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 2ga3_1_B DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DXAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.699 174.700 -0.002 0.000 1.109 1 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 1 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 2 P HA 0.371 nan 4.420 nan 0.000 0.269 2 P C 0.777 178.091 177.300 0.023 0.000 1.252 2 P CA -0.205 62.903 63.100 0.014 0.000 0.780 2 P CB 0.997 32.712 31.700 0.024 0.000 0.829 3 E N 2.412 122.619 120.200 0.013 0.000 2.107 3 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 3 E C 0.299 176.916 176.600 0.029 0.000 0.982 3 E CA 0.671 57.077 56.400 0.010 0.000 0.809 3 E CB 0.118 29.811 29.700 -0.011 0.000 0.756 3 E HN 0.438 nan 8.360 nan 0.000 0.459 4 M N 2.570 122.198 119.600 0.047 0.000 2.220 4 M HA 0.204 4.684 4.480 -0.000 0.000 0.343 4 M C -2.298 174.157 176.300 0.259 0.000 1.470 4 M CA -1.498 53.859 55.300 0.096 0.000 1.161 4 M CB 0.371 32.943 32.600 -0.047 0.000 1.737 4 M HN -0.167 nan 8.290 nan 0.000 0.464 5 P HA 0.267 nan 4.420 nan 0.000 0.275 5 P C -0.714 176.675 177.300 0.147 0.000 1.228 5 P CA -0.418 62.767 63.100 0.143 0.000 0.786 5 P CB 0.879 32.627 31.700 0.080 0.000 0.927 6 V N 4.483 124.390 119.914 -0.012 0.000 2.409 6 V HA 0.200 4.320 4.120 -0.000 0.000 0.291 6 V C 0.324 176.411 176.094 -0.011 0.000 1.020 6 V CA -0.794 61.427 62.300 -0.131 0.000 0.848 6 V CB 1.230 32.871 31.823 -0.303 0.000 0.990 6 V HN 0.421 nan 8.190 nan 0.000 0.430 7 L N 4.661 125.912 121.223 0.046 0.000 2.700 7 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 7 L C 1.484 178.440 176.870 0.144 0.000 1.176 7 L CA 0.515 55.407 54.840 0.087 0.000 0.961 7 L CB -0.013 42.135 42.059 0.148 0.000 1.249 7 L HN 0.763 nan 8.230 nan 0.000 0.487 8 E N 2.006 122.223 120.200 0.029 0.000 2.170 8 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 8 E C 0.298 176.841 176.600 -0.095 0.000 0.981 8 E CA 0.501 56.921 56.400 0.034 0.000 0.830 8 E CB 0.314 30.010 29.700 -0.006 0.000 0.775 8 E HN 0.534 nan 8.360 nan 0.000 0.470 9 N N 0.024 118.481 118.700 -0.406 0.000 2.932 9 N HA 0.079 4.819 4.740 -0.000 0.000 0.242 9 N C -1.265 173.739 175.510 -0.843 0.000 1.351 9 N CA -0.109 52.494 53.050 -0.746 0.000 0.785 9 N CB 0.529 38.827 38.487 -0.317 0.000 1.501 9 N HN -0.138 nan 8.380 nan 0.000 0.584 10 R N 1.204 120.798 120.500 -1.510 0.000 2.935 10 R HA 0.451 4.791 4.340 -0.000 0.000 0.354 10 R C -0.099 175.977 176.300 -0.372 0.000 1.206 10 R CA -0.343 55.359 56.100 -0.664 0.000 1.082 10 R CB 0.708 30.818 30.300 -0.317 0.000 1.431 10 R HN 0.417 nan 8.270 nan 0.000 0.582 11 A N 0.655 123.267 122.820 -0.346 0.000 2.264 11 A HA 0.693 5.013 4.320 -0.000 0.000 0.304 11 A C 0.177 177.712 177.584 -0.082 0.000 1.100 11 A CA -0.533 51.452 52.037 -0.086 0.000 0.839 11 A CB 0.614 19.596 19.000 -0.031 0.000 1.121 11 A HN 0.398 nan 8.150 nan 0.000 0.496 12 A N 0.398 123.194 122.820 -0.039 0.000 2.566 12 A HA 0.236 4.556 4.320 -0.000 0.000 0.245 12 A C 0.962 178.518 177.584 -0.047 0.000 1.056 12 A CA -0.017 51.997 52.037 -0.037 0.000 0.757 12 A CB 0.041 19.026 19.000 -0.024 0.000 0.979 12 A HN 0.776 nan 8.150 nan 0.000 0.508 13 Q N 1.634 121.404 119.800 -0.050 0.000 2.230 13 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 13 Q C 1.156 177.134 176.000 -0.037 0.000 0.963 13 Q CA 1.540 57.313 55.803 -0.050 0.000 0.866 13 Q CB 0.031 28.739 28.738 -0.050 0.000 0.931 13 Q HN 0.953 nan 8.270 nan 0.000 0.452 14 G N -0.375 108.407 108.800 -0.030 0.000 3.198 14 G HA2 0.083 4.043 3.960 -0.000 0.000 0.166 14 G HA3 0.083 4.043 3.960 -0.000 0.000 0.166 14 G C -1.436 173.451 174.900 -0.022 0.000 1.134 14 G CA -0.407 44.678 45.100 -0.025 0.000 0.941 14 G HN 0.051 nan 8.290 nan 0.000 0.639 15 D N 1.443 121.832 120.400 -0.019 0.000 2.338 15 D HA 0.126 4.766 4.640 -0.000 0.000 0.255 15 D C 2.012 178.302 176.300 -0.016 0.000 1.237 15 D CA -0.515 53.475 54.000 -0.017 0.000 0.883 15 D CB 0.465 41.256 40.800 -0.015 0.000 1.087 15 D HN 0.416 nan 8.370 nan 0.000 0.485 16 I N 1.410 121.970 120.570 -0.016 0.000 2.700 16 I HA -0.157 4.013 4.170 -0.000 0.000 0.261 16 I C 1.443 177.553 176.117 -0.013 0.000 1.219 16 I CA 1.216 62.507 61.300 -0.015 0.000 1.463 16 I CB -0.651 37.340 38.000 -0.015 0.000 1.092 16 I HN 0.319 nan 8.210 nan 0.000 0.452 17 T N -1.368 113.178 114.554 -0.013 0.000 3.100 17 T HA 0.497 4.847 4.350 -0.000 0.000 0.253 17 T C 0.787 175.481 174.700 -0.010 0.000 1.118 17 T CA 0.159 62.252 62.100 -0.011 0.000 1.058 17 T CB -0.139 68.722 68.868 -0.011 0.000 0.953 17 T HN 0.423 nan 8.240 nan 0.000 0.515 18 A N 2.019 124.832 122.820 -0.011 0.000 2.294 18 A HA 0.743 5.063 4.320 -0.000 0.000 0.330 18 A C -2.733 174.844 177.584 -0.011 0.000 1.133 18 A CA -2.241 49.790 52.037 -0.011 0.000 0.836 18 A CB 0.407 19.401 19.000 -0.011 0.000 1.190 18 A HN 0.200 nan 8.150 nan 0.000 0.492 19 P HA 0.242 nan 4.420 nan 0.000 0.262 19 P C 1.031 178.324 177.300 -0.011 0.000 1.182 19 P CA 1.990 65.085 63.100 -0.009 0.000 0.761 19 P CB 0.534 32.229 31.700 -0.008 0.000 0.795 20 G N 2.984 111.777 108.800 -0.012 0.000 2.220 20 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.269 20 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.269 20 G C 1.318 176.208 174.900 -0.017 0.000 0.977 20 G CA 0.445 45.536 45.100 -0.014 0.000 0.634 20 G HN 0.743 nan 8.290 nan 0.000 0.539 21 G N 0.332 109.122 108.800 -0.016 0.000 2.448 21 G HA2 0.262 4.222 3.960 -0.000 0.000 0.219 21 G HA3 0.262 4.222 3.960 -0.000 0.000 0.219 21 G C 1.622 176.510 174.900 -0.020 0.000 1.127 21 G CA 1.984 47.073 45.100 -0.018 0.000 0.766 21 G HN 1.625 nan 8.290 nan 0.000 0.552 22 A N -0.059 122.750 122.820 -0.017 0.000 2.275 22 A HA 0.390 4.710 4.320 -0.000 0.000 0.212 22 A C 1.243 178.816 177.584 -0.019 0.000 1.201 22 A CA -0.459 51.568 52.037 -0.017 0.000 0.843 22 A CB 0.027 19.020 19.000 -0.012 0.000 0.873 22 A HN 0.317 nan 8.150 nan 0.000 0.492 23 R N 0.111 120.598 120.500 -0.022 0.000 2.570 23 R HA 0.203 4.543 4.340 -0.000 0.000 0.277 23 R C 0.527 176.805 176.300 -0.037 0.000 1.039 23 R CA 0.081 56.166 56.100 -0.025 0.000 1.065 23 R CB 0.407 30.692 30.300 -0.025 0.000 0.964 23 R HN 0.338 nan 8.270 nan 0.000 0.428 24 R N 1.957 122.434 120.500 -0.038 0.000 2.312 24 R HA 0.192 4.532 4.340 -0.000 0.000 0.205 24 R C 0.083 176.337 176.300 -0.077 0.000 0.904 24 R CA 0.238 56.300 56.100 -0.062 0.000 1.052 24 R CB 0.337 30.612 30.300 -0.042 0.000 1.014 24 R HN 0.385 nan 8.270 nan 0.000 0.503 25 L N 0.307 121.499 121.223 -0.052 0.000 2.325 25 L HA 0.283 4.623 4.340 -0.000 0.000 0.278 25 L C 1.246 178.089 176.870 -0.045 0.000 1.023 25 L CA -0.374 54.436 54.840 -0.049 0.000 0.811 25 L CB 2.034 44.076 42.059 -0.030 0.000 1.249 25 L HN 0.055 nan 8.230 nan 0.000 0.431 26 T N -2.341 112.185 114.554 -0.047 0.000 3.014 26 T HA 0.377 4.727 4.350 -0.000 0.000 0.250 26 T C 0.573 175.255 174.700 -0.029 0.000 1.060 26 T CA 0.276 62.352 62.100 -0.040 0.000 1.040 26 T CB 0.651 69.492 68.868 -0.045 0.000 0.971 26 T HN 0.721 nan 8.240 nan 0.000 0.497 27 G N 0.230 109.015 108.800 -0.026 0.000 2.550 27 G HA2 0.455 4.415 3.960 -0.000 0.000 0.293 27 G HA3 0.455 4.415 3.960 -0.000 0.000 0.293 27 G C -2.040 172.852 174.900 -0.014 0.000 1.402 27 G CA -0.834 44.255 45.100 -0.018 0.000 0.784 27 G HN 0.163 nan 8.290 nan 0.000 0.482 28 D N -0.584 119.810 120.400 -0.010 0.000 2.472 28 D HA 0.234 4.874 4.640 -0.000 0.000 0.237 28 D C 1.045 177.342 176.300 -0.005 0.000 1.141 28 D CA 0.337 54.334 54.000 -0.007 0.000 0.875 28 D CB 0.857 41.654 40.800 -0.005 0.000 1.192 28 D HN 0.178 nan 8.370 nan 0.000 0.450 29 Q N 1.853 121.652 119.800 -0.002 0.000 2.247 29 Q HA 0.033 4.373 4.340 -0.000 0.000 0.211 29 Q C 1.521 177.524 176.000 0.004 0.000 0.861 29 Q CA 0.140 55.944 55.803 0.001 0.000 0.949 29 Q CB 0.487 29.227 28.738 0.004 0.000 1.115 29 Q HN 0.562 nan 8.270 nan 0.000 0.507 30 T N 1.362 115.918 114.554 0.003 0.000 2.635 30 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 30 T C 1.908 176.610 174.700 0.003 0.000 1.040 30 T CA 1.830 63.932 62.100 0.003 0.000 1.156 30 T CB -0.133 68.736 68.868 0.002 0.000 0.863 30 T HN 0.416 nan 8.240 nan 0.000 0.430 31 A N 1.580 124.400 122.820 0.001 0.000 1.877 31 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 31 A C 2.703 180.290 177.584 0.004 0.000 1.186 31 A CA 2.009 54.046 52.037 0.001 0.000 0.620 31 A CB -1.265 17.735 19.000 -0.001 0.000 0.822 31 A HN 0.532 nan 8.150 nan 0.000 0.443 32 A N -0.884 121.940 122.820 0.006 0.000 1.908 32 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 32 A C 2.083 179.679 177.584 0.019 0.000 1.181 32 A CA 1.821 53.866 52.037 0.014 0.000 0.627 32 A CB -0.562 18.446 19.000 0.014 0.000 0.818 32 A HN 0.460 nan 8.150 nan 0.000 0.445 33 L N -0.437 120.796 121.223 0.015 0.000 2.093 33 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 33 L C 2.537 179.411 176.870 0.007 0.000 1.085 33 L CA 1.644 56.493 54.840 0.016 0.000 0.755 33 L CB -0.607 41.460 42.059 0.014 0.000 0.904 33 L HN 0.341 nan 8.230 nan 0.000 0.435 34 R N -0.640 119.862 120.500 0.002 0.000 2.092 34 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 34 R C 1.533 177.826 176.300 -0.011 0.000 1.119 34 R CA 1.370 57.466 56.100 -0.006 0.000 0.970 34 R CB -0.311 29.986 30.300 -0.006 0.000 0.864 34 R HN 0.353 nan 8.270 nan 0.000 0.440 35 D N -0.305 120.092 120.400 -0.004 0.000 2.348 35 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 35 D C 1.193 177.486 176.300 -0.010 0.000 0.970 35 D CA 0.925 54.921 54.000 -0.006 0.000 0.889 35 D CB 0.120 40.924 40.800 0.007 0.000 0.912 35 D HN 0.040 nan 8.370 nan 0.000 0.524 36 S N -0.379 115.318 115.700 -0.005 0.000 2.524 36 S HA 0.148 4.618 4.470 -0.000 0.000 0.216 36 S C 0.872 175.436 174.600 -0.060 0.000 0.987 36 S CA -0.116 58.075 58.200 -0.014 0.000 0.909 36 S CB 0.539 63.755 63.200 0.027 0.000 0.781 36 S HN 0.183 nan 8.310 nan 0.000 0.521 37 L N 1.960 123.150 121.223 -0.055 0.000 2.265 37 L HA 0.554 4.894 4.340 -0.000 0.000 0.289 37 L C -0.038 176.771 176.870 -0.101 0.000 1.033 37 L CA -0.310 54.486 54.840 -0.073 0.000 0.814 37 L CB 1.391 43.423 42.059 -0.044 0.000 1.203 37 L HN 0.005 nan 8.230 nan 0.000 0.423 38 S N 0.844 116.451 115.700 -0.155 0.000 2.548 38 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 38 S C -0.349 174.053 174.600 -0.330 0.000 1.129 38 S CA -0.742 57.342 58.200 -0.193 0.000 0.931 38 S CB 1.576 64.663 63.200 -0.188 0.000 1.068 38 S HN 0.717 nan 8.310 nan 0.000 0.480 39 D N 2.281 122.493 120.400 -0.314 0.000 2.398 39 D HA 0.125 4.765 4.640 -0.000 0.000 0.210 39 D C 0.551 176.623 176.300 -0.380 0.000 1.094 39 D CA -0.254 53.453 54.000 -0.488 0.000 0.839 39 D CB -0.081 40.634 40.800 -0.141 0.000 0.963 39 D HN 0.675 nan 8.370 nan 0.000 0.506 40 K N 0.315 120.566 120.400 -0.248 0.000 2.286 40 K HA 0.218 4.538 4.320 -0.000 0.000 0.256 40 K C -2.376 174.199 176.600 -0.042 0.000 0.999 40 K CA -1.226 54.998 56.287 -0.105 0.000 0.908 40 K CB -0.349 32.096 32.500 -0.092 0.000 0.981 40 K HN -0.174 nan 8.250 nan 0.000 0.500 41 P HA -0.024 nan 4.420 nan 0.000 0.269 41 P C -1.240 176.088 177.300 0.047 0.000 1.209 41 P CA 0.009 63.159 63.100 0.083 0.000 0.776 41 P CB 0.815 32.539 31.700 0.039 0.000 0.876 42 A N 3.034 125.900 122.820 0.076 0.000 2.260 42 A HA 0.200 4.520 4.320 -0.000 0.000 0.312 42 A C 1.339 178.913 177.584 -0.016 0.000 1.321 42 A CA -0.419 51.632 52.037 0.023 0.000 0.928 42 A CB -0.035 18.997 19.000 0.052 0.000 1.158 42 A HN 0.593 nan 8.150 nan 0.000 0.542 43 K N 2.291 122.665 120.400 -0.043 0.000 2.097 43 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 43 K C 0.060 176.583 176.600 -0.128 0.000 1.050 43 K CA 1.183 57.436 56.287 -0.056 0.000 0.938 43 K CB -0.016 32.458 32.500 -0.044 0.000 0.718 43 K HN 0.793 nan 8.250 nan 0.000 0.442 44 N N -0.323 118.261 118.700 -0.193 0.000 2.455 44 N HA 0.394 5.134 4.740 -0.000 0.000 0.278 44 N C -1.194 174.175 175.510 -0.234 0.000 1.291 44 N CA -0.555 52.246 53.050 -0.414 0.000 0.780 44 N CB 1.979 39.961 38.487 -0.842 0.000 1.520 44 N HN -0.046 nan 8.380 nan 0.000 0.486 45 I N 1.279 121.705 120.570 -0.239 0.000 2.607 45 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 45 I C -0.979 175.062 176.117 -0.127 0.000 1.129 45 I CA -0.488 60.771 61.300 -0.067 0.000 1.042 45 I CB 2.391 40.461 38.000 0.116 0.000 1.242 45 I HN 0.282 nan 8.210 nan 0.000 0.421 46 I N 6.662 127.188 120.570 -0.074 0.000 2.410 46 I HA 0.320 4.490 4.170 -0.000 0.000 0.286 46 I C -1.066 174.981 176.117 -0.117 0.000 1.009 46 I CA -0.705 60.532 61.300 -0.104 0.000 1.111 46 I CB 2.064 40.062 38.000 -0.004 0.000 1.262 46 I HN 0.268 nan 8.210 nan 0.000 0.443 47 L N 8.479 129.584 121.223 -0.198 0.000 2.280 47 L HA 0.557 4.897 4.340 -0.000 0.000 0.287 47 L C -1.242 175.525 176.870 -0.172 0.000 1.023 47 L CA -0.166 54.581 54.840 -0.155 0.000 0.819 47 L CB 1.087 43.084 42.059 -0.104 0.000 1.212 47 L HN 0.430 nan 8.230 nan 0.000 0.420 48 L N 6.571 127.692 121.223 -0.170 0.000 2.287 48 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 48 L C -0.538 176.205 176.870 -0.211 0.000 1.022 48 L CA -0.182 54.558 54.840 -0.167 0.000 0.814 48 L CB 1.385 43.355 42.059 -0.148 0.000 1.217 48 L HN 0.436 nan 8.230 nan 0.000 0.420 49 I N 2.723 123.173 120.570 -0.200 0.000 2.354 49 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 49 I C 0.714 176.734 176.117 -0.161 0.000 0.989 49 I CA -0.300 60.862 61.300 -0.230 0.000 1.188 49 I CB 1.560 39.417 38.000 -0.237 0.000 1.342 49 I HN 0.624 nan 8.210 nan 0.000 0.457 50 G N 5.157 113.851 108.800 -0.176 0.000 2.504 50 G HA2 0.124 4.083 3.960 -0.000 0.000 0.326 50 G HA3 0.124 4.083 3.960 -0.000 0.000 0.326 50 G C -0.133 174.682 174.900 -0.142 0.000 1.073 50 G CA -0.355 44.653 45.100 -0.154 0.000 1.030 