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 1dp4_1_C DATA FIRST_RESID 1 DATA SEQUENCE SDLTVAVVLP LTNTSYPWSW ARVGPAVELA LARVKARPDL LPGWTVRMVL DATA SEQUENCE GSSENAAGVc SDTAAPLAAV DLKWEHSPAV FLGPGcVYSA APVGRFTAHW DATA SEQUENCE RVPLLTAGAP ALGIGVKDEY ALTTRTGPSH VKLGDFVTAL HRRLGWEHQA DATA SEQUENCE LVLYADRLGD DRPcFFIVEG LYMRVRERLN ITVNHQEFVE GDPDHYPKLL DATA SEQUENCE RAVRRKGRVI YIcSSPDAFR NLMLLALNAG LTGEDYVFFH LDVFGQSLKX DATA SEQUENCE XXXXXPQKPW ERGDGQDRSA RQAFQAAKII TYKEPDNPEY LEFLKQLKLL DATA SEQUENCE ADKKFNFTVE DGLKNIIPAS FHDGLLLYVQ AVTETLAQGG TVTDGENITQ DATA SEQUENCE RMWNRSFQGV TGYLKIDRNG DRDTDFSLWD MDPETGAFRV VLNYNGTSQE DATA SEQUENCE LMAVSEHKLY WPLGYPPPDV PKcGFDNEDP AcNQD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.460 174.600 -0.233 0.000 1.055 1 S CA 0.000 57.838 58.200 -0.603 0.000 1.107 1 S CB 0.000 62.408 63.200 -1.321 0.000 0.593 2 D N 1.796 122.206 120.400 0.018 0.000 2.225 2 D HA 0.355 4.995 4.640 0.000 0.000 0.248 2 D C -0.624 175.916 176.300 0.401 0.000 1.096 2 D CA -0.190 53.926 54.000 0.192 0.000 0.863 2 D CB 1.353 42.205 40.800 0.087 0.000 1.156 2 D HN 0.400 nan 8.370 nan 0.000 0.450 3 L N 2.507 123.945 121.223 0.358 0.000 2.272 3 L HA 0.250 4.590 4.340 0.000 0.000 0.284 3 L C -0.403 176.532 176.870 0.108 0.000 1.045 3 L CA -0.298 54.672 54.840 0.216 0.000 0.842 3 L CB 0.557 42.692 42.059 0.127 0.000 1.224 3 L HN 0.176 nan 8.230 nan 0.000 0.430 4 T N 3.955 118.542 114.554 0.054 0.000 2.780 4 T HA 0.298 4.648 4.350 0.000 0.000 0.294 4 T C -0.089 174.559 174.700 -0.086 0.000 0.949 4 T CA -0.242 61.842 62.100 -0.026 0.000 1.074 4 T CB 1.290 70.126 68.868 -0.054 0.000 0.910 4 T HN 0.281 nan 8.240 nan 0.000 0.501 5 V N 3.331 123.181 119.914 -0.106 0.000 2.347 5 V HA 0.592 4.712 4.120 0.000 0.000 0.280 5 V C 0.398 176.346 176.094 -0.243 0.000 1.021 5 V CA -1.077 61.129 62.300 -0.157 0.000 0.847 5 V CB 1.033 32.813 31.823 -0.071 0.000 0.990 5 V HN 1.045 nan 8.190 nan 0.000 0.444 6 A N 5.564 128.129 122.820 -0.424 0.000 2.276 6 A HA 0.694 5.014 4.320 0.000 0.000 0.300 6 A C -0.334 177.083 177.584 -0.278 0.000 1.235 6 A CA -0.328 51.406 52.037 -0.505 0.000 0.867 6 A CB 0.583 18.912 19.000 -1.118 0.000 1.137 6 A HN 0.647 nan 8.150 nan 0.000 0.527 7 V N 3.512 123.312 119.914 -0.190 0.000 2.427 7 V HA 0.397 4.517 4.120 0.000 0.000 0.286 7 V C -0.238 175.811 176.094 -0.075 0.000 1.034 7 V CA -0.320 61.896 62.300 -0.139 0.000 0.893 7 V CB 1.524 33.122 31.823 -0.374 0.000 0.982 7 V HN 0.582 nan 8.190 nan 0.000 0.452 8 V N 7.221 127.157 119.914 0.036 0.000 2.385 8 V HA 0.545 4.665 4.120 0.000 0.000 0.277 8 V C -0.338 175.770 176.094 0.024 0.000 1.012 8 V CA -0.093 62.236 62.300 0.048 0.000 0.832 8 V CB 0.978 32.886 31.823 0.140 0.000 1.028 8 V HN 0.673 nan 8.190 nan 0.000 0.436 9 L N 4.370 125.580 121.223 -0.023 0.000 2.502 9 L HA 0.598 4.938 4.340 0.000 0.000 0.253 9 L C -2.758 174.138 176.870 0.045 0.000 1.070 9 L CA -2.197 52.669 54.840 0.044 0.000 0.871 9 L CB 3.576 45.679 42.059 0.073 0.000 1.487 9 L HN 0.240 nan 8.230 nan 0.000 0.408 10 P HA 0.169 nan 4.420 nan 0.000 0.273 10 P C 0.456 177.830 177.300 0.123 0.000 1.319 10 P CA 0.117 63.276 63.100 0.099 0.000 0.885 10 P CB 0.217 31.991 31.700 0.124 0.000 1.015 11 L N 2.006 123.269 121.223 0.067 0.000 2.395 11 L HA -0.044 4.296 4.340 0.000 0.000 0.218 11 L C 1.739 178.683 176.870 0.123 0.000 1.130 11 L CA 1.535 56.418 54.840 0.073 0.000 0.826 11 L CB -0.651 41.377 42.059 -0.053 0.000 0.941 11 L HN 0.376 nan 8.230 nan 0.000 0.451 12 T N -5.939 108.675 114.554 0.100 0.000 2.964 12 T HA 0.060 4.410 4.350 0.000 0.000 0.250 12 T C 0.924 175.672 174.700 0.080 0.000 0.982 12 T CA -0.334 61.820 62.100 0.090 0.000 0.959 12 T CB -0.014 68.898 68.868 0.073 0.000 1.141 12 T HN -0.015 nan 8.240 nan 0.000 0.494 13 N N 3.021 121.785 118.700 0.107 0.000 2.430 13 N HA 0.129 4.869 4.740 0.000 0.000 0.265 13 N C 0.851 176.389 175.510 0.046 0.000 1.100 13 N CA 0.482 53.593 53.050 0.102 0.000 0.961 13 N CB 1.665 40.281 38.487 0.216 0.000 1.075 13 N HN 0.502 nan 8.380 nan 0.000 0.478 14 T N -1.012 113.504 114.554 -0.063 0.000 3.122 14 T HA -0.016 4.334 4.350 0.000 0.000 0.250 14 T C 1.470 176.030 174.700 -0.233 0.000 1.067 14 T CA 0.238 62.190 62.100 -0.247 0.000 0.966 14 T CB -0.244 68.404 68.868 -0.367 0.000 1.002 14 T HN 0.383 nan 8.240 nan 0.000 0.542 15 S N -0.356 115.209 115.700 -0.226 0.000 2.562 15 S HA 0.182 4.652 4.470 0.000 0.000 0.221 15 S C 0.057 174.358 174.600 -0.499 0.000 0.975 15 S CA -0.620 57.383 58.200 -0.327 0.000 0.918 15 S CB -0.767 62.201 63.200 -0.386 0.000 0.772 15 S HN 0.603 nan 8.310 nan 0.000 0.531 16 Y N 1.441 121.513 120.300 -0.379 0.000 2.335 16 Y HA 0.426 4.976 4.550 -0.000 0.000 0.323 16 Y C -1.655 173.795 175.900 -0.750 0.000 1.224 16 Y CA -2.463 55.196 58.100 -0.735 0.000 1.241 16 Y CB 0.526 38.330 38.460 -1.094 0.000 1.235 16 Y HN -0.031 nan 8.280 nan 0.000 0.492 17 P HA -0.133 nan 4.420 nan 0.000 0.220 17 P C 0.088 177.340 177.300 -0.081 0.000 1.148 17 P CA 1.467 64.346 63.100 -0.369 0.000 0.803 17 P CB -0.005 31.490 31.700 -0.341 0.000 0.782 18 W N -2.267 119.137 121.300 0.173 0.000 3.223 18 W HA 0.506 5.166 4.660 -0.000 0.000 0.389 18 W C -0.241 176.296 176.519 0.030 0.000 1.118 18 W CA -0.540 56.892 57.345 0.147 0.000 1.902 18 W CB -1.281 28.353 29.460 0.289 0.000 1.094 18 W HN -0.355 nan 8.180 nan 0.000 0.666 19 S N 1.468 117.112 115.700 -0.092 0.000 2.568 19 S HA -0.136 4.334 4.470 0.000 0.000 0.282 19 S C 1.005 175.607 174.600 0.004 0.000 1.338 19 S CA -0.424 57.769 58.200 -0.012 0.000 1.045 19 S CB 0.564 63.694 63.200 -0.117 0.000 0.873 19 S HN 0.506 nan 8.310 nan 0.000 0.516 20 W N 2.487 123.708 121.300 -0.133 0.000 2.364 20 W HA -0.218 4.442 4.660 -0.000 0.000 0.281 20 W C 1.923 178.304 176.519 -0.229 0.000 1.219 20 W CA 1.062 58.319 57.345 -0.145 0.000 1.220 20 W CB -0.239 29.198 29.460 -0.038 0.000 1.127 20 W HN 0.876 nan 8.180 nan 0.000 0.556 21 A N 0.691 123.364 122.820 -0.244 0.000 2.070 21 A HA -0.179 4.141 4.320 0.000 0.000 0.220 21 A C 1.995 179.226 177.584 -0.588 0.000 1.159 21 A CA 1.461 53.226 52.037 -0.453 0.000 0.656 21 A CB -0.484 18.088 19.000 -0.714 0.000 0.800 21 A HN 0.380 nan 8.150 nan 0.000 0.453 22 R N -1.673 118.530 120.500 -0.494 0.000 2.121 22 R HA 0.115 4.455 4.340 0.000 0.000 0.206 22 R C 1.904 177.972 176.300 -0.386 0.000 1.094 22 R CA 0.951 56.850 56.100 -0.335 0.000 1.055 22 R CB -0.181 30.024 30.300 -0.158 0.000 0.964 22 R HN 0.332 nan 8.270 nan 0.000 0.473 23 V N 0.689 120.362 119.914 -0.402 0.000 2.453 23 V HA -0.094 4.026 4.120 0.000 0.000 0.247 23 V C 2.324 177.922 176.094 -0.827 0.000 1.048 23 V CA 2.056 64.099 62.300 -0.429 0.000 1.049 23 V CB -0.757 30.818 31.823 -0.413 0.000 0.672 23 V HN 0.510 nan 8.190 nan 0.000 0.457 24 G N 1.547 109.388 108.800 -1.599 0.000 2.459 24 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 24 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 24 G C 0.126 174.278 174.900 -1.248 0.000 1.183 24 G CA 1.287 45.009 45.100 -2.297 0.000 0.776 24 G HN 0.563 nan 8.290 nan 0.000 0.552 25 P HA -0.023 nan 4.420 nan 0.000 0.218 25 P C 2.008 179.134 177.300 -0.289 0.000 1.149 25 P CA 1.870 64.550 63.100 -0.701 0.000 0.817 25 P CB -0.135 31.151 31.700 -0.689 0.000 0.785 26 A N 0.103 122.778 122.820 -0.242 0.000 1.902 26 A HA -0.108 4.212 4.320 0.000 0.000 0.217 26 A C 2.482 180.189 177.584 0.205 0.000 1.181 26 A CA 1.726 53.847 52.037 0.140 0.000 0.623 26 A CB -1.647 17.527 19.000 0.289 0.000 0.818 26 A HN 0.062 nan 8.150 nan 0.000 0.443 27 V N -0.190 119.726 119.914 0.003 0.000 2.427 27 V HA -0.243 3.877 4.120 0.000 0.000 0.248 27 V C 2.474 178.613 176.094 0.075 0.000 1.051 27 V CA 2.253 64.587 62.300 0.056 0.000 1.048 27 V CB -0.615 31.239 31.823 0.052 0.000 0.666 27 V HN 0.744 nan 8.190 nan 0.000 0.456 28 E N -0.020 120.208 120.200 0.046 0.000 2.077 28 E HA -0.209 4.141 4.350 0.000 0.000 0.193 28 E C 2.228 178.894 176.600 0.109 0.000 0.989 28 E CA 1.264 57.723 56.400 0.097 0.000 0.800 28 E CB -0.119 29.659 29.700 0.129 0.000 0.746 28 E HN 0.547 nan 8.360 nan 0.000 0.452 29 L N 0.151 121.458 121.223 0.140 0.000 2.046 29 L HA -0.185 4.155 4.340 0.000 0.000 0.208 29 L C 2.591 179.588 176.870 0.213 0.000 1.077 29 L CA 1.107 56.071 54.840 0.206 0.000 0.747 29 L CB -0.431 41.804 42.059 0.295 0.000 0.896 29 L HN 0.215 nan 8.230 nan 0.000 0.432 30 A N -0.081 122.814 122.820 0.124 0.000 1.930 30 A HA -0.124 4.196 4.320 0.000 0.000 0.217 30 A C 2.236 179.815 177.584 -0.008 0.000 1.175 30 A CA 1.232 53.181 52.037 -0.146 0.000 0.627 30 A CB -0.569 18.206 19.000 -0.375 0.000 0.815 30 A HN 0.356 nan 8.150 nan 0.000 0.443 31 L N -0.891 120.359 121.223 0.046 0.000 2.093 31 L HA -0.147 4.193 4.340 0.000 0.000 0.208 31 L C 3.063 179.974 176.870 0.068 0.000 1.085 31 L CA 0.928 55.807 54.840 0.064 0.000 0.755 31 L CB -0.552 41.556 42.059 0.083 0.000 0.904 31 L HN 0.433 nan 8.230 nan 0.000 0.435 32 A N 0.215 123.081 122.820 0.077 0.000 1.972 32 A HA -0.243 4.077 4.320 0.000 0.000 0.219 32 A C 2.440 180.068 177.584 0.073 0.000 1.169 32 A CA 1.736 53.818 52.037 0.074 0.000 0.635 32 A CB -0.552 18.495 19.000 0.079 0.000 0.810 32 A HN 0.370 nan 8.150 nan 0.000 0.446 33 R N -0.417 120.132 120.500 0.082 0.000 2.075 33 R HA -0.065 4.275 4.340 0.000 0.000 0.232 33 R C 1.858 178.198 176.300 0.066 0.000 1.126 33 R CA 1.645 57.794 56.100 0.082 0.000 0.963 33 R CB -0.391 29.970 30.300 0.102 0.000 0.858 33 R HN 0.268 nan 8.270 nan 0.000 0.435 34 V N 1.741 121.691 119.914 0.059 0.000 2.343 34 V HA -0.249 3.871 4.120 0.000 0.000 0.247 34 V C 2.448 178.577 176.094 0.058 0.000 1.051 34 V CA 2.096 64.431 62.300 0.058 0.000 1.036 34 V CB -0.537 31.321 31.823 0.059 0.000 0.654 34 V HN 0.407 nan 8.190 nan 0.000 0.451 35 K N 0.313 120.748 120.400 0.058 0.000 2.209 35 K HA -0.111 4.209 4.320 0.000 0.000 0.204 35 K C 1.726 178.354 176.600 0.047 0.000 1.048 35 K CA 1.387 57.706 56.287 0.053 0.000 0.940 35 K CB -0.174 32.357 32.500 0.051 0.000 0.729 35 K HN 0.476 nan 8.250 nan 0.000 0.451 36 A N 0.750 123.598 122.820 0.048 0.000 2.307 36 A HA 0.112 4.432 4.320 0.000 0.000 0.218 36 A C 0.120 177.728 177.584 0.041 0.000 1.228 36 A CA -0.097 51.966 52.037 0.043 0.000 0.857 36 A CB 0.235 19.262 19.000 0.045 0.000 0.897 36 A HN 0.054 nan 8.150 nan 0.000 0.495 37 R N -0.179 120.348 120.500 0.044 0.000 2.494 37 R HA 0.250 4.590 4.340 0.000 0.000 0.284 37 R C -2.568 173.757 176.300 0.042 0.000 1.525 37 R CA -1.728 54.397 56.100 0.042 0.000 1.460 37 R CB 0.642 30.970 30.300 0.047 0.000 1.134 37 R HN 0.083 nan 8.270 nan 0.000 0.592 38 P HA -0.178 nan 4.420 nan 0.000 0.220 38 P C 0.817 178.141 177.300 0.039 0.000 1.144 38 P CA 1.193 64.315 63.100 0.037 0.000 0.800 38 P CB 0.300 32.017 31.700 0.029 0.000 0.772 39 D N -1.104 119.317 120.400 0.035 0.000 2.312 39 D HA -0.084 4.556 4.640 0.000 0.000 0.211 39 D C 0.573 176.895 176.300 0.036 0.000 0.964 39 D CA 0.501 54.521 54.000 0.033 0.000 0.877 39 D CB -0.385 40.432 40.800 0.029 0.000 0.924 39 D HN 0.214 nan 8.370 nan 0.000 0.515 40 L N 1.039 122.287 121.223 0.041 0.000 2.292 40 L HA 0.238 4.578 4.340 0.000 0.000 0.284 40 L C 0.717 177.618 176.870 0.052 0.000 1.065 40 L CA -0.699 54.163 54.840 0.037 0.000 0.806 40 L CB 1.407 43.490 42.059 0.040 0.000 1.175 40 L HN -0.059 nan 8.230 nan 0.000 0.431 41 L N 2.592 123.837 121.223 0.037 0.000 3.677 41 L HA -0.175 4.165 4.340 0.000 0.000 0.464 41 L C -2.149 174.840 176.870 0.199 0.000 1.278 41 L CA -0.689 54.203 54.840 0.087 0.000 0.806 41 L CB -1.600 40.516 42.059 0.094 0.000 1.610 41 L HN 0.528 nan 8.230 nan 0.000 0.867 42 P HA 0.090 nan 4.420 nan 0.000 0.258 42 P C 1.165 178.591 177.300 0.210 0.000 1.187 42 P CA 1.701 64.889 63.100 0.147 0.000 0.767 42 P CB 0.743 32.505 31.700 0.104 0.000 0.770 43 G N 0.881 109.735 108.800 0.090 0.000 2.159 43 G HA2 -0.215 3.745 3.960 0.000 0.000 0.256 43 G HA3 -0.215 3.745 3.960 0.000 0.000 0.256 43 G C -0.582 174.144 174.900 -0.290 0.000 0.977 43 G CA -0.609 44.441 45.100 -0.082 0.000 0.652 43 G HN 0.400 nan 8.290 nan 0.000 0.531 44 W N -0.389 120.908 121.300 -0.006 0.000 2.864 44 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 44 W C -0.010 176.510 176.519 0.003 0.000 1.109 44 W CA -0.548 56.795 57.345 -0.004 0.000 1.192 44 W CB 1.793 31.249 29.460 -0.007 0.000 1.426 44 W HN 0.100 nan 8.180 nan 0.000 0.529 45 T N 1.748 116.449 114.554 0.245 0.000 2.841 45 T HA 0.413 4.763 4.350 0.000 0.000 0.285 45 T C -0.773 174.026 174.700 0.165 0.000 0.991 45 T CA -0.650 61.541 62.100 0.152 0.000 0.966 45 T CB 1.208 70.121 68.868 0.075 0.000 0.962 45 T HN 0.105 nan 8.240 nan 0.000 0.438 46 V N 5.146 125.140 119.914 0.134 0.000 2.508 46 V HA 0.417 4.537 4.120 0.000 0.000 0.281 46 V C 0.286 176.429 176.094 0.083 0.000 1.041 46 V CA -0.355 62.015 62.300 0.116 0.000 1.016 46 V CB 0.363 32.252 31.823 0.110 0.000 0.984 46 V HN 0.628 nan 8.190 nan 0.000 0.478 47 R N 5.002 125.538 120.500 0.061 0.000 2.740 47 R HA 0.658 4.998 4.340 0.000 0.000 0.282 47 R C -0.816 175.477 176.300 -0.011 0.000 0.969 47 R CA -0.800 55.313 56.100 0.023 0.000 0.918 47 R CB 2.012 32.314 30.300 0.004 0.000 1.175 47 R HN 0.541 nan 8.270 nan 0.000 0.464 48 M N 2.499 122.087 119.600 -0.020 0.000 2.294 48 M HA 0.400 4.880 4.480 0.000 0.000 0.335 48 M C -0.121 176.090 176.300 -0.149 0.000 1.079 48 M CA -1.108 54.160 55.300 -0.053 0.000 0.982 48 M CB 1.778 34.407 32.600 0.048 0.000 1.651 48 M HN 0.339 nan 8.290 nan 0.000 0.437 49 V N 2.252 122.021 119.914 -0.242 0.000 2.540 49 V HA 0.703 4.823 4.120 0.000 0.000 0.302 49 V C -0.691 175.241 176.094 -0.269 0.000 1.035 49 V CA -0.852 61.248 62.300 -0.332 0.000 0.873 49 V CB 1.844 33.294 31.823 -0.621 0.000 0.992 49 V HN 0.805 nan 8.190 nan 0.000 0.428 50 L N 4.414 125.489 121.223 -0.247 0.000 2.317 50 L HA 0.955 5.295 4.340 0.000 0.000 0.281 50 L C 0.618 177.376 176.870 -0.187 0.000 1.024 50 L CA -0.349 54.308 54.840 -0.305 0.000 0.810 50 L CB 1.730 43.534 42.059 -0.425 0.000 1.240 50 L HN 0.947 nan 8.230 nan 0.000 0.427 51 G N 0.448 109.146 108.800 -0.170 0.000 2.612 51 G HA2 0.494 4.454 3.960 0.000 0.000 0.298 51 G HA3 0.494 4.454 3.960 0.000 0.000 0.298 51 G C -1.579 173.270 174.900 -0.085 0.000 1.336 51 G CA -0.363 44.695 45.100 -0.070 0.000 0.953 51 G HN 0.420 nan 8.290 nan 0.000 0.482 52 S N -0.772 114.904 115.700 -0.041 0.000 2.489 52 S HA 0.464 4.934 4.470 0.000 0.000 0.291 52 S C 1.408 176.014 174.600 0.010 0.000 1.151 52 S CA 0.044 58.230 58.200 -0.024 0.000 1.082 52 S CB 1.268 64.464 63.200 -0.007 0.000 1.019 52 S HN 1.081 nan 8.310 nan 0.000 0.492 53 S N 2.807 118.518 115.700 0.018 0.000 2.593 53 S HA 0.194 4.664 4.470 0.000 0.000 0.217 53 S C 0.180 174.803 174.600 0.040 0.000 0.966 53 S CA -0.229 57.987 58.200 0.027 0.000 0.914 53 S CB -0.301 62.910 63.200 0.018 0.000 0.776 53 S HN 0.781 nan 8.310 nan 0.000 0.523 54 E N 2.808 123.036 120.200 0.047 