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 1r51_1_A DATA FIRST_RESID 2 DATA SEQUENCE AVKAARYGKD NVRVYKVHKD EKTGVQTVYE MTVCVLLEGE IETSYTKADN DATA SEQUENCE SVIVATDSIK NTIYITAKQN PVTPPELFGS ILGTHFIEKY NHIHAAHVNI DATA SEQUENCE VCHRWTRMDI DGKPHPHSFI RDSEEKRNVQ VDVVEGKGID IKSSLSGLTV DATA SEQUENCE LKSTNSQFWG FLRDEYTTLK ETWDRILSTD VDATWQWKNF SGLQEVRSHV DATA SEQUENCE PKFDATWATA REVTLKTFAE DNSASVQATM YKMAEQILAR QQLIETVEYS DATA SEQUENCE LPNKHYFEID LSWHKGLQNT GKNAEVFAPQ SDPNGLIKCT VGRSS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.558 177.584 -0.043 0.000 1.274 2 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 V N 2.765 122.645 119.914 -0.058 0.000 2.470 3 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 3 V C 1.061 177.104 176.094 -0.085 0.000 1.040 3 V CA 0.394 62.629 62.300 -0.108 0.000 1.008 3 V CB 0.820 32.544 31.823 -0.165 0.000 0.990 3 V HN 0.917 nan 8.190 nan 0.000 0.477 4 K N 3.430 123.779 120.400 -0.086 0.000 2.334 4 K HA 0.501 4.821 4.320 -0.000 0.000 0.195 4 K C 0.449 177.010 176.600 -0.064 0.000 1.045 4 K CA 0.739 56.989 56.287 -0.061 0.000 1.004 4 K CB 0.786 33.257 32.500 -0.048 0.000 0.837 4 K HN 0.734 nan 8.250 nan 0.000 0.510 5 A N 0.676 123.438 122.820 -0.097 0.000 2.605 5 A HA 0.746 5.066 4.320 -0.000 0.000 0.294 5 A C -1.861 175.639 177.584 -0.141 0.000 1.062 5 A CA -0.517 51.471 52.037 -0.083 0.000 0.682 5 A CB 1.742 20.708 19.000 -0.056 0.000 1.278 5 A HN 0.057 nan 8.150 nan 0.000 0.410 6 A N 1.176 123.941 122.820 -0.091 0.000 2.555 6 A HA 0.859 5.179 4.320 -0.000 0.000 0.297 6 A C -0.723 176.899 177.584 0.064 0.000 1.060 6 A CA -0.214 51.761 52.037 -0.104 0.000 0.710 6 A CB 1.187 19.988 19.000 -0.331 0.000 1.282 6 A HN 1.910 nan 8.150 nan 0.000 0.399 7 R N 0.443 121.026 120.500 0.138 0.000 2.710 7 R HA 0.861 5.201 4.340 -0.000 0.000 0.270 7 R C -1.415 175.054 176.300 0.281 0.000 1.021 7 R CA -0.830 55.381 56.100 0.185 0.000 0.889 7 R CB 1.430 31.783 30.300 0.089 0.000 1.243 7 R HN 1.583 nan 8.270 nan 0.000 0.464 8 Y N -1.371 118.943 120.300 0.023 0.000 2.624 8 Y HA 0.817 5.367 4.550 -0.000 0.000 0.334 8 Y C -0.706 175.157 175.900 -0.061 0.000 1.155 8 Y CA -0.171 57.929 58.100 0.000 0.000 1.046 8 Y CB 1.410 39.882 38.460 0.020 0.000 1.316 8 Y HN 1.105 nan 8.280 nan 0.000 0.457 9 G N 1.869 110.458 108.800 -0.351 0.000 2.441 9 G HA2 0.413 4.373 3.960 -0.000 0.000 0.225 9 G HA3 0.413 4.373 3.960 -0.000 0.000 0.225 9 G C -2.127 172.658 174.900 -0.192 0.000 1.200 9 G CA -1.073 43.754 45.100 -0.455 0.000 0.947 9 G HN 0.604 nan 8.290 nan 0.000 0.484 10 K N 0.501 120.790 120.400 -0.184 0.000 2.345 10 K HA 0.639 4.958 4.320 -0.000 0.000 0.255 10 K C -1.605 174.948 176.600 -0.079 0.000 0.934 10 K CA -0.636 55.590 56.287 -0.102 0.000 0.801 10 K CB 1.904 34.345 32.500 -0.099 0.000 1.137 10 K HN 0.488 nan 8.250 nan 0.000 0.424 11 D N 1.594 121.969 120.400 -0.042 0.000 2.340 11 D HA 0.407 5.046 4.640 -0.000 0.000 0.243 11 D C -0.531 175.768 176.300 -0.002 0.000 0.988 11 D CA 0.135 54.120 54.000 -0.024 0.000 0.959 11 D CB 0.808 41.598 40.800 -0.016 0.000 1.226 11 D HN 0.630 nan 8.370 nan 0.000 0.509 12 N N 0.522 119.230 118.700 0.013 0.000 2.754 12 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 12 N C -0.870 174.670 175.510 0.051 0.000 1.093 12 N CA 0.333 53.405 53.050 0.036 0.000 0.699 12 N CB -1.309 37.197 38.487 0.031 0.000 1.016 12 N HN 0.140 nan 8.380 nan 0.000 0.552 13 V N 1.526 121.468 119.914 0.047 0.000 2.387 13 V HA 0.120 4.240 4.120 -0.000 0.000 0.260 13 V C 1.195 177.366 176.094 0.128 0.000 1.054 13 V CA -0.132 62.210 62.300 0.070 0.000 0.967 13 V CB 0.523 32.347 31.823 0.002 0.000 1.036 13 V HN 0.069 nan 8.190 nan 0.000 0.481 14 R N 3.688 124.284 120.500 0.160 0.000 2.340 14 R HA 0.641 4.981 4.340 -0.000 0.000 0.300 14 R C -0.986 175.457 176.300 0.237 0.000 1.069 14 R CA -0.401 55.806 56.100 0.179 0.000 0.984 14 R CB 1.422 31.802 30.300 0.132 0.000 1.003 14 R HN 0.511 nan 8.270 nan 0.000 0.459 15 V N 3.711 123.764 119.914 0.232 0.000 2.686 15 V HA 0.266 4.386 4.120 -0.000 0.000 0.306 15 V C -1.258 174.981 176.094 0.242 0.000 1.065 15 V CA -1.022 61.423 62.300 0.241 0.000 0.894 15 V CB 1.555 33.507 31.823 0.215 0.000 1.004 15 V HN 0.662 nan 8.190 nan 0.000 0.424 16 Y N 3.982 124.324 120.300 0.069 0.000 2.429 16 Y HA 0.773 5.323 4.550 -0.000 0.000 0.342 16 Y C -0.468 175.446 175.900 0.023 0.000 1.004 16 Y CA -1.015 57.117 58.100 0.055 0.000 1.075 16 Y CB 1.801 40.275 38.460 0.024 0.000 1.214 16 Y HN 0.671 nan 8.280 nan 0.000 0.455 17 K N 5.361 125.565 120.400 -0.326 0.000 2.427 17 K HA 0.679 4.999 4.320 -0.000 0.000 0.252 17 K C -2.267 174.058 176.600 -0.457 0.000 0.931 17 K CA -0.938 55.194 56.287 -0.257 0.000 0.793 17 K CB 2.157 34.583 32.500 -0.123 0.000 1.211 17 K HN 0.634 nan 8.250 nan 0.000 0.426 18 V N 4.200 123.956 119.914 -0.264 0.000 2.581 18 V HA 0.413 4.532 4.120 -0.000 0.000 0.303 18 V C -1.214 174.904 176.094 0.040 0.000 1.041 18 V CA -0.399 61.803 62.300 -0.164 0.000 0.907 18 V CB 1.522 33.308 31.823 -0.061 0.000 0.994 18 V HN 0.917 nan 8.190 nan 0.000 0.442 19 H N 6.445 125.513 119.070 -0.003 0.000 2.481 19 H HA 0.520 5.076 4.556 -0.000 0.000 0.333 19 H C -1.154 174.194 175.328 0.035 0.000 1.066 19 H CA -0.802 55.270 56.048 0.040 0.000 1.209 19 H CB 1.561 31.387 29.762 0.108 0.000 1.445 19 H HN 0.677 nan 8.280 nan 0.000 0.488 20 K N 4.368 124.434 120.400 -0.556 0.000 2.483 20 K HA 0.085 4.405 4.320 -0.000 0.000 0.256 20 K C -0.809 175.521 176.600 -0.450 0.000 0.961 20 K CA -0.872 55.200 56.287 -0.359 0.000 0.873 20 K CB 1.875 34.276 32.500 -0.164 0.000 1.107 20 K HN 0.517 nan 8.250 nan 0.000 0.432 21 D N 4.082 124.310 120.400 -0.287 0.000 2.383 21 D HA -0.004 4.636 4.640 -0.000 0.000 0.245 21 D C 0.534 176.795 176.300 -0.065 0.000 1.263 21 D CA 0.218 54.146 54.000 -0.120 0.000 0.936 21 D CB 0.635 41.448 40.800 0.021 0.000 1.053 21 D HN 0.484 nan 8.370 nan 0.000 0.507 22 E N 2.456 122.617 120.200 -0.065 0.000 2.219 22 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 22 E C 1.238 177.826 176.600 -0.020 0.000 0.998 22 E CA 1.204 57.581 56.400 -0.040 0.000 0.818 22 E CB 0.207 29.887 29.700 -0.033 0.000 0.741 22 E HN 0.455 nan 8.360 nan 0.000 0.477 23 K N 0.252 120.647 120.400 -0.009 0.000 2.044 23 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 23 K C 2.313 178.913 176.600 -0.001 0.000 1.049 23 K CA 1.715 58.001 56.287 -0.001 0.000 0.945 23 K CB -0.272 32.233 32.500 0.009 0.000 0.724 23 K HN 0.166 nan 8.250 nan 0.000 0.440 24 T N -3.348 111.207 114.554 0.003 0.000 3.022 24 T HA 0.255 4.605 4.350 -0.000 0.000 0.250 24 T C 1.553 176.251 174.700 -0.004 0.000 1.060 24 T CA 0.235 62.336 62.100 0.002 0.000 1.013 24 T CB 0.409 69.283 68.868 0.011 0.000 0.982 24 T HN 0.337 nan 8.240 nan 0.000 0.508 25 G N 1.083 109.880 108.800 -0.004 0.000 2.184 25 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 25 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 25 G C 0.097 175.009 174.900 0.019 0.000 0.975 25 G CA 0.090 45.191 45.100 0.001 0.000 0.642 25 G HN 0.713 nan 8.290 nan 0.000 0.536 26 V N 1.430 121.356 119.914 0.019 0.000 2.555 26 V HA 0.411 4.531 4.120 -0.000 0.000 0.286 26 V C 0.632 176.771 176.094 0.075 0.000 1.044 26 V CA 0.139 62.466 62.300 0.044 0.000 1.026 26 V CB 1.434 33.285 31.823 0.047 0.000 0.981 26 V HN 0.482 nan 8.190 nan 0.000 0.480 27 Q N 2.514 122.397 119.800 0.138 0.000 2.301 27 Q HA 0.658 4.998 4.340 -0.000 0.000 0.267 27 Q C -0.847 175.311 176.000 0.264 0.000 1.035 27 Q CA -0.667 55.235 55.803 0.165 0.000 0.856 27 Q CB 2.363 31.212 28.738 0.185 0.000 1.337 27 Q HN 0.747 nan 8.270 nan 0.000 0.450 28 T N 0.786 115.429 114.554 0.148 0.000 2.881 28 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 28 T C -0.618 173.844 174.700 -0.396 0.000 1.000 28 T CA -0.724 61.357 62.100 -0.032 0.000 0.978 28 T CB 1.378 70.250 68.868 0.008 0.000 0.997 28 T HN 0.474 nan 8.240 nan 0.000 0.443 29 V N 0.729 120.134 119.914 -0.848 0.000 2.815 29 V HA 0.855 4.975 4.120 -0.000 0.000 0.314 29 V C -1.820 173.652 176.094 -1.037 0.000 1.064 29 V CA -1.068 60.672 62.300 -0.933 0.000 0.952 29 V CB 1.371 32.579 31.823 -1.025 0.000 1.020 29 V HN 0.838 nan 8.190 nan 0.000 0.439 30 Y N 1.091 121.152 120.300 -0.398 0.000 2.373 30 Y HA 0.750 5.300 4.550 -0.000 0.000 0.336 30 Y C -0.040 175.797 175.900 -0.105 0.000 0.979 30 Y CA -0.504 57.475 58.100 -0.202 0.000 1.080 30 Y CB 2.038 40.361 38.460 -0.229 0.000 1.190 30 Y HN 0.893 nan 8.280 nan 0.000 0.446 31 E N 5.327 125.671 120.200 0.239 0.000 2.272 31 E HA 0.727 5.077 4.350 -0.000 0.000 0.269 31 E C -1.224 175.549 176.600 0.288 0.000 0.877 31 E CA -0.878 55.708 56.400 0.311 0.000 0.755 31 E CB 1.584 31.598 29.700 0.524 0.000 1.192 31 E HN 0.750 nan 8.360 nan 0.000 0.422 32 M N 0.770 120.531 119.600 0.269 0.000 2.683 32 M HA 0.599 5.079 4.480 -0.000 0.000 0.274 32 M C -1.465 174.982 176.300 0.245 0.000 1.272 32 M CA -0.735 54.680 55.300 0.191 0.000 0.833 32 M CB 2.297 34.928 32.600 0.051 0.000 1.708 32 M HN 0.270 nan 8.290 nan 0.000 0.463 33 T N 1.485 116.141 114.554 0.170 0.000 2.812 33 T HA 0.678 5.028 4.350 -0.000 0.000 0.282 33 T C -0.889 173.862 174.700 0.084 0.000 0.990 33 T CA -0.513 61.688 62.100 0.168 0.000 0.960 33 T CB 1.898 70.895 68.868 0.215 0.000 0.948 33 T HN 0.508 nan 8.240 nan 0.000 0.438 34 V N 2.108 122.072 119.914 0.082 0.000 2.555 34 V HA 0.643 4.763 4.120 -0.000 0.000 0.302 34 V C -0.257 175.846 176.094 0.015 0.000 1.038 34 V CA -0.869 61.465 62.300 0.056 0.000 0.887 34 V CB 1.811 33.691 31.823 0.095 0.000 0.991 34 V HN 1.084 nan 8.190 nan 0.000 0.434 35 C N 5.153 124.446 119.300 -0.012 0.000 2.441 35 C HA 0.869 5.329 4.460 -0.000 0.000 0.318 35 C C -0.718 174.228 174.990 -0.073 0.000 1.222 35 C CA -0.141 58.852 59.018 -0.042 0.000 1.474 35 C CB 0.824 28.542 27.740 -0.037 0.000 2.125 35 C HN 0.735 nan 8.230 nan 0.000 0.479 36 V N 7.364 127.202 119.914 -0.125 0.000 2.482 36 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 36 V C -0.511 175.422 176.094 -0.268 0.000 1.026 36 V CA -0.277 61.901 62.300 -0.203 0.000 0.856 36 V CB 1.522 33.176 31.823 -0.282 0.000 1.001 36 V HN 0.802 nan 8.190 nan 0.000 0.424 37 L N 5.798 126.894 121.223 -0.211 0.000 2.346 37 L HA 0.661 5.001 4.340 -0.000 0.000 0.276 37 L C -0.730 175.995 176.870 -0.241 0.000 1.006 37 L CA -0.557 54.150 54.840 -0.222 0.000 0.817 37 L CB 1.999 44.019 42.059 -0.066 0.000 1.272 37 L HN 0.395 nan 8.230 nan 0.000 0.421 38 L N 2.328 123.324 121.223 -0.378 0.000 2.331 38 L HA 0.575 4.915 4.340 -0.000 0.000 