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 1wxx_1_D DATA FIRST_RESID 2 DATA SEQUENCE RIQVNAKGAA RLLSRHLWVF RRDVVSGPET PGLYPVYWGR RFLALALYNP DATA SEQUENCE HTDLAVRAYR FAPAEDPVAA LLENLAQALA RREAVLRQDP EGGYRLVHAE DATA SEQUENCE GDLLPGLVVD YYAGHAVVQA TAHAWEGLLP QVAEALRPHV QSVLAKNDAR DATA SEQUENCE TRELEGLPLY VRPLLGEVPE RVQVQEGRVR YLVDLRAGQK TGAYLDQREN DATA SEQUENCE RLYXERFRGE RALDVFSYAG GFALHLALGF REVVAVDSSA EALRRAEENA DATA SEQUENCE RLNGLGNVRV LEANAFDLLR RLEKEGERFD LVVLDPPAFA KGKKDVERAY DATA SEQUENCE RAYKEVNLRA IKLLKEGGIL ATASCSHHXT EPLFYAXVAE AAQDAHRLLR DATA SEQUENCE VVEKRGQPFD HPVLLNHPET HYLKFAVFQV L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.211 176.300 -0.149 0.000 0.893 2 R CA 0.000 56.067 56.100 -0.056 0.000 0.921 2 R CB 0.000 30.230 30.300 -0.117 0.000 0.687 3 I N 2.491 123.000 120.570 -0.102 0.000 2.336 3 I HA 0.227 4.398 4.170 0.002 0.000 0.292 3 I C -0.217 175.880 176.117 -0.034 0.000 0.991 3 I CA -0.644 60.523 61.300 -0.221 0.000 1.227 3 I CB 1.447 39.237 38.000 -0.351 0.000 1.366 3 I HN 0.186 nan 8.210 nan 0.000 0.466 4 Q N 6.423 126.206 119.800 -0.028 0.000 2.333 4 Q HA 0.452 4.794 4.340 0.002 0.000 0.265 4 Q C -0.485 175.575 176.000 0.100 0.000 0.989 4 Q CA -0.579 55.267 55.803 0.072 0.000 0.842 4 Q CB 2.570 31.335 28.738 0.045 0.000 1.262 4 Q HN 0.586 nan 8.270 nan 0.000 0.451 5 V N 0.252 120.269 119.914 0.171 0.000 3.096 5 V HA 0.612 4.734 4.120 0.002 0.000 0.319 5 V C 0.166 176.405 176.094 0.241 0.000 1.082 5 V CA -1.031 61.359 62.300 0.150 0.000 1.022 5 V CB 1.511 33.387 31.823 0.089 0.000 1.103 5 V HN 0.800 nan 8.190 nan 0.000 0.455 6 N N 1.658 120.428 118.700 0.116 0.000 2.418 6 N HA 0.478 5.219 4.740 0.002 0.000 0.283 6 N C 0.991 176.266 175.510 -0.391 0.000 1.267 6 N CA -0.053 53.048 53.050 0.086 0.000 0.975 6 N CB 0.505 39.028 38.487 0.059 0.000 1.167 6 N HN 0.934 nan 8.380 nan 0.000 0.581 7 A N -0.503 121.921 122.820 -0.659 0.000 1.940 7 A HA -0.210 4.112 4.320 0.002 0.000 0.219 7 A C 2.057 179.317 177.584 -0.541 0.000 1.176 7 A CA 1.849 53.269 52.037 -1.028 0.000 0.631 7 A CB -0.878 17.801 19.000 -0.535 0.000 0.814 7 A HN 0.821 nan 8.150 nan 0.000 0.446 8 K N -0.658 119.574 120.400 -0.280 0.000 2.026 8 K HA -0.104 4.218 4.320 0.002 0.000 0.208 8 K C 2.026 178.541 176.600 -0.141 0.000 1.048 8 K CA 1.497 57.687 56.287 -0.161 0.000 0.929 8 K CB -0.557 31.898 32.500 -0.076 0.000 0.713 8 K HN 0.364 nan 8.250 nan 0.000 0.439 9 G N 0.174 108.901 108.800 -0.122 0.000 2.408 9 G HA2 -0.219 3.743 3.960 0.002 0.000 0.217 9 G HA3 -0.219 3.743 3.960 0.002 0.000 0.217 9 G C 1.550 176.387 174.900 -0.105 0.000 1.150 9 G CA 0.815 45.882 45.100 -0.055 0.000 0.776 9 G HN 0.443 nan 8.290 nan 0.000 0.542 10 A N 1.336 123.995 122.820 -0.267 0.000 1.877 10 A HA 0.248 4.569 4.320 0.002 0.000 0.216 10 A C 2.832 180.282 177.584 -0.224 0.000 1.186 10 A CA 2.294 54.143 52.037 -0.313 0.000 0.620 10 A CB -0.879 17.604 19.000 -0.862 0.000 0.822 10 A HN 0.782 nan 8.150 nan 0.000 0.443 11 A N -0.261 122.408 122.820 -0.253 0.000 1.933 11 A HA -0.182 4.139 4.320 0.002 0.000 0.218 11 A C 2.243 179.780 177.584 -0.079 0.000 1.175 11 A CA 1.621 53.567 52.037 -0.152 0.000 0.628 11 A CB -0.464 18.449 19.000 -0.145 0.000 0.814 11 A HN 0.573 nan 8.150 nan 0.000 0.444 12 R N -0.624 119.842 120.500 -0.055 0.000 2.073 12 R HA -0.030 4.311 4.340 0.002 0.000 0.234 12 R C 2.053 178.390 176.300 0.062 0.000 1.134 12 R CA 1.540 57.644 56.100 0.005 0.000 0.952 12 R CB -0.517 29.794 30.300 0.019 0.000 0.850 12 R HN 0.501 nan 8.270 nan 0.000 0.433 13 L N 0.578 121.844 121.223 0.072 0.000 2.093 13 L HA -0.147 4.194 4.340 0.002 0.000 0.208 13 L C 2.322 179.199 176.870 0.010 0.000 1.085 13 L CA 0.957 55.889 54.840 0.153 0.000 0.755 13 L CB -0.328 41.834 42.059 0.172 0.000 0.904 13 L HN 0.207 nan 8.230 nan 0.000 0.435 14 L N -0.427 120.774 121.223 -0.037 0.000 2.141 14 L HA -0.161 4.180 4.340 0.002 0.000 0.209 14 L C 2.703 179.495 176.870 -0.130 0.000 1.094 14 L CA 1.405 56.196 54.840 -0.083 0.000 0.763 14 L CB -0.440 41.587 42.059 -0.053 0.000 0.908 14 L HN 0.382 nan 8.230 nan 0.000 0.437 15 S N -1.124 114.521 115.700 -0.092 0.000 2.561 15 S HA -0.069 4.402 4.470 0.002 0.000 0.225 15 S C 0.955 175.478 174.600 -0.128 0.000 0.977 15 S CA -0.163 57.988 58.200 -0.083 0.000 0.926 15 S CB 0.074 63.257 63.200 -0.029 0.000 0.769 15 S HN 0.392 nan 8.310 nan 0.000 0.533 16 R N 0.383 120.748 120.500 -0.225 0.000 3.854 16 R HA -0.125 4.216 4.340 0.002 0.000 0.352 16 R C -0.274 175.999 176.300 -0.045 0.000 1.156 16 R CA 0.863 56.733 56.100 -0.384 0.000 0.917 16 R CB -3.203 26.833 30.300 -0.439 0.000 1.471 16 R HN 0.799 nan 8.270 nan 0.000 0.521 17 H N 1.087 120.154 119.070 -0.005 0.000 2.551 17 H HA 0.221 4.778 4.556 0.002 0.000 0.358 17 H C 1.335 176.781 175.328 0.197 0.000 1.151 17 H CA 0.265 56.321 56.048 0.014 0.000 1.374 17 H CB 0.761 30.474 29.762 -0.081 0.000 1.473 17 H HN 0.090 nan 8.280 nan 0.000 0.574 18 L N 2.004 123.320 121.223 0.154 0.000 2.529 18 L HA 0.070 4.411 4.340 0.002 0.000 0.223 18 L C 0.046 177.198 176.870 0.470 0.000 1.113 18 L CA -0.092 54.920 54.840 0.288 0.000 0.861 18 L CB 0.119 42.225 42.059 0.079 0.000 1.012 18 L HN 0.331 nan 8.230 nan 0.000 0.461 19 W N 0.374 121.972 121.300 0.496 0.000 2.551 19 W HA 0.591 5.253 4.660 0.004 0.000 0.330 19 W C -0.627 175.924 176.519 0.054 0.000 1.063 19 W CA -1.206 56.252 57.345 0.188 0.000 1.222 19 W CB 1.329 30.849 29.460 0.101 0.000 1.349 19 W HN -0.490 nan 8.180 nan 0.000 0.536 20 V N 3.874 123.862 119.914 0.124 0.000 2.569 20 V HA 0.317 4.438 4.120 0.002 0.000 0.301 20 V C -0.483 175.566 176.094 -0.075 0.000 1.044 20 V CA -0.960 61.397 62.300 0.096 0.000 0.874 20 V CB 0.963 32.854 31.823 0.112 0.000 1.002 20 V HN 0.230 nan 8.190 nan 0.000 0.424 21 F N 3.515 123.515 119.950 0.084 0.000 2.380 21 F HA 0.393 4.921 4.527 0.002 0.000 0.325 21 F C 1.884 177.715 175.800 0.052 0.000 1.136 21 F CA -0.570 57.456 58.000 0.044 0.000 1.171 21 F CB 0.735 39.748 39.000 0.022 0.000 1.230 21 F HN 0.611 nan 8.300 nan 0.000 0.554 22 R N 0.777 121.391 120.500 0.190 0.000 2.139 22 R HA -0.166 4.175 4.340 0.002 0.000 0.243 22 R C 1.551 177.928 176.300 0.129 0.000 1.145 22 R CA 1.723 57.904 56.100 0.134 0.000 0.976 22 R CB -0.517 29.837 30.300 0.090 0.000 0.866 22 R HN 0.583 nan 8.270 nan 0.000 0.449 23 R N 0.524 121.106 120.500 0.137 0.000 2.193 23 R HA -0.059 4.282 4.340 0.002 0.000 0.229 23 R C 0.553 176.907 176.300 0.090 0.000 1.110 23 R CA 1.365 57.522 56.100 0.095 0.000 0.988 23 R CB 0.018 30.362 30.300 0.073 0.000 0.871 23 R HN 0.382 nan 8.270 nan 0.000 0.458 24 D N -0.208 120.260 120.400 0.113 0.000 2.368 24 D HA 0.063 4.705 4.640 0.002 0.000 0.218 24 D C -0.505 175.850 176.300 0.093 0.000 1.112 24 D CA 0.224 54.278 54.000 0.089 0.000 0.834 24 D CB 0.785 41.637 40.800 0.087 0.000 0.953 24 D HN -0.094 nan 8.370 nan 0.000 0.505 25 V N 1.642 121.619 119.914 0.105 0.000 2.350 25 V HA 0.067 4.188 4.120 0.002 0.000 0.276 25 V C 1.554 177.700 176.094 0.087 0.000 1.028 25 V CA -0.354 62.008 62.300 0.102 0.000 0.860 25 V CB 1.933 33.844 31.823 0.147 0.000 0.990 25 V HN -0.126 nan 8.190 nan 0.000 0.453 26 V N 3.612 123.575 119.914 0.082 0.000 2.379 26 V HA 0.008 4.130 4.120 0.002 0.000 0.245 26 V C 0.947 177.068 176.094 0.045 0.000 1.044 26 V CA 1.667 64.011 62.300 0.073 0.000 1.036 26 V CB 0.064 31.943 31.823 0.093 0.000 0.664 26 V HN 0.961 nan 8.190 nan 0.000 0.453 27 S N -1.927 113.786 115.700 0.022 0.000 2.565 27 S HA 0.795 5.267 4.470 0.002 0.000 0.269 27 S C -0.579 173.979 174.600 -0.070 0.000 1.153 27 S CA -0.031 58.164 58.200 -0.009 0.000 0.835 27 S CB 2.085 65.272 63.200 -0.022 0.000 1.122 27 S HN 0.826 nan 8.310 nan 0.000 0.462 28 G N 0.256 109.002 108.800 -0.090 0.000 2.430 28 G HA2 0.648 4.609 3.960 0.002 0.000 0.300 28 G HA3 0.648 4.609 3.960 0.002 0.000 0.300 28 G C -3.496 171.306 174.900 -0.163 0.000 1.330 28 G CA -0.806 44.157 45.100 -0.229 0.000 0.813 28 G HN 0.720 nan 8.290 nan 0.000 0.487 29 P HA 0.246 nan 4.420 nan 0.000 0.269 29 P C 0.299 177.599 177.300 -0.000 0.000 1.217 29 P CA -0.023 62.950 63.100 -0.211 0.000 0.783 29 P CB 0.731 32.110 31.700 -0.536 0.000 0.898 30 E N -0.790 119.406 120.200 -0.007 0.000 2.479 30 E HA 0.039 4.390 4.350 0.002 0.000 0.193 30 E C 0.267 176.879 176.600 0.020 0.000 1.049 30 E CA 0.408 56.822 56.400 0.023 0.000 0.870 30 E CB 0.152 29.875 29.700 0.037 0.000 0.944 30 E HN 0.586 nan 8.360 nan 0.000 0.492 31 T N -1.712 112.852 114.554 0.016 0.000 2.896 31 T HA 0.427 4.779 4.350 0.002 0.000 0.297 31 T C -2.997 171.711 174.700 0.012 0.000 1.108 31 T CA -2.526 59.572 62.100 -0.003 0.000 1.004 31 T CB 2.099 70.987 68.868 0.034 0.000 1.159 31 T HN -0.333 nan 8.240 nan 0.000 0.499 32 P HA 0.557 nan 4.420 nan 0.000 0.270 32 P C 0.369 177.720 177.300 0.084 0.000 1.223 32 P CA 0.611 63.667 63.100 -0.074 0.000 0.785 32 P CB 0.427 32.004 31.700 -0.206 0.000 0.923 33 G N 0.124 109.034 108.800 0.183 0.000 2.323 33 G HA2 0.320 4.282 3.960 0.002 0.000 0.291 33 G HA3 0.320 4.282 3.960 0.002 0.000 0.291 33 G C -2.112 172.634 174.900 -0.256 0.000 1.278 33 G CA -0.786 44.284 45.100 -0.050 0.000 0.860 33 G HN 0.413 nan 8.290 nan 0.000 0.504 34 L N 0.741 121.603 121.223 -0.603 0.000 2.305 34 L HA 0.710 5.051 4.340 0.002 0.000 0.284 34 L C -1.158 175.347 176.870 -0.608 0.000 1.013 34 L CA -0.671 53.949 54.840 -0.367 0.000 0.819 34 L CB 1.250 43.187 42.059 -0.204 0.000 1.227 34 L HN 0.559 nan 8.230 nan 0.000 0.417 35 Y N 3.009 123.368 120.300 0.099 0.000 2.571 35 Y HA 0.488 5.039 4.550 0.002 0.000 0.341 35 Y C -2.397 173.525 175.900 0.037 0.000 1.076 35 Y CA -2.427 55.707 58.100 0.056 0.000 1.029 35 Y CB 1.774 40.229 38.460 -0.009 0.000 1.308 35 Y HN 0.374 nan 8.280 nan 0.000 0.461 36 P HA 0.274 nan 4.420 nan 0.000 0.278 36 P C -1.003 176.345 177.300 0.080 0.000 1.238 36 P CA -0.218 62.996 63.100 0.190 0.000 0.794 36 P CB 1.935 33.910 31.700 0.458 0.000 0.955 37 V N 3.599 123.369 119.914 -0.238 0.000 2.459 37 V HA 0.380 4.502 4.120 0.002 0.000 0.295 37 V C -0.491 175.397 176.094 -0.343 0.000 1.029 37 V CA -0.327 61.864 62.300 -0.183 0.000 0.874 37 V CB 0.859 32.562 31.823 -0.201 0.000 0.985 37 V HN 0.460 nan 8.190 nan 0.000 0.438 38 Y N 1.791 122.047 120.300 -0.073 0.000 2.570 38 Y HA 0.472 5.024 4.550 0.003 0.000 0.345 38 Y C -0.412 175.578 175.900 0.150 0.000 1.014 38 Y CA -0.990 57.118 58.100 0.014 0.000 1.063 38 Y CB 2.178 40.655 38.460 0.028 0.000 1.272 38 Y HN 0.754 nan 8.280 nan 0.000 0.477 39 W N 4.163 125.536 121.300 0.123 0.000 2.413 39 W HA 0.461 5.122 4.660 0.003 0.000 0.308 39 W C 0.147 176.729 176.519 0.106 0.000 0.997 39 W CA -0.266 57.125 57.345 0.076 0.000 1.447 39 W CB 0.688 30.171 29.460 0.038 0.000 1.263 39 W HN 0.886 nan 8.180 nan 0.000 0.416 40 G N 4.660 113.341 108.800 -0.199 0.000 2.556 40 G HA2 -0.361 3.600 3.960 0.002 0.000 0.283 40 G HA3 -0.361 3.600 3.960 0.002 0.000 0.283 40 G C 0.717 175.571 174.900 -0.077 0.000 1.177 40 G CA 0.261 45.164 45.100 -0.328 0.000 0.978 40 G HN 0.549 nan 8.290 nan 0.000 0.554 41 R N 1.107 121.566 120.500 -0.068 0.000 2.334 41 R HA 0.149 4.490 4.340 0.002 0.000 0.220 41 R C 1.324 177.779 176.300 0.258 0.000 0.917 41 R CA 0.172 56.302 56.100 0.049 0.000 1.073 41 R CB 0.022 30.315 30.300 -0.011 0.000 1.056 41 R HN 0.504 nan 8.270 nan 0.000 0.506 42 R N 0.960 121.607 120.500 0.245 0.000 2.207 42 R HA 0.110 4.452 4.340 0.002 0.000 0.334 42 R C -0.813 175.601 176.300 0.191 0.000 1.013 42 R CA -0.436 55.809 56.100 0.243 0.000 0.858 42 R CB 0.261 30.662 30.300 0.168 0.000 1.094 42 R HN -0.164 nan 8.270 nan 0.000 0.457 43 F N 5.347 125.227 119.950 -0.117 0.000 2.572 43 F HA 0.047 4.575 4.527 0.002 0.000 0.370 43 F C 0.108 175.758 175.800 -0.250 0.000 1.103 43 F CA 0.393 58.034 58.000 -0.598 0.000 1.286 43 F CB 0.636 39.381 39.000 -0.425 0.000 1.105 43 F HN 0.566 nan 8.300 nan 0.000 0.583 44 L N 4.326 124.913 121.223 -1.060 0.000 2.600 44 L HA 0.550 4.892 4.340 0.002 0.000 0.213 44 L C 0.389 176.843 176.870 -0.693 0.000 1.045 44 L CA 0.359 54.871 54.840 -0.547 0.000 0.863 44 L CB -0.078 41.833 42.059 -0.247 0.000 1.189 44 L HN 0.749 nan 8.230 nan 0.000 0.484 45 A N -0.327 121.734 122.820 -1.266 0.000 2.515 45 A HA 0.611 4.932 4.320 0.002 0.000 0.292 45 A C -1.957 175.232 177.584 -0.659 0.000 1.065 45 A CA -0.537 51.007 52.037 -0.822 0.000 0.641 45 A CB 0.767 19.390 19.000 -0.628 0.000 1.306 45 A HN -0.031 nan 8.150 nan 0.000 0.441 46 L N 0.249 121.190 121.223 -0.469 0.000 2.317 46 L HA 0.798 5.139 4.340 0.002 0.000 0.281 46 L C 0.382 176.940 176.870 -0.520 0.000 1.024 46 L CA -0.352 54.236 54.840 -0.421 0.000 0.810 46 L CB 1.664 43.349 42.059 -0.625 0.000 1.240 46 L HN 1.124 nan 8.230 nan 0.000 0.427 47 A N 3.038 125.787 122.820 -0.119 0.000 2.594 47 A HA 0.800 5.121 4.320 0.002 0.000 0.291 47 A C -1.493 176.262 177.584 0.286 0.000 1.105 47 A CA -0.598 51.511 52.037 0.121 0.000 0.694 47 A CB 1.461 20.497 19.000 0.061 0.000 1.291 47 A HN 0.475 nan 8.150 