50 G HN 0.600 nan 8.290 nan 0.000 0.448 51 D N 2.216 122.557 120.400 -0.098 0.000 2.450 51 D HA 0.230 4.870 4.640 -0.000 0.000 0.247 51 D C 1.526 177.748 176.300 -0.130 0.000 1.162 51 D CA 1.538 55.478 54.000 -0.100 0.000 0.879 51 D CB 0.819 41.624 40.800 0.008 0.000 1.163 51 D HN 0.757 nan 8.370 nan 0.000 0.472 52 G N 4.157 112.776 108.800 -0.302 0.000 2.168 52 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.257 52 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.257 52 G C 0.694 175.558 174.900 -0.061 0.000 0.997 52 G CA 0.543 45.568 45.100 -0.125 0.000 0.708 52 G HN 0.589 nan 8.290 nan 0.000 0.520 53 M N 1.971 121.499 119.600 -0.121 0.000 3.422 53 M HA 0.468 4.948 4.480 -0.000 0.000 0.248 53 M C 1.106 177.368 176.300 -0.064 0.000 1.433 53 M CA 0.379 55.625 55.300 -0.090 0.000 1.592 53 M CB -0.600 31.924 32.600 -0.126 0.000 1.078 53 M HN 0.243 nan 8.290 nan 0.000 0.578 54 G N 1.560 110.353 108.800 -0.013 0.000 2.588 54 G HA2 0.083 4.043 3.960 -0.000 0.000 0.278 54 G HA3 0.083 4.043 3.960 -0.000 0.000 0.278 54 G C -0.087 174.825 174.900 0.021 0.000 1.307 54 G CA -0.400 44.713 45.100 0.021 0.000 1.016 54 G HN 0.695 nan 8.290 nan 0.000 0.503 55 D N -1.044 119.379 120.400 0.038 0.000 2.178 55 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 55 D C 2.504 178.829 176.300 0.042 0.000 0.980 55 D CA 1.480 55.502 54.000 0.038 0.000 0.842 55 D CB 0.193 41.020 40.800 0.045 0.000 0.948 55 D HN 0.256 nan 8.370 nan 0.000 0.472 56 S N 0.000 115.725 115.700 0.041 0.000 2.356 56 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 56 S C 1.778 176.397 174.600 0.031 0.000 1.032 56 S CA 1.171 59.390 58.200 0.032 0.000 1.005 56 S CB -0.096 63.118 63.200 0.024 0.000 0.867 56 S HN 0.070 nan 8.310 nan 0.000 0.449 57 E N 1.255 121.471 120.200 0.027 0.000 2.085 57 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 57 E C 1.930 178.558 176.600 0.046 0.000 0.994 57 E CA 1.403 57.815 56.400 0.020 0.000 0.801 57 E CB -0.387 29.309 29.700 -0.006 0.000 0.743 57 E HN 0.608 nan 8.360 nan 0.000 0.453 58 I N 0.517 121.116 120.570 0.048 0.000 2.226 58 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 58 I C 2.013 178.244 176.117 0.189 0.000 1.100 58 I CA 1.422 62.788 61.300 0.108 0.000 1.374 58 I CB -0.546 37.498 38.000 0.073 0.000 1.057 58 I HN 0.135 nan 8.210 nan 0.000 0.413 59 T N 0.849 115.470 114.554 0.113 0.000 2.737 59 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 59 T C 2.121 176.878 174.700 0.095 0.000 1.038 59 T CA 1.403 63.558 62.100 0.092 0.000 1.144 59 T CB -0.350 68.554 68.868 0.059 0.000 0.866 59 T HN 0.468 nan 8.240 nan 0.000 0.434 60 A N 1.611 124.486 122.820 0.092 0.000 1.877 60 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 60 A C 2.663 180.345 177.584 0.163 0.000 1.186 60 A CA 1.908 54.007 52.037 0.104 0.000 0.620 60 A CB -1.179 17.863 19.000 0.071 0.000 0.822 60 A HN 0.510 nan 8.150 nan 0.000 0.443 61 A N -0.548 122.386 122.820 0.190 0.000 1.933 61 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 61 A C 2.275 180.029 177.584 0.283 0.000 1.175 61 A CA 1.707 53.914 52.037 0.283 0.000 0.628 61 A CB -0.484 18.696 19.000 0.300 0.000 0.814 61 A HN 0.555 nan 8.150 nan 0.000 0.444 62 R N -0.368 120.216 120.500 0.139 0.000 2.075 62 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 62 R C 1.793 178.014 176.300 -0.132 0.000 1.126 62 R CA 1.556 57.454 56.100 -0.336 0.000 0.963 62 R CB -0.324 29.795 30.300 -0.301 0.000 0.858 62 R HN 0.501 nan 8.270 nan 0.000 0.435 63 N N 0.085 118.790 118.700 0.008 0.000 2.069 63 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 63 N C 1.527 177.074 175.510 0.061 0.000 1.031 63 N CA 1.489 54.556 53.050 0.029 0.000 0.852 63 N CB -0.614 37.911 38.487 0.063 0.000 1.018 63 N HN 0.304 nan 8.380 nan 0.000 0.423 64 Y N 0.892 121.216 120.300 0.040 0.000 2.153 64 Y HA 0.041 4.591 4.550 -0.000 0.000 0.289 64 Y C 2.203 178.159 175.900 0.095 0.000 1.127 64 Y CA 1.757 59.905 58.100 0.080 0.000 1.131 64 Y CB -0.409 38.139 38.460 0.146 0.000 0.995 64 Y HN 0.065 nan 8.280 nan 0.000 0.505 65 A N -0.729 122.309 122.820 0.362 0.000 2.081 65 A HA 0.051 4.370 4.320 -0.000 0.000 0.214 65 A C 1.682 179.299 177.584 0.054 0.000 1.158 65 A CA 1.333 53.553 52.037 0.305 0.000 0.724 65 A CB -0.096 19.187 19.000 0.471 0.000 0.826 65 A HN 0.503 nan 8.150 nan 0.000 0.463 66 E N -1.379 118.771 120.200 -0.084 0.000 2.571 66 E HA 0.323 4.673 4.350 -0.000 0.000 0.222 66 E C 0.610 177.144 176.600 -0.110 0.000 0.904 66 E CA 0.623 56.940 56.400 -0.139 0.000 1.157 66 E CB 0.768 30.277 29.700 -0.318 0.000 1.158 66 E HN 0.690 nan 8.360 nan 0.000 0.540 67 G N 1.246 109.987 108.800 -0.098 0.000 2.692 67 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.686 67 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.686 67 G C 0.756 175.617 174.900 -0.065 0.000 1.243 67 G CA -0.169 44.886 45.100 -0.074 0.000 0.782 67 G HN 0.183 nan 8.290 nan 0.000 0.625 68 A N 0.424 123.220 122.820 -0.040 0.000 1.917 68 A HA 0.234 4.554 4.320 -0.000 0.000 0.219 68 A C 2.606 180.176 177.584 -0.023 0.000 1.182 68 A CA 2.677 54.698 52.037 -0.026 0.000 0.633 68 A CB -0.554 18.438 19.000 -0.013 0.000 0.819 68 A HN 2.412 nan 8.150 nan 0.000 0.448 69 G N -0.857 107.929 108.800 -0.023 0.000 3.233 69 G HA2 0.422 4.382 3.960 -0.000 0.000 0.227 69 G HA3 0.422 4.382 3.960 -0.000 0.000 0.227 69 G C 0.695 175.590 174.900 -0.007 0.000 1.175 69 G CA 0.540 45.633 45.100 -0.013 0.000 0.781 69 G HN 0.729 nan 8.290 nan 0.000 0.542 70 G N -0.357 108.427 108.800 -0.027 0.000 2.570 70 G HA2 0.457 4.417 3.960 -0.000 0.000 0.276 70 G HA3 0.457 4.417 3.960 -0.000 0.000 0.276 70 G C -1.038 173.896 174.900 0.058 0.000 1.346 70 G CA -0.694 44.392 45.100 -0.024 0.000 1.034 70 G HN 0.347 nan 8.290 nan 0.000 0.512 71 F N -1.066 118.782 119.950 -0.170 0.000 2.630 71 F HA 0.500 5.027 4.527 -0.000 0.000 0.325 71 F C -1.548 174.200 175.800 -0.086 0.000 1.184 71 F CA -1.267 56.666 58.000 -0.112 0.000 1.011 71 F CB 1.308 40.282 39.000 -0.044 0.000 1.268 71 F HN 0.273 nan 8.300 nan 0.000 0.480 72 F N 6.296 125.898 119.950 -0.579 0.000 2.462 72 F HA 0.289 4.816 4.527 -0.000 0.000 0.360 72 F C 1.312 176.538 175.800 -0.957 0.000 1.134 72 F CA -0.325 57.342 58.000 -0.554 0.000 1.148 72 F CB 0.929 39.725 39.000 -0.340 0.000 1.147 72 F HN 0.489 nan 8.300 nan 0.000 0.550 73 K N 2.107 122.246 120.400 -0.435 0.000 2.218 73 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 73 K C 1.929 178.384 176.600 -0.241 0.000 1.046 73 K CA 1.218 57.307 56.287 -0.330 0.000 0.933 73 K CB -0.470 31.999 32.500 -0.051 0.000 0.728 73 K HN 0.768 nan 8.250 nan 0.000 0.454 74 G N -0.305 108.374 108.800 -0.203 0.000 2.728 74 G HA2 0.005 3.965 3.960 -0.000 0.000 0.223 74 G HA3 0.005 3.965 3.960 -0.000 0.000 0.223 74 G C 1.465 176.246 174.900 -0.197 0.000 1.379 74 G CA 0.086 45.080 45.100 -0.177 0.000 0.870 74 G HN 0.130 nan 8.290 nan 0.000 0.591 75 I N 1.633 122.053 120.570 -0.248 0.000 2.145 75 I HA -0.207 3.963 4.170 -0.000 0.000 0.244 75 I C 1.656 177.700 176.117 -0.122 0.000 1.075 75 I CA 1.528 62.691 61.300 -0.229 0.000 1.332 75 I CB -0.151 37.611 38.000 -0.397 0.000 1.033 75 I HN 0.111 nan 8.210 nan 0.000 0.410 76 D N 0.593 120.923 120.400 -0.118 0.000 2.340 76 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 76 D C 1.863 178.190 176.300 0.045 0.000 1.039 76 D CA 0.692 54.668 54.000 -0.039 0.000 0.866 76 D CB 0.268 41.042 40.800 -0.044 0.000 0.913 76 D HN 0.342 nan 8.370 nan 0.000 0.523 77 A N 0.119 122.910 122.820 -0.048 0.000 2.218 77 A HA 0.092 4.412 4.320 -0.000 0.000 0.209 77 A C 0.840 178.460 177.584 0.061 0.000 1.168 77 A CA -0.047 52.050 52.037 0.101 0.000 0.804 77 A CB -0.113 18.906 19.000 0.032 0.000 0.834 77 A HN 0.079 nan 8.150 nan 0.000 0.482 78 L N 1.134 122.376 121.223 0.032 0.000 2.360 78 L HA 0.204 4.544 4.340 -0.000 0.000 0.276 78 L C -0.901 176.021 176.870 0.087 0.000 1.121 78 L CA -1.015 53.861 54.840 0.059 0.000 0.845 78 L CB 0.539 42.623 42.059 0.043 0.000 1.143 78 L HN 0.133 nan 8.230 nan 0.000 0.452 79 P HA -0.061 nan 4.420 nan 0.000 0.224 79 P C 0.130 177.474 177.300 0.073 0.000 1.157 79 P CA 0.859 64.018 63.100 0.098 0.000 0.799 79 P CB 0.562 32.332 31.700 0.117 0.000 0.809 80 L N 0.981 122.247 121.223 0.070 0.000 2.287 80 L HA 0.391 4.731 4.340 -0.000 0.000 0.287 80 L C 0.456 177.343 176.870 0.029 0.000 1.022 80 L CA -0.367 54.499 54.840 0.044 0.000 0.814 80 L CB 1.609 43.690 42.059 0.036 0.000 1.217 80 L HN -0.033 nan 8.230 nan 0.000 0.420 81 T N -0.296 114.272 114.554 0.023 0.000 2.906 81 T HA 0.927 5.277 4.350 -0.000 0.000 0.295 81 T C -0.202 174.504 174.700 0.010 0.000 1.075 81 T CA -0.576 61.529 62.100 0.008 0.000 1.005 81 T CB 2.546 71.422 68.868 0.013 0.000 1.136 81 T HN 0.686 nan 8.240 nan 0.000 0.498 82 G N 0.137 108.934 108.800 -0.005 0.000 2.706 82 G HA2 0.594 4.554 3.960 -0.000 0.000 0.307 82 G HA3 0.594 4.554 3.960 -0.000 0.000 0.307 82 G C -2.203 172.704 174.900 0.011 0.000 1.307 82 G CA -0.930 44.179 45.100 0.016 0.000 0.790 82 G HN 0.748 nan 8.290 nan 0.000 0.503 83 Q N -0.196 119.638 119.800 0.057 0.000 2.304 83 Q HA 0.564 4.904 4.340 -0.000 0.000 0.270 83 Q C -1.315 174.810 176.000 0.209 0.000 1.035 83 Q CA -0.803 55.059 55.803 0.098 0.000 0.781 83 Q CB 2.384 31.182 28.738 0.101 0.000 1.261 83 Q HN 0.713 nan 8.270 nan 0.000 0.444 84 Y N -1.088 119.265 120.300 0.089 0.000 2.562 84 Y HA 0.875 5.425 4.550 -0.000 0.000 0.343 84 Y C -0.411 175.551 175.900 0.103 0.000 1.025 84 Y CA -1.914 56.243 58.100 0.096 0.000 1.082 84 Y CB 0.443 38.963 38.460 0.099 0.000 1.264 84 Y HN 0.533 nan 8.280 nan 0.000 0.478 85 T N -0.271 114.331 114.554 0.080 0.000 2.907 85 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 85 T C -0.581 173.925 174.700 -0.323 0.000 1.004 85 T CA -0.329 61.708 62.100 -0.104 0.000 1.063 85 T CB 0.756 69.671 68.868 0.078 0.000 0.992 85 T HN 0.946 nan 8.240 nan 0.000 0.483 86 H N -0.810 118.206 119.070 -0.089 0.000 2.665 86 H HA 0.308 4.863 4.556 -0.000 0.000 0.248 86 H C -0.287 174.973 175.328 -0.113 0.000 1.175 86 H CA -1.217 54.720 56.048 -0.185 0.000 0.952 86 H CB -1.283 28.441 29.762 -0.063 0.000 1.883 86 H HN 0.721 nan 8.280 nan 0.000 0.623 87 Y N 0.501 120.750 120.300 -0.085 0.000 2.550 87 Y HA 0.526 5.076 4.550 -0.000 0.000 0.343 87 Y C 0.434 176.314 175.900 -0.032 0.000 1.245 87 Y CA -0.690 57.390 58.100 -0.034 0.000 1.462 87 Y CB 0.414 38.822 38.460 -0.087 0.000 1.340 87 Y HN 0.309 nan 8.280 nan 0.000 0.604 88 A N 3.818 126.688 122.820 0.084 0.000 2.806 88 A HA 0.852 5.172 4.320 -0.000 0.000 0.254 88 A C -0.902 176.722 177.584 0.066 0.000 1.437 88 A CA -1.089 50.951 52.037 0.005 0.000 0.903 88 A CB 0.563 19.568 19.000 0.008 0.000 1.609 88 A HN 0.811 nan 8.150 nan 0.000 0.505 89 L N 0.213 121.455 121.223 0.032 0.000 2.354 89 L HA 0.385 4.725 4.340 -0.000 0.000 0.264 89 L C -0.180 176.708 176.870 0.030 0.000 1.008 89 L CA -0.823 54.034 54.840 0.029 0.000 0.819 89 L CB 1.789 43.863 42.059 0.025 0.000 1.339 89 L HN 0.790 nan 8.230 nan 0.000 0.420 90 N N 1.852 120.548 118.700 -0.007 0.000 2.458 90 N HA 0.031 4.771 4.740 -0.000 0.000 0.270 90 N C 0.549 176.047 175.510 -0.020 0.000 1.102 90 N CA -0.007 53.038 53.050 -0.009 0.000 0.967 90 N CB 1.516 39.986 38.487 -0.029 0.000 1.078 90 N HN 0.659 nan 8.380 nan 0.000 0.471 91 K N 4.087 124.462 120.400 -0.042 0.000 2.074 91 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 91 K C 1.833 178.345 176.600 -0.146 0.000 1.048 91 K CA 1.604 57.794 56.287 -0.161 0.000 0.926 91 K CB 0.089 32.316 32.500 -0.455 0.000 0.713 91 K HN 0.654 nan 8.250 nan 0.000 0.444 92 K N -0.481 119.855 120.400 -0.107 0.000 2.076 92 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 92 K C 1.944 178.520 176.600 -0.040 0.000 1.051 92 K CA 1.700 57.944 56.287 -0.072 0.000 0.949 92 K CB -0.293 32.172 32.500 -0.059 0.000 0.726 92 K HN 0.190 nan 8.250 nan 0.000 0.443 93 T N -3.354 111.180 114.554 -0.033 0.000 3.054 93 T HA 0.213 4.563 4.350 -0.000 0.000 0.259 93 T C 1.624 176.315 174.700 -0.015 0.000 1.092 93 T CA 0.670 62.759 62.100 -0.018 0.000 1.121 93 T CB -0.065 68.794 68.868 -0.015 0.000 0.912 93 T HN 0.516 nan 8.240 nan 0.000 0.489 94 G N 1.558 110.342 108.800 -0.027 0.000 2.184 94 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 94 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 94 G C 0.078 174.969 174.900 -0.015 0.000 0.975 94 G CA 0.477 45.564 45.100 -0.022 0.000 0.642 94 G HN 0.695 nan 8.290 nan 0.000 0.536 95 K N 0.703 121.086 120.400 -0.028 0.000 2.102 95 K HA 0.453 4.773 4.320 -0.000 0.000 0.244 95 K C -2.411 174.132 176.600 -0.096 0.000 1.021 95 K CA -1.869 54.388 56.287 -0.050 0.000 0.913 95 K CB 0.565 33.038 32.500 -0.045 0.000 1.062 95 K HN -0.009 nan 8.250 nan 0.000 0.485 96 P HA -0.035 nan 4.420 nan 0.000 0.268 96 P C -1.147 175.834 177.300 -0.532 0.000 1.204 96 P CA 0.207 63.105 63.100 -0.338 0.000 0.768 96 P CB 0.447 31.773 31.700 -0.622 0.000 0.842 97 D N 2.074 122.269 120.400 -0.341 0.000 2.461 97 D HA 0.138 4.778 4.640 -0.000 0.000 0.240 97 D C 0.323 176.488 176.300 -0.225 0.000 1.094 97 D CA -0.547 53.295 54.000 -0.263 0.000 0.868 97 D CB 0.291 41.056 40.800 -0.058 0.000 1.062 97 D HN 0.238 nan 8.370 nan 0.000 0.530 98 Y N 1.647 121.995 120.300 0.080 0.000 2.298 98 Y HA -0.061 4.489 4.550 -0.000 0.000 0.287 98 Y C 1.066 177.045 175.900 0.131 0.000 1.164 98 Y CA 0.540 58.694 58.100 0.091 0.000 1.229 98 Y CB -0.006 38.476 38.460 0.037 0.000 0.977 98 Y HN 0.168 nan 8.280 nan 0.000 0.538 99 V N 0.505 120.545 119.914 0.210 0.000 2.325 99 V HA 0.192 4.312 4.120 -0.000 0.000 0.280 99 V C 0.245 176.420 176.094 0.136 0.000 1.016 99 V CA -0.967 61.447 62.300 0.189 0.000 0.818 99 V CB 1.107 33.017 31.823 0.144 0.000 1.019 99 V HN 0.088 nan 8.190 nan 0.000 0.434 100 