 Y N 2.437 122.715 120.300 -0.038 0.000 2.026 390 Y HA -0.012 4.538 4.550 -0.000 0.000 0.253 390 Y C 2.225 178.063 175.900 -0.104 0.000 1.098 390 Y CA 0.911 58.961 58.100 -0.084 0.000 1.074 390 Y CB -0.831 37.472 38.460 -0.261 0.000 0.971 390 Y HN 0.121 nan 8.280 nan 0.000 0.482 391 I N 0.290 120.830 120.570 -0.051 0.000 2.830 391 I HA -0.404 3.766 4.170 -0.000 0.000 0.271 391 I C 2.278 178.281 176.117 -0.189 0.000 1.231 391 I CA 1.652 62.842 61.300 -0.182 0.000 1.444 391 I CB -0.548 37.468 38.000 0.026 0.000 1.122 391 I HN 0.508 nan 8.210 nan 0.000 0.477 392 H N -0.007 118.964 119.070 -0.164 0.000 2.393 392 H HA 0.093 4.649 4.556 -0.000 0.000 0.307 392 H C 2.158 177.373 175.328 -0.189 0.000 1.038 392 H CA 1.001 56.966 56.048 -0.139 0.000 1.351 392 H CB 0.408 30.136 29.762 -0.057 0.000 1.464 392 H HN 0.123 nan 8.280 nan 0.000 0.575 393 S N 0.896 116.568 115.700 -0.047 0.000 2.603 393 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 393 S C 1.952 176.401 174.600 -0.251 0.000 0.972 393 S CA 0.644 58.801 58.200 -0.071 0.000 0.935 393 S CB 0.053 63.263 63.200 0.017 0.000 0.769 393 S HN 0.472 nan 8.310 nan 0.000 0.536 394 M N 1.031 120.347 119.600 -0.474 0.000 2.508 394 M HA 0.196 4.676 4.480 -0.000 0.000 0.238 394 M C 0.077 175.950 176.300 -0.711 0.000 1.210 394 M CA 1.107 55.877 55.300 -0.884 0.000 1.231 394 M CB 0.319 32.317 32.600 -1.003 0.000 1.201 394 M HN 0.068 nan 8.290 nan 0.000 0.491 395 N N 0.402 118.725 118.700 -0.629 0.000 2.549 395 N HA 0.161 4.901 4.740 -0.000 0.000 0.281 395 N C 0.443 175.671 175.510 -0.471 0.000 1.084 395 N CA -0.031 52.705 53.050 -0.524 0.000 0.862 395 N CB 1.301 39.452 38.487 -0.559 0.000 1.333 395 N HN 0.406 nan 8.380 nan 0.000 0.523 396 S N 1.609 117.047 115.700 -0.437 0.000 2.365 396 S HA -0.282 4.188 4.470 -0.000 0.000 0.221 396 S C 2.198 176.635 174.600 -0.271 0.000 1.037 396 S CA 2.261 60.199 58.200 -0.436 0.000 1.060 396 S CB -1.179 61.760 63.200 -0.436 0.000 0.974 396 S HN 0.762 nan 8.310 nan 0.000 0.427 397 T N 2.294 116.708 114.554 -0.233 0.000 2.668 397 T HA -0.259 4.090 4.350 -0.000 0.000 0.265 397 T C 1.780 176.329 174.700 -0.252 0.000 1.041 397 T CA 1.806 63.792 62.100 -0.190 0.000 1.160 397 T CB -1.203 67.562 68.868 -0.172 0.000 0.857 397 T HN 0.312 nan 8.240 nan 0.000 0.455 398 I N 2.400 122.736 120.570 -0.390 0.000 2.094 398 I HA -0.237 3.933 4.170 -0.000 0.000 0.236 398 I C 2.728 178.469 176.117 -0.627 0.000 1.016 398 I CA 1.511 62.400 61.300 -0.685 0.000 1.294 398 I CB -1.790 35.654 38.000 -0.927 0.000 1.006 398 I HN 0.364 nan 8.210 nan 0.000 0.397 399 L N 0.193 121.293 121.223 -0.205 0.000 1.963 399 L HA -0.266 4.074 