nan 0.000 0.410 48 L N 1.111 122.495 121.223 0.268 0.000 2.292 48 L HA 0.539 4.880 4.340 0.002 0.000 0.284 48 L C -0.593 176.422 176.870 0.242 0.000 1.065 48 L CA 0.017 54.954 54.840 0.162 0.000 0.806 48 L CB 0.938 43.040 42.059 0.073 0.000 1.175 48 L HN 0.677 nan 8.230 nan 0.000 0.431 49 Y N 3.510 123.868 120.300 0.097 0.000 2.499 49 Y HA 0.571 5.122 4.550 0.002 0.000 0.347 49 Y C -0.717 175.214 175.900 0.051 0.000 0.987 49 Y CA -1.063 57.100 58.100 0.105 0.000 1.044 49 Y CB 1.703 40.304 38.460 0.235 0.000 1.245 49 Y HN 0.600 nan 8.280 nan 0.000 0.461 50 N N 6.816 125.054 118.700 -0.771 0.000 2.558 50 N HA 0.297 5.038 4.740 0.002 0.000 0.285 50 N C -2.773 172.120 175.510 -1.028 0.000 1.112 50 N CA -1.905 50.728 53.050 -0.695 0.000 0.857 50 N CB 2.666 40.964 38.487 -0.315 0.000 1.376 50 N HN 0.417 nan 8.380 nan 0.000 0.526 51 P HA 0.074 nan 4.420 nan 0.000 0.249 51 P C -0.071 176.952 177.300 -0.462 0.000 1.241 51 P CA 0.671 63.329 63.100 -0.737 0.000 0.781 51 P CB 0.075 31.493 31.700 -0.471 0.000 1.088 52 H N -1.544 117.415 119.070 -0.185 0.000 2.874 52 H HA 0.128 4.685 4.556 0.002 0.000 0.264 52 H C 0.873 176.152 175.328 -0.082 0.000 1.007 52 H CA 0.082 56.069 56.048 -0.101 0.000 1.207 52 H CB 0.473 30.185 29.762 -0.084 0.000 1.487 52 H HN 0.112 nan 8.280 nan 0.000 0.505 53 T N -2.057 112.477 114.554 -0.033 0.000 2.952 53 T HA 0.091 4.442 4.350 0.002 0.000 0.286 53 T C 0.781 175.467 174.700 -0.024 0.000 1.024 53 T CA -0.712 61.370 62.100 -0.029 0.000 1.029 53 T CB 2.375 71.204 68.868 -0.065 0.000 1.094 53 T HN -0.021 nan 8.240 nan 0.000 0.515 54 D N -0.358 120.057 120.400 0.025 0.000 2.123 54 D HA -0.109 4.532 4.640 0.002 0.000 0.196 54 D C 0.715 177.091 176.300 0.126 0.000 0.992 54 D CA 0.738 54.809 54.000 0.118 0.000 0.833 54 D CB -0.150 40.748 40.800 0.164 0.000 0.954 54 D HN 0.382 nan 8.370 nan 0.000 0.455 55 L N 0.663 121.834 121.223 -0.087 0.000 2.328 55 L HA 0.495 4.837 4.340 0.002 0.000 0.280 55 L C 0.789 177.456 176.870 -0.340 0.000 1.111 55 L CA -0.228 54.309 54.840 -0.504 0.000 0.909 55 L CB 0.225 41.865 42.059 -0.698 0.000 1.277 55 L HN 0.034 nan 8.230 nan 0.000 0.433 56 A N 4.153 126.831 122.820 -0.236 0.000 1.935 56 A HA 0.242 4.564 4.320 0.002 0.000 0.214 56 A C 0.604 178.194 177.584 0.010 0.000 1.178 56 A CA 0.659 52.607 52.037 -0.148 0.000 0.640 56 A CB 0.112 19.114 19.000 0.002 0.000 0.825 56 A HN 0.414 nan 8.150 nan 0.000 0.447 57 V N 0.595 120.534 119.914 0.042 0.000 2.448 57 V HA 0.452 4.573 4.120 0.002 0.000 0.295 57 V C -0.479 175.696 176.094 0.134 0.000 1.025 57 V CA -0.620 61.775 62.300 0.159 0.000 0.859 57 V CB 1.308 33.230 31.823 0.165 0.000 0.988 57 V HN 0.413 nan 8.190 nan 0.000 0.431 58 R N 3.246 123.860 120.500 0.189 0.000 2.407 58 R HA 0.668 5.009 4.340 0.002 0.000 0.298 58 R C -0.151 176.290 176.300 0.235 0.000 1.166 58 R CA -0.332 55.945 56.100 0.296 0.000 1.006 58 R CB 1.857 32.307 30.300 0.251 0.000 1.145 58 R HN 0.836 nan 8.270 nan 0.000 0.538 59 A N 1.939 124.855 122.820 0.159 0.000 2.386 59 A HA 0.206 4.528 4.320 0.002 0.000 0.248 59 A C 0.048 177.617 177.584 -0.025 0.000 1.082 59 A CA -0.048 51.948 52.037 -0.069 0.000 0.789 59 A CB 0.009 18.820 19.000 -0.315 0.000 1.025 59 A HN 0.932 nan 8.150 nan 0.000 0.490 60 Y N -0.974 119.186 120.300 -0.234 0.000 2.590 60 Y HA 0.549 5.100 4.550 0.002 0.000 0.263 60 Y C 0.162 175.952 175.900 -0.183 0.000 1.069 60 Y CA -0.697 57.315 58.100 -0.147 0.000 1.242 60 Y CB 0.531 38.964 38.460 -0.045 0.000 1.357 60 Y HN 0.446 nan 8.280 nan 0.000 0.556 61 R N 0.459 120.541 120.500 -0.697 0.000 2.604 61 R HA 0.319 4.660 4.340 0.002 0.000 0.270 61 R C -1.905 174.043 176.300 -0.588 0.000 1.052 61 R CA -0.749 55.072 56.100 -0.464 0.000 0.902 61 R CB 1.040 31.105 30.300 -0.392 0.000 1.233 61 R HN 0.232 nan 8.270 nan 0.000 0.455 62 F N 0.405 120.348 119.950 -0.013 0.000 2.855 62 F HA 0.539 5.068 4.527 0.003 0.000 0.317 62 F C 0.364 176.266 175.800 0.169 0.000 1.169 62 F CA -0.239 57.779 58.000 0.031 0.000 1.299 62 F CB 1.252 40.255 39.000 0.005 0.000 0.962 62 F HN 0.511 nan 8.300 nan 0.000 0.506 63 A N 0.603 123.607 122.820 0.306 0.000 2.574 63 A HA 0.726 5.047 4.320 0.002 0.000 0.297 63 A C -2.784 174.792 177.584 -0.012 0.000 1.062 63 A CA -1.548 50.606 52.037 0.195 0.000 0.686 63 A CB 1.337 20.384 19.000 0.078 0.000 1.285 63 A HN -0.092 nan 8.150 nan 0.000 0.403 64 P HA 0.456 nan 4.420 nan 0.000 0.270 64 P C -0.420 176.744 177.300 -0.228 0.000 1.223 64 P CA 0.151 62.879 63.100 -0.620 0.000 0.785 64 P CB 1.208 32.390 31.700 -0.863 0.000 0.923 65 A N 1.323 124.057 122.820 -0.144 0.000 2.455 65 A HA 0.306 4.628 4.320 0.002 0.000 0.300 65 A C 0.908 178.467 177.584 -0.041 0.000 1.040 65 A CA -0.577 51.423 52.037 -0.062 0.000 0.697 65 A CB 0.956 19.949 19.000 -0.012 0.000 1.265 65 A HN 0.507 nan 8.150 nan 0.000 0.407 66 E N 0.647 120.828 120.200 -0.031 0.000 2.110 66 E HA -0.138 4.213 4.350 0.002 0.000 0.193 66 E C -0.346 176.253 176.600 -0.002 0.000 0.988 66 E CA 1.091 57.480 56.400 -0.018 0.000 0.804 66 E CB 0.283 29.974 29.700 -0.016 0.000 0.745 66 E HN 0.601 nan 8.360 nan 0.000 0.458 67 D N -0.659 119.744 120.400 0.004 0.000 2.420 67 D HA 0.129 4.770 4.640 0.002 0.000 0.255 67 D C -2.132 174.183 176.300 0.025 0.000 1.185 67 D CA -2.431 51.575 54.000 0.009 0.000 0.904 67 D CB 1.403 42.205 40.800 0.004 0.000 1.102 67 D HN -0.252 nan 8.370 nan 0.000 0.534 68 P HA -0.154 nan 4.420 nan 0.000 0.216 68 P C 1.590 178.924 177.300 0.056 0.000 1.150 68 P CA 0.610 63.766 63.100 0.094 0.000 0.843 68 P CB 0.572 32.318 31.700 0.076 0.000 0.787 69 V N 0.082 119.975 119.914 -0.034 0.000 2.307 69 V HA -0.230 3.891 4.120 0.002 0.000 0.245 69 V C 2.463 178.514 176.094 -0.072 0.000 1.045 69 V CA 2.187 64.422 62.300 -0.109 0.000 1.024 69 V CB -1.747 30.014 31.823 -0.104 0.000 0.651 69 V HN 0.098 nan 8.190 nan 0.000 0.449 70 A N 0.005 122.812 122.820 -0.022 0.000 1.978 70 A HA -0.141 4.180 4.320 0.002 0.000 0.220 70 A C 2.395 179.993 177.584 0.024 0.000 1.170 70 A CA 2.153 54.190 52.037 -0.000 0.000 0.636 70 A CB -0.701 18.303 19.000 0.007 0.000 0.810 70 A HN 0.577 nan 8.150 nan 0.000 0.448 71 A N -0.613 122.242 122.820 0.057 0.000 1.873 71 A HA 0.002 4.323 4.320 0.002 0.000 0.215 71 A C 2.106 179.768 177.584 0.131 0.000 1.186 71 A CA 1.643 53.754 52.037 0.123 0.000 0.616 71 A CB -0.597 18.523 19.000 0.199 0.000 0.823 71 A HN 0.624 nan 8.150 nan 0.000 0.442 72 L N -0.168 121.064 121.223 0.015 0.000 2.083 72 L HA -0.078 4.263 4.340 0.002 0.000 0.209 72 L C 2.220 179.071 176.870 -0.032 0.000 1.083 72 L CA 1.577 56.285 54.840 -0.219 0.000 0.752 72 L CB -0.412 41.239 42.059 -0.679 0.000 0.899 72 L HN 0.405 nan 8.230 nan 0.000 0.433 73 L N -1.106 120.109 121.223 -0.012 0.000 2.217 73 L HA -0.157 4.184 4.340 0.002 0.000 0.211 73 L C 2.386 179.302 176.870 0.077 0.000 1.107 73 L CA 0.942 55.823 54.840 0.068 0.000 0.783 73 L CB -0.507 41.576 42.059 0.039 0.000 0.919 73 L HN 0.345 nan 8.230 nan 0.000 0.442 74 E N 0.131 120.369 120.200 0.064 0.000 2.072 74 E HA -0.187 4.165 4.350 0.002 0.000 0.191 74 E C 1.838 178.484 176.600 0.076 0.000 0.985 74 E CA 1.040 57.479 56.400 0.064 0.000 0.801 74 E CB -0.020 29.717 29.700 0.063 0.000 0.750 74 E HN 0.430 nan 8.360 nan 0.000 0.452 75 N N 0.792 119.551 118.700 0.098 0.000 2.166 75 N HA -0.157 4.584 4.740 0.002 0.000 0.186 75 N C 1.703 177.268 175.510 0.092 0.000 1.019 75 N CA 0.604 53.718 53.050 0.107 0.000 0.856 75 N CB -0.244 38.329 38.487 0.143 0.000 0.993 75 N HN 0.083 nan 8.380 nan 0.000 0.426 76 L N 0.663 121.956 121.223 0.116 0.000 2.046 76 L HA 0.004 4.345 4.340 0.002 0.000 0.208 76 L C 1.962 178.859 176.870 0.046 0.000 1.077 76 L CA 1.613 56.504 54.840 0.085 0.000 0.747 76 L CB -0.950 41.191 42.059 0.136 0.000 0.896 76 L HN 0.140 nan 8.230 nan 0.000 0.432 77 A N -1.020 121.834 122.820 0.056 0.000 1.902 77 A HA -0.248 4.073 4.320 0.002 0.000 0.217 77 A C 2.160 179.762 177.584 0.029 0.000 1.181 77 A CA 1.799 53.863 52.037 0.045 0.000 0.623 77 A CB -0.584 18.444 19.000 0.047 0.000 0.818 77 A HN 0.683 nan 8.150 nan 0.000 0.443 78 Q N -0.565 119.255 119.800 0.033 0.000 2.119 78 Q HA -0.066 4.276 4.340 0.002 0.000 0.201 78 Q C 2.386 178.391 176.000 0.008 0.000 0.972 78 Q CA 1.241 57.059 55.803 0.024 0.000 0.847 78 Q CB -0.386 28.374 28.738 0.036 0.000 0.903 78 Q HN 0.684 nan 8.270 nan 0.000 0.433 79 A N 1.191 124.013 122.820 0.002 0.000 1.873 79 A HA -0.130 4.191 4.320 0.002 0.000 0.215 79 A C 2.099 179.647 177.584 -0.060 0.000 1.186 79 A CA 1.003 53.024 52.037 -0.026 0.000 0.616 79 A CB -0.658 18.321 19.000 -0.035 0.000 0.823 79 A HN 0.267 nan 8.150 nan 0.000 0.442 80 L N -0.681 120.504 121.223 -0.062 0.000 2.083 80 L HA -0.192 4.149 4.340 0.002 0.000 0.209 80 L C 3.048 179.840 176.870 -0.130 0.000 1.083 80 L CA 0.990 55.760 54.840 -0.118 0.000 0.752 80 L CB -0.669 41.349 42.059 -0.068 0.000 0.899 80 L HN 0.444 nan 8.230 nan 0.000 0.433 81 A N 0.331 123.117 122.820 -0.056 0.000 1.978 81 A HA -0.208 4.113 4.320 0.002 0.000 0.220 81 A C 2.361 179.914 177.584 -0.051 0.000 1.170 81 A CA 1.446 53.458 52.037 -0.042 0.000 0.636 81 A CB -0.474 18.521 19.000 -0.008 0.000 0.810 81 A HN 0.369 nan 8.150 nan 0.000 0.448 82 R N -1.371 119.108 120.500 -0.035 0.000 2.189 82 R HA -0.010 4.331 4.340 0.002 0.000 0.218 82 R C 1.678 178.002 176.300 0.039 0.000 1.074 82 R CA 1.142 57.249 56.100 0.011 0.000 0.991 82 R CB -0.076 30.252 30.300 0.047 0.000 0.883 82 R HN 0.314 nan 8.270 nan 0.000 0.457 83 R N 0.129 120.589 120.500 -0.066 0.000 2.334 83 R HA 0.084 4.426 4.340 0.002 0.000 0.212 83 R C 1.406 177.550 176.300 -0.259 0.000 0.897 83 R CA 0.258 56.281 56.100 -0.128 0.000 1.056 83 R CB 0.196 30.348 30.300 -0.246 0.000 1.046 83 R HN 0.254 nan 8.270 nan 0.000 0.513 84 E N 0.821 120.877 120.200 -0.239 0.000 2.065 84 E HA -0.284 4.068 4.350 0.002 0.000 0.201 84 E C 1.943 178.438 176.600 -0.175 0.000 1.016 84 E CA 1.679 57.945 56.400 -0.223 0.000 0.818 84 E CB -0.241 29.398 29.700 -0.102 0.000 0.749 84 E HN 0.370 nan 8.360 nan 0.000 0.453 85 A N 1.410 124.139 122.820 -0.152 0.000 1.892 85 A HA -0.205 4.116 4.320 0.002 0.000 0.218 85 A C 2.623 180.093 177.584 -0.189 0.000 1.188 85 A CA 2.199 54.148 52.037 -0.147 0.000 0.631 85 A CB -1.111 17.801 19.000 -0.147 0.000 0.822 85 A HN 0.266 nan 8.150 nan 0.000 0.447 86 V N -2.052 117.699 119.914 -0.272 0.000 2.626 86 V HA -0.118 4.004 4.120 0.002 0.000 0.252 86 V C 2.161 178.029 176.094 -0.377 0.000 1.067 86 V CA 1.802 63.887 62.300 -0.359 0.000 1.081 86 V CB -0.857 30.626 31.823 -0.568 0.000 0.686 86 V HN 0.461 nan 8.190 nan 0.000 0.468 87 L N -0.264 120.728 121.223 -0.385 0.000 2.156 87 L HA -0.016 4.325 4.340 0.002 0.000 0.208 87 L C 3.076 179.863 176.870 -0.138 0.000 1.095 87 L CA 1.605 56.238 54.840 -0.346 0.000 0.770 87 L CB -0.499 41.305 42.059 -0.425 0.000 0.914 87 L HN 0.287 nan 8.230 nan 0.000 0.439 88 R N 0.185 120.623 120.500 -0.103 0.000 2.093 88 R HA -0.137 4.204 4.340 0.002 0.000 0.224 88 R C 2.178 178.461 176.300 -0.028 0.000 1.101 88 R CA 1.249 57.325 56.100 -0.040 0.000 0.979 88 R CB -0.132 30.147 30.300 -0.035 0.000 0.877 88 R HN 0.551 nan 8.270 nan 0.000 0.441 89 Q N 0.056 119.827 119.800 -0.047 0.000 2.402 89 Q HA 0.007 4.348 4.340 0.002 0.000 0.206 89 Q C -0.154 175.855 176.000 0.014 0.000 0.919 89 Q CA 0.798 56.589 55.803 -0.020 0.000 0.923 89 Q CB 0.495 29.211 28.738 -0.035 0.000 1.048 89 Q HN -0.025 nan 8.270 nan 0.000 0.515 90 D N 1.131 121.546 120.400 0.025 0.000 2.879 90 D HA 0.182 4.824 4.640 0.002 0.000 0.351 90 D C -1.892 174.509 176.300 0.169 0.000 1.239 90 D CA -1.993 52.077 54.000 0.117 0.000 0.771 90 D CB 1.101 42.024 40.800 0.205 0.000 1.176 90 D HN -0.013 nan 8.370 nan 0.000 0.496 91 P HA -0.140 nan 4.420 nan 0.000 0.221 91 P C 0.585 178.063 177.300 0.297 0.000 1.145 91 P CA 0.946 64.170 63.100 0.206 0.000 0.795 91 P CB 0.433 32.213 31.700 0.133 0.000 0.775 92 E N -0.206 120.116 120.200 0.203 0.000 2.463 92 E HA 0.180 4.531 4.350 0.002 0.000 0.193 92 E C 1.272 177.970 176.600 0.163 0.000 1.041 92 E CA -0.385 56.104 56.400 0.148 0.000 0.879 92 E CB 0.148 29.892 29.700 0.074 0.000 0.997 92 E HN 0.246 nan 8.360 nan 0.000 0.478 93 G N 0.384 109.355 108.800 0.285 0.000 2.563 93 G HA2 0.440 4.401 3.960 0.002 0.000 0.283 93 G HA3 0.440 4.401 3.960 0.002 0.000 0.283 93 G C -0.123 174.902 174.900 0.208 0.000 1.309 93 G CA -0.275 44.949 45.100 0.206 0.000 1.022 93 G HN 0.132 nan 8.290 nan 0.000 0.501 94 G N -1.178 107.567 108.800 -0.092 0.000 2.557 94 G HA2 0.596 4.558 3.960 0.002 0.000 0.310 94 G HA3 0.596 4.558 3.960 0.002 0.000 0.310 94 G C -1.649 173.022 174.900 -0.382 0.000 1.328 94 G CA -0.323 44.785 45.100 0.013 0.000 0.945 94 G HN 0.397 nan 8.290 nan 0.000 0.494 95 Y N 0.158 120.522 120.300 0.107 0.000 2.562 95 Y HA 0.562 5.113 4.550 0.001 0.000 0.345 95 Y C 0.268 176.082 175.900 -0.143 0.000 1.045 95 Y CA -1.138 56.942 58.100 -0.032 0.000 1.028 95 Y CB 2.427 40.819 38.460 -0.113 0.000 1.297 95 Y HN 0.589 