0.275 38 L C -0.302 176.524 176.870 -0.074 0.000 1.022 38 L CA -0.617 54.038 54.840 -0.308 0.000 0.812 38 L CB 1.899 43.680 42.059 -0.463 0.000 1.257 38 L HN 0.600 nan 8.230 nan 0.000 0.435 39 E N 0.490 120.669 120.200 -0.035 0.000 2.277 39 E HA 0.796 5.146 4.350 -0.000 0.000 0.266 39 E C -0.349 176.252 176.600 0.001 0.000 0.901 39 E CA -0.646 55.787 56.400 0.055 0.000 0.782 39 E CB 2.768 32.535 29.700 0.110 0.000 1.228 39 E HN 0.781 nan 8.360 nan 0.000 0.424 40 G N 0.866 109.689 108.800 0.039 0.000 2.392 40 G HA2 0.017 3.977 3.960 -0.000 0.000 0.260 40 G HA3 0.017 3.977 3.960 -0.000 0.000 0.260 40 G C -1.290 173.660 174.900 0.083 0.000 1.226 40 G CA -0.867 44.225 45.100 -0.013 0.000 0.913 40 G HN 0.433 nan 8.290 nan 0.000 0.483 41 E N 1.054 121.305 120.200 0.086 0.000 1.972 41 E HA 0.269 4.619 4.350 -0.000 0.000 0.292 41 E C 0.827 177.540 176.600 0.189 0.000 1.193 41 E CA 0.056 56.554 56.400 0.163 0.000 1.228 41 E CB -0.298 29.522 29.700 0.201 0.000 1.167 41 E HN 0.478 nan 8.360 nan 0.000 0.479 42 I N -2.411 118.256 120.570 0.160 0.000 4.147 42 I HA 0.210 4.380 4.170 -0.000 0.000 0.329 42 I C 0.839 177.068 176.117 0.186 0.000 1.424 42 I CA -0.315 61.078 61.300 0.156 0.000 1.127 42 I CB 0.504 38.592 38.000 0.146 0.000 1.128 42 I HN -0.070 nan 8.210 nan 0.000 0.417 43 E N 2.010 122.308 120.200 0.164 0.000 2.118 43 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 43 E C 2.191 178.900 176.600 0.181 0.000 0.992 43 E CA 2.381 58.887 56.400 0.177 0.000 0.804 43 E CB -0.467 29.275 29.700 0.071 0.000 0.741 43 E HN 0.709 nan 8.360 nan 0.000 0.458 44 T N -1.591 113.021 114.554 0.096 0.000 3.007 44 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 44 T C 1.902 176.613 174.700 0.018 0.000 1.107 44 T CA 1.001 63.133 62.100 0.053 0.000 1.118 44 T CB -0.394 68.485 68.868 0.020 0.000 0.889 44 T HN 0.209 nan 8.240 nan 0.000 0.506 45 S N 0.691 116.380 115.700 -0.018 0.000 2.402 45 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 45 S C 1.717 176.194 174.600 -0.205 0.000 1.021 45 S CA 0.501 58.600 58.200 -0.169 0.000 0.974 45 S CB -0.914 62.088 63.200 -0.331 0.000 0.800 45 S HN 0.633 nan 8.310 nan 0.000 0.484 46 Y N 2.738 122.999 120.300 -0.065 0.000 2.243 46 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 46 Y C 3.256 179.135 175.900 -0.034 0.000 1.124 46 Y CA 1.290 59.360 58.100 -0.049 0.000 1.159 46 Y CB -0.791 37.645 38.460 -0.040 0.000 1.008 46 Y HN 0.537 nan 8.280 nan 0.000 0.527 47 T N -3.664 110.971 114.554 0.134 0.000 3.040 47 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 47 T C 1.341 176.060 174.700 0.031 0.000 1.064 47 T CA 0.419 62.561 62.100 0.071 0.000 1.110 47 T CB 0.150 69.052 68.868 0.057 0.000 0.921 47 T HN -0.066 nan 8.240 nan 0.000 0.480 48 K N 0.884 121.294 120.400 0.017 0.000 2.402 48 K HA 0.628 4.948 4.320 -0.000 0.000 0.204 48 K C 0.920 177.509 176.600 -0.018 0.000 1.056 48 K CA 0.398 56.684 56.287 -0.001 0.000 1.069 48 K CB 0.626 33.125 32.500 -0.001 0.000 0.888 48 K HN 0.444 nan 8.250 nan 0.000 0.546 49 A N 2.304 125.104 122.820 -0.033 0.000 2.791 49 A HA -0.206 4.114 4.320 -0.000 0.000 0.292 49 A C -0.215 177.333 177.584 -0.061 0.000 1.487 49 A CA 1.065 53.068 52.037 -0.056 0.000 0.760 49 A CB -2.168 16.806 19.000 -0.043 0.000 1.031 49 A HN 0.332 nan 8.150 nan 0.000 0.503 50 D N -0.167 120.195 120.400 -0.063 0.000 2.428 50 D HA 0.450 5.090 4.640 -0.000 0.000 0.221 50 D C 0.831 177.078 176.300 -0.089 0.000 1.123 50 D CA -0.494 53.468 54.000 -0.062 0.000 0.869 50 D CB 0.184 40.958 40.800 -0.044 0.000 1.032 50 D HN 0.203 nan 8.370 nan 0.000 0.506 51 N N 1.481 120.127 118.700 -0.090 0.000 2.521 51 N HA -0.109 4.630 4.740 -0.000 0.000 0.188 51 N C 1.628 177.084 175.510 -0.091 0.000 1.146 51 N CA 0.347 53.332 53.050 -0.108 0.000 0.893 51 N CB 0.149 38.580 38.487 -0.094 0.000 0.975 51 N HN 0.513 nan 8.380 nan 0.000 0.451 52 S N -0.147 115.506 115.700 -0.079 0.000 2.419 52 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 52 S C 1.918 176.455 174.600 -0.106 0.000 1.016 52 S CA 1.144 59.298 58.200 -0.077 0.000 0.974 52 S CB -0.611 62.546 63.200 -0.073 0.000 0.786 52 S HN 0.157 nan 8.310 nan 0.000 0.492 53 V N -0.814 119.033 119.914 -0.112 0.000 3.461 53 V HA 0.418 4.538 4.120 -0.000 0.000 0.267 53 V C 0.744 176.868 176.094 0.049 0.000 1.186 53 V CA -0.013 62.219 62.300 -0.113 0.000 1.154 53 V CB -1.085 30.709 31.823 -0.049 0.000 0.802 53 V HN 0.495 nan 8.190 nan 0.000 0.474 54 I N 1.518 122.057 120.570 -0.052 0.000 2.352 54 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 54 I C -0.085 176.037 176.117 0.008 0.000 1.036 54 I CA -0.517 60.740 61.300 -0.071 0.000 1.336 54 I CB 1.526 39.395 38.000 -0.217 0.000 1.407 54 I HN -0.070 nan 8.210 nan 0.000 0.497 55 V N 7.190 127.141 119.914 0.063 0.000 2.421 55 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 55 V C 0.987 177.138 176.094 0.096 0.000 1.031 55 V CA -0.420 61.867 62.300 -0.023 0.000 1.032 55 V CB 0.555 32.231 31.823 -0.246 0.000 1.009 55 V HN 0.867 nan 8.190 nan 0.000 0.477 56 A N 4.455 127.312 122.820 0.063 0.000 2.483 56 A HA 0.282 4.602 4.320 -0.000 0.000 0.238 56 A C 1.681 179.313 177.584 0.081 0.000 1.070 56 A CA 0.446 52.530 52.037 0.077 0.000 0.770 56 A CB 0.167 19.193 19.000 0.044 0.000 1.008 56 A HN 1.089 nan 8.150 nan 0.000 0.497 57 T N -0.752 113.857 114.554 0.091 0.000 2.833 57 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 57 T C 1.228 175.931 174.700 0.005 0.000 1.054 57 T CA 1.910 64.023 62.100 0.023 0.000 1.135 57 T CB -0.471 68.413 68.868 0.027 0.000 0.869 57 T HN 0.730 nan 8.240 nan 0.000 0.466 58 D N 1.340 121.756 120.400 0.026 0.000 2.149 58 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 58 D C 2.157 178.478 176.300 0.034 0.000 0.990 58 D CA 1.357 55.373 54.000 0.027 0.000 0.839 58 D CB -0.269 40.553 40.800 0.037 0.000 0.948 58 D HN 0.452 nan 8.370 nan 0.000 0.460 59 S N -0.567 115.165 115.700 0.052 0.000 2.402 59 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 59 S C 2.025 176.688 174.600 0.105 0.000 1.021 59 S CA 0.471 58.720 58.200 0.083 0.000 0.974 59 S CB -0.187 63.077 63.200 0.107 0.000 0.800 59 S HN 0.359 nan 8.310 nan 0.000 0.484 60 I N 1.628 122.243 120.570 0.075 0.000 2.252 60 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 60 I C 2.548 178.675 176.117 0.016 0.000 1.102 60 I CA 1.122 62.484 61.300 0.103 0.000 1.385 60 I CB -0.272 37.666 38.000 -0.104 0.000 1.064 60 I HN 0.249 nan 8.210 nan 0.000 0.414 61 K N 1.231 121.588 120.400 -0.072 0.000 2.032 61 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 61 K C 1.938 178.321 176.600 -0.362 0.000 1.048 61 K CA 1.880 58.031 56.287 -0.227 0.000 0.927 61 K CB -0.093 32.319 32.500 -0.146 0.000 0.712 61 K HN 0.247 nan 8.250 nan 0.000 0.441 62 N N 0.345 118.976 118.700 -0.115 0.000 2.094 62 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 62 N C 1.691 177.186 175.510 -0.025 0.000 1.023 62 N CA 1.919 54.968 53.050 -0.003 0.000 0.857 62 N CB -0.811 37.721 38.487 0.076 0.000 1.013 62 N HN 0.277 nan 8.380 nan 0.000 0.426 63 T N 1.497 116.036 114.554 -0.025 0.000 2.833 63 T HA 0.032 4.382 4.350 -0.000 0.000 0.269 63 T C 2.081 176.722 174.700 -0.098 0.000 1.054 63 T CA 0.544 62.595 62.100 -0.081 0.000 1.135 63 T CB -0.110 68.719 68.868 -0.064 0.000 0.869 63 T HN 0.203 nan 8.240 nan 0.000 0.466 64 I N -0.044 120.469 120.570 -0.094 0.000 2.252 64 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 64 I C 2.128 178.283 176.117 0.064 0.000 1.102 64 I CA 1.321 62.594 61.300 -0.045 0.000 1.385 64 I CB -0.379 37.551 38.000 -0.116 0.000 1.064 64 I HN 0.205 nan 8.210 nan 0.000 0.414 65 Y N 0.675 121.023 120.300 0.080 0.000 2.181 65 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 65 Y C 2.409 178.333 175.900 0.042 0.000 1.146 65 Y CA 0.935 59.074 58.100 0.065 0.000 1.164 65 Y CB -0.963 37.526 38.460 0.048 0.000 0.982 65 Y HN 0.096 nan 8.280 nan 0.000 0.515 66 I N -0.723 119.947 120.570 0.167 0.000 2.226 66 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 66 I C 2.181 178.319 176.117 0.036 0.000 1.100 66 I CA 1.763 63.104 61.300 0.069 0.000 1.374 66 I CB -0.643 37.361 38.000 0.007 0.000 1.057 66 I HN 0.157 nan 8.210 nan 0.000 0.413 67 T N 0.684 115.244 114.554 0.010 0.000 2.746 67 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 67 T C 2.039 176.861 174.700 0.203 0.000 1.039 67 T CA 1.429 63.548 62.100 0.032 0.000 1.142 67 T CB -0.343 68.483 68.868 -0.071 0.000 0.866 67 T HN 0.477 nan 8.240 nan 0.000 0.444 68 A N 1.416 124.400 122.820 0.273 0.000 2.019 68 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 68 A C 2.165 179.768 177.584 0.031 0.000 1.164 68 A CA 1.852 53.961 52.037 0.120 0.000 0.644 68 A CB -0.439 18.587 19.000 0.043 0.000 0.805 68 A HN 0.382 nan 8.150 nan 0.000 0.449 69 K N 0.040 120.476 120.400 0.060 0.000 2.155 69 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 69 K C 1.759 178.369 176.600 0.018 0.000 1.052 69 K CA 1.676 57.981 56.287 0.031 0.000 0.948 69 K CB -0.197 32.327 32.500 0.040 0.000 0.728 69 K HN 0.576 nan 8.250 nan 0.000 0.448 70 Q N -0.278 119.536 119.800 0.024 0.000 2.282 70 Q HA 0.185 4.525 4.340 -0.000 0.000 0.206 70 Q C -0.423 175.585 176.000 0.012 0.000 0.878 70 Q CA -0.063 55.747 55.803 0.012 0.000 0.944 70 Q CB 0.602 29.341 28.738 0.002 0.000 1.100 70 Q HN 0.235 nan 8.270 nan 0.000 0.509 71 N N 0.566 119.282 118.700 0.028 0.000 2.571 71 N HA 0.394 5.134 4.740 -0.000 0.000 0.273 71 N C -2.892 172.605 175.510 -0.021 0.000 1.340 71 N CA -1.501 51.565 53.050 0.027 0.000 0.789 71 N CB 1.793 40.337 38.487 0.094 0.000 1.514 71 N HN -0.201 nan 8.380 nan 0.000 0.499 72 P HA 0.072 nan 4.420 nan 0.000 0.272 72 P C 0.788 177.965 177.300 -0.206 0.000 1.223 72 P CA -0.239 62.770 63.100 -0.151 0.000 0.784 72 P CB 0.672 32.293 31.700 -0.131 0.000 0.923 73 V N -1.668 117.969 119.914 -0.462 0.000 3.578 73 V HA 0.249 4.369 4.120 -0.000 0.000 0.290 73 V C 0.532 176.322 176.094 -0.508 0.000 1.376 73 V CA 0.349 62.233 62.300 -0.694 0.000 1.083 73 V CB -0.196 31.076 31.823 -0.918 0.000 0.911 73 V HN 0.566 nan 8.190 nan 0.000 0.433 74 T N 2.374 116.662 114.554 -0.443 0.000 2.893 74 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 74 T C -2.913 171.692 174.700 -0.158 0.000 1.028 74 T CA -1.520 60.399 62.100 -0.302 0.000 0.995 74 T CB 2.130 70.777 68.868 -0.369 0.000 1.051 74 T HN 0.324 nan 8.240 nan 0.000 0.470 75 P HA 0.297 nan 4.420 nan 0.000 0.274 75 P C -2.189 175.036 177.300 -0.126 0.000 1.237 75 P CA -1.376 61.675 63.100 -0.083 0.000 0.793 75 P CB 0.418 