4.340 -0.000 0.000 0.220 399 L C 2.639 179.633 176.870 0.206 0.000 1.076 399 L CA 1.946 56.948 54.840 0.271 0.000 0.772 399 L CB -0.941 41.239 42.059 0.203 0.000 0.892 399 L HN 0.346 nan 8.230 nan 0.000 0.435 400 E N 0.144 120.383 120.200 0.065 0.000 2.021 400 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 400 E C 1.854 178.497 176.600 0.073 0.000 1.015 400 E CA 1.610 58.048 56.400 0.063 0.000 0.824 400 E CB -0.536 29.170 29.700 0.010 0.000 0.762 400 E HN 0.484 nan 8.360 nan 0.000 0.454 401 D N 0.136 120.537 120.400 0.001 0.000 2.191 401 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 401 D C 0.341 176.716 176.300 0.126 0.000 1.003 401 D CA 0.806 54.812 54.000 0.011 0.000 0.867 401 D CB -0.228 40.518 40.800 -0.089 0.000 0.926 401 D HN 0.164 nan 8.370 nan 0.000 0.450 402 W N 1.925 123.263 121.300 0.064 0.000 2.251 402 W HA 0.182 4.842 4.660 -0.000 0.000 0.327 402 W C 0.991 177.554 176.519 0.072 0.000 1.361 402 W CA -0.041 57.355 57.345 0.085 0.000 1.234 402 W CB -0.094 29.424 29.460 0.097 0.000 1.212 402 W HN -0.058 nan 8.180 nan 0.000 0.557 439 D N 2.841 123.262 120.400 0.035 0.000 2.338 439 D HA 0.155 4.795 4.640 -0.000 0.000 0.255 439 D C -1.332 175.023 176.300 0.091 0.000 1.237 439 D CA -1.731 52.309 54.000 0.066 0.000 0.883 439 D CB 1.205 42.057 40.800 0.085 0.000 1.087 439 D HN 0.095 nan 8.370 nan 0.000 0.485 440 P HA -0.103 nan 4.420 nan 0.000 0.228 440 P C 0.427 177.891 177.300 0.273 0.000 1.151 440 P CA 0.771 63.953 63.100 0.138 0.000 0.770 440 P CB 0.220 31.979 31.700 0.098 0.000 0.786 441 L N -1.027 120.377 121.223 0.302 0.000 3.154 441 L HA 0.330 4.670 4.340 -0.000 0.000 0.266 441 L C 1.806 178.900 176.870 0.373 0.000 1.300 441 L CA -0.237 54.908 54.840 0.508 0.000 1.028 441 L CB 0.273 42.634 42.059 0.504 0.000 1.412 441 L HN -0.176 nan 8.230 nan 0.000 0.564 442 K N 1.278 121.798 120.400 0.200 0.000 2.242 442 K HA 0.023 4.343 4.320 -0.000 0.000 0.200 442 K C 1.732 178.304 176.600 -0.048 0.000 1.050 442 K CA 0.809 57.137 56.287 0.069 0.000 0.981 442 K CB 0.423 32.938 32.500 0.026 0.000 0.795 442 K HN 0.052 nan 8.250 nan 0.000 0.477 443 K N 0.121 120.419 120.400 -0.169 0.000 2.476 443 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 443 K C -0.498 175.621 176.600 -0.803 0.000 1.025 443 K CA 0.133 56.114 56.287 -0.509 0.000 1.138 443 K CB -0.088 32.055 32.500 -0.595 0.000 0.860 443 K HN 0.108 nan 8.250 nan 0.000 0.515 444 Y N -0.053 120.137 120.300 -0.184 0.000 2.634 444 Y HA 0.376 4.926 4.550 -0.000 0.000 0.340 444 Y C 0.053 175.537 175.900 -0.693 0.000 1.058 444 Y CA -1.097 56.733 58.100 -0.451 0.000 1.081 444 Y CB 2.018 40.158 38.460 -0.532 