0.000 2.331 54 E HA 0.282 4.632 4.350 0.000 0.000 0.272 54 E C -0.108 176.529 176.600 0.061 0.000 1.036 54 E CA -0.639 55.803 56.400 0.070 0.000 0.864 54 E CB 0.493 30.245 29.700 0.086 0.000 1.035 54 E HN 0.595 nan 8.360 nan 0.000 0.408 55 N N 1.140 119.881 118.700 0.069 0.000 2.418 55 N HA 0.165 4.905 4.740 0.000 0.000 0.283 55 N C 0.604 176.146 175.510 0.054 0.000 1.267 55 N CA -0.081 53.002 53.050 0.055 0.000 0.975 55 N CB 0.169 38.689 38.487 0.055 0.000 1.167 55 N HN 0.413 nan 8.380 nan 0.000 0.581 56 A N -0.740 122.106 122.820 0.043 0.000 1.978 56 A HA -0.035 4.285 4.320 0.000 0.000 0.220 56 A C 2.004 179.615 177.584 0.045 0.000 1.170 56 A CA 2.043 54.104 52.037 0.039 0.000 0.636 56 A CB -1.525 17.493 19.000 0.031 0.000 0.810 56 A HN 0.858 nan 8.150 nan 0.000 0.448 57 A N -2.001 120.849 122.820 0.051 0.000 2.206 57 A HA 0.384 4.704 4.320 0.000 0.000 0.211 57 A C 1.857 179.482 177.584 0.069 0.000 1.158 57 A CA 1.291 53.360 52.037 0.054 0.000 0.761 57 A CB -0.901 18.132 19.000 0.054 0.000 0.801 57 A HN 1.921 nan 8.150 nan 0.000 0.473 58 G N -1.550 107.299 108.800 0.081 0.000 2.157 58 G HA2 -0.112 3.848 3.960 0.000 0.000 0.239 58 G HA3 -0.112 3.848 3.960 0.000 0.000 0.239 58 G C 0.351 175.348 174.900 0.161 0.000 0.982 58 G CA 0.591 45.753 45.100 0.104 0.000 0.650 58 G HN 1.793 nan 8.290 nan 0.000 0.527 59 V N -1.493 118.523 119.914 0.171 0.000 2.769 59 V HA 0.783 4.903 4.120 0.000 0.000 0.312 59 V C 1.320 177.544 176.094 0.217 0.000 1.058 59 V CA -1.148 61.311 62.300 0.265 0.000 0.952 59 V CB 1.297 33.261 31.823 0.235 0.000 1.019 59 V HN 1.406 nan 8.190 nan 0.000 0.445 60 c N 2.493 121.225 118.600 0.221 0.000 2.642 60 c HA 0.662 5.232 4.570 0.000 0.000 0.420 60 c C 0.709 174.878 174.090 0.131 0.000 1.349 60 c CA 0.393 56.772 56.329 0.083 0.000 1.821 60 c CB -0.870 41.600 42.510 -0.065 0.000 2.637 60 c HN 1.445 nan 8.230 nan 0.000 0.605 61 S N 1.535 117.293 115.700 0.097 0.000 2.542 61 S HA 0.482 4.952 4.470 0.000 0.000 0.293 61 S C 0.745 175.399 174.600 0.089 0.000 1.089 61 S CA -0.066 58.191 58.200 0.093 0.000 0.961 61 S CB 1.437 64.679 63.200 0.069 0.000 1.062 61 S HN 0.911 nan 8.310 nan 0.000 0.483 62 D N 2.431 122.883 120.400 0.087 0.000 2.363 62 D HA 0.035 4.675 4.640 0.000 0.000 0.220 62 D C 1.071 177.411 176.300 0.067 0.000 0.994 62 D CA 0.797 54.852 54.000 0.092 0.000 0.890 62 D CB -0.163 40.685 40.800 0.081 0.000 0.906 62 D HN 0.460 nan 8.370 nan 0.000 0.530 63 T N -0.490 114.095 114.554 0.051 0.000 3.085 63 T HA 0.304 4.654 4.350 0.000 0.000 0.241 63 T C 2.006 176.729 174.700 0.038 0.000 0.988 63 T CA 0.747 62.873 62.100 0.044 0.000 1.117 63 T CB -0.057 68.831 68.868 0.032 0.000 0.978 63 T HN 0.235 nan 8.240 nan 0.000 0.454 64 A N 1.796 124.638 122.820 0.037 0.000 1.940 64 A HA 0.103 4.423 4.320 0.000 0.000 0.219 64 A C 2.511 180.113 177.584 0.030 0.000 1.176 64 A CA 2.055 54.111 52.037 0.032 0.000 0.631 64 A CB -1.065 17.957 19.000 0.038 0.000 0.814 64 A HN 0.498 nan 8.150 nan 0.000 0.446 65 A N 0.273 123.114 122.820 0.035 0.000 1.858 65 A HA -0.066 4.254 4.320 0.000 0.000 0.216 65 A C 0.469 178.062 177.584 0.015 0.000 1.190 65 A CA 1.767 53.822 52.037 0.030 0.000 0.617 65 A CB -1.539 17.479 19.000 0.030 0.000 0.827 65 A HN 0.516 nan 8.150 nan 0.000 0.443 66 P HA -0.102 nan 4.420 nan 0.000 0.219 66 P C 1.567 178.801 177.300 -0.111 0.000 1.150 66 P CA 0.850 63.918 63.100 -0.053 0.000 0.814 66 P CB -0.200 31.532 31.700 0.055 0.000 0.787 67 L N -0.449 120.750 121.223 -0.040 0.000 2.046 67 L HA -0.143 4.197 4.340 0.000 0.000 0.208 67 L C 2.768 179.631 176.870 -0.010 0.000 1.077 67 L CA 1.711 56.530 54.840 -0.035 0.000 0.747 67 L CB -1.236 40.819 42.059 -0.005 0.000 0.896 67 L HN -0.036 nan 8.230 nan 0.000 0.432 68 A N 0.024 122.854 122.820 0.017 0.000 1.898 68 A HA -0.096 4.224 4.320 0.000 0.000 0.216 68 A C 2.549 180.201 177.584 0.114 0.000 1.181 68 A CA 1.518 53.587 52.037 0.054 0.000 0.620 68 A CB -0.609 18.421 19.000 0.051 0.000 0.819 68 A HN 0.382 nan 8.150 nan 0.000 0.442 69 A N -0.487 122.403 122.820 0.117 0.000 1.902 69 A HA -0.015 4.305 4.320 0.000 0.000 0.217 69 A C 2.218 179.980 177.584 0.298 0.000 1.181 69 A CA 1.840 54.030 52.037 0.255 0.000 0.623 69 A CB -0.888 18.118 19.000 0.010 0.000 0.818 69 A HN 0.381 nan 8.150 nan 0.000 0.443 70 V N 0.521 120.502 119.914 0.113 0.000 2.358 70 V HA -0.222 3.898 4.120 0.000 0.000 0.246 70 V C 2.166 178.312 176.094 0.087 0.000 1.047 70 V CA 2.218 64.573 62.300 0.091 0.000 1.035 70 V CB -0.801 30.980 31.823 -0.069 0.000 0.658 70 V HN 0.483 nan 8.190 nan 0.000 0.452 71 D N 0.187 120.635 120.400 0.080 0.000 2.123 71 D HA -0.134 4.506 4.640 0.000 0.000 0.196 71 D C 2.156 178.532 176.300 0.128 0.000 0.992 71 D CA 1.256 55.312 54.000 0.092 0.000 0.833 71 D CB -0.243 40.594 40.800 0.062 0.000 0.954 71 D HN 0.330 nan 8.370 nan 0.000 0.455 72 L N 0.445 121.764 121.223 0.161 0.000 2.056 72 L HA -0.145 4.195 4.340 0.000 0.000 0.207 72 L C 2.488 179.429 176.870 0.118 0.000 1.078 72 L CA 0.897 55.848 54.840 0.186 0.000 0.749 72 L CB -0.362 41.810 42.059 0.189 0.000 0.901 72 L HN -0.047 nan 8.230 nan 0.000 0.433 73 K N 0.092 120.567 120.400 0.124 0.000 2.009 73 K HA -0.255 4.065 4.320 0.000 0.000 0.210 73 K C 2.009 178.548 176.600 -0.101 0.000 1.049 73 K CA 1.748 57.994 56.287 -0.068 0.000 0.929 73 K CB -0.576 31.626 32.500 -0.497 0.000 0.714 73 K HN 0.462 nan 8.250 nan 0.000 0.440 74 W N 1.840 123.020 121.300 -0.200 0.000 2.354 74 W HA -0.190 4.470 4.660 -0.000 0.000 0.315 74 W C 1.749 178.161 176.519 -0.179 0.000 1.206 74 W CA 1.819 59.059 57.345 -0.175 0.000 1.290 74 W CB -0.209 29.172 29.460 -0.131 0.000 1.152 74 W HN 0.282 nan 8.180 nan 0.000 0.489 75 E N -1.399 118.708 120.200 -0.154 0.000 2.152 75 E HA -0.217 4.133 4.350 0.000 0.000 0.192 75 E C 1.585 177.819 176.600 -0.609 0.000 0.983 75 E CA 1.238 57.373 56.400 -0.443 0.000 0.818 75 E CB -0.236 29.166 29.700 -0.497 0.000 0.758 75 E HN 0.311 nan 8.360 nan 0.000 0.467 76 H N -1.272 117.714 119.070 -0.140 0.000 3.058 76 H HA 0.231 4.787 4.556 -0.000 0.000 0.266 76 H C -0.033 175.204 175.328 -0.152 0.000 1.135 76 H CA 0.532 56.496 56.048 -0.139 0.000 1.174 76 H CB 1.069 30.760 29.762 -0.118 0.000 1.581 76 H HN -0.046 nan 8.280 nan 0.000 0.553 77 S N 2.187 117.834 115.700 -0.088 0.000 3.524 77 S HA -0.109 4.361 4.470 0.000 0.000 0.377 77 S C -2.277 172.282 174.600 -0.068 0.000 0.949 77 S CA 0.079 58.216 58.200 -0.105 0.000 1.264 77 S CB -1.122 62.007 63.200 -0.117 0.000 0.918 77 S HN 0.485 nan 8.310 nan 0.000 0.517 78 P HA 0.333 nan 4.420 nan 0.000 0.269 78 P C 0.719 177.969 177.300 -0.083 0.000 1.215 78 P CA -0.042 62.960 63.100 -0.164 0.000 0.780 78 P CB 0.881 32.322 31.700 -0.432 0.000 0.898 79 A N 2.046 124.832 122.820 -0.057 0.000 2.081 79 A HA 0.243 4.563 4.320 0.000 0.000 0.214 79 A C 0.827 178.435 177.584 0.040 0.000 1.158 79 A CA 0.804 52.847 52.037 0.010 0.000 0.724 79 A CB -0.072 18.940 19.000 0.019 0.000 0.826 79 A HN 0.480 nan 8.150 nan 0.000 0.463 80 V N -1.533 118.347 119.914 -0.058 0.000 3.167 80 V HA 0.600 4.720 4.120 0.000 0.000 0.293 80 V C -2.193 173.815 176.094 -0.144 0.000 1.379 80 V CA -1.104 61.154 62.300 -0.070 0.000 1.019 80 V CB 1.896 33.488 31.823 -0.385 0.000 1.115 80 V HN 0.178 nan 8.190 nan 0.000 0.442 81 F N 4.778 124.707 119.950 -0.035 0.000 2.450 81 F HA 0.783 5.310 4.527 -0.000 0.000 0.332 81 F C -0.288 175.505 175.800 -0.011 0.000 1.093 81 F CA -0.658 57.346 58.000 0.008 0.000 1.003 81 F CB 1.991 41.038 39.000 0.077 0.000 1.151 81 F HN 0.424 nan 8.300 nan 0.000 0.474 82 L N 2.920 124.250 121.223 0.178 0.000 2.319 82 L HA 0.833 5.173 4.340 0.000 0.000 0.281 82 L C -0.107 176.922 176.870 0.266 0.000 1.005 82 L CA 0.066 55.031 54.840 0.208 0.000 0.828 82 L CB 0.779 42.935 42.059 0.162 0.000 1.227 82 L HN 0.787 nan 8.230 nan 0.000 0.415 83 G N 4.420 113.427 108.800 0.346 0.000 2.710 83 G HA2 -0.120 3.840 3.960 0.000 0.000 0.668 83 G HA3 -0.120 3.840 3.960 0.000 0.000 0.668 83 G C -3.087 171.893 174.900 0.132 0.000 1.320 83 G CA -0.765 44.493 45.100 0.263 0.000 0.860 83 G HN 0.548 nan 8.290 nan 0.000 0.538 84 P HA 0.385 nan 4.420 nan 0.000 0.273 84 P C 1.059 178.249 177.300 -0.184 0.000 1.250 84 P CA 0.752 63.826 63.100 -0.042 0.000 0.793 84 P CB 0.681 32.333 31.700 -0.079 0.000 1.011 85 G N -0.931 107.590 108.800 -0.464 0.000 2.651 85 G HA2 -0.014 3.946 3.960 0.000 0.000 0.207 85 G HA3 -0.014 3.946 3.960 0.000 0.000 0.207 85 G C 0.018 173.989 174.900 -1.548 0.000 1.131 85 G CA 0.303 44.663 45.100 -1.234 0.000 0.816 85 G HN 0.487 nan 8.290 nan 0.000 0.534 86 c N 1.118 119.175 118.600 -0.905 0.000 2.644 86 c HA 0.281 4.851 4.570 0.000 0.000 0.417 86 c C 2.228 176.102 174.090 -0.361 0.000 1.304 86 c CA -0.621 55.471 56.329 -0.394 0.000 2.035 86 c CB 1.202 43.716 42.510 0.007 0.000 2.673 86 c HN 0.233 nan 8.230 nan 0.000 0.602 87 V N 2.696 122.377 119.914 -0.390 0.000 2.295 87 V HA -0.235 3.885 4.120 0.000 0.000 0.246 87 V C 1.695 177.553 176.094 -0.393 0.000 1.049 87 V CA 2.091 64.055 62.300 -0.560 0.000 1.024 87 V CB -0.866 30.337 31.823 -1.033 0.000 0.648 87 V HN 0.988 nan 8.190 nan 0.000 0.447 88 Y N -0.060 120.194 120.300 -0.077 0.000 2.333 88 Y HA -0.180 4.370 4.550 0.000 0.000 0.290 88 Y C 2.741 178.631 175.900 -0.017 0.000 1.144 88 Y CA 1.176 59.276 58.100 0.000 0.000 1.228 88 Y CB -0.061 38.450 38.460 0.085 0.000 0.985 88 Y HN 0.209 nan 8.280 nan 0.000 0.542 89 S N -0.519 115.229 115.700 0.079 0.000 2.388 89 S HA -0.052 4.418 4.470 0.000 0.000 0.223 89 S C 2.232 176.821 174.600 -0.018 0.000 1.034 89 S CA 0.714 58.934 58.200 0.033 0.000 0.963 89 S CB -0.287 62.912 63.200 -0.002 0.000 0.827 89 S HN 0.476 nan 8.310 nan 0.000 0.481 90 A N 1.577 124.336 122.820 -0.103 0.000 2.014 90 A HA 0.261 4.581 4.320 0.000 0.000 0.218 90 A C 2.244 179.781 177.584 -0.077 0.000 1.163 90 A CA 1.410 53.370 52.037 -0.127 0.000 0.652 90 A CB -0.850 18.006 19.000 -0.241 0.000 0.808 90 A HN 0.466 nan 8.150 nan 0.000 0.449 91 A N 0.862 123.643 122.820 -0.066 0.000 1.851 91 A HA -0.082 4.238 4.320 0.000 0.000 0.216 91 A C 0.508 178.206 177.584 0.191 0.000 1.195 91 A CA 1.833 53.909 52.037 0.064 0.000 0.622 91 A CB -1.536 17.504 19.000 0.066 0.000 0.831 91 A HN 0.508 nan 8.150 nan 0.000 0.444 92 P HA -0.050 nan 4.420 nan 0.000 0.217 92 P C 1.603 178.980 177.300 0.129 0.000 1.151 92 P CA 1.349 64.512 63.100 0.105 0.000 0.828 92 P CB -0.215 31.558 31.700 0.123 0.000 0.788 93 V N 1.039 121.002 119.914 0.082 0.000 2.295 93 V HA -0.160 3.960 4.120 0.000 0.000 0.246 93 V C 2.935 178.996 176.094 -0.055 0.000 1.049 93 V CA 2.500 64.797 62.300 -0.005 0.000 1.024 93 V CB -1.989 29.792 31.823 -0.070 0.000 0.648 93 V HN 0.165 nan 8.190 nan 0.000 0.447 94 G N -0.069 108.760 108.800 0.047 0.000 2.450 94 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 94 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 94 G C 1.690 176.564 174.900 -0.044 0.000 1.130 94 G CA 0.460 45.638 45.100 0.129 0.000 0.760 94 G HN 0.326 nan 8.290 nan 0.000 0.557 95 R N -0.306 120.103 120.500 -0.153 0.000 2.115 95 R HA 0.090 4.430 4.340 0.000 0.000 0.230 95 R C 2.235 178.251 176.300 -0.473 0.000 1.111 95 R CA 0.490 56.352 56.100 -0.396 0.000 0.976 95 R CB -0.956 29.084 30.300 -0.432 0.000 0.870 95 R HN 0.491 nan 8.270 nan 0.000 0.445 96 F N 1.041 120.666 119.950 -0.542 0.000 2.128 96 F HA -0.189 4.338 4.527 0.000 0.000 0.295 96 F C 2.702 177.790 175.800 -1.186 0.000 1.100 96 F CA 1.906 59.288 58.000 -1.030 0.000 1.260 96 F CB -0.623 37.575 39.000 -1.337 0.000 1.009 96 F HN 0.126 nan 8.300 nan 0.000 0.476 97 T N -1.768 112.458 114.554 -0.547 0.000 2.833 97 T HA -0.165 4.185 4.350 0.000 0.000 0.269 97 T C 2.062 176.733 174.700 -0.049 0.000 1.054 97 T CA 0.977 62.969 62.100 -0.181 0.000 1.135 97 T CB -0.817 67.994 68.868 -0.095 0.000 0.869 97 T HN 0.203 nan 8.240 nan 0.000 0.466 98 A N 1.525 124.275 122.820 -0.117 0.000 1.877 98 A HA -0.112 4.208 4.320 0.000 0.000 0.216 98 A C 2.233 179.791 177.584 -0.043 0.000 1.186 98 A CA 2.049 54.046 52.037 -0.067 0.000 0.620 98 A CB -1.308 17.613 19.000 -0.132 0.000 0.822 98 A HN 0.742 nan 8.150 nan 0.000 0.443 99 H N -1.695 117.234 119.070 -0.235 0.000 2.353 99 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 99 H C 1.557 176.912 175.328 0.045 0.000 1.090 99 H CA 2.117 58.063 56.048 -0.171 0.000 1.327 99 H CB -0.197 29.368 29.762 -0.328 0.000 1.383 99 H HN 0.625 nan 8.280 nan 0.000 0.508 100 W N 0.698 122.018 121.300 0.033 0.000 2.800 100 W HA 0.152 4.812 4.660 -0.000 0.000 0.249 100 W C 0.445 176.960 176.519 -0.007 0.000 1.294 100 W CA 0.810 58.156 57.345 0.002 0.000 1.402 100 W CB -0.411 29.123 29.460 0.124 0.000 1.126 100 W HN 0.229 nan 8.180 nan 0.000 0.652 101 R N -0.933 119.672 120.500 0.174 0.000 3.423 101 R HA -0.154 4.186 4.340 0.000 0.000 0.271 101 R C -0.799 175.589 176.300 0.146 0.000 1.093 101 R CA 0.254 56.416 56.100 0.105 0.000 0.730 101 R CB -2.204 28.127 30.300 0.053 0.000 1.190 101 R HN -0.172 nan 8.270 nan 0.000 0.437 102 V N 0.672 120.721 119.914 0.224 0.000 2.495 102 V HA 0.377 4.497 4.120 0.000 0.000 0.298 102 V C -1.916 174.309 176.094 0.218 0.000 1.031 102 V CA -2.137 60.316 62.300 0.256 0.000 0.871 102 V CB 2.207 34.294 31.823 0.439 0.000 0.988 102 V HN -0.067 nan 8.190 nan 0.000 0.432 103 P HA 0.242 nan 4.420 nan 0.000 0.269 103 P C -0.936 176.458 177.300 0.157 0.000 1.209 103 P CA -0.046 63.133 63.100 0.132 0.000 0.776 103 P CB 0.599 32.368 31.700 0.116 0.000 0.876 104 L N 3.466 124.768 121.223 0.131 0.000 2.406 104 L HA 0.495 4.835 4.340 0.000 0.000 0.272 104 L C -1.505 175.409 176.870 0.073 0.000 0.980 104 L CA -0.630 54.290 54.840 0.134 0.000 0.831 104 L CB 0.838 42.962 42.059 0.110 0.000 1.253 104 L HN 0.178 nan 8.230 nan 0.000 0.406 105 L N 4.428 125.675 121.223 0.041 0.000 2.322 105 L HA 0.741 5.081 4.340 0.000 0.000 0.281 105 L C -0.260 176.607 176.870 -0.004 0.000 1.014 105 L CA -0.438 54.398 54.840 -0.007 0.000 0.815 105 L CB 1.873 43.902 42.059 -0.049 0.000 1.247 105 L HN 0.599 nan 8.230 nan 0.000 0.421 106 T N 0.856 115.317 114.554 -0.155 0.000 2.932 106 T HA 0.569 4.919 4.350 0.000 0.000 0.318 106 T C -0.181 174.140 174.700 -0.632 0.000 1.265 106 T CA 0.085 61.983 62.100 -0.338 0.000 1.036 106 T CB 1.836 70.607 68.868 -0.162 0.000 1.209 106 T HN 0.646 nan 8.240 nan 0.000 0.484 107 A N 2.343 124.430 122.820 -1.221 0.000 2.423 107 A HA 0.688 5.008 4.320 0.000 0.000 0.246 107 A C 1.059 178.401 177.584 -0.404 0.000 1.278 107 A CA 0.616 52.192 52.037 -0.768 0.000 0.903 107 A CB -0.356 18.161 19.000 -0.806 0.000 0.997 107 A HN 0.969 nan 8.150 nan 0.000 0.510 108 G N -2.234 106.333 108.800 -0.388 0.000 3.175 108 G HA2 0.516 4.476 3.960 0.000 0.000 0.153 108 G HA3 0.516 4.476 3.960 0.000 0.000 0.153 108 G C 0.648 175.287 174.900 -0.435 0.000 1.216 108 G CA -0.028 44.847 45.100 -0.375 0.000 0.943 108 G HN 1.444 nan 8.290 nan 0.000 0.611 