nan 8.280 nan 0.000 0.463 96 R N 2.128 122.568 120.500 -0.100 0.000 2.254 96 R HA 0.446 4.788 4.340 0.002 0.000 0.318 96 R C -0.435 175.705 176.300 -0.267 0.000 1.031 96 R CA -0.094 55.842 56.100 -0.275 0.000 0.905 96 R CB 0.393 30.293 30.300 -0.667 0.000 1.050 96 R HN 0.932 nan 8.270 nan 0.000 0.456 97 L N 3.480 124.585 121.223 -0.197 0.000 2.354 97 L HA 0.235 4.577 4.340 0.002 0.000 0.212 97 L C -0.154 176.609 176.870 -0.179 0.000 1.091 97 L CA 0.137 54.862 54.840 -0.192 0.000 0.828 97 L CB 0.557 42.527 42.059 -0.148 0.000 0.973 97 L HN 0.346 nan 8.230 nan 0.000 0.461 98 V N -1.009 118.805 119.914 -0.167 0.000 2.569 98 V HA 0.200 4.322 4.120 0.002 0.000 0.301 98 V C -1.055 174.987 176.094 -0.087 0.000 1.044 98 V CA -0.565 61.651 62.300 -0.140 0.000 0.874 98 V CB 1.749 33.461 31.823 -0.186 0.000 1.002 98 V HN 0.103 nan 8.190 nan 0.000 0.424 99 H N 4.114 123.071 119.070 -0.187 0.000 2.505 99 H HA 0.712 5.269 4.556 0.002 0.000 0.260 99 H C 0.735 176.008 175.328 -0.091 0.000 1.232 99 H CA 0.434 56.389 56.048 -0.155 0.000 0.991 99 H CB 0.193 29.847 29.762 -0.179 0.000 1.729 99 H HN 1.035 nan 8.280 nan 0.000 0.561 100 A N 0.322 123.048 122.820 -0.156 0.000 5.395 100 A HA -0.454 3.867 4.320 0.002 0.000 0.324 100 A C 1.988 179.509 177.584 -0.104 0.000 1.813 100 A CA 1.945 53.900 52.037 -0.137 0.000 0.714 100 A CB -1.317 17.590 19.000 -0.156 0.000 1.374 100 A HN 0.566 nan 8.150 nan 0.000 0.390 101 E N -0.469 119.652 120.200 -0.132 0.000 2.097 101 E HA -0.029 4.323 4.350 0.002 0.000 0.196 101 E C 2.142 178.627 176.600 -0.192 0.000 1.000 101 E CA 2.092 58.381 56.400 -0.185 0.000 0.804 101 E CB -0.718 28.735 29.700 -0.411 0.000 0.740 101 E HN 0.961 nan 8.360 nan 0.000 0.454 102 G N 0.289 108.982 108.800 -0.179 0.000 2.485 102 G HA2 -0.245 3.716 3.960 0.002 0.000 0.221 102 G HA3 -0.245 3.716 3.960 0.002 0.000 0.221 102 G C 0.897 175.792 174.900 -0.009 0.000 1.115 102 G CA 1.112 46.183 45.100 -0.048 0.000 0.751 102 G HN 0.172 nan 8.290 nan 0.000 0.567 103 D N -0.026 120.368 120.400 -0.010 0.000 2.462 103 D HA 0.223 4.865 4.640 0.002 0.000 0.221 103 D C 1.000 177.321 176.300 0.034 0.000 1.173 103 D CA -0.332 53.673 54.000 0.008 0.000 0.831 103 D CB 0.312 41.109 40.800 -0.006 0.000 1.001 103 D HN 0.189 nan 8.370 nan 0.000 0.499 104 L N 0.547 121.790 121.223 0.033 0.000 3.634 104 L HA -0.236 4.106 4.340 0.002 0.000 0.423 104 L C -0.300 176.651 176.870 0.135 0.000 1.253 104 L CA 0.389 55.282 54.840 0.089 0.000 0.885 104 L CB -1.241 40.889 42.059 0.118 0.000 1.789 104 L HN 0.200 nan 8.230 nan 0.000 0.904 105 L N -0.381 120.905 121.223 0.106 0.000 2.625 105 L HA 0.365 4.707 4.340 0.002 0.000 0.255 105 L C -2.133 174.844 176.870 0.178 0.000 1.493 105 L CA -1.471 53.477 54.840 0.180 0.000 0.796 105 L CB 0.877 42.984 42.059 0.080 0.000 1.064 105 L HN -0.104 nan 8.230 nan 0.000 0.516 106 P HA 0.072 nan 4.420 nan 0.000 0.265 106 P C 1.040 178.515 177.300 0.291 0.000 1.187 106 P CA 0.907 64.131 63.100 0.206 0.000 0.766 106 P CB 0.769 32.611 31.700 0.237 0.000 0.820 107 G N 0.863 109.763 108.800 0.167 0.000 2.159 107 G HA2 -0.219 3.742 3.960 0.002 0.000 0.256 107 G HA3 -0.219 3.742 3.960 0.002 0.000 0.256 107 G C -0.438 174.424 174.900 -0.063 0.000 0.977 107 G CA 0.039 45.236 45.100 0.161 0.000 0.652 107 G HN 0.599 nan 8.290 nan 0.000 0.531 108 L N 0.374 121.446 121.223 -0.252 0.000 2.436 108 L HA 0.837 5.179 4.340 0.002 0.000 0.268 108 L C -0.665 176.007 176.870 -0.330 0.000 0.974 108 L CA -1.076 53.432 54.840 -0.553 0.000 0.826 108 L CB 2.420 43.726 42.059 -1.254 0.000 1.291 108 L HN 0.152 nan 8.230 nan 0.000 0.406 109 V N 5.093 124.849 119.914 -0.264 0.000 2.709 109 V HA 0.743 4.865 4.120 0.002 0.000 0.308 109 V C -1.046 174.950 176.094 -0.163 0.000 1.062 109 V CA -0.623 61.577 62.300 -0.166 0.000 0.901 109 V CB 2.352 34.120 31.823 -0.090 0.000 1.003 109 V HN 0.499 nan 8.190 nan 0.000 0.425 110 V N 3.537 123.365 119.914 -0.144 0.000 2.569 110 V HA 0.539 4.660 4.120 0.002 0.000 0.301 110 V C -1.091 174.926 176.094 -0.128 0.000 1.044 110 V CA -0.667 61.555 62.300 -0.129 0.000 0.874 110 V CB 2.077 33.818 31.823 -0.137 0.000 1.002 110 V HN 0.856 nan 8.190 nan 0.000 0.424 111 D N 2.328 122.640 120.400 -0.146 0.000 2.342 111 D HA 0.425 5.066 4.640 0.002 0.000 0.243 111 D C -1.455 174.618 176.300 -0.379 0.000 1.019 111 D CA -0.263 53.568 54.000 -0.281 0.000 0.864 111 D CB 3.083 43.676 40.800 -0.344 0.000 1.315 111 D HN 0.547 nan 8.370 nan 0.000 0.468 112 Y N 1.621 121.583 120.300 -0.563 0.000 2.341 112 Y HA 0.352 4.904 4.550 0.003 0.000 0.338 112 Y C -1.586 174.020 175.900 -0.489 0.000 0.965 112 Y CA -0.746 57.118 58.100 -0.393 0.000 1.108 112 Y CB 0.787 39.168 38.460 -0.132 0.000 1.180 112 Y HN 0.215 nan 8.280 nan 0.000 0.458 113 Y N 4.828 124.986 120.300 -0.236 0.000 2.646 113 Y HA 0.526 5.078 4.550 0.002 0.000 0.334 113 Y C 0.478 176.181 175.900 -0.328 0.000 1.004 113 Y CA -1.124 56.881 58.100 -0.158 0.000 1.301 113 Y CB 1.254 39.680 38.460 -0.058 0.000 1.093 113 Y HN 0.886 nan 8.280 nan 0.000 0.530 114 A N 1.948 124.651 122.820 -0.194 0.000 2.640 114 A HA 0.016 4.338 4.320 0.002 0.000 0.300 114 A C 1.693 179.023 177.584 -0.423 0.000 1.499 114 A CA 1.642 53.588 52.037 -0.153 0.000 0.759 114 A CB -1.785 17.205 19.000 -0.018 0.000 1.048 114 A HN 2.041 nan 8.150 nan 0.000 0.450 115 G N -1.970 106.188 108.800 -1.070 0.000 2.194 115 G HA2 -0.201 3.761 3.960 0.002 0.000 0.236 115 G HA3 -0.201 3.761 3.960 0.002 0.000 0.236 115 G C -0.108 174.281 174.900 -0.852 0.000 0.987 115 G CA 0.463 45.080 45.100 -0.804 0.000 0.635 115 G HN 1.600 nan 8.290 nan 0.000 0.520 116 H N 0.778 119.596 119.070 -0.421 0.000 2.551 116 H HA 0.689 5.246 4.556 0.002 0.000 0.321 116 H C 0.396 175.627 175.328 -0.162 0.000 1.028 116 H CA 0.199 56.142 56.048 -0.176 0.000 1.215 116 H CB 1.427 31.152 29.762 -0.062 0.000 1.414 116 H HN 0.559 nan 8.280 nan 0.000 0.480 117 A N 3.248 126.063 122.820 -0.008 0.000 2.303 117 A HA 0.571 4.892 4.320 0.002 0.000 0.317 117 A C -0.232 177.382 177.584 0.049 0.000 1.149 117 A CA -0.585 51.449 52.037 -0.005 0.000 0.822 117 A CB 0.889 19.908 19.000 0.033 0.000 1.131 117 A HN 0.435 nan 8.150 nan 0.000 0.493 118 V N 2.691 122.620 119.914 0.025 0.000 2.443 118 V HA 0.376 4.497 4.120 0.002 0.000 0.293 118 V C -0.443 175.653 176.094 0.003 0.000 1.021 118 V CA -0.500 61.838 62.300 0.063 0.000 0.848 118 V CB 1.431 33.356 31.823 0.170 0.000 0.998 118 V HN 0.657 nan 8.190 nan 0.000 0.424 119 V N 5.177 125.086 119.914 -0.009 0.000 2.472 119 V HA 0.491 4.612 4.120 0.002 0.000 0.290 119 V C -0.218 175.837 176.094 -0.066 0.000 1.037 119 V CA -0.483 61.782 62.300 -0.058 0.000 0.908 119 V CB 1.647 33.434 31.823 -0.059 0.000 0.985 119 V HN 0.927 nan 8.190 nan 0.000 0.454 120 Q N 3.073 122.811 119.800 -0.104 0.000 2.320 120 Q HA 0.688 5.030 4.340 0.002 0.000 0.268 120 Q C -0.665 175.249 176.000 -0.143 0.000 1.023 120 Q CA -0.411 55.330 55.803 -0.103 0.000 0.744 120 Q CB 2.297 30.991 28.738 -0.073 0.000 1.246 120 Q HN 0.877 nan 8.270 nan 0.000 0.462 121 A N 1.382 124.127 122.820 -0.125 0.000 2.288 121 A HA 0.571 4.892 4.320 0.002 0.000 0.320 121 A C 0.559 178.122 177.584 -0.035 0.000 1.217 121 A CA -0.460 51.518 52.037 -0.098 0.000 0.840 121 A CB 0.513 19.497 19.000 -0.026 0.000 1.179 121 A HN 0.732 nan 8.150 nan 0.000 0.504 122 T N -1.224 113.336 114.554 0.010 0.000 3.170 122 T HA 0.579 4.930 4.350 0.002 0.000 0.288 122 T C 0.179 174.931 174.700 0.086 0.000 0.992 122 T CA 0.542 62.659 62.100 0.028 0.000 0.909 122 T CB 0.026 68.894 68.868 -0.001 0.000 1.133 122 T HN 1.368 nan 8.240 nan 0.000 0.530 123 A N 0.538 123.465 122.820 0.179 0.000 2.356 123 A HA 0.655 4.976 4.320 0.002 0.000 0.310 123 A C 0.648 178.330 177.584 0.163 0.000 1.075 123 A CA -0.604 51.548 52.037 0.191 0.000 0.746 123 A CB 0.913 20.072 19.000 0.266 0.000 1.221 123 A HN 0.396 nan 8.150 nan 0.000 0.443 124 H N 3.055 122.152 119.070 0.044 0.000 2.325 124 H HA -0.246 4.312 4.556 0.002 0.000 0.293 124 H C 2.013 177.332 175.328 -0.016 0.000 1.106 124 H CA 3.450 59.513 56.048 0.025 0.000 1.247 124 H CB 0.156 29.925 29.762 0.012 0.000 1.359 124 H HN 0.760 nan 8.280 nan 0.000 0.488 125 A N -0.156 122.571 122.820 -0.154 0.000 1.986 125 A HA -0.204 4.118 4.320 0.002 0.000 0.220 125 A C 2.252 179.603 177.584 -0.389 0.000 1.171 125 A CA 1.607 53.442 52.037 -0.337 0.000 0.640 125 A CB -1.348 17.390 19.000 -0.438 0.000 0.811 125 A HN 0.742 nan 8.150 nan 0.000 0.451 126 W N -0.544 120.672 121.300 -0.140 0.000 2.402 126 W HA -0.025 4.636 4.660 0.002 0.000 0.286 126 W C 2.195 178.651 176.519 -0.106 0.000 1.221 126 W CA 0.768 58.045 57.345 -0.113 0.000 1.257 126 W CB -0.014 29.394 29.460 -0.086 0.000 1.120 126 W HN 0.409 nan 8.180 nan 0.000 0.551 127 E N 0.348 120.583 120.200 0.059 0.000 2.048 127 E HA -0.205 4.146 4.350 0.002 0.000 0.202 127 E C 2.360 178.970 176.600 0.017 0.000 1.021 127 E CA 2.171 58.586 56.400 0.025 0.000 0.825 127 E CB -1.033 28.622 29.700 -0.075 0.000 0.756 127 E HN 0.126 nan 8.360 nan 0.000 0.454 128 G N -0.693 108.070 108.800 -0.062 0.000 2.679 128 G HA2 -0.067 3.894 3.960 0.002 0.000 0.212 128 G HA3 -0.067 3.894 3.960 0.002 0.000 0.212 128 G C 1.157 176.057 174.900 -0.001 0.000 1.137 128 G CA 0.406 45.484 45.100 -0.036 0.000 0.787 128 G HN 0.285 nan 8.290 nan 0.000 0.534 129 L N -0.122 121.126 121.223 0.042 0.000 2.640 129 L HA 0.318 4.659 4.340 0.002 0.000 0.230 129 L C 2.273 179.236 176.870 0.156 0.000 1.123 129 L CA -0.214 54.684 54.840 0.096 0.000 0.900 129 L CB 0.039 42.164 42.059 0.109 0.000 1.146 129 L HN 0.122 nan 8.230 nan 0.000 0.484 130 L N 0.714 122.021 121.223 0.140 0.000 2.043 130 L HA -0.191 4.151 4.340 0.002 0.000 0.212 130 L C -0.216 176.700 176.870 0.077 0.000 1.075 130 L CA 1.765 56.672 54.840 0.112 0.000 0.752 130 L CB -1.633 40.490 42.059 0.108 0.000 0.891 130 L HN 0.250 nan 8.230 nan 0.000 0.432 131 P HA -0.172 nan 4.420 nan 0.000 0.217 131 P C 1.427 178.754 177.300 0.045 0.000 1.150 131 P CA 1.128 64.254 63.100 0.042 0.000 0.832 131 P CB 0.084 31.801 31.700 0.029 0.000 0.787 132 Q N -0.991 118.844 119.800 0.059 0.000 2.119 132 Q HA -0.087 4.254 4.340 0.002 0.000 0.201 132 Q C 2.071 178.114 176.000 0.071 0.000 0.972 132 Q CA 1.169 57.009 55.803 0.062 0.000 0.847 132 Q CB -1.201 27.581 28.738 0.073 0.000 0.903 132 Q HN 0.084 nan 8.270 nan 0.000 0.433 133 V N 0.502 120.467 119.914 0.085 0.000 2.307 133 V HA -0.271 3.851 4.120 0.002 0.000 0.245 133 V C 2.157 178.270 176.094 0.032 0.000 1.045 133 V CA 1.746 64.077 62.300 0.051 0.000 1.024 133 V CB -1.142 30.686 31.823 0.009 0.000 0.651 133 V HN 0.430 nan 8.190 nan 0.000 0.449 134 A N -0.276 122.565 122.820 0.035 0.000 1.883 134 A HA -0.224 4.098 4.320 0.002 0.000 0.217 134 A C 2.178 179.780 177.584 0.029 0.000 1.186 134 A CA 1.794 53.850 52.037 0.032 0.000 0.624 134 A CB -0.462 18.558 19.000 0.032 0.000 0.822 134 A HN 0.519 nan 8.150 nan 0.000 0.444 135 E N -0.084 120.132 120.200 0.027 0.000 2.153 135 E HA -0.102 4.250 4.350 0.002 0.000 0.194 135 E C 2.262 178.872 176.600 0.017 0.000 0.988 135 E CA 1.190 57.600 56.400 0.017 0.000 0.811 135 E CB -0.627 29.083 29.700 0.016 0.000 0.746 135 E HN 0.598 nan 8.360 nan 0.000 0.466 136 A N 0.805 123.646 122.820 0.035 0.000 1.969 136 A HA -0.080 4.242 4.320 0.002 0.000 0.218 136 A C 2.310 179.944 177.584 0.084 0.000 1.169 136 A CA 0.843 52.911 52.037 0.051 0.000 0.635 136 A CB -0.472 18.564 19.000 0.061 0.000 0.810 136 A HN 0.178 nan 8.150 nan 0.000 0.445 137 L N -1.413 119.859 121.223 0.082 0.000 2.179 137 L HA -0.051 4.291 4.340 0.002 0.000 0.208 137 L C 2.566 179.482 176.870 0.077 0.000 1.096 137 L CA 0.968 55.889 54.840 0.135 0.000 0.779 137 L CB -0.466 41.648 42.059 0.091 0.000 0.922 137 L HN 0.452 nan 8.230 nan 0.000 0.443 138 R N 1.063 121.572 120.500 0.014 0.000 2.159 138 R HA -0.222 4.119 4.340 0.002 0.000 0.249 138 R C -0.491 175.760 176.300 -0.082 0.000 1.136 138 R CA 2.536 58.623 56.100 -0.022 0.000 0.951 138 R CB -1.413 28.872 30.300 -0.025 0.000 0.876 138 R HN 0.262 nan 8.270 nan 0.000 0.440 139 P HA -0.137 nan 4.420 nan 0.000 0.225 139 P C 0.122 177.216 177.300 -0.345 0.000 1.148 139 P CA 1.497 64.409 63.100 -0.314 0.000 0.779 139 P CB -0.088 31.349 31.700 -0.439 0.000 0.780 140 H N -0.985 118.097 119.070 0.020 0.000 2.648 140 H HA 0.205 4.763 4.556 0.003 0.000 0.265 140 H C 1.184 176.589 175.328 0.128 0.000 0.961 140 H CA 0.227 56.302 56.048 0.045 0.000 1.185 140 H CB 0.640 30.408 29.762 0.011 0.000 1.449 140 H HN 0.103 nan 8.280 nan 0.000 0.523 141 V N -1.785 118.220 119.914 0.152 0.000 3.158 141 V HA 0.325 4.447 4.120 0.002 0.000 0.311 141 V C 0.580 176.664 176.094 -0.017 0.000 1.181 141 V CA -0.844 61.504 62.300 0.080 0.000 1.054 141 V CB 2.839 34.704 31.823 0.070 0.000 1.085 141 V HN -0.073 nan 8.190 nan 0.000 0.446 142 Q N 0.929 120.660 119.800 -0.116 0.000 2.324 142 Q HA 0.323 4.664 4.340 0.002 0.000 0.207 142 Q C 0.689 176.688 176.000 -0.002 0.000 0.928 142 Q CA 1.010 56.757 