0.000 1.295 444 Y HN -0.258 nan 8.280 nan 0.000 0.487 445 T N 2.210 116.306 114.554 -0.763 0.000 2.841 445 T HA 0.655 5.005 4.350 -0.000 0.000 0.285 445 T C -1.223 172.959 174.700 -0.864 0.000 0.991 445 T CA -0.685 61.042 62.100 -0.622 0.000 0.966 445 T CB 0.252 68.942 68.868 -0.297 0.000 0.962 445 T HN 0.361 nan 8.240 nan 0.000 0.438 446 F N 0.313 120.278 119.950 0.024 0.000 2.640 446 F HA 0.545 5.072 4.527 -0.000 0.000 0.324 446 F C -0.474 175.382 175.800 0.094 0.000 1.077 446 F CA -1.573 56.425 58.000 -0.003 0.000 0.965 446 F CB 1.266 40.267 39.000 0.002 0.000 1.351 446 F HN 0.460 nan 8.300 nan 0.000 0.487 447 W N 3.681 125.022 121.300 0.069 0.000 2.485 447 W HA 0.205 4.865 4.660 -0.000 0.000 0.315 447 W C -0.523 176.091 176.519 0.159 0.000 1.304 447 W CA -0.457 56.894 57.345 0.010 0.000 1.345 447 W CB 0.197 29.526 29.460 -0.219 0.000 1.368 447 W HN 0.458 nan 8.180 nan 0.000 0.497 448 E N 4.246 124.788 120.200 0.571 0.000 2.289 448 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 448 E C -0.728 176.187 176.600 0.525 0.000 1.032 448 E CA -0.335 56.362 56.400 0.496 0.000 0.854 448 E CB 2.048 31.974 29.700 0.377 0.000 1.046 448 E HN 0.177 nan 8.360 nan 0.000 0.409 449 V N 3.928 124.069 119.914 0.378 0.000 2.531 449 V HA 0.243 4.363 4.120 -0.000 0.000 0.301 449 V C -0.005 176.218 176.094 0.216 0.000 1.034 449 V CA -1.017 61.420 62.300 0.228 0.000 0.865 449 V CB 1.889 33.736 31.823 0.040 0.000 0.995 449 V HN 0.527 nan 8.190 nan 0.000 0.424 450 N N 5.110 123.916 118.700 0.177 0.000 2.518 450 N HA 0.394 5.134 4.740 -0.000 0.000 0.254 450 N C -0.281 175.266 175.510 0.062 0.000 0.979 450 N CA -0.390 52.751 53.050 0.151 0.000 0.930 450 N CB 1.796 40.346 38.487 0.105 0.000 1.152 450 N HN 0.699 nan 8.380 nan 0.000 0.505 451 L N 3.215 124.448 121.223 0.016 0.000 2.700 451 L HA 0.209 4.549 4.340 -0.000 0.000 0.234 451 L C 1.884 178.758 176.870 0.007 0.000 1.156 451 L CA -0.044 54.805 54.840 0.016 0.000 0.946 451 L CB 0.246 42.284 42.059 -0.036 0.000 1.216 451 L HN 0.426 nan 8.230 nan 0.000 0.493 452 K N 0.617 120.967 120.400 -0.083 0.000 2.032 452 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 452 K C 0.762 177.305 176.600 -0.095 0.000 1.048 452 K CA 1.308 57.474 56.287 -0.200 0.000 0.927 452 K CB 0.093 32.514 32.500 -0.132 0.000 0.712 452 K HN 0.070 nan 8.250 nan 0.000 0.441 453 E N 0.386 120.592 120.200 0.010 0.000 2.304 453 E HA 0.027 4.377 4.350 -0.000 0.000 0.212 453 E C 0.163 176.833 176.600 0.116 0.000 1.185 453 E CA 0.188 56.630 56.400 0.070 0.000 1.326 453 E CB 0.437 30.175 29.700 0.063 0.000 1.283 453 E HN 0.098 nan 8.360 nan 0.000 0.440 454 K N -0.744 119.748 