32.129 31.700 0.018 0.000 0.977 76 P HA -0.131 nan 4.420 nan 0.000 0.220 76 P C 1.077 178.287 177.300 -0.150 0.000 1.148 76 P CA 1.348 64.397 63.100 -0.084 0.000 0.803 76 P CB 0.202 31.845 31.700 -0.095 0.000 0.782 77 E N -0.250 119.748 120.200 -0.337 0.000 2.110 77 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 77 E C 1.962 178.281 176.600 -0.468 0.000 0.988 77 E CA 0.742 56.802 56.400 -0.567 0.000 0.804 77 E CB -0.963 27.930 29.700 -1.345 0.000 0.745 77 E HN 0.151 nan 8.360 nan 0.000 0.458 78 L N -0.345 120.665 121.223 -0.356 0.000 2.044 78 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 78 L C 1.983 178.800 176.870 -0.089 0.000 1.075 78 L CA 1.516 56.245 54.840 -0.185 0.000 0.747 78 L CB -0.612 41.395 42.059 -0.086 0.000 0.903 78 L HN 0.136 nan 8.230 nan 0.000 0.435 79 F N 0.615 120.456 119.950 -0.182 0.000 2.161 79 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 79 F C 2.115 177.846 175.800 -0.115 0.000 1.089 79 F CA 1.633 59.549 58.000 -0.141 0.000 1.282 79 F CB -0.908 38.003 39.000 -0.147 0.000 1.010 79 F HN 0.144 nan 8.300 nan 0.000 0.485 80 G N -1.088 107.578 108.800 -0.224 0.000 2.408 80 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 80 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 80 G C 1.810 176.569 174.900 -0.235 0.000 1.150 80 G CA 0.856 45.792 45.100 -0.273 0.000 0.776 80 G HN 0.424 nan 8.290 nan 0.000 0.542 81 S N 0.508 116.091 115.700 -0.194 0.000 2.356 81 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 81 S C 2.277 176.794 174.600 -0.139 0.000 1.032 81 S CA 0.835 58.951 58.200 -0.139 0.000 1.005 81 S CB -0.222 62.899 63.200 -0.131 0.000 0.867 81 S HN 0.374 nan 8.310 nan 0.000 0.449 82 I N 1.020 121.484 120.570 -0.176 0.000 2.163 82 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 82 I C 2.300 178.301 176.117 -0.192 0.000 1.085 82 I CA 0.906 62.108 61.300 -0.162 0.000 1.347 82 I CB -0.296 37.615 38.000 -0.147 0.000 1.044 82 I HN 0.234 nan 8.210 nan 0.000 0.408 83 L N 0.941 121.964 121.223 -0.333 0.000 2.056 83 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 83 L C 2.272 179.137 176.870 -0.007 0.000 1.078 83 L CA 2.154 56.834 54.840 -0.266 0.000 0.749 83 L CB -1.169 40.606 42.059 -0.474 0.000 0.901 83 L HN 0.187 nan 8.230 nan 0.000 0.433 84 G N -2.378 106.408 108.800 -0.022 0.000 2.408 84 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 84 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 84 G C 1.417 176.363 174.900 0.077 0.000 1.156 84 G CA 0.911 46.059 45.100 0.079 0.000 0.793 84 G HN 0.402 nan 8.290 nan 0.000 0.535 85 T N 0.171 114.728 114.554 0.006 0.000 2.720 85 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 85 T C 1.998 176.686 174.700 -0.020 0.000 1.037 85 T CA 1.660 63.755 62.100 -0.009 0.000 1.144 85 T CB -0.393 68.456 68.868 -0.031 0.000 0.864 85 T HN 0.603 nan 8.240 nan 0.000 0.444 86 H N 0.447 119.431 119.070 -0.144 0.000 2.289 86 H HA -0.147 4.409 4.556 -0.000 0.000 0.294 86 H C 1.821 177.001 175.328 -0.245 0.000 1.095 86 H CA 1.938 57.835 56.048 -0.252 0.000 1.256 86 H CB -0.544 28.974 29.762 -0.407 0.000 1.359 86 H HN 0.375 nan 8.280 nan 0.000 0.487 87 F N 0.314 120.256 119.950 -0.013 0.000 2.186 87 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 87 F C 2.541 178.310 175.800 -0.051 0.000 1.090 87 F CA 1.427 59.433 58.000 0.009 0.000 1.307 87 F CB -0.349 38.688 39.000 0.061 0.000 1.019 87 F HN 0.369 nan 8.300 nan 0.000 0.489 88 I N -2.404 118.219 120.570 0.089 0.000 2.617 88 I HA -0.061 4.109 4.170 -0.000 0.000 0.256 88 I C 1.816 177.914 176.117 -0.032 0.000 1.167 88 I CA 1.317 62.636 61.300 0.032 0.000 1.469 88 I CB -0.579 37.439 38.000 0.030 0.000 1.098 88 I HN 0.076 nan 8.210 nan 0.000 0.436 89 E N 1.541 121.677 120.200 -0.108 0.000 2.112 89 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 89 E C 1.934 178.388 176.600 -0.244 0.000 0.979 89 E CA 0.856 57.169 56.400 -0.145 0.000 0.814 89 E CB 0.051 29.663 29.700 -0.147 0.000 0.762 89 E HN 0.351 nan 8.360 nan 0.000 0.460 90 K N 0.281 120.412 120.400 -0.448 0.000 2.103 90 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 90 K C -0.238 175.972 176.600 -0.650 0.000 1.052 90 K CA 0.990 56.867 56.287 -0.683 0.000 0.945 90 K CB 0.025 31.815 32.500 -1.183 0.000 0.722 90 K HN -0.026 nan 8.250 nan 0.000 0.443 91 Y N 0.832 121.076 120.300 -0.093 0.000 2.335 91 Y HA 0.329 4.879 4.550 -0.000 0.000 0.338 91 Y C 0.798 176.691 175.900 -0.012 0.000 0.977 91 Y CA -0.997 57.099 58.100 -0.007 0.000 1.114 91 Y CB 1.537 39.992 38.460 -0.007 0.000 1.182 91 Y HN -0.031 nan 8.280 nan 0.000 0.463 92 N N 1.175 120.004 118.700 0.215 0.000 2.244 92 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 92 N C 1.530 177.113 175.510 0.122 0.000 1.016 92 N CA 1.192 54.334 53.050 0.152 0.000 0.866 92 N CB -0.040 38.533 38.487 0.143 0.000 0.980 92 N HN 0.788 nan 8.380 nan 0.000 0.430 93 H N -0.989 118.055 119.070 -0.044 0.000 2.539 93 H HA 0.168 4.724 4.556 -0.000 0.000 0.269 93 H C 0.090 175.121 175.328 -0.495 0.000 0.980 93 H CA -0.214 55.716 56.048 -0.197 0.000 1.152 93 H CB 0.170 29.901 29.762 -0.051 0.000 1.407 93 H HN -0.045 nan 8.280 nan 0.000 0.564 94 I N 3.079 123.211 120.570 -0.729 0.000 2.315 94 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 94 I C 0.451 176.302 176.117 -0.443 0.000 1.006 94 I CA -0.460 60.499 61.300 -0.568 0.000 1.265 94 I CB 1.004 38.815 38.000 -0.315 0.000 1.387 94 I HN 0.298 nan 8.210 nan 0.000 0.475 95 H N 4.455 123.498 119.070 -0.045 0.000 2.986 95 H HA 0.529 5.085 4.556 -0.000 0.000 0.267 95 H C 0.238 175.536 175.328 -0.050 0.000 1.072 95 H CA 0.001 56.034 56.048 -0.025 0.000 1.202 95 H CB 1.311 31.071 29.762 -0.004 0.000 1.535 95 H HN 0.609 nan 8.280 nan 0.000 0.522 96 A N 0.767 123.578 122.820 -0.015 0.000 2.520 96 A HA 0.768 5.088 4.320 -0.000 0.000 0.298 96 A C -1.107 176.292 177.584 -0.308 0.000 1.051 96 A CA -0.191 51.756 52.037 -0.149 0.000 0.690 96 A CB 1.582 20.509 19.000 -0.122 0.000 1.281 96 A HN 0.198 nan 8.150 nan 0.000 0.402 97 A N 1.876 124.444 122.820 -0.419 0.000 2.374 97 A HA 0.761 5.081 4.320 -0.000 0.000 0.305 97 A C -1.189 176.051 177.584 -0.573 0.000 1.053 97 A CA -0.557 51.227 52.037 -0.423 0.000 0.726 97 A CB 0.895 19.793 19.000 -0.170 0.000 1.229 97 A HN 0.834 nan 8.150 nan 0.000 0.431 98 H N 1.766 120.767 119.070 -0.114 0.000 2.551 98 H HA 0.475 5.031 4.556 -0.000 0.000 0.321 98 H C -1.134 174.127 175.328 -0.112 0.000 1.028 98 H CA -0.423 55.569 56.048 -0.094 0.000 1.215 98 H CB 1.523 31.232 29.762 -0.088 0.000 1.414 98 H HN 0.319 nan 8.280 nan 0.000 0.480 99 V N 4.421 124.334 119.914 -0.003 0.000 2.378 99 V HA 0.170 4.290 4.120 -0.000 0.000 0.288 99 V C 0.357 176.431 176.094 -0.032 0.000 1.016 99 V CA -0.843 61.431 62.300 -0.044 0.000 0.840 99 V CB 1.738 33.515 31.823 -0.077 0.000 0.994 99 V HN 0.711 nan 8.190 nan 0.000 0.431 100 N N 5.085 123.766 118.700 -0.032 0.000 2.372 100 N HA 0.627 5.367 4.740 -0.000 0.000 0.291 100 N C -1.440 174.055 175.510 -0.025 0.000 1.024 100 N CA -0.431 52.598 53.050 -0.034 0.000 0.873 100 N CB 1.781 40.247 38.487 -0.036 0.000 1.206 100 N HN 0.593 nan 8.380 nan 0.000 0.486 101 I N 2.766 123.316 120.570 -0.033 0.000 2.466 101 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 101 I C -0.531 175.542 176.117 -0.072 0.000 1.026 101 I CA -0.954 60.334 61.300 -0.021 0.000 1.078 101 I CB 2.210 40.219 38.000 0.015 0.000 1.249 101 I HN 0.114 nan 8.210 nan 0.000 0.429 102 V N 5.116 124.969 119.914 -0.102 0.000 2.370 102 V HA 0.280 4.400 4.120 -0.000 0.000 0.283 102 V C -0.203 175.688 176.094 -0.339 0.000 1.023 102 V CA -0.551 61.620 62.300 -0.215 0.000 0.857 102 V CB 1.372 33.052 31.823 -0.238 0.000 0.985 102 V HN 0.797 nan 8.190 nan 0.000 0.443 103 C N 5.539 124.658 119.300 -0.302 0.000 2.347 103 C HA 0.471 4.931 4.460 -0.000 0.000 0.353 103 C C 0.403 175.182 174.990 -0.352 0.000 1.273 103 C CA -0.745 58.114 59.018 -0.265 0.000 1.861 103 C CB -0.772 26.868 27.740 -0.167 0.000 2.420 103 C HN 0.774 nan 8.230 nan 0.000 0.542 104 H N 1.898 120.921 119.070 -0.079 0.000 2.481 104 H HA 0.344 4.900 4.556 -0.000 0.000 0.339 104 H C 0.068 175.252 175.328 -0.241 0.000 1.131 104 H CA -0.184 55.761 56.048 -0.172 0.000 1.301 104 H CB 0.946 30.578 29.762 -0.217 0.000 1.476 104 H HN 0.541 nan 8.280 nan 0.000 0.529 105 R N 1.794 122.194 120.500 -0.168 0.000 2.340 105 R HA 0.101 4.441 4.340 -0.000 0.000 0.300 105 R C -0.691 175.431 176.300 -0.296 0.000 1.069 105 R CA 0.073 56.083 56.100 -0.149 0.000 0.984 105 R CB 0.699 30.964 30.300 -0.059 0.000 1.003 105 R HN 0.547 nan 8.270 nan 0.000 0.459 106 W N 2.026 123.332 121.300 0.010 0.000 2.517 106 W HA 0.214 4.874 4.660 0.000 0.000 0.301 106 W C -0.530 176.053 176.519 0.106 0.000 1.002 106 W CA -0.655 56.701 57.345 0.018 0.000 1.415 106 W CB 2.055 31.418 29.460 -0.162 0.000 1.275 106 W HN 0.377 nan 8.180 nan 0.000 0.413 107 T N 3.263 118.073 114.554 0.427 0.000 2.799 107 T HA 0.267 4.617 4.350 -0.000 0.000 0.286 107 T C 0.209 175.134 174.700 0.375 0.000 0.973 107 T CA -0.660 61.636 62.100 0.327 0.000 1.035 107 T CB 0.952 69.942 68.868 0.204 0.000 0.932 107 T HN 0.264 nan 8.240 nan 0.000 0.469 108 R N 3.505 124.183 120.500 0.296 0.000 2.522 108 R HA 0.182 4.522 4.340 -0.000 0.000 0.284 108 R C 0.175 176.472 176.300 -0.004 0.000 1.032 108 R CA -0.116 56.028 56.100 0.074 0.000 1.049 108 R CB 0.256 30.588 30.300 0.053 0.000 0.956 108 R HN 0.621 nan 8.270 nan 0.000 0.422 109 M N 3.190 122.719 119.600 -0.118 0.000 2.238 109 M HA 0.030 4.510 4.480 -0.000 0.000 0.347 109 M C -0.342 175.935 176.300 -0.039 0.000 1.173 109 M CA 0.588 55.847 55.300 -0.068 0.000 1.147 109 M CB 0.733 33.252 32.600 -0.134 0.000 1.547 109 M HN 0.474 nan 8.290 nan 0.000 0.455 110 D N 4.004 124.396 120.400 -0.012 0.000 2.280 110 D HA 0.383 5.023 4.640 -0.000 0.000 0.236 110 D C -0.677 175.620 176.300 -0.006 0.000 1.082 110 D CA -0.130 53.869 54.000 -0.002 0.000 0.834 110 D CB 1.549 42.354 40.800 0.008 0.000 1.100 110 D HN 0.291 nan 8.370 nan 0.000 0.486 111 I N 2.012 122.585 120.570 0.004 0.000 2.389 111 I HA 0.106 4.276 4.170 -0.000 0.000 0.288 111 I C 0.208 176.328 176.117 0.007 0.000 0.999 111 I CA -0.429 60.872 61.300 0.002 0.000 1.129 111 I CB 1.364 39.373 38.000 0.016 0.000 1.288 111 I HN 0.324 nan 8.210 nan 0.000 0.444 112 D N 5.206 125.607 120.400 0.002 0.000 2.723 112 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 112 D C 1.323 177.624 176.300 0.002 0.000 1.138 112 D CA 1.518 55.519 54.000 0.002 0.000 0.676 112 D CB -0.904 39.897 40.800 0.003 0.000 1.069 112 