55.803 -0.093 0.000 0.890 142 Q CB 0.796 29.407 28.738 -0.212 0.000 1.001 142 Q HN 1.021 nan 8.270 nan 0.000 0.517 143 S N -1.053 114.665 115.700 0.028 0.000 2.607 143 S HA 0.686 5.158 4.470 0.002 0.000 0.273 143 S C -1.019 173.636 174.600 0.091 0.000 1.148 143 S CA -0.870 57.396 58.200 0.111 0.000 0.833 143 S CB 2.169 65.502 63.200 0.222 0.000 1.130 143 S HN -0.083 nan 8.310 nan 0.000 0.470 144 V N 1.654 121.615 119.914 0.077 0.000 2.623 144 V HA 0.634 4.755 4.120 0.002 0.000 0.304 144 V C -1.254 174.879 176.094 0.065 0.000 1.054 144 V CA -0.600 61.739 62.300 0.064 0.000 0.882 144 V CB 1.479 33.331 31.823 0.048 0.000 1.002 144 V HN 0.947 nan 8.190 nan 0.000 0.424 145 L N 4.323 125.586 121.223 0.067 0.000 2.322 145 L HA 0.913 5.255 4.340 0.002 0.000 0.281 145 L C 0.322 177.231 176.870 0.065 0.000 1.014 145 L CA -0.221 54.659 54.840 0.067 0.000 0.815 145 L CB 1.585 43.683 42.059 0.065 0.000 1.247 145 L HN 0.780 nan 8.230 nan 0.000 0.421 146 A N 5.076 127.951 122.820 0.091 0.000 2.478 146 A HA 0.313 4.634 4.320 0.002 0.000 0.327 146 A C 0.056 177.676 177.584 0.060 0.000 1.431 146 A CA -0.472 51.625 52.037 0.100 0.000 1.014 146 A CB -0.323 18.818 19.000 0.235 0.000 1.143 146 A HN 0.692 nan 8.150 nan 0.000 0.532 147 K N 3.185 123.584 120.400 -0.002 0.000 2.229 147 K HA 0.140 4.461 4.320 0.002 0.000 0.247 147 K C -0.631 175.899 176.600 -0.117 0.000 1.117 147 K CA -0.261 56.007 56.287 -0.033 0.000 1.036 147 K CB -0.072 32.424 32.500 -0.006 0.000 1.654 147 K HN 0.605 nan 8.250 nan 0.000 0.405 148 N N 3.184 121.730 118.700 -0.256 0.000 2.761 148 N HA 0.010 4.752 4.740 0.002 0.000 0.317 148 N C -0.837 174.457 175.510 -0.359 0.000 1.546 148 N CA -0.073 52.736 53.050 -0.402 0.000 1.015 148 N CB 0.987 39.001 38.487 -0.788 0.000 1.343 148 N HN 0.573 nan 8.380 nan 0.000 0.504 149 D N -1.430 118.861 120.400 -0.181 0.000 2.402 149 D HA 0.103 4.744 4.640 0.002 0.000 0.216 149 D C 0.397 176.655 176.300 -0.069 0.000 1.128 149 D CA -0.411 53.524 54.000 -0.109 0.000 0.833 149 D CB -0.077 40.691 40.800 -0.054 0.000 0.971 149 D HN 0.061 nan 8.370 nan 0.000 0.503 150 A N 1.073 123.848 122.820 -0.076 0.000 2.451 150 A HA 0.183 4.504 4.320 0.002 0.000 0.266 150 A C 1.379 178.942 177.584 -0.035 0.000 1.119 150 A CA -0.454 51.556 52.037 -0.046 0.000 0.786 150 A CB 0.240 19.213 19.000 -0.045 0.000 1.061 150 A HN 0.122 nan 8.150 nan 0.000 0.503 151 R N 1.392 121.880 120.500 -0.020 0.000 2.153 151 R HA -0.213 4.129 4.340 0.002 0.000 0.252 151 R C 2.255 178.549 176.300 -0.009 0.000 1.158 151 R CA 2.091 58.184 56.100 -0.011 0.000 0.975 151 R CB -0.938 29.359 30.300 -0.004 0.000 0.871 151 R HN 0.974 nan 8.270 nan 0.000 0.450 152 T N -0.739 113.808 114.554 -0.012 0.000 2.721 152 T HA -0.219 4.133 4.350 0.002 0.000 0.268 152 T C 1.801 176.501 174.700 0.001 0.000 1.038 152 T CA 1.426 63.521 62.100 -0.008 0.000 1.145 152 T CB -0.308 68.551 68.868 -0.015 0.000 0.858 152 T HN 0.331 nan 8.240 nan 0.000 0.459 153 R N 1.226 121.723 120.500 -0.005 0.000 2.159 153 R HA -0.057 4.285 4.340 0.002 0.000 0.237 153 R C 2.674 178.992 176.300 0.029 0.000 1.131 153 R CA 1.662 57.768 56.100 0.009 0.000 0.982 153 R CB -0.306 29.979 30.300 -0.025 0.000 0.868 153 R HN 0.673 nan 8.270 nan 0.000 0.453 154 E N 0.477 120.687 120.200 0.017 0.000 2.058 154 E HA -0.204 4.147 4.350 0.002 0.000 0.194 154 E C 1.543 178.158 176.600 0.025 0.000 0.997 154 E CA 0.931 57.344 56.400 0.021 0.000 0.801 154 E CB -0.098 29.607 29.700 0.008 0.000 0.746 154 E HN 0.093 nan 8.360 nan 0.000 0.450 155 L N 1.182 122.419 121.223 0.023 0.000 2.622 155 L HA -0.057 4.285 4.340 0.002 0.000 0.233 155 L C 1.408 178.326 176.870 0.080 0.000 1.156 155 L CA 1.241 56.101 54.840 0.033 0.000 0.866 155 L CB -0.003 42.072 42.059 0.028 0.000 0.980 155 L HN -0.025 nan 8.230 nan 0.000 0.448 156 E N -0.415 119.831 120.200 0.077 0.000 2.474 156 E HA 0.216 4.568 4.350 0.002 0.000 0.195 156 E C 1.204 177.891 176.600 0.146 0.000 1.039 156 E CA 0.630 57.095 56.400 0.108 0.000 0.881 156 E CB 0.109 29.884 29.700 0.124 0.000 0.970 156 E HN 0.342 nan 8.360 nan 0.000 0.486 157 G N 1.641 110.507 108.800 0.109 0.000 2.212 157 G HA2 -0.262 3.699 3.960 0.002 0.000 0.255 157 G HA3 -0.262 3.699 3.960 0.002 0.000 0.255 157 G C -0.062 174.941 174.900 0.173 0.000 1.062 157 G CA 0.226 45.392 45.100 0.111 0.000 0.815 157 G HN 0.169 nan 8.290 nan 0.000 0.497 158 L N 0.614 121.918 121.223 0.135 0.000 2.386 158 L HA 0.561 4.903 4.340 0.002 0.000 0.271 158 L C -1.824 175.102 176.870 0.093 0.000 0.993 158 L CA -2.428 52.489 54.840 0.127 0.000 0.819 158 L CB 2.649 44.774 42.059 0.110 0.000 1.294 158 L HN -0.019 nan 8.230 nan 0.000 0.414 159 P HA 0.202 nan 4.420 nan 0.000 0.274 159 P C -1.117 176.243 177.300 0.099 0.000 1.246 159 P CA -0.339 62.843 63.100 0.138 0.000 0.795 159 P CB 1.135 32.953 31.700 0.198 0.000 1.006 160 L N 2.555 123.825 121.223 0.078 0.000 2.295 160 L HA 0.515 4.857 4.340 0.002 0.000 0.285 160 L C -0.142 176.784 176.870 0.094 0.000 1.035 160 L CA -0.646 54.186 54.840 -0.014 0.000 0.806 160 L CB 0.487 42.544 42.059 -0.004 0.000 1.214 160 L HN 0.563 nan 8.230 nan 0.000 0.426 161 Y N 1.085 121.393 120.300 0.014 0.000 2.732 161 Y HA 0.641 5.193 4.550 0.003 0.000 0.342 161 Y C -1.698 174.208 175.900 0.010 0.000 1.203 161 Y CA -1.401 56.706 58.100 0.012 0.000 1.092 161 Y CB 1.087 39.554 38.460 0.012 0.000 1.345 161 Y HN 0.076 nan 8.280 nan 0.000 0.458 162 V N 3.297 123.380 119.914 0.283 0.000 2.447 162 V HA 0.795 4.917 4.120 0.002 0.000 0.292 162 V C -0.800 175.421 176.094 0.211 0.000 1.021 162 V CA -0.601 61.810 62.300 0.186 0.000 0.850 162 V CB 1.359 33.228 31.823 0.078 0.000 1.005 162 V HN 0.936 nan 8.190 nan 0.000 0.426 163 R N 3.845 124.486 120.500 0.236 0.000 2.663 163 R HA 0.696 5.038 4.340 0.002 0.000 0.267 163 R C -3.396 172.964 176.300 0.100 0.000 1.038 163 R CA -1.970 54.204 56.100 0.125 0.000 0.886 163 R CB 1.676 32.008 30.300 0.053 0.000 1.249 163 R HN 0.303 nan 8.270 nan 0.000 0.463 164 P HA 0.077 nan 4.420 nan 0.000 0.269 164 P C -0.191 177.135 177.300 0.044 0.000 1.209 164 P CA -0.264 62.864 63.100 0.047 0.000 0.776 164 P CB 0.641 32.358 31.700 0.029 0.000 0.876 165 L N 1.722 122.974 121.223 0.049 0.000 2.609 165 L HA 0.361 4.703 4.340 0.002 0.000 0.230 165 L C 0.585 177.474 176.870 0.032 0.000 1.064 165 L CA 0.268 55.134 54.840 0.043 0.000 0.873 165 L CB 0.346 42.437 42.059 0.054 0.000 1.139 165 L HN 0.281 nan 8.230 nan 0.000 0.490 166 L N -0.454 120.791 121.223 0.036 0.000 2.526 166 L HA 0.624 4.965 4.340 0.002 0.000 0.263 166 L C -0.013 176.880 176.870 0.038 0.000 0.943 166 L CA -0.166 54.693 54.840 0.031 0.000 0.859 166 L CB 1.634 43.712 42.059 0.031 0.000 1.313 166 L HN 0.183 nan 8.230 nan 0.000 0.406 167 G N 3.377 112.196 108.800 0.031 0.000 2.692 167 G HA2 -0.297 3.664 3.960 0.002 0.000 0.248 167 G HA3 -0.297 3.664 3.960 0.002 0.000 0.248 167 G C -0.572 174.351 174.900 0.038 0.000 1.340 167 G CA 0.389 45.511 45.100 0.036 0.000 0.896 167 G HN 0.965 nan 8.290 nan 0.000 0.570 168 E N -0.782 119.445 120.200 0.044 0.000 2.115 168 E HA 0.535 4.887 4.350 0.002 0.000 0.282 168 E C 0.161 176.777 176.600 0.026 0.000 0.987 168 E CA -0.545 55.872 56.400 0.029 0.000 0.797 168 E CB 1.256 30.968 29.700 0.020 0.000 1.086 168 E HN 0.692 nan 8.360 nan 0.000 0.397 169 V N 8.222 128.137 119.914 0.002 0.000 2.432 169 V HA 0.315 4.437 4.120 0.002 0.000 0.271 169 V C -1.611 174.418 176.094 -0.108 0.000 1.046 169 V CA -1.249 61.027 62.300 -0.040 0.000 0.945 169 V CB 0.694 32.511 31.823 -0.009 0.000 0.992 169 V HN 0.754 nan 8.190 nan 0.000 0.471 170 P HA 0.326 nan 4.420 nan 0.000 0.276 170 P C 0.373 177.574 177.300 -0.166 0.000 1.252 170 P CA -0.447 62.523 63.100 -0.216 0.000 0.802 170 P CB 1.656 33.147 31.700 -0.349 0.000 1.035 171 E N 0.154 120.285 120.200 -0.116 0.000 2.076 171 E HA -0.037 4.314 4.350 0.002 0.000 0.190 171 E C 0.345 176.884 176.600 -0.102 0.000 0.979 171 E CA 0.813 57.160 56.400 -0.088 0.000 0.807 171 E CB 0.132 29.796 29.700 -0.061 0.000 0.761 171 E HN 0.314 nan 8.360 nan 0.000 0.454 172 R N 0.304 120.738 120.500 -0.111 0.000 2.807 172 R HA 0.555 4.896 4.340 0.002 0.000 0.276 172 R C -0.891 175.334 176.300 -0.125 0.000 0.979 172 R CA -0.866 55.171 56.100 -0.106 0.000 0.928 172 R CB 2.072 32.329 30.300 -0.072 0.000 1.191 172 R HN -0.155 nan 8.270 nan 0.000 0.471 173 V N 1.897 121.741 119.914 -0.116 0.000 2.733 173 V HA 0.308 4.429 4.120 0.002 0.000 0.306 173 V C -0.402 175.632 176.094 -0.099 0.000 1.084 173 V CA -0.882 61.365 62.300 -0.088 0.000 0.905 173 V CB 2.312 34.109 31.823 -0.044 0.000 1.010 173 V HN 0.551 nan 8.190 nan 0.000 0.424 174 Q N 2.404 122.155 119.800 -0.082 0.000 2.279 174 Q HA 0.591 4.932 4.340 0.002 0.000 0.256 174 Q C -0.992 174.902 176.000 -0.176 0.000 0.937 174 Q CA -0.280 55.447 55.803 -0.126 0.000 0.933 174 Q CB 2.035 30.729 28.738 -0.074 0.000 1.189 174 Q HN 0.606 nan 8.270 nan 0.000 0.417 175 V N 3.037 122.725 119.914 -0.376 0.000 2.513 175 V HA 0.199 4.320 4.120 0.002 0.000 0.299 175 V C -0.350 175.531 176.094 -0.355 0.000 1.035 175 V CA -0.808 61.237 62.300 -0.426 0.000 0.889 175 V CB 1.788 33.145 31.823 -0.776 0.000 0.988 175 V HN 0.678 nan 8.190 nan 0.000 0.440 176 Q N 3.112 122.834 119.800 -0.130 0.000 2.256 176 Q HA 0.421 4.763 4.340 0.002 0.000 0.254 176 Q C -0.491 175.536 176.000 0.044 0.000 0.916 176 Q CA 0.113 55.900 55.803 -0.026 0.000 0.932 176 Q CB 1.140 29.892 28.738 0.023 0.000 1.207 176 Q HN 0.804 nan 8.270 nan 0.000 0.426 177 E N 3.685 123.958 120.200 0.121 0.000 2.580 177 E HA 0.453 4.804 4.350 0.002 0.000 0.248 177 E C -0.035 176.712 176.600 0.245 0.000 1.018 177 E CA 0.141 56.667 56.400 0.210 0.000 0.775 177 E CB -0.067 29.860 29.700 0.379 0.000 1.378 177 E HN 0.915 nan 8.360 nan 0.000 0.401 178 G N 4.191 113.094 108.800 0.173 0.000 2.565 178 G HA2 -0.392 3.570 3.960 0.002 0.000 0.295 178 G HA3 -0.392 3.570 3.960 0.002 0.000 0.295 178 G C 0.681 175.659 174.900 0.130 0.000 1.165 178 G CA 0.308 45.507 45.100 0.163 0.000 0.977 178 G HN 0.588 nan 8.290 nan 0.000 0.546 179 R N 0.419 121.003 120.500 0.139 0.000 2.310 179 R HA 0.371 4.712 4.340 0.002 0.000 0.202 179 R C 0.844 177.160 176.300 0.028 0.000 0.933 179 R CA 0.900 57.045 56.100 0.075 0.000 1.054 179 R CB 0.114 30.459 30.300 0.075 0.000 0.985 179 R HN 0.859 nan 8.270 nan 0.000 0.489 180 V N -2.752 117.166 119.914 0.007 0.000 3.141 180 V HA 0.609 4.731 4.120 0.002 0.000 0.312 180 V C -0.736 175.371 176.094 0.021 0.000 1.157 180 V CA -1.360 60.916 62.300 -0.040 0.000 1.041 180 V CB 2.459 34.166 31.823 -0.193 0.000 1.071 180 V HN -0.047 nan 8.190 nan 0.000 0.441 181 R N 0.602 121.117 120.500 0.024 0.000 2.854 181 R HA 0.786 5.128 4.340 0.002 0.000 0.271 181 R C -1.756 174.597 176.300 0.088 0.000 0.994 181 R CA -0.580 55.526 56.100 0.011 0.000 0.945 181 R CB 2.298 32.580 30.300 -0.029 0.000 1.194 181 R HN 0.963 nan 8.270 nan 0.000 0.476 182 Y N -0.937 119.358 120.300 -0.007 0.000 2.588 182 Y HA 0.635 5.187 4.550 0.002 0.000 0.343 182 Y C -1.581 174.310 175.900 -0.015 0.000 1.065 182 Y CA -1.518 56.576 58.100 -0.009 0.000 1.038 182 Y CB 1.116 39.576 38.460 0.001 0.000 1.297 182 Y HN 0.362 nan 8.280 nan 0.000 0.467 183 L N 3.132 124.434 121.223 0.132 0.000 2.265 183 L HA 0.629 4.971 4.340 0.002 0.000 0.289 183 L C -0.897 176.001 176.870 0.047 0.000 1.033 183 L CA -0.589 54.265 54.840 0.022 0.000 0.814 183 L CB 1.158 43.223 42.059 0.010 0.000 1.203 183 L HN 0.705 nan 8.230 nan 0.000 0.423 184 V N 3.941 123.821 119.914 -0.056 0.000 2.567 184 V HA 0.314 4.435 4.120 0.002 0.000 0.289 184 V C -0.249 175.754 176.094 -0.152 0.000 1.049 184 V CA -0.588 61.629 62.300 -0.139 0.000 0.969 184 V CB 1.628 33.233 31.823 -0.363 0.000 0.995 184 V HN 0.640 nan 8.190 nan 0.000 0.471 185 D N 3.501 123.811 120.400 -0.151 0.000 2.441 185 D HA 0.324 4.965 4.640 0.002 0.000 0.231 185 D C 0.508 176.730 176.300 -0.131 0.000 1.073 185 D CA -0.288 53.645 54.000 -0.113 0.000 0.850 185 D CB 1.632 42.392 40.800 -0.067 0.000 1.062 185 D HN 0.413 nan 8.370 nan 0.000 0.524 186 L N 2.736 123.886 121.223 -0.122 0.000 2.599 186 L HA 0.161 4.502 4.340 0.002 0.000 0.230 186 L C 1.209 178.049 176.870 -0.050 0.000 1.141 186 L CA 0.168 54.955 54.840 -0.089 0.000 0.877 186 L CB -0.036 41.977 42.059 -0.076 0.000 1.009 186 L HN 0.047 nan 8.230 nan 0.000 0.447 187 R N 0.149 120.620 120.500 -0.048 0.000 2.491 187 R HA 0.179 4.520 4.340 0.002 0.000 0.283 187 R C 1.483 177.773 176.300 -0.016 0.000 1.072 187 R CA 0.265 56.349 56.100 -0.027 0.000 1.048 187 R CB 0.910 31.195 30.300 -0.025 0.000 0.983 187 R HN 0.073 nan 8.270 nan 0.000 0.450 188 A N 3.266 126.083 122.820 -0.004 0.000 1.896 188 A HA -0.205 4.117 4.320 0.002 0.000 0.220 188 A C 1.955 179.541 177.584 0.003 0.000 1.206 188 A CA 2.161 54.200 52.037 0.003 0.000 0.647 188 A CB -0.939 18.068 19.000 0.012 0.000 0.828 188 A HN 0.893 nan 8.150 nan 0.000 0.455 189 G N -1.898 106.904 108.800 0.004 0.000 2.985 189 G HA2 0.290 4.252 3.960 