T N 3.203 117.862 114.554 0.175 0.000 2.788 100 T HA 0.302 4.652 4.350 -0.000 0.000 0.287 100 T C -0.156 174.609 174.700 0.108 0.000 1.007 100 T CA -0.341 61.834 62.100 0.126 0.000 1.005 100 T CB 0.901 69.864 68.868 0.158 0.000 1.012 100 T HN 0.901 nan 8.240 nan 0.000 0.530 104 A N 1.173 123.897 122.820 -0.160 0.000 1.902 104 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 104 A C 2.403 179.870 177.584 -0.195 0.000 1.181 104 A CA 2.858 54.780 52.037 -0.192 0.000 0.623 104 A CB -0.917 18.006 19.000 -0.128 0.000 0.818 104 A HN 1.457 nan 8.150 nan 0.000 0.443 105 S N 0.288 115.916 115.700 -0.121 0.000 2.355 105 S HA 0.061 4.531 4.470 -0.000 0.000 0.222 105 S C 2.160 176.508 174.600 -0.421 0.000 1.031 105 S CA 1.218 59.364 58.200 -0.090 0.000 0.993 105 S CB -0.804 62.475 63.200 0.133 0.000 0.859 105 S HN 0.877 nan 8.310 nan 0.000 0.453 106 A N 1.901 124.277 122.820 -0.740 0.000 1.902 106 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 106 A C 2.416 179.285 177.584 -1.192 0.000 1.181 106 A CA 2.139 53.182 52.037 -1.655 0.000 0.623 106 A CB -1.724 16.744 19.000 -0.886 0.000 0.818 106 A HN 0.546 nan 8.150 nan 0.000 0.443 107 T N 0.259 114.430 114.554 -0.637 0.000 2.720 107 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 107 T C 2.217 176.657 174.700 -0.433 0.000 1.037 107 T CA 1.613 63.435 62.100 -0.463 0.000 1.144 107 T CB -0.470 68.195 68.868 -0.338 0.000 0.864 107 T HN 0.621 nan 8.240 nan 0.000 0.444 108 A N 1.409 124.008 122.820 -0.369 0.000 1.883 108 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 108 A C 2.148 179.680 177.584 -0.087 0.000 1.186 108 A CA 1.999 53.901 52.037 -0.226 0.000 0.624 108 A CB -1.077 17.825 19.000 -0.163 0.000 0.822 108 A HN 0.871 nan 8.150 nan 0.000 0.444 109 W N 0.875 122.167 121.300 -0.015 0.000 2.658 109 W HA 0.076 4.736 4.660 -0.000 0.000 0.263 109 W C 1.831 178.440 176.519 0.151 0.000 1.274 109 W CA 1.159 58.563 57.345 0.098 0.000 1.343 109 W CB -0.927 28.617 29.460 0.140 0.000 1.106 109 W HN 0.326 nan 8.180 nan 0.000 0.615 110 S N -0.309 115.290 115.700 -0.169 0.000 2.478 110 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 110 S C 1.523 176.059 174.600 -0.107 0.000 1.008 110 S CA 1.097 59.300 58.200 0.005 0.000 0.928 110 S CB -0.877 62.196 63.200 -0.212 0.000 0.781 110 S HN 0.386 nan 8.310 nan 0.000 0.518 111 T N -4.112 110.128 114.554 -0.523 0.000 2.954 111 T HA 0.537 4.887 4.350 -0.000 0.000 0.252 111 T C 1.537 175.134 174.700 -1.840 0.000 0.983 111 T CA 0.672 62.151 62.100 -1.035 0.000 0.941 111 T CB 0.115 68.691 68.868 -0.486 0.000 1.141 111 T HN 1.171 nan 8.240 nan 0.000 0.500 112 G N 1.067 109.205 108.800 -1.103 0.000 2.141 112 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.242 112 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.242 112 G C -0.082 174.685 174.900 -0.221 0.000 0.982 112 G CA -0.018 44.765 45.100 -0.528 0.000 0.662 112 G HN 0.951 nan 8.290 nan 0.000 0.527 113 V N 1.000 120.698 119.914 -0.360 0.000 2.540 113 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 113 V C 0.430 176.375 176.094 -0.248 0.000 1.035 113 V CA -1.658 60.456 62.300 -0.310 0.000 0.873 113 V CB 1.859 33.349 31.823 -0.555 0.000 0.992 113 V HN 0.187 nan 8.190 nan 0.000 0.428 114 K N 1.769 122.060 120.400 -0.182 0.000 2.219 114 K HA 0.585 4.905 4.320 -0.000 0.000 0.258 114 K C 0.097 176.607 176.600 -0.150 0.000 1.008 114 K CA 0.103 56.286 56.287 -0.173 0.000 0.928 114 K CB 1.468 33.883 32.500 -0.140 0.000 0.983 114 K HN 0.888 nan 8.250 nan 0.000 0.484 115 T N -0.204 114.267 114.554 -0.137 0.000 2.648 115 T HA 0.409 4.759 4.350 -0.000 0.000 0.304 115 T C -1.513 173.154 174.700 -0.055 0.000 1.312 115 T CA -0.732 61.305 62.100 -0.106 0.000 1.023 115 T CB 0.226 68.960 68.868 -0.223 0.000 1.612 115 T HN 0.408 nan 8.240 nan 0.000 0.487 116 Y N 0.932 121.185 120.300 -0.077 0.000 2.316 116 Y HA 0.677 5.227 4.550 -0.000 0.000 0.324 116 Y C 0.458 176.331 175.900 -0.045 0.000 1.267 116 Y CA -1.395 56.671 58.100 -0.057 0.000 1.311 116 Y CB 0.017 38.445 38.460 -0.054 0.000 1.267 116 Y HN 0.345 nan 8.280 nan 0.000 0.516 117 N N 1.186 119.922 118.700 0.060 0.000 2.447 117 N HA 0.286 5.026 4.740 -0.000 0.000 0.263 117 N C 1.041 176.542 175.510 -0.013 0.000 1.226 117 N CA 1.324 54.370 53.050 -0.007 0.000 0.906 117 N CB 0.906 39.414 38.487 0.036 0.000 1.060 117 N HN 1.115 nan 8.380 nan 0.000 0.468 118 G N 0.147 108.887 108.800 -0.101 0.000 2.232 118 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.226 118 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.226 118 G C 0.211 174.991 174.900 -0.200 0.000 0.996 118 G CA 0.089 45.145 45.100 -0.073 0.000 0.626 118 G HN 0.891 nan 8.290 nan 0.000 0.509 119 A N 0.327 122.826 122.820 -0.535 0.000 2.371 119 A HA 0.757 5.077 4.320 -0.000 0.000 0.257 119 A C 0.015 177.385 177.584 -0.356 0.000 1.089 119 A CA 0.273 51.919 52.037 -0.652 0.000 0.794 119 A CB 0.453 18.614 19.000 -1.397 0.000 1.029 119 A HN 0.949 nan 8.150 nan 0.000 0.488 120 L N 1.875 122.957 121.223 -0.235 0.000 2.406 120 L HA 0.538 4.878 4.340 -0.000 0.000 0.270 120 L C 1.028 177.801 176.870 -0.162 0.000 0.982 120 L CA 0.155 54.873 54.840 -0.202 0.000 0.843 120 L CB 1.725 43.684 42.059 -0.167 0.000 1.225 120 L HN 1.233 nan 8.230 nan 0.000 0.412 121 G N 2.730 111.428 108.800 -0.170 0.000 2.168 121 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.257 121 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.257 121 G C -0.126 174.904 174.900 0.217 0.000 0.997 121 G CA 0.442 45.534 45.100 -0.014 0.000 0.708 121 G HN 0.752 nan 8.290 nan 0.000 0.520 122 V N -2.906 117.052 119.914 0.073 0.000 3.114 122 V HA 0.864 4.984 4.120 -0.000 0.000 0.308 122 V C 0.003 176.152 176.094 0.091 0.000 1.168 122 V CA -0.446 61.941 62.300 0.145 0.000 1.015 122 V CB 2.121 34.017 31.823 0.122 0.000 1.050 122 V HN 0.388 nan 8.190 nan 0.000 0.433 123 D N 2.334 122.851 120.400 0.195 0.000 2.507 123 D HA 0.285 4.925 4.640 -0.000 0.000 0.280 123 D C 1.412 177.794 176.300 0.137 0.000 1.219 123 D CA -0.126 53.927 54.000 0.088 0.000 1.085 123 D CB 0.480 41.351 40.800 0.119 0.000 1.134 123 D HN 0.836 nan 8.370 nan 0.000 0.583 124 I N -3.019 117.544 120.570 -0.012 0.000 2.916 124 I HA -0.091 4.079 4.170 -0.000 0.000 0.267 124 I C 0.703 176.700 176.117 -0.200 0.000 1.263 124 I CA 0.843 62.112 61.300 -0.052 0.000 1.471 124 I CB -0.524 37.350 38.000 -0.211 0.000 1.089 124 I HN 0.215 nan 8.210 nan 0.000 0.468 125 H N 1.863 120.997 119.070 0.107 0.000 2.529 125 H HA 0.244 4.800 4.556 -0.000 0.000 0.277 125 H C 0.157 175.528 175.328 0.071 0.000 1.004 125 H CA 0.207 56.290 56.048 0.059 0.000 1.167 125 H CB -0.056 29.737 29.762 0.052 0.000 1.445 125 H HN 0.535 nan 8.280 nan 0.000 0.554 126 E N 0.267 120.580 120.200 0.188 0.000 3.070 126 E HA -0.201 4.149 4.350 -0.000 0.000 0.285 126 E C 0.338 177.011 176.600 0.121 0.000 0.972 126 E CA 0.459 56.963 56.400 0.173 0.000 0.915 126 E CB -0.877 28.898 29.700 0.125 0.000 1.466 126 E HN 0.415 nan 8.360 nan 0.000 0.432 127 K N 1.568 122.044 120.400 0.127 0.000 2.174 127 K HA 0.169 4.489 4.320 -0.000 0.000 0.275 127 K C -0.265 176.296 176.600 -0.064 0.000 1.015 127 K CA -0.577 55.717 56.287 0.011 0.000 0.933 127 K CB 0.801 33.296 32.500 -0.009 0.000 1.025 127 K HN -0.156 nan 8.250 nan 0.000 0.463 128 D N 2.156 122.444 120.400 -0.186 0.000 2.362 128 D HA 0.179 4.819 4.640 -0.000 0.000 0.242 128 D C -0.418 175.594 176.300 -0.480 0.000 1.132 128 D CA 0.404 54.252 54.000 -0.254 0.000 0.907 128 D CB 0.532 41.086 40.800 -0.410 0.000 1.195 128 D HN 0.418 nan 8.370 nan 0.000 0.429 129 H N -0.063 118.937 119.070 -0.117 0.000 2.856 129 H HA 0.279 4.835 4.556 -0.000 0.000 0.355 129 H C -2.384 172.920 175.328 -0.039 0.000 1.079 129 H CA -1.462 54.532 56.048 -0.091 0.000 1.240 129 H CB 1.868 31.568 29.762 -0.104 0.000 1.701 129 H HN 0.055 nan 8.280 nan 0.000 0.527 130 P HA -0.055 nan 4.420 nan 0.000 0.265 130 P C 0.258 177.614 177.300 0.093 0.000 1.187 130 P CA 0.274 63.420 63.100 0.078 0.000 0.766 130 P CB 0.605 32.342 31.700 0.063 0.000 0.820 131 T N -0.120 114.507 114.554 0.121 0.000 2.927 131 T HA 0.252 4.602 4.350 -0.000 0.000 0.281 131 T C 1.057 175.814 174.700 0.095 0.000 0.998 131 T CA -0.600 61.538 62.100 0.065 0.000 1.019 131 T CB 0.511 69.383 68.868 0.007 0.000 1.061 131 T HN 0.166 nan 8.240 nan 0.000 0.518 132 I N 1.066 121.693 120.570 0.095 0.000 2.454 132 I HA 0.022 4.192 4.170 -0.000 0.000 0.254 132 I C 1.909 177.801 176.117 -0.376 0.000 1.156 132 I CA 1.065 62.287 61.300 -0.130 0.000 1.433 132 I CB -0.581 37.258 38.000 -0.269 0.000 1.082 132 I HN 0.789 nan 8.210 nan 0.000 0.432 133 L N -0.177 120.882 121.223 -0.273 0.000 2.095 133 L HA -0.127 4.213 4.340 -0.000 0.000 0.204 133 L C 2.354 179.210 176.870 -0.024 0.000 1.080 133 L CA 1.281 56.032 54.840 -0.148 0.000 0.759 133 L CB -0.412 41.694 42.059 0.078 0.000 0.914 133 L HN 0.219 nan 8.230 nan 0.000 0.439 134 E N -0.253 119.953 120.200 0.010 0.000 2.077 134 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 134 E C 2.176 178.789 176.600 0.023 0.000 0.989 134 E CA 1.759 58.184 56.400 0.042 0.000 0.800 134 E CB -0.202 29.545 29.700 0.079 0.000 0.746 134 E HN 0.552 nan 8.360 nan 0.000 0.452 135 M N 0.438 120.039 119.600 0.002 0.000 2.175 135 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 135 M C 2.496 178.780 176.300 -0.027 0.000 1.063 135 M CA 1.287 56.581 55.300 -0.009 0.000 1.119 135 M CB -0.184 32.407 32.600 -0.015 0.000 1.377 135 M HN 0.129 nan 8.290 nan 0.000 0.415 136 A N 0.622 123.408 122.820 -0.057 0.000 1.902 136 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 136 A C 2.164 179.770 177.584 0.037 0.000 1.181 136 A CA 1.955 53.981 52.037 -0.018 0.000 0.623 136 A CB -0.636 18.355 19.000 -0.014 0.000 0.818 136 A HN 0.451 nan 8.150 nan 0.000 0.443 137 K N -0.238 120.191 120.400 0.047 0.000 2.026 137 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 137 K C 2.111 178.736 176.600 0.041 0.000 1.048 137 K CA 1.316 57.639 56.287 0.059 0.000 0.929 137 K CB -0.383 32.154 32.500 0.061 0.000 0.713 137 K HN 0.331 nan 8.250 nan 0.000 0.439 138 A N 0.749 123.588 122.820 0.031 0.000 2.024 138 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 138 A C 2.081 179.678 177.584 0.021 0.000 1.164 138 A CA 1.842 53.894 52.037 0.024 0.000 0.643 138 A CB -0.588 18.424 19.000 0.020 0.000 0.806 138 A HN 0.497 nan 8.150 nan 0.000 0.451 139 A N -2.042 120.790 122.820 0.020 0.000 2.251 139 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 139 A C 1.696 179.297 177.584 0.028 0.000 1.187 139 A CA 1.092 53.139 52.037 0.018 0.000 0.823 139 A CB -0.812 18.193 19.000 0.008 0.000 0.846 139 A HN 1.860 nan 8.150 nan 0.000 0.486 140 G N -1.256 107.566 108.800 0.037 0.000 2.141 140 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 140 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 140 G C 0.005 174.943 174.900 0.063 0.000 0.982 140 G CA 0.274 45.401 45.100 0.044 0.000 0.662 140 G HN 0.431 nan 8.290 nan 0.000 0.527 141 L N 0.543 121.813 121.223 0.078 0.000 2.343 141 L HA 0.769 5.109 4.340 -0.000 0.000 0.275 141 L C 1.119 178.078 176.870 0.148 0.000 1.056 141 L CA -0.590 54.321 54.840 0.118 0.000 0.804 141 L CB 1.510 43.644 42.059 0.123 0.000 1.203 141 L HN 0.277 nan 8.230 nan 0.000 0.440 142 A N 1.221 124.156 122.820 0.193 0.000 2.386 142 A HA 0.535 4.855 4.320 -0.000 0.000 0.248 142 A C 0.123 177.845 177.584 0.230 0.000 1.082 142 A CA -0.113 52.028 52.037 0.173 0.000 0.789 142 A CB 0.192 19.277 19.000 0.142 0.000 1.025 142 A HN 0.734 nan 8.150 nan 0.000 0.490 143 T N -0.703 113.954 114.554 0.172 0.000 2.848 143 T HA 0.686 5.036 4.350 -0.000 0.000 0.285 143 T C -0.217 174.566 174.700 0.137 0.000 0.995 143 T CA 0.032 62.270 62.100 0.229 0.000 0.970 143 T CB 1.647 70.652 68.868 0.228 0.000 0.976 143 T HN 1.345 nan 8.240 nan 0.000 0.441 144 G N 1.515 110.388 108.800 0.121 0.000 2.530 144 G HA2 0.550 4.510 3.960 -0.000 0.000 0.316 144 G HA3 0.550 4.510 3.960 -0.000 0.000 0.316 144 G C -1.258 173.666 174.900 0.041 0.000 1.298 144 G CA -0.797 44.314 45.100 0.018 0.000 0.948 144 G HN 0.749 nan 8.290 nan 0.000 0.486 145 N N 1.524 120.253 118.700 0.048 0.000 2.531 145 N HA 0.489 5.229 4.740 -0.000 0.000 0.268 145 N C -1.166 174.362 175.510 0.031 0.000 1.023 145 N CA -0.305 52.785 53.050 0.066 0.000 0.896 145 N CB 1.880 40.425 38.487 0.096 0.000 1.233 145 N HN 0.223 nan 8.380 nan 0.000 0.512 146 V N 1.443 121.365 119.914 0.013 0.000 2.604 146 V HA 0.760 4.880 4.120 -0.000 0.000 0.305 146 V C -0.206 175.895 176.094 0.013 0.000 1.043 146 V CA -0.694 61.611 62.300 0.008 0.000 0.888 146 V CB 1.501 33.309 31.823 -0.025 0.000 0.995 146 V HN 0.675 nan 8.190 nan 0.000 0.429 147 S N 1.731 117.446 115.700 0.025 0.000 2.570 147 S HA 0.475 4.945 4.470 -0.000 0.000 0.270 147 S C 0.556 175.172 174.600 0.027 0.000 1.149 147 S CA 0.243 58.457 58.200 0.023 0.000 0.837 147 S CB 2.239 65.460 63.200 0.035 0.000 1.124 147 S HN 1.027 nan 8.310 nan 0.000 0.465 148 T N 0.442 115.004 114.554 0.013 0.000 3.107 148 T HA 0.574 4.924 4.350 -0.000 0.000 0.249 148 T C 0.676 175.394 174.700 0.031 0.000 1.096 148 T CA 0.377 62.485 62.100 0.013 0.000 1.012 148 T CB -0.032 68.825 68.868 -0.018 0.000 0.977 148 T HN 0.852 nan 8.240 nan 0.000 0.527 149 A N 1.978 124.821 122.820 0.038 0.000 2.261 149 A HA 0.604 4.924 4.320 -0.000 0.000 0.323 149 A C 0.104 177.715 177.584 0.046 0.000 1.107 149 A CA -1.073 50.993 52.037 0.049 0.000 0.883 149 A CB 0.611 19.646 19.000 0.058 0.000 1.251 149 A HN 0.605 nan 8.150 nan 0.000 0.502 150 E N 0.599 120.833 120.200 0.057 0.000 2.417 150 E HA 0.094 4.444 4.350 -0.000 0.000 0.261 150 E C -0.103 176.491 176.600 -0.011 0.000 1.000 150 E CA -0.279 56.148 56.400 0.046 0.000 0.919 150 E CB 0.180 29.943 29.700 0.105 0.000 0.955 