109 A N 0.200 122.687 122.820 -0.556 0.000 2.415 109 A HA -0.096 4.224 4.320 0.000 0.000 0.292 109 A C -0.690 176.620 177.584 -0.457 0.000 1.452 109 A CA 1.158 52.896 52.037 -0.498 0.000 0.750 109 A CB -1.252 17.486 19.000 -0.438 0.000 1.099 109 A HN 0.450 nan 8.150 nan 0.000 0.391 110 P HA 0.222 nan 4.420 nan 0.000 0.245 110 P C 0.723 177.708 177.300 -0.525 0.000 1.212 110 P CA 0.998 63.759 63.100 -0.564 0.000 0.774 110 P CB -0.218 30.975 31.700 -0.845 0.000 0.999 111 A N 0.534 123.087 122.820 -0.445 0.000 2.466 111 A HA 0.041 4.361 4.320 0.000 0.000 0.238 111 A C 1.434 178.906 177.584 -0.188 0.000 1.074 111 A CA -0.353 51.502 52.037 -0.304 0.000 0.774 111 A CB -0.224 18.356 19.000 -0.699 0.000 1.015 111 A HN 0.137 nan 8.150 nan 0.000 0.498 112 L N 2.975 124.179 121.223 -0.032 0.000 2.013 112 L HA -0.111 4.229 4.340 0.000 0.000 0.212 112 L C 2.298 179.133 176.870 -0.058 0.000 1.073 112 L CA 3.086 57.911 54.840 -0.024 0.000 0.753 112 L CB -1.042 41.037 42.059 0.034 0.000 0.890 112 L HN 0.798 nan 8.230 nan 0.000 0.432 113 G N -0.059 108.712 108.800 -0.049 0.000 2.442 113 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 113 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 113 G C 1.479 176.301 174.900 -0.131 0.000 1.141 113 G CA 0.959 46.042 45.100 -0.029 0.000 0.763 113 G HN 0.441 nan 8.290 nan 0.000 0.554 114 I N 1.918 122.266 120.570 -0.371 0.000 2.756 114 I HA -0.054 4.116 4.170 0.000 0.000 0.262 114 I C 2.815 178.753 176.117 -0.297 0.000 1.225 114 I CA 0.983 61.888 61.300 -0.659 0.000 1.472 114 I CB -1.416 36.208 38.000 -0.628 0.000 1.094 114 I HN 0.222 nan 8.210 nan 0.000 0.454 115 G N 0.719 109.417 108.800 -0.169 0.000 2.598 115 G HA2 -0.037 3.923 3.960 0.000 0.000 0.215 115 G HA3 -0.037 3.923 3.960 0.000 0.000 0.215 115 G C 0.929 175.819 174.900 -0.018 0.000 1.131 115 G CA -0.006 45.030 45.100 -0.107 0.000 0.785 115 G HN 0.248 nan 8.290 nan 0.000 0.539 116 V N 2.360 122.315 119.914 0.069 0.000 2.287 116 V HA 0.103 4.223 4.120 0.000 0.000 0.246 116 V C 0.980 177.178 176.094 0.173 0.000 1.165 116 V CA -0.227 62.140 62.300 0.110 0.000 1.088 116 V CB 0.620 32.519 31.823 0.126 0.000 1.242 116 V HN 0.171 nan 8.190 nan 0.000 0.497 117 K N 1.549 122.023 120.400 0.124 0.000 2.504 117 K HA -0.056 4.264 4.320 0.000 0.000 0.195 117 K C 1.234 177.915 176.600 0.134 0.000 1.036 117 K CA 0.431 56.827 56.287 0.181 0.000 0.984 117 K CB 0.060 32.697 32.500 0.229 0.000 0.788 117 K HN 0.541 nan 8.250 nan 0.000 0.488 118 D N 1.149 121.595 120.400 0.077 0.000 2.219 118 D HA -0.109 4.531 4.640 0.000 0.000 0.205 118 D C 1.580 177.860 176.300 -0.032 0.000 0.970 118 D CA 0.972 54.990 54.000 0.030 0.000 0.851 118 D CB 0.315 41.125 40.800 0.016 0.000 0.943 118 D HN 0.400 nan 8.370 nan 0.000 0.488 119 E N -0.790 119.367 120.200 -0.072 0.000 2.079 119 E HA -0.018 4.332 4.350 0.000 0.000 0.191 119 E C 0.297 176.639 176.600 -0.430 0.000 0.961 119 E CA 0.146 56.379 56.400 -0.278 0.000 0.823 119 E CB 0.135 29.615 29.700 -0.367 0.000 0.789 119 E HN 0.251 nan 8.360 nan 0.000 0.459 120 Y N 1.180 121.474 120.300 -0.011 0.000 2.903 120 Y HA 0.323 4.873 4.550 -0.000 0.000 0.387 120 Y C 0.003 175.939 175.900 0.060 0.000 1.189 120 Y CA -0.780 57.317 58.100 -0.005 0.000 1.856 120 Y CB -0.069 38.375 38.460 -0.026 0.000 1.917 120 Y HN -0.018 nan 8.280 nan 0.000 0.448 121 A N 0.933 123.798 122.820 0.075 0.000 2.511 121 A HA 0.323 4.643 4.320 0.000 0.000 0.242 121 A C 1.009 178.664 177.584 0.119 0.000 1.069 121 A CA -0.032 52.069 52.037 0.107 0.000 0.763 121 A CB -0.026 18.987 19.000 0.020 0.000 1.001 121 A HN 0.919 nan 8.150 nan 0.000 0.498 122 L N 0.230 121.534 121.223 0.135 0.000 4.937 122 L HA -0.185 4.155 4.340 0.000 0.000 0.422 122 L C 0.573 177.575 176.870 0.221 0.000 1.059 122 L CA 0.766 55.665 54.840 0.099 0.000 1.111 122 L CB -2.559 39.526 42.059 0.042 0.000 2.033 122 L HN 0.730 nan 8.230 nan 0.000 0.708 123 T N 1.082 115.815 114.554 0.299 0.000 2.749 123 T HA 0.402 4.752 4.350 0.000 0.000 0.295 123 T C 0.486 175.348 174.700 0.270 0.000 0.936 123 T CA 0.289 62.522 62.100 0.220 0.000 1.060 123 T CB 1.255 70.215 68.868 0.154 0.000 0.904 123 T HN 0.061 nan 8.240 nan 0.000 0.500 124 T N 5.425 120.096 114.554 0.195 0.000 2.786 124 T HA 0.399 4.749 4.350 0.000 0.000 0.283 124 T C 0.124 174.793 174.700 -0.052 0.000 0.992 124 T CA -0.740 61.450 62.100 0.149 0.000 0.954 124 T CB 0.860 69.895 68.868 0.279 0.000 0.934 124 T HN 0.360 nan 8.240 nan 0.000 0.440 125 R N 1.969 122.373 120.500 -0.159 0.000 2.229 125 R HA 0.364 4.704 4.340 0.000 0.000 0.332 125 R C 1.049 177.220 176.300 -0.216 0.000 0.989 125 R CA -0.358 55.612 56.100 -0.216 0.000 0.842 125 R CB 0.771 30.922 30.300 -0.249 0.000 1.119 125 R HN 0.748 nan 8.270 nan 0.000 0.456 126 T N -1.379 113.033 114.554 -0.237 0.000 3.105 126 T HA 0.230 4.580 4.350 0.000 0.000 0.253 126 T C 0.781 175.345 174.700 -0.225 0.000 1.047 126 T CA -0.304 61.671 62.100 -0.208 0.000 0.944 126 T CB 0.720 69.478 68.868 -0.183 0.000 1.016 126 T HN 0.549 nan 8.240 nan 0.000 0.544 127 G N 1.373 110.016 108.800 -0.262 0.000 3.108 127 G HA2 0.693 4.653 3.960 0.000 0.000 0.268 127 G HA3 0.693 4.653 3.960 0.000 0.000 0.268 127 G C -3.095 171.646 174.900 -0.265 0.000 1.361 127 G CA -2.080 42.869 45.100 -0.252 0.000 1.047 127 G HN 0.026 nan 8.290 nan 0.000 0.540 128 P HA 0.227 nan 4.420 nan 0.000 0.268 128 P C -0.324 176.842 177.300 -0.223 0.000 1.208 128 P CA -0.024 62.881 63.100 -0.326 0.000 0.777 128 P CB 1.052 32.376 31.700 -0.627 0.000 0.875 129 S N 0.135 115.756 115.700 -0.132 0.000 2.569 129 S HA 0.386 4.856 4.470 0.000 0.000 0.280 129 S C 0.493 175.087 174.600 -0.009 0.000 1.111 129 S CA -0.560 57.526 58.200 -0.190 0.000 0.887 129 S CB 0.908 64.011 63.200 -0.163 0.000 1.095 129 S HN 0.374 nan 8.310 nan 0.000 0.476 130 H N 1.378 120.473 119.070 0.043 0.000 2.462 130 H HA 0.008 4.564 4.556 -0.000 0.000 0.292 130 H C 2.208 177.551 175.328 0.025 0.000 1.049 130 H CA 1.582 57.667 56.048 0.062 0.000 1.334 130 H CB -0.501 29.280 29.762 0.031 0.000 1.404 130 H HN 0.617 nan 8.280 nan 0.000 0.544 131 V N -0.482 119.491 119.914 0.099 0.000 2.720 131 V HA -0.130 3.990 4.120 0.000 0.000 0.256 131 V C 1.943 178.072 176.094 0.060 0.000 1.082 131 V CA 1.285 63.607 62.300 0.037 0.000 1.101 131 V CB -0.270 31.552 31.823 -0.002 0.000 0.693 131 V HN 0.111 nan 8.190 nan 0.000 0.479 132 K N 0.503 120.986 120.400 0.138 0.000 2.217 132 K HA 0.053 4.373 4.320 0.000 0.000 0.202 132 K C 2.034 178.772 176.600 0.230 0.000 1.051 132 K CA 1.292 57.722 56.287 0.239 0.000 0.952 132 K CB -0.563 32.134 32.500 0.328 0.000 0.736 132 K HN 0.541 nan 8.250 nan 0.000 0.453 133 L N 1.031 122.340 121.223 0.144 0.000 2.093 133 L HA -0.002 4.338 4.340 0.000 0.000 0.208 133 L C 2.044 178.757 176.870 -0.261 0.000 1.085 133 L CA 1.996 56.676 54.840 -0.267 0.000 0.755 133 L CB -1.088 40.901 42.059 -0.117 0.000 0.904 133 L HN 0.172 nan 8.230 nan 0.000 0.435 134 G N -0.941 107.769 108.800 -0.150 0.000 2.442 134 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 134 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 134 G C 1.263 176.046 174.900 -0.195 0.000 1.141 134 G CA 0.894 45.874 45.100 -0.199 0.000 0.763 134 G HN 0.432 nan 8.290 nan 0.000 0.554 135 D N -0.013 120.331 120.400 -0.094 0.000 2.117 135 D HA -0.107 4.532 4.640 0.000 0.000 0.197 135 D C 1.965 178.126 176.300 -0.231 0.000 0.987 135 D CA 0.537 54.513 54.000 -0.041 0.000 0.829 135 D CB -0.421 40.481 40.800 0.169 0.000 0.961 135 D HN 0.277 nan 8.370 nan 0.000 0.460 136 F N 1.626 121.197 119.950 -0.631 0.000 2.095 136 F HA -0.210 4.317 4.527 0.000 0.000 0.298 136 F C 2.154 177.586 175.800 -0.614 0.000 1.104 136 F CA 1.002 58.348 58.000 -1.091 0.000 1.232 136 F CB -0.507 37.798 39.000 -1.159 0.000 0.987 136 F HN -0.205 nan 8.300 nan 0.000 0.475 137 V N -0.071 119.450 119.914 -0.654 0.000 2.343 137 V HA -0.310 3.810 4.120 0.000 0.000 0.247 137 V C 2.352 178.214 176.094 -0.387 0.000 1.051 137 V CA 2.328 64.276 62.300 -0.586 0.000 1.036 137 V CB -1.203 30.280 31.823 -0.566 0.000 0.654 137 V HN 0.435 nan 8.190 nan 0.000 0.451 138 T N 0.537 114.885 114.554 -0.343 0.000 2.684 138 T HA -0.230 4.120 4.350 0.000 0.000 0.267 138 T C 2.078 176.692 174.700 -0.144 0.000 1.036 138 T CA 1.848 63.820 62.100 -0.214 0.000 1.148 138 T CB -0.480 68.293 68.868 -0.159 0.000 0.863 138 T HN 0.590 nan 8.240 nan 0.000 0.436 139 A N 1.006 123.703 122.820 -0.206 0.000 1.902 139 A HA 0.002 4.322 4.320 0.000 0.000 0.217 139 A C 2.358 179.845 177.584 -0.163 0.000 1.181 139 A CA 1.209 53.169 52.037 -0.128 0.000 0.623 139 A CB -0.922 18.038 19.000 -0.068 0.000 0.818 139 A HN 0.464 nan 8.150 nan 0.000 0.443 140 L N -1.376 119.650 121.223 -0.329 0.000 2.012 140 L HA -0.228 4.112 4.340 0.000 0.000 0.210 140 L C 2.691 179.498 176.870 -0.105 0.000 1.073 140 L CA 1.705 56.388 54.840 -0.261 0.000 0.748 140 L CB -0.637 41.176 42.059 -0.409 0.000 0.891 140 L HN 0.564 nan 8.230 nan 0.000 0.431 141 H N -0.654 118.362 119.070 -0.091 0.000 2.353 141 H HA -0.143 4.413 4.556 0.000 0.000 0.300 141 H C 2.442 177.719 175.328 -0.087 0.000 1.090 141 H CA 1.275 57.355 56.048 0.053 0.000 1.327 141 H CB 0.171 30.024 29.762 0.152 0.000 1.383 141 H HN 0.306 nan 8.280 nan 0.000 0.508 142 R N 0.468 120.982 120.500 0.023 0.000 2.081 142 R HA -0.091 4.249 4.340 0.000 0.000 0.235 142 R C 2.507 178.751 176.300 -0.094 0.000 1.131 142 R CA 0.854 56.934 56.100 -0.033 0.000 0.960 142 R CB -0.119 30.168 30.300 -0.021 0.000 0.856 142 R HN 0.213 nan 8.270 nan 0.000 0.436 143 R N 0.927 121.358 120.500 -0.115 0.000 2.115 143 R HA -0.065 4.275 4.340 0.000 0.000 0.230 143 R C 1.397 177.564 176.300 -0.221 0.000 1.111 143 R CA 1.165 57.190 56.100 -0.125 0.000 0.976 143 R CB 0.067 30.318 30.300 -0.082 0.000 0.870 143 R HN 0.233 nan 8.270 nan 0.000 0.445 144 L N -0.551 120.426 121.223 -0.410 0.000 2.640 144 L HA 0.296 4.636 4.340 0.000 0.000 0.230 144 L C 0.839 177.284 176.870 -0.709 0.000 1.123 144 L CA 0.347 54.770 54.840 -0.695 0.000 0.900 144 L CB 0.746 42.007 42.059 -1.330 0.000 1.146 144 L HN 0.463 nan 8.230 nan 0.000 0.484 145 G N -0.650 107.908 108.800 -0.403 0.000 2.198 145 G HA2 -0.242 3.718 3.960 0.000 0.000 0.257 145 G HA3 -0.242 3.718 3.960 0.000 0.000 0.257 145 G C -0.414 174.455 174.900 -0.051 0.000 1.042 145 G CA -0.455 44.519 45.100 -0.210 0.000 0.791 145 G HN 0.235 nan 8.290 nan 0.000 0.502 146 W N 0.990 122.250 121.300 -0.067 0.000 2.317 146 W HA 0.573 5.233 4.660 0.000 0.000 0.327 146 W C 0.688 177.235 176.519 0.046 0.000 1.036 146 W CA -0.944 56.377 57.345 -0.040 0.000 1.419 146 W CB -0.019 29.302 29.460 -0.232 0.000 1.253 146 W HN 0.465 nan 8.180 nan 0.000 0.392 147 E N 0.496 120.787 120.200 0.152 0.000 2.583 147 E HA 0.046 4.396 4.350 0.000 0.000 0.213 147 E C 0.339 176.781 176.600 -0.264 0.000 0.989 147 E CA 0.195 56.538 56.400 -0.095 0.000 0.991 147 E CB 0.620 30.155 29.700 -0.275 0.000 1.040 147 E HN 0.492 nan 8.360 nan 0.000 0.481 148 H N -0.073 119.088 119.070 0.152 0.000 2.521 148 H HA 0.268 4.824 4.556 -0.000 0.000 0.267 148 H C 0.389 175.780 175.328 0.106 0.000 0.963 148 H CA 0.191 56.307 56.048 0.113 0.000 1.175 148 H CB 0.987 30.817 29.762 0.113 0.000 1.450 148 H HN -0.085 nan 8.280 nan 0.000 0.472 149 Q N 0.021 119.971 119.800 0.250 0.000 2.522 149 Q HA 0.675 5.015 4.340 0.000 0.000 0.285 149 Q C -2.006 174.072 176.000 0.129 0.000 0.982 149 Q CA -0.779 55.114 55.803 0.151 0.000 0.805 149 Q CB 2.468 31.279 28.738 0.122 0.000 1.457 149 Q HN 0.282 nan 8.270 nan 0.000 0.394 150 A N 1.413 124.290 122.820 0.094 0.000 2.612 150 A HA 0.773 5.093 4.320 0.000 0.000 0.293 150 A C -2.315 175.339 177.584 0.118 0.000 1.075 150 A CA -0.533 51.590 52.037 0.143 0.000 0.680 150 A CB 1.668 20.852 19.000 0.306 0.000 1.279 150 A HN 0.595 nan 8.150 nan 0.000 0.411 151 L N 0.977 122.295 121.223 0.159 0.000 2.386 151 L HA 0.841 5.181 4.340 0.000 0.000 0.271 151 L C -1.416 175.622 176.870 0.281 0.000 0.993 151 L CA -0.452 54.484 54.840 0.161 0.000 0.819 151 L CB 2.176 44.288 42.059 0.088 0.000 1.294 151 L HN 0.550 nan 8.230 nan 0.000 0.414 152 V N 5.885 125.977 119.914 0.296 0.000 2.487 152 V HA 0.520 4.640 4.120 0.000 0.000 0.298 152 V C -0.296 176.031 176.094 0.388 0.000 1.028 152 V CA -0.526 61.990 62.300 0.359 0.000 0.860 152 V CB 1.518 33.514 31.823 0.290 0.000 0.991 152 V HN 0.640 nan 8.190 nan 0.000 0.427 153 L N 6.085 127.549 121.223 0.401 0.000 2.329 153 L HA 0.759 5.099 4.340 0.000 0.000 0.279 153 L C -0.852 176.365 176.870 0.579 0.000 1.014 153 L CA -0.713 54.369 54.840 0.403 0.000 0.814 153 L CB 1.660 43.871 42.059 0.254 0.000 1.257 153 L HN 0.825 nan 8.230 nan 0.000 0.424 154 Y N 1.181 121.710 120.300 0.381 0.000 2.581 154 Y HA 0.898 5.448 4.550 -0.000 0.000 0.337 154 Y C -1.156 174.636 175.900 -0.181 0.000 1.108 154 Y CA -1.126 57.083 58.100 0.181 0.000 1.033 154 Y CB 1.750 40.272 38.460 0.102 0.000 1.318 154 Y HN 0.608 nan 8.280 nan 0.000 0.459 155 A N 2.069 124.718 122.820 -0.285 0.000 2.549 155 A HA 0.772 5.092 4.320 0.000 0.000 0.297 155 A C -1.773 175.735 177.584 -0.127 0.000 1.061 155 A CA -0.575 51.129 52.037 -0.554 0.000 0.690 155 A CB 1.847 20.060 19.000 -1.312 0.000 1.287 155 A HN 0.791 nan 8.150 nan 0.000 0.402 156 D N -0.022 120.342 120.400 -0.060 0.000 2.636 156 D HA 0.433 5.073 4.640 0.000 0.000 0.275 156 D C -0.778 175.539 176.300 0.028 0.000 1.130 156 D CA -0.507 53.521 54.000 0.047 0.000 1.031 156 D CB 1.456 42.330 40.800 0.124 0.000 1.451 156 D HN 0.496 nan 8.370 nan 0.000 0.505 157 R N 1.132 121.673 120.500 0.069 0.000 2.229 157 R HA 0.225 4.565 4.340 0.000 0.000 0.332 157 R C 0.801 177.140 176.300 0.065 0.000 0.989 157 R CA -0.547 55.589 56.100 0.059 0.000 0.842 157 R CB 1.047 31.387 30.300 0.066 0.000 1.119 157 R HN 0.258 nan 8.270 nan 0.000 0.456 158 L N 2.165 123.414 121.223 0.044 0.000 2.501 158 L HA -0.341 3.999 4.340 0.000 0.000 0.229 158 L C 1.544 178.443 176.870 0.047 0.000 1.143 158 L CA 2.500 57.363 54.840 0.038 0.000 0.837 158 L CB -1.206 40.871 42.059 0.031 0.000 0.978 158 L HN 0.934 nan 8.230 nan 0.000 0.433 159 G N -1.453 107.387 108.800 0.066 0.000 4.716 159 G HA2 0.432 4.392 3.960 0.000 0.000 0.282 159 G HA3 0.432 4.392 3.960 0.000 0.000 0.282 159 G C -0.351 174.631 174.900 0.135 0.000 1.173 159 G CA 0.262 45.409 45.100 0.077 0.000 0.913 159 G HN 0.467 nan 8.290 nan 0.000 0.566 160 D N -1.270 119.237 120.400 0.179 0.000 2.530 160 D HA 0.187 4.827 4.640 0.000 0.000 0.282 160 D C 0.301 176.831 176.300 0.383 0.000 1.204 160 D CA -0.814 53.342 54.000 0.259 0.000 1.093 160 D CB 0.550 41.487 40.800 0.228 0.000 1.154 160 D HN -0.144 nan 8.370 nan 0.000 0.593 161 D N -1.577 119.095 120.400 0.453 0.000 2.338 161 D HA 0.004 4.644 4.640 0.000 0.000 0.239 161 D C -0.137 176.489 176.300 0.543 0.000 1.095 161 D CA -0.088 54.233 54.000 0.536 0.000 0.888 161 D CB -0.354 40.759 40.800 0.522 0.000 0.899 161 