0.002 0.000 0.209 189 G HA3 0.290 4.252 3.960 0.002 0.000 0.209 189 G C 0.555 175.461 174.900 0.009 0.000 1.165 189 G CA -0.037 45.069 45.100 0.009 0.000 0.776 189 G HN 0.445 nan 8.290 nan 0.000 0.541 190 Q N 0.284 120.084 119.800 0.001 0.000 2.248 190 Q HA 0.347 4.689 4.340 0.002 0.000 0.263 190 Q C -0.384 175.617 176.000 0.002 0.000 1.007 190 Q CA -0.484 55.320 55.803 0.001 0.000 0.877 190 Q CB 1.719 30.450 28.738 -0.012 0.000 1.315 190 Q HN 0.147 nan 8.270 nan 0.000 0.454 191 K N 0.940 121.351 120.400 0.019 0.000 2.379 191 K HA 0.106 4.428 4.320 0.002 0.000 0.284 191 K C 0.957 177.539 176.600 -0.029 0.000 1.044 191 K CA 0.071 56.378 56.287 0.033 0.000 0.974 191 K CB 0.570 33.133 32.500 0.107 0.000 0.962 191 K HN 0.520 nan 8.250 nan 0.000 0.474 192 T N 1.709 116.210 114.554 -0.089 0.000 2.684 192 T HA -0.134 4.218 4.350 0.002 0.000 0.267 192 T C 1.266 175.844 174.700 -0.204 0.000 1.036 192 T CA 1.557 63.545 62.100 -0.186 0.000 1.148 192 T CB -0.346 68.386 68.868 -0.226 0.000 0.863 192 T HN 1.005 nan 8.240 nan 0.000 0.436 193 G N 0.554 109.202 108.800 -0.252 0.000 2.221 193 G HA2 -0.106 3.855 3.960 0.002 0.000 0.265 193 G HA3 -0.106 3.855 3.960 0.002 0.000 0.265 193 G C 0.662 175.439 174.900 -0.205 0.000 1.041 193 G CA 0.498 45.501 45.100 -0.162 0.000 0.807 193 G HN 0.785 nan 8.290 nan 0.000 0.502 194 A N -0.829 121.746 122.820 -0.408 0.000 1.963 194 A HA 0.578 4.899 4.320 0.002 0.000 0.207 194 A C 1.207 178.707 177.584 -0.140 0.000 1.243 194 A CA 1.158 53.115 52.037 -0.133 0.000 0.728 194 A CB -0.003 19.078 19.000 0.136 0.000 0.895 194 A HN 1.475 nan 8.150 nan 0.000 0.467 195 Y N -0.072 120.239 120.300 0.019 0.000 3.001 195 Y HA -0.222 4.330 4.550 0.002 0.000 0.199 195 Y C 0.976 176.843 175.900 -0.055 0.000 1.320 195 Y CA 0.277 58.370 58.100 -0.013 0.000 0.974 195 Y CB -2.223 36.211 38.460 -0.043 0.000 1.291 195 Y HN 0.325 nan 8.280 nan 0.000 0.465 196 L N 0.155 121.427 121.223 0.083 0.000 2.187 196 L HA -0.227 4.114 4.340 0.002 0.000 0.213 196 L C 2.192 178.961 176.870 -0.170 0.000 1.100 196 L CA 1.660 56.527 54.840 0.046 0.000 0.765 196 L CB -0.372 41.805 42.059 0.197 0.000 0.904 196 L HN 0.533 nan 8.230 nan 0.000 0.437 197 D N -1.057 119.127 120.400 -0.360 0.000 2.309 197 D HA -0.214 4.427 4.640 0.002 0.000 0.212 197 D C 1.777 177.871 176.300 -0.342 0.000 0.968 197 D CA 0.911 54.499 54.000 -0.687 0.000 0.882 197 D CB -0.235 40.298 40.800 -0.445 0.000 0.918 197 D HN 0.301 nan 8.370 nan 0.000 0.503 198 Q N -0.382 119.290 119.800 -0.213 0.000 2.282 198 Q HA 0.139 4.480 4.340 0.002 0.000 0.206 198 Q C 1.760 177.565 176.000 -0.324 0.000 0.878 198 Q CA -0.216 55.442 55.803 -0.242 0.000 0.944 198 Q CB 0.529 29.172 28.738 -0.158 0.000 1.100 198 Q HN 0.430 nan 8.270 nan 0.000 0.509 199 R N 1.325 121.683 120.500 -0.236 0.000 2.115 199 R HA -0.192 4.149 4.340 0.002 0.000 0.239 199 R C 1.332 177.508 176.300 -0.206 0.000 1.133 199 R CA 1.627 57.608 56.100 -0.198 0.000 0.935 199 R CB 0.277 30.506 30.300 -0.120 0.000 0.853 199 R HN 0.091 nan 8.270 nan 0.000 0.433 200 E N 0.216 120.327 120.200 -0.147 0.000 2.150 200 E HA -0.118 4.234 4.350 0.002 0.000 0.193 200 E C 1.669 178.185 176.600 -0.140 0.000 0.985 200 E CA 0.758 57.103 56.400 -0.091 0.000 0.814 200 E CB -0.297 29.395 29.700 -0.014 0.000 0.752 200 E HN 0.452 nan 8.360 nan 0.000 0.466 201 N N 0.871 119.391 118.700 -0.300 0.000 2.270 201 N HA -0.057 4.685 4.740 0.002 0.000 0.181 201 N C 1.779 177.147 175.510 -0.236 0.000 1.016 201 N CA 0.530 53.303 53.050 -0.461 0.000 0.870 201 N CB -0.132 37.654 38.487 -1.168 0.000 0.979 201 N HN 0.185 nan 8.380 nan 0.000 0.431 202 R N 0.577 120.790 120.500 -0.479 0.000 2.073 202 R HA 0.094 4.436 4.340 0.002 0.000 0.229 202 R C 2.212 178.164 176.300 -0.579 0.000 1.120 202 R CA 0.596 56.306 56.100 -0.650 0.000 0.967 202 R CB -0.345 29.453 30.300 -0.835 0.000 0.862 202 R HN 0.179 nan 8.270 nan 0.000 0.436 203 L N -0.221 120.700 121.223 -0.503 0.000 2.131 203 L HA -0.141 4.200 4.340 0.002 0.000 0.210 203 L C 1.455 178.270 176.870 -0.092 0.000 1.092 203 L CA 0.659 55.281 54.840 -0.364 0.000 0.759 203 L CB -0.449 41.516 42.059 -0.158 0.000 0.903 203 L HN 0.139 nan 8.230 nan 0.000 0.435 207 R N 0.860 121.161 120.500 -0.331 0.000 2.299 207 R HA 0.159 4.500 4.340 0.002 0.000 0.197 207 R C 0.069 176.040 176.300 -0.549 0.000 0.971 207 R CA 0.344 56.129 56.100 -0.525 0.000 1.030 207 R CB -0.137 29.671 30.300 -0.819 0.000 0.932 207 R HN -0.177 nan 8.270 nan 0.000 0.477 208 F N 1.393 121.384 119.950 0.068 0.000 2.425 208 F HA 0.532 5.058 4.527 -0.000 0.000 0.331 208 F C 0.456 176.237 175.800 -0.032 0.000 1.085 208 F CA -0.945 57.125 58.000 0.116 0.000 1.028 208 F CB 1.370 40.562 39.000 0.320 0.000 1.177 208 F HN -0.227 nan 8.300 nan 0.000 0.487 209 R N 0.525 120.964 120.500 -0.102 0.000 2.771 209 R HA 0.853 5.194 4.340 0.002 0.000 0.274 209 R C -0.454 175.349 176.300 -0.829 0.000 0.987 209 R CA -1.148 54.596 56.100 -0.594 0.000 0.908 209 R CB 2.490 32.631 30.300 -0.265 0.000 1.213 209 R HN 0.920 nan 8.270 nan 0.000 0.468 210 G N 0.491 108.623 108.800 -1.114 0.000 2.321 210 G HA2 0.053 4.014 3.960 0.002 0.000 0.296 210 G HA3 0.053 4.014 3.960 0.002 0.000 0.296 210 G C -0.578 174.228 174.900 -0.156 0.000 1.287 210 G CA -0.440 44.375 45.100 -0.475 0.000 0.846 210 G HN 0.492 nan 8.290 nan 0.000 0.508 211 E N -0.264 120.012 120.200 0.126 0.000 2.038 211 E HA 0.211 4.563 4.350 0.002 0.000 0.190 211 E C 0.894 177.671 176.600 0.294 0.000 0.967 211 E CA 0.902 57.394 56.400 0.154 0.000 0.816 211 E CB 0.144 29.892 29.700 0.079 0.000 0.784 211 E HN 0.410 nan 8.360 nan 0.000 0.456 212 R N -0.208 120.484 120.500 0.321 0.000 2.599 212 R HA 0.750 5.091 4.340 0.002 0.000 0.295 212 R C -1.176 175.327 176.300 0.339 0.000 0.963 212 R CA -0.574 55.694 56.100 0.281 0.000 0.883 212 R CB 2.145 32.446 30.300 0.002 0.000 1.171 212 R HN 0.149 nan 8.270 nan 0.000 0.450 213 A N 2.746 125.675 122.820 0.181 0.000 2.401 213 A HA 0.643 4.964 4.320 0.002 0.000 0.310 213 A C -1.565 175.986 177.584 -0.055 0.000 1.075 213 A CA -0.669 51.275 52.037 -0.155 0.000 0.746 213 A CB 1.631 20.154 19.000 -0.794 0.000 1.277 213 A HN 0.525 nan 8.150 nan 0.000 0.425 214 L N 1.356 122.396 121.223 -0.305 0.000 2.356 214 L HA 0.668 5.010 4.340 0.002 0.000 0.277 214 L C -1.219 175.468 176.870 -0.305 0.000 0.996 214 L CA -0.147 54.427 54.840 -0.444 0.000 0.822 214 L CB 1.810 43.271 42.059 -0.998 0.000 1.256 214 L HN 0.653 nan 8.230 nan 0.000 0.413 215 D N 4.148 124.427 120.400 -0.202 0.000 2.472 215 D HA 0.337 4.979 4.640 0.002 0.000 0.234 215 D C -0.985 175.224 176.300 -0.151 0.000 1.088 215 D CA -0.168 53.753 54.000 -0.132 0.000 0.882 215 D CB 1.011 41.799 40.800 -0.021 0.000 1.037 215 D HN 0.274 nan 8.370 nan 0.000 0.520 216 V N 4.668 124.466 119.914 -0.192 0.000 2.546 216 V HA 0.302 4.424 4.120 0.002 0.000 0.284 216 V C 0.448 176.478 176.094 -0.106 0.000 1.050 216 V CA -0.505 61.608 62.300 -0.312 0.000 0.981 216 V CB -0.072 31.505 31.823 -0.410 0.000 0.990 216 V HN 0.652 nan 8.190 nan 0.000 0.474 217 F N 2.063 121.978 119.950 -0.057 0.000 3.040 217 F HA -0.237 4.291 4.527 0.002 0.000 0.298 217 F C 1.755 177.577 175.800 0.037 0.000 0.948 217 F CA 0.755 58.756 58.000 0.001 0.000 1.022 217 F CB -1.905 37.076 39.000 -0.032 0.000 1.023 217 F HN 0.613 nan 8.300 nan 0.000 0.742 218 S N -0.855 114.920 115.700 0.124 0.000 2.400 218 S HA -0.177 4.295 4.470 0.002 0.000 0.232 218 S C 1.338 176.031 174.600 0.156 0.000 1.025 218 S CA 1.695 59.967 58.200 0.120 0.000 0.993 218 S CB -0.138 63.088 63.200 0.044 0.000 0.808 218 S HN 0.542 nan 8.310 nan 0.000 0.478 219 Y N -0.176 120.115 120.300 -0.015 0.000 2.845 219 Y HA -0.481 4.071 4.550 0.002 0.000 0.468 219 Y C 1.750 177.638 175.900 -0.020 0.000 1.163 219 Y CA 0.951 59.011 58.100 -0.066 0.000 2.636 219 Y CB -1.651 36.651 38.460 -0.263 0.000 1.194 219 Y HN 0.211 nan 8.280 nan 0.000 0.626 220 A N 0.918 123.777 122.820 0.066 0.000 2.259 220 A HA 0.307 4.629 4.320 0.002 0.000 0.212 220 A C 1.870 179.478 177.584 0.039 0.000 1.178 220 A CA 1.946 54.022 52.037 0.066 0.000 0.734 220 A CB -1.506 17.634 19.000 0.233 0.000 0.774 220 A HN 2.111 nan 8.150 nan 0.000 0.481 221 G N -2.677 106.151 108.800 0.048 0.000 2.141 221 G HA2 -0.149 3.813 3.960 0.002 0.000 0.242 221 G HA3 -0.149 3.813 3.960 0.002 0.000 0.242 221 G C 1.286 176.219 174.900 0.055 0.000 0.982 221 G CA 0.732 45.864 45.100 0.054 0.000 0.662 221 G HN 1.267 nan 8.290 nan 0.000 0.527 222 G N 0.329 109.142 108.800 0.020 0.000 2.514 222 G HA2 -0.087 3.874 3.960 0.002 0.000 0.217 222 G HA3 -0.087 3.874 3.960 0.002 0.000 0.217 222 G C 1.467 176.376 174.900 0.014 0.000 1.198 222 G CA 1.653 46.713 45.100 -0.066 0.000 0.780 222 G HN 0.487 nan 8.290 nan 0.000 0.565 223 F N 1.792 121.800 119.950 0.097 0.000 2.134 223 F HA 0.024 4.552 4.527 0.001 0.000 0.299 223 F C 3.097 178.976 175.800 0.132 0.000 1.097 223 F CA 1.064 59.145 58.000 0.135 0.000 1.264 223 F CB -0.461 38.595 39.000 0.093 0.000 1.001 223 F HN 0.248 nan 8.300 nan 0.000 0.479 224 A N 0.197 123.166 122.820 0.248 0.000 1.940 224 A HA -0.165 4.157 4.320 0.002 0.000 0.219 224 A C 2.260 179.914 177.584 0.118 0.000 1.176 224 A CA 1.507 53.633 52.037 0.148 0.000 0.631 224 A CB -1.092 17.962 19.000 0.092 0.000 0.814 224 A HN 0.407 nan 8.150 nan 0.000 0.446 225 L N -1.438 119.826 121.223 0.067 0.000 2.017 225 L HA -0.203 4.138 4.340 0.002 0.000 0.208 225 L C 2.647 179.490 176.870 -0.045 0.000 1.073 225 L CA 1.464 56.288 54.840 -0.027 0.000 0.745 225 L CB -0.847 41.134 42.059 -0.131 0.000 0.894 225 L HN 0.498 nan 8.230 nan 0.000 0.432 226 H N -0.229 118.902 119.070 0.101 0.000 2.428 226 H HA -0.049 4.509 4.556 0.003 0.000 0.296 226 H C 2.386 177.830 175.328 0.194 0.000 1.062 226 H CA 1.168 57.292 56.048 0.126 0.000 1.350 226 H CB 0.092 29.919 29.762 0.108 0.000 1.403 226 H HN 0.336 nan 8.280 nan 0.000 0.533 227 L N 0.233 121.652 121.223 0.326 0.000 2.156 227 L HA -0.053 4.289 4.340 0.002 0.000 0.208 227 L C 2.779 179.868 176.870 0.364 0.000 1.095 227 L CA 0.675 55.726 54.840 0.351 0.000 0.770 227 L CB -0.367 41.785 42.059 0.155 0.000 0.914 227 L HN 0.170 nan 8.230 nan 0.000 0.439 228 A N 0.034 122.989 122.820 0.226 0.000 2.125 228 A HA -0.124 4.198 4.320 0.002 0.000 0.219 228 A C 2.193 179.878 177.584 0.168 0.000 1.156 228 A CA 1.165 53.312 52.037 0.184 0.000 0.671 228 A CB -0.552 18.513 19.000 0.109 0.000 0.794 228 A HN 0.402 nan 8.150 nan 0.000 0.459 229 L N -1.677 119.647 121.223 0.168 0.000 2.217 229 L HA 0.001 4.342 4.340 0.002 0.000 0.211 229 L C 2.336 179.273 176.870 0.111 0.000 1.107 229 L CA 1.050 55.963 54.840 0.121 0.000 0.783 229 L CB -0.188 41.940 42.059 0.114 0.000 0.919 229 L HN 0.480 nan 8.230 nan 0.000 0.442 230 G N -1.760 107.143 108.800 0.170 0.000 3.079 230 G HA2 0.192 4.153 3.960 0.002 0.000 0.233 230 G HA3 0.192 4.153 3.960 0.002 0.000 0.233 230 G C 0.018 174.821 174.900 -0.163 0.000 1.062 230 G CA -0.178 44.932 45.100 0.016 0.000 0.809 230 G HN 0.003 nan 8.290 nan 0.000 0.535 231 F N 0.378 120.387 119.950 0.098 0.000 2.480 231 F HA 0.548 5.076 4.527 0.001 0.000 0.329 231 F C 1.339 177.183 175.800 0.073 0.000 1.091 231 F CA -1.231 56.825 58.000 0.094 0.000 0.972 231 F CB 1.821 40.891 39.000 0.117 0.000 1.150 231 F HN -0.270 nan 8.300 nan 0.000 0.467 232 R N 0.624 121.245 120.500 0.202 0.000 2.075 232 R HA -0.045 4.297 4.340 0.002 0.000 0.232 232 R C 0.055 176.442 176.300 0.144 0.000 1.126 232 R CA 0.925 57.103 56.100 0.130 0.000 0.963 232 R CB -0.126 30.224 30.300 0.084 0.000 0.858 232 R HN 0.667 nan 8.270 nan 0.000 0.435 233 E N 0.565 120.877 120.200 0.187 0.000 2.246 233 E HA 0.319 4.671 4.350 0.002 0.000 0.266 233 E C -1.580 175.124 176.600 0.174 0.000 0.880 233 E CA -0.382 56.108 56.400 0.149 0.000 0.762 233 E CB 2.025 31.790 29.700 0.108 0.000 1.180 233 E HN -0.235 nan 8.360 nan 0.000 0.416 234 V N 4.643 124.636 119.914 0.131 0.000 2.483 234 V HA 0.305 4.426 4.120 0.002 0.000 0.297 234 V C -0.451 175.687 176.094 0.073 0.000 1.027 234 V CA -0.822 61.533 62.300 0.092 0.000 0.855 234 V CB 1.751 33.623 31.823 0.082 0.000 0.995 234 V HN 0.498 nan 8.190 nan 0.000 0.424 235 V N 4.366 124.319 119.914 0.064 0.000 2.333 235 V HA 0.662 4.784 4.120 0.002 0.000 0.274 235 V C 0.572 176.651 176.094 -0.026 0.000 1.028 235 V CA -0.468 61.855 62.300 0.038 0.000 0.851 235 V CB 1.484 33.356 31.823 0.080 0.000 1.000 235 V HN 0.951 nan 8.190 nan 0.000 0.456 236 A N 5.783 128.594 122.820 -0.015 0.000 2.252 236 A HA 0.742 5.064 4.320 0.002 0.000 0.309 236 A C -0.410 177.141 177.584 -0.054 0.000 1.285 236 A CA -0.355 51.665 52.037 -0.028 0.000 0.900 236 A CB 0.588 19.588 19.000 0.000 0.000 1.157 236 A HN 0.646 nan 8.150 nan 0.000 0.536 237 V N 3.205 123.060 119.914 -0.098 0.000 2.581 237 V HA 0.659 4.780 4.120 0.002 0.000 0.303 237 V C -0.234 175.782 176.094 -0.130 0.000 1.041 237 V CA -0.511 61.711 62.300 -0.131 0.000 0.907 237 V CB 1.722 33.421 31.823 -0.207 0.000 0.994 237 V HN 0.989 nan 