150 E HN 0.524 nan 8.360 nan 0.000 0.455 151 L N 2.200 123.413 121.223 -0.016 0.000 2.357 151 L HA -0.274 4.066 4.340 -0.000 0.000 0.220 151 L C 1.931 178.722 176.870 -0.131 0.000 1.123 151 L CA 1.291 56.108 54.840 -0.038 0.000 0.782 151 L CB -0.422 41.638 42.059 0.000 0.000 0.910 151 L HN 0.573 nan 8.230 nan 0.000 0.442 152 Q N -0.978 118.655 119.800 -0.279 0.000 2.389 152 Q HA 0.004 4.344 4.340 -0.000 0.000 0.204 152 Q C 0.673 176.295 176.000 -0.631 0.000 0.944 152 Q CA 0.298 55.725 55.803 -0.626 0.000 0.908 152 Q CB -0.173 27.779 28.738 -1.311 0.000 1.002 152 Q HN 0.306 nan 8.270 nan 0.000 0.493 153 D N -0.596 119.618 120.400 -0.309 0.000 2.378 153 D HA 0.034 4.674 4.640 -0.000 0.000 0.238 153 D C 1.011 177.279 176.300 -0.052 0.000 1.180 153 D CA 0.620 54.578 54.000 -0.070 0.000 0.895 153 D CB 0.920 41.752 40.800 0.053 0.000 1.192 153 D HN 0.135 nan 8.370 nan 0.000 0.438 154 A N 2.564 125.392 122.820 0.014 0.000 1.894 154 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 154 A C 2.192 179.756 177.584 -0.034 0.000 1.237 154 A CA 2.834 54.863 52.037 -0.013 0.000 0.660 154 A CB -1.117 17.898 19.000 0.026 0.000 0.835 154 A HN 0.730 nan 8.150 nan 0.000 0.461 155 T N 0.190 114.764 114.554 0.033 0.000 2.622 155 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 155 T C -0.074 174.670 174.700 0.072 0.000 1.047 155 T CA 1.933 64.085 62.100 0.087 0.000 1.159 155 T CB -1.096 67.888 68.868 0.193 0.000 0.863 155 T HN 0.578 nan 8.240 nan 0.000 0.422 156 P HA 0.133 nan 4.420 nan 0.000 0.222 156 P C 1.327 178.618 177.300 -0.015 0.000 1.153 156 P CA 1.051 64.177 63.100 0.043 0.000 0.798 156 P CB -0.107 31.610 31.700 0.029 0.000 0.796 157 A N 1.111 123.889 122.820 -0.069 0.000 1.930 157 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 157 A C 2.494 179.989 177.584 -0.149 0.000 1.175 157 A CA 1.873 53.838 52.037 -0.120 0.000 0.627 157 A CB -1.558 17.348 19.000 -0.157 0.000 0.815 157 A HN 0.211 nan 8.150 nan 0.000 0.443 158 A N -0.463 122.262 122.820 -0.158 0.000 2.076 158 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 158 A C 2.002 179.459 177.584 -0.212 0.000 1.160 158 A CA 1.424 53.322 52.037 -0.232 0.000 0.653 158 A CB -0.514 18.301 19.000 -0.309 0.000 0.801 158 A HN 0.495 nan 8.150 nan 0.000 0.455 159 L N -0.874 120.288 121.223 -0.103 0.000 2.418 159 L HA -0.009 4.331 4.340 -0.000 0.000 0.218 159 L C 1.558 178.392 176.870 -0.060 0.000 1.125 159 L CA 0.992 55.814 54.840 -0.031 0.000 0.835 159 L CB 0.288 42.412 42.059 0.108 0.000 0.953 159 L HN 0.443 nan 8.230 nan 0.000 0.454 160 V N -5.482 114.364 119.914 -0.113 0.000 3.372 160 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 160 V C 0.180 176.173 176.094 -0.167 0.000 1.530 160 V CA -0.143 62.100 62.300 -0.094 0.000 1.080 160 V CB 0.204 32.015 31.823 -0.020 0.000 0.929 160 V HN 0.057 nan 8.190 nan 0.000 0.455 161 A N 0.134 122.769 122.820 -0.310 0.000 2.449 161 A HA 0.856 5.176 4.320 -0.000 0.000 0.302 161 A C -1.091 176.206 177.584 -0.478 0.000 1.048 161 A CA -0.436 51.433 52.037 -0.280 0.000 0.708 161 A CB 1.168 20.069 19.000 -0.165 0.000 1.274 161 A HN 0.491 nan 8.150 nan 0.000 0.410 162 H N 1.921 120.967 119.070 -0.041 0.000 2.786 162 H HA 0.499 5.055 4.556 -0.000 0.000 0.284 162 H C -0.691 174.622 175.328 -0.025 0.000 1.104 162 H CA -0.235 55.790 56.048 -0.038 0.000 1.339 162 H CB 1.148 30.891 29.762 -0.031 0.000 1.427 162 H HN 0.716 nan 8.280 nan 0.000 0.497 163 V N 0.038 119.972 119.914 0.034 0.000 3.078 163 V HA 0.352 4.472 4.120 -0.000 0.000 0.311 163 V C 1.233 177.351 176.094 0.040 0.000 1.138 163 V CA -0.740 61.582 62.300 0.037 0.000 1.007 163 V CB 1.864 33.697 31.823 0.016 0.000 1.045 163 V HN 0.642 nan 8.190 nan 0.000 0.432 164 T N -1.375 113.226 114.554 0.078 0.000 2.995 164 T HA 0.106 4.456 4.350 -0.000 0.000 0.269 164 T C 0.812 175.600 174.700 0.145 0.000 1.091 164 T CA 1.140 63.330 62.100 0.149 0.000 1.128 164 T CB -0.143 68.814 68.868 0.148 0.000 0.891 164 T HN 1.325 nan 8.240 nan 0.000 0.492 165 S N 0.533 116.278 115.700 0.075 0.000 2.548 165 S HA 0.400 4.870 4.470 -0.000 0.000 0.276 165 S C 0.866 175.490 174.600 0.040 0.000 1.129 165 S CA -1.068 57.170 58.200 0.063 0.000 0.931 165 S CB 1.554 64.796 63.200 0.071 0.000 1.068 165 S HN 0.474 nan 8.310 nan 0.000 0.480 166 R N 3.195 123.714 120.500 0.030 0.000 2.241 166 R HA 0.045 4.385 4.340 -0.000 0.000 0.224 166 R C 1.036 177.434 176.300 0.163 0.000 1.101 166 R CA 1.034 57.171 56.100 0.061 0.000 0.995 166 R CB -0.391 29.936 30.300 0.045 0.000 0.870 166 R HN 0.509 nan 8.270 nan 0.000 0.463 167 K N 0.520 120.984 120.400 0.107 0.000 2.439 167 K HA 0.047 4.367 4.320 -0.000 0.000 0.197 167 K C 0.293 176.968 176.600 0.126 0.000 1.041 167 K CA 0.483 56.811 56.287 0.069 0.000 0.970 167 K CB 0.167 32.658 32.500 -0.015 0.000 0.773 167 K HN 0.157 nan 8.250 nan 0.000 0.479 168 c N 2.515 121.201 118.600 0.144 0.000 3.424 168 c HA 0.110 4.680 4.570 -0.000 0.000 0.577 168 c C 1.317 175.517 174.090 0.182 0.000 1.086 168 c CA -0.839 55.562 56.329 0.121 0.000 1.153 168 c CB -2.353 40.194 42.510 0.062 0.000 1.411 168 c HN 0.343 nan 8.230 nan 0.000 0.636 169 Y N 1.790 122.065 120.300 -0.041 0.000 2.089 169 Y HA 0.075 4.625 4.550 -0.000 0.000 0.282 169 Y C 1.896 177.744 175.900 -0.086 0.000 1.139 169 Y CA 1.750 59.816 58.100 -0.057 0.000 1.123 169 Y CB -0.705 37.730 38.460 -0.042 0.000 0.980 169 Y HN 0.527 nan 8.280 nan 0.000 0.493 170 G N -3.168 105.696 108.800 0.107 0.000 3.015 170 G HA2 0.392 4.352 3.960 -0.000 0.000 0.281 170 G HA3 0.392 4.352 3.960 -0.000 0.000 0.281 170 G C -2.153 172.747 174.900 -0.001 0.000 1.386 170 G CA -1.227 43.874 45.100 0.001 0.000 0.959 170 G HN -0.197 nan 8.290 nan 0.000 0.522 171 P HA -0.261 nan 4.420 nan 0.000 0.218 171 P C 2.362 179.662 177.300 0.000 0.000 1.165 171 P CA 3.102 66.198 63.100 -0.008 0.000 0.922 171 P CB 0.065 31.759 31.700 -0.010 0.000 0.794 172 S N -0.409 115.291 115.700 -0.001 0.000 2.351 172 S HA -0.225 4.245 4.470 -0.000 0.000 0.220 172 S C 2.170 176.769 174.600 -0.001 0.000 1.035 172 S CA 1.534 59.733 58.200 -0.002 0.000 1.031 172 S CB -1.758 61.439 63.200 -0.005 0.000 0.928 172 S HN 0.198 nan 8.310 nan 0.000 0.433 173 A N 2.044 124.864 122.820 0.000 0.000 1.883 173 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 173 A C 2.463 180.053 177.584 0.011 0.000 1.186 173 A CA 2.336 54.373 52.037 -0.001 0.000 0.624 173 A CB -1.817 17.183 19.000 0.001 0.000 0.822 173 A HN 0.594 nan 8.150 nan 0.000 0.444 174 T N 0.081 114.647 114.554 0.019 0.000 2.684 174 T HA -0.130 4.219 4.350 -0.000 0.000 0.267 174 T C 2.239 176.948 174.700 0.014 0.000 1.036 174 T CA 1.686 63.798 62.100 0.020 0.000 1.148 174 T CB -0.422 68.456 68.868 0.016 0.000 0.863 174 T HN 0.482 nan 8.240 nan 0.000 0.436 175 S N 0.780 116.485 115.700 0.009 0.000 2.370 175 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 175 S C 2.108 176.712 174.600 0.006 0.000 1.033 175 S CA 1.439 59.643 58.200 0.007 0.000 1.011 175 S CB -0.270 62.933 63.200 0.004 0.000 0.852 175 S HN 0.639 nan 8.310 nan 0.000 0.457 176 E N 0.593 120.795 120.200 0.003 0.000 2.086 176 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 176 E C 1.579 178.181 176.600 0.003 0.000 0.975 176 E CA 0.754 57.154 56.400 0.000 0.000 0.813 176 E CB 0.086 29.782 29.700 -0.005 0.000 0.768 176 E HN 0.381 nan 8.360 nan 0.000 0.457 177 K N -1.012 119.393 120.400 0.007 0.000 2.334 177 K HA 0.169 4.489 4.320 -0.000 0.000 0.195 177 K C 0.281 176.895 176.600 0.023 0.000 1.045 177 K CA 0.146 56.441 56.287 0.013 0.000 1.004 177 K CB 0.930 33.437 32.500 0.012 0.000 0.837 177 K HN 0.045 nan 8.250 nan 0.000 0.510 178 c N 2.414 121.028 118.600 0.024 0.000 3.290 178 c HA 0.224 4.794 4.570 -0.000 0.000 0.206 178 c C -1.571 172.533 174.090 0.023 0.000 1.639 178 c CA -1.318 55.029 56.329 0.030 0.000 1.408 178 c CB 0.384 42.916 42.510 0.036 0.000 2.197 178 c HN 0.261 nan 8.230 nan 0.000 0.508 179 P HA -0.142 nan 4.420 nan 0.000 0.217 179 P C 1.547 178.855 177.300 0.015 0.000 1.148 179 P CA 1.950 65.058 63.100 0.013 0.000 0.828 179 P CB 0.205 31.911 31.700 0.009 0.000 0.783 180 G N -0.715 108.096 108.800 0.019 0.000 2.534 180 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 180 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 180 G C 1.320 176.232 174.900 0.021 0.000 1.128 180 G CA 0.385 45.496 45.100 0.019 0.000 0.784 180 G HN 0.367 nan 8.290 nan 0.000 0.542 181 N N -0.032 118.683 118.700 0.025 0.000 2.322 181 N HA 0.279 5.019 4.740 -0.000 0.000 0.181 181 N C 1.063 176.586 175.510 0.022 0.000 1.088 181 N CA -0.018 53.049 53.050 0.027 0.000 0.885 181 N CB 0.421 38.928 38.487 0.034 0.000 1.013 181 N HN 0.237 nan 8.380 nan 0.000 0.472 182 A N 1.244 124.075 122.820 0.018 0.000 2.566 182 A HA -0.047 4.273 4.320 -0.000 0.000 0.245 182 A C 1.300 178.894 177.584 0.016 0.000 1.056 182 A CA -0.069 51.978 52.037 0.015 0.000 0.757 182 A CB 0.023 19.030 19.000 0.012 0.000 0.979 182 A HN 0.293 nan 8.150 nan 0.000 0.508 183 L N 2.450 123.684 121.223 0.019 0.000 1.990 183 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 183 L C 2.564 179.446 176.870 0.020 0.000 1.072 183 L CA 2.778 57.633 54.840 0.024 0.000 0.755 183 L CB -0.551 41.528 42.059 0.033 0.000 0.889 183 L HN 0.879 nan 8.230 nan 0.000 0.432 184 E N -0.154 120.055 120.200 0.016 0.000 2.515 184 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 184 E C 0.903 177.508 176.600 0.008 0.000 1.071 184 E CA 0.928 57.335 56.400 0.012 0.000 0.880 184 E CB -0.321 29.385 29.700 0.010 0.000 0.828 184 E HN 0.601 nan 8.360 nan 0.000 0.540 185 K N -0.453 119.952 120.400 0.009 0.000 2.506 185 K HA 0.248 4.568 4.320 -0.000 0.000 0.204 185 K C 0.693 177.297 176.600 0.007 0.000 1.045 185 K CA 0.268 56.559 56.287 0.007 0.000 1.074 185 K CB 1.156 33.660 32.500 0.007 0.000 0.842 185 K HN 0.241 nan 8.250 nan 0.000 0.514 186 G N 1.052 109.857 108.800 0.008 0.000 2.258 186 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.233 186 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.233 186 G C 0.573 175.479 174.900 0.010 0.000 1.006 186 G CA -0.207 44.897 45.100 0.007 0.000 0.620 186 G HN 0.485 nan 8.290 nan 0.000 0.511 187 G N -0.324 108.484 108.800 0.013 0.000 2.683 187 G HA2 0.438 4.398 3.960 -0.000 0.000 0.260 187 G HA3 0.438 4.398 3.960 -0.000 0.000 0.260 187 G C 0.785 175.698 174.900 0.023 0.000 1.238 187 G CA 0.384 45.494 45.100 0.017 0.000 0.934 187 G HN 0.354 nan 8.290 nan 0.000 0.534 188 K N -0.107 120.309 120.400 0.027 0.000 2.525 188 K HA 0.231 4.551 4.320 -0.000 0.000 0.192 188 K C 1.274 177.896 176.600 0.037 0.000 1.029 188 K CA 0.728 57.037 56.287 0.037 0.000 1.029 188 K CB -0.135 32.392 32.500 0.045 0.000 0.814 188 K HN 0.954 nan 8.250 nan 0.000 0.503 189 G N 0.797 109.614 108.800 0.028 0.000 2.631 189 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.504 189 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.504 189 G C -0.243 174.659 174.900 0.004 0.000 1.306 189 G CA -0.452 44.658 45.100 0.016 0.000 0.897 189 G HN 0.235 nan 8.290 nan 0.000 0.520 190 S N -0.994 114.697 115.700 -0.015 0.000 2.606 190 S HA 0.491 4.961 4.470 -0.000 0.000 0.257 190 S C 1.849 176.415 174.600 -0.057 0.000 1.327 190 S CA 0.208 58.392 58.200 -0.027 0.000 0.984 190 S CB 0.728 63.905 63.200 -0.038 0.000 0.941 190 S HN 0.954 nan 8.310 nan 0.000 0.576 191 I N 0.793 121.319 120.570 -0.073 0.000 2.226 191 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 191 I C 2.666 178.683 176.117 -0.167 0.000 1.100 191 I CA 1.605 62.832 61.300 -0.120 0.000 1.374 191 I CB -0.972 36.930 38.000 -0.164 0.000 1.057 191 I HN 0.737 nan 8.210 nan 0.000 0.413 192 T N 0.097 114.514 114.554 -0.228 0.000 2.777 192 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 192 T C 1.723 176.232 174.700 -0.318 0.000 1.040 192 T CA 1.328 63.208 62.100 -0.367 0.000 1.141 192 T CB -0.266 68.247 68.868 -0.591 0.000 0.868 192 T HN 0.427 nan 8.240 nan 0.000 0.444 193 E N 1.283 121.348 120.200 -0.225 0.000 2.051 193 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 193 E C 2.516 179.064 176.600 -0.087 0.000 0.991 193 E CA 0.935 57.244 56.400 -0.152 0.000 0.799 193 E CB -0.178 29.475 29.700 -0.079 0.000 0.748 193 E HN 0.549 nan 8.360 nan 0.000 0.449 194 Q N 0.601 120.365 119.800 -0.060 0.000 2.170 194 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 194 Q C 2.398 178.386 176.000 -0.020 0.000 0.976 194 Q CA 0.745 56.539 55.803 -0.015 0.000 0.858 194 Q CB -0.122 28.614 28.738 -0.002 0.000 0.907 194 Q HN 0.325 nan 8.270 nan 0.000 0.433 195 L N 0.490 121.674 121.223 -0.065 0.000 2.017 195 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 195 L C 2.074 178.944 176.870 -0.000 0.000 1.073 195 L CA 1.140 55.955 54.840 -0.041 0.000 0.745 195 L CB -0.137 41.879 42.059 -0.071 0.000 0.894 195 L HN 0.232 nan 8.230 nan 0.000 0.432 196 L N 0.036 121.227 121.223 -0.054 0.000 2.083 196 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 196 L C 2.358 179.305 176.870 0.129 0.000 1.083 196 L CA 1.096 55.938 54.840 0.003 0.000 0.752 196 L CB -0.824 41.153 42.059 -0.137 0.000 0.899 196 L HN 0.407 nan 8.230 nan 0.000 0.433 197 N N 0.323 119.059 118.700 0.059 0.000 2.142 197 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 197 N C 1.937 177.501 175.510 0.090 0.000 1.023 197 N CA 1.475 54.572 53.050 0.080 0.000 0.852 197 N CB -0.302 38.230 38.487 0.074 0.000 0.998 197 N HN 0.290 nan 8.380 nan 0.000 0.424 198 A N 0.983 123.854 122.820 0.084 0.000 1.908 198 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 198 A C 1.060 178.703 177.584 0.099 0.000 1.181 198 A CA 1.095 53.183 52.037 0.085 0.000 0.627 198 A CB -0.564 18.478 19.000 0.071 0.000 0.818 198 A HN 0.442 nan 8.150 nan 0.000 0.445 199 R N -1.598 118.992 120.500 0.150 0.000 3.059 199 R HA -0.151 