D HN 1.146 nan 8.370 nan 0.000 0.430 113 G N -0.294 108.507 108.800 0.003 0.000 2.189 113 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 113 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 113 G C 0.242 175.143 174.900 0.002 0.000 0.975 113 G CA 1.084 46.187 45.100 0.004 0.000 0.644 113 G HN 0.686 nan 8.290 nan 0.000 0.537 114 K N 0.171 120.570 120.400 -0.001 0.000 2.221 114 K HA 0.625 4.945 4.320 -0.000 0.000 0.258 114 K C -3.285 173.309 176.600 -0.011 0.000 0.944 114 K CA -2.459 53.822 56.287 -0.009 0.000 0.823 114 K CB 2.876 35.364 32.500 -0.019 0.000 1.113 114 K HN -0.019 nan 8.250 nan 0.000 0.431 115 P HA 0.006 nan 4.420 nan 0.000 0.271 115 P C -0.613 176.653 177.300 -0.056 0.000 1.233 115 P CA 0.113 63.200 63.100 -0.022 0.000 0.764 115 P CB 0.202 31.893 31.700 -0.015 0.000 0.825 116 H N 6.532 125.503 119.070 -0.166 0.000 2.683 116 H HA 0.071 4.627 4.556 -0.000 0.000 0.339 116 H C -1.227 173.931 175.328 -0.284 0.000 1.081 116 H CA -1.411 54.490 56.048 -0.246 0.000 1.432 116 H CB 1.042 30.613 29.762 -0.318 0.000 1.462 116 H HN 0.292 nan 8.280 nan 0.000 0.557 117 P HA -0.101 nan 4.420 nan 0.000 0.221 117 P C 0.337 177.573 177.300 -0.106 0.000 1.150 117 P CA 1.509 64.431 63.100 -0.296 0.000 0.800 117 P CB 0.264 31.783 31.700 -0.302 0.000 0.787 118 H N -4.019 115.059 119.070 0.014 0.000 3.192 118 H HA 0.470 5.026 4.556 -0.000 0.000 0.247 118 H C -0.843 174.385 175.328 -0.168 0.000 1.203 118 H CA -0.368 55.693 56.048 0.021 0.000 0.973 118 H CB -0.092 29.738 29.762 0.114 0.000 2.500 118 H HN -0.188 nan 8.280 nan 0.000 0.678 119 S N 1.013 116.380 115.700 -0.556 0.000 2.526 119 S HA 0.662 5.132 4.470 -0.000 0.000 0.293 119 S C -1.027 173.003 174.600 -0.950 0.000 1.092 119 S CA -0.470 57.389 58.200 -0.569 0.000 0.980 119 S CB 1.579 64.458 63.200 -0.535 0.000 1.048 119 S HN 0.261 nan 8.310 nan 0.000 0.483 120 F N 1.334 121.274 119.950 -0.017 0.000 2.613 120 F HA 0.686 5.213 4.527 -0.000 0.000 0.314 120 F C -0.284 175.641 175.800 0.207 0.000 1.075 120 F CA -0.950 57.102 58.000 0.087 0.000 0.945 120 F CB 1.353 40.398 39.000 0.075 0.000 1.310 120 F HN 0.428 nan 8.300 nan 0.000 0.467 121 I N 1.310 122.179 120.570 0.499 0.000 2.647 121 I HA 0.535 4.705 4.170 -0.000 0.000 0.295 121 I C -0.817 175.532 176.117 0.386 0.000 1.078 121 I CA -1.081 60.473 61.300 0.422 0.000 1.048 121 I CB 1.796 39.920 38.000 0.207 0.000 1.239 121 I HN 0.646 nan 8.210 nan 0.000 0.421 122 R N 5.252 125.874 120.500 0.204 0.000 2.612 122 R HA 0.139 4.479 4.340 -0.000 0.000 0.273 122 R C 0.277 176.570 176.300 -0.012 0.000 1.376 122 R CA -0.111 55.919 56.100 -0.115 0.000 1.171 122 R CB -0.137 29.944 30.300 -0.364 0.000 1.151 122 R HN 0.651 nan 8.270 nan 0.000 0.560 123 D N 0.792 121.210 120.400 0.031 0.000 2.328 123 D HA 0.021 4.661 4.640 -0.000 0.000 0.226 123 D C -0.380 175.936 176.300 0.026 0.000 1.066 123 D CA 0.017 54.044 54.000 0.046 0.000 0.861 123 D CB 0.269 41.112 40.800 0.073 0.000 0.912 123 D HN 0.294 nan 8.370 nan 0.000 0.521 124 S N -0.970 114.729 115.700 -0.000 0.000 2.622 124 S HA 0.146 4.616 4.470 -0.000 0.000 0.275 124 S C -0.920 173.668 174.600 -0.021 0.000 1.112 124 S CA -0.500 57.700 58.200 -0.001 0.000 0.837 124 S CB 1.289 64.503 63.200 0.025 0.000 1.082 124 S HN -0.170 nan 8.310 nan 0.000 0.456 125 E N 1.597 121.789 120.200 -0.013 0.000 2.479 125 E HA 0.196 4.545 4.350 -0.000 0.000 0.193 125 E C 0.437 177.041 176.600 0.006 0.000 1.049 125 E CA 0.084 56.478 56.400 -0.011 0.000 0.870 125 E CB 0.120 29.815 29.700 -0.009 0.000 0.944 125 E HN 0.617 nan 8.360 nan 0.000 0.492 126 E N 1.300 121.511 120.200 0.018 0.000 2.452 126 E HA -0.039 4.311 4.350 -0.000 0.000 0.261 126 E C -0.403 176.221 176.600 0.040 0.000 0.987 126 E CA 0.196 56.622 56.400 0.042 0.000 0.926 126 E CB 0.467 30.211 29.700 0.074 0.000 0.934 126 E HN -0.260 nan 8.360 nan 0.000 0.452 127 K N 3.249 123.670 120.400 0.036 0.000 2.281 127 K HA 0.378 4.698 4.320 -0.000 0.000 0.242 127 K C -0.518 176.113 176.600 0.052 0.000 0.971 127 K CA -0.818 55.463 56.287 -0.011 0.000 0.834 127 K CB 1.633 34.091 32.500 -0.069 0.000 1.181 127 K HN 0.506 nan 8.250 nan 0.000 0.435 128 R N 2.127 122.619 120.500 -0.014 0.000 2.343 128 R HA 0.337 4.677 4.340 -0.000 0.000 0.320 128 R C -0.812 175.431 176.300 -0.095 0.000 0.956 128 R CA -0.301 55.789 56.100 -0.017 0.000 0.836 128 R CB 0.547 30.712 30.300 -0.225 0.000 1.151 128 R HN 0.598 nan 8.270 nan 0.000 0.450 129 N N 2.921 121.569 118.700 -0.086 0.000 2.328 129 N HA 0.459 5.199 4.740 -0.000 0.000 0.299 129 N C -1.160 174.268 175.510 -0.137 0.000 1.179 129 N CA -0.648 52.332 53.050 -0.117 0.000 0.793 129 N CB 2.444 40.865 38.487 -0.111 0.000 1.366 129 N HN 0.375 nan 8.380 nan 0.000 0.493 130 V N -2.057 117.785 119.914 -0.119 0.000 2.971 130 V HA 0.535 4.655 4.120 -0.000 0.000 0.309 130 V C -0.852 175.187 176.094 -0.091 0.000 1.130 130 V CA -0.889 61.339 62.300 -0.120 0.000 0.964 130 V CB 2.129 33.880 31.823 -0.120 0.000 1.029 130 V HN 0.711 nan 8.190 nan 0.000 0.427 131 Q N 2.104 121.856 119.800 -0.081 0.000 2.333 131 Q HA 0.756 5.096 4.340 -0.000 0.000 0.268 131 Q C -2.038 173.947 176.000 -0.025 0.000 1.007 131 Q CA -0.609 55.164 55.803 -0.049 0.000 0.810 131 Q CB 2.291 30.999 28.738 -0.049 0.000 1.264 131 Q HN 0.827 nan 8.270 nan 0.000 0.452 132 V N 4.422 124.326 119.914 -0.016 0.000 2.444 132 V HA 0.362 4.482 4.120 -0.000 0.000 0.294 132 V C -0.853 175.255 176.094 0.023 0.000 1.022 132 V CA -0.747 61.548 62.300 -0.008 0.000 0.850 132 V CB 1.871 33.662 31.823 -0.053 0.000 0.992 132 V HN 0.805 nan 8.190 nan 0.000 0.426 133 D N 3.856 124.289 120.400 0.054 0.000 2.303 133 D HA 0.447 5.087 4.640 -0.000 0.000 0.236 133 D C -0.733 175.566 176.300 -0.001 0.000 1.068 133 D CA -0.167 53.877 54.000 0.074 0.000 0.830 133 D CB 2.711 43.625 40.800 0.190 0.000 1.109 133 D HN 0.249 nan 8.370 nan 0.000 0.496 134 V N 2.737 122.601 119.914 -0.083 0.000 2.357 134 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 134 V C 0.129 176.180 176.094 -0.072 0.000 1.018 134 V CA -0.684 61.585 62.300 -0.052 0.000 0.841 134 V CB 1.765 33.563 31.823 -0.043 0.000 0.991 134 V HN 0.267 nan 8.190 nan 0.000 0.437 135 V N 3.695 123.599 119.914 -0.017 0.000 2.531 135 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 135 V C 0.084 176.189 176.094 0.017 0.000 1.034 135 V CA -0.905 61.392 62.300 -0.004 0.000 0.865 135 V CB 1.814 33.648 31.823 0.018 0.000 0.995 135 V HN 0.939 nan 8.190 nan 0.000 0.424 136 E N 2.950 123.170 120.200 0.034 0.000 2.585 136 E HA 0.314 4.664 4.350 -0.000 0.000 0.252 136 E C 1.310 177.917 176.600 0.012 0.000 0.981 136 E CA 1.452 57.875 56.400 0.039 0.000 0.943 136 E CB 0.272 30.026 29.700 0.091 0.000 0.923 136 E HN 1.112 nan 8.360 nan 0.000 0.486 137 G N 4.312 113.119 108.800 0.011 0.000 2.184 137 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 137 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 137 G C 0.563 175.469 174.900 0.010 0.000 0.975 137 G CA 0.543 45.646 45.100 0.004 0.000 0.642 137 G HN 0.540 nan 8.290 nan 0.000 0.536 138 K N -0.109 120.301 120.400 0.018 0.000 2.533 138 K HA 0.461 4.781 4.320 -0.000 0.000 0.202 138 K C 1.281 177.902 176.600 0.034 0.000 1.096 138 K CA 0.619 56.919 56.287 0.023 0.000 1.056 138 K CB 1.055 33.567 32.500 0.020 0.000 0.890 138 K HN 1.586 nan 8.250 nan 0.000 0.552 139 G N 1.997 110.822 108.800 0.042 0.000 2.542 139 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.235 139 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.235 139 G C -0.656 174.286 174.900 0.069 0.000 1.286 139 G CA -0.583 44.557 45.100 0.065 0.000 0.904 139 G HN 0.129 nan 8.290 nan 0.000 0.577 140 I N 0.981 121.617 120.570 0.110 0.000 2.478 140 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 140 I C -1.397 174.805 176.117 0.142 0.000 1.042 140 I CA -0.682 60.693 61.300 0.125 0.000 1.067 140 I CB 2.128 40.222 38.000 0.157 0.000 1.233 140 I HN 0.306 nan 8.210 nan 0.000 0.431 141 D N 7.713 128.169 120.400 0.093 0.000 2.303 141 D HA 0.553 5.193 4.640 -0.000 0.000 0.236 141 D C -0.435 175.924 176.300 0.097 0.000 1.068 141 D CA -0.034 54.011 54.000 0.075 0.000 0.830 141 D CB 2.346 43.177 40.800 0.051 0.000 1.109 141 D HN 0.300 nan 8.370 nan 0.000 0.496 142 I N 2.153 122.811 120.570 0.147 0.000 2.436 142 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 142 I C 0.109 176.358 176.117 0.220 0.000 1.010 142 I CA -0.727 60.674 61.300 0.168 0.000 1.098 142 I CB 1.616 39.730 38.000 0.189 0.000 1.266 142 I HN -0.110 nan 8.210 nan 0.000 0.434 143 K N 4.784 125.230 120.400 0.077 0.000 2.307 143 K HA 0.550 4.870 4.320 -0.000 0.000 0.263 143 K C -0.823 175.688 176.600 -0.148 0.000 0.973 143 K CA -0.482 55.790 56.287 -0.025 0.000 0.846 143 K CB 2.081 34.538 32.500 -0.073 0.000 1.100 143 K HN 0.485 nan 8.250 nan 0.000 0.438 144 S N 1.098 116.580 115.700 -0.363 0.000 2.549 144 S HA 0.569 5.038 4.470 -0.000 0.000 0.297 144 S C -0.553 173.378 174.600 -1.115 0.000 1.115 144 S CA -0.797 57.029 58.200 -0.624 0.000 1.059 144 S CB 1.498 64.367 63.200 -0.553 0.000 1.046 144 S HN 0.712 nan 8.310 nan 0.000 0.506 145 S N 0.839 116.079 115.700 -0.765 0.000 2.596 145 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 145 S C -1.462 173.060 174.600 -0.130 0.000 1.155 145 S CA -1.083 56.754 58.200 -0.605 0.000 0.827 145 S CB 0.666 63.678 63.200 -0.314 0.000 1.130 145 S HN 0.641 nan 8.310 nan 0.000 0.467 146 L N -0.572 120.714 121.223 0.104 0.000 2.362 146 L HA 1.024 5.364 4.340 -0.000 0.000 0.271 146 L C -0.367 176.559 176.870 0.093 0.000 1.002 146 L CA -0.613 54.364 54.840 0.229 0.000 0.818 146 L CB 1.686 43.975 42.059 0.384 0.000 1.298 146 L HN 1.052 nan 8.230 nan 0.000 0.420 147 S N -0.397 115.347 115.700 0.073 0.000 2.579 147 S HA 0.800 5.270 4.470 -0.000 0.000 0.272 147 S C 0.410 175.026 174.600 0.028 0.000 1.141 147 S CA -0.175 58.041 58.200 0.027 0.000 0.843 147 S CB 1.258 64.454 63.200 -0.005 0.000 1.122 147 S HN 2.309 nan 8.310 nan 0.000 0.468 148 G N -0.075 108.731 108.800 0.010 0.000 2.143 148 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.248 148 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.248 148 G C -0.279 174.623 174.900 0.003 0.000 0.991 148 G CA 0.297 45.400 45.100 0.005 0.000 0.689 148 G HN 1.460 nan 8.290 nan 0.000 0.522 149 L N 2.089 123.311 121.223 -0.000 0.000 2.268 149 L HA 0.721 5.061 4.340 -0.000 0.000 0.289 149 L C 0.196 177.026 176.870 -0.066 0.000 1.064 149 L CA -0.182 54.646 54.840 -0.020 0.000 0.824 149 L CB 0.958 43.009 42.059 -0.014 0.000 1.202 149 L HN 0.055 