8.190 nan 0.000 0.442 238 D N 1.292 121.635 120.400 -0.096 0.000 2.685 238 D HA 0.128 4.769 4.640 0.002 0.000 0.236 238 D C 0.432 176.721 176.300 -0.018 0.000 1.233 238 D CA 0.119 54.096 54.000 -0.039 0.000 0.760 238 D CB 2.507 43.308 40.800 0.001 0.000 1.410 238 D HN 0.534 nan 8.370 nan 0.000 0.439 239 S N 0.217 115.941 115.700 0.040 0.000 2.558 239 S HA 0.066 4.538 4.470 0.002 0.000 0.217 239 S C 0.830 175.455 174.600 0.042 0.000 0.975 239 S CA -0.045 58.183 58.200 0.045 0.000 0.912 239 S CB 0.168 63.420 63.200 0.086 0.000 0.776 239 S HN 0.239 nan 8.310 nan 0.000 0.526 240 S N 1.013 116.730 115.700 0.029 0.000 2.410 240 S HA 0.673 5.144 4.470 0.002 0.000 0.304 240 S C 1.117 175.676 174.600 -0.068 0.000 1.095 240 S CA -0.219 57.973 58.200 -0.013 0.000 1.089 240 S CB 0.737 63.906 63.200 -0.052 0.000 0.968 240 S HN 0.487 nan 8.310 nan 0.000 0.480 241 A N 4.200 126.998 122.820 -0.037 0.000 1.933 241 A HA -0.066 4.255 4.320 0.002 0.000 0.218 241 A C 1.949 179.498 177.584 -0.058 0.000 1.175 241 A CA 1.638 53.651 52.037 -0.040 0.000 0.628 241 A CB -0.645 18.344 19.000 -0.019 0.000 0.814 241 A HN 0.912 nan 8.150 nan 0.000 0.444 242 E N -0.040 120.125 120.200 -0.059 0.000 2.077 242 E HA -0.124 4.228 4.350 0.002 0.000 0.193 242 E C 2.082 178.611 176.600 -0.117 0.000 0.989 242 E CA 1.053 57.416 56.400 -0.061 0.000 0.800 242 E CB -0.259 29.422 29.700 -0.033 0.000 0.746 242 E HN 0.530 nan 8.360 nan 0.000 0.452 243 A N 0.942 123.624 122.820 -0.230 0.000 1.930 243 A HA -0.107 4.214 4.320 0.002 0.000 0.217 243 A C 2.166 179.610 177.584 -0.235 0.000 1.175 243 A CA 0.938 52.734 52.037 -0.402 0.000 0.627 243 A CB -0.516 17.902 19.000 -0.970 0.000 0.815 243 A HN 0.321 nan 8.150 nan 0.000 0.443 244 L N -1.082 120.045 121.223 -0.161 0.000 2.291 244 L HA -0.115 4.227 4.340 0.002 0.000 0.214 244 L C 2.751 179.586 176.870 -0.058 0.000 1.120 244 L CA 0.717 55.502 54.840 -0.092 0.000 0.799 244 L CB -0.434 41.584 42.059 -0.067 0.000 0.925 244 L HN 0.379 nan 8.230 nan 0.000 0.446 245 R N -0.087 120.380 120.500 -0.056 0.000 2.075 245 R HA -0.160 4.181 4.340 0.002 0.000 0.232 245 R C 2.353 178.639 176.300 -0.024 0.000 1.126 245 R CA 1.017 57.097 56.100 -0.032 0.000 0.963 245 R CB -0.311 29.972 30.300 -0.028 0.000 0.858 245 R HN 0.136 nan 8.270 nan 0.000 0.435 246 R N 1.424 121.906 120.500 -0.031 0.000 2.081 246 R HA -0.054 4.287 4.340 0.002 0.000 0.235 246 R C 2.030 178.332 176.300 0.003 0.000 1.131 246 R CA 1.771 57.866 56.100 -0.007 0.000 0.960 246 R CB -0.665 29.635 30.300 0.000 0.000 0.856 246 R HN 0.221 nan 8.270 nan 0.000 0.436 247 A N 0.655 123.467 122.820 -0.013 0.000 1.877 247 A HA -0.182 4.139 4.320 0.002 0.000 0.216 247 A C 2.001 179.589 177.584 0.007 0.000 1.186 247 A CA 1.798 53.834 52.037 0.000 0.000 0.620 247 A CB -0.541 18.451 19.000 -0.013 0.000 0.822 247 A HN 0.558 nan 8.150 nan 0.000 0.443 248 E N -0.313 119.886 120.200 -0.001 0.000 2.077 248 E HA -0.195 4.156 4.350 0.002 0.000 0.193 248 E C 2.011 178.617 176.600 0.009 0.000 0.989 248 E CA 1.307 57.710 56.400 0.004 0.000 0.800 248 E CB -0.198 29.501 29.700 -0.001 0.000 0.746 248 E HN 0.740 nan 8.360 nan 0.000 0.452 249 E N 0.685 120.890 120.200 0.008 0.000 2.077 249 E HA -0.142 4.209 4.350 0.002 0.000 0.193 249 E C 1.922 178.534 176.600 0.021 0.000 0.989 249 E CA 0.674 57.081 56.400 0.012 0.000 0.800 249 E CB -0.024 29.682 29.700 0.010 0.000 0.746 249 E HN 0.181 nan 8.360 nan 0.000 0.452 250 N N 0.741 119.460 118.700 0.032 0.000 2.188 250 N HA -0.098 4.643 4.740 0.002 0.000 0.184 250 N C 1.695 177.224 175.510 0.033 0.000 1.018 250 N CA 1.141 54.220 53.050 0.048 0.000 0.858 250 N CB -0.213 38.317 38.487 0.072 0.000 0.989 250 N HN 0.117 nan 8.380 nan 0.000 0.426 251 A N 1.215 124.050 122.820 0.025 0.000 1.930 251 A HA -0.110 4.211 4.320 0.002 0.000 0.217 251 A C 2.274 179.868 177.584 0.018 0.000 1.175 251 A CA 1.078 53.127 52.037 0.021 0.000 0.627 251 A CB -0.420 18.593 19.000 0.022 0.000 0.815 251 A HN 0.196 nan 8.150 nan 0.000 0.443 252 R N -0.841 119.669 120.500 0.016 0.000 2.075 252 R HA -0.109 4.233 4.340 0.002 0.000 0.232 252 R C 2.032 178.340 176.300 0.012 0.000 1.126 252 R CA 1.518 57.626 56.100 0.013 0.000 0.963 252 R CB -0.396 29.910 30.300 0.011 0.000 0.858 252 R HN 0.445 nan 8.270 nan 0.000 0.435 253 L N 1.498 122.729 121.223 0.014 0.000 2.127 253 L HA -0.158 4.184 4.340 0.002 0.000 0.211 253 L C 1.081 177.957 176.870 0.010 0.000 1.089 253 L CA 1.835 56.682 54.840 0.012 0.000 0.757 253 L CB -0.362 41.706 42.059 0.016 0.000 0.899 253 L HN 0.211 nan 8.230 nan 0.000 0.434 254 N N -0.359 118.348 118.700 0.012 0.000 2.280 254 N HA 0.101 4.842 4.740 0.002 0.000 0.192 254 N C 1.119 176.635 175.510 0.011 0.000 1.109 254 N CA 0.818 53.873 53.050 0.008 0.000 0.855 254 N CB 0.368 38.856 38.487 0.002 0.000 0.974 254 N HN 0.472 nan 8.380 nan 0.000 0.482 255 G N 1.459 110.267 108.800 0.013 0.000 2.198 255 G HA2 -0.263 3.699 3.960 0.002 0.000 0.260 255 G HA3 -0.263 3.699 3.960 0.002 0.000 0.260 255 G C -0.027 174.885 174.900 0.019 0.000 1.025 255 G CA -0.089 45.020 45.100 0.014 0.000 0.769 255 G HN 0.309 nan 8.290 nan 0.000 0.507 256 L N 1.082 122.317 121.223 0.021 0.000 2.397 256 L HA 0.445 4.786 4.340 0.002 0.000 0.263 256 L C 1.843 178.732 176.870 0.032 0.000 1.136 256 L CA 0.122 54.980 54.840 0.029 0.000 1.019 256 L CB 0.540 42.617 42.059 0.030 0.000 1.352 256 L HN 0.198 nan 8.230 nan 0.000 0.420 257 G N 1.247 110.066 108.800 0.030 0.000 2.744 257 G HA2 -0.188 3.773 3.960 0.002 0.000 0.211 257 G HA3 -0.188 3.773 3.960 0.002 0.000 0.211 257 G C 1.146 176.068 174.900 0.037 0.000 1.143 257 G CA 0.045 45.163 45.100 0.029 0.000 0.788 257 G HN 0.706 nan 8.290 nan 0.000 0.534 258 N N 0.467 119.196 118.700 0.048 0.000 2.449 258 N HA 0.003 4.744 4.740 0.002 0.000 0.191 258 N C -0.069 175.481 175.510 0.068 0.000 1.161 258 N CA 0.020 53.106 53.050 0.061 0.000 0.863 258 N CB 0.268 38.801 38.487 0.075 0.000 0.980 258 N HN 0.061 nan 8.380 nan 0.000 0.458 259 V N 1.984 121.931 119.914 0.055 0.000 2.370 259 V HA 0.336 4.458 4.120 0.002 0.000 0.279 259 V C 0.217 176.334 176.094 0.039 0.000 1.029 259 V CA -0.936 61.396 62.300 0.052 0.000 0.870 259 V CB 1.057 32.907 31.823 0.046 0.000 0.984 259 V HN 0.375 nan 8.190 nan 0.000 0.451 260 R N 4.212 124.735 120.500 0.038 0.000 2.480 260 R HA 0.791 5.133 4.340 0.002 0.000 0.306 260 R C -0.848 175.463 176.300 0.018 0.000 0.958 260 R CA -0.696 55.420 56.100 0.027 0.000 0.861 260 R CB 1.824 32.143 30.300 0.032 0.000 1.171 260 R HN 0.495 nan 8.270 nan 0.000 0.445 261 V N 1.292 121.210 119.914 0.007 0.000 2.785 261 V HA 0.619 4.741 4.120 0.002 0.000 0.300 261 V C -0.532 175.556 176.094 -0.010 0.000 1.062 261 V CA -0.906 61.390 62.300 -0.007 0.000 1.029 261 V CB 1.257 33.071 31.823 -0.014 0.000 1.024 261 V HN 0.727 nan 8.190 nan 0.000 0.477 262 L N 2.430 123.639 121.223 -0.023 0.000 2.491 262 L HA 0.501 4.842 4.340 0.002 0.000 0.267 262 L C -0.365 176.483 176.870 -0.038 0.000 0.971 262 L CA -0.284 54.541 54.840 -0.025 0.000 0.857 262 L CB 1.622 43.666 42.059 -0.025 0.000 1.226 262 L HN 0.987 nan 8.230 nan 0.000 0.408 263 E N 4.136 124.319 120.200 -0.028 0.000 2.070 263 E HA 0.645 4.997 4.350 0.002 0.000 0.282 263 E C -0.961 175.623 176.600 -0.026 0.000 1.104 263 E CA 0.041 56.425 56.400 -0.028 0.000 0.876 263 E CB 0.607 30.296 29.700 -0.018 0.000 1.055 263 E HN 0.761 nan 8.360 nan 0.000 0.401 264 A N 4.553 127.350 122.820 -0.038 0.000 2.581 264 A HA 0.296 4.617 4.320 0.002 0.000 0.290 264 A C -1.216 176.343 177.584 -0.042 0.000 1.119 264 A CA -0.908 51.108 52.037 -0.035 0.000 0.670 264 A CB 1.331 20.304 19.000 -0.046 0.000 1.280 264 A HN 0.631 nan 8.150 nan 0.000 0.425 265 N N 0.818 119.508 118.700 -0.017 0.000 2.406 265 N HA 0.336 5.078 4.740 0.002 0.000 0.251 265 N C 1.198 176.678 175.510 -0.050 0.000 1.069 265 N CA 0.497 53.556 53.050 0.015 0.000 0.947 265 N CB 1.592 40.120 38.487 0.069 0.000 1.111 265 N HN 0.792 nan 8.380 nan 0.000 0.497 266 A N 5.061 127.767 122.820 -0.190 0.000 1.896 266 A HA -0.234 4.088 4.320 0.002 0.000 0.220 266 A C 1.643 179.052 177.584 -0.292 0.000 1.206 266 A CA 1.496 53.265 52.037 -0.446 0.000 0.647 266 A CB -0.892 17.468 19.000 -1.066 0.000 0.828 266 A HN 0.732 nan 8.150 nan 0.000 0.455 267 F N 0.495 120.416 119.950 -0.048 0.000 2.065 267 F HA -0.228 4.300 4.527 0.002 0.000 0.298 267 F C 2.278 178.057 175.800 -0.034 0.000 1.112 267 F CA 1.940 59.931 58.000 -0.016 0.000 1.212 267 F CB -0.656 38.340 39.000 -0.007 0.000 0.975 267 F HN 0.217 nan 8.300 nan 0.000 0.476 268 D N 0.064 120.556 120.400 0.153 0.000 2.104 268 D HA -0.166 4.476 4.640 0.002 0.000 0.194 268 D C 2.265 178.578 176.300 0.021 0.000 0.994 268 D CA 1.029 55.072 54.000 0.070 0.000 0.830 268 D CB -0.849 39.981 40.800 0.049 0.000 0.959 268 D HN 0.124 nan 8.370 nan 0.000 0.452 269 L N 0.768 121.979 121.223 -0.021 0.000 2.012 269 L HA -0.156 4.186 4.340 0.002 0.000 0.210 269 L C 2.233 179.076 176.870 -0.045 0.000 1.073 269 L CA 1.473 56.286 54.840 -0.046 0.000 0.748 269 L CB -0.690 41.311 42.059 -0.097 0.000 0.891 269 L HN 0.046 nan 8.230 nan 0.000 0.431 270 L N -0.983 120.194 121.223 -0.076 0.000 2.013 270 L HA -0.273 4.068 4.340 0.002 0.000 0.212 270 L C 2.783 179.647 176.870 -0.011 0.000 1.073 270 L CA 1.690 56.490 54.840 -0.067 0.000 0.753 270 L CB -0.595 41.408 42.059 -0.093 0.000 0.890 270 L HN 0.295 nan 8.230 nan 0.000 0.432 271 R N 0.423 120.931 120.500 0.012 0.000 2.080 271 R HA -0.186 4.155 4.340 0.002 0.000 0.236 271 R C 2.413 178.727 176.300 0.023 0.000 1.137 271 R CA 1.675 57.791 56.100 0.025 0.000 0.943 271 R CB -0.474 29.848 30.300 0.037 0.000 0.846 271 R HN 0.164 nan 8.270 nan 0.000 0.431 272 R N 0.165 120.676 120.500 0.020 0.000 2.097 272 R HA -0.157 4.184 4.340 0.002 0.000 0.236 272 R C 2.253 178.572 176.300 0.031 0.000 1.135 272 R CA 2.236 58.349 56.100 0.021 0.000 0.934 272 R CB -0.604 29.705 30.300 0.016 0.000 0.846 272 R HN 0.320 nan 8.270 nan 0.000 0.431 273 L N 0.713 121.961 121.223 0.041 0.000 2.043 273 L HA -0.207 4.134 4.340 0.002 0.000 0.212 273 L C 2.870 179.788 176.870 0.079 0.000 1.075 273 L CA 1.437 56.324 54.840 0.079 0.000 0.752 273 L CB -0.678 41.459 42.059 0.130 0.000 0.891 273 L HN 0.401 nan 8.230 nan 0.000 0.432 274 E N 1.144 121.380 120.200 0.061 0.000 2.051 274 E HA -0.216 4.136 4.350 0.002 0.000 0.192 274 E C 2.085 178.708 176.600 0.037 0.000 0.991 274 E CA 1.435 57.867 56.400 0.053 0.000 0.799 274 E CB 0.064 29.787 29.700 0.038 0.000 0.748 274 E HN 0.440 nan 8.360 nan 0.000 0.449 275 K N 0.306 120.724 120.400 0.030 0.000 2.152 275 K HA -0.131 4.190 4.320 0.002 0.000 0.206 275 K C 1.982 178.593 176.600 0.020 0.000 1.048 275 K CA 1.297 57.597 56.287 0.022 0.000 0.933 275 K CB -0.084 32.427 32.500 0.019 0.000 0.721 275 K HN 0.200 nan 8.250 nan 0.000 0.447 276 E N -0.337 119.877 120.200 0.023 0.000 2.511 276 E HA -0.017 4.335 4.350 0.002 0.000 0.196 276 E C 0.710 177.316 176.600 0.011 0.000 1.066 276 E CA 0.287 56.697 56.400 0.016 0.000 0.871 276 E CB 0.224 29.935 29.700 0.019 0.000 0.863 276 E HN 0.503 nan 8.360 nan 0.000 0.520 277 G N 2.034 110.844 108.800 0.016 0.000 2.143 277 G HA2 -0.303 3.659 3.960 0.002 0.000 0.248 277 G HA3 -0.303 3.659 3.960 0.002 0.000 0.248 277 G C -0.135 174.762 174.900 -0.004 0.000 0.991 277 G CA 0.000 45.105 45.100 0.008 0.000 0.689 277 G HN 0.290 nan 8.290 nan 0.000 0.522 278 E N 0.343 120.547 120.200 0.008 0.000 2.338 278 E HA 0.467 4.818 4.350 0.002 0.000 0.272 278 E C 0.470 177.060 176.600 -0.015 0.000 1.029 278 E CA -0.153 56.222 56.400 -0.043 0.000 0.872 278 E CB 0.603 30.307 29.700 0.007 0.000 1.015 278 E HN 0.146 nan 8.360 nan 0.000 0.417 279 R N 2.131 122.528 120.500 -0.171 0.000 2.744 279 R HA 0.526 4.867 4.340 0.002 0.000 0.279 279 R C -1.032 175.110 176.300 -0.264 0.000 0.977 279 R CA -0.747 55.320 56.100 -0.054 0.000 0.906 279 R CB 1.020 31.306 30.300 -0.023 0.000 1.197 279 R HN 0.367 nan 8.270 nan 0.000 0.463 280 F N -0.664 119.290 119.950 0.006 0.000 2.611 280 F HA 0.306 4.834 4.527 0.002 0.000 0.324 280 F C 0.937 176.759 175.800 0.036 0.000 1.061 280 F CA -0.842 57.166 58.000 0.014 0.000 0.954 280 F CB 1.575 40.558 39.000 -0.027 0.000 1.301 280 F HN 0.459 nan 8.300 nan 0.000 0.482 281 D N 0.513 121.084 120.400 0.285 0.000 2.354 281 D HA 0.220 4.861 4.640 0.002 0.000 0.209 281 D C -0.602 175.827 176.300 0.215 0.000 1.015 281 D CA 0.633 54.789 54.000 0.259 0.000 0.867 281 D CB 0.944 41.960 40.800 0.360 0.000 0.933 281 D HN 0.203 nan 8.370 nan 0.000 0.520 282 L N 0.240 121.525 121.223 0.103 0.000 2.592 282 L HA 0.442 4.783 4.340 0.002 0.000 0.258 282 L C -2.051 174.709 176.870 -0.182 0.000 0.926 282 L CA -0.714 54.071 54.840 -0.091 0.000 0.885 282 L CB 1.838 43.745 42.059 -0.254 0.000 1.380 282 L HN -0.332 nan 8.230 nan 0.000 0.415 283 V N 4.616 124.416 119.914 -0.190 0.000 2.638 283 V HA 0.564 4.686 4.120 0.002 0.000 0.306 283 V C -0.695 175.272 176.094 -0.213 0.000 1.052 283 V CA -0.612 61.541 62.300 -0.244 0.000 0.885 283 V CB 2.129 33.811 31.823 -0.234 0.000 0.999 283 V HN 0.464 nan 8.190 nan 0.000 0.424 284 V N 6.056 125.835 119.914 -0.226 0.000 2.448 284 V HA 0.532 4.654 4.120 0.002 0.000 0.295 284 V C -0.413 175.565 176.094 -0.194 0.000 1.025 284 V CA -0.498 61.658 62.300 -0.240 0.000 0.859 284 V CB 1.769 33.400 31.823 -0.321 0.000 0.988 284 V HN 0.651 nan 8.190 nan 0.000 0.431 285 L N 4.197 125.328 121.223 -0.153 0.000 2.318 285 L HA 0.547 4.888 4.340 0.002 0.000 0.277 285 L C -0.668 176.166 176.870 -0.060 0.000 1.008 285 L CA -0.203 54.630 54.840 -0.012 0.000 0.846 285 L CB 1.553 43.617 42.059 0.009 0.000 1.220 285 L HN 0.636 nan 8.230 nan 0.000 0.423 286 D N 4.817 125.210 120.400 -0.011 0.000 2.749 286 D HA 0.237 4.878 4.640 0.002 0.000 0.338 286 D C -2.324 173.849 176.300 -0.212 0.000 1.236 286 D CA -1.592 52.353 54.000 -0.091 0.000 0.845 286 D CB 1.035 41.803 40.800 -0.053 0.000 1.080 286 D HN 0.129 nan 8.370 nan 0.000 0.497 287 P HA 0.208 nan 4.420 nan 0.000 0.272 287 P C -2.455 174.462 177.300 -0.638 0.000 1.230 287 P CA -1.015 61.327 63.100 -1.263 0.000 0.788 287 P CB 0.419 31.029 31.700 -1.818 0.000 0.949 288 P HA 0.094 nan 4.420 nan 0.000 0.274 288 P C -0.411 176.801 177.300 -0.147 0.000 1.256 288 P CA -0.303 62.687 63.100 -0.183 0.000 0.795 288 P CB 0.258 31.929 31.700 -0.048 0.000 1.038 289 A N 1.583 124.388 122.820 -0.026 0.000 2.553 289 A HA 0.013 4.334 4.320 0.002 0.000 0.258 289 A C 1.060 178.776 177.584 0.221 0.000 1.069 289 A CA 0.072 52.151 52.037 0.069 0.000 0.767 289 A CB -1.361 17.695 19.000 0.092 0.000 0.997 289 A HN 0.558 nan 8.150 nan 0.000 0.512 290 F N 1.757 121.696 119.950 -0.019 0.000 2.512 290 F HA 0.113 4.642 4.527 0.003 0.000 0.296 290 F C 1.594 177.395 175.800 0.002 0.000 1.110 290 F CA 0.526 58.442 58.000 -0.139 0.000 1.446 290 F CB 0.304 38.968 39.000 -0.561 0.000 1.092 290 F HN 0.638 nan 8.300 nan 0.000 0.554 291 A N 0.684 123.688 122.820 0.306 0.000 2.285 291 A HA 0.367 4.688 4.320 0.002 0.000 0.310 291 A C 0.434 178.163 177.584 0.241 0.000 1.266 291 A CA -0.611 51.574 52.037 0.247 0.000 0.832 291 A CB 0.821 19.995 19.000 0.290 0.000 1.163 291 A HN 0.196 nan 8.150 nan 0.000 0.499 292 K N 1.875 122.386 120.400 0.185 0.000 2.308 292 K HA 0.198 4.519 4.320 0.002 0.000 0.197 292 K C 0.913 177.652 176.600 0.232 0.000 1.049 292 K CA 0.825 57.228 56.287 0.194 0.000 0.991 292 K CB 0.706 33.278 32.500 0.120 0.000 0.836 292 K HN 0.705 nan 8.250 nan 0.000 0.500 293 G N 0.384 109.242 108.800 0.096 0.000 2.574 293 G HA2 0.155 4.117 3.960 0.002 0.000 0.299 293 G HA3 0.155 4.117 3.960 0.002 0.000 0.299 293 G C -0.336 174.313 174.900 -0.419 0.000 1.298 293 G CA -0.520 44.514 45.100 -0.110 0.000 0.952 293 G HN -0.110 nan 8.290 nan 0.000 0.477 294 K N -0.076 119.868 120.400 -0.760 0.000 2.280 294 K HA -0.027 4.294 4.320 0.002 0.000 0.202 294 K C 1.806 178.275 176.600 -0.219 0.000 1.047 294 K CA 1.077 57.014 56.287 -0.583 0.000 0.942 294 K CB -0.056 32.202 32.500 -0.404 0.000 0.739 294 K HN 0.408 nan 8.250 nan 0.000 0.457 295 K N 0.119 120.425 120.400 -0.156 0.000 2.459 295 K HA -0.029 4.293 4.320 0.002 0.000 0.193 295 K C 0.512 177.084 176.600 -0.046 0.000 1.030 295 K CA 0.627 56.866 56.287 -0.080 0.000 1.026 295 K CB 0.371 32.832 32.500 -0.064 0.000 0.809 295 K HN 0.198 nan 8.250 nan 0.000 0.504 296 D N 0.260 120.637 120.400 -0.038 0.000 2.360 296 D HA -0.028 4.614 4.640 0.002 0.000 0.210 296 D C 1.690 178.024 176.300 0.058 0.000 1.047 296 D CA 0.318 54.325 54.000 0.010 0.000 0.854 296 D CB 0.449 41.268 40.800 0.031 0.000 0.936 296 D HN -0.102 nan 8.370 nan 0.000 0.514 297 V N 1.742 121.688 119.914 0.053 0.000 2.252 297 V HA -0.289 3.833 4.120 0.002 0.000 0.249 297 V C 2.359 178.540 176.094 0.145 0.000 1.056 297 V CA 1.767 64.138 62.300 0.120 0.000 1.022 297 V CB -0.484 31.386 31.823 0.080 0.000 0.641 297 V HN 0.199 nan 8.190 nan 0.000 0.445 298 E N -0.245 119.997 120.200 0.069 0.000 2.058 298 E HA -0.281 4.070 4.350 0.002 0.000 0.194 298 E C 2.450 179.109 176.600 0.099 0.000 0.997 298 E CA 1.575 58.007 56.400 0.053 0.000 0.801 298 E CB -0.238 29.461 29.700 -0.003 0.000 0.746 298 E HN 0.488 nan 8.360 nan 0.000 0.450 299 R N 0.559 121.099 120.500 0.066 0.000 2.090 299 R HA -0.071 4.270 4.340 0.002 0.000 0.228 299 R C 2.233 178.576 176.300 0.072 0.000 1.110 299 R CA 1.131 57.255 56.100 0.041 0.000 0.973 299 R CB -0.117 30.177 30.300 -0.011 0.000 0.869 299 R HN 0.130 nan 8.270 nan 0.000 0.440 300 A N 0.034 122.934 122.820 0.133 0.000 1.898 300 A HA -0.211 4.111 4.320 0.002 0.000 0.216 300 A C 1.992 179.795 177.584 0.365 0.000 1.181 300 A CA 1.217 53.372 52.037 0.197 0.000 0.620 300 A CB -0.909 18.274 19.000 0.305 0.000 0.819 300 A HN 0.596 nan 8.150 nan 0.000 0.442 301 Y N 0.247 120.706 120.300 0.266 0.000 2.151 301 Y HA -0.275 4.276 4.550 0.001 0.000 0.284 301 Y C 2.602 178.624 175.900 0.204 0.000 1.166 301 Y CA 2.340 60.600 58.100 0.267 0.000 1.163 301 Y CB -0.176 38.367 38.460 0.138 0.000 0.974 301 Y HN 0.304 nan 8.280 nan 0.000 0.511 302 R N -0.054 120.651 120.500 0.342 0.000 2.075 302 R HA -0.155 4.187 4.340 0.002 0.000 0.232 302 R C 2.358 178.733 176.300 0.125 0.000 1.126 302 R CA 1.180 57.402 56.100 0.204 0.000 0.963 302 R CB -0.487 29.883 30.300 0.117 0.000 0.858 302 R HN 0.435 nan 8.270 nan 0.000 0.435 303 A N -0.064 122.808 122.820 0.086 0.000 1.873 303 A HA -0.170 4.152 4.320 0.002 0.000 0.215 303 A C 1.873 179.635 177.584 0.296 0.000 1.186 303 A CA 1.138 53.205 52.037 0.050 0.000 0.616 303 A CB -0.757 18.081 19.000 -0.270 0.000 0.823 303 A HN 0.419 nan 8.150 nan 0.000 0.442 304 Y N 0.066 120.569 120.300 0.339 0.000 2.145 304 Y HA -0.193 4.360 4.550 0.004 0.000 0.286 304 Y C 2.437 178.346 175.900 0.015 0.000 1.145 304 Y CA 1.874 60.092 58.100 0.197 0.000 1.148 304 Y CB -0.310 38.153 38.460 0.005 0.000 0.981 304 Y HN 0.320 nan 8.280 nan 0.000 0.507 305 K N 0.262 120.711 120.400 0.083 0.000 2.063 305 K HA -0.273 4.048 4.320 0.002 0.000 0.208 305 K C 2.063 178.683 176.600 0.033 0.000 1.048 305 K CA 1.857 58.123 56.287 -0.035 0.000 0.928 305 K CB -0.080 32.386 32.500 -0.057 0.000 0.713 305 K HN 0.164 nan 8.250 nan 0.000 0.442 306 E N 0.445 120.710 120.200 0.108 0.000 2.072 306 E HA -0.140 4.212 4.350 0.002 0.000 0.191 306 E C 1.773 178.457 176.600 0.141 0.000 0.985 306 E CA 1.089 57.563 56.400 0.124 0.000 0.801 306 E CB -0.311 29.486 29.700 0.162 0.000 0.750 306 E HN 0.154 nan 8.360 nan 0.000 0.452 307 V N 0.857 120.896 119.914 0.208 0.000 2.427 307 V HA -0.187 3.935 4.120 0.002 0.000 0.248 307 V C 1.800 177.910 176.094 0.026 0.000 1.051 307 V CA 2.006 64.367 62.300 0.101 0.000 1.048 307 V CB -0.467 31.407 31.823 0.085 0.000 0.666 307 V HN 0.337 nan 8.190 nan 0.000 0.456 308 N N -0.094 118.615 118.700 0.016 0.000 2.216 308 N HA -0.124 4.618 4.740 0.002 0.000 0.183 308 N C 1.758 177.216 175.510 -0.086 0.000 1.017 308 N CA 1.665 54.674 53.050 -0.068 0.000 0.861 308 N CB -0.159 38.245 38.487 -0.139 0.000 0.986 308 N HN 0.458 nan 8.380 nan 0.000 0.428 309 L N 2.208 123.394 121.223 -0.062 0.000 2.017 309 L HA -0.117 4.225 4.340 0.002 0.000 0.208 309 L C 2.205 179.045 176.870 -0.050 0.000 1.073 309 L CA 1.593 56.392 54.840 -0.067 0.000 0.745 309 L CB -0.433 41.598 42.059 -0.047 0.000 0.894 309 L HN -0.014 nan 8.230 nan 0.000 0.432 310 R N -0.409 120.076 120.500 -0.024 0.000 2.096 310 R HA -0.093 4.248 4.340 0.002 0.000 0.235 310 R C 2.238 178.511 176.300 -0.044 0.000 1.127 310 R CA 1.207 57.294 56.100 -0.022 0.000 0.968 310 R CB -0.659 29.637 30.300 -0.006 0.000 0.861 310 R HN 0.565 nan 8.270 nan 0.000 0.440 311 A N 1.331 124.110 122.820 -0.067 0.000 1.873 311 A HA -0.108 4.213 4.320 0.002 0.000 0.215 311 A C 2.147 179.688 177.584 -0.072 0.000 1.186 311 A CA 1.077 53.058 52.037 -0.093 0.000 0.616 311 A CB -0.416 18.519 19.000 -0.109 0.000 0.823 311 A HN 0.159 nan 8.150 nan 0.000 0.442 312 I N -0.414 120.109 120.570 -0.077 0.000 2.286 312 I HA -0.263 3.908 4.170 0.002 0.000 0.248 312 I C 2.252 178.348 176.117 -0.034 0.000 1.115 312 I CA 1.438 62.696 61.300 -0.070 0.000 1.392 312 I CB -0.246 37.691 38.000 -0.105 0.000 1.065 312 I HN 0.287 nan 8.210 nan 0.000 0.418 313 K N 0.576 120.959 120.400 -0.027 0.000 2.362 313 K HA -0.063 4.259 4.320 0.002 0.000 0.200 313 K C 1.846 178.463 176.600 0.028 0.000 1.046 313 K CA 0.962 57.248 56.287 -0.001 0.000 0.952 313 K CB -0.003 32.495 32.500 -0.002 0.000 0.753 313 K HN 0.365 nan 8.250 nan 0.000 0.466 314 L N 0.792 122.037 121.223 0.037 0.000 2.509 314 L HA 0.074 4.415 4.340 0.002 0.000 0.222 314 L C 0.593 177.543 176.870 0.134 0.000 1.123 314 L CA -0.011 54.894 54.840 0.109 0.000 0.856 314 L CB 0.031 42.164 42.059 0.123 0.000 0.985 314 L HN 0.067 nan 8.230 nan 0.000 0.456 315 L N 1.256 122.522 121.223 0.072 0.000 2.326 315 L HA 0.208 4.550 4.340 0.002 0.000 0.278 315 L C 0.395 177.301 176.870 0.061 0.000 1.092 315 L CA -0.216 54.668 54.840 0.073 0.000 0.810 315 L CB 0.900 42.978 42.059 0.033 0.000 1.153 315 L HN 0.126 nan 8.230 nan 0.000 0.439 316 K N 1.989 122.430 120.400 0.068 0.000 2.177 316 K HA 0.337 4.658 4.320 0.002 0.000 0.238 316 K C -0.268 176.362 176.600 0.050 0.000 1.015 316 K CA -0.900 55.418 56.287 0.052 0.000 0.922 316 K CB 1.019 33.548 32.500 0.049 0.000 1.127 316 K HN 0.446 nan 8.250 nan 0.000 0.469 317 E N -0.323 119.902 120.200 0.043 0.000 2.452 317 E HA -0.022 4.329 4.350 0.002 0.000 0.261 317 E C 0.469 177.100 176.600 0.052 0.000 0.987 317 E CA 1.219 57.644 56.400 0.042 0.000 0.926 317 E CB -0.123 29.598 29.700 0.036 0.000 0.934 317 E HN 0.820 nan 8.360 nan 0.000 0.452 318 G N 2.786 111.620 108.800 0.056 0.000 2.179 318 G HA2 -0.266 3.695 3.960 0.002 0.000 0.260 318 G HA3 -0.266 3.695 3.960 0.002 0.000 0.260 318 G C 0.498 175.445 174.900 0.077 0.000 0.977 318 G CA 0.021 45.163 45.100 0.069 0.000 0.641 318 G HN 0.884 nan 8.290 nan 0.000 0.533 319 G N -0.249 108.592 108.800 0.068 0.000 2.544 319 G HA2 0.485 4.446 3.960 0.002 0.000 0.242 319 G HA3 0.485 4.446 3.960 0.002 0.000 0.242 319 G C 0.054 174.972 174.900 0.029 0.000 1.247 319 G CA -0.160 44.980 45.100 0.067 0.000 0.840 319 G HN 0.420 nan 8.290 nan 0.000 0.578 320 I N 1.276 121.838 120.570 -0.014 0.000 2.404 320 I HA 0.305 4.476 4.170 0.002 0.000 0.293 320 I C -0.487 175.562 176.117 -0.113 0.000 0.992 320 I CA -0.807 60.419 61.300 -0.123 0.000 1.149 320 I CB 1.444 39.218 38.000 -0.376 0.000 1.315 320 I HN 0.269 nan 8.210 nan 0.000 0.446 321 L N 6.632 127.817 121.223 -0.063 0.000 2.319 321 L HA 0.755 5.096 4.340 0.002 0.000 0.281 321 L C -0.319 176.515 176.870 -0.060 0.000 1.005 321 L CA -0.200 54.612 54.840 -0.046 0.000 0.828 321 L CB 1.367 43.430 42.059 0.007 0.000 1.227 321 L HN 0.664 nan 8.230 nan 0.000 0.415 322 A N 3.522 126.244 122.820 -0.163 0.000 2.267 322 A HA 0.706 5.027 4.320 0.002 0.000 0.315 322 A C -0.315 177.074 177.584 -0.325 0.000 1.297 322 A CA -0.357 51.493 52.037 -0.312 0.000 0.865 322 A CB 0.825 19.702 19.000 -0.206 0.000 1.165 322 A HN 0.675 nan 8.150 nan 0.000 0.513 323 T N 1.035 115.386 114.554 -0.338 0.000 2.893 323 T HA 0.784 5.135 4.350 0.002 0.000 0.291 323 T C -0.441 174.217 174.700 -0.070 0.000 1.028 323 T CA 0.319 62.331 62.100 -0.145 0.000 0.995 323 T CB 1.302 70.148 68.868 -0.036 0.000 1.051 323 T HN 1.692 nan 8.240 nan 0.000 0.470 324 A N 2.171 124.992 122.820 0.002 0.000 2.569 324 A HA 0.899 5.220 4.320 0.002 0.000 0.290 324 A C -0.798 176.631 177.584 -0.258 0.000 1.136 324 A CA -0.727 51.237 52.037 -0.121 0.000 0.710 324 A CB 1.811 20.851 19.000 0.066 0.000 1.303 324 A HN 0.971 nan 8.150 nan 0.000 0.413 325 S N -1.080 114.287 115.700 -0.555 0.000 2.572 325 S HA 0.441 4.912 4.470 0.002 0.000 0.274 325 S C -0.143 174.264 174.600 -0.322 0.000 1.150 325 S CA 0.020 57.933 58.200 -0.479 0.000 0.944 325 S CB 0.959 63.669 63.200 -0.818 0.000 1.071 325 S HN 1.950 nan 8.310 nan 0.000 0.479 326 C N 2.178 121.408 119.300 -0.117 0.000 2.881 326 C HA 0.564 5.026 4.460 0.002 0.000 0.290 326 C C 0.488 175.552 174.990 0.124 0.000 1.362 326 C CA -0.556 58.502 59.018 0.066 0.000 1.757 326 C CB -1.742 26.075 27.740 0.127 0.000 2.265 326 C HN 0.616 nan 8.230 nan 0.000 0.600 327 S N 1.350 117.080 115.700 0.051 0.000 2.430 327 S HA 0.184 4.656 4.470 0.002 0.000 0.289 327 S C 0.897 175.533 174.600 0.059 0.000 1.143 327 S CA 0.035 58.301 58.200 0.110 0.000 1.067 327 S CB 0.365 63.679 63.200 0.191 0.000 0.964 327 S HN 0.749 nan 8.310 nan 0.000 0.485 328 H N 3.770 122.840 119.070 0.001 0.000 2.387 328 H HA -0.086 4.471 4.556 0.002 0.000 0.299 328 H C 0.836 176.086 175.328 -0.131 0.000 1.099 328 H CA 1.745 57.742 56.048 -0.085 0.000 1.315 328 H CB -0.056 29.635 29.762 -0.118 0.000 1.380 328 H HN 0.636 nan 8.280 nan 0.000 0.513 332 E N 0.539 120.730 120.200 -0.015 0.000 2.085 332 E HA -0.056 4.295 4.350 0.002 0.000 0.194 332 E C -1.004 175.762 176.600 0.276 0.000 0.994 332 E CA 1.649 58.128 56.400 0.131 0.000 0.801 332 E CB -0.822 29.021 29.700 0.239 0.000 0.743 332 E HN 0.528 nan 8.360 nan 