4.189 4.340 -0.000 0.000 0.251 199 R C 0.062 176.429 176.300 0.112 0.000 0.886 199 R CA 0.145 56.347 56.100 0.171 0.000 0.634 199 R CB -1.870 28.462 30.300 0.053 0.000 1.282 199 R HN 0.902 nan 8.270 nan 0.000 0.487 200 A N 1.492 124.395 122.820 0.137 0.000 2.366 200 A HA 0.151 4.471 4.320 -0.000 0.000 0.249 200 A C 1.000 178.639 177.584 0.092 0.000 1.084 200 A CA 0.022 52.126 52.037 0.111 0.000 0.794 200 A CB 0.339 19.410 19.000 0.120 0.000 1.034 200 A HN 0.624 nan 8.150 nan 0.000 0.491 201 D N -0.466 119.973 120.400 0.065 0.000 2.117 201 D HA -0.037 4.603 4.640 -0.000 0.000 0.197 201 D C 0.100 176.418 176.300 0.031 0.000 0.987 201 D CA 1.633 55.652 54.000 0.032 0.000 0.829 201 D CB 0.020 40.830 40.800 0.017 0.000 0.961 201 D HN 0.205 nan 8.370 nan 0.000 0.460 202 V N 0.680 120.612 119.914 0.029 0.000 2.531 202 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 202 V C -0.376 175.737 176.094 0.031 0.000 1.034 202 V CA -0.473 61.836 62.300 0.015 0.000 0.865 202 V CB 2.198 33.999 31.823 -0.037 0.000 0.995 202 V HN -0.121 nan 8.190 nan 0.000 0.424 203 T N 6.635 121.207 114.554 0.030 0.000 2.965 203 T HA 0.646 4.996 4.350 -0.000 0.000 0.306 203 T C -0.705 173.988 174.700 -0.011 0.000 0.991 203 T CA -0.278 61.833 62.100 0.018 0.000 1.001 203 T CB 0.686 69.565 68.868 0.018 0.000 0.984 203 T HN 0.366 nan 8.240 nan 0.000 0.446 204 L N 2.706 123.946 121.223 0.027 0.000 2.362 204 L HA 0.931 5.271 4.340 -0.000 0.000 0.275 204 L C 0.632 177.570 176.870 0.113 0.000 0.998 204 L CA -0.588 54.314 54.840 0.103 0.000 0.820 204 L CB 1.995 44.183 42.059 0.215 0.000 1.270 204 L HN 0.881 nan 8.230 nan 0.000 0.415 205 G N 1.258 110.135 108.800 0.128 0.000 2.367 205 G HA2 0.445 4.405 3.960 -0.000 0.000 0.272 205 G HA3 0.445 4.405 3.960 -0.000 0.000 0.272 205 G C -0.997 173.939 174.900 0.061 0.000 1.271 205 G CA -0.017 45.158 45.100 0.124 0.000 0.893 205 G HN 0.814 nan 8.290 nan 0.000 0.485 206 G N -2.264 106.560 108.800 0.040 0.000 2.857 206 G HA2 0.660 4.620 3.960 -0.000 0.000 0.217 206 G HA3 0.660 4.620 3.960 -0.000 0.000 0.217 206 G C 1.010 175.904 174.900 -0.009 0.000 1.357 206 G CA 0.550 45.658 45.100 0.013 0.000 1.033 206 G HN 2.400 nan 8.290 nan 0.000 0.571 207 G N -1.961 106.854 108.800 0.026 0.000 2.142 207 G HA2 0.143 4.103 3.960 -0.000 0.000 0.225 207 G HA3 0.143 4.103 3.960 -0.000 0.000 0.225 207 G C 1.145 176.108 174.900 0.105 0.000 1.015 207 G CA 1.042 46.188 45.100 0.077 0.000 0.716 207 G HN 1.593 nan 8.290 nan 0.000 0.508 208 A N 0.048 122.870 122.820 0.003 0.000 1.933 208 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 208 A C 2.224 179.879 177.584 0.119 0.000 1.175 208 A CA 2.395 54.410 52.037 -0.036 0.000 0.628 208 A CB -0.376 18.559 19.000 -0.109 0.000 0.814 208 A HN 0.587 nan 8.150 nan 0.000 0.444 209 K N -0.764 119.697 120.400 0.101 0.000 2.071 209 K HA -0.244 4.076 4.320 -0.000 0.000 0.217 209 K C 1.925 178.604 176.600 0.130 0.000 1.054 209 K CA 2.314 58.662 56.287 0.102 0.000 0.937 209 K CB -0.567 31.988 32.500 0.092 0.000 0.719 209 K HN 0.490 nan 8.250 nan 0.000 0.454 210 T N 0.503 115.161 114.554 0.173 0.000 2.881 210 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 210 T C 1.361 176.086 174.700 0.043 0.000 1.068 210 T CA 1.066 63.230 62.100 0.108 0.000 1.131 210 T CB -0.253 68.670 68.868 0.091 0.000 0.871 210 T HN 0.166 nan 8.240 nan 0.000 0.479 211 F N 1.395 121.319 119.950 -0.043 0.000 2.722 211 F HA 0.187 4.714 4.527 -0.000 0.000 0.298 211 F C 2.254 178.024 175.800 -0.050 0.000 1.175 211 F CA -0.081 57.877 58.000 -0.070 0.000 1.462 211 F CB -0.506 38.430 39.000 -0.107 0.000 1.111 211 F HN 0.152 nan 8.300 nan 0.000 0.592 212 A N -0.836 122.055 122.820 0.118 0.000 2.067 212 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 212 A C 1.199 178.802 177.584 0.032 0.000 1.156 212 A CA 0.187 52.263 52.037 0.065 0.000 0.683 212 A CB -0.414 18.617 19.000 0.052 0.000 0.808 212 A HN 0.277 nan 8.150 nan 0.000 0.455 213 E N 0.527 120.734 120.200 0.011 0.000 2.425 213 E HA 0.280 4.630 4.350 -0.000 0.000 0.258 213 E C -0.063 176.531 176.600 -0.010 0.000 1.151 213 E CA 0.620 57.017 56.400 -0.006 0.000 0.958 213 E CB 0.405 30.091 29.700 -0.025 0.000 0.968 213 E HN 0.443 nan 8.360 nan 0.000 0.451 214 T N -1.884 112.669 114.554 -0.000 0.000 2.841 214 T HA 0.603 4.953 4.350 -0.000 0.000 0.283 214 T C -0.195 174.514 174.700 0.016 0.000 1.000 214 T CA -1.081 61.027 62.100 0.013 0.000 0.977 214 T CB 1.632 70.515 68.868 0.025 0.000 0.979 214 T HN 0.509 nan 8.240 nan 0.000 0.446 215 A N 2.507 125.348 122.820 0.035 0.000 2.531 215 A HA 0.425 4.745 4.320 -0.000 0.000 0.236 215 A C 1.524 179.134 177.584 0.044 0.000 1.062 215 A CA 0.153 52.219 52.037 0.048 0.000 0.760 215 A CB -0.257 18.808 19.000 0.107 0.000 0.995 215 A HN 1.246 nan 8.150 nan 0.000 0.501 216 T N -1.008 113.566 114.554 0.033 0.000 3.107 216 T HA 0.546 4.896 4.350 -0.000 0.000 0.249 216 T C 0.460 175.176 174.700 0.026 0.000 1.096 216 T CA 0.734 62.849 62.100 0.025 0.000 1.012 216 T CB -0.444 68.434 68.868 0.016 0.000 0.977 216 T HN 1.998 nan 8.240 nan 0.000 0.527 217 A N -0.617 122.226 122.820 0.039 0.000 2.428 217 A HA 0.753 5.073 4.320 -0.000 0.000 0.304 217 A C 0.222 177.836 177.584 0.050 0.000 1.085 217 A CA -0.213 51.843 52.037 0.031 0.000 0.605 217 A CB 0.223 19.235 19.000 0.020 0.000 1.393 217 A HN 1.614 nan 8.150 nan 0.000 0.541 218 G N -0.760 108.052 108.800 0.020 0.000 2.795 218 G HA2 0.224 4.184 3.960 -0.000 0.000 0.664 218 G HA3 0.224 4.184 3.960 -0.000 0.000 0.664 218 G C 0.289 175.135 174.900 -0.089 0.000 1.381 218 G CA 0.988 46.094 45.100 0.011 0.000 0.853 218 G HN 2.385 nan 8.290 nan 0.000 0.545 219 E N -0.915 119.110 120.200 -0.292 0.000 2.501 219 E HA -0.061 4.289 4.350 -0.000 0.000 0.203 219 E C 1.004 177.111 176.600 -0.822 0.000 1.072 219 E CA 1.911 57.906 56.400 -0.675 0.000 0.885 219 E CB -0.040 28.992 29.700 -1.113 0.000 0.813 219 E HN 0.552 nan 8.360 nan 0.000 0.556 220 W N 1.218 122.523 121.300 0.009 0.000 2.190 220 W HA 0.246 4.906 4.660 -0.000 0.000 0.337 220 W C 0.026 176.548 176.519 0.004 0.000 0.911 220 W CA -0.837 56.514 57.345 0.010 0.000 1.925 220 W CB -0.454 29.015 29.460 0.015 0.000 1.134 220 W HN 0.152 nan 8.180 nan 0.000 0.536 221 Q N 0.263 120.138 119.800 0.126 0.000 2.369 221 Q HA 0.246 4.586 4.340 -0.000 0.000 0.295 221 Q C 1.531 177.578 176.000 0.078 0.000 1.075 221 Q CA 2.489 58.343 55.803 0.085 0.000 0.941 221 Q CB 0.686 29.445 28.738 0.035 0.000 1.260 221 Q HN 0.427 nan 8.270 nan 0.000 0.417 222 G N 2.563 111.400 108.800 0.063 0.000 2.396 222 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 222 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 222 G C -0.245 174.692 174.900 0.062 0.000 1.069 222 G CA 0.484 45.615 45.100 0.051 0.000 0.633 222 G HN 0.563 nan 8.290 nan 0.000 0.517 223 K N 1.861 122.317 120.400 0.093 0.000 2.107 223 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 223 K C 0.912 177.553 176.600 0.068 0.000 1.012 223 K CA 0.350 56.693 56.287 0.093 0.000 0.920 223 K CB 0.443 33.032 32.500 0.148 0.000 1.033 223 K HN 0.629 nan 8.250 nan 0.000 0.478 224 T N -1.545 113.038 114.554 0.049 0.000 2.882 224 T HA 0.177 4.527 4.350 -0.000 0.000 0.287 224 T C 1.422 176.126 174.700 0.007 0.000 1.014 224 T CA -0.714 61.403 62.100 0.028 0.000 1.049 224 T CB 0.512 69.401 68.868 0.035 0.000 1.001 224 T HN 0.198 nan 8.240 nan 0.000 0.525 225 L N 0.756 121.959 121.223 -0.033 0.000 2.131 225 L HA 0.071 4.411 4.340 -0.000 0.000 0.210 225 L C 2.865 179.755 176.870 0.034 0.000 1.092 225 L CA 1.542 56.318 54.840 -0.107 0.000 0.759 225 L CB -1.206 40.656 42.059 -0.330 0.000 0.903 225 L HN 0.793 nan 8.230 nan 0.000 0.435 226 R N -0.266 120.318 120.500 0.141 0.000 2.075 226 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 226 R C 2.171 178.495 176.300 0.039 0.000 1.126 226 R CA 1.385 57.573 56.100 0.146 0.000 0.963 226 R CB 0.005 30.359 30.300 0.090 0.000 0.858 226 R HN 0.415 nan 8.270 nan 0.000 0.435 227 E N 0.132 120.348 120.200 0.027 0.000 2.047 227 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 227 E C 2.030 178.621 176.600 -0.015 0.000 0.987 227 E CA 1.307 57.719 56.400 0.021 0.000 0.799 227 E CB -0.020 29.706 29.700 0.044 0.000 0.752 227 E HN 0.381 nan 8.360 nan 0.000 0.449 228 Q N 0.579 120.332 119.800 -0.079 0.000 2.152 228 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 228 Q C 1.975 177.802 176.000 -0.290 0.000 0.985 228 Q CA 1.537 57.148 55.803 -0.321 0.000 0.863 228 Q CB -0.126 28.354 28.738 -0.430 0.000 0.904 228 Q HN 0.239 nan 8.270 nan 0.000 0.422 229 A N 0.795 123.542 122.820 -0.122 0.000 1.834 229 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 229 A C 1.987 179.649 177.584 0.129 0.000 1.203 229 A CA 1.837 53.865 52.037 -0.015 0.000 0.621 229 A CB -0.899 18.044 19.000 -0.094 0.000 0.841 229 A HN 0.569 nan 8.150 nan 0.000 0.446 230 Q N -0.917 118.918 119.800 0.058 0.000 2.135 230 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 230 Q C 2.289 178.323 176.000 0.056 0.000 0.981 230 Q CA 1.470 57.311 55.803 0.063 0.000 0.856 230 Q CB -0.390 28.367 28.738 0.032 0.000 0.902 230 Q HN 0.704 nan 8.270 nan 0.000 0.425 231 A N 0.738 123.581 122.820 0.038 0.000 2.019 231 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 231 A C 1.577 179.216 177.584 0.092 0.000 1.164 231 A CA 1.069 53.155 52.037 0.083 0.000 0.644 231 A CB -0.156 18.923 19.000 0.131 0.000 0.805 231 A HN 0.203 nan 8.150 nan 0.000 0.449 232 R N -1.464 119.038 120.500 0.004 0.000 2.388 232 R HA 0.279 4.619 4.340 -0.000 0.000 0.247 232 R C 1.006 177.273 176.300 -0.055 0.000 0.931 232 R CA 0.467 56.562 56.100 -0.008 0.000 1.082 232 R CB 0.078 30.287 30.300 -0.151 0.000 1.135 232 R HN 0.616 nan 8.270 nan 0.000 0.525 233 G N 0.281 109.067 108.800 -0.023 0.000 2.157 233 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.239 233 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.239 233 G C -0.282 174.543 174.900 -0.125 0.000 0.982 233 G CA -0.432 44.622 45.100 -0.077 0.000 0.650 233 G HN 0.268 nan 8.290 nan 0.000 0.527 234 Y N 0.762 121.035 120.300 -0.046 0.000 2.359 234 Y HA 0.438 4.988 4.550 -0.000 0.000 0.330 234 Y C 1.003 176.871 175.900 -0.054 0.000 1.143 234 Y CA 0.343 58.412 58.100 -0.053 0.000 1.318 234 Y CB 0.968 39.389 38.460 -0.065 0.000 1.234 234 Y HN 0.251 nan 8.280 nan 0.000 0.522 235 Q N 4.057 123.926 119.800 0.116 0.000 2.421 235 Q HA 0.375 4.715 4.340 -0.000 0.000 0.242 235 Q C -1.856 174.153 176.000 0.014 0.000 1.024 235 Q CA -0.800 55.028 55.803 0.041 0.000 0.891 235 Q CB 0.271 29.017 28.738 0.015 0.000 1.222 235 Q HN 0.547 nan 8.270 nan 0.000 0.483 236 L N 4.627 125.834 121.223 -0.027 0.000 2.289 236 L HA 0.462 4.802 4.340 -0.000 0.000 0.285 236 L C -0.224 176.577 176.870 -0.114 0.000 1.049 236 L CA -0.382 54.392 54.840 -0.109 0.000 0.804 236 L CB 1.415 43.388 42.059 -0.144 0.000 1.195 236 L HN 0.459 nan 8.230 nan 0.000 0.428 237 V N -0.298 119.512 119.914 -0.172 0.000 3.046 237 V HA 0.910 5.030 4.120 -0.000 0.000 0.316 237 V C 0.221 176.161 176.094 -0.256 0.000 1.104 237 V CA -0.108 62.115 62.300 -0.127 0.000 1.006 237 V CB 1.889 33.700 31.823 -0.021 0.000 1.058 237 V HN 0.755 nan 8.190 nan 0.000 0.440 238 S N -0.980 114.659 115.700 -0.102 0.000 2.911 238 S HA 0.401 4.871 4.470 -0.000 0.000 0.261 238 S C -0.302 174.435 174.600 0.228 0.000 1.021 238 S CA 0.274 58.413 58.200 -0.101 0.000 1.222 238 S CB -0.537 62.608 63.200 -0.091 0.000 1.171 238 S HN 1.289 nan 8.310 nan 0.000 0.669 239 D N -0.641 119.979 120.400 0.367 0.000 2.692 239 D HA 0.685 5.325 4.640 -0.000 0.000 0.290 239 D C 0.919 177.314 176.300 0.157 0.000 1.281 239 D CA -0.315 53.853 54.000 0.279 0.000 0.804 239 D CB 0.676 41.545 40.800 0.115 0.000 1.331 239 D HN 0.014 nan 8.370 nan 0.000 0.432 240 A N 0.186 122.995 122.820 -0.019 0.000 1.902 240 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 240 A C 2.162 179.736 177.584 -0.017 0.000 1.181 240 A CA 2.671 54.659 52.037 -0.081 0.000 0.623 240 A CB -1.385 17.553 19.000 -0.103 0.000 0.818 240 A HN 0.771 nan 8.150 nan 0.000 0.443 241 A N 0.467 123.290 122.820 0.006 0.000 1.851 241 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 241 A C 2.578 180.176 177.584 0.023 0.000 1.195 241 A CA 2.778 54.821 52.037 0.009 0.000 0.622 241 A CB -1.236 17.770 19.000 0.011 0.000 0.831 241 A HN 1.004 nan 8.150 nan 0.000 0.444 242 S N -0.074 115.652 115.700 0.044 0.000 2.356 242 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 242 S C 1.904 176.540 174.600 0.060 0.000 1.032 242 S CA 1.556 59.784 58.200 0.046 0.000 1.005 242 S CB -0.899 62.330 63.200 0.048 0.000 0.867 242 S HN 0.535 nan 8.310 nan 0.000 0.449 243 L N 2.898 124.189 121.223 0.113 0.000 2.012 243 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 243 L C 2.159 179.052 176.870 0.040 0.000 1.073 243 L CA 2.096 57.009 54.840 0.121 0.000 0.748 243 L CB -1.172 41.000 42.059 0.188 0.000 0.891 243 L HN 0.377 nan 8.230 nan 0.000 0.431 244 N N -1.094 117.613 118.700 0.011 0.000 2.573 244 N HA -0.114 4.626 4.740 -0.000 0.000 0.187 244 N C 1.431 176.939 175.510 -0.003 0.000 1.107 244 N CA 1.039 54.083 53.050 -0.010 0.000 0.918 244 N CB 0.154 38.629 38.487 -0.021 0.000 0.966 244 N HN 0.475 nan 8.380 nan 0.000 0.448 245 S N -0.191 115.513 115.700 0.007 0.000 2.421 245 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 245 S C 0.891 175.492 174.600 0.002 0.000 1.035 245 S CA -0.003 58.200 58.200 0.004 0.000 0.953 245 S CB -0.013 63.192 63.200 0.008 0.000 0.810 245 S HN 0.323 nan 8.310 nan 0.000 0.497 246 V N 2.958 122.875 119.914 0.005 0.000 2.644 246 V HA 0.152 4.272 4.120 -0.000 0.000 0.305 246 V C 0.978 177.067 176.094 -0.008 0.000 1.053 246 V CA 0.740 63.040 62.300 -0.000 0.000 1.186 246 V CB 0.210 32.035 31.823 0.003 0.000 0.895 