D HN 0.302 nan 8.370 nan 0.000 0.525 162 R N -1.405 119.350 120.500 0.426 0.000 3.225 162 R HA -0.186 4.154 4.340 0.000 0.000 0.245 162 R C -1.760 174.760 176.300 0.366 0.000 0.928 162 R CA 0.187 56.472 56.100 0.308 0.000 0.632 162 R CB -1.250 29.133 30.300 0.140 0.000 1.038 162 R HN 0.356 nan 8.270 nan 0.000 0.461 163 P HA -0.208 nan 4.420 nan 0.000 0.215 163 P C 1.053 178.492 177.300 0.232 0.000 1.157 163 P CA 1.183 64.524 63.100 0.401 0.000 0.874 163 P CB 0.068 31.995 31.700 0.379 0.000 0.790 164 c N -2.122 116.584 118.600 0.177 0.000 2.425 164 c HA -0.102 4.468 4.570 0.000 0.000 0.277 164 c C 2.540 176.577 174.090 -0.088 0.000 1.280 164 c CA 0.319 56.697 56.329 0.081 0.000 1.744 164 c CB -2.087 40.535 42.510 0.186 0.000 1.989 164 c HN 0.199 nan 8.230 nan 0.000 0.491 165 F N 0.774 120.622 119.950 -0.170 0.000 2.095 165 F HA -0.140 4.387 4.527 0.000 0.000 0.298 165 F C 1.944 177.462 175.800 -0.470 0.000 1.104 165 F CA 1.790 59.525 58.000 -0.441 0.000 1.232 165 F CB -0.609 38.154 39.000 -0.394 0.000 0.987 165 F HN 0.214 nan 8.300 nan 0.000 0.475 166 F N 0.226 120.132 119.950 -0.074 0.000 2.234 166 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 166 F C 2.296 177.918 175.800 -0.298 0.000 1.087 166 F CA 1.043 58.972 58.000 -0.118 0.000 1.340 166 F CB -0.492 38.614 39.000 0.178 0.000 1.031 166 F HN -0.031 nan 8.300 nan 0.000 0.500 167 I N -0.527 119.818 120.570 -0.375 0.000 2.142 167 I HA -0.284 3.886 4.170 0.000 0.000 0.240 167 I C 2.249 178.114 176.117 -0.419 0.000 1.078 167 I CA 1.102 61.988 61.300 -0.690 0.000 1.343 167 I CB -0.512 37.191 38.000 -0.494 0.000 1.046 167 I HN -0.095 nan 8.210 nan 0.000 0.405 168 V N 0.585 120.215 119.914 -0.473 0.000 2.427 168 V HA -0.280 3.840 4.120 0.000 0.000 0.248 168 V C 2.445 178.243 176.094 -0.493 0.000 1.051 168 V CA 2.020 64.022 62.300 -0.497 0.000 1.048 168 V CB -0.689 30.684 31.823 -0.749 0.000 0.666 168 V HN 0.507 nan 8.190 nan 0.000 0.456 169 E N 0.521 120.340 120.200 -0.636 0.000 2.110 169 E HA -0.177 4.173 4.350 0.000 0.000 0.193 169 E C 2.247 178.736 176.600 -0.186 0.000 0.988 169 E CA 1.442 57.541 56.400 -0.502 0.000 0.804 169 E CB -0.355 28.967 29.700 -0.629 0.000 0.745 169 E HN 0.574 nan 8.360 nan 0.000 0.458 170 G N 1.611 110.341 108.800 -0.117 0.000 2.394 170 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 170 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 170 G C 1.560 176.418 174.900 -0.071 0.000 1.165 170 G CA 0.540 45.628 45.100 -0.020 0.000 0.784 170 G HN 0.317 nan 8.290 nan 0.000 0.535 171 L N -0.888 120.254 121.223 -0.135 0.000 1.994 171 L HA -0.077 4.263 4.340 0.000 0.000 0.208 171 L C 2.572 179.334 176.870 -0.181 0.000 1.071 171 L CA 1.923 56.646 54.840 -0.194 0.000 0.745 171 L CB -0.377 41.521 42.059 -0.268 0.000 0.892 171 L HN 0.335 nan 8.230 nan 0.000 0.431 172 Y N -0.012 120.118 120.300 -0.283 0.000 2.053 172 Y HA -0.368 4.182 4.550 0.000 0.000 0.277 172 Y C 2.549 178.332 175.900 -0.195 0.000 1.159 172 Y CA 2.332 60.276 58.100 -0.261 0.000 1.125 172 Y CB -0.177 38.078 38.460 -0.341 0.000 0.969 172 Y HN 0.159 nan 8.280 nan 0.000 0.492 173 M N -0.084 119.497 119.600 -0.033 0.000 2.108 173 M HA -0.188 4.292 4.480 0.000 0.000 0.261 173 M C 2.285 178.486 176.300 -0.166 0.000 1.066 173 M CA 1.782 57.022 55.300 -0.099 0.000 1.107 173 M CB -1.257 31.348 32.600 0.008 0.000 1.356 173 M HN 0.249 nan 8.290 nan 0.000 0.406 174 R N 0.301 120.717 120.500 -0.141 0.000 2.073 174 R HA -0.012 4.328 4.340 0.000 0.000 0.229 174 R C 2.033 178.222 176.300 -0.186 0.000 1.120 174 R CA 1.255 57.273 56.100 -0.135 0.000 0.967 174 R CB -0.901 29.337 30.300 -0.102 0.000 0.862 174 R HN 0.202 nan 8.270 nan 0.000 0.436 175 V N 1.286 121.049 119.914 -0.251 0.000 2.307 175 V HA -0.178 3.942 4.120 0.000 0.000 0.245 175 V C 2.425 178.348 176.094 -0.285 0.000 1.045 175 V CA 1.867 63.993 62.300 -0.290 0.000 1.024 175 V CB -0.464 31.139 31.823 -0.367 0.000 0.651 175 V HN 0.310 nan 8.190 nan 0.000 0.449 176 R N -0.140 120.139 120.500 -0.369 0.000 2.091 176 R HA -0.225 4.115 4.340 0.000 0.000 0.238 176 R C 2.298 178.464 176.300 -0.224 0.000 1.136 176 R CA 1.860 57.743 56.100 -0.361 0.000 0.959 176 R CB -0.467 29.492 30.300 -0.569 0.000 0.856 176 R HN 0.667 nan 8.270 nan 0.000 0.437 177 E N 0.744 120.829 120.200 -0.193 0.000 2.077 177 E HA -0.179 4.171 4.350 0.000 0.000 0.193 177 E C 1.917 178.455 176.600 -0.103 0.000 0.989 177 E CA 1.140 57.465 56.400 -0.124 0.000 0.800 177 E CB 0.165 29.806 29.700 -0.100 0.000 0.746 177 E HN 0.286 nan 8.360 nan 0.000 0.452 178 R N -0.545 119.886 120.500 -0.115 0.000 2.140 178 R HA 0.122 4.462 4.340 0.000 0.000 0.213 178 R C 2.236 178.481 176.300 -0.092 0.000 1.059 178 R CA 0.528 56.573 56.100 -0.092 0.000 1.000 178 R CB 0.224 30.471 30.300 -0.088 0.000 0.910 178 R HN 0.228 nan 8.270 nan 0.000 0.455 179 L N -0.313 120.839 121.223 -0.119 0.000 2.575 179 L HA 0.180 4.520 4.340 0.000 0.000 0.228 179 L C 0.222 177.036 176.870 -0.093 0.000 1.075 179 L CA -0.208 54.572 54.840 -0.101 0.000 0.867 179 L CB 0.016 42.003 42.059 -0.120 0.000 1.097 179 L HN 0.160 nan 8.230 nan 0.000 0.485 180 N N 1.617 120.251 118.700 -0.111 0.000 2.740 180 N HA -0.204 4.536 4.740 0.000 0.000 0.248 180 N C -0.229 175.238 175.510 -0.071 0.000 1.062 180 N CA 0.539 53.533 53.050 -0.092 0.000 0.704 180 N CB -1.239 37.211 38.487 -0.062 0.000 0.968 180 N HN 0.561 nan 8.380 nan 0.000 0.547 181 I N -3.977 116.542 120.570 -0.085 0.000 2.918 181 I HA 0.496 4.666 4.170 0.000 0.000 0.316 181 I C 0.671 176.768 176.117 -0.032 0.000 1.001 181 I CA -0.828 60.454 61.300 -0.031 0.000 1.142 181 I CB 1.270 39.267 38.000 -0.006 0.000 1.356 181 I HN -0.077 nan 8.210 nan 0.000 0.524 182 T N 3.027 117.593 114.554 0.021 0.000 2.794 182 T HA 0.377 4.727 4.350 0.000 0.000 0.296 182 T C -0.143 174.576 174.700 0.033 0.000 0.949 182 T CA -0.237 61.877 62.100 0.024 0.000 1.101 182 T CB 0.946 69.831 68.868 0.028 0.000 0.905 182 T HN 0.389 nan 8.240 nan 0.000 0.516 183 V N 5.744 125.705 119.914 0.078 0.000 2.305 183 V HA 0.300 4.420 4.120 0.000 0.000 0.275 183 V C 0.049 176.331 176.094 0.313 0.000 1.020 183 V CA -1.153 61.243 62.300 0.159 0.000 0.811 183 V CB 0.932 32.826 31.823 0.118 0.000 1.031 183 V HN 0.763 nan 8.190 nan 0.000 0.439 184 N N 4.576 123.385 118.700 0.181 0.000 2.513 184 N HA 0.478 5.218 4.740 0.000 0.000 0.274 184 N C -0.464 175.182 175.510 0.227 0.000 1.189 184 N CA -0.140 52.985 53.050 0.124 0.000 0.975 184 N CB 1.024 39.500 38.487 -0.018 0.000 1.157 184 N HN 0.874 nan 8.380 nan 0.000 0.465 185 H N -1.705 117.414 119.070 0.082 0.000 3.037 185 H HA 0.474 5.030 4.556 -0.000 0.000 0.355 185 H C -1.335 174.072 175.328 0.131 0.000 1.263 185 H CA -0.876 55.257 56.048 0.141 0.000 1.129 185 H CB 1.757 31.598 29.762 0.133 0.000 1.861 185 H HN 0.591 nan 8.280 nan 0.000 0.546 186 Q N 0.644 120.586 119.800 0.238 0.000 2.503 186 Q HA 0.317 4.657 4.340 0.000 0.000 0.268 186 Q C -1.620 174.236 176.000 -0.241 0.000 0.982 186 Q CA -0.835 54.971 55.803 0.005 0.000 0.907 186 Q CB 2.571 31.263 28.738 -0.077 0.000 1.467 186 Q HN 0.747 nan 8.270 nan 0.000 0.394 187 E N 2.261 122.157 120.200 -0.507 0.000 2.318 187 E HA 0.671 5.021 4.350 0.000 0.000 0.265 187 E C -1.208 175.272 176.600 -0.201 0.000 1.069 187 E CA -0.610 55.342 56.400 -0.746 0.000 0.893 187 E CB 0.811 30.092 29.700 -0.698 0.000 1.076 187 E HN 0.497 nan 8.360 nan 0.000 0.414 188 F N -0.510 119.262 119.950 -0.297 0.000 2.711 188 F HA 0.592 5.119 4.527 0.000 0.000 0.313 188 F C -1.788 174.085 175.800 0.121 0.000 1.141 188 F CA -1.233 56.714 58.000 -0.088 0.000 0.941 188 F CB 0.965 39.891 39.000 -0.124 0.000 1.349 188 F HN 0.094 nan 8.300 nan 0.000 0.464 189 V N 2.180 122.393 119.914 0.498 0.000 2.384 189 V HA 0.227 4.347 4.120 0.000 0.000 0.287 189 V C 0.618 176.836 176.094 0.207 0.000 1.020 189 V CA -0.409 61.957 62.300 0.109 0.000 0.850 189 V CB 1.067 32.912 31.823 0.037 0.000 0.987 189 V HN 0.952 nan 8.190 nan 0.000 0.436 190 E N 3.994 124.252 120.200 0.097 0.000 2.086 190 E HA -0.203 4.147 4.350 0.000 0.000 0.200 190 E C 1.925 178.719 176.600 0.324 0.000 1.012 190 E CA 1.564 58.154 56.400 0.316 0.000 0.812 190 E CB 0.048 29.859 29.700 0.185 0.000 0.743 190 E HN 0.895 nan 8.360 nan 0.000 0.453 191 G N 0.780 109.675 108.800 0.159 0.000 3.124 191 G HA2 -0.097 3.863 3.960 0.000 0.000 0.212 191 G HA3 -0.097 3.863 3.960 0.000 0.000 0.212 191 G C -0.041 174.903 174.900 0.074 0.000 1.181 191 G CA -0.224 44.938 45.100 0.105 0.000 0.803 191 G HN -0.002 nan 8.290 nan 0.000 0.529 192 D N 0.725 121.179 120.400 0.089 0.000 2.443 192 D HA 0.222 4.862 4.640 0.000 0.000 0.221 192 D C -1.037 175.347 176.300 0.140 0.000 1.097 192 D CA -2.326 51.654 54.000 -0.034 0.000 0.865 192 D CB 2.126 42.691 40.800 -0.392 0.000 1.034 192 D HN 0.028 nan 8.370 nan 0.000 0.511 193 P HA -0.120 nan 4.420 nan 0.000 0.221 193 P C 0.514 177.945 177.300 0.219 0.000 1.145 193 P CA 0.622 63.792 63.100 0.116 0.000 0.795 193 P CB 0.614 32.304 31.700 -0.017 0.000 0.775 194 D N -0.886 119.589 120.400 0.124 0.000 2.263 194 D HA -0.139 4.501 4.640 0.000 0.000 0.208 194 D C 1.793 178.243 176.300 0.249 0.000 0.971 194 D CA 1.001 55.084 54.000 0.139 0.000 0.867 194 D CB -0.765 40.091 40.800 0.093 0.000 0.929 194 D HN 0.494 nan 8.370 nan 0.000 0.492 195 H N -1.575 117.567 119.070 0.120 0.000 2.544 195 H HA -0.003 4.553 4.556 0.000 0.000 0.269 195 H C 1.275 176.456 175.328 -0.244 0.000 0.970 195 H CA 0.110 56.123 56.048 -0.058 0.000 1.219 195 H CB 0.316 30.031 29.762 -0.079 0.000 1.421 195 H HN 0.180 nan 8.280 nan 0.000 0.555 196 Y N 0.527 120.849 120.300 0.037 0.000 2.224 196 Y HA -0.094 4.456 4.550 0.000 0.000 0.289 196 Y C -0.535 175.325 175.900 -0.066 0.000 1.146 196 Y CA 0.529 58.591 58.100 -0.063 0.000 1.182 196 Y CB -1.382 37.038 38.460 -0.067 0.000 0.983 196 Y HN 0.232 nan 8.280 nan 0.000 0.524 197 P HA -0.156 nan 4.420 nan 0.000 0.216 197 P C 1.147 178.430 177.300 -0.030 0.000 1.153 197 P CA 1.972 65.085 63.100 0.022 0.000 0.848 197 P CB 0.014 31.735 31.700 0.035 0.000 0.787 198 K N -0.617 119.753 120.400 -0.049 0.000 2.057 198 K HA -0.073 4.247 4.320 0.000 0.000 0.207 198 K C 2.109 178.629 176.600 -0.133 0.000 1.049 198 K CA 1.145 57.379 56.287 -0.088 0.000 0.931 198 K CB -0.781 31.651 32.500 -0.113 0.000 0.714 198 K HN 0.190 nan 8.250 nan 0.000 0.440 199 L N 0.876 121.971 121.223 -0.212 0.000 2.027 199 L HA -0.182 4.158 4.340 0.000 0.000 0.206 199 L C 2.361 179.134 176.870 -0.163 0.000 1.074 199 L CA 0.746 55.428 54.840 -0.264 0.000 0.745 199 L CB -0.395 41.359 42.059 -0.509 0.000 0.898 199 L HN 0.165 nan 8.230 nan 0.000 0.433 200 L N -0.125 121.018 121.223 -0.134 0.000 2.083 200 L HA -0.205 4.135 4.340 0.000 0.000 0.209 200 L C 2.686 179.530 176.870 -0.043 0.000 1.083 200 L CA 1.632 56.420 54.840 -0.086 0.000 0.752 200 L CB -1.093 40.923 42.059 -0.071 0.000 0.899 200 L HN 0.367 nan 8.230 nan 0.000 0.433 201 R N -0.031 120.445 120.500 -0.040 0.000 2.075 201 R HA -0.103 4.237 4.340 0.000 0.000 0.232 201 R C 2.290 178.587 176.300 -0.004 0.000 1.126 201 R CA 1.326 57.417 56.100 -0.015 0.000 0.963 201 R CB -0.013 30.275 30.300 -0.020 0.000 0.858 201 R HN 0.269 nan 8.270 nan 0.000 0.435 202 A N 0.311 123.113 122.820 -0.029 0.000 1.933 202 A HA -0.082 4.238 4.320 0.000 0.000 0.218 202 A C 2.220 179.817 177.584 0.022 0.000 1.175 202 A CA 1.387 53.411 52.037 -0.023 0.000 0.628 202 A CB -0.460 18.508 19.000 -0.053 0.000 0.814 202 A HN 0.224 nan 8.150 nan 0.000 0.444 203 V N -0.027 119.913 119.914 0.044 0.000 2.295 203 V HA -0.284 3.836 4.120 0.000 0.000 0.246 203 V C 2.675 178.904 176.094 0.225 0.000 1.049 203 V CA 2.346 64.729 62.300 0.137 0.000 1.024 203 V CB -0.751 31.152 31.823 0.134 0.000 0.648 203 V HN 0.542 nan 8.190 nan 0.000 0.447 204 R N -0.438 120.163 120.500 0.169 0.000 2.081 204 R HA -0.114 4.226 4.340 0.000 0.000 0.235 204 R C 2.506 178.942 176.300 0.227 0.000 1.131 204 R CA 1.542 57.777 56.100 0.226 0.000 0.960 204 R CB -0.293 30.083 30.300 0.128 0.000 0.856 204 R HN 0.472 nan 8.270 nan 0.000 0.436 205 R N 0.012 120.594 120.500 0.137 0.000 2.119 205 R HA 0.022 4.362 4.340 0.000 0.000 0.222 205 R C 1.385 177.704 176.300 0.033 0.000 1.088 205 R CA 0.781 56.946 56.100 0.110 0.000 0.984 205 R CB 0.240 30.563 30.300 0.037 0.000 0.884 205 R HN 0.009 nan 8.270 nan 0.000 0.447 206 K N -0.608 119.755 120.400 -0.061 0.000 2.402 206 K HA 0.277 4.597 4.320 0.000 0.000 0.204 206 K C 0.359 176.662 176.600 -0.495 0.000 1.056 206 K CA 0.243 56.331 56.287 -0.333 0.000 1.069 206 K CB 2.095 34.485 32.500 -0.183 0.000 0.888 206 K HN 0.171 nan 8.250 nan 0.000 0.546 207 G N 0.175 108.898 108.800 -0.129 0.000 2.601 207 G HA2 0.362 4.322 3.960 0.000 0.000 0.291 207 G HA3 0.362 4.322 3.960 0.000 0.000 0.291 207 G C -0.285 174.735 174.900 0.199 0.000 1.456 207 G CA -0.457 44.645 45.100 0.004 0.000 0.804 207 G HN -0.184 nan 8.290 nan 0.000 0.499 208 R N -0.798 119.726 120.500 0.041 0.000 2.383 208 R HA 0.249 4.589 4.340 0.000 0.000 0.205 208 R C 0.489 176.552 176.300 -0.395 0.000 0.875 208 R CA 0.218 56.122 56.100 -0.327 0.000 1.039 208 R CB 0.590 30.647 30.300 -0.406 0.000 1.267 208 R HN 0.316 nan 8.270 nan 0.000 0.635 209 V N 4.306 123.995 119.914 -0.375 0.000 2.333 209 V HA 0.335 4.455 4.120 0.000 0.000 0.274 209 V C -0.174 175.777 176.094 -0.237 0.000 1.028 209 V CA -0.340 61.649 62.300 -0.517 0.000 0.851 209 V CB 1.550 32.880 31.823 -0.821 0.000 1.000 209 V HN 0.000 nan 8.190 nan 0.000 0.456 210 I N 5.367 125.787 120.570 -0.250 0.000 2.509 210 I HA 0.497 4.667 4.170 0.000 0.000 0.293 210 I C -0.769 175.346 176.117 -0.004 0.000 1.020 210 I CA -0.846 60.440 61.300 -0.023 0.000 1.088 210 I CB 1.722 39.773 38.000 0.084 0.000 1.267 210 I HN 0.454 nan 8.210 nan 0.000 0.430 211 Y N 5.451 125.941 120.300 0.317 0.000 2.393 211 Y HA 0.625 5.175 4.550 -0.000 0.000 0.341 211 Y C 0.134 176.247 175.900 0.355 0.000 0.988 211 Y CA -0.631 57.684 58.100 0.358 0.000 1.078 211 Y CB 2.173 40.774 38.460 0.234 0.000 1.203 211 Y HN 0.313 nan 8.280 nan 0.000 0.453 212 I N 3.089 123.981 120.570 0.536 0.000 2.478 212 I HA 0.289 4.459 4.170 0.000 0.000 0.287 212 I C -1.159 175.247 176.117 0.480 0.000 1.042 212 I CA -0.636 60.967 61.300 0.504 0.000 1.067 212 I CB 1.654 39.986 38.000 0.554 0.000 1.233 212 I HN 0.575 nan 8.210 nan 0.000 0.431 213 c N 6.567 125.425 118.600 0.429 0.000 2.271 213 c HA 0.834 5.404 4.570 0.000 0.000 0.323 213 c C 0.295 174.597 174.090 0.352 0.000 1.245 213 c CA 0.047 56.583 56.329 0.344 0.000 1.548 213 c CB -0.788 41.857 42.510 0.225 0.000 2.214 213 c HN 0.949 nan 8.230 nan 0.000 0.477 214 S N 3.502 119.431 115.700 0.382 0.000 2.655 214 S HA 0.634 5.104 4.470 0.000 0.000 0.266 214 S C -0.499 174.312 174.600 0.353 0.000 1.149 214 S CA -0.144 58.246 58.200 0.316 0.000 0.818 214 S CB 0.615 64.063 63.200 0.413 0.000 1.130 214 S HN 1.498 nan 8.310 nan 0.000 0.476 215 S