0.000 0.453 333 P HA -0.156 nan 4.420 nan 0.000 0.215 333 P C 1.265 178.683 177.300 0.197 0.000 1.157 333 P CA 1.139 64.361 63.100 0.203 0.000 0.863 333 P CB -0.014 31.766 31.700 0.133 0.000 0.787 334 L N -2.565 118.761 121.223 0.172 0.000 2.046 334 L HA -0.173 4.169 4.340 0.002 0.000 0.208 334 L C 2.396 179.359 176.870 0.155 0.000 1.077 334 L CA 1.253 56.232 54.840 0.232 0.000 0.747 334 L CB -0.843 41.365 42.059 0.248 0.000 0.896 334 L HN -0.060 nan 8.230 nan 0.000 0.432 335 F N 0.114 119.990 119.950 -0.124 0.000 2.069 335 F HA -0.302 4.225 4.527 0.000 0.000 0.298 335 F C 2.333 177.931 175.800 -0.337 0.000 1.113 335 F CA 1.688 59.475 58.000 -0.354 0.000 1.214 335 F CB -0.525 38.176 39.000 -0.498 0.000 0.978 335 F HN -0.048 nan 8.300 nan 0.000 0.474 336 Y N 0.347 120.625 120.300 -0.036 0.000 2.352 336 Y HA 0.139 4.695 4.550 0.011 0.000 0.292 336 Y C 1.863 177.691 175.900 -0.120 0.000 1.136 336 Y CA 0.239 58.276 58.100 -0.106 0.000 1.227 336 Y CB -1.331 37.168 38.460 0.065 0.000 0.991 336 Y HN 0.119 nan 8.280 nan 0.000 0.545 340 A N 0.413 123.086 122.820 -0.245 0.000 1.902 340 A HA -0.206 4.115 4.320 0.002 0.000 0.217 340 A C 1.858 179.366 177.584 -0.127 0.000 1.181 340 A CA 2.345 54.287 52.037 -0.159 0.000 0.623 340 A CB -0.368 18.595 19.000 -0.062 0.000 0.818 340 A HN 0.662 nan 8.150 nan 0.000 0.443 341 E N -0.426 119.714 120.200 -0.099 0.000 2.077 341 E HA -0.129 4.222 4.350 0.002 0.000 0.193 341 E C 2.348 178.886 176.600 -0.104 0.000 0.989 341 E CA 0.928 57.291 56.400 -0.061 0.000 0.800 341 E CB -0.261 29.443 29.700 0.007 0.000 0.746 341 E HN 0.625 nan 8.360 nan 0.000 0.452 342 A N 1.431 124.158 122.820 -0.154 0.000 1.877 342 A HA -0.118 4.203 4.320 0.002 0.000 0.216 342 A C 2.383 179.862 177.584 -0.175 0.000 1.186 342 A CA 1.706 53.646 52.037 -0.161 0.000 0.620 342 A CB -0.627 18.256 19.000 -0.194 0.000 0.822 342 A HN 0.302 nan 8.150 nan 0.000 0.443 343 A N -0.626 122.072 122.820 -0.203 0.000 1.877 343 A HA -0.228 4.094 4.320 0.002 0.000 0.216 343 A C 2.137 179.636 177.584 -0.141 0.000 1.186 343 A CA 1.735 53.662 52.037 -0.184 0.000 0.620 343 A CB -0.638 18.231 19.000 -0.219 0.000 0.822 343 A HN 0.658 nan 8.150 nan 0.000 0.443 344 Q N -0.556 119.172 119.800 -0.120 0.000 2.050 344 Q HA -0.197 4.145 4.340 0.002 0.000 0.202 344 Q C 1.497 177.391 176.000 -0.178 0.000 0.980 344 Q CA 1.534 57.285 55.803 -0.086 0.000 0.840 344 Q CB -0.274 28.435 28.738 -0.049 0.000 0.898 344 Q HN 0.576 nan 8.270 nan 0.000 0.424 345 D N 0.220 120.497 120.400 -0.205 0.000 2.218 345 D HA -0.088 4.553 4.640 0.002 0.000 0.204 345 D C 1.328 177.322 176.300 -0.509 0.000 0.976 345 D CA 1.163 54.983 54.000 -0.301 0.000 0.853 345 D CB -0.049 40.652 40.800 -0.164 0.000 0.939 345 D HN 0.274 nan 8.370 nan 0.000 0.481 346 A N -0.086 122.523 122.820 -0.350 0.000 2.218 346 A HA -0.036 4.285 4.320 0.002 0.000 0.209 346 A C -0.028 177.434 177.584 -0.205 0.000 1.168 346 A CA 0.106 51.983 52.037 -0.265 0.000 0.804 346 A CB -0.431 18.486 19.000 -0.138 0.000 0.834 346 A HN 0.265 nan 8.150 nan 0.000 0.482 347 H N -0.543 118.511 119.070 -0.027 0.000 2.791 347 H HA -0.110 4.447 4.556 0.002 0.000 0.302 347 H C -0.543 174.773 175.328 -0.021 0.000 1.198 347 H CA 1.125 57.161 56.048 -0.020 0.000 1.145 347 H CB -1.396 28.358 29.762 -0.012 0.000 1.385 347 H HN 0.475 nan 8.280 nan 0.000 0.409 348 R N 0.545 121.062 120.500 0.029 0.000 2.534 348 R HA 0.385 4.726 4.340 0.002 0.000 0.301 348 R C 0.049 176.343 176.300 -0.009 0.000 0.961 348 R CA -1.326 54.780 56.100 0.011 0.000 0.871 348 R CB 2.115 32.405 30.300 -0.017 0.000 1.170 348 R HN 0.061 nan 8.270 nan 0.000 0.446 349 L N 4.121 125.349 121.223 0.008 0.000 2.313 349 L HA 0.365 4.706 4.340 0.002 0.000 0.282 349 L C -0.868 176.007 176.870 0.007 0.000 1.092 349 L CA 0.199 55.043 54.840 0.007 0.000 0.831 349 L CB 0.390 42.462 42.059 0.022 0.000 1.159 349 L HN 0.465 nan 8.230 nan 0.000 0.442 350 L N 5.662 126.883 121.223 -0.003 0.000 2.333 350 L HA 0.563 4.904 4.340 0.002 0.000 0.280 350 L C -0.107 176.833 176.870 0.115 0.000 1.004 350 L CA -0.804 54.055 54.840 0.033 0.000 0.820 350 L CB 1.751 43.760 42.059 -0.084 0.000 1.247 350 L HN 0.641 nan 8.230 nan 0.000 0.416 351 R N 2.050 122.642 120.500 0.154 0.000 2.368 351 R HA 0.486 4.828 4.340 0.002 0.000 0.302 351 R C -1.058 175.377 176.300 0.225 0.000 1.002 351 R CA -0.511 55.681 56.100 0.155 0.000 0.929 351 R CB 1.525 31.890 30.300 0.109 0.000 1.073 351 R HN 0.403 nan 8.270 nan 0.000 0.464 352 V N 6.268 126.288 119.914 0.177 0.000 2.439 352 V HA 0.018 4.139 4.120 0.002 0.000 0.271 352 V C 1.015 177.102 176.094 -0.011 0.000 1.040 352 V CA -0.111 62.223 62.300 0.057 0.000 1.002 352 V CB 1.138 32.974 31.823 0.022 0.000 1.000 352 V HN 0.791 nan 8.190 nan 0.000 0.477 353 V N 3.688 123.563 119.914 -0.065 0.000 2.426 353 V HA 0.130 4.251 4.120 0.002 0.000 0.242 353 V C 0.753 176.866 176.094 0.031 0.000 1.036 353 V CA 1.158 63.493 62.300 0.059 0.000 1.044 353 V CB -0.034 31.898 31.823 0.183 0.000 0.688 353 V HN 0.962 nan 8.190 nan 0.000 0.462 354 E N -0.720 119.413 120.200 -0.112 0.000 2.400 354 E HA 0.318 4.670 4.350 0.002 0.000 0.285 354 E C -1.557 174.917 176.600 -0.209 0.000 1.005 354 E CA -0.611 55.711 56.400 -0.131 0.000 0.816 354 E CB 1.523 31.142 29.700 -0.135 0.000 1.220 354 E HN 0.227 nan 8.360 nan 0.000 0.426 355 K N 3.697 124.019 120.400 -0.129 0.000 2.316 355 K HA 0.517 4.839 4.320 0.002 0.000 0.267 355 K C -0.307 176.299 176.600 0.010 0.000 1.025 355 K CA -0.457 55.811 56.287 -0.032 0.000 0.896 355 K CB 1.630 34.085 32.500 -0.074 0.000 1.124 355 K HN 0.324 nan 8.250 nan 0.000 0.451 356 R N 0.501 121.046 120.500 0.075 0.000 3.084 356 R HA 0.676 5.017 4.340 0.002 0.000 0.234 356 R C 0.162 176.529 176.300 0.111 0.000 1.433 356 R CA -0.959 55.186 56.100 0.075 0.000 1.053 356 R CB 1.528 31.876 30.300 0.081 0.000 1.449 356 R HN 0.692 nan 8.270 nan 0.000 0.505 357 G N -0.477 108.350 108.800 0.046 0.000 2.795 357 G HA2 0.121 4.082 3.960 0.002 0.000 0.127 357 G HA3 0.121 4.082 3.960 0.002 0.000 0.127 357 G C -1.387 173.460 174.900 -0.088 0.000 1.203 357 G CA -0.623 44.480 45.100 0.006 0.000 1.145 357 G HN 0.357 nan 8.290 nan 0.000 0.580 358 Q N 1.699 121.417 119.800 -0.137 0.000 2.293 358 Q HA 0.409 4.751 4.340 0.002 0.000 0.251 358 Q C -1.997 173.941 176.000 -0.104 0.000 0.930 358 Q CA -1.392 54.298 55.803 -0.188 0.000 0.893 358 Q CB 1.549 30.147 28.738 -0.234 0.000 1.215 358 Q HN 0.359 nan 8.270 nan 0.000 0.425 359 P HA -0.031 nan 4.420 nan 0.000 0.275 359 P C 0.177 177.511 177.300 0.058 0.000 1.266 359 P CA -0.308 62.814 63.100 0.036 0.000 0.793 359 P CB 0.421 32.153 31.700 0.053 0.000 1.074 360 F N 0.856 120.811 119.950 0.008 0.000 2.202 360 F HA -0.173 4.355 4.527 0.002 0.000 0.301 360 F C 1.250 177.038 175.800 -0.020 0.000 1.082 360 F CA 1.789 59.783 58.000 -0.011 0.000 1.313 360 F CB -1.572 37.417 39.000 -0.018 0.000 1.024 360 F HN 0.163 nan 8.300 nan 0.000 0.495 361 D N -1.218 118.474 120.400 -1.179 0.000 2.349 361 D HA -0.122 4.519 4.640 0.002 0.000 0.224 361 D C 0.209 176.074 176.300 -0.725 0.000 1.029 361 D CA 0.503 53.896 54.000 -1.012 0.000 0.879 361 D CB -1.209 39.010 40.800 -0.970 0.000 0.906 361 D HN 0.556 nan 8.370 nan 0.000 0.528 362 H N 1.204 119.966 119.070 -0.513 0.000 2.386 362 H HA 0.231 4.788 4.556 0.002 0.000 0.232 362 H C -2.275 172.840 175.328 -0.355 0.000 1.416 362 H CA -1.448 54.139 56.048 -0.769 0.000 1.285 362 H CB 0.952 30.341 29.762 -0.622 0.000 1.625 362 H HN 0.165 nan 8.280 nan 0.000 0.521 363 P HA -0.068 nan 4.420 nan 0.000 0.265 363 P C 0.252 177.603 177.300 0.086 0.000 1.187 363 P CA 0.188 63.301 63.100 0.021 0.000 0.766 363 P CB 1.608 33.319 31.700 0.018 0.000 0.820 364 V N 4.592 124.510 119.914 0.007 0.000 2.513 364 V HA 0.340 4.461 4.120 0.002 0.000 0.299 364 V C 0.533 176.610 176.094 -0.029 0.000 1.035 364 V CA -0.758 61.533 62.300 -0.016 0.000 0.889 364 V CB 1.569 33.322 31.823 -0.118 0.000 0.988 364 V HN 0.372 nan 8.190 nan 0.000 0.440 365 L N 4.408 125.614 121.223 -0.029 0.000 2.296 365 L HA 0.352 4.693 4.340 0.002 0.000 0.286 365 L C 0.930 177.794 176.870 -0.011 0.000 1.023 365 L CA -0.541 54.281 54.840 -0.031 0.000 0.812 365 L CB 1.654 43.677 42.059 -0.060 0.000 1.223 365 L HN 0.568 nan 8.230 nan 0.000 0.421 366 L N 3.704 124.920 121.223 -0.012 0.000 2.046 366 L HA -0.168 4.174 4.340 0.002 0.000 0.208 366 L C 1.712 178.591 176.870 0.015 0.000 1.077 366 L CA 2.027 56.869 54.840 0.003 0.000 0.747 366 L CB -0.369 41.688 42.059 -0.005 0.000 0.896 366 L HN 0.669 nan 8.230 nan 0.000 0.432 367 N N -1.931 116.766 118.700 -0.005 0.000 2.515 367 N HA -0.067 4.674 4.740 0.002 0.000 0.185 367 N C 0.054 175.546 175.510 -0.029 0.000 1.109 367 N CA 0.648 53.693 53.050 -0.009 0.000 0.903 367 N CB -0.253 38.209 38.487 -0.042 0.000 0.969 367 N HN 0.511 nan 8.380 nan 0.000 0.450 368 H N -0.295 118.657 119.070 -0.197 0.000 2.541 368 H HA 0.261 4.818 4.556 0.002 0.000 0.246 368 H C -1.992 173.195 175.328 -0.234 0.000 1.341 368 H CA -2.039 53.746 56.048 -0.439 0.000 1.469 368 H CB 1.097 30.473 29.762 -0.644 0.000 1.472 368 H HN -0.088 nan 8.280 nan 0.000 0.503 369 P HA -0.244 nan 4.420 nan 0.000 0.218 369 P C 0.915 178.181 177.300 -0.057 0.000 1.152 369 P CA 1.384 64.552 63.100 0.115 0.000 0.857 369 P CB 0.367 32.199 31.700 0.220 0.000 0.787 370 E N -1.432 118.606 120.200 -0.270 0.000 2.333 370 E HA -0.133 4.219 4.350 0.002 0.000 0.198 370 E C 1.791 178.288 176.600 -0.173 0.000 1.007 370 E CA 1.603 57.655 56.400 -0.579 0.000 0.845 370 E CB -1.058 28.522 29.700 -0.200 0.000 0.766 370 E HN 0.448 nan 8.360 nan 0.000 0.507 371 T N -2.583 111.968 114.554 -0.006 0.000 3.035 371 T HA -0.140 4.211 4.350 0.002 0.000 0.268 371 T C 0.719 175.556 174.700 0.229 0.000 1.109 371 T CA 0.480 62.622 62.100 0.070 0.000 1.119 371 T CB -0.262 68.584 68.868 -0.036 0.000 0.900 371 T HN 0.267 nan 8.240 nan 0.000 0.503 372 H N 0.322 119.435 119.070 0.071 0.000 2.685 372 H HA 0.363 4.920 4.556 0.002 0.000 0.286 372 H C 0.108 175.526 175.328 0.150 0.000 1.102 372 H CA -1.095 54.984 56.048 0.051 0.000 1.254 372 H CB 0.393 30.188 29.762 0.056 0.000 1.397 372 H HN 0.501 nan 8.280 nan 0.000 0.473 373 Y N 3.308 123.693 120.300 0.142 0.000 2.452 373 Y HA 0.234 4.787 4.550 0.004 0.000 0.262 373 Y C -0.834 175.014 175.900 -0.086 0.000 1.089 373 Y CA -0.634 57.476 58.100 0.017 0.000 1.262 373 Y CB 0.470 38.971 38.460 0.068 0.000 1.236 373 Y HN 0.327 nan 8.280 nan 0.000 0.512 374 L N 2.596 123.483 121.223 -0.560 0.000 2.282 374 L HA 0.608 4.950 4.340 0.002 0.000 0.288 374 L C -1.331 175.386 176.870 -0.255 0.000 1.033 374 L CA -0.940 53.679 54.840 -0.368 0.000 0.807 374 L CB 1.241 43.032 42.059 -0.446 0.000 1.209 374 L HN 0.045 nan 8.230 nan 0.000 0.423 375 K N 5.048 125.224 120.400 -0.374 0.000 2.324 375 K HA 0.618 4.940 4.320 0.002 0.000 0.253 375 K C -1.632 174.766 176.600 -0.336 0.000 0.932 375 K CA -0.121 55.905 56.287 -0.436 0.000 0.799 375 K CB 1.809 33.702 32.500 -1.011 0.000 1.154 375 K HN 0.430 nan 8.250 nan 0.000 0.425 376 F N 1.614 121.420 119.950 -0.241 0.000 2.585 376 F HA 0.681 5.208 4.527 0.001 0.000 0.319 376 F C -1.477 174.317 175.800 -0.009 0.000 1.165 376 F CA -0.434 57.495 58.000 -0.119 0.000 0.949 376 F CB 1.333 40.284 39.000 -0.081 0.000 1.218 376 F HN 0.573 nan 8.300 nan 0.000 0.453 377 A N 4.912 127.473 122.820 -0.432 0.000 2.414 377 A HA 0.860 5.181 4.320 0.002 0.000 0.306 377 A C -1.947 175.243 177.584 -0.656 0.000 1.054 377 A CA -0.739 51.080 52.037 -0.363 0.000 0.724 377 A CB 1.772 20.789 19.000 0.029 0.000 1.267 377 A HN 0.572 nan 8.150 nan 0.000 0.418 378 V N 1.816 121.321 119.914 -0.681 0.000 2.495 378 V HA 0.693 4.814 4.120 0.002 0.000 0.298 378 V C -1.059 174.666 176.094 -0.614 0.000 1.031 378 V CA -0.256 61.768 62.300 -0.459 0.000 0.871 378 V CB 0.948 32.724 31.823 -0.079 0.000 0.988 378 V HN 0.736 nan 8.190 nan 0.000 0.432 379 F N 1.891 121.797 119.950 -0.074 0.000 2.603 379 F HA 0.675 5.202 4.527 0.001 0.000 0.317 379 F C -0.019 175.752 175.800 -0.048 0.000 1.066 379 F CA -0.740 57.238 58.000 -0.037 0.000 0.941 379 F CB 2.027 40.996 39.000 -0.052 0.000 1.291 379 F HN 0.408 nan 8.300 nan 0.000 0.472 380 Q N 1.275 121.190 119.800 0.191 0.000 2.337 380 Q HA 0.617 4.958 4.340 0.002 0.000 0.270 380 Q C -1.763 174.295 176.000 0.097 0.000 1.043 380 Q CA -0.790 55.078 55.803 0.108 0.000 0.794 380 Q CB 2.293 31.095 28.738 0.108 0.000 1.281 380 Q HN 0.590 nan 8.270 nan 0.000 0.446 381 V N 5.522 125.474 119.914 0.064 0.000 2.508 381 V HA 0.158 4.280 4.120 0.002 0.000 0.281 381 V C 0.455 176.579 176.094 0.050 0.000 1.041 381 V CA 0.110 62.438 62.300 0.045 0.000 1.016 381 V CB 0.399 32.241 31.823 0.032 0.000 0.984 381 V HN 0.743 nan 8.190 nan 0.000 0.478 382 L N 0.000 121.250 121.223 0.045 0.000 2.949 382 L HA 0.000 4.341 4.340 0.002 0.000 0.249 382 L CA 0.000 54.866 54.840 0.043 0.000 0.813 382 L CB 0.000 42.085 42.059 0.043 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502