246 V HN 0.463 nan 8.190 nan 0.000 0.490 247 T N 0.849 115.398 114.554 -0.009 0.000 2.985 247 T HA 0.392 4.742 4.350 -0.000 0.000 0.254 247 T C 0.248 174.939 174.700 -0.015 0.000 1.021 247 T CA 0.277 62.370 62.100 -0.011 0.000 0.957 247 T CB -0.135 68.729 68.868 -0.006 0.000 1.047 247 T HN 0.875 nan 8.240 nan 0.000 0.511 248 E N 0.474 120.665 120.200 -0.016 0.000 2.446 248 E HA 0.765 5.115 4.350 -0.000 0.000 0.276 248 E C -1.524 175.063 176.600 -0.023 0.000 0.969 248 E CA -1.535 54.854 56.400 -0.019 0.000 0.800 248 E CB 2.112 31.805 29.700 -0.013 0.000 1.341 248 E HN 0.181 nan 8.360 nan 0.000 0.460 249 A N 1.906 124.710 122.820 -0.027 0.000 2.579 249 A HA 0.559 4.879 4.320 -0.000 0.000 0.288 249 A C -1.470 176.099 177.584 -0.026 0.000 1.079 249 A CA -0.769 51.252 52.037 -0.028 0.000 0.889 249 A CB -0.146 18.831 19.000 -0.038 0.000 1.439 249 A HN 0.694 nan 8.150 nan 0.000 0.399 250 N N 0.457 119.140 118.700 -0.028 0.000 3.204 250 N HA 0.382 5.122 4.740 -0.000 0.000 0.285 250 N C 0.479 175.960 175.510 -0.048 0.000 1.536 250 N CA -0.745 52.290 53.050 -0.025 0.000 0.832 250 N CB 0.369 38.845 38.487 -0.017 0.000 1.645 250 N HN 0.070 nan 8.380 nan 0.000 0.586 251 Q N -0.487 119.288 119.800 -0.042 0.000 2.234 251 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 251 Q C 1.044 176.983 176.000 -0.101 0.000 0.980 251 Q CA 1.852 57.615 55.803 -0.068 0.000 0.869 251 Q CB -0.410 28.306 28.738 -0.036 0.000 0.912 251 Q HN 0.656 nan 8.270 nan 0.000 0.436 252 Q N 0.275 120.032 119.800 -0.073 0.000 2.163 252 Q HA 0.052 4.392 4.340 -0.000 0.000 0.198 252 Q C 0.420 176.363 176.000 -0.095 0.000 0.954 252 Q CA 0.952 56.711 55.803 -0.073 0.000 0.851 252 Q CB 0.362 29.076 28.738 -0.040 0.000 0.928 252 Q HN 0.114 nan 8.270 nan 0.000 0.459 253 K N 1.203 121.552 120.400 -0.085 0.000 3.022 253 K HA 0.254 4.574 4.320 -0.000 0.000 0.178 253 K C -2.619 173.933 176.600 -0.080 0.000 1.089 253 K CA -1.546 54.695 56.287 -0.078 0.000 0.916 253 K CB 1.328 33.805 32.500 -0.039 0.000 1.159 253 K HN 0.071 nan 8.250 nan 0.000 0.592 254 P HA -0.069 nan 4.420 nan 0.000 0.267 254 P C -0.369 176.967 177.300 0.060 0.000 1.209 254 P CA -0.425 62.620 63.100 -0.092 0.000 0.763 254 P CB 0.656 32.186 31.700 -0.282 0.000 0.816 255 L N 5.580 126.840 121.223 0.061 0.000 2.367 255 L HA 0.285 4.625 4.340 -0.000 0.000 0.275 255 L C -0.438 176.475 176.870 0.072 0.000 1.129 255 L CA -0.186 54.688 54.840 0.058 0.000 0.839 255 L CB 0.097 42.166 42.059 0.017 0.000 1.133 255 L HN 0.248 nan 8.230 nan 0.000 0.453 256 L N 5.687 126.910 121.223 0.000 0.000 2.454 256 L HA 0.634 4.974 4.340 -0.000 0.000 0.258 256 L C -0.122 176.572 176.870 -0.295 0.000 1.025 256 L CA -0.067 54.691 54.840 -0.136 0.000 0.901 256 L CB 1.009 42.931 42.059 -0.229 0.000 1.210 256 L HN 0.659 nan 8.230 nan 0.000 0.457 257 G N 5.231 113.829 108.800 -0.336 0.000 2.333 257 G HA2 0.528 4.488 3.960 -0.000 0.000 0.290 257 G HA3 0.528 4.488 3.960 -0.000 0.000 0.290 257 G C -0.798 173.528 174.900 -0.956 0.000 1.150 257 G CA -0.372 44.275 45.100 -0.756 0.000 0.895 257 G HN 0.529 nan 8.290 nan 0.000 0.444 258 L N 3.204 123.815 121.223 -1.019 0.000 2.366 258 L HA 0.316 4.656 4.340 -0.000 0.000 0.266 258 L C -0.180 176.306 176.870 -0.641 0.000 1.010 258 L CA -0.635 53.790 54.840 -0.692 0.000 0.879 258 L CB 0.984 42.699 42.059 -0.574 0.000 1.228 258 L HN 0.550 nan 8.230 nan 0.000 0.439 259 F N 1.524 121.418 119.950 -0.095 0.000 2.693 259 F HA 0.475 5.002 4.527 -0.000 0.000 0.303 259 F C 1.068 176.839 175.800 -0.049 0.000 1.097 259 F CA -0.311 57.649 58.000 -0.066 0.000 1.330 259 F CB 0.310 39.277 39.000 -0.056 0.000 1.067 259 F HN 0.424 nan 8.300 nan 0.000 0.565 260 A N -0.709 122.143 122.820 0.054 0.000 2.599 260 A HA 0.364 4.684 4.320 -0.000 0.000 0.294 260 A C -0.031 177.559 177.584 0.010 0.000 1.055 260 A CA -0.638 51.425 52.037 0.043 0.000 0.683 260 A CB 0.235 19.274 19.000 0.065 0.000 1.278 260 A HN 0.011 nan 8.150 nan 0.000 0.412 261 D N 0.442 120.852 120.400 0.018 0.000 2.097 261 D HA 0.149 4.789 4.640 -0.000 0.000 0.195 261 D C 1.325 177.652 176.300 0.046 0.000 0.989 261 D CA 2.943 56.957 54.000 0.023 0.000 0.827 261 D CB 0.183 40.999 40.800 0.025 0.000 0.966 261 D HN 0.765 nan 8.370 nan 0.000 0.456 262 G N -1.229 107.602 108.800 0.050 0.000 3.341 262 G HA2 0.187 4.147 3.960 -0.000 0.000 0.177 262 G HA3 0.187 4.147 3.960 -0.000 0.000 0.177 262 G C -0.316 174.622 174.900 0.064 0.000 1.236 262 G CA -0.493 44.649 45.100 0.070 0.000 0.888 262 G HN 0.017 nan 8.290 nan 0.000 0.644 263 N N 0.684 119.422 118.700 0.064 0.000 2.508 263 N HA 0.203 4.943 4.740 -0.000 0.000 0.264 263 N C 0.250 175.789 175.510 0.049 0.000 1.216 263 N CA 0.177 53.261 53.050 0.057 0.000 0.943 263 N CB 0.853 39.373 38.487 0.055 0.000 1.113 263 N HN 0.273 nan 8.380 nan 0.000 0.447 264 M N 1.999 121.627 119.600 0.048 0.000 2.226 264 M HA 0.174 4.654 4.480 -0.000 0.000 0.324 264 M C -1.720 174.594 176.300 0.025 0.000 1.112 264 M CA -1.190 54.135 55.300 0.043 0.000 1.176 264 M CB 0.140 32.766 32.600 0.043 0.000 1.430 264 M HN 0.289 nan 8.290 nan 0.000 0.462 265 P HA 0.104 nan 4.420 nan 0.000 0.268 265 P C -0.750 176.553 177.300 0.005 0.000 1.205 265 P CA -0.359 62.751 63.100 0.015 0.000 0.771 265 P CB 0.198 31.908 31.700 0.017 0.000 0.858 266 V N 1.458 121.379 119.914 0.012 0.000 2.924 266 V HA 0.218 4.338 4.120 -0.000 0.000 0.305 266 V C 1.916 178.023 176.094 0.022 0.000 1.073 266 V CA -0.344 61.958 62.300 0.002 0.000 1.098 266 V CB 0.494 32.326 31.823 0.015 0.000 1.000 266 V HN 0.582 nan 8.190 nan 0.000 0.484 267 R N 1.325 121.816 120.500 -0.014 0.000 2.062 267 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 267 R C -0.007 176.478 176.300 0.308 0.000 1.128 267 R CA 0.995 57.112 56.100 0.027 0.000 0.960 267 R CB 0.135 30.305 30.300 -0.216 0.000 0.855 267 R HN 0.748 nan 8.270 nan 0.000 0.432 268 W N 0.219 121.507 121.300 -0.021 0.000 2.719 268 W HA 0.519 5.179 4.660 -0.000 0.000 0.352 268 W C -0.674 175.828 176.519 -0.028 0.000 1.085 268 W CA -0.816 56.515 57.345 -0.023 0.000 1.187 268 W CB 0.638 30.076 29.460 -0.038 0.000 1.417 268 W HN -0.083 nan 8.180 nan 0.000 0.557 269 L N 1.214 122.549 121.223 0.188 0.000 2.354 269 L HA 1.004 5.344 4.340 -0.000 0.000 0.264 269 L C 0.355 177.250 176.870 0.042 0.000 1.008 269 L CA -0.845 54.047 54.840 0.087 0.000 0.819 269 L CB 2.194 44.284 42.059 0.052 0.000 1.339 269 L HN 0.541 nan 8.230 nan 0.000 0.420 270 G N 0.909 109.726 108.800 0.027 0.000 2.523 270 G HA2 0.577 4.537 3.960 -0.000 0.000 0.291 270 G HA3 0.577 4.537 3.960 -0.000 0.000 0.291 270 G C -3.262 171.643 174.900 0.008 0.000 1.450 270 G CA -0.727 44.379 45.100 0.010 0.000 0.790 270 G HN 0.269 nan 8.290 nan 0.000 0.496 271 P HA 0.287 nan 4.420 nan 0.000 0.272 271 P C -0.283 177.017 177.300 -0.001 0.000 1.240 271 P CA -0.438 62.666 63.100 0.008 0.000 0.791 271 P CB 0.738 32.447 31.700 0.016 0.000 0.978 272 K N 1.093 121.488 120.400 -0.009 0.000 2.154 272 K HA 0.512 4.832 4.320 -0.000 0.000 0.264 272 K C -0.232 176.358 176.600 -0.016 0.000 1.008 272 K CA -0.616 55.650 56.287 -0.035 0.000 0.937 272 K CB 0.432 32.911 32.500 -0.036 0.000 1.002 272 K HN 0.518 nan 8.250 nan 0.000 0.469 273 A N 1.978 124.773 122.820 -0.042 0.000 2.425 273 A HA 0.275 4.595 4.320 -0.000 0.000 0.242 273 A C -0.013 177.600 177.584 0.048 0.000 1.077 273 A CA 0.114 52.170 52.037 0.033 0.000 0.781 273 A CB 0.129 19.181 19.000 0.086 0.000 1.020 273 A HN 0.869 nan 8.150 nan 0.000 0.494 274 T N -1.416 113.189 114.554 0.085 0.000 2.838 274 T HA 0.494 4.844 4.350 -0.000 0.000 0.292 274 T C -0.511 174.277 174.700 0.146 0.000 1.113 274 T CA -0.535 61.628 62.100 0.106 0.000 1.008 274 T CB 0.634 69.559 68.868 0.094 0.000 1.259 274 T HN 0.657 nan 8.240 nan 0.000 0.520 275 Y N 1.786 122.107 120.300 0.035 0.000 2.650 275 Y HA 0.131 4.681 4.550 -0.000 0.000 0.331 275 Y C 1.313 177.264 175.900 0.085 0.000 1.165 275 Y CA 0.921 59.024 58.100 0.006 0.000 1.473 275 Y CB -0.737 37.663 38.460 -0.100 0.000 1.224 275 Y HN 0.985 nan 8.280 nan 0.000 0.533 276 H N 2.201 120.994 119.070 -0.462 0.000 2.861 276 H HA -0.240 4.316 4.556 -0.000 0.000 0.289 276 H C 1.542 176.810 175.328 -0.101 0.000 1.176 276 H CA -0.060 55.788 56.048 -0.334 0.000 1.146 276 H CB -1.093 28.441 29.762 -0.379 0.000 1.330 276 H HN 1.015 nan 8.280 nan 0.000 0.379 277 G N 1.535 110.379 108.800 0.073 0.000 2.469 277 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.219 277 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.219 277 G C 1.638 176.567 174.900 0.048 0.000 1.150 277 G CA 1.080 46.223 45.100 0.071 0.000 0.763 277 G HN 0.703 nan 8.290 nan 0.000 0.561 278 N N 0.892 119.610 118.700 0.030 0.000 2.381 278 N HA -0.049 4.691 4.740 -0.000 0.000 0.182 278 N C 1.991 177.497 175.510 -0.007 0.000 1.025 278 N CA 1.211 54.270 53.050 0.014 0.000 0.888 278 N CB -0.233 38.255 38.487 0.003 0.000 0.965 278 N HN 0.480 nan 8.380 nan 0.000 0.438 279 I N 0.406 120.962 120.570 -0.023 0.000 2.729 279 I HA -0.025 4.145 4.170 -0.000 0.000 0.256 279 I C 1.002 177.121 176.117 0.005 0.000 1.115 279 I CA 0.588 61.865 61.300 -0.038 0.000 1.446 279 I CB -0.047 37.883 38.000 -0.117 0.000 1.176 279 I HN -0.153 nan 8.210 nan 0.000 0.446 280 D N 1.279 121.702 120.400 0.039 0.000 2.323 280 D HA 0.071 4.711 4.640 -0.000 0.000 0.209 280 D C 0.458 176.787 176.300 0.048 0.000 0.973 280 D CA 0.829 54.864 54.000 0.058 0.000 0.874 280 D CB 0.243 41.102 40.800 0.098 0.000 0.930 280 D HN 0.297 nan 8.370 nan 0.000 0.521 281 K N 0.334 120.760 120.400 0.042 0.000 2.350 281 K HA 0.503 4.823 4.320 -0.000 0.000 0.241 281 K C -2.603 174.014 176.600 0.030 0.000 0.994 281 K CA -1.834 54.475 56.287 0.037 0.000 0.839 281 K CB 1.762 34.288 32.500 0.044 0.000 1.244 281 K HN -0.237 nan 8.250 nan 0.000 0.443 282 P HA 0.052 nan 4.420 nan 0.000 0.272 282 P C -1.095 176.223 177.300 0.029 0.000 1.230 282 P CA -0.364 62.749 63.100 0.023 0.000 0.788 282 P CB 0.491 32.202 31.700 0.019 0.000 0.949 283 A N 1.534 124.370 122.820 0.027 0.000 2.462 283 A HA 0.332 4.652 4.320 -0.000 0.000 0.243 283 A C -0.059 177.552 177.584 0.045 0.000 1.076 283 A CA -0.120 51.941 52.037 0.039 0.000 0.773 283 A CB -0.182 18.837 19.000 0.032 0.000 1.010 283 A HN 0.362 nan 8.150 nan 0.000 0.493 284 V N 1.834 121.789 119.914 0.068 0.000 2.612 284 V HA 0.515 4.634 4.120 -0.000 0.000 0.301 284 V C 0.375 176.536 176.094 0.111 0.000 1.046 284 V CA -0.290 62.051 62.300 0.069 0.000 0.946 284 V CB 1.833 33.692 31.823 0.061 0.000 1.003 284 V HN 0.918 nan 8.190 nan 0.000 0.459 285 T N 2.857 117.455 114.554 0.072 0.000 2.815 285 T HA 0.278 4.628 4.350 -0.000 0.000 0.289 285 T C -0.129 174.582 174.700 0.019 0.000 1.000 285 T CA -0.295 61.856 62.100 0.086 0.000 0.958 285 T CB 0.675 69.549 68.868 0.010 0.000 0.944 285 T HN 0.767 nan 8.240 nan 0.000 0.442 286 c N 3.837 122.443 118.600 0.009 0.000 2.665 286 c HA 0.437 5.007 4.570 -0.000 0.000 0.416 286 c C 1.483 175.405 174.090 -0.280 0.000 1.305 286 c CA -0.550 55.666 56.329 -0.187 0.000 1.903 286 c CB -0.798 41.475 42.510 -0.396 0.000 2.704 286 c HN 0.952 nan 8.230 nan 0.000 0.629 287 T N 1.225 115.651 114.554 -0.212 0.000 2.829 287 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 287 T C -2.718 171.885 174.700 -0.162 0.000 0.999 287 T CA -1.725 60.265 62.100 -0.183 0.000 0.983 287 T CB 1.665 70.485 68.868 -0.080 0.000 0.968 287 T HN 0.543 nan 8.240 nan 0.000 0.446 288 P HA 0.121 nan 4.420 nan 0.000 0.267 288 P C -0.419 176.915 177.300 0.057 0.000 1.205 288 P CA -0.367 62.736 63.100 0.006 0.000 0.765 288 P CB 0.383 32.091 31.700 0.014 0.000 0.828 289 N N 4.991 123.763 118.700 0.120 0.000 2.427 289 N HA 0.027 4.767 4.740 -0.000 0.000 0.269 289 N C -1.536 174.006 175.510 0.054 0.000 1.235 289 N CA -1.683 51.414 53.050 0.079 0.000 0.934 289 N CB -0.013 38.528 38.487 0.089 0.000 1.121 289 N HN 0.202 nan 8.380 nan 0.000 0.480 290 P HA -0.124 nan 4.420 nan 0.000 0.219 290 P C 0.001 177.315 177.300 0.023 0.000 1.146 290 P CA 1.356 64.470 63.100 0.024 0.000 0.808 290 P CB 0.216 31.926 31.700 0.016 0.000 0.779 291 Q N -0.741 119.074 119.800 0.025 0.000 2.211 291 Q HA 0.121 4.461 4.340 -0.000 0.000 0.231 291 Q C 1.695 177.708 176.000 0.022 0.000 0.865 291 Q CA -0.267 55.548 55.803 0.021 0.000 0.997 291 Q CB 0.066 28.816 28.738 0.019 0.000 1.101 291 Q HN 0.388 nan 8.270 nan 0.000 0.468 292 R N 0.098 120.614 120.500 0.027 0.000 2.115 292 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 292 R C 0.380 176.684 176.300 0.005 0.000 1.111 292 R CA 0.519 56.632 56.100 0.022 0.000 0.976 292 R CB -0.301 30.020 30.300 0.036 0.000 0.870 292 R HN 0.098 nan 8.270 nan 0.000 0.445 293 N N 0.591 119.295 118.700 0.007 0.000 4.257 293 N HA -0.177 4.563 4.740 -0.000 0.000 0.328 293 N C -0.850 174.651 175.510 -0.016 0.000 2.076 293 N CA 1.051 54.100 53.050 -0.002 0.000 3.019 293 N CB -0.361 38.126 38.487 -0.000 0.000 0.311 293 N HN 0.420 nan 8.380 nan 0.000 0.810 294 D N -0.010 120.381 120.400 -0.015 0.000 2.349 294 D HA 0.168 4.808 4.640 -0.000 0.000 0.214 294 D C 1.356 177.636 176.300 -0.033 0.000 1.063 294 D CA 1.107 55.093 54.000 -0.024 0.000 0.847 294 D CB 0.160 40.952 40.800 -0.014 0.000 0.933 294 D HN 0.465 nan 8.370 nan 0.000 0.513 295 S N -1.079 114.605 115.700 -0.027 0.000 2.540 295 S HA 0.199 4.669 4.470 -0.000 0.000 0.218 295 S C 0.279 174.855 174.600 -0.041 0.000 0.977 295 S CA -0.502 57.684 58.200 -0.022 0.000 0.918 295 S CB 0.438 63.638 63.200 0.001 0.000 0.806 295 S HN -0.072 nan 8.310 nan 0.000 0.496 296 V N 3.590 123.460 119.914 -0.073 0.000 2.357 296 V HA 0.470 4.590 4.120 -0.000 0.000 0.284 296 V C -2.640 173.314 176.094 -0.233 0.000 1.018 296 V CA -2.148 60.073 62.300 -0.131 0.000 0.841 296 V CB 1.271 33.055 31.823 -0.065 0.000 0.991 296 V HN 0.170 nan 8.190 