N 0.275 116.133 115.700 0.264 0.000 2.600 215 S HA 0.447 4.917 4.470 0.000 0.000 0.265 215 S C -1.972 172.794 174.600 0.278 0.000 1.325 215 S CA -0.578 57.767 58.200 0.241 0.000 1.002 215 S CB -0.034 63.271 63.200 0.175 0.000 0.921 215 S HN 0.517 nan 8.310 nan 0.000 0.554 216 P HA -0.071 nan 4.420 nan 0.000 0.215 216 P C 0.663 178.101 177.300 0.230 0.000 1.153 216 P CA 1.259 64.529 63.100 0.283 0.000 0.853 216 P CB -0.042 31.769 31.700 0.186 0.000 0.788 217 D N -1.006 119.498 120.400 0.173 0.000 2.144 217 D HA -0.081 4.559 4.640 0.000 0.000 0.200 217 D C 1.995 178.392 176.300 0.162 0.000 0.978 217 D CA 1.367 55.453 54.000 0.143 0.000 0.833 217 D CB -0.808 40.052 40.800 0.100 0.000 0.961 217 D HN 0.041 nan 8.370 nan 0.000 0.470 218 A N 0.086 123.031 122.820 0.209 0.000 1.930 218 A HA -0.141 4.179 4.320 0.000 0.000 0.217 218 A C 2.055 179.753 177.584 0.190 0.000 1.175 218 A CA 0.803 53.001 52.037 0.268 0.000 0.627 218 A CB -0.867 18.371 19.000 0.396 0.000 0.815 218 A HN 0.245 nan 8.150 nan 0.000 0.443 219 F N 0.508 120.447 119.950 -0.017 0.000 2.113 219 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 219 F C 2.347 178.096 175.800 -0.085 0.000 1.103 219 F CA 1.891 59.781 58.000 -0.184 0.000 1.248 219 F CB -0.260 38.384 39.000 -0.594 0.000 0.999 219 F HN 0.210 nan 8.300 nan 0.000 0.475 220 R N 0.362 120.948 120.500 0.142 0.000 2.083 220 R HA -0.197 4.143 4.340 0.000 0.000 0.237 220 R C 2.045 178.351 176.300 0.011 0.000 1.137 220 R CA 1.925 58.155 56.100 0.216 0.000 0.951 220 R CB -0.445 30.023 30.300 0.281 0.000 0.851 220 R HN 0.257 nan 8.270 nan 0.000 0.434 221 N N 0.739 119.439 118.700 -0.001 0.000 2.120 221 N HA -0.161 4.579 4.740 0.000 0.000 0.188 221 N C 1.841 177.287 175.510 -0.107 0.000 1.024 221 N CA 1.267 54.295 53.050 -0.037 0.000 0.852 221 N CB -0.259 38.221 38.487 -0.012 0.000 1.003 221 N HN 0.269 nan 8.380 nan 0.000 0.424 222 L N 0.153 121.272 121.223 -0.173 0.000 2.083 222 L HA -0.099 4.241 4.340 0.000 0.000 0.209 222 L C 2.173 178.729 176.870 -0.524 0.000 1.083 222 L CA 0.784 55.434 54.840 -0.316 0.000 0.752 222 L CB -0.280 41.541 42.059 -0.397 0.000 0.899 222 L HN 0.151 nan 8.230 nan 0.000 0.433 223 M N -0.617 118.596 119.600 -0.645 0.000 2.132 223 M HA -0.152 4.328 4.480 0.000 0.000 0.263 223 M C 2.351 178.447 176.300 -0.340 0.000 1.065 223 M CA 1.676 56.568 55.300 -0.679 0.000 1.122 223 M CB -0.952 31.214 32.600 -0.723 0.000 1.365 223 M HN 0.234 nan 8.290 nan 0.000 0.411 224 L N -0.382 120.731 121.223 -0.183 0.000 2.083 224 L HA -0.200 4.140 4.340 0.000 0.000 0.209 224 L C 2.423 179.213 176.870 -0.133 0.000 1.083 224 L CA 0.895 55.673 54.840 -0.103 0.000 0.752 224 L CB -0.576 41.452 42.059 -0.052 0.000 0.899 224 L HN 0.248 nan 8.230 nan 0.000 0.433 225 L N -0.772 120.355 121.223 -0.160 0.000 2.093 225 L HA -0.161 4.179 4.340 0.000 0.000 0.208 225 L C 2.845 179.608 176.870 -0.178 0.000 1.085 225 L CA 0.996 55.753 54.840 -0.138 0.000 0.755 225 L CB -0.636 41.361 42.059 -0.104 0.000 0.904 225 L HN 0.234 nan 8.230 nan 0.000 0.435 226 A N 0.060 122.710 122.820 -0.283 0.000 1.877 226 A HA -0.232 4.088 4.320 0.000 0.000 0.216 226 A C 2.199 179.662 177.584 -0.201 0.000 1.186 226 A CA 1.660 53.514 52.037 -0.305 0.000 0.620 226 A CB -0.690 17.975 19.000 -0.558 0.000 0.822 226 A HN 0.321 nan 8.150 nan 0.000 0.443 227 L N 0.867 121.986 121.223 -0.173 0.000 2.017 227 L HA -0.196 4.144 4.340 0.000 0.000 0.208 227 L C 2.116 178.941 176.870 -0.075 0.000 1.073 227 L CA 2.494 57.277 54.840 -0.095 0.000 0.745 227 L CB -0.773 41.245 42.059 -0.069 0.000 0.894 227 L HN 0.573 nan 8.230 nan 0.000 0.432 228 N N -0.227 118.425 118.700 -0.080 0.000 2.223 228 N HA -0.173 4.567 4.740 0.000 0.000 0.185 228 N C 1.464 176.940 175.510 -0.057 0.000 1.016 228 N CA 1.189 54.202 53.050 -0.060 0.000 0.863 228 N CB 0.029 38.481 38.487 -0.059 0.000 0.983 228 N HN 0.503 nan 8.380 nan 0.000 0.429 229 A N -0.104 122.671 122.820 -0.075 0.000 2.259 229 A HA 0.315 4.635 4.320 0.000 0.000 0.208 229 A C 1.320 178.869 177.584 -0.058 0.000 1.201 229 A CA 0.724 52.721 52.037 -0.066 0.000 0.824 229 A CB -0.552 18.396 19.000 -0.085 0.000 0.838 229 A HN 0.431 nan 8.150 nan 0.000 0.485 230 G N -0.772 107.996 108.800 -0.054 0.000 2.160 230 G HA2 -0.220 3.740 3.960 0.000 0.000 0.251 230 G HA3 -0.220 3.740 3.960 0.000 0.000 0.251 230 G C -0.008 174.874 174.900 -0.031 0.000 1.008 230 G CA 0.331 45.414 45.100 -0.029 0.000 0.724 230 G HN 0.549 nan 8.290 nan 0.000 0.514 231 L N 2.207 123.366 121.223 -0.108 0.000 2.282 231 L HA 0.488 4.828 4.340 0.000 0.000 0.287 231 L C 1.183 178.038 176.870 -0.025 0.000 1.075 231 L CA -0.057 54.648 54.840 -0.225 0.000 0.839 231 L CB 0.492 42.156 42.059 -0.658 0.000 1.219 231 L HN 0.382 nan 8.230 nan 0.000 0.434 232 T N -1.459 113.167 114.554 0.120 0.000 2.910 232 T HA 0.366 4.716 4.350 0.000 0.000 0.279 232 T C 1.305 176.120 174.700 0.192 0.000 0.989 232 T CA -0.080 62.104 62.100 0.140 0.000 0.968 232 T CB 1.765 70.684 68.868 0.085 0.000 1.135 232 T HN 0.479 nan 8.240 nan 0.000 0.562 233 G N -0.535 108.349 108.800 0.140 0.000 2.625 233 G HA2 -0.035 3.925 3.960 0.000 0.000 0.214 233 G HA3 -0.035 3.925 3.960 0.000 0.000 0.214 233 G C 1.030 175.956 174.900 0.044 0.000 1.132 233 G CA 0.310 45.481 45.100 0.119 0.000 0.782 233 G HN 0.876 nan 8.290 nan 0.000 0.538 234 E N 0.272 120.477 120.200 0.009 0.000 2.158 234 E HA -0.018 4.332 4.350 0.000 0.000 0.191 234 E C 1.176 177.718 176.600 -0.097 0.000 0.982 234 E CA 0.963 57.316 56.400 -0.079 0.000 0.823 234 E CB 0.161 29.823 29.700 -0.063 0.000 0.766 234 E HN 0.363 nan 8.360 nan 0.000 0.468 235 D N -1.235 119.140 120.400 -0.041 0.000 2.473 235 D HA 0.071 4.711 4.640 0.000 0.000 0.230 235 D C -0.275 175.776 176.300 -0.415 0.000 1.097 235 D CA 0.298 54.176 54.000 -0.202 0.000 0.861 235 D CB 0.683 41.373 40.800 -0.183 0.000 1.114 235 D HN 0.055 nan 8.370 nan 0.000 0.500 236 Y N 0.173 120.364 120.300 -0.181 0.000 2.536 236 Y HA 0.512 5.062 4.550 0.000 0.000 0.347 236 Y C -0.299 175.364 175.900 -0.394 0.000 1.000 236 Y CA -1.117 56.760 58.100 -0.372 0.000 1.051 236 Y CB 2.615 40.777 38.460 -0.496 0.000 1.259 236 Y HN -0.367 nan 8.280 nan 0.000 0.468 237 V N 3.769 123.414 119.914 -0.448 0.000 2.623 237 V HA 0.573 4.693 4.120 0.000 0.000 0.304 237 V C -1.943 173.761 176.094 -0.649 0.000 1.054 237 V CA -0.913 61.161 62.300 -0.376 0.000 0.882 237 V CB 1.047 32.791 31.823 -0.133 0.000 1.002 237 V HN 0.593 nan 8.190 nan 0.000 0.424 238 F N 6.899 126.741 119.950 -0.180 0.000 2.375 238 F HA 0.594 5.121 4.527 0.000 0.000 0.361 238 F C -0.317 175.460 175.800 -0.039 0.000 1.117 238 F CA -0.523 57.443 58.000 -0.057 0.000 1.037 238 F CB 1.375 40.375 39.000 -0.000 0.000 1.192 238 F HN 0.355 nan 8.300 nan 0.000 0.452 239 F N 2.251 122.317 119.950 0.194 0.000 2.391 239 F HA 0.220 4.747 4.527 -0.000 0.000 0.359 239 F C 0.592 176.538 175.800 0.242 0.000 1.122 239 F CA -0.606 57.502 58.000 0.181 0.000 1.120 239 F CB 0.620 39.626 39.000 0.010 0.000 1.142 239 F HN 0.478 nan 8.300 nan 0.000 0.483 240 H N 5.220 124.295 119.070 0.009 0.000 2.782 240 H HA 0.314 4.870 4.556 -0.000 0.000 0.285 240 H C -0.451 174.860 175.328 -0.029 0.000 1.093 240 H CA -0.718 55.101 56.048 -0.382 0.000 1.410 240 H CB 0.686 29.664 29.762 -1.307 0.000 1.439 240 H HN 0.582 nan 8.280 nan 0.000 0.469 241 L N 6.128 127.478 121.223 0.211 0.000 2.401 241 L HA 0.027 4.367 4.340 0.000 0.000 0.283 241 L C 0.079 176.848 176.870 -0.170 0.000 1.151 241 L CA 0.086 54.966 54.840 0.067 0.000 0.942 241 L CB 0.004 42.136 42.059 0.123 0.000 1.283 241 L HN 0.667 nan 8.230 nan 0.000 0.442 242 D N 1.877 122.054 120.400 -0.371 0.000 2.634 242 D HA 0.106 4.746 4.640 0.000 0.000 0.318 242 D C 1.182 177.298 176.300 -0.307 0.000 1.226 242 D CA -0.394 53.328 54.000 -0.465 0.000 0.899 242 D CB 0.907 41.207 40.800 -0.832 0.000 1.025 242 D HN 0.230 nan 8.370 nan 0.000 0.501 243 V N -0.207 119.485 119.914 -0.371 0.000 2.380 243 V HA -0.161 3.959 4.120 0.000 0.000 0.251 243 V C 1.559 177.266 176.094 -0.645 0.000 1.063 243 V CA 1.372 63.215 62.300 -0.762 0.000 1.055 243 V CB -1.132 29.901 31.823 -1.316 0.000 0.657 243 V HN 0.307 nan 8.190 nan 0.000 0.455 244 F N 1.812 121.704 119.950 -0.098 0.000 2.660 244 F HA 0.574 5.101 4.527 0.000 0.000 0.302 244 F C 1.860 177.659 175.800 -0.002 0.000 1.103 244 F CA 0.313 58.344 58.000 0.053 0.000 1.340 244 F CB -0.121 38.949 39.000 0.117 0.000 1.048 244 F HN 0.383 nan 8.300 nan 0.000 0.551 245 G N 0.991 109.805 108.800 0.024 0.000 2.323 245 G HA2 -0.306 3.654 3.960 0.000 0.000 0.292 245 G HA3 -0.306 3.654 3.960 0.000 0.000 0.292 245 G C 1.058 175.921 174.900 -0.061 0.000 1.040 245 G CA 0.174 45.222 45.100 -0.087 0.000 0.942 245 G HN 0.358 nan 8.290 nan 0.000 0.506 246 Q N -0.013 119.777 119.800 -0.017 0.000 2.291 246 Q HA -0.088 4.252 4.340 0.000 0.000 0.206 246 Q C 2.659 178.644 176.000 -0.025 0.000 0.976 246 Q CA 1.668 57.476 55.803 0.008 0.000 0.875 246 Q CB -0.222 28.549 28.738 0.056 0.000 0.927 246 Q HN 1.012 nan 8.270 nan 0.000 0.450 247 S N -0.895 114.765 115.700 -0.068 0.000 2.593 247 S HA 0.182 4.652 4.470 0.000 0.000 0.217 247 S C 0.795 175.300 174.600 -0.158 0.000 0.966 247 S CA -0.219 57.948 58.200 -0.054 0.000 0.914 247 S CB 0.000 63.221 63.200 0.035 0.000 0.776 247 S HN 0.095 nan 8.310 nan 0.000 0.523 248 L N 0.957 122.055 121.223 -0.209 0.000 2.330 248 L HA 0.604 4.944 4.340 0.000 0.000 0.271 248 L C 0.000 176.777 176.870 -0.154 0.000 1.013 248 L CA -0.909 53.770 54.840 -0.268 0.000 0.816 248 L CB 1.839 43.601 42.059 -0.494 0.000 1.287 248 L HN -0.027 nan 8.230 nan 0.000 0.435 257 Q N 1.172 121.031 119.800 0.098 0.000 2.296 257 Q HA 0.366 4.706 4.340 0.000 0.000 0.257 257 Q C -0.539 175.433 176.000 -0.046 0.000 0.942 257 Q CA 0.124 55.938 55.803 0.019 0.000 0.939 257 Q CB 1.687 30.470 28.738 0.075 0.000 1.198 257 Q HN 0.304 nan 8.270 nan 0.000 0.429 258 K N 3.724 123.940 120.400 -0.308 0.000 2.762 258 K HA 0.213 4.533 4.320 0.000 0.000 0.180 258 K C -1.792 174.266 176.600 -0.903 0.000 1.067 258 K CA -1.379 54.452 56.287 -0.761 0.000 0.973 258 K CB 1.515 33.427 32.500 -0.979 0.000 1.290 258 K HN 0.270 nan 8.250 nan 0.000 0.604 259 P HA -0.171 nan 4.420 nan 0.000 0.225 259 P C 0.688 177.613 177.300 -0.625 0.000 1.148 259 P CA 0.968 63.754 63.100 -0.523 0.000 0.779 259 P CB -0.016 31.459 31.700 -0.376 0.000 0.780 260 W N 0.418 121.257 121.300 -0.768 0.000 3.139 260 W HA 0.287 4.947 4.660 0.000 0.000 0.260 260 W C 0.319 176.597 176.519 -0.401 0.000 1.312 260 W CA -0.386 56.390 57.345 -0.948 0.000 1.606 260 W CB -0.910 27.821 29.460 -1.215 0.000 1.118 260 W HN 0.028 nan 8.180 nan 0.000 0.675 261 E N 1.946 121.806 120.200 -0.566 0.000 2.259 261 E HA 0.116 4.466 4.350 0.000 0.000 0.281 261 E C 0.789 177.289 176.600 -0.167 0.000 1.037 261 E CA -0.096 56.108 56.400 -0.328 0.000 0.854 261 E CB 0.736 30.043 29.700 -0.655 0.000 1.051 261 E HN -0.154 nan 8.360 nan 0.000 0.409 262 R N 2.519 122.989 120.500 -0.050 0.000 2.582 262 R HA 0.147 4.487 4.340 0.000 0.000 0.285 262 R C 0.630 176.918 176.300 -0.020 0.000 0.940 262 R CA 0.571 56.647 56.100 -0.039 0.000 1.072 262 R CB 0.823 31.115 30.300 -0.014 0.000 1.527 262 R HN 0.817 nan 8.270 nan 0.000 0.538 263 G N 3.317 112.118 108.800 0.002 0.000 2.221 263 G HA2 -0.267 3.693 3.960 0.000 0.000 0.265 263 G HA3 -0.267 3.693 3.960 0.000 0.000 0.265 263 G C 0.050 174.955 174.900 0.008 0.000 1.041 263 G CA 0.870 45.975 45.100 0.008 0.000 0.807 263 G HN 0.457 nan 8.290 nan 0.000 0.502 264 D N -1.122 119.286 120.400 0.013 0.000 2.424 264 D HA 0.400 5.040 4.640 0.000 0.000 0.220 264 D C 1.624 177.929 176.300 0.009 0.000 1.150 264 D CA 0.108 54.112 54.000 0.007 0.000 0.831 264 D CB -0.365 40.437 40.800 0.003 0.000 0.981 264 D HN 1.445 nan 8.370 nan 0.000 0.500 265 G N 0.761 109.570 108.800 0.016 0.000 2.176 265 G HA2 -0.324 3.636 3.960 0.000 0.000 0.253 265 G HA3 -0.324 3.636 3.960 0.000 0.000 0.253 265 G C 0.660 175.568 174.900 0.013 0.000 0.979 265 G CA 0.332 45.439 45.100 0.012 0.000 0.641 265 G HN 0.471 nan 8.290 nan 0.000 0.530 266 Q N -0.412 119.402 119.800 0.022 0.000 2.139 266 Q HA 0.199 4.539 4.340 0.000 0.000 0.219 266 Q C 0.819 176.842 176.000 0.038 0.000 0.805 266 Q CA -0.110 55.704 55.803 0.019 0.000 1.024 266 Q CB 0.540 29.285 28.738 0.013 0.000 1.163 266 Q HN 0.320 nan 8.270 nan 0.000 0.485 267 D N 1.455 121.898 120.400 0.073 0.000 2.178 267 D HA -0.128 4.512 4.640 0.000 0.000 0.202 267 D C 1.662 177.962 176.300 -0.000 0.000 0.974 267 D CA 0.947 55.036 54.000 0.147 0.000 0.841 267 D CB 0.151 41.112 40.800 0.268 0.000 0.953 267 D HN 0.195 nan 8.370 nan 0.000 0.478 268 R N 0.462 120.944 120.500 -0.030 0.000 2.073 268 R HA -0.063 4.277 4.340 0.000 0.000 0.234 268 R C 2.292 178.512 176.300 -0.133 0.000 1.134 268 R CA 1.212 57.251 56.100 -0.103 0.000 0.952 268 R CB 0.020 30.288 30.300 -0.054 0.000 0.850 268 R HN 0.005 nan 8.270 nan 0.000 0.433 269 S N 0.249 115.906 115.700 -0.072 0.000 2.383 269 S HA -0.113 4.357 4.470 0.000 0.000 0.227 269 S C 1.918 176.485 174.600 -0.054 0.000 1.026 269 S CA 1.126 59.292 58.200 -0.057 0.000 0.981 269 S CB -0.093 63.089 63.200 -0.030 0.000 0.818 269 S HN 0.510 nan 8.310 nan 0.000 0.472 270 A N 1.874 124.672 122.820 -0.037 0.000 1.902 270 A HA -0.109 4.211 4.320 0.000 0.000 0.217 270 A C 2.071 179.575 177.584 -0.133 0.000 1.181 270 A CA 1.561 53.615 52.037 0.030 0.000 0.623 270 A CB -0.539 18.520 19.000 0.097 0.000 0.818 270 A HN 0.448 nan 8.150 nan 0.000 0.443 271 R N -0.764 119.392 120.500 -0.573 0.000 2.073 271 R HA -0.229 4.111 4.340 0.000 0.000 0.234 271 R C 2.384 178.420 176.300 -0.440 0.000 1.134 271 R CA 2.021 57.410 56.100 -1.184 0.000 0.952 271 R CB -0.312 29.061 30.300 -1.546 0.000 0.850 271 R HN 0.520 nan 8.270 nan 0.000 0.433 272 Q N 0.351 120.002 119.800 -0.249 0.000 2.096 272 Q HA -0.105 4.235 4.340 0.000 0.000 0.204 272 Q C 1.851 177.864 176.000 0.022 0.000 0.982 272 Q CA 2.314 58.065 55.803 -0.087 0.000 0.850 272 Q CB -0.356 28.341 28.738 -0.069 0.000 0.901 272 Q HN 0.463 nan 8.270 nan 0.000 0.422 273 A N -0.748 122.102 122.820 0.050 0.000 1.933 273 A HA -0.125 4.195 4.320 0.000 0.000 0.218 273 A C 1.680 179.371 177.584 0.178 0.000 1.175 273 A CA 1.278 53.365 52.037 0.083 0.000 0.628 273 A CB -0.819 18.214 19.000 0.055 0.000 0.814 273 A HN 0.472 nan 8.150 nan 0.000 0.444 274 F N 0.484 120.462 119.950 0.047 0.000 2.699 274 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 274 F C 2.344 178.342 175.800 0.330 0.000 1.154 274 F CA 0.824 58.974 58.000 0.250 0.000 1.457 274 F CB -0.397 38.844 39.000 0.401 0.000 1.106 274 F HN 0.356 nan 8.300 nan 0.000 0.585 275 Q N -0.510 119.491 119.800 0.335 0.000 2.291 275 Q HA -0.113 4.227 4.340 0.000 0.000 0.206 275 Q C 2.018 178.227 176.000 0.349 0.000 0.976 275 Q CA 1.212 57.232 55.803 0.362 0.000 0.875 275 Q CB -0.202 28.715 28.738 0.298 0.000 0.927 275 Q HN 