nan 8.230 nan 0.000 0.433 150 T N 5.664 120.179 114.554 -0.066 0.000 2.758 150 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 150 T C -0.395 174.231 174.700 -0.122 0.000 0.981 150 T CA -0.274 61.776 62.100 -0.084 0.000 0.965 150 T CB 1.094 69.938 68.868 -0.040 0.000 0.927 150 T HN 0.563 nan 8.240 nan 0.000 0.448 151 V N 2.127 121.920 119.914 -0.203 0.000 3.130 151 V HA 0.913 5.033 4.120 -0.000 0.000 0.310 151 V C -1.189 174.812 176.094 -0.155 0.000 1.158 151 V CA -1.201 60.939 62.300 -0.266 0.000 1.029 151 V CB 2.171 33.603 31.823 -0.652 0.000 1.057 151 V HN 0.831 nan 8.190 nan 0.000 0.436 152 L N 1.679 122.907 121.223 0.007 0.000 2.513 152 L HA 0.736 5.076 4.340 -0.000 0.000 0.261 152 L C -1.149 175.850 176.870 0.215 0.000 0.945 152 L CA -0.523 54.377 54.840 0.101 0.000 0.848 152 L CB 2.136 44.153 42.059 -0.070 0.000 1.334 152 L HN 1.069 nan 8.230 nan 0.000 0.407 153 K N 1.239 121.736 120.400 0.162 0.000 2.316 153 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 153 K C -0.183 176.354 176.600 -0.105 0.000 0.934 153 K CA -0.295 55.987 56.287 -0.010 0.000 0.802 153 K CB 1.974 34.360 32.500 -0.191 0.000 1.171 153 K HN 0.526 nan 8.250 nan 0.000 0.426 154 S N 0.554 116.192 115.700 -0.105 0.000 2.548 154 S HA 0.036 4.506 4.470 -0.000 0.000 0.215 154 S C 0.582 175.123 174.600 -0.099 0.000 0.976 154 S CA 0.127 58.243 58.200 -0.140 0.000 0.908 154 S CB 0.114 63.250 63.200 -0.106 0.000 0.781 154 S HN 0.764 nan 8.310 nan 0.000 0.519 155 T N 0.913 115.422 114.554 -0.075 0.000 2.665 155 T HA 0.410 4.760 4.350 -0.000 0.000 0.303 155 T C -1.288 173.382 174.700 -0.050 0.000 1.334 155 T CA -0.573 61.505 62.100 -0.035 0.000 1.011 155 T CB 0.439 69.305 68.868 -0.004 0.000 1.573 155 T HN 0.265 nan 8.240 nan 0.000 0.492 156 N N 0.407 119.099 118.700 -0.013 0.000 2.758 156 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 156 N C -1.151 174.326 175.510 -0.055 0.000 1.076 156 N CA 0.847 53.883 53.050 -0.023 0.000 0.696 156 N CB -0.905 37.548 38.487 -0.055 0.000 0.979 156 N HN 0.552 nan 8.380 nan 0.000 0.550 157 S N 0.239 115.928 115.700 -0.018 0.000 2.548 157 S HA 0.518 4.988 4.470 -0.000 0.000 0.276 157 S C -1.136 173.504 174.600 0.066 0.000 1.129 157 S CA -0.559 57.633 58.200 -0.013 0.000 0.931 157 S CB 1.919 65.089 63.200 -0.051 0.000 1.068 157 S HN 0.254 nan 8.310 nan 0.000 0.480 158 Q N 2.078 121.926 119.800 0.081 0.000 2.451 158 Q HA 0.654 4.994 4.340 -0.000 0.000 0.281 158 Q C -1.864 174.218 176.000 0.136 0.000 1.099 158 Q CA -0.807 55.066 55.803 0.117 0.000 0.806 158 Q CB 2.512 31.344 28.738 0.156 0.000 1.419 158 Q HN 0.614 nan 8.270 nan 0.000 0.427 159 F N 3.216 123.111 119.950 -0.092 0.000 3.287 159 F HA 0.405 4.932 4.527 0.000 0.000 0.379 159 F C -1.989 173.817 175.800 0.011 0.000 1.268 159 F CA -0.469 57.466 58.000 -0.108 0.000 1.220 159 F CB 0.857 39.828 39.000 -0.048 0.000 1.687 159 F HN 0.609 nan 8.300 nan 0.000 0.648 160 W N 2.886 123.869 121.300 -0.528 0.000 3.029 160 W HA 0.661 5.321 4.660 -0.001 0.000 0.339 160 W C 0.381 176.585 176.519 -0.524 0.000 1.198 160 W CA -1.410 55.559 57.345 -0.626 0.000 1.148 160 W CB 1.157 30.024 29.460 -0.988 0.000 1.451 160 W HN 1.104 nan 8.180 nan 0.000 0.564 161 G N 0.921 109.580 108.800 -0.236 0.000 2.136 161 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.242 161 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.242 161 G C -0.383 174.329 174.900 -0.313 0.000 0.989 161 G CA 0.268 45.251 45.100 -0.195 0.000 0.682 161 G HN 0.806 nan 8.290 nan 0.000 0.522 162 F N -0.919 118.833 119.950 -0.330 0.000 2.375 162 F HA 0.752 5.279 4.527 0.000 0.000 0.313 162 F C 0.904 176.647 175.800 -0.095 0.000 1.176 162 F CA -2.040 55.812 58.000 -0.247 0.000 1.142 162 F CB 0.459 39.284 39.000 -0.292 0.000 1.275 162 F HN 0.106 nan 8.300 nan 0.000 0.544 163 L N 2.335 123.662 121.223 0.174 0.000 2.525 163 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 163 L C -0.361 176.602 176.870 0.155 0.000 1.218 163 L CA 0.162 55.070 54.840 0.113 0.000 0.878 163 L CB 0.152 42.282 42.059 0.118 0.000 1.127 163 L HN 0.711 nan 8.230 nan 0.000 0.492 164 R N 4.173 124.712 120.500 0.064 0.000 2.513 164 R HA 0.496 4.836 4.340 -0.000 0.000 0.301 164 R C -1.425 174.921 176.300 0.076 0.000 0.968 164 R CA -0.832 55.314 56.100 0.076 0.000 0.872 164 R CB 1.719 32.016 30.300 -0.005 0.000 1.177 164 R HN 0.719 nan 8.270 nan 0.000 0.444 165 D N 0.492 120.958 120.400 0.109 0.000 3.009 165 D HA -0.044 4.596 4.640 -0.000 0.000 0.318 165 D C 0.405 176.750 176.300 0.076 0.000 1.273 165 D CA -0.675 53.385 54.000 0.100 0.000 1.001 165 D CB 0.171 41.059 40.800 0.148 0.000 1.411 165 D HN 0.398 nan 8.370 nan 0.000 0.577 166 E N -0.513 119.698 120.200 0.019 0.000 2.511 166 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 166 E C 0.291 176.733 176.600 -0.263 0.000 1.066 166 E CA 0.530 56.849 56.400 -0.136 0.000 0.871 166 E CB -0.486 29.077 29.700 -0.228 0.000 0.863 166 E HN 0.553 nan 8.360 nan 0.000 0.520 167 Y N 0.978 121.301 120.300 0.039 0.000 2.458 167 Y HA 0.200 4.750 4.550 -0.000 0.000 0.256 167 Y C 0.563 176.493 175.900 0.050 0.000 1.159 167 Y CA 0.084 58.207 58.100 0.039 0.000 1.261 167 Y CB 0.866 39.349 38.460 0.037 0.000 1.119 167 Y HN -0.145 nan 8.280 nan 0.000 0.524 168 T N 0.114 114.768 114.554 0.168 0.000 2.767 168 T HA 0.225 4.575 4.350 -0.000 0.000 0.288 168 T C 1.082 175.853 174.700 0.118 0.000 0.963 168 T CA 0.037 62.235 62.100 0.164 0.000 1.019 168 T CB 1.237 70.220 68.868 0.192 0.000 0.923 168 T HN 0.348 nan 8.240 nan 0.000 0.468 169 T N 0.344 114.965 114.554 0.111 0.000 2.975 169 T HA 0.229 4.579 4.350 -0.000 0.000 0.261 169 T C 0.492 175.249 174.700 0.095 0.000 0.984 169 T CA -0.449 61.698 62.100 0.079 0.000 0.911 169 T CB -0.095 68.799 68.868 0.043 0.000 1.127 169 T HN 0.317 nan 8.240 nan 0.000 0.514 170 L N 2.915 124.220 121.223 0.136 0.000 2.455 170 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 170 L C -0.133 176.909 176.870 0.285 0.000 1.174 170 L CA 0.036 54.967 54.840 0.151 0.000 0.869 170 L CB 0.298 42.404 42.059 0.078 0.000 1.130 170 L HN 0.075 nan 8.230 nan 0.000 0.474 171 K N 4.252 124.780 120.400 0.212 0.000 2.144 171 K HA 0.284 4.604 4.320 -0.000 0.000 0.270 171 K C -0.340 176.444 176.600 0.307 0.000 1.005 171 K CA -0.576 55.845 56.287 0.223 0.000 0.932 171 K CB 0.766 33.355 32.500 0.147 0.000 1.021 171 K HN 0.610 nan 8.250 nan 0.000 0.462 172 E N 0.879 121.204 120.200 0.209 0.000 2.398 172 E HA 0.019 4.369 4.350 -0.000 0.000 0.263 172 E C -0.240 176.403 176.600 0.073 0.000 1.046 172 E CA 0.338 56.789 56.400 0.086 0.000 0.908 172 E CB 1.037 30.650 29.700 -0.146 0.000 0.963 172 E HN 0.353 nan 8.360 nan 0.000 0.431 173 T N 1.439 115.945 114.554 -0.080 0.000 2.916 173 T HA 0.273 4.622 4.350 -0.000 0.000 0.305 173 T C -0.906 173.754 174.700 -0.066 0.000 1.119 173 T CA -0.660 61.501 62.100 0.102 0.000 1.008 173 T CB 0.687 69.683 68.868 0.212 0.000 1.129 173 T HN 0.581 nan 8.240 nan 0.000 0.480 174 W N 1.856 123.274 121.300 0.196 0.000 3.005 174 W HA 0.305 4.965 4.660 -0.000 0.000 0.374 174 W C -0.031 176.580 176.519 0.154 0.000 1.076 174 W CA -0.339 57.120 57.345 0.190 0.000 1.794 174 W CB 0.644 30.135 29.460 0.051 0.000 1.113 174 W HN 0.593 nan 8.180 nan 0.000 0.584 175 D N 0.934 121.518 120.400 0.307 0.000 2.548 175 D HA 0.184 4.824 4.640 -0.000 0.000 0.214 175 D C -0.555 175.854 176.300 0.181 0.000 1.345 175 D CA -0.030 54.097 54.000 0.212 0.000 0.945 175 D CB 1.028 41.947 40.800 0.199 0.000 1.499 175 D HN 0.050 nan 8.370 nan 0.000 0.579 176 R N 2.022 122.596 120.500 0.122 0.000 2.795 176 R HA 0.681 5.021 4.340 -0.000 0.000 0.268 176 R C -0.810 175.491 176.300 0.002 0.000 1.041 176 R CA -0.966 55.197 56.100 0.106 0.000 0.927 176 R CB 0.837 31.222 30.300 0.141 0.000 1.235 176 R HN 0.172 nan 8.270 nan 0.000 0.463 177 I N 1.293 121.825 120.570 -0.063 0.000 2.472 177 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 177 I C -0.695 175.372 176.117 -0.082 0.000 1.016 177 I CA -0.965 60.230 61.300 -0.175 0.000 1.348 177 I CB 1.514 39.270 38.000 -0.406 0.000 1.417 177 I HN 0.386 nan 8.210 nan 0.000 0.521 178 L N 6.172 127.349 121.223 -0.078 0.000 2.376 178 L HA 0.578 4.918 4.340 -0.000 0.000 0.275 178 L C -0.655 176.268 176.870 0.088 0.000 0.987 178 L CA 0.221 55.070 54.840 0.014 0.000 0.828 178 L CB 1.642 43.703 42.059 0.003 0.000 1.249 178 L HN 0.546 nan 8.230 nan 0.000 0.409 179 S N 3.051 118.791 115.700 0.067 0.000 2.547 179 S HA 0.877 5.347 4.470 -0.000 0.000 0.281 179 S C -0.883 173.733 174.600 0.028 0.000 1.118 179 S CA -0.198 58.036 58.200 0.058 0.000 0.947 179 S CB 1.467 64.689 63.200 0.038 0.000 1.053 179 S HN 0.892 nan 8.310 nan 0.000 0.482 180 T N 1.918 116.447 114.554 -0.042 0.000 2.792 180 T HA 0.480 4.830 4.350 -0.000 0.000 0.303 180 T C -2.347 172.299 174.700 -0.091 0.000 1.310 180 T CA -0.635 61.428 62.100 -0.062 0.000 1.007 180 T CB 1.400 70.240 68.868 -0.048 0.000 1.335 180 T HN 0.591 nan 8.240 nan 0.000 0.504 181 D N 2.207 122.571 120.400 -0.060 0.000 2.349 181 D HA 0.428 5.068 4.640 -0.000 0.000 0.232 181 D C -0.224 176.058 176.300 -0.030 0.000 1.071 181 D CA -0.146 53.823 54.000 -0.051 0.000 0.832 181 D CB 1.788 42.568 40.800 -0.033 0.000 1.086 181 D HN 0.287 nan 8.370 nan 0.000 0.504 182 V N 2.627 122.523 119.914 -0.030 0.000 2.488 182 V HA 0.102 4.222 4.120 -0.000 0.000 0.277 182 V C 0.405 176.523 176.094 0.040 0.000 1.046 182 V CA -0.117 62.202 62.300 0.031 0.000 0.986 182 V CB 1.402 33.248 31.823 0.038 0.000 0.989 182 V HN 0.443 nan 8.190 nan 0.000 0.475 183 D N 4.001 124.434 120.400 0.054 0.000 2.440 183 D HA 0.633 5.273 4.640 -0.000 0.000 0.239 183 D C -0.581 175.685 176.300 -0.055 0.000 1.084 183 D CA -0.128 53.876 54.000 0.007 0.000 0.843 183 D CB 1.836 42.635 40.800 -0.002 0.000 1.097 183 D HN 0.687 nan 8.370 nan 0.000 0.531 184 A N 2.887 125.635 122.820 -0.120 0.000 2.374 184 A HA 0.680 5.000 4.320 -0.000 0.000 0.305 184 A C -0.531 176.966 177.584 -0.145 0.000 1.053 184 A CA -0.577 51.246 52.037 -0.357 0.000 0.726 184 A CB 1.639 20.307 19.000 -0.552 0.000 1.229 184 A HN 0.365 nan 8.150 nan 0.000 0.431 185 T N 2.386 116.837 114.554 -0.172 0.000 2.848 185 T HA 0.592 4.942 4.350 -0.000 0.000 0.285 185 T C -0.981 173.695 174.700 -0.040 0.000 0.995 185 T CA -0.056 61.922 62.100 -0.203 0.000 0.970 185 T CB 0.529 69.286 68.868 -0.186 0.000 0.976 185 T HN 0.728 nan 8.240 nan 0.000 0.441 186 W N 2.483 123.690 121.300 -0.155 0.000 2.587 186 W HA 0.685 5.345 4.660 0.000 0.000 0.324 186 W C -0.357 176.018 176.519 -0.239 0.000 