120.400 0.154 0.000 2.511 454 K HA 0.160 4.480 4.320 -0.000 0.000 0.209 454 K C 0.089 176.865 176.600 0.294 0.000 1.301 454 K CA -0.142 56.260 56.287 0.192 0.000 0.967 454 K CB 0.331 32.901 32.500 0.116 0.000 1.109 454 K HN 0.064 nan 8.250 nan 0.000 0.561 455 F N 2.313 122.233 119.950 -0.051 0.000 2.595 455 F HA 0.072 4.599 4.527 -0.000 0.000 0.359 455 F C 0.952 176.934 175.800 0.303 0.000 1.147 455 F CA 0.412 58.412 58.000 -0.001 0.000 1.341 455 F CB 0.515 39.284 39.000 -0.385 0.000 1.104 455 F HN -0.229 nan 8.300 nan 0.000 0.603 456 S N 1.045 117.154 115.700 0.681 0.000 2.566 456 S HA 0.635 5.105 4.470 -0.000 0.000 0.273 456 S C 0.296 175.075 174.600 0.297 0.000 1.157 456 S CA -0.154 58.412 58.200 0.610 0.000 0.938 456 S CB 1.276 64.847 63.200 0.617 0.000 1.087 456 S HN 0.790 nan 8.310 nan 0.000 0.474 457 A N 2.881 125.699 122.820 -0.003 0.000 1.841 457 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 457 A C 0.523 178.023 177.584 -0.140 0.000 1.195 457 A CA 1.462 53.133 52.037 -0.611 0.000 0.611 457 A CB -0.840 17.975 19.000 -0.308 0.000 0.835 457 A HN 0.892 nan 8.150 nan 0.000 0.443 458 D N 1.164 121.570 120.400 0.011 0.000 2.357 458 D HA 0.198 4.838 4.640 -0.000 0.000 0.265 458 D C 0.600 176.930 176.300 0.050 0.000 1.334 458 D CA -0.127 53.884 54.000 0.019 0.000 0.984 458 D CB -0.059 40.727 40.800 -0.023 0.000 1.077 458 D HN 0.431 nan 8.370 nan 0.000 0.514 459 L N 0.419 121.712 121.223 0.118 0.000 2.622 459 L HA -0.024 4.316 4.340 -0.000 0.000 0.233 459 L C 0.628 177.531 176.870 0.054 0.000 1.156 459 L CA 0.423 55.383 54.840 0.201 0.000 0.866 459 L CB -0.432 41.776 42.059 0.249 0.000 0.980 459 L HN 0.113 nan 8.230 nan 0.000 0.448 460 D N 0.067 120.452 120.400 -0.024 0.000 2.378 460 D HA -0.096 4.544 4.640 -0.000 0.000 0.227 460 D C 1.511 177.734 176.300 -0.128 0.000 1.012 460 D CA 0.656 54.622 54.000 -0.057 0.000 0.905 460 D CB 0.118 40.885 40.800 -0.055 0.000 0.895 460 D HN 0.340 nan 8.370 nan 0.000 0.532 461 Q N -0.657 118.987 119.800 -0.260 0.000 2.118 461 Q HA 0.228 4.568 4.340 -0.000 0.000 0.219 461 Q C -0.509 175.080 176.000 -0.684 0.000 0.794 461 Q CA -0.049 55.467 55.803 -0.478 0.000 1.035 461 Q CB 0.988 29.364 28.738 -0.603 0.000 1.177 461 Q HN 0.278 nan 8.270 nan 0.000 0.478 462 F N 0.558 120.422 119.950 -0.145 0.000 2.588 462 F HA 0.352 4.879 4.527 -0.000 0.000 0.310 462 F C -1.638 174.116 175.800 -0.077 0.000 1.082 462 F CA -2.210 55.666 58.000 -0.206 0.000 0.929 462 F CB 2.072 40.725 39.000 -0.578 0.000 1.254 462 F HN -0.240 nan 8.300 nan 0.000 0.455 463 P HA -0.135 nan 4.420 nan 0.000 0.213 463 P C 1.922 179.289 177.300 0.113 0.000 1.170 463 P