nan 0.000 0.437 297 P HA 0.163 nan 4.420 nan 0.000 0.268 297 P C 0.191 177.311 177.300 -0.300 0.000 1.204 297 P CA 0.123 62.966 63.100 -0.428 0.000 0.768 297 P CB 0.302 31.559 31.700 -0.739 0.000 0.842 298 T N 0.275 114.708 114.554 -0.201 0.000 2.874 298 T HA 0.147 4.497 4.350 -0.000 0.000 0.281 298 T C 1.110 175.720 174.700 -0.151 0.000 0.994 298 T CA -0.710 61.301 62.100 -0.148 0.000 1.015 298 T CB 0.420 69.223 68.868 -0.109 0.000 1.028 298 T HN 0.154 nan 8.240 nan 0.000 0.523 299 L N 1.699 122.846 121.223 -0.126 0.000 2.043 299 L HA -0.005 4.335 4.340 -0.000 0.000 0.212 299 L C 2.748 179.548 176.870 -0.116 0.000 1.075 299 L CA 2.518 57.288 54.840 -0.116 0.000 0.752 299 L CB -1.481 40.511 42.059 -0.112 0.000 0.891 299 L HN 0.942 nan 8.230 nan 0.000 0.432 300 A N -1.317 121.435 122.820 -0.112 0.000 1.902 300 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 300 A C 2.174 179.696 177.584 -0.102 0.000 1.181 300 A CA 1.882 53.858 52.037 -0.101 0.000 0.623 300 A CB -0.551 18.397 19.000 -0.087 0.000 0.818 300 A HN 0.689 nan 8.150 nan 0.000 0.443 301 Q N -0.948 118.784 119.800 -0.114 0.000 2.046 301 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 301 Q C 2.249 178.170 176.000 -0.131 0.000 0.975 301 Q CA 1.600 57.331 55.803 -0.120 0.000 0.836 301 Q CB -0.295 28.359 28.738 -0.139 0.000 0.896 301 Q HN 0.703 nan 8.270 nan 0.000 0.428 302 M N -0.008 119.502 119.600 -0.149 0.000 2.159 302 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 302 M C 2.145 178.379 176.300 -0.110 0.000 1.063 302 M CA 1.313 56.537 55.300 -0.125 0.000 1.110 302 M CB -0.468 32.066 32.600 -0.110 0.000 1.374 302 M HN 0.199 nan 8.290 nan 0.000 0.411 303 T N 0.080 114.565 114.554 -0.116 0.000 2.674 303 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 303 T C 1.567 176.176 174.700 -0.152 0.000 1.039 303 T CA 1.456 63.479 62.100 -0.129 0.000 1.150 303 T CB -0.377 68.421 68.868 -0.116 0.000 0.864 303 T HN 0.386 nan 8.240 nan 0.000 0.427 304 D N 0.505 120.829 120.400 -0.127 0.000 2.117 304 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 304 D C 2.261 178.478 176.300 -0.138 0.000 0.987 304 D CA 1.155 55.082 54.000 -0.123 0.000 0.829 304 D CB -0.026 40.724 40.800 -0.083 0.000 0.961 304 D HN 0.119 nan 8.370 nan 0.000 0.460 305 K N 1.082 121.410 120.400 -0.121 0.000 2.002 305 K HA -0.058 4.261 4.320 -0.000 0.000 0.209 305 K C 1.922 178.432 176.600 -0.150 0.000 1.048 305 K CA 1.647 57.868 56.287 -0.110 0.000 0.930 305 K CB -0.816 31.636 32.500 -0.080 0.000 0.714 305 K HN 0.030 nan 8.250 nan 0.000 0.438 306 A N 0.963 123.684 122.820 -0.165 0.000 1.903 306 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 306 A C 2.317 179.677 177.584 -0.374 0.000 1.191 306 A CA 2.162 54.067 52.037 -0.221 0.000 0.638 306 A CB -0.911 17.970 19.000 -0.198 0.000 0.823 306 A HN 0.390 nan 8.150 nan 0.000 0.451 307 I N -0.759 119.558 120.570 -0.420 0.000 2.208 307 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 307 I C 2.586 178.414 176.117 -0.481 0.000 1.097 307 I CA 1.827 62.747 61.300 -0.633 0.000 1.363 307 I CB -0.439 37.179 38.000 -0.636 0.000 1.051 307 I HN 0.602 nan 8.210 nan 0.000 0.413 308 E N 1.672 121.708 120.200 -0.274 0.000 2.023 308 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 308 E C 2.361 178.869 176.600 -0.154 0.000 1.003 308 E CA 1.472 57.781 56.400 -0.152 0.000 0.809 308 E CB -0.113 29.531 29.700 -0.093 0.000 0.755 308 E HN 0.447 nan 8.360 nan 0.000 0.449 309 L N 0.565 121.686 121.223 -0.170 0.000 2.131 309 L HA -0.171 4.168 4.340 -0.000 0.000 0.210 309 L C 2.507 179.269 176.870 -0.181 0.000 1.092 309 L CA 0.714 55.470 54.840 -0.140 0.000 0.759 309 L CB -0.292 41.697 42.059 -0.116 0.000 0.903 309 L HN 0.263 nan 8.230 nan 0.000 0.435 310 L N -0.876 120.135 121.223 -0.354 0.000 2.307 310 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 310 L C 2.634 179.322 176.870 -0.303 0.000 1.099 310 L CA 0.791 55.358 54.840 -0.455 0.000 0.816 310 L CB -0.351 41.133 42.059 -0.958 0.000 0.952 310 L HN 0.287 nan 8.230 nan 0.000 0.455 311 S N -0.730 114.815 115.700 -0.258 0.000 2.515 311 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 311 S C 1.682 176.381 174.600 0.164 0.000 0.987 311 S CA 0.359 58.665 58.200 0.177 0.000 0.936 311 S CB -0.228 63.138 63.200 0.278 0.000 0.766 311 S HN 0.364 nan 8.310 nan 0.000 0.528 312 K N 1.525 121.964 120.400 0.064 0.000 2.439 312 K HA 0.092 4.412 4.320 -0.000 0.000 0.197 312 K C 0.518 177.165 176.600 0.078 0.000 1.041 312 K CA 0.177 56.502 56.287 0.063 0.000 0.970 312 K CB -0.189 32.325 32.500 0.024 0.000 0.773 312 K HN 0.313 nan 8.250 nan 0.000 0.479 313 N N 2.232 120.995 118.700 0.105 0.000 2.415 313 N HA -0.062 4.678 4.740 -0.000 0.000 0.250 313 N C 0.437 176.025 175.510 0.131 0.000 1.127 313 N CA 0.324 53.441 53.050 0.111 0.000 0.945 313 N CB 1.170 39.737 38.487 0.133 0.000 1.196 313 N HN 0.104 nan 8.380 nan 0.000 0.499 314 E N 3.053 123.310 120.200 0.094 0.000 2.209 314 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 314 E C 1.206 177.853 176.600 0.079 0.000 0.993 314 E CA 1.061 57.511 56.400 0.084 0.000 0.819 314 E CB 0.288 30.023 29.700 0.058 0.000 0.745 314 E HN 0.383 nan 8.360 nan 0.000 0.477 315 K N -0.130 120.317 120.400 0.078 0.000 2.002 315 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 315 K C 0.840 177.482 176.600 0.071 0.000 1.048 315 K CA 1.443 57.770 56.287 0.066 0.000 0.930 315 K CB -0.129 32.410 32.500 0.065 0.000 0.714 315 K HN 0.297 nan 8.250 nan 0.000 0.438 316 G N -0.756 108.112 108.800 0.113 0.000 2.369 316 G HA2 0.254 4.214 3.960 -0.000 0.000 0.307 316 G HA3 0.254 4.214 3.960 -0.000 0.000 0.307 316 G C -1.464 173.555 174.900 0.199 0.000 1.327 316 G CA -0.419 44.737 45.100 0.094 0.000 0.963 316 G HN 0.207 nan 8.290 nan 0.000 0.590 317 F N -1.780 118.229 119.950 0.098 0.000 2.686 317 F HA 0.872 5.399 4.527 -0.000 0.000 0.311 317 F C -1.648 174.239 175.800 0.145 0.000 1.128 317 F CA -2.282 55.780 58.000 0.103 0.000 0.946 317 F CB 1.634 40.664 39.000 0.050 0.000 1.336 317 F HN 0.865 nan 8.300 nan 0.000 0.457 318 F N 3.991 124.136 119.950 0.325 0.000 2.493 318 F HA 0.801 5.328 4.527 -0.000 0.000 0.329 318 F C -2.115 173.864 175.800 0.299 0.000 1.126 318 F CA -1.154 56.971 58.000 0.207 0.000 0.937 318 F CB 1.675 40.739 39.000 0.107 0.000 1.146 318 F HN 0.738 nan 8.300 nan 0.000 0.442 319 L N 6.135 126.995 121.223 -0.605 0.000 2.410 319 L HA 0.511 4.851 4.340 -0.000 0.000 0.270 319 L C -1.468 174.977 176.870 -0.707 0.000 0.983 319 L CA -0.296 54.259 54.840 -0.476 0.000 0.822 319 L CB 2.004 44.004 42.059 -0.099 0.000 1.285 319 L HN 0.767 nan 8.230 nan 0.000 0.409 320 Q N 3.962 123.488 119.800 -0.457 0.000 2.331 320 Q HA 0.717 5.057 4.340 -0.000 0.000 0.267 320 Q C -1.985 173.955 176.000 -0.100 0.000 1.006 320 Q CA -0.730 54.938 55.803 -0.226 0.000 0.818 320 Q CB 1.958 30.725 28.738 0.048 0.000 1.276 320 Q HN 0.618 nan 8.270 nan 0.000 0.450 321 V N 3.961 123.814 119.914 -0.101 0.000 2.448 321 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 321 V C -0.628 175.428 176.094 -0.064 0.000 1.025 321 V CA -0.671 61.582 62.300 -0.078 0.000 0.859 321 V CB 1.578 33.340 31.823 -0.102 0.000 0.988 321 V HN 0.832 nan 8.190 nan 0.000 0.431 322 E N 3.202 123.382 120.200 -0.033 0.000 2.176 322 E HA 0.598 4.947 4.350 -0.000 0.000 0.267 322 E C -0.029 176.546 176.600 -0.042 0.000 0.893 322 E CA -0.674 55.710 56.400 -0.026 0.000 0.761 322 E CB 1.937 31.657 29.700 0.034 0.000 1.133 322 E HN 0.822 nan 8.360 nan 0.000 0.409 323 G N 3.116 111.874 108.800 -0.070 0.000 2.857 323 G HA2 0.399 4.359 3.960 -0.000 0.000 0.326 323 G HA3 0.399 4.359 3.960 -0.000 0.000 0.326 323 G C 0.568 175.436 174.900 -0.054 0.000 0.950 323 G CA 0.224 45.274 45.100 -0.083 0.000 1.400 323 G HN 0.589 nan 8.290 nan 0.000 0.473 324 A N 2.133 124.941 122.820 -0.019 0.000 1.872 324 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 324 A C 2.439 180.036 177.584 0.022 0.000 1.187 324 A CA 1.700 53.747 52.037 0.017 0.000 0.614 324 A CB -0.257 18.767 19.000 0.041 0.000 0.826 324 A HN 0.491 nan 8.150 nan 0.000 0.442 325 S N -0.051 115.650 115.700 0.000 0.000 2.595 325 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 325 S C 1.444 176.029 174.600 -0.024 0.000 0.974 325 S CA 0.551 58.753 58.200 0.002 0.000 0.942 325 S CB -0.578 62.616 63.200 -0.009 0.000 0.766 325 S HN 0.520 nan 8.310 nan 0.000 0.536 326 I N 1.208 121.748 120.570 -0.050 0.000 2.202 326 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 326 I C 2.388 178.455 176.117 -0.084 0.000 1.091 326 I CA 1.418 62.669 61.300 -0.082 0.000 1.368 326 I CB -0.350 37.589 38.000 -0.102 0.000 1.058 326 I HN 0.261 nan 8.210 nan 0.000 0.410 327 D N 1.183 121.567 120.400 -0.026 0.000 2.084 327 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 327 D C 2.149 178.523 176.300 0.124 0.000 0.990 327 D CA 1.611 55.632 54.000 0.035 0.000 0.826 327 D CB 0.103 41.035 40.800 0.220 0.000 0.971 327 D HN 0.132 nan 8.370 nan 0.000 0.453 328 K N -0.396 120.119 120.400 0.191 0.000 2.032 328 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 328 K C 2.356 179.027 176.600 0.119 0.000 1.048 328 K CA 1.148 57.567 56.287 0.220 0.000 0.927 328 K CB -0.116 32.459 32.500 0.126 0.000 0.712 328 K HN 0.222 nan 8.250 nan 0.000 0.441 329 Q N 0.855 120.667 119.800 0.021 0.000 2.167 329 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 329 Q C 1.744 177.695 176.000 -0.081 0.000 0.970 329 Q CA 1.145 56.934 55.803 -0.024 0.000 0.855 329 Q CB -0.230 28.489 28.738 -0.032 0.000 0.911 329 Q HN 0.348 nan 8.270 nan 0.000 0.438 330 D N -0.112 120.189 120.400 -0.165 0.000 2.144 330 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 330 D C 1.660 177.826 176.300 -0.225 0.000 0.978 330 D CA 0.848 54.674 54.000 -0.290 0.000 0.833 330 D CB 0.180 40.469 40.800 -0.853 0.000 0.961 330 D HN 0.326 nan 8.370 nan 0.000 0.470 331 H N -0.174 118.857 119.070 -0.064 0.000 2.389 331 H HA 0.039 4.594 4.556 -0.000 0.000 0.299 331 H C 1.455 176.792 175.328 0.014 0.000 1.081 331 H CA 1.258 57.390 56.048 0.141 0.000 1.345 331 H CB 0.062 29.935 29.762 0.184 0.000 1.393 331 H HN 0.118 nan 8.280 nan 0.000 0.520 332 A N 0.395 123.250 122.820 0.059 0.000 2.302 332 A HA 0.421 4.741 4.320 -0.000 0.000 0.219 332 A C 1.398 178.867 177.584 -0.191 0.000 1.243 332 A CA 0.608 52.625 52.037 -0.033 0.000 0.856 332 A CB -0.424 18.566 19.000 -0.016 0.000 0.893 332 A HN 0.383 nan 8.150 nan 0.000 0.491 333 A N 0.214 122.791 122.820 -0.404 0.000 2.640 333 A HA -0.195 4.125 4.320 -0.000 0.000 0.300 333 A C 0.245 177.432 177.584 -0.663 0.000 1.499 333 A CA 0.992 52.415 52.037 -1.023 0.000 0.759 333 A CB -2.148 16.433 19.000 -0.697 0.000 1.048 333 A HN 0.614 nan 8.150 nan 0.000 0.450 334 N N -0.445 118.027 118.700 -0.379 0.000 2.696 334 N HA 0.389 5.129 4.740 -0.000 0.000 0.246 334 N C -1.839 173.646 175.510 -0.042 0.000 1.057 334 N CA -1.797 51.162 53.050 -0.152 0.000 0.867 334 N CB 1.255 39.694 38.487 -0.080 0.000 1.141 334 N HN 0.042 nan 8.380 nan 0.000 0.517 335 P HA -0.143 nan 4.420 nan 0.000 0.215 335 P C 1.290 178.603 177.300 0.023 0.000 1.163 335 P CA 1.313 64.476 63.100 0.105 0.000 0.894 335 P CB 0.383 32.154 31.700 0.117 0.000 0.791 336 c N -1.262 117.341 118.600 0.004 0.000 2.429 336 c HA -0.055 4.515 4.570 -0.000 0.000 0.277 336 c C 2.952 177.117 174.090 0.126 0.000 1.262 336 c CA 1.543 57.902 56.329 0.051 0.000 1.733 336 c CB -2.047 40.488 42.510 0.042 0.000 2.010 336 c HN 0.331 nan 8.230 nan 0.000 0.483 337 G N -0.781 108.057 108.800 0.063 0.000 2.421 337 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 337 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 337 G C 1.557 176.443 174.900 -0.024 0.000 1.171 337 G CA 0.962 46.083 45.100 0.035 0.000 0.775 337 G HN 0.675 nan 8.290 nan 0.000 0.543 338 Q N -0.085 119.702 119.800 -0.021 0.000 2.030 338 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 338 Q C 2.609 178.563 176.000 -0.078 0.000 0.986 338 Q CA 1.442 57.219 55.803 -0.043 0.000 0.843 338 Q CB -0.236 28.507 28.738 0.007 0.000 0.904 338 Q HN 0.551 nan 8.270 nan 0.000 0.420 339 I N 0.279 120.816 120.570 -0.055 0.000 2.226 339 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 339 I C 2.383 178.307 176.117 -0.320 0.000 1.100 339 I CA 1.044 62.291 61.300 -0.088 0.000 1.374 339 I CB -0.691 37.300 38.000 -0.014 0.000 1.057 339 I HN 0.392 nan 8.210 nan 0.000 0.413 340 G N 0.547 109.093 108.800 -0.423 0.000 2.442 340 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 340 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 340 G C 1.510 176.018 174.900 -0.654 0.000 1.141 340 G CA 0.598 45.086 45.100 -1.020 0.000 0.763 340 G HN 0.296 nan 8.290 nan 0.000 0.554 341 E N 0.348 120.337 120.200 -0.353 0.000 2.274 341 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 341 E C 2.627 179.067 176.600 -0.266 0.000 0.996 341 E CA 0.890 57.133 56.400 -0.261 0.000 0.840 341 E CB -0.400 29.204 29.700 -0.161 0.000 0.772 341 E HN 0.373 nan 8.360 nan 0.000 0.491 342 T N 0.631 115.018 114.554 -0.279 0.000 2.851 342 T HA -0.031 4.319 4.350 -0.000 0.000 0.262 342 T C 2.164 176.634 174.700 -0.383 0.000 1.043 342 T CA 0.654 62.579 62.100 -0.292 0.000 1.140 342 T CB -0.105 68.634 68.868 -0.214 0.000 0.872 342 T HN -0.039 nan 8.240 nan 0.000 0.446 343 V N 2.157 121.856 119.914 -0.358 0.000 2.343 343 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 343 V C 2.485 178.402 176.094 -0.295 0.000 1.051 343 V CA 1.941 64.065 62.300 -0.293 0.000 1.036 343 V CB -0.597 30.977 31.823 -0.414 0.000 0.654 343 V HN 0.447 nan 8.190 nan 0.000 0.451 344 D N -0.068 120.132 120.400 -0.333 0.000 2.092 344 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 344 D C 1.976 178.143 176.300 -0.221 0.000 0.994 344 D CA 1.556 55.405 54.000 -0.252 