0.380 nan 8.270 nan 0.000 0.450 276 A N -0.211 122.772 122.820 0.272 0.000 2.345 276 A HA 0.490 4.810 4.320 0.000 0.000 0.225 276 A C 0.410 178.158 177.584 0.274 0.000 1.243 276 A CA 0.131 52.324 52.037 0.260 0.000 0.875 276 A CB 0.307 19.496 19.000 0.316 0.000 0.929 276 A HN 0.217 nan 8.150 nan 0.000 0.502 277 A N 0.172 123.161 122.820 0.283 0.000 2.356 277 A HA 0.762 5.082 4.320 0.000 0.000 0.323 277 A C -0.274 177.560 177.584 0.416 0.000 1.119 277 A CA -0.606 51.608 52.037 0.295 0.000 0.790 277 A CB 1.074 20.140 19.000 0.110 0.000 1.273 277 A HN 0.272 nan 8.150 nan 0.000 0.452 278 K N 0.697 121.278 120.400 0.301 0.000 2.477 278 K HA 0.669 4.989 4.320 0.000 0.000 0.255 278 K C -1.621 175.238 176.600 0.431 0.000 0.952 278 K CA -0.489 56.055 56.287 0.428 0.000 0.826 278 K CB 2.497 35.132 32.500 0.224 0.000 1.331 278 K HN 0.602 nan 8.250 nan 0.000 0.437 279 I N 2.536 123.404 120.570 0.497 0.000 2.436 279 I HA 0.388 4.558 4.170 0.000 0.000 0.289 279 I C -0.528 175.842 176.117 0.422 0.000 1.010 279 I CA -0.779 60.700 61.300 0.300 0.000 1.098 279 I CB 1.571 39.603 38.000 0.053 0.000 1.266 279 I HN 0.354 nan 8.210 nan 0.000 0.434 280 I N 5.685 126.448 120.570 0.322 0.000 2.321 280 I HA 0.379 4.549 4.170 0.000 0.000 0.291 280 I C 0.264 176.469 176.117 0.148 0.000 0.998 280 I CA -0.075 61.421 61.300 0.327 0.000 1.227 280 I CB 1.578 39.783 38.000 0.342 0.000 1.368 280 I HN 0.646 nan 8.210 nan 0.000 0.466 281 T N 1.872 116.556 114.554 0.216 0.000 2.887 281 T HA 0.492 4.842 4.350 0.000 0.000 0.292 281 T C -0.455 174.302 174.700 0.094 0.000 1.087 281 T CA -0.779 61.369 62.100 0.080 0.000 1.009 281 T CB 0.993 69.978 68.868 0.194 0.000 1.203 281 T HN 0.257 nan 8.240 nan 0.000 0.518 282 Y N 0.892 121.182 120.300 -0.016 0.000 2.457 282 Y HA 0.267 4.817 4.550 -0.000 0.000 0.341 282 Y C 1.349 177.189 175.900 -0.099 0.000 1.240 282 Y CA -0.700 57.244 58.100 -0.261 0.000 1.437 282 Y CB 0.725 39.014 38.460 -0.285 0.000 1.328 282 Y HN 0.574 nan 8.280 nan 0.000 0.588 283 K N 2.523 122.923 120.400 -0.001 0.000 2.298 283 K HA 0.031 4.351 4.320 0.000 0.000 0.280 283 K C -0.616 175.981 176.600 -0.004 0.000 1.032 283 K CA -0.491 55.801 56.287 0.009 0.000 0.958 283 K CB 0.726 33.197 32.500 -0.049 0.000 0.978 283 K HN 0.600 nan 8.250 nan 0.000 0.472 284 E N 5.484 125.707 120.200 0.039 0.000 2.257 284 E HA 0.138 4.488 4.350 0.000 0.000 0.278 284 E C -2.368 174.153 176.600 -0.131 0.000 1.049 284 E CA -1.835 54.567 56.400 0.002 0.000 0.876 284 E CB 0.668 30.435 29.700 0.112 0.000 1.035 284 E HN 0.296 nan 8.360 nan 0.000 0.419 285 P HA 0.025 nan 4.420 nan 0.000 0.265 285 P C -0.817 176.364 177.300 -0.199 0.000 1.193 285 P CA 0.236 63.092 63.100 -0.407 0.000 0.765 285 P CB 0.476 31.625 31.700 -0.917 0.000 0.823 286 D N 1.251 121.602 120.400 -0.081 0.000 2.804 286 D HA 0.016 4.656 4.640 0.000 0.000 0.308 286 D C -0.583 175.734 176.300 0.027 0.000 1.371 286 D CA -0.485 53.518 54.000 0.005 0.000 0.823 286 D CB -0.565 40.236 40.800 0.002 0.000 1.126 286 D HN 0.242 nan 8.370 nan 0.000 0.467 287 N N 0.764 119.489 118.700 0.040 0.000 2.492 287 N HA 0.218 4.958 4.740 0.000 0.000 0.289 287 N C -1.752 173.814 175.510 0.095 0.000 1.133 287 N CA -1.274 51.807 53.050 0.051 0.000 0.961 287 N CB 2.124 40.634 38.487 0.038 0.000 1.186 287 N HN -0.192 nan 8.380 nan 0.000 0.493 288 P HA -0.106 nan 4.420 nan 0.000 0.220 288 P C 0.484 177.840 177.300 0.093 0.000 1.148 288 P CA 1.262 64.409 63.100 0.078 0.000 0.803 288 P CB 0.378 32.108 31.700 0.050 0.000 0.782 289 E N -1.137 119.118 120.200 0.092 0.000 2.265 289 E HA -0.182 4.168 4.350 0.000 0.000 0.196 289 E C 1.947 178.633 176.600 0.144 0.000 0.996 289 E CA 0.820 57.276 56.400 0.093 0.000 0.832 289 E CB -0.968 28.770 29.700 0.063 0.000 0.756 289 E HN 0.335 nan 8.360 nan 0.000 0.491 290 Y N 0.626 120.951 120.300 0.042 0.000 2.220 290 Y HA -0.081 4.469 4.550 0.000 0.000 0.291 290 Y C 1.665 177.643 175.900 0.131 0.000 1.129 290 Y CA 1.216 59.362 58.100 0.076 0.000 1.161 290 Y CB -0.075 38.412 38.460 0.045 0.000 0.997 290 Y HN -0.019 nan 8.280 nan 0.000 0.522 291 L N -0.216 121.068 121.223 0.102 0.000 2.083 291 L HA -0.188 4.152 4.340 0.000 0.000 0.209 291 L C 2.358 179.207 176.870 -0.034 0.000 1.083 291 L CA 1.690 56.535 54.840 0.009 0.000 0.752 291 L CB -0.471 41.625 42.059 0.061 0.000 0.899 291 L HN 0.155 nan 8.230 nan 0.000 0.433 292 E N 0.169 120.375 120.200 0.011 0.000 2.072 292 E HA -0.230 4.120 4.350 0.000 0.000 0.191 292 E C 1.912 178.496 176.600 -0.027 0.000 0.985 292 E CA 1.107 57.507 56.400 -0.001 0.000 0.801 292 E CB -0.259 29.460 29.700 0.031 0.000 0.750 292 E HN 0.354 nan 8.360 nan 0.000 0.452 293 F N 0.626 120.480 119.950 -0.160 0.000 2.095 293 F HA -0.148 4.379 4.527 0.000 0.000 0.298 293 F C 1.771 177.427 175.800 -0.240 0.000 1.104 293 F CA 1.390 59.263 58.000 -0.212 0.000 1.232 293 F CB -0.284 38.546 39.000 -0.284 0.000 0.987 293 F HN 0.022 nan 8.300 nan 0.000 0.475 294 L N 0.229 121.245 121.223 -0.346 0.000 2.042 294 L HA -0.263 4.077 4.340 0.000 0.000 0.210 294 L C 2.489 179.168 176.870 -0.318 0.000 1.076 294 L CA 1.774 56.376 54.840 -0.396 0.000 0.749 294 L CB -0.736 41.140 42.059 -0.305 0.000 0.893 294 L HN 0.134 nan 8.230 nan 0.000 0.432 295 K N -0.327 119.941 120.400 -0.220 0.000 2.026 295 K HA -0.205 4.115 4.320 0.000 0.000 0.208 295 K C 2.156 178.642 176.600 -0.190 0.000 1.048 295 K CA 1.411 57.601 56.287 -0.161 0.000 0.929 295 K CB -0.167 32.274 32.500 -0.098 0.000 0.713 295 K HN 0.378 nan 8.250 nan 0.000 0.439 296 Q N 0.525 120.189 119.800 -0.227 0.000 2.119 296 Q HA -0.151 4.189 4.340 0.000 0.000 0.201 296 Q C 2.183 178.009 176.000 -0.290 0.000 0.972 296 Q CA 0.938 56.614 55.803 -0.212 0.000 0.847 296 Q CB -0.115 28.517 28.738 -0.176 0.000 0.903 296 Q HN 0.176 nan 8.270 nan 0.000 0.433 297 L N 1.321 122.242 121.223 -0.504 0.000 2.017 297 L HA -0.201 4.139 4.340 0.000 0.000 0.208 297 L C 1.886 178.587 176.870 -0.283 0.000 1.073 297 L CA 1.879 56.410 54.840 -0.515 0.000 0.745 297 L CB -0.219 41.365 42.059 -0.792 0.000 0.894 297 L HN -0.014 nan 8.230 nan 0.000 0.432 298 K N -0.931 119.327 120.400 -0.237 0.000 2.026 298 K HA -0.200 4.120 4.320 0.000 0.000 0.208 298 K C 2.070 178.608 176.600 -0.105 0.000 1.048 298 K CA 1.596 57.794 56.287 -0.149 0.000 0.929 298 K CB -0.494 31.925 32.500 -0.135 0.000 0.713 298 K HN 0.191 nan 8.250 nan 0.000 0.439 299 L N 1.046 122.206 121.223 -0.105 0.000 1.970 299 L HA -0.189 4.151 4.340 0.000 0.000 0.212 299 L C 2.220 179.075 176.870 -0.026 0.000 1.071 299 L CA 1.348 56.151 54.840 -0.062 0.000 0.751 299 L CB -0.532 41.490 42.059 -0.061 0.000 0.889 299 L HN 0.120 nan 8.230 nan 0.000 0.432 300 L N -0.713 120.490 121.223 -0.032 0.000 2.046 300 L HA -0.110 4.230 4.340 0.000 0.000 0.208 300 L C 2.476 179.427 176.870 0.136 0.000 1.077 300 L CA 2.006 56.872 54.840 0.043 0.000 0.747 300 L CB -0.998 41.074 42.059 0.021 0.000 0.896 300 L HN 0.273 nan 8.230 nan 0.000 0.432 301 A N -1.060 121.780 122.820 0.034 0.000 1.933 301 A HA -0.276 4.044 4.320 0.000 0.000 0.218 301 A C 2.204 179.895 177.584 0.178 0.000 1.175 301 A CA 1.934 54.025 52.037 0.090 0.000 0.628 301 A CB -0.878 18.127 19.000 0.010 0.000 0.814 301 A HN 0.640 nan 8.150 nan 0.000 0.444 302 D N -0.656 119.788 120.400 0.074 0.000 2.123 302 D HA -0.127 4.513 4.640 0.000 0.000 0.200 302 D C 1.856 178.193 176.300 0.061 0.000 0.976 302 D CA 1.278 55.306 54.000 0.048 0.000 0.831 302 D CB -0.055 40.738 40.800 -0.013 0.000 0.974 302 D HN 0.452 nan 8.370 nan 0.000 0.469 303 K N 0.099 120.533 120.400 0.057 0.000 2.076 303 K HA -0.058 4.262 4.320 0.000 0.000 0.204 303 K C 2.201 178.816 176.600 0.025 0.000 1.051 303 K CA 0.701 57.009 56.287 0.035 0.000 0.949 303 K CB 0.200 32.713 32.500 0.021 0.000 0.726 303 K HN -0.025 nan 8.250 nan 0.000 0.443 304 K N -0.677 119.759 120.400 0.059 0.000 2.367 304 K HA 0.105 4.425 4.320 0.000 0.000 0.195 304 K C 0.410 176.826 176.600 -0.307 0.000 1.060 304 K CA 0.154 56.372 56.287 -0.116 0.000 1.022 304 K CB 0.554 32.964 32.500 -0.149 0.000 0.894 304 K HN -0.055 nan 8.250 nan 0.000 0.540 305 F N 0.512 120.465 119.950 0.004 0.000 2.688 305 F HA 0.244 4.771 4.527 0.000 0.000 0.310 305 F C 0.090 175.935 175.800 0.075 0.000 1.098 305 F CA -0.700 57.312 58.000 0.021 0.000 1.228 305 F CB 0.116 39.095 39.000 -0.035 0.000 1.042 305 F HN -0.034 nan 8.300 nan 0.000 0.557 306 N N 1.418 120.236 118.700 0.197 0.000 2.705 306 N HA -0.302 4.438 4.740 0.000 0.000 0.255 306 N C -1.091 174.568 175.510 0.248 0.000 1.008 306 N CA 0.495 53.640 53.050 0.159 0.000 0.742 306 N CB -1.238 37.317 38.487 0.113 0.000 0.906 306 N HN 0.293 nan 8.380 nan 0.000 0.541 307 F N -0.278 119.703 119.950 0.051 0.000 2.596 307 F HA 0.437 4.964 4.527 -0.000 0.000 0.311 307 F C -0.472 175.319 175.800 -0.016 0.000 1.116 307 F CA -0.587 57.422 58.000 0.016 0.000 0.957 307 F CB 1.431 40.438 39.000 0.013 0.000 1.250 307 F HN -0.045 nan 8.300 nan 0.000 0.444 308 T N 5.530 119.578 114.554 -0.844 0.000 2.727 308 T HA 0.394 4.744 4.350 0.000 0.000 0.298 308 T C -0.528 173.641 174.700 -0.885 0.000 0.942 308 T CA -0.362 61.354 62.100 -0.641 0.000 0.997 308 T CB 0.762 69.372 68.868 -0.430 0.000 0.917 308 T HN 0.354 nan 8.240 nan 0.000 0.487 309 V N 5.555 125.218 119.914 -0.418 0.000 2.372 309 V HA 0.164 4.284 4.120 0.000 0.000 0.261 309 V C 0.649 176.652 176.094 -0.151 0.000 1.055 309 V CA -0.597 61.590 62.300 -0.188 0.000 0.930 309 V CB 0.323 32.124 31.823 -0.037 0.000 1.031 309 V HN 0.748 nan 8.190 nan 0.000 0.479 310 E N 2.838 122.961 120.200 -0.129 0.000 2.349 310 E HA 0.244 4.594 4.350 0.000 0.000 0.262 310 E C -0.276 176.306 176.600 -0.030 0.000 1.088 310 E CA -0.477 55.872 56.400 -0.084 0.000 0.899 310 E CB 0.840 30.494 29.700 -0.076 0.000 1.044 310 E HN 0.551 nan 8.360 nan 0.000 0.420 311 D N -0.021 120.370 120.400 -0.015 0.000 2.357 311 D HA 0.452 5.092 4.640 0.000 0.000 0.242 311 D C 0.405 176.736 176.300 0.052 0.000 1.153 311 D CA 0.600 54.615 54.000 0.025 0.000 0.918 311 D CB 1.153 41.971 40.800 0.030 0.000 1.181 311 D HN 0.535 nan 8.370 nan 0.000 0.435 312 G N -0.327 108.535 108.800 0.104 0.000 2.345 312 G HA2 -0.025 3.935 3.960 0.000 0.000 0.310 312 G HA3 -0.025 3.935 3.960 0.000 0.000 0.310 312 G C 0.363 175.385 174.900 0.202 0.000 1.476 312 G CA -0.847 44.329 45.100 0.127 0.000 0.978 312 G HN 0.392 nan 8.290 nan 0.000 0.656 313 L N 0.011 121.387 121.223 0.256 0.000 2.265 313 L HA -0.028 4.312 4.340 0.000 0.000 0.215 313 L C 2.895 180.034 176.870 0.448 0.000 1.117 313 L CA 1.193 56.256 54.840 0.372 0.000 0.782 313 L CB -0.213 42.108 42.059 0.436 0.000 0.914 313 L HN 0.621 nan 8.230 nan 0.000 0.441 314 K N -0.096 120.451 120.400 0.245 0.000 2.281 314 K HA -0.143 4.177 4.320 0.000 0.000 0.203 314 K C 1.533 178.209 176.600 0.128 0.000 1.046 314 K CA 0.827 57.082 56.287 -0.053 0.000 0.938 314 K CB -0.183 32.126 32.500 -0.319 0.000 0.737 314 K HN 0.347 nan 8.250 nan 0.000 0.458 315 N N 1.583 120.408 118.700 0.208 0.000 2.520 315 N HA -0.116 4.624 4.740 0.000 0.000 0.185 315 N C 1.672 177.401 175.510 0.365 0.000 1.068 315 N CA 0.805 54.011 53.050 0.259 0.000 0.911 315 N CB -0.168 38.461 38.487 0.236 0.000 0.961 315 N HN 0.443 nan 8.380 nan 0.000 0.446 316 I N -2.537 118.247 120.570 0.358 0.000 2.614 316 I HA -0.118 4.052 4.170 0.000 0.000 0.258 316 I C 1.463 177.713 176.117 0.221 0.000 1.189 316 I CA 0.701 62.161 61.300 0.268 0.000 1.462 316 I CB -0.189 37.875 38.000 0.106 0.000 1.092 316 I HN -0.154 nan 8.210 nan 0.000 0.442 317 I N 2.451 123.192 120.570 0.284 0.000 2.133 317 I HA -0.064 4.106 4.170 0.000 0.000 0.238 317 I C 0.180 176.544 176.117 0.411 0.000 1.074 317 I CA 1.375 62.869 61.300 0.324 0.000 1.342 317 I CB -3.012 35.242 38.000 0.424 0.000 1.053 317 I HN 0.219 nan 8.210 nan 0.000 0.404 318 P HA -0.115 nan 4.420 nan 0.000 0.218 318 P C 1.514 179.050 177.300 0.393 0.000 1.149 318 P CA 1.918 65.263 63.100 0.407 0.000 0.817 318 P CB 0.033 31.882 31.700 0.249 0.000 0.785 319 A N 0.127 123.115 122.820 0.280 0.000 1.972 319 A HA -0.105 4.215 4.320 0.000 0.000 0.219 319 A C 2.410 179.978 177.584 -0.027 0.000 1.169 319 A CA 1.859 53.819 52.037 -0.129 0.000 0.635 319 A CB -1.362 17.589 19.000 -0.081 0.000 0.810 319 A HN 0.186 nan 8.150 nan 0.000 0.446 320 S N -1.361 114.386 115.700 0.078 0.000 2.461 320 S HA 0.055 4.525 4.470 0.000 0.000 0.228 320 S C 1.438 176.047 174.600 0.015 0.000 1.005 320 S CA 0.641 58.844 58.200 0.004 0.000 0.942 320 S CB -0.414 62.738 63.200 -0.080 0.000 0.776 320 S HN 0.572 nan 8.310 nan 0.000 0.514 321 F N 1.233 121.241 119.950 0.097 0.000 2.206 321 F HA -0.055 4.472 4.527 0.000 0.000 0.298 321 F C 2.592 178.465 175.800 0.121 0.000 1.090 321 F CA 1.318 59.381 58.000 0.105 0.000 1.323 321 F CB -0.300 38.782 39.000 0.137 0.000 1.028 321 F HN 0.311 nan 8.300 nan 0.000 0.492 322 H N 0.596 119.801 119.070 0.224 0.000 2.290 322 H HA -0.170 4.386 4.556 -0.000 0.000 0.298 322 H C 1.498 176.881 175.328 0.091 0.000 1.087 322 H CA 2.245 58.374 56.048 0.135 0.000 1.291 322 H CB -0.425 29.366 29.762 0.048 0.000 1.369 322 H HN 0.126 nan 8.280 nan 0.000 0.492 323 D N -0.222 120.367 120.400 0.316 0.000 2.144 323 D HA -0.076 4.564 4.640 0.000 0.000 0.199 323 D C 2.335 178.699 176.300 0.107 0.000 0.984 323 D CA 1.207 55.369 54.000 0.269 0.000 0.834 323 D CB -0.803 40.118 40.800 0.201 0.000 0.955 323 D HN 0.592 nan 8.370 nan 0.000 0.465 324 G N 0.683 109.505 108.800 0.038 0.000 2.408 324 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 324 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 324 G C 1.561 176.458 174.900 -0.004 0.000 1.150 324 G CA 0.395 45.473 45.100 -0.037 0.000 0.776 324 G HN 0.243 nan 8.290 nan 0.000 0.542 325 L N 0.451 121.706 121.223 0.053 0.000 2.093 325 L HA 0.172 4.512 4.340 0.000 0.000 0.208 325 L C 2.592 179.505 176.870 0.071 0.000 1.085 325 L CA 1.245 56.136 54.840 0.085 0.000 0.755 325 L CB -0.391 41.721 42.059 0.089 0.000 0.904 325 L HN 0.190 nan 8.230 nan 0.000 0.435 326 L N -1.313 119.915 121.223 0.008 0.000 2.093 326 L HA -0.171 4.169 4.340 0.000 0.000 0.208 326 L C 2.437 179.222 176.870 -0.142 0.000 1.085 326 L CA 0.848 55.709 54.840 0.037 0.000 0.755 326 L CB -0.627 41.550 42.059 0.196 0.000 0.904 326 L HN 0.362 nan 8.230 nan 0.000 0.435 327 L N -0.770 120.170 121.223 -0.472 0.000 2.046 327 L HA -0.262 4.078 4.340 0.000 0.000 0.208 327 L C 2.498 179.160 176.870 -0.347 0.000 1.077 327 L CA 1.784 56.088 54.840 -0.893 0.000 0.747 327 L CB -0.793 40.772 42.059 -0.823 0.000 0.896 327 L HN 0.198 nan 8.230 nan 0.000 0.432 328 Y N -0.604 119.547 120.300 -0.248 0.000 2.145 328 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 328 Y C 2.289 178.114 175.900 -0.127 0.000 1.145 328 Y CA 2.130 60.143 58.100 -0.146 0.000 1.148 328 Y CB -0.667 37.743 38.460 -0.084 0.000 0.981 328 Y HN 0.009 nan 8.280 nan 0.000 0.507 329 V N 0.584 120.401 119.914 -0.162 0.000 2.332 