CA 1.188 64.348 63.100 0.100 0.000 0.889 463 P CB 0.596 32.330 31.700 0.057 0.000 0.782 464 L N -0.592 120.702 121.223 0.118 0.000 2.079 464 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 464 L C 2.354 179.380 176.870 0.259 0.000 1.081 464 L CA 2.252 57.153 54.840 0.102 0.000 0.752 464 L CB -1.258 40.797 42.059 -0.006 0.000 0.896 464 L HN 0.022 nan 8.230 nan 0.000 0.433 465 G N -0.614 108.395 108.800 0.348 0.000 2.464 465 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.214 465 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.214 465 G C 1.456 176.499 174.900 0.239 0.000 1.218 465 G CA 0.710 46.023 45.100 0.354 0.000 0.794 465 G HN 0.312 nan 8.290 nan 0.000 0.542 466 R N 0.400 120.990 120.500 0.149 0.000 2.323 466 R HA -0.295 4.045 4.340 -0.000 0.000 0.259 466 R C 2.580 178.928 176.300 0.080 0.000 1.104 466 R CA 2.382 58.530 56.100 0.080 0.000 0.961 466 R CB -0.339 29.995 30.300 0.057 0.000 0.929 466 R HN 0.389 nan 8.270 nan 0.000 0.457 467 K N -0.815 119.680 120.400 0.158 0.000 1.991 467 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 467 K C 1.885 178.641 176.600 0.259 0.000 1.038 467 K CA 1.039 57.457 56.287 0.219 0.000 0.943 467 K CB -0.493 32.184 32.500 0.295 0.000 0.736 467 K HN -0.013 nan 8.250 nan 0.000 0.440 468 F N 2.265 122.371 119.950 0.260 0.000 2.094 468 F HA -0.311 4.216 4.527 -0.000 0.000 0.296 468 F C 1.921 177.500 175.800 -0.369 0.000 1.070 468 F CA 1.538 59.375 58.000 -0.272 0.000 1.255 468 F CB -0.560 38.369 39.000 -0.118 0.000 1.000 468 F HN -0.018 nan 8.300 nan 0.000 0.490 469 L N -0.485 120.524 121.223 -0.358 0.000 2.131 469 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 469 L C 2.173 178.834 176.870 -0.348 0.000 1.087 469 L CA 1.156 55.718 54.840 -0.464 0.000 0.767 469 L CB -0.583 41.355 42.059 -0.202 0.000 0.917 469 L HN 0.215 nan 8.230 nan 0.000 0.441 470 L N -0.813 120.289 121.223 -0.202 0.000 2.633 470 L HA -0.117 4.223 4.340 -0.000 0.000 0.235 470 L C 1.865 178.600 176.870 -0.225 0.000 1.163 470 L CA 0.410 55.149 54.840 -0.169 0.000 0.859 470 L CB -0.135 41.879 42.059 -0.074 0.000 0.973 470 L HN 0.502 nan 8.230 nan 0.000 0.451 471 Q N -0.351 119.220 119.800 -0.382 0.000 2.362 471 Q HA 0.214 4.554 4.340 -0.000 0.000 0.190 471 Q C 0.639 176.343 176.000 -0.493 0.000 0.763 471 Q CA -0.172 55.374 55.803 -0.427 0.000 0.681 471 Q CB 0.193 28.579 28.738 -0.586 0.000 2.020 471 Q HN 0.138 nan 8.270 nan 0.000 0.483 472 L N 0.000 120.827 121.223 -0.661 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.548 54.840 -0.487 0.000 0.813 472 L CB 0.000 41.764 42.059 -0.492 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502