1.040 186 W CA -1.080 56.120 57.345 -0.240 0.000 1.222 186 W CB 0.844 30.108 29.460 -0.327 0.000 1.381 186 W HN 0.484 nan 8.180 nan 0.000 0.483 187 Q N 3.448 123.181 119.800 -0.112 0.000 2.290 187 Q HA 0.272 4.612 4.340 -0.000 0.000 0.259 187 Q C -1.215 174.721 176.000 -0.107 0.000 0.941 187 Q CA -0.625 55.127 55.803 -0.086 0.000 0.912 187 Q CB 0.987 29.701 28.738 -0.041 0.000 1.244 187 Q HN 0.744 nan 8.270 nan 0.000 0.441 188 W N 3.209 124.525 121.300 0.025 0.000 2.237 188 W HA 0.239 4.899 4.660 0.000 0.000 0.335 188 W C 0.565 176.959 176.519 -0.209 0.000 1.230 188 W CA -0.303 57.025 57.345 -0.028 0.000 1.253 188 W CB 0.581 30.080 29.460 0.065 0.000 1.129 188 W HN 0.508 nan 8.180 nan 0.000 0.590 189 K N 3.204 123.581 120.400 -0.038 0.000 2.469 189 K HA -0.136 4.184 4.320 -0.000 0.000 0.274 189 K C 0.572 176.917 176.600 -0.424 0.000 0.983 189 K CA -0.334 55.845 56.287 -0.180 0.000 0.974 189 K CB 0.321 32.741 32.500 -0.134 0.000 0.913 189 K HN 0.585 nan 8.250 nan 0.000 0.493 190 N N 2.734 121.285 118.700 -0.249 0.000 2.353 190 N HA -0.063 4.677 4.740 -0.000 0.000 0.248 190 N C -1.208 174.141 175.510 -0.268 0.000 1.240 190 N CA 0.393 53.316 53.050 -0.213 0.000 0.862 190 N CB 0.197 38.647 38.487 -0.062 0.000 1.086 190 N HN 0.278 nan 8.380 nan 0.000 0.453 191 F N 0.354 120.357 119.950 0.089 0.000 2.492 191 F HA 0.207 4.734 4.527 -0.000 0.000 0.327 191 F C 1.710 177.545 175.800 0.059 0.000 1.079 191 F CA -0.836 57.215 58.000 0.085 0.000 0.967 191 F CB 1.709 40.765 39.000 0.093 0.000 1.169 191 F HN 0.514 nan 8.300 nan 0.000 0.472 192 S N 0.021 115.871 115.700 0.250 0.000 2.453 192 S HA 0.459 4.929 4.470 -0.000 0.000 0.231 192 S C 0.769 175.436 174.600 0.111 0.000 1.005 192 S CA 0.523 58.807 58.200 0.139 0.000 0.949 192 S CB -0.316 62.947 63.200 0.104 0.000 0.774 192 S HN 1.090 nan 8.310 nan 0.000 0.510 193 G N -0.229 108.644 108.800 0.122 0.000 2.317 193 G HA2 0.357 4.317 3.960 -0.000 0.000 0.293 193 G HA3 0.357 4.317 3.960 -0.000 0.000 0.293 193 G C -0.070 174.845 174.900 0.025 0.000 1.287 193 G CA -0.401 44.736 45.100 0.062 0.000 0.850 193 G HN 0.131 nan 8.290 nan 0.000 0.515 194 L N 0.151 121.368 121.223 -0.010 0.000 2.042 194 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 194 L C 3.071 179.906 176.870 -0.059 0.000 1.076 194 L CA 2.323 57.136 54.840 -0.044 0.000 0.749 194 L CB -0.119 41.913 42.059 -0.044 0.000 0.893 194 L HN 0.794 nan 8.230 nan 0.000 0.432 195 Q N -0.148 119.627 119.800 -0.041 0.000 2.124 195 Q HA -0.284 4.056 4.340 -0.000 0.000 0.202 195 Q C 2.053 178.005 176.000 -0.079 0.000 0.977 195 Q CA 1.849 57.620 55.803 -0.054 0.000 0.850 195 Q CB 0.017 28.734 28.738 -0.035 0.000 0.901 195 Q HN 0.496 nan 8.270 nan 0.000 0.429 196 E N -0.764 119.406 120.200 -0.050 0.000 2.072 196 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 196 E C 1.989 178.463 176.600 -0.211 0.000 0.982 196 E CA 1.049 57.417 56.400 -0.054 0.000 0.803 196 E CB 0.224 29.994 29.700 0.117 0.000 0.755 196 E HN 0.249 nan 8.360 nan 0.000 0.453 197 V N 1.207 120.938 119.914 -0.305 0.000 2.287 197 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 197 V C 2.396 178.371 176.094 -0.198 0.000 1.053 197 V CA 1.974 64.011 62.300 -0.439 0.000 1.027 197 V CB -0.533 31.108 31.823 -0.305 0.000 0.646 197 V HN 0.252 nan 8.190 nan 0.000 0.447 198 R N 0.682 121.097 120.500 -0.142 0.000 2.127 198 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 198 R C 2.508 178.715 176.300 -0.155 0.000 1.134 198 R CA 1.653 57.690 56.100 -0.105 0.000 0.975 198 R CB -0.473 29.775 30.300 -0.087 0.000 0.865 198 R HN 0.721 nan 8.270 nan 0.000 0.447 199 S N -0.311 115.244 115.700 -0.243 0.000 2.481 199 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 199 S C 1.213 175.525 174.600 -0.481 0.000 0.996 199 S CA 0.726 58.719 58.200 -0.345 0.000 0.942 199 S CB -0.065 62.887 63.200 -0.413 0.000 0.768 199 S HN 0.374 nan 8.310 nan 0.000 0.520 200 H N 0.107 119.019 119.070 -0.263 0.000 2.594 200 H HA 0.398 4.954 4.556 -0.000 0.000 0.279 200 H C 1.748 176.754 175.328 -0.537 0.000 1.042 200 H CA -0.036 55.772 56.048 -0.400 0.000 1.177 200 H CB 0.232 29.657 29.762 -0.563 0.000 1.524 200 H HN 0.243 nan 8.280 nan 0.000 0.537 201 V N 2.028 121.829 119.914 -0.188 0.000 2.317 201 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 201 V C -0.464 175.596 176.094 -0.056 0.000 1.065 201 V CA 2.123 64.411 62.300 -0.020 0.000 1.049 201 V CB -0.968 30.880 31.823 0.042 0.000 0.651 201 V HN 0.353 nan 8.190 nan 0.000 0.450 202 P HA -0.136 nan 4.420 nan 0.000 0.220 202 P C 1.418 178.709 177.300 -0.014 0.000 1.148 202 P CA 1.279 64.369 63.100 -0.015 0.000 0.803 202 P CB -0.084 31.608 31.700 -0.013 0.000 0.782 203 K N -1.984 118.330 120.400 -0.145 0.000 2.365 203 K HA -0.022 4.298 4.320 -0.000 0.000 0.199 203 K C 1.600 178.248 176.600 0.081 0.000 1.045 203 K CA 0.872 57.126 56.287 -0.055 0.000 0.962 203 K CB -0.405 32.034 32.500 -0.102 0.000 0.759 203 K HN 0.130 nan 8.250 nan 0.000 0.469 204 F N 2.053 122.092 119.950 0.149 0.000 2.084 204 F HA -0.141 4.386 4.527 -0.000 0.000 0.296 204 F C 1.972 177.980 175.800 0.346 0.000 1.111 204 F CA 1.175 59.318 58.000 0.239 0.000 1.224 204 F CB -0.595 38.428 39.000 0.038 0.000 0.991 204 F HN -0.021 nan 8.300 nan 0.000 0.471 205 D N -0.022 120.624 120.400 0.410 0.000 2.144 205 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 205 D C 2.304 178.848 176.300 0.407 0.000 0.978 205 D CA 1.329 55.556 54.000 0.378 0.000 0.833 205 D CB -0.553 40.391 40.800 0.240 0.000 0.961 205 D HN 0.215 nan 8.370 nan 0.000 0.470 206 A N 0.126 123.118 122.820 0.286 0.000 1.969 206 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 206 A C 2.314 180.002 177.584 0.172 0.000 1.169 206 A CA 1.706 53.864 52.037 0.202 0.000 0.635 206 A CB -0.642 18.436 19.000 0.130 0.000 0.810 206 A HN 0.188 nan 8.150 nan 0.000 0.445 207 T N -1.736 112.968 114.554 0.249 0.000 2.857 207 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 207 T C 1.465 176.136 174.700 -0.049 0.000 1.048 207 T CA 1.235 63.388 62.100 0.089 0.000 1.139 207 T CB -0.316 68.700 68.868 0.246 0.000 0.874 207 T HN 0.764 nan 8.240 nan 0.000 0.455 208 W N 2.399 123.783 121.300 0.140 0.000 2.335 208 W HA -0.111 4.549 4.660 0.000 0.000 0.311 208 W C 2.473 178.997 176.519 0.009 0.000 1.213 208 W CA 1.283 58.737 57.345 0.181 0.000 1.274 208 W CB -0.532 29.176 29.460 0.413 0.000 1.148 208 W HN 0.217 nan 8.180 nan 0.000 0.498 209 A N -0.233 122.597 122.820 0.016 0.000 1.902 209 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 209 A C 1.924 179.321 177.584 -0.312 0.000 1.181 209 A CA 2.392 54.266 52.037 -0.272 0.000 0.623 209 A CB -1.375 17.655 19.000 0.049 0.000 0.818 209 A HN 0.336 nan 8.150 nan 0.000 0.443 210 T N 0.080 114.500 114.554 -0.225 0.000 2.737 210 T HA 0.019 4.369 4.350 -0.000 0.000 0.265 210 T C 2.254 176.757 174.700 -0.328 0.000 1.038 210 T CA 1.507 63.468 62.100 -0.232 0.000 1.144 210 T CB -0.438 68.316 68.868 -0.191 0.000 0.866 210 T HN 0.593 nan 8.240 nan 0.000 0.434 211 A N 1.539 124.058 122.820 -0.502 0.000 1.908 211 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 211 A C 2.297 179.650 177.584 -0.385 0.000 1.181 211 A CA 1.831 53.528 52.037 -0.566 0.000 0.627 211 A CB -0.571 17.763 19.000 -1.109 0.000 0.818 211 A HN 0.391 nan 8.150 nan 0.000 0.445 212 R N -0.380 119.826 120.500 -0.490 0.000 2.073 212 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 212 R C 2.342 178.493 176.300 -0.250 0.000 1.134 212 R CA 1.794 57.651 56.100 -0.405 0.000 0.952 212 R CB -0.284 29.606 30.300 -0.684 0.000 0.850 212 R HN 0.792 nan 8.270 nan 0.000 0.433 213 E N -0.227 119.826 120.200 -0.245 0.000 2.077 213 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 213 E C 1.753 178.292 176.600 -0.103 0.000 0.989 213 E CA 1.577 57.888 56.400 -0.148 0.000 0.800 213 E CB -0.008 29.613 29.700 -0.131 0.000 0.746 213 E HN 0.174 nan 8.360 nan 0.000 0.452 214 V N 0.971 120.814 119.914 -0.118 0.000 2.427 214 V HA -0.215 3.904 4.120 -0.000 0.000 0.248 214 V C 2.383 178.453 176.094 -0.040 0.000 1.051 214 V CA 2.076 64.328 62.300 -0.079 0.000 1.048 214 V CB -0.630 31.135 31.823 -0.097 0.000 0.666 214 V HN 0.418 nan 8.190 nan 0.000 0.456 215 T N 0.345 114.880 114.554 -0.032 0.000 2.708 215 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 215 T C 1.880 176.596 174.700 0.027 0.000 1.037 215 T CA 1.307 63.421 62.100 0.023 0.000 1.146 215 T CB -0.256 68.648 68.868 0.060 0.000 0.865 215 T HN 0.119 nan 8.240 nan 0.000 0.435 216 L N 1.281 122.500 121.223 -0.007 0.000 2.005 216 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 216 L C 2.410 179.322 176.870 0.071 0.000 1.072 216 L CA 1.751 56.604 54.840 0.023 0.000 0.744 216 L CB -0.995 41.052 42.059 -0.020 0.000 0.895 216 L HN 0.221 nan 8.230 nan 0.000 0.433 217 K N -1.223 119.191 120.400 0.023 0.000 2.097 217 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 217 K C 1.854 178.470 176.600 0.025 0.000 1.050 217 K CA 1.703 58.002 56.287 0.019 0.000 0.938 217 K CB 0.054 32.549 32.500 -0.009 0.000 0.718 217 K HN 0.262 nan 8.250 nan 0.000 0.442 218 T N 0.672 115.241 114.554 0.024 0.000 2.821 218 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 218 T C 1.324 176.042 174.700 0.031 0.000 1.046 218 T CA 1.163 63.269 62.100 0.010 0.000 1.139 218 T CB -0.318 68.542 68.868 -0.013 0.000 0.871 218 T HN 0.286 nan 8.240 nan 0.000 0.454 219 F N 2.247 122.160 119.950 -0.062 0.000 2.102 219 F HA 0.005 4.532 4.527 0.000 0.000 0.298 219 F C 2.426 178.200 175.800 -0.044 0.000 1.105 219 F CA 1.129 59.095 58.000 -0.058 0.000 1.239 219 F CB -0.506 38.462 39.000 -0.054 0.000 0.991 219 F HN 0.136 nan 8.300 nan 0.000 0.474 220 A N -0.411 122.441 122.820 0.055 0.000 1.968 220 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 220 A C 2.050 179.578 177.584 -0.094 0.000 1.169 220 A CA 1.760 53.775 52.037 -0.036 0.000 0.638 220 A CB -0.601 18.432 19.000 0.055 0.000 0.812 220 A HN 0.568 nan 8.150 nan 0.000 0.446 221 E N -0.700 119.462 120.200 -0.065 0.000 2.364 221 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 221 E C -0.370 176.189 176.600 -0.068 0.000 0.990 221 E CA -0.164 56.203 56.400 -0.054 0.000 0.886 221 E CB 0.159 29.843 29.700 -0.027 0.000 0.866 221 E HN 0.491 nan 8.360 nan 0.000 0.493 222 D N 1.485 121.829 120.400 -0.093 0.000 2.383 222 D HA -0.033 4.607 4.640 -0.000 0.000 0.252 222 D C -0.300 175.943 176.300 -0.095 0.000 1.166 222 D CA 0.040 53.991 54.000 -0.082 0.000 0.879 222 D CB 0.433 41.184 40.800 -0.083 0.000 1.164 222 D HN -0.129 nan 8.370 