329 V HA -0.337 3.783 4.120 0.000 0.000 0.248 329 V C 2.396 178.363 176.094 -0.211 0.000 1.055 329 V CA 2.300 64.478 62.300 -0.205 0.000 1.038 329 V CB -0.795 31.013 31.823 -0.025 0.000 0.651 329 V HN 0.393 nan 8.190 nan 0.000 0.450 330 Q N 0.137 119.848 119.800 -0.149 0.000 2.084 330 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 330 Q C 2.167 178.076 176.000 -0.150 0.000 0.978 330 Q CA 2.109 57.858 55.803 -0.091 0.000 0.844 330 Q CB -0.608 28.121 28.738 -0.016 0.000 0.898 330 Q HN 0.617 nan 8.270 nan 0.000 0.426 331 A N -0.797 121.890 122.820 -0.223 0.000 1.902 331 A HA -0.131 4.189 4.320 0.000 0.000 0.217 331 A C 2.241 179.663 177.584 -0.270 0.000 1.181 331 A CA 1.689 53.594 52.037 -0.219 0.000 0.623 331 A CB -0.771 18.100 19.000 -0.214 0.000 0.818 331 A HN 0.268 nan 8.150 nan 0.000 0.443 332 V N -0.444 119.218 119.914 -0.419 0.000 2.358 332 V HA -0.190 3.930 4.120 0.000 0.000 0.246 332 V C 2.704 178.626 176.094 -0.287 0.000 1.047 332 V CA 2.343 64.384 62.300 -0.431 0.000 1.035 332 V CB -1.235 30.205 31.823 -0.637 0.000 0.658 332 V HN 0.588 nan 8.190 nan 0.000 0.452 333 T N -0.008 114.411 114.554 -0.224 0.000 2.720 333 T HA -0.225 4.125 4.350 0.000 0.000 0.268 333 T C 1.776 176.418 174.700 -0.096 0.000 1.037 333 T CA 1.836 63.860 62.100 -0.128 0.000 1.144 333 T CB -0.249 68.576 68.868 -0.072 0.000 0.864 333 T HN 0.619 nan 8.240 nan 0.000 0.444 334 E N 0.357 120.497 120.200 -0.099 0.000 2.150 334 E HA -0.066 4.284 4.350 0.000 0.000 0.193 334 E C 2.378 178.931 176.600 -0.079 0.000 0.985 334 E CA 1.131 57.489 56.400 -0.071 0.000 0.814 334 E CB -0.158 29.505 29.700 -0.062 0.000 0.752 334 E HN 0.373 nan 8.360 nan 0.000 0.466 335 T N 1.424 115.908 114.554 -0.116 0.000 2.777 335 T HA -0.084 4.266 4.350 0.000 0.000 0.266 335 T C 1.940 176.585 174.700 -0.091 0.000 1.040 335 T CA 0.729 62.762 62.100 -0.112 0.000 1.141 335 T CB -0.150 68.626 68.868 -0.153 0.000 0.868 335 T HN 0.069 nan 8.240 nan 0.000 0.444 336 L N 0.962 122.122 121.223 -0.105 0.000 2.012 336 L HA -0.116 4.224 4.340 0.000 0.000 0.210 336 L C 3.088 179.949 176.870 -0.016 0.000 1.073 336 L CA 1.345 56.151 54.840 -0.055 0.000 0.748 336 L CB -0.774 41.257 42.059 -0.047 0.000 0.891 336 L HN 0.231 nan 8.230 nan 0.000 0.431 337 A N -0.656 122.151 122.820 -0.021 0.000 1.948 337 A HA -0.248 4.072 4.320 0.000 0.000 0.220 337 A C 2.074 179.653 177.584 -0.009 0.000 1.177 337 A CA 1.624 53.657 52.037 -0.007 0.000 0.636 337 A CB -0.439 18.554 19.000 -0.011 0.000 0.815 337 A HN 0.552 nan 8.150 nan 0.000 0.449 338 Q N -1.728 118.059 119.800 -0.021 0.000 2.322 338 Q HA 0.256 4.596 4.340 0.000 0.000 0.203 338 Q C 1.006 176.997 176.000 -0.015 0.000 0.923 338 Q CA 0.435 56.227 55.803 -0.019 0.000 0.949 338 Q CB 0.221 28.942 28.738 -0.028 0.000 1.039 338 Q HN 0.939 nan 8.270 nan 0.000 0.496 339 G N 0.304 109.099 108.800 -0.009 0.000 2.157 339 G HA2 -0.226 3.734 3.960 0.000 0.000 0.239 339 G HA3 -0.226 3.734 3.960 0.000 0.000 0.239 339 G C 0.389 175.285 174.900 -0.007 0.000 0.982 339 G CA -0.187 44.913 45.100 -0.001 0.000 0.650 339 G HN 0.542 nan 8.290 nan 0.000 0.527 340 G N -1.498 107.287 108.800 -0.025 0.000 2.532 340 G HA2 0.730 4.690 3.960 0.000 0.000 0.291 340 G HA3 0.730 4.690 3.960 0.000 0.000 0.291 340 G C -0.095 174.779 174.900 -0.043 0.000 1.349 340 G CA 0.648 45.726 45.100 -0.037 0.000 1.038 340 G HN 0.869 nan 8.290 nan 0.000 0.518 341 T N -2.580 111.935 114.554 -0.066 0.000 2.864 341 T HA 0.326 4.676 4.350 0.000 0.000 0.289 341 T C 1.488 176.067 174.700 -0.202 0.000 1.082 341 T CA 0.249 62.290 62.100 -0.099 0.000 1.009 341 T CB 1.342 70.202 68.868 -0.013 0.000 1.234 341 T HN 1.019 nan 8.240 nan 0.000 0.526 342 V N 0.704 120.398 119.914 -0.367 0.000 3.186 342 V HA 0.069 4.189 4.120 0.000 0.000 0.270 342 V C 1.599 177.580 176.094 -0.187 0.000 1.149 342 V CA 2.186 64.242 62.300 -0.406 0.000 1.160 342 V CB -1.702 29.688 31.823 -0.722 0.000 0.758 342 V HN 0.978 nan 8.190 nan 0.000 0.516 343 T N -3.803 110.682 114.554 -0.114 0.000 3.105 343 T HA 0.220 4.570 4.350 0.000 0.000 0.253 343 T C 0.205 174.887 174.700 -0.030 0.000 1.047 343 T CA -0.078 61.998 62.100 -0.040 0.000 0.944 343 T CB -0.318 68.542 68.868 -0.013 0.000 1.016 343 T HN 0.433 nan 8.240 nan 0.000 0.544 344 D N 2.398 122.763 120.400 -0.058 0.000 2.551 344 D HA 0.301 4.941 4.640 0.000 0.000 0.223 344 D C 1.613 177.881 176.300 -0.053 0.000 1.144 344 D CA -0.075 53.893 54.000 -0.054 0.000 1.025 344 D CB 0.488 41.247 40.800 -0.068 0.000 1.085 344 D HN 0.420 nan 8.370 nan 0.000 0.506 345 G N 1.748 110.532 108.800 -0.025 0.000 2.476 345 G HA2 -0.335 3.625 3.960 0.000 0.000 0.218 345 G HA3 -0.335 3.625 3.960 0.000 0.000 0.218 345 G C 1.453 176.309 174.900 -0.074 0.000 1.164 345 G CA 0.684 45.774 45.100 -0.016 0.000 0.768 345 G HN 0.291 nan 8.290 nan 0.000 0.560 346 E N 0.777 120.922 120.200 -0.092 0.000 2.051 346 E HA -0.061 4.289 4.350 0.000 0.000 0.192 346 E C 2.536 179.035 176.600 -0.168 0.000 0.991 346 E CA 0.858 57.170 56.400 -0.148 0.000 0.799 346 E CB -0.265 29.366 29.700 -0.115 0.000 0.748 346 E HN 0.321 nan 8.360 nan 0.000 0.449 347 N N 0.277 118.904 118.700 -0.122 0.000 2.120 347 N HA -0.121 4.619 4.740 0.000 0.000 0.188 347 N C 1.914 177.342 175.510 -0.138 0.000 1.024 347 N CA 1.061 54.040 53.050 -0.119 0.000 0.852 347 N CB -0.136 38.295 38.487 -0.093 0.000 1.003 347 N HN 0.190 nan 8.380 nan 0.000 0.424 348 I N 0.783 121.273 120.570 -0.133 0.000 2.226 348 I HA -0.215 3.955 4.170 0.000 0.000 0.245 348 I C 2.087 178.116 176.117 -0.147 0.000 1.100 348 I CA 1.034 62.250 61.300 -0.139 0.000 1.374 348 I CB -0.467 37.466 38.000 -0.111 0.000 1.057 348 I HN 0.073 nan 8.210 nan 0.000 0.413 349 T N -0.319 114.117 114.554 -0.197 0.000 2.821 349 T HA -0.253 4.097 4.350 0.000 0.000 0.267 349 T C 1.858 176.245 174.700 -0.522 0.000 1.046 349 T CA 1.275 63.158 62.100 -0.361 0.000 1.139 349 T CB -0.232 68.338 68.868 -0.497 0.000 0.871 349 T HN 0.367 nan 8.240 nan 0.000 0.454 350 Q N 0.596 120.153 119.800 -0.405 0.000 2.170 350 Q HA -0.050 4.290 4.340 0.000 0.000 0.203 350 Q C 2.159 178.076 176.000 -0.139 0.000 0.976 350 Q CA 1.163 56.791 55.803 -0.293 0.000 0.858 350 Q CB 0.028 28.648 28.738 -0.197 0.000 0.907 350 Q HN 0.403 nan 8.270 nan 0.000 0.433 351 R N -0.900 119.525 120.500 -0.124 0.000 2.307 351 R HA 0.065 4.405 4.340 0.000 0.000 0.199 351 R C 1.697 177.975 176.300 -0.036 0.000 1.000 351 R CA 0.553 56.611 56.100 -0.070 0.000 1.023 351 R CB 0.190 30.436 30.300 -0.089 0.000 0.908 351 R HN 0.384 nan 8.270 nan 0.000 0.473 352 M N -1.241 118.353 119.600 -0.010 0.000 2.615 352 M HA 0.073 4.553 4.480 0.000 0.000 0.262 352 M C -0.162 176.287 176.300 0.248 0.000 1.198 352 M CA 0.379 55.727 55.300 0.080 0.000 1.165 352 M CB 0.228 32.901 32.600 0.123 0.000 1.310 352 M HN -0.021 nan 8.290 nan 0.000 0.494 353 W N 2.016 123.287 121.300 -0.048 0.000 2.184 353 W HA 0.172 4.832 4.660 -0.000 0.000 0.338 353 W C 0.978 177.479 176.519 -0.031 0.000 1.257 353 W CA -0.807 56.515 57.345 -0.038 0.000 1.243 353 W CB -0.515 28.929 29.460 -0.026 0.000 1.122 353 W HN 0.332 nan 8.180 nan 0.000 0.585 354 N N 1.202 120.003 118.700 0.168 0.000 2.714 354 N HA -0.284 4.456 4.740 0.000 0.000 0.252 354 N C -0.578 174.975 175.510 0.070 0.000 1.014 354 N CA 1.171 54.276 53.050 0.092 0.000 0.735 354 N CB -0.593 37.957 38.487 0.105 0.000 0.924 354 N HN 0.588 nan 8.380 nan 0.000 0.540 355 R N -0.346 120.183 120.500 0.049 0.000 2.698 355 R HA 0.600 4.940 4.340 0.000 0.000 0.275 355 R C -0.818 175.477 176.300 -0.009 0.000 1.001 355 R CA -0.209 55.910 56.100 0.032 0.000 0.896 355 R CB 1.080 31.402 30.300 0.037 0.000 1.218 355 R HN 0.253 nan 8.270 nan 0.000 0.462 356 S N 2.335 118.028 115.700 -0.011 0.000 2.654 356 S HA 0.729 5.199 4.470 0.000 0.000 0.283 356 S C -0.694 173.920 174.600 0.022 0.000 1.180 356 S CA -0.580 57.549 58.200 -0.119 0.000 1.021 356 S CB 1.383 64.513 63.200 -0.117 0.000 1.018 356 S HN 0.465 nan 8.310 nan 0.000 0.532 357 F N 0.140 119.921 119.950 -0.281 0.000 2.693 357 F HA 0.555 5.082 4.527 -0.000 0.000 0.309 357 F C -1.498 174.201 175.800 -0.169 0.000 1.129 357 F CA -0.599 57.304 58.000 -0.162 0.000 0.948 357 F CB 1.996 40.925 39.000 -0.120 0.000 1.315 357 F HN 0.629 nan 8.300 nan 0.000 0.447 358 Q N 2.105 121.484 119.800 -0.701 0.000 2.333 358 Q HA 0.708 5.048 4.340 0.000 0.000 0.265 358 Q C -0.591 175.063 176.000 -0.578 0.000 0.989 358 Q CA -0.277 55.254 55.803 -0.453 0.000 0.842 358 Q CB 1.754 30.302 28.738 -0.317 0.000 1.262 358 Q HN 0.960 nan 8.270 nan 0.000 0.451 359 G N 0.317 108.993 108.800 -0.207 0.000 3.105 359 G HA2 0.413 4.373 3.960 0.000 0.000 0.277 359 G HA3 0.413 4.373 3.960 0.000 0.000 0.277 359 G C 0.328 175.207 174.900 -0.036 0.000 1.375 359 G CA -0.254 44.814 45.100 -0.055 0.000 0.962 359 G HN 0.656 nan 8.290 nan 0.000 0.541 360 V N -1.726 118.155 119.914 -0.055 0.000 2.720 360 V HA -0.038 4.082 4.120 0.000 0.000 0.256 360 V C 2.226 178.332 176.094 0.020 0.000 1.082 360 V CA 2.451 64.691 62.300 -0.099 0.000 1.101 360 V CB -1.245 30.312 31.823 -0.443 0.000 0.693 360 V HN 0.847 nan 8.190 nan 0.000 0.479 361 T N -2.513 112.023 114.554 -0.031 0.000 3.219 361 T HA 0.518 4.868 4.350 0.000 0.000 0.249 361 T C 1.169 175.824 174.700 -0.075 0.000 1.099 361 T CA 0.710 62.762 62.100 -0.079 0.000 0.988 361 T CB -0.490 68.309 68.868 -0.115 0.000 0.999 361 T HN 1.664 nan 8.240 nan 0.000 0.550 362 G N 1.405 110.191 108.800 -0.024 0.000 2.488 362 G HA2 -0.248 3.712 3.960 0.000 0.000 0.237 362 G HA3 -0.248 3.712 3.960 0.000 0.000 0.237 362 G C -0.442 174.476 174.900 0.029 0.000 1.209 362 G CA -0.337 44.766 45.100 0.004 0.000 0.929 362 G HN 0.733 nan 8.290 nan 0.000 0.578 363 Y N 1.422 121.686 120.300 -0.061 0.000 2.511 363 Y HA 0.505 5.055 4.550 0.000 0.000 0.332 363 Y C 0.393 176.273 175.900 -0.032 0.000 1.177 363 Y CA 0.412 58.485 58.100 -0.045 0.000 1.422 363 Y CB 0.547 38.979 38.460 -0.047 0.000 1.271 363 Y HN 1.173 nan 8.280 nan 0.000 0.550 364 L N 4.771 125.662 121.223 -0.553 0.000 2.464 364 L HA 0.652 4.992 4.340 0.000 0.000 0.266 364 L C -1.832 174.709 176.870 -0.549 0.000 0.965 364 L CA -1.200 53.423 54.840 -0.363 0.000 0.833 364 L CB 2.052 44.042 42.059 -0.114 0.000 1.296 364 L HN 0.531 nan 8.230 nan 0.000 0.405 365 K N 4.140 124.333 120.400 -0.345 0.000 2.376 365 K HA 0.701 5.021 4.320 0.000 0.000 0.257 365 K C -1.379 175.156 176.600 -0.108 0.000 0.939 365 K CA -0.513 55.644 56.287 -0.216 0.000 0.809 365 K CB 1.275 33.756 32.500 -0.032 0.000 1.121 365 K HN 0.711 nan 8.250 nan 0.000 0.425 366 I N 4.876 125.391 120.570 -0.091 0.000 2.315 366 I HA 0.133 4.303 4.170 0.000 0.000 0.291 366 I C 0.309 176.374 176.117 -0.088 0.000 1.006 366 I CA -0.610 60.629 61.300 -0.102 0.000 1.265 366 I CB 0.691 38.649 38.000 -0.070 0.000 1.387 366 I HN 0.858 nan 8.210 nan 0.000 0.475 367 D N 6.616 126.939 120.400 -0.129 0.000 2.346 367 D HA 0.060 4.700 4.640 0.000 0.000 0.249 367 D C 0.925 177.154 176.300 -0.118 0.000 1.308 367 D CA -0.219 53.721 54.000 -0.100 0.000 0.987 367 D CB 0.648 41.389 40.800 -0.098 0.000 1.114 367 D HN 0.378 nan 8.370 nan 0.000 0.529 368 R N -1.207 119.257 120.500 -0.060 0.000 2.237 368 R HA -0.081 4.259 4.340 0.000 0.000 0.219 368 R C 0.943 177.197 176.300 -0.077 0.000 1.080 368 R CA 0.894 56.996 56.100 0.005 0.000 0.995 368 R CB -0.449 29.872 30.300 0.035 0.000 0.875 368 R HN 0.465 nan 8.270 nan 0.000 0.462 369 N N -0.335 118.197 118.700 -0.281 0.000 2.270 369 N HA 0.022 4.762 4.740 0.000 0.000 0.198 369 N C 0.401 175.205 175.510 -1.175 0.000 1.117 369 N CA 0.661 53.423 53.050 -0.480 0.000 0.845 369 N CB 0.778 39.098 38.487 -0.279 0.000 0.980 369 N HN 0.252 nan 8.380 nan 0.000 0.486 370 G N -0.055 107.860 108.800 -1.475 0.000 2.136 370 G HA2 -0.205 3.755 3.960 0.000 0.000 0.242 370 G HA3 -0.205 3.755 3.960 0.000 0.000 0.242 370 G C -0.947 173.449 174.900 -0.839 0.000 0.989 370 G CA 0.145 44.011 45.100 -2.057 0.000 0.682 370 G HN 0.420 nan 8.290 nan 0.000 0.522 371 D N -0.384 119.696 120.400 -0.533 0.000 2.362 371 D HA 0.407 5.047 4.640 0.000 0.000 0.247 371 D C 0.439 176.603 176.300 -0.227 0.000 1.050 371 D CA -0.686 53.120 54.000 -0.323 0.000 0.839 371 D CB 1.395 42.038 40.800 -0.262 0.000 1.283 371 D HN 0.330 nan 8.370 nan 0.000 0.477 372 R N 1.560 121.945 120.500 -0.191 0.000 2.489 372 R HA 0.024 4.364 4.340 0.000 0.000 0.287 372 R C -0.577 175.662 176.300 -0.103 0.000 1.053 372 R CA -0.289 55.724 56.100 -0.145 0.000 1.036 372 R CB 0.406 30.613 30.300 -0.155 0.000 0.966 372 R HN 0.265 nan 8.270 nan 0.000 0.432 373 D N 2.740 123.104 120.400 -0.060 0.000 2.425 373 D HA 0.056 4.696 4.640 0.000 0.000 0.247 373 D C -0.529 175.756 176.300 -0.024 0.000 1.147 373 D CA 0.694 54.691 54.000 -0.005 0.000 0.879 373 D CB 1.303 42.121 40.800 0.031 0.000 1.179 373 D HN 0.431 nan 8.370 nan 0.000 0.456 374 T N 2.550 117.117 114.554 0.021 0.000 2.797 374 T HA 0.280 4.630 4.350 0.000 0.000 0.279 374 T C -0.309 174.358 174.700 -0.054 0.000 0.991 374 T CA -0.876 61.168 62.100 -0.094 0.000 0.979 374 T CB 1.249 70.031 68.868 -0.143 0.000 0.943 374 T HN 0.104 nan 8.240 nan 0.000 0.444 375 D N 1.661 121.942 120.400 -0.198 0.000 2.225 375 D HA 0.593 5.233 4.640 0.000 0.000 0.249 375 D C -0.521 175.602 176.300 -0.294 0.000 1.052 375 D CA -0.115 53.828 54.000 -0.094 0.000 0.909 375 D CB 0.815 41.559 40.800 -0.093 0.000 1.186 375 D HN 0.299 nan 8.370 nan 0.000 0.431 376 F N -0.290 119.673 119.950 0.022 0.000 2.611 376 F HA 0.497 5.024 4.527 -0.000 0.000 0.324 376 F C 0.351 176.033 175.800 -0.196 0.000 1.061 376 F CA -0.725 57.151 58.000 -0.207 0.000 0.954 376 F CB 1.826 40.329 39.000 -0.828 0.000 1.301 376 F HN 0.006 nan 8.300 nan 0.000 0.482 377 S N 1.536 117.266 115.700 0.050 0.000 2.526 377 S HA 0.667 5.137 4.470 0.000 0.000 0.293 377 S C -1.717 172.989 174.600 0.177 0.000 1.092 377 S CA -0.516 57.719 58.200 0.057 0.000 0.980 377 S CB 1.938 65.142 63.200 0.006 0.000 1.048 377 S HN 0.482 nan 8.310 nan 0.000 0.483 378 L N 3.153 124.502 121.223 0.211 0.000 2.298 378 L HA 0.670 5.010 4.340 0.000 0.000 0.284 378 L C -1.880 175.161 176.870 0.286 0.000 1.013 378 L CA -0.244 54.838 54.840 0.402 0.000 0.824 378 L CB 0.357 42.710 42.059 0.490 0.000 1.221 378 L HN 0.678 nan 8.230 nan 0.000 0.418 379 W N 4.297 125.764 121.300 0.278 0.000 2.390 379 W HA 0.546 5.206 4.660 0.000 0.000 0.312 379 W C 0.039 176.751 176.519 0.321 0.000 1.123 379 W CA -0.178 57.340 57.345 0.289 0.000 1.202 379 W CB 1.018 30.695 29.460 0.362 0.000 1.251 379 W HN 0.459 nan 8.180 nan 0.000 0.511 380 D N 1.883 122.448 120.400 0.274 0.000 2.523 380 D HA 0.372 5.012 4.640 0.000 0.000 0.236 380 D C -0.948 174.962 176.300 -0.650 0.000 1.094 380 D CA -0.951 52.994 54.000 -0.093 0.000 0.942 380 D CB 2.109 42.849 40.800 -0.099 0.000 1.447 380 D HN 0.378 nan 8.370 nan 0.000 0.479 381 M N 1.534 120.568 119.600 -0.944 0.000 2.235 381 M HA 0.198 4.678 4.480 0.000 0.000 0.351 381 M C -0.637 175.276 176.300 -0.644 0.000 1.178 381 M CA -0.380 54.297 55.300 -1.039 0.000 1.143 381 M CB 0.940 33.034 32.600 -0.845 0.000 1.530 381 M HN 0.169 nan 8.290 nan 0.000 0.461 382 D N 6.035 126.167 120.400 -0.446 0.000 2.313 382 D HA 0.278 4.918 4.640 0.000 0.000 0.239 382 D C -2.081 174.001 176.300 -0.364 0.000 1.142 382 D CA -2.150 51.655 54.000 -0.325 0.000 0.847 382 D CB 1.452 42.156 40.800 -0.159 0.000 1.082 382 D HN 0.333 nan 8.370 nan 0.000 0.480 383 P HA -0.182 nan 4.420 nan 0.000 0.216 383 P C 0.826 178.022 177.300 -0.174 0.000 1.154 383 P CA 1.422 64.275 63.100 -0.411 0.000 0.865 383 P CB 0.299 31.861 31.700 -0.231 0.000 0.789 384 E N -1.065 119.075 120.200 -0.101 0.000 2.047 384 E HA -0.133 4.217 4.350 0.000 0.000 0.191 384 E C 1.859 178.449 176.600 -0.016 0.000 0.987 384 E CA 1.977 58.354 56.400 -0.038 0.000 0.799 384 E CB -0.795 28.898 29.700 -0.011 0.000 0.752 384 E HN 0.409 nan 8.360 nan 0.000 0.449 385 T N -3.663 110.889 114.554 -0.004 0.000 3.015 385 T HA 0.312 4.662 4.350 0.000 0.000 0.250 385 T C 1.623 176.404 174.700 0.135 0.000 1.057 385 T CA 0.523 62.661 62.100 0.062 0.000 1.066 385 T CB 0.816 69.730 68.868 0.076 0.000 0.959 385 T HN 0.325 nan 8.240 nan 0.000 0.488 386 G N 1.617 110.462 108.800 0.075 0.000 2.179 386 G HA2 -0.071 3.889 3.960 0.000 0.000 0.260 386 G HA3 -0.071 3.889 3.960 0.000 0.000 0.260 386 G C 0.353 175.551 174.900 0.498 0.000 0.977 386 G CA 0.020 45.240 45.100 0.202 0.000 0.641 386 G HN 1.205 nan 8.290 nan 0.000 0.533 387 A N -0.328 122.670 122.820 0.296 0.000 2.386 387 A HA 0.704 5.024 4.320 0.000 0.000 0.248 387 A C -0.181 177.554 177.584 0.253 0.000 1.082 387 A CA 0.026 52.242 52.037 0.299 0.000 0.789 387 A CB 0.340 19.441 19.000 0.167 0.000 1.025 387 A HN 0.613 nan 8.150 nan 0.000 0.490 388 F N 1.660 121.722 119.950 0.186 0.000 2.422 388 F HA 0.647 5.174 4.527 0.000 0.000 0.333 388 F C 1.036 177.055 175.800 0.365 0.000 1.095 388 F CA -0.050 58.110 58.000 0.266 0.000 1.038 388 F CB 1.571 40.754 39.000 0.305 0.000 1.156 388 F HN 0.725 nan 8.300 nan 0.000 0.483 389 R N 1.328 122.057 120.500 0.382 0.000 2.734 389 R HA 0.603 4.943 4.340 0.000 0.000 0.271 389 R C -2.141 174.102 176.300 -0.096 0.000 1.021 389 R CA -0.823 55.402 56.100 0.210 0.000 0.893 389 R CB 0.662 30.965 30.300 0.005 0.000 1.244 389 R HN 0.332 nan 8.270 nan 0.000 0.464 390 V N 2.270 121.840 119.914 -0.574 0.000 2.521 390 V HA 0.055 4.175 4.120 0.000 0.000 0.286 390 V C 1.454 177.422 176.094 -0.210 0.000 1.034 390 V CA 0.180 62.108 62.300 -0.621 0.000 1.045 390 V CB 1.114 32.474 31.823 -0.772 0.000 0.974 390 V HN 0.681 nan 8.190 nan 0.000 0.480 391 V N 2.765 122.620 119.914 -0.099 0.000 3.612 391 V HA 0.484 4.604 4.120 0.000 0.000 0.268 391 V C 0.286 176.419 176.094 0.065 0.000 1.365 391 V CA 0.284 62.593 62.300 0.014 0.000 1.044 391 V CB 0.131 31.946 31.823 -0.013 0.000 0.820 391 V HN 0.523 nan 8.190 nan 0.000 0.444 392 L N 1.613 122.878 121.223 0.070 0.000 2.455 392 L HA 0.642 4.982 4.340 0.000 0.000 0.264 392 L C -1.395 175.560 176.870 0.141 0.000 0.968 392 L CA -0.297 54.623 54.840 0.133 0.000 0.827 392 L CB 2.498 44.684 42.059 0.212 0.000 1.317 392 L HN 0.187 nan 8.230 nan 0.000 0.407 393 N N 1.599 120.385 118.700 0.144 0.000 2.269 393 N HA 0.387 5.127 4.740 0.000 0.000 0.304 393 N C -1.693 173.968 175.510 0.251 0.000 1.072 393 N CA -0.390 52.743 53.050 0.139 0.000 0.802 393 N CB 2.729 41.244 38.487 0.047 0.000 1.348 393 N HN 0.384 nan 8.380 nan 0.000 0.484 394 Y N 1.558 121.937 120.300 0.132 0.000 2.341 394 Y HA 0.334 4.884 4.550 -0.000 0.000 0.338 394 Y C -0.542 175.438 175.900 0.134 0.000 0.965 394 Y CA -0.892 57.332 58.100 0.207 0.000 1.108 394 Y CB 0.864 39.559 38.460 0.392 0.000 1.180 394 Y HN 0.398 nan 8.280 nan 0.000 0.458 395 N N 3.689 122.117 118.700 -0.452 0.000 2.426 395 N HA 0.185 4.925 4.740 0.000 0.000 0.257 395 N C 0.732 175.782 175.510 -0.766 0.000 1.002 395 N CA 0.470 53.269 53.050 -0.418 0.000 0.942 395 N CB 1.747 40.077 38.487 -0.263 0.000 1.112 395 N HN 1.081 nan 8.380 nan 0.000 0.499 396 G N 2.211 110.731 108.800 -0.467 0.000 2.598 396 G HA2 -0.137 3.823 3.960 0.000 0.000 0.215 396 G HA3 -0.137 3.823 3.960 0.000 0.000 0.215 396 G C 0.994 175.832 174.900 -0.103 0.000 1.131 396 G CA 0.734 45.681 45.100 -0.256 0.000 0.785 396 G HN 0.593 nan 8.290 nan 0.000 0.539 397 T N 0.757 115.253 114.554 -0.097 0.000 2.866 397 T HA -0.058 4.292 4.350 0.000 0.000 0.250 397 T C 2.865 177.535 174.700 -0.049 0.000 1.033 397 T CA 1.422 63.514 62.100 -0.013 0.000 1.145 397 T CB -0.199 68.713 68.868 0.074 0.000 0.866 397 T HN 0.452 nan 8.240 nan 0.000 0.434 398 S N 1.108 116.741 115.700 -0.111 0.000 2.461 398 S HA -0.043 4.427 4.470 0.000 0.000 0.228 398 S C 0.960 175.516 174.600 -0.074 0.000 1.005 398 S CA 0.366 58.513 58.200 -0.088 0.000 0.942 398 S CB -0.431 62.704 63.200 -0.109 0.000 0.776 398 S HN 0.551 nan 8.310 nan 0.000 0.514 399 Q N 0.272 119.975 119.800 -0.163 0.000 2.494 399 Q HA -0.167 4.173 4.340 0.000 0.000 0.266 399 Q C -1.037 175.013 176.000 0.082 0.000 1.053 399 Q CA 1.040 56.814 55.803 -0.049 0.000 1.029 399 Q CB -1.939 26.884 28.738 0.142 0.000 1.423 399 Q HN 0.785 nan 8.270 nan 0.000 0.516 400 E N 0.548 120.721 120.200 -0.044 0.000 2.204 400 E HA 0.539 4.889 4.350 0.000 0.000 0.276 400 E C -0.253 176.433 176.600 0.144 0.000 0.974 400 E CA -0.664 55.773 56.400 0.061 0.000 0.815 400 E CB 1.338 31.041 29.700 0.004 0.000 1.119 400 E HN 0.136 nan 8.360 nan 0.000 0.393 401 L N 3.279 124.628 121.223 0.211 0.000 2.264 401 L HA 0.415 4.755 4.340 0.000 0.000 0.289 401 L C -0.413 176.543 176.870 0.142 0.000 1.044 401 L CA -0.284 54.708 54.840 0.253 0.000 0.807 401 L CB 0.585 42.785 42.059 0.234 0.000 1.192 401 L HN 0.439 nan 8.230 nan 0.000 0.425 402 M N 3.162 122.836 119.600 0.124 0.000 2.259 402 M HA 0.506 4.986 4.480 0.000 0.000 0.304 402 M C -0.006 176.338 176.300 0.074 0.000 1.019 402 M CA -0.241 55.103 55.300 0.073 0.000 0.922 402 M CB 2.165 34.786 32.600 0.035 0.000 1.600 402 M HN 0.611 nan 8.290 nan 0.000 0.433 403 A N 2.706 125.564 122.820 0.063 0.000 2.466 403 A HA 0.546 4.866 4.320 0.000 0.000 0.238 403 A C -0.344 177.265 177.584 0.041 0.000 1.074 403 A CA -0.354 51.721 52.037 0.064 0.000 0.774 403 A CB 0.254 19.290 19.000 0.059 0.000 1.015 403 A HN 0.651 nan 8.150 nan 0.000 0.498 404 V N 1.631 121.577 119.914 0.053 0.000 2.448 404 V HA 0.423 4.543 4.120 0.000 0.000 0.295 404 V C 0.571 176.654 176.094 -0.018 0.000 1.025 404 V CA 0.349 62.665 62.300 0.026 0.000 0.859 404 V CB 0.866 32.709 31.823 0.033 0.000 0.988 404 V HN 1.340 nan 8.190 nan 0.000 0.431 405 S N 3.288 118.932 115.700 -0.092 0.000 3.587 405 S HA -0.204 4.266 4.470 0.000 0.000 0.337 405 S C 0.931 175.361 174.600 -0.282 0.000 1.119 405 S CA 1.147 59.216 58.200 -0.218 0.000 0.976 405 S CB -1.120 61.865 63.200 -0.358 0.000 0.922 405 S HN 1.266 nan 8.310 nan 0.000 0.503 406 E N -1.728 118.394 120.200 -0.130 0.000 3.799 406 E HA -0.215 4.135 4.350 0.000 0.000 0.320 406 E C 0.041 176.620 176.600 -0.034 0.000 0.760 406 E CA 1.671 58.023 56.400 -0.079 0.000 1.153 406 E CB -1.617 28.031 29.700 -0.087 0.000 1.589 406 E HN 0.974 nan 8.360 nan 0.000 0.448 407 H N 0.079 119.151 119.070 0.004 0.000 2.771 407 H HA 0.337 4.893 4.556 0.000 0.000 0.364 407 H C 0.537 175.874 175.328 0.015 0.000 1.133 407 H CA 0.295 56.345 56.048 0.004 0.000 1.423 407 H CB 0.749 30.505 29.762 -0.011 0.000 1.425 407 H HN -0.048 nan 8.280 nan 0.000 0.606 408 K N 1.403 121.901 120.400 0.164 0.000 2.350 408 K HA 0.289 4.609 4.320 0.000 0.000 0.241 408 K C -1.103 175.523 176.600 0.042 0.000 0.994 408 K CA -1.108 55.240 56.287 0.102 0.000 0.839 408 K CB 1.892 34.453 32.500 0.102 0.000 1.244 408 K HN 0.136 nan 8.250 nan 0.000 0.443 409 L N 1.902 123.127 121.223 0.004 0.000 2.456 409 L HA 0.041 4.381 4.340 0.000 0.000 0.272 409 L C -0.352 176.304 176.870 -0.357 0.000 1.189 409 L CA 0.337 55.062 54.840 -0.191 0.000 0.846 409 L CB -0.336 41.601 42.059 -0.204 0.000 1.111 409 L HN 0.428 nan 8.230 nan 0.000 0.475 410 Y N 2.690 122.635 120.300 -0.592 0.000 2.365 410 Y HA 0.360 4.910 4.550 0.000 0.000 0.340 410 Y C -1.171 174.319 175.900 -0.683 0.000 1.016 410 Y CA -0.966 56.848 58.100 -0.476 0.000 1.196 410 Y CB 0.503 38.769 38.460 -0.324 0.000 1.167 410 Y HN 0.478 nan 8.280 nan 0.000 0.509 411 W N 9.147 130.048 121.300 -0.666 0.000 2.499 411 W HA 0.353 5.013 4.660 0.000 0.000 0.320 411 W C -1.798 174.235 176.519 -0.810 0.000 1.010 411 W CA -2.006 54.979 57.345 -0.600 0.000 1.267 411 W CB 1.598 30.888 29.460 -0.283 0.000 1.316 411 W HN 0.496 nan 8.180 nan 0.000 0.431 412 P HA -0.238 nan 4.420 nan 0.000 0.220 412 P C 0.499 177.711 177.300 -0.147 0.000 1.155 412 P CA 1.760 64.653 63.100 -0.344 0.000 0.880 412 P CB 0.243 31.888 31.700 -0.093 0.000 0.790 413 L N -3.518 117.613 121.223 -0.153 0.000 3.193 413 L HA 0.448 4.788 4.340 0.000 0.000 0.305 413 L C 1.103 177.841 176.870 -0.221 0.000 1.299 413 L CA 0.093 54.849 54.840 -0.140 0.000 0.904 413 L CB 0.516 42.499 42.059 -0.127 0.000 1.331 413 L HN 0.180 nan 8.230 nan 0.000 0.588 414 G N 0.114 108.821 108.800 -0.155 0.000 2.475 414 G HA2 -0.220 3.740 3.960 0.000 0.000 0.198 414 G HA3 -0.220 3.740 3.960 0.000 0.000 0.198 414 G C -0.511 174.383 174.900 -0.011 0.000 2.226 414 G CA 0.109 45.139 45.100 -0.116 0.000 1.626 414 G HN 0.206 nan 8.290 nan 0.000 0.534 415 Y N 0.177 120.429 120.300 -0.080 0.000 2.705 415 Y HA 0.846 5.396 4.550 0.000 0.000 0.332 415 Y C -2.624 172.777 175.900 -0.832 0.000 1.157 415 Y CA -2.464 55.438 58.100 -0.330 0.000 1.091 415 Y CB 0.283 38.598 38.460 -0.242 0.000 1.301 415 Y HN 0.334 nan 8.280 nan 0.000 0.488 416 P HA 0.100 nan 4.420 nan 0.000 0.269 416 P C -2.601 174.412 177.300 -0.478 0.000 1.209 416 P CA -0.748 61.432 63.100 -1.533 0.000 0.776 416 P CB 0.590 31.522 31.700 -1.280 0.000 0.876 417 P HA 0.225 nan 4.420 nan 0.000 0.274 417 P C -2.386 174.928 177.300 0.023 0.000 1.231 417 P CA -1.827 61.189 63.100 -0.140 0.000 0.790 417 P CB -0.574 31.014 31.700 -0.186 0.000 0.951 418 P HA 0.052 nan 4.420 nan 0.000 0.274 418 P C 0.285 177.538 177.300 -0.079 0.000 1.231 418 P CA 0.024 63.155 63.100 0.050 0.000 0.790 418 P CB 0.636 32.326 31.700 -0.016 0.000 0.951 419 D N 0.235 120.615 120.400 -0.033 0.000 2.363 419 D HA 0.000 4.640 4.640 0.000 0.000 0.220 419 D C 0.155 176.438 176.300 -0.029 0.000 0.994 419 D CA 0.352 54.249 54.000 -0.173 0.000 0.890 419 D CB -0.205 40.487 40.800 -0.181 0.000 0.906 419 D HN 0.047 nan 8.370 nan 0.000 0.530 420 V N 0.858 120.697 119.914 -0.125 0.000 2.638 420 V HA 0.366 4.486 4.120 0.000 0.000 0.306 420 V C -2.433 173.378 176.094 -0.473 0.000 1.052 420 V CA -1.855 60.237 62.300 -0.346 0.000 0.885 420 V CB 2.219 33.919 31.823 -0.205 0.000 0.999 420 V HN -0.140 nan 8.190 nan 0.000 0.424 421 P HA 0.175 nan 4.420 nan 0.000 0.272 421 P C 0.797 177.905 177.300 -0.321 0.000 1.223 421 P CA -0.349 62.461 63.100 -0.484 0.000 0.784 421 P CB 0.789 32.168 31.700 -0.535 0.000 0.923 422 K N 1.170 121.440 120.400 -0.215 0.000 2.077 422 K HA -0.216 4.104 4.320 0.000 0.000 0.213 422 K C 0.417 176.932 176.600 -0.142 0.000 1.051 422 K CA 1.931 58.128 56.287 -0.149 0.000 0.929 422 K CB -0.428 32.008 32.500 -0.107 0.000 0.715 422 K HN 0.445 nan 8.250 nan 0.000 0.451 423 c N 0.957 119.469 118.600 -0.147 0.000 2.688 423 c HA 0.414 4.984 4.570 0.000 0.000 0.297 423 c C 0.530 174.543 174.090 -0.128 0.000 1.308 423 c CA -0.188 56.072 56.329 -0.115 0.000 1.726 423 c CB -1.128 41.332 42.510 -0.082 0.000 1.982 423 c HN 0.772 nan 8.230 nan 0.000 0.604 424 G N 0.020 108.700 108.800 -0.200 0.000 2.746 424 G HA2 -0.186 3.774 3.960 0.000 0.000 0.685 424 G HA3 -0.186 3.774 3.960 0.000 0.000 0.685 424 G C -0.095 174.662 174.900 -0.238 0.000 1.350 424 G CA -0.571 44.415 45.100 -0.191 0.000 0.837 424 G HN 0.164 nan 8.290 nan 0.000 0.564 425 F N 0.076 119.992 119.950 -0.056 0.000 2.259 425 F HA 0.131 4.658 4.527 0.000 0.000 0.298 425 F C 1.952 177.736 175.800 -0.026 0.000 1.088 425 F CA 1.663 59.637 58.000 -0.043 0.000 1.358 425 F CB 0.303 39.281 39.000 -0.036 0.000 1.040 425 F HN 0.355 nan 8.300 nan 0.000 0.505 426 D N -0.120 120.361 120.400 0.135 0.000 2.894 426 D HA 0.021 4.661 4.640 0.000 0.000 0.273 426 D C -0.430 175.888 176.300 0.030 0.000 1.328 426 D CA -0.195 53.850 54.000 0.076 0.000 0.845 426 D CB -0.693 40.148 40.800 0.068 0.000 1.072 426 D HN 0.040 nan 8.370 nan 0.000 0.484 427 N N 1.620 120.322 118.700 0.003 0.000 2.160 427 N HA -0.179 4.561 4.740 0.000 0.000 0.283 427 N C 0.452 175.958 175.510 -0.006 0.000 1.363 427 N CA 0.770 53.811 53.050 -0.016 0.000 0.848 427 N CB 0.359 38.825 38.487 -0.035 0.000 1.127 427 N HN 0.149 nan 8.380 nan 0.000 0.493 428 E N 1.223 121.419 120.200 -0.005 0.000 2.660 428 E HA 0.070 4.420 4.350 0.000 0.000 0.216 428 E C -1.104 175.492 176.600 -0.007 0.000 0.986 428 E CA -0.237 56.161 56.400 -0.003 0.000 1.037 428 E CB 0.324 30.026 29.700 0.002 0.000 1.041 428 E HN 0.525 nan 8.360 nan 0.000 0.480 429 D N 0.554 120.947 120.400 -0.013 0.000 2.380 429 D HA 0.100 4.740 4.640 0.000 0.000 0.230 429 D C -1.873 174.418 176.300 -0.015 0.000 1.154 429 D CA -2.377 51.614 54.000 -0.015 0.000 0.859 429 D CB 1.484 42.272 40.800 -0.020 0.000 1.045 429 D HN -0.088 nan 8.370 nan 0.000 0.495 430 P HA -0.089 nan 4.420 nan 0.000 0.219 430 P C 0.823 178.115 177.300 -0.013 0.000 1.146 430 P CA 0.957 64.050 63.100 -0.011 0.000 0.808 430 P CB 0.323 32.018 31.700 -0.008 0.000 0.779 431 A N -1.890 120.921 122.820 -0.014 0.000 2.119 431 A HA -0.044 4.276 4.320 0.000 0.000 0.216 431 A C 1.122 178.695 177.584 -0.019 0.000 1.152 431 A CA 0.309 52.337 52.037 -0.015 0.000 0.708 431 A CB -1.084 17.908 19.000 -0.014 0.000 0.805 431 A HN 0.309 nan 8.150 nan 0.000 0.460 432 c N 1.481 120.067 118.600 -0.023 0.000 2.325 432 c HA 0.497 5.067 4.570 0.000 0.000 0.347 432 c C 0.117 174.189 174.090 -0.030 0.000 1.263 432 c CA -0.974 55.337 56.329 -0.030 0.000 1.806 432 c CB -0.993 41.495 42.510 -0.037 0.000 2.405 432 c HN 0.511 nan 8.230 nan 0.000 0.537 433 N N 3.926 122.608 118.700 -0.030 0.000 2.437 433 N HA 0.192 4.932 4.740 0.000 0.000 0.243 433 N C 0.887 176.376 175.510 -0.035 0.000 1.041 433 N CA 0.140 53.174 53.050 -0.028 0.000 0.940 433 N CB 0.822 39.295 38.487 -0.022 0.000 1.133 433 N HN 0.765 nan 8.380 nan 0.000 0.506 434 Q N 0.676 120.454 119.800 -0.038 0.000 2.368 434 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 434 Q C -0.269 175.706 176.000 -0.042 0.000 0.982 434 Q CA 0.964 56.737 55.803 -0.049 0.000 0.884 434 Q CB 0.135 28.846 28.738 -0.046 0.000 0.933 434 Q HN 0.655 nan 8.270 nan 0.000 0.460 435 D N 0.000 120.382 120.400 -0.030 0.000 6.856 435 D HA 0.000 4.640 4.640 0.000 0.000 0.175 435 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 435 D CB 0.000 40.791 40.800 -0.016 0.000 0.688 435 D HN 0.000 nan 8.370 nan 0.000 0.683