nan 0.000 0.462 223 N N 3.125 121.796 118.700 -0.048 0.000 2.508 223 N HA -0.027 4.713 4.740 -0.000 0.000 0.253 223 N C -0.957 174.539 175.510 -0.024 0.000 1.145 223 N CA -0.068 52.964 53.050 -0.030 0.000 0.973 223 N CB 0.260 38.756 38.487 0.015 0.000 1.305 223 N HN 0.215 nan 8.380 nan 0.000 0.506 224 S N 2.563 118.227 115.700 -0.060 0.000 2.510 224 S HA 0.302 4.772 4.470 -0.000 0.000 0.279 224 S C 1.262 175.844 174.600 -0.030 0.000 1.284 224 S CA -0.320 57.844 58.200 -0.059 0.000 1.059 224 S CB 0.684 63.822 63.200 -0.103 0.000 0.901 224 S HN 0.570 nan 8.310 nan 0.000 0.491 225 A N 4.094 126.887 122.820 -0.045 0.000 2.072 225 A HA 0.382 4.702 4.320 -0.000 0.000 0.216 225 A C 0.839 178.399 177.584 -0.040 0.000 1.156 225 A CA 0.740 52.719 52.037 -0.097 0.000 0.701 225 A CB -0.421 18.494 19.000 -0.143 0.000 0.816 225 A HN 1.572 nan 8.150 nan 0.000 0.458 226 S N -4.088 111.613 115.700 0.002 0.000 2.688 226 S HA 0.239 4.709 4.470 -0.000 0.000 0.269 226 S C 0.316 174.894 174.600 -0.036 0.000 1.060 226 S CA -0.033 58.188 58.200 0.036 0.000 0.844 226 S CB 0.392 63.659 63.200 0.112 0.000 1.095 226 S HN 0.294 nan 8.310 nan 0.000 0.466 227 V N 1.596 121.461 119.914 -0.081 0.000 2.358 227 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 227 V C 2.739 178.810 176.094 -0.039 0.000 1.047 227 V CA 2.489 64.752 62.300 -0.060 0.000 1.035 227 V CB -1.242 30.533 31.823 -0.080 0.000 0.658 227 V HN 0.873 nan 8.190 nan 0.000 0.452 228 Q N 0.505 120.287 119.800 -0.030 0.000 2.045 228 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 228 Q C 2.321 178.326 176.000 0.008 0.000 0.991 228 Q CA 2.397 58.197 55.803 -0.004 0.000 0.851 228 Q CB -0.746 27.992 28.738 0.001 0.000 0.911 228 Q HN 0.658 nan 8.270 nan 0.000 0.418 229 A N -0.588 122.228 122.820 -0.008 0.000 1.968 229 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 229 A C 2.210 179.805 177.584 0.018 0.000 1.169 229 A CA 1.712 53.748 52.037 -0.002 0.000 0.638 229 A CB -0.671 18.309 19.000 -0.034 0.000 0.812 229 A HN 0.375 nan 8.150 nan 0.000 0.446 230 T N 0.717 115.260 114.554 -0.019 0.000 2.857 230 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 230 T C 2.004 176.654 174.700 -0.084 0.000 1.048 230 T CA 1.661 63.738 62.100 -0.039 0.000 1.139 230 T CB -0.356 68.485 68.868 -0.047 0.000 0.874 230 T HN 0.728 nan 8.240 nan 0.000 0.455 231 M N -0.327 119.204 119.600 -0.115 0.000 2.254 231 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 231 M C 2.218 178.390 176.300 -0.213 0.000 1.066 231 M CA 1.554 56.673 55.300 -0.302 0.000 1.123 231 M CB -0.845 31.592 32.600 -0.272 0.000 1.388 231 M HN 0.176 nan 8.290 nan 0.000 0.425 232 Y N 2.103 122.323 120.300 -0.134 0.000 2.165 232 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 232 Y C 2.181 178.039 175.900 -0.071 0.000 1.155 232 Y CA 2.000 60.057 58.100 -0.072 0.000 1.164 232 Y CB -0.156 38.278 38.460 -0.044 0.000 0.978 232 Y HN 0.224 nan 8.280 nan 0.000 0.513 233 K N -0.393 120.015 120.400 0.014 0.000 2.103 233 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 233 K C 2.024 178.551 176.600 -0.122 0.000 1.048 233 K CA 2.030 58.294 56.287 -0.039 0.000 0.930 233 K CB -0.287 32.208 32.500 -0.008 0.000 0.716 233 K HN 0.450 nan 8.250 nan 0.000 0.444 234 M N 0.291 119.790 119.600 -0.168 0.000 2.077 234 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 234 M C 2.517 178.777 176.300 -0.067 0.000 1.070 234 M CA 1.600 56.814 55.300 -0.143 0.000 1.125 234 M CB -0.420 32.007 32.600 -0.289 0.000 1.339 234 M HN 0.173 nan 8.290 nan 0.000 0.409 235 A N 0.096 122.874 122.820 -0.070 0.000 1.908 235 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 235 A C 1.982 179.466 177.584 -0.168 0.000 1.181 235 A CA 2.129 54.159 52.037 -0.012 0.000 0.627 235 A CB -0.848 18.134 19.000 -0.030 0.000 0.818 235 A HN 0.558 nan 8.150 nan 0.000 0.445 236 E N -0.486 119.530 120.200 -0.306 0.000 2.051 236 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 236 E C 2.246 178.758 176.600 -0.146 0.000 0.991 236 E CA 1.535 57.778 56.400 -0.262 0.000 0.799 236 E CB -0.148 29.382 29.700 -0.283 0.000 0.748 236 E HN 0.769 nan 8.360 nan 0.000 0.449 237 Q N -0.007 119.721 119.800 -0.119 0.000 2.084 237 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 237 Q C 2.291 178.225 176.000 -0.109 0.000 0.978 237 Q CA 1.450 57.197 55.803 -0.094 0.000 0.844 237 Q CB -0.094 28.596 28.738 -0.080 0.000 0.898 237 Q HN 0.396 nan 8.270 nan 0.000 0.426 238 I N 0.458 120.953 120.570 -0.124 0.000 2.179 238 I HA -0.294 3.875 4.170 -0.000 0.000 0.242 238 I C 2.086 178.103 176.117 -0.166 0.000 1.088 238 I CA 1.072 62.270 61.300 -0.170 0.000 1.357 238 I CB -0.208 37.671 38.000 -0.201 0.000 1.051 238 I HN 0.192 nan 8.210 nan 0.000 0.409 239 L N 0.458 121.598 121.223 -0.138 0.000 2.131 239 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 239 L C 2.669 179.480 176.870 -0.098 0.000 1.092 239 L CA 1.224 55.991 54.840 -0.121 0.000 0.759 239 L CB -0.590 41.407 42.059 -0.104 0.000 0.903 239 L HN 0.255 nan 8.230 nan 0.000 0.435 240 A N -0.677 122.089 122.820 -0.090 0.000 2.066 240 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 240 A C 2.277 179.822 177.584 -0.064 0.000 1.157 240 A CA 0.949 52.947 52.037 -0.066 0.000 0.670 240 A CB -0.220 18.745 19.000 -0.057 0.000 0.804 240 A HN 0.313 nan 8.150 nan 0.000 0.453 241 R N -1.722 118.726 120.500 -0.086 0.000 2.397 241 R HA 0.126 4.466 4.340 -0.000 0.000 0.241 241 R C -0.174 176.082 176.300 -0.073 0.000 0.914 241 R CA 0.190 56.245 56.100 -0.075 0.000 1.071 241 R CB 0.459 30.706 30.300 -0.088 0.000 1.116 241 R HN 0.428 nan 8.270 nan 0.000 0.524 242 Q N 0.322 120.067 119.800 -0.092 0.000 2.483 242 Q HA 0.074 4.414 4.340 -0.000 0.000 0.245 242 Q C -0.234 175.722 176.000 -0.073 0.000 0.902 242 Q CA -0.164 55.592 55.803 -0.078 0.000 0.767 242 Q CB 1.757 30.411 28.738 -0.140 0.000 1.341 242 Q HN -0.108 nan 8.270 nan 0.000 0.453 243 Q N 3.222 123.008 119.800 -0.023 0.000 2.369 243 Q HA 0.056 4.396 4.340 -0.000 0.000 0.206 243 Q C 0.445 176.441 176.000 -0.007 0.000 0.963 243 Q CA 1.024 56.817 55.803 -0.017 0.000 0.894 243 Q CB 0.254 28.995 28.738 0.004 0.000 0.965 243 Q HN 0.695 nan 8.270 nan 0.000 0.475 244 L N 0.489 121.731 121.223 0.031 0.000 2.551 244 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 244 L C 0.064 176.945 176.870 0.019 0.000 1.153 244 L CA 0.558 55.457 54.840 0.097 0.000 0.851 244 L CB -0.490 41.747 42.059 0.297 0.000 0.959 244 L HN 0.235 nan 8.230 nan 0.000 0.451 245 I N -0.431 120.043 120.570 -0.161 0.000 2.395 245 I HA 0.059 4.229 4.170 -0.000 0.000 0.289 245 I C 1.456 177.496 176.117 -0.128 0.000 1.023 245 I CA 0.197 61.342 61.300 -0.258 0.000 1.350 245 I CB 0.931 38.737 38.000 -0.323 0.000 1.409 245 I HN 0.213 nan 8.210 nan 0.000 0.507 246 E N 2.763 122.902 120.200 -0.101 0.000 2.162 246 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 246 E C 0.105 176.673 176.600 -0.054 0.000 0.953 246 E CA 0.691 57.054 56.400 -0.061 0.000 0.849 246 E CB 0.513 30.187 29.700 -0.044 0.000 0.810 246 E HN 0.801 nan 8.360 nan 0.000 0.470 247 T N -1.795 112.726 114.554 -0.056 0.000 2.896 247 T HA 0.598 4.947 4.350 -0.000 0.000 0.297 247 T C -0.678 174.004 174.700 -0.030 0.000 1.108 247 T CA -0.904 61.175 62.100 -0.036 0.000 1.004 247 T CB 2.214 71.069 68.868 -0.022 0.000 1.159 247 T HN -0.173 nan 8.240 nan 0.000 0.499 248 V N 1.441 121.347 119.914 -0.013 0.000 2.531 248 V HA 0.643 4.763 4.120 -0.000 0.000 0.301 248 V C -0.403 175.700 176.094 0.014 0.000 1.034 248 V CA -0.710 61.593 62.300 0.005 0.000 0.865 248 V CB 1.528 33.357 31.823 0.009 0.000 0.995 248 V HN 1.078 nan 8.190 nan 0.000 0.424 249 E N 3.204 123.385 120.200 -0.031 0.000 2.210 249 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 249 E C -2.036 174.518 176.600 -0.077 0.000 0.883 249 E CA -0.564 55.831 56.400 -0.008 0.000 0.761 249 E CB 1.757 31.443 29.700 -0.023 0.000 1.156 249 E HN 0.614 nan 8.360 nan 0.000 0.412 250 Y N 1.582 121.895 120.300 0.022 0.000 2.429 250 Y HA 0.397 4.947 4.550 0.000 0.000 0.342 250 Y C -0.244 175.662 175.900 0.011 0.000 1.004 250 Y CA -0.497 57.616 58.100 0.021 0.000 1.075 250 Y CB 2.469 40.941 38.460 0.019 0.000 1.214 250 Y HN 0.393 nan 8.280 nan 0.000 0.455 251 S N 4.117 119.912 115.700 0.159 0.000 2.707 251 S HA 0.678 5.148 4.470 -0.000 0.000 0.303 251 S C -2.074 172.575 174.600 0.081 0.000 1.132 251 S CA -0.456 57.797 58.200 0.087 0.000 1.046 251 S CB 0.170 63.391 63.200 0.034 0.000 1.004 251 S HN 0.463 nan 8.310 nan 0.000 0.483 252 L N 7.229 128.487 121.223 0.058 0.000 2.406 252 L HA 0.603 4.942 4.340 -0.000 0.000 0.270 252 L C -2.257 174.606 176.870 -0.012 0.000 0.982 252 L CA -1.813 53.046 54.840 0.032 0.000 0.843 252 L CB 1.999 44.078 42.059 0.034 0.000 1.225 252 L HN 0.458 nan 8.230 nan 0.000 0.412 253 P HA 0.133 nan 4.420 nan 0.000 0.274 253 P C -0.772 176.468 177.300 -0.099 0.000 1.231 253 P CA -0.414 62.645 63.100 -0.068 0.000 0.790 253 P CB 0.965 32.624 31.700 -0.069 0.000 0.951 254 N N 1.874 120.470 118.700 -0.173 0.000 2.546 254 N HA 0.130 4.870 4.740 -0.000 0.000 0.238 254 N C -0.819 174.408 175.510 -0.473 0.000 0.984 254 N CA -0.324 52.577 53.050 -0.248 0.000 0.935 254 N CB 0.132 38.487 38.487 -0.221 0.000 1.122 254 N HN 0.152 nan 8.380 nan 0.000 0.510 255 K N 3.307 123.555 120.400 -0.253 0.000 2.273 255 K HA 0.180 4.500 4.320 -0.000 0.000 0.287 255 K C -0.354 176.179 176.600 -0.112 0.000 1.089 255 K CA -0.564 55.593 56.287 -0.216 0.000 0.909 255 K CB 0.470 32.951 32.500 -0.033 0.000 1.123 255 K HN 0.481 nan 8.250 nan 0.000 0.473 256 H N 2.197 121.271 119.070 0.005 0.000 2.764 256 H HA 0.039 4.595 4.556 -0.000 0.000 0.341 256 H C -0.575 174.757 175.328 0.007 0.000 1.072 256 H CA 0.266 56.355 56.048 0.068 0.000 1.444 256 H CB 0.339 30.100 29.762 -0.002 0.000 1.458 256 H HN 0.388 nan 8.280 nan 0.000 0.572 257 Y N 2.617 123.029 120.300 0.187 0.000 2.345 257 Y HA 0.166 4.716 4.550 -0.000 0.000 0.331 257 Y C -0.302 175.892 175.900 0.490 0.000 0.959 257 Y CA -0.636 57.577 58.100 0.188 0.000 1.204 257 Y CB 0.517 39.002 38.460 0.042 0.000 1.135 257 Y HN 0.383 nan 8.280 nan 0.000 0.477 258 F N 1.957 122.117 119.950 0.351 0.000 2.385 258 F HA 0.312 4.839 4.527 -0.000 0.000 0.336 258 F C 0.852 176.846 175.800 0.323 0.000 1.100 258 F CA -1.759 56.418 58.000 0.295 0.000 1.116 258 F CB 0.860 39.949 39.000 0.149 0.000 1.166 258 F HN 0.464 nan 8.300 nan 0.000 0.511 259 E N 2.445 122.850 120.200 0.342 0.000 2.404 259 E HA 0.227 4.577 4.350 -0.000 0.000 0.261 259 E C -0.661 175.947 176.600 0.014 0.000 1.074 259 E CA 0.062 56.435 56.400 -0.044 0.000 0.917 259 E CB 0.936 30.600 29.700 -0.060 0.000 0.965 259 E HN 0.365 nan 8.360 nan 0.000 0.433 260 I N 2.078 122.600 120.570 -0.080 0.000 2.410 260 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 260 I C -0.474 175.659 176.117 0.026 0.000 1.009 260 I CA -0.817 60.498 61.300 0.025 0.000 1.111 260 I CB 1.510 39.535 38.000 0.041 0.000 1.262 260 I HN 0.381 nan 8.210 nan 0.000 0.443 261 D N 7.016 127.471 120.400 0.092 0.000 2.317 261 D HA 0.246 4.886 4.640 -0.000 0.000 0.252 261 D C 0.255 176.666 176.300 0.186 0.000 1.174 261 D CA 0.156 54.220 54.000 0.108 0.000 0.866 261 D CB 1.207 42.085 40.800 0.129 0.000 1.127 261 D HN 0.462 nan 8.370 nan 0.000 0.467 262 L N 2.919 124.149 121.223 0.011 0.000 2.808 262 L HA 0.042 4.382 4.340 -0.000 0.000 0.246 262 L C 2.059 178.704 176.870 -0.374 0.000 1.153 262 L CA -0.025 54.670 54.840 -0.241 0.000 0.956 262 L CB 0.058 41.991 42.059 -0.209 0.000 1.270 262 L HN 0.401 nan 8.230 nan 0.000 0.528 263 S N 0.412 116.048 115.700 -0.107 0.000 2.442 263 S HA -0.190 4.280 4.470 -0.000 0.000 0.236 263 S C 1.776 176.346 174.600 -0.050 0.000 1.007 263 S CA 0.592 58.751 58.200 -0.068 0.000 0.965 263 S CB -0.533 62.678 63.200 0.019 0.000 0.773 263 S HN 0.691 nan 8.310 nan 0.000 0.504 264 W N 1.727 123.056 121.300 0.049 0.000 2.424 264 W HA 0.065 4.725 4.660 -0.000 0.000 0.264 264 W C 0.692 177.256 176.519 0.076 0.000 1.229 264 W CA 0.603 57.978 57.345 0.050 0.000 1.208 264 W CB -1.156 28.333 29.460 0.049 0.000 1.127 264 W HN 0.539 nan 8.180 nan 0.000 0.588 265 H N 1.627 120.270 119.070 -0.712 0.000 2.691 265 H HA 0.257 4.812 4.556 -0.000 0.000 0.281 265 H C 0.550 175.674 175.328 -0.340 0.000 1.121 265 H CA -0.623 55.035 56.048 -0.651 0.000 1.254 265 H CB -0.011 29.034 29.762 -1.196 0.000 1.390 265 H HN -0.021 nan 8.280 nan 0.000 0.491 266 K N 3.684 123.827 120.400 -0.427 0.000 3.069 266 K HA -0.218 4.102 4.320 -0.000 0.000 0.267 266 K C 0.880 177.383 176.600 -0.163 0.000 1.082 266 K CA 0.715 56.821 56.287 -0.301 0.000 0.782 266 K CB -1.582 30.689 32.500 -0.382 0.000 1.230 266 K HN 1.114 nan 8.250 nan 0.000 0.488 267 G N 0.061 108.787 108.800 -0.123 0.000 2.203 267 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.263 267 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.263 267 G C 0.093 174.947 174.900 -0.077 0.000 1.012 267 G CA 0.231 45.284 45.100 -0.077 0.000 0.749 267 G HN 0.218 nan 8.290 nan 0.000 0.512 268 L N 0.387 121.549 121.223 -0.102 0.000 2.540 268 L HA 0.247 4.587 4.340 -0.000 0.000 0.276 268 L C 0.600 177.428 176.870 -0.071 0.000 1.212 268 L CA 0.359 55.151 54.840 -0.081 0.000 0.893 268 L CB 0.690 42.691 42.059 -0.097 0.000 1.138 268 L HN 0.284 nan 8.230 nan 0.000 0.491 269 Q N 3.964 123.734 119.800 -0.049 0.000 2.368 269 Q HA 0.219 4.558 4.340 -0.000 0.000 0.256 269 Q C -0.146 175.829 176.000 -0.041 0.000 0.980 269 Q CA 0.040 55.821 55.803 -0.037 0.000 0.887 269 Q CB 0.846 29.570 28.738 -0.023 0.000 1.221 269 Q HN 0.532 nan 8.270 nan 0.000 0.458 270 N N 1.049 119.718 118.700 -0.052 0.000 2.307 270 N HA 0.025 4.765 4.740 -0.000 0.000 0.248 270 N C -1.075 174.373 175.510 -0.104 0.000 1.322 270 N CA 0.082 53.085 53.050 -0.079 0.000 0.861 270 N CB 0.862 39.293 38.487 -0.093 0.000 1.303 270 N HN 0.483 nan 8.380 nan 0.000 0.498 271 T N -4.528 109.992 114.554 -0.056 0.000 2.926 271 T HA 0.762 5.112 4.350 -0.000 0.000 0.289 271 T C 1.089 175.791 174.700 0.004 0.000 1.054 271 T CA -0.165 61.910 62.100 -0.042 0.000 1.015 271 T CB 1.436 70.296 68.868 -0.012 0.000 1.167 271 T HN 0.168 nan 8.240 nan 0.000 0.526 272 G N 1.459 110.285 108.800 0.044 0.000 2.685 272 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.329 272 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.329 272 G C 0.805 175.754 174.900 0.082 0.000 1.271 272 G CA 0.913 46.061 45.100 0.080 0.000 1.003 272 G HN 0.938 nan 8.290 nan 0.000 0.549 273 K N 1.015 121.452 120.400 0.061 0.000 2.439 273 K HA 0.045 4.365 4.320 -0.000 0.000 0.197 273 K C 1.881 178.512 176.600 0.052 0.000 1.041 273 K CA 1.123 57.446 56.287 0.061 0.000 0.970 273 K CB -0.138 32.386 32.500 0.039 0.000 0.773 273 K HN 0.475 nan 8.250 nan 0.000 0.479 274 N N 0.132 118.852 118.700 0.034 0.000 2.230 274 N HA 0.093 4.833 4.740 -0.000 0.000 0.202 274 N C -0.656 174.859 175.510 0.009 0.000 1.119 274 N CA -0.341 52.721 53.050 0.020 0.000 0.851 274 N CB 0.857 39.345 38.487 0.002 0.000 0.990 274 N HN 0.044 nan 8.380 nan 0.000 0.497 275 A N 0.907 123.736 122.820 0.015 0.000 2.522 275 A HA 0.067 4.387 4.320 -0.000 0.000 0.256 275 A C 0.682 178.294 177.584 0.047 0.000 1.086 275 A CA 0.428 52.419 52.037 -0.077 0.000 0.763 275 A CB 0.203 19.149 19.000 -0.090 0.000 1.024 275 A HN 0.358 nan 8.150 nan 0.000 0.502 276 E N 1.460 121.651 120.200 -0.015 0.000 2.502 276 E HA 0.138 4.488 4.350 -0.000 0.000 0.206 276 E C -0.690 176.027 176.600 0.196 0.000 0.821 276 E CA 0.103 56.589 56.400 0.142 0.000 1.354 276 E CB 0.913 30.663 29.700 0.084 0.000 1.336 276 E HN 0.481 nan 8.360 nan 0.000 0.675 277 V N 2.383 122.314 119.914 0.029 0.000 2.370 277 V HA 0.379 4.499 4.120 -0.000 0.000 0.283 277 V C -0.881 175.211 176.094 -0.003 0.000 1.023 277 V CA -0.378 61.981 62.300 0.097 0.000 0.857 277 V CB 0.633 32.482 31.823 0.044 0.000 0.985 277 V HN 0.036 nan 8.190 nan 0.000 0.443 278 F N 2.058 122.090 119.950 0.137 0.000 2.579 278 F HA 0.803 5.330 4.527 -0.000 0.000 0.324 278 F C 0.389 176.281 175.800 0.154 0.000 1.058 278 F CA -0.914 57.195 58.000 0.182 0.000 0.944 278 F CB 1.939 41.096 39.000 0.262 0.000 1.245 278 F HN 0.469 nan 8.300 nan 0.000 0.477 279 A N 2.831 125.847 122.820 0.326 0.000 2.273 279 A HA 0.692 5.012 4.320 -0.000 0.000 0.320 279 A C -2.769 174.798 177.584 -0.028 0.000 1.358 279 A CA -1.771 50.348 52.037 0.137 0.000 0.910 279 A CB -0.089 18.976 19.000 0.109 0.000 1.159 279 A HN 0.366 nan 8.150 nan 0.000 0.526 280 P HA 0.119 nan 4.420 nan 0.000 0.268 280 P C -0.658 176.376 177.300 -0.444 0.000 1.204 280 P CA 0.227 62.925 63.100 -0.669 0.000 0.768 280 P CB 0.561 31.870 31.700 -0.650 0.000 0.842 281 Q N 1.747 121.250 119.800 -0.495 0.000 2.290 281 Q HA 0.233 4.573 4.340 -0.000 0.000 0.259 281 Q C 0.806 176.645 176.000 -0.268 0.000 0.941 281 Q CA -0.197 55.370 55.803 -0.392 0.000 0.912 281 Q CB 1.578 29.981 28.738 -0.558 0.000 1.244 281 Q HN 0.370 nan 8.270 nan 0.000 0.441 282 S N 1.896 117.485 115.700 -0.186 0.000 2.387 282 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 282 S C 0.233 174.772 174.600 -0.102 0.000 1.026 282 S CA 1.393 59.515 58.200 -0.130 0.000 0.972 282 S CB 0.120 63.265 63.200 -0.092 0.000 0.814 282 S HN 0.799 nan 8.310 nan 0.000 0.477 283 D N -0.750 119.597 120.400 -0.089 0.000 2.622 283 D HA 0.458 5.098 4.640 -0.000 0.000 0.255 283 D C -2.999 173.284 176.300 -0.028 0.000 1.246 283 D CA -1.514 52.458 54.000 -0.048 0.000 0.795 283 D CB 0.305 41.087 40.800 -0.031 0.000 1.369 283 D HN -0.094 nan 8.370 nan 0.000 0.425 284 P HA 0.276 nan 4.420 nan 0.000 0.286 284 P C -1.000 176.344 177.300 0.074 0.000 1.293 284 P CA -0.558 62.566 63.100 0.039 0.000 0.770 284 P CB 0.337 32.071 31.700 0.058 0.000 1.206 285 N N -2.134 116.594 118.700 0.046 0.000 2.277 285 N HA 0.314 5.054 4.740 -0.000 0.000 0.286 285 N C -0.200 175.324 175.510 0.022 0.000 1.140 285 N CA -0.708 52.331 53.050 -0.018 0.000 0.799 285 N CB 1.532 39.941 38.487 -0.129 0.000 1.596 285 N HN 0.488 nan 8.380 nan 0.000 0.473 286 G N 0.065 108.874 108.800 0.015 0.000 2.544 286 G HA2 0.379 4.339 3.960 -0.000 0.000 0.242 286 G HA3 0.379 4.339 3.960 -0.000 0.000 0.242 286 G C -0.762 174.111 174.900 -0.046 0.000 1.247 286 G CA -0.197 44.911 45.100 0.013 0.000 0.840 286 G HN 0.507 nan 8.290 nan 0.000 0.578 287 L N 1.808 123.015 121.223 -0.028 0.000 2.406 287 L HA 0.687 5.027 4.340 -0.000 0.000 0.272 287 L C -1.094 175.764 176.870 -0.019 0.000 0.980 287 L CA -0.763 54.061 54.840 -0.026 0.000 0.831 287 L CB 1.780 43.829 42.059 -0.017 0.000 1.253 287 L HN 0.388 nan 8.230 nan 0.000 0.406 288 I N 4.776 125.337 120.570 -0.015 0.000 2.466 288 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 288 I C -0.462 175.669 176.117 0.023 0.000 1.026 288 I CA -0.301 60.997 61.300 -0.004 0.000 1.078 288 I CB 1.826 39.813 38.000 -0.021 0.000 1.249 288 I HN 0.459 nan 8.210 nan 0.000 0.429 289 K N 4.472 124.891 120.400 0.031 0.000 2.375 289 K HA 0.841 5.161 4.320 -0.000 0.000 0.249 289 K C -1.600 175.039 176.600 0.066 0.000 0.942 289 K CA -0.732 55.587 56.287 0.053 0.000 0.806 289 K CB 2.624 35.145 32.500 0.036 0.000 1.227 289 K HN 0.576 nan 8.250 nan 0.000 0.430 290 C N 1.259 120.617 119.300 0.097 0.000 2.782 290 C HA 0.486 4.946 4.460 -0.000 0.000 0.328 290 C C -1.029 174.025 174.990 0.107 0.000 1.145 290 C CA -0.188 58.895 59.018 0.107 0.000 1.358 290 C CB 1.618 29.444 27.740 0.143 0.000 1.841 290 C HN 0.831 nan 8.230 nan 0.000 0.477 291 T N 4.423 119.027 114.554 0.083 0.000 2.770 291 T HA 0.571 4.921 4.350 -0.000 0.000 0.283 291 T C -0.560 174.182 174.700 0.069 0.000 0.988 291 T CA -0.325 61.812 62.100 0.063 0.000 0.957 291 T CB 1.212 70.102 68.868 0.035 0.000 0.930 291 T HN 0.534 nan 8.240 nan 0.000 0.443 292 V N 2.776 122.722 119.914 0.053 0.000 2.459 292 V HA 0.891 5.011 4.120 -0.000 0.000 0.295 292 V C 0.634 176.729 176.094 0.001 0.000 1.029 292 V CA -0.473 61.846 62.300 0.030 0.000 0.874 292 V CB 1.740 33.528 31.823 -0.058 0.000 0.985 292 V HN 1.033 nan 8.190 nan 0.000 0.438 293 G N 3.530 112.336 108.800 0.009 0.000 3.105 293 G HA2 0.646 4.606 3.960 -0.000 0.000 0.277 293 G HA3 0.646 4.606 3.960 -0.000 0.000 0.277 293 G C -1.066 173.832 174.900 -0.004 0.000 1.375 293 G CA -1.048 44.049 45.100 -0.004 0.000 0.962 293 G HN 0.542 nan 8.290 nan 0.000 0.541 294 R N -0.298 120.198 120.500 -0.008 0.000 2.459 294 R HA 0.544 4.884 4.340 -0.000 0.000 0.281 294 R C -0.116 176.189 176.300 0.008 0.000 1.050 294 R CA -0.217 55.880 56.100 -0.005 0.000 1.055 294 R CB 1.331 31.623 30.300 -0.013 0.000 1.045 294 R HN 0.531 nan 8.270 nan 0.000 0.495 295 S N 0.582 116.290 115.700 0.013 0.000 2.690 295 S HA 0.866 5.336 4.470 -0.000 0.000 0.291 295 S C -0.107 174.501 174.600 0.012 0.000 1.138 295 S CA -0.581 57.630 58.200 0.019 0.000 1.013 295 S CB 1.855 65.072 63.200 0.028 0.000 1.053 295 S HN 0.836 nan 8.310 nan 0.000 0.539 296 S N 0.000 115.708 115.700 0.013 0.000 2.498 296 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 296 S CA 0.000 nan 58.200 nan 0.000 1.107 296 S CB 0.000 nan 63.200 nan 0.000 0.593 296 S HN 0.000 nan 8.310 nan 0.000 0.517