0.000 0.828 344 D CB -0.261 40.393 40.800 -0.243 0.000 0.963 344 D HN 0.281 nan 8.370 nan 0.000 0.450 345 L N 0.646 121.720 121.223 -0.248 0.000 2.079 345 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 345 L C 1.746 178.459 176.870 -0.262 0.000 1.081 345 L CA 2.093 56.792 54.840 -0.236 0.000 0.752 345 L CB -0.853 41.057 42.059 -0.247 0.000 0.896 345 L HN 0.067 nan 8.230 nan 0.000 0.433 346 D N -1.032 119.162 120.400 -0.344 0.000 2.178 346 D HA -0.216 4.424 4.640 -0.000 0.000 0.201 346 D C 1.903 178.082 176.300 -0.201 0.000 0.980 346 D CA 1.414 55.203 54.000 -0.352 0.000 0.842 346 D CB 0.058 40.561 40.800 -0.495 0.000 0.948 346 D HN 0.568 nan 8.370 nan 0.000 0.472 347 E N 0.089 120.194 120.200 -0.160 0.000 2.047 347 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 347 E C 2.265 178.802 176.600 -0.104 0.000 0.987 347 E CA 0.929 57.265 56.400 -0.105 0.000 0.799 347 E CB -0.238 29.407 29.700 -0.091 0.000 0.752 347 E HN 0.370 nan 8.360 nan 0.000 0.449 348 A N 1.327 124.074 122.820 -0.122 0.000 1.940 348 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 348 A C 2.522 180.044 177.584 -0.103 0.000 1.176 348 A CA 1.166 53.137 52.037 -0.110 0.000 0.631 348 A CB -0.654 18.274 19.000 -0.121 0.000 0.814 348 A HN 0.112 nan 8.150 nan 0.000 0.446 349 V N -0.123 119.716 119.914 -0.126 0.000 2.427 349 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 349 V C 2.584 178.625 176.094 -0.089 0.000 1.051 349 V CA 2.142 64.371 62.300 -0.117 0.000 1.048 349 V CB -0.861 30.866 31.823 -0.160 0.000 0.666 349 V HN 0.642 nan 8.190 nan 0.000 0.456 350 Q N -0.608 119.138 119.800 -0.089 0.000 2.079 350 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 350 Q C 2.575 178.556 176.000 -0.031 0.000 0.974 350 Q CA 1.115 56.880 55.803 -0.063 0.000 0.840 350 Q CB -0.186 28.520 28.738 -0.055 0.000 0.898 350 Q HN 0.483 nan 8.270 nan 0.000 0.430 351 R N 0.528 121.010 120.500 -0.030 0.000 2.073 351 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 351 R C 2.207 178.533 176.300 0.044 0.000 1.134 351 R CA 1.399 57.497 56.100 -0.002 0.000 0.952 351 R CB -1.101 29.179 30.300 -0.033 0.000 0.850 351 R HN 0.277 nan 8.270 nan 0.000 0.433 352 A N 1.398 124.229 122.820 0.018 0.000 1.883 352 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 352 A C 2.463 180.134 177.584 0.145 0.000 1.186 352 A CA 1.395 53.477 52.037 0.076 0.000 0.624 352 A CB -0.707 18.305 19.000 0.020 0.000 0.822 352 A HN 0.211 nan 8.150 nan 0.000 0.444 353 L N -1.105 120.142 121.223 0.040 0.000 2.056 353 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 353 L C 2.636 179.495 176.870 -0.019 0.000 1.078 353 L CA 1.637 56.455 54.840 -0.036 0.000 0.749 353 L CB -0.591 41.381 42.059 -0.145 0.000 0.901 353 L HN 0.483 nan 8.230 nan 0.000 0.433 354 E N -0.262 119.951 120.200 0.021 0.000 2.058 354 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 354 E C 1.963 178.616 176.600 0.089 0.000 0.997 354 E CA 1.753 58.173 56.400 0.034 0.000 0.801 354 E CB -0.212 29.514 29.700 0.043 0.000 0.746 354 E HN 0.392 nan 8.360 nan 0.000 0.450 355 F N 1.260 121.218 119.950 0.014 0.000 2.102 355 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 355 F C 2.154 177.997 175.800 0.072 0.000 1.105 355 F CA 1.514 59.542 58.000 0.047 0.000 1.239 355 F CB -0.375 38.664 39.000 0.065 0.000 0.991 355 F HN -0.029 nan 8.300 nan 0.000 0.474 356 A N 0.624 123.531 122.820 0.144 0.000 1.908 356 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 356 A C 2.365 179.998 177.584 0.080 0.000 1.181 356 A CA 1.988 54.083 52.037 0.096 0.000 0.627 356 A CB -0.980 18.225 19.000 0.342 0.000 0.818 356 A HN 0.513 nan 8.150 nan 0.000 0.445 357 K N -0.659 119.790 120.400 0.081 0.000 2.097 357 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 357 K C 1.943 178.538 176.600 -0.008 0.000 1.049 357 K CA 1.349 57.688 56.287 0.088 0.000 0.933 357 K CB -0.101 32.390 32.500 -0.016 0.000 0.717 357 K HN 0.255 nan 8.250 nan 0.000 0.442 358 K N 0.866 121.209 120.400 -0.095 0.000 1.991 358 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 358 K C 2.015 178.504 176.600 -0.186 0.000 1.045 358 K CA 0.952 57.163 56.287 -0.127 0.000 0.937 358 K CB -0.280 32.139 32.500 -0.134 0.000 0.720 358 K HN 0.207 nan 8.250 nan 0.000 0.438 359 E N 0.295 120.274 120.200 -0.369 0.000 2.160 359 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 359 E C 1.097 177.584 176.600 -0.189 0.000 0.991 359 E CA 1.313 57.496 56.400 -0.361 0.000 0.810 359 E CB -0.061 29.218 29.700 -0.700 0.000 0.742 359 E HN 0.527 nan 8.360 nan 0.000 0.466 360 G N 0.846 109.562 108.800 -0.140 0.000 2.220 360 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.269 360 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.269 360 G C 0.602 175.442 174.900 -0.100 0.000 0.977 360 G CA 0.649 45.697 45.100 -0.087 0.000 0.634 360 G HN 0.361 nan 8.290 nan 0.000 0.539 361 N N 0.462 119.100 118.700 -0.104 0.000 2.517 361 N HA 0.183 4.923 4.740 -0.000 0.000 0.285 361 N C -0.610 174.851 175.510 -0.082 0.000 1.528 361 N CA 0.204 53.201 53.050 -0.090 0.000 0.892 361 N CB 1.163 39.610 38.487 -0.067 0.000 1.356 361 N HN 0.257 nan 8.380 nan 0.000 0.495 362 T N 1.332 115.842 114.554 -0.074 0.000 2.807 362 T HA 0.357 4.707 4.350 -0.000 0.000 0.279 362 T C -0.453 174.232 174.700 -0.024 0.000 0.993 362 T CA -0.436 61.650 62.100 -0.023 0.000 0.970 362 T CB 2.065 70.993 68.868 0.100 0.000 0.950 362 T HN 0.020 nan 8.240 nan 0.000 0.441 363 L N 5.325 126.537 121.223 -0.018 0.000 2.265 363 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 363 L C -0.935 175.958 176.870 0.039 0.000 1.033 363 L CA -0.335 54.499 54.840 -0.009 0.000 0.814 363 L CB 0.635 42.697 42.059 0.006 0.000 1.203 363 L HN 0.419 nan 8.230 nan 0.000 0.423 364 V N 6.839 126.807 119.914 0.089 0.000 2.435 364 V HA 0.525 4.645 4.120 -0.000 0.000 0.290 364 V C 0.093 176.214 176.094 0.046 0.000 1.030 364 V CA -0.430 61.922 62.300 0.088 0.000 0.881 364 V CB 1.559 33.476 31.823 0.156 0.000 0.983 364 V HN 0.627 nan 8.190 nan 0.000 0.445 365 I N 4.562 125.124 120.570 -0.013 0.000 2.498 365 I HA 0.549 4.718 4.170 -0.000 0.000 0.290 365 I C -0.962 175.088 176.117 -0.111 0.000 1.032 365 I CA -0.814 60.454 61.300 -0.054 0.000 1.073 365 I CB 2.313 40.276 38.000 -0.061 0.000 1.251 365 I HN 0.267 nan 8.210 nan 0.000 0.426 366 V N 4.872 124.709 119.914 -0.128 0.000 2.444 366 V HA 0.699 4.819 4.120 -0.000 0.000 0.294 366 V C -0.119 175.847 176.094 -0.214 0.000 1.022 366 V CA -0.193 62.007 62.300 -0.167 0.000 0.850 366 V CB 1.705 33.443 31.823 -0.143 0.000 0.992 366 V HN 0.913 nan 8.190 nan 0.000 0.426 367 T N 2.879 117.278 114.554 -0.259 0.000 2.647 367 T HA 0.853 5.203 4.350 -0.000 0.000 0.302 367 T C -1.491 173.054 174.700 -0.259 0.000 1.389 367 T CA 0.390 62.310 62.100 -0.301 0.000 1.037 367 T CB 1.778 70.367 68.868 -0.465 0.000 1.755 367 T HN 1.152 nan 8.240 nan 0.000 0.467 368 A N 0.333 123.029 122.820 -0.206 0.000 2.566 368 A HA 0.675 4.995 4.320 -0.000 0.000 0.292 368 A C 0.314 177.866 177.584 -0.053 0.000 1.112 368 A CA 0.168 52.105 52.037 -0.166 0.000 0.707 368 A CB 1.255 20.157 19.000 -0.164 0.000 1.302 368 A HN 0.860 nan 8.150 nan 0.000 0.409 369 D N -0.345 119.993 120.400 -0.103 0.000 2.162 369 D HA 0.115 4.755 4.640 -0.000 0.000 0.203 369 D C 0.505 176.695 176.300 -0.183 0.000 0.967 369 D CA 2.103 56.161 54.000 0.096 0.000 0.840 369 D CB -0.315 40.592 40.800 0.179 0.000 0.972 369 D HN 0.843 nan 8.370 nan 0.000 0.482 370 H N -2.698 116.205 119.070 -0.278 0.000 2.950 370 H HA 0.697 5.253 4.556 -0.000 0.000 0.307 370 H C -1.335 173.782 175.328 -0.351 0.000 1.403 370 H CA -0.931 54.684 56.048 -0.722 0.000 1.145 370 H CB 0.617 30.043 29.762 -0.561 0.000 1.844 370 H HN 0.088 nan 8.280 nan 0.000 0.515 371 A N 0.567 123.385 122.820 -0.004 0.000 2.272 371 A HA 0.489 4.808 4.320 -0.000 0.000 0.275 371 A C -0.403 177.291 177.584 0.184 0.000 1.096 371 A CA -0.207 51.907 52.037 0.129 0.000 0.822 371 A CB 0.355 19.468 19.000 0.187 0.000 1.088 371 A HN 0.770 nan 8.150 nan 0.000 0.495 372 H N -1.418 117.710 119.070 0.097 0.000 3.196 372 H HA 0.628 5.184 4.556 -0.000 0.000 0.303 372 H C 1.160 176.533 175.328 0.076 0.000 1.605 372 H CA 0.178 56.280 56.048 0.090 0.000 1.351 372 H CB 1.970 31.754 29.762 0.037 0.000 1.860 372 H HN 0.606 nan 8.280 nan 0.000 0.697 373 A N 0.310 123.375 122.820 0.408 0.000 1.898 373 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 373 A C 0.914 178.527 177.584 0.049 0.000 1.183 373 A CA 0.899 53.083 52.037 0.244 0.000 0.622 373 A CB -0.771 18.441 19.000 0.354 0.000 0.824 373 A HN 0.600 nan 8.150 nan 0.000 0.444 374 S N 0.391 116.054 115.700 -0.063 0.000 2.593 374 S HA 0.212 4.682 4.470 -0.000 0.000 0.300 374 S C -0.272 174.177 174.600 -0.252 0.000 1.267 374 S CA 0.044 57.951 58.200 -0.487 0.000 1.065 374 S CB 0.132 63.087 63.200 -0.408 0.000 0.807 374 S HN 0.523 nan 8.310 nan 0.000 0.499 375 Q N 1.865 121.488 119.800 -0.295 0.000 2.359 375 Q HA 0.511 4.851 4.340 -0.000 0.000 0.274 375 Q C -0.925 175.004 176.000 -0.119 0.000 1.074 375 Q CA -0.666 55.055 55.803 -0.136 0.000 0.810 375 Q CB 2.212 30.900 28.738 -0.083 0.000 1.342 375 Q HN 0.758 nan 8.270 nan 0.000 0.427 376 I N 2.812 123.349 120.570 -0.056 0.000 2.325 376 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 376 I C 0.146 176.251 176.117 -0.019 0.000 1.019 376 I CA -0.579 60.705 61.300 -0.027 0.000 1.302 376 I CB 0.622 38.622 38.000 0.000 0.000 1.401 376 I HN 0.328 nan 8.210 nan 0.000 0.485 377 V N 3.014 122.918 119.914 -0.016 0.000 3.155 377 V HA 0.843 4.963 4.120 -0.000 0.000 0.313 377 V C 0.246 176.337 176.094 -0.006 0.000 1.162 377 V CA -1.170 61.124 62.300 -0.011 0.000 1.048 377 V CB 1.479 33.293 31.823 -0.015 0.000 1.092 377 V HN 0.732 nan 8.190 nan 0.000 0.447 378 A N 0.947 123.763 122.820 -0.008 0.000 2.498 378 A HA 0.501 4.821 4.320 -0.000 0.000 0.239 378 A C -1.257 176.320 177.584 -0.012 0.000 1.068 378 A CA -0.425 51.607 52.037 -0.009 0.000 0.766 378 A CB -0.479 18.514 19.000 -0.011 0.000 1.003 378 A HN 0.844 nan 8.150 nan 0.000 0.497 379 P HA -0.209 nan 4.420 nan 0.000 0.216 379 P C 0.719 178.004 177.300 -0.025 0.000 1.157 379 P CA 1.823 64.917 63.100 -0.011 0.000 0.880 379 P CB 0.013 31.708 31.700 -0.008 0.000 0.791 380 D N -2.212 118.169 120.400 -0.032 0.000 2.336 380 D HA -0.035 4.605 4.640 -0.000 0.000 0.229 380 D C -0.132 176.126 176.300 -0.069 0.000 1.061 380 D CA 0.326 54.296 54.000 -0.050 0.000 0.875 380 D CB -1.360 39.415 40.800 -0.042 0.000 0.904 380 D HN 0.041 nan 8.370 nan 0.000 0.525 381 T N 1.259 115.779 114.554 -0.057 0.000 2.905 381 T HA -0.059 4.291 4.350 -0.000 0.000 0.299 381 T C 0.368 175.000 174.700 -0.113 0.000 1.024 381 T CA 0.212 62.275 62.100 -0.062 0.000 1.151 381 T CB 0.850 69.696 68.868 -0.035 0.000 0.987 381 T HN 0.148 nan 8.240 nan 0.000 0.535 382 K N 2.411 122.739 120.400 -0.121 0.000 2.499 382 K HA 0.545 4.865 4.320 -0.000 0.000 0.215 382 K C -0.314 176.261 176.600 -0.041 0.000 1.041 382 K CA -0.552 55.609 56.287 -0.210 0.000 1.031 382 K CB 0.180 32.538 32.500 -0.236 0.000 1.479 382 K HN 0.680 nan 8.250 nan 0.000 0.518 383 A N 2.752 125.572 122.820 -0.000 0.000 2.279 383 A HA 0.459 4.779 4.320 -0.000 0.000 0.303 383 A C -1.666 175.982 177.584 0.107 0.000 1.108 383 A CA -1.303 50.768 52.037 0.058 0.000 0.830 383 A CB 0.329 19.358 19.000 0.047 0.000 1.106 383 A HN 0.603 nan 8.150 nan 0.000 0.493 384 P HA 0.050 nan 4.420 nan 0.000 0.236 384 P C 0.893 178.344 177.300 0.251 0.000 1.177 384 P CA 1.224 64.464 63.100 0.233 0.000 0.773 384 P CB 0.296 32.095 31.700 0.164 0.000 0.878 385 G N 0.455 109.365 108.800 0.183 0.000 3.022 385 G HA2 0.504 4.464 3.960 -0.000 0.000 0.157 385 G HA3 0.504 4.464 3.960 -0.000 0.000 0.157 385 G C -0.627 174.394 174.900 0.203 0.000 1.468 385 G CA -0.548 44.666 45.100 0.190 0.000 1.058 385 G HN 0.051 nan 8.290 nan 0.000 0.581 386 L N 1.193 122.539 121.223 0.205 0.000 2.307 386 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 386 L C 0.202 177.214 176.870 0.236 0.000 1.023 386 L CA -0.643 54.317 54.840 0.200 0.000 0.810 386 L CB 1.848 44.006 42.059 0.164 0.000 1.231 386 L HN 0.680 nan 8.230 nan 0.000 0.423 387 T N 0.130 114.783 114.554 0.166 0.000 2.887 387 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 387 T C -0.881 173.897 174.700 0.130 0.000 1.087 387 T CA -0.856 61.332 62.100 0.147 0.000 1.009 387 T CB 2.632 71.543 68.868 0.072 0.000 1.203 387 T HN 0.616 nan 8.240 nan 0.000 0.518 388 Q N -0.292 119.578 119.800 0.117 0.000 2.468 388 Q HA 0.564 4.904 4.340 -0.000 0.000 0.263 388 Q C -2.024 174.027 176.000 0.084 0.000 0.979 388 Q CA -0.897 54.965 55.803 0.098 0.000 0.932 388 Q CB 1.893 30.701 28.738 0.116 0.000 1.462 388 Q HN 1.193 nan 8.270 nan 0.000 0.403 389 A N 3.719 126.580 122.820 0.068 0.000 2.310 389 A HA 0.789 5.109 4.320 -0.000 0.000 0.299 389 A C -1.163 176.475 177.584 0.090 0.000 1.147 389 A CA -0.349 51.727 52.037 0.066 0.000 0.818 389 A CB 0.508 19.534 19.000 0.044 0.000 1.096 389 A HN 0.618 nan 8.150 nan 0.000 0.495 390 L N 1.813 123.107 121.223 0.118 0.000 2.401 390 L HA 0.357 4.697 4.340 -0.000 0.000 0.266 390 L C -0.345 176.621 176.870 0.161 0.000 0.991 390 L CA -0.483 54.474 54.840 0.194 0.000 0.818 390 L CB 2.324 44.564 42.059 0.302 0.000 1.321 390 L HN 0.785 nan 8.230 nan 0.000 0.413 391 N N 0.827 119.613 118.700 0.142 0.000 2.420 391 N HA 0.298 5.038 4.740 -0.000 0.000 0.249 391 N C -0.196 175.180 175.510 -0.224 0.000 1.033 391 N CA -0.372 52.671 53.050 -0.012 0.000 0.944 391 N CB 1.072 39.544 38.487 -0.025 0.000 1.113 391 N HN 0.662 nan 8.380 nan 0.000 0.502 392 T N -1.204 113.210 114.554 -0.233 0.000 2.824 392 T HA 0.143 4.493 4.350 -0.000 0.000 0.277 392 T C 1.186 175.673 174.700 -0.355 0.000 0.975 392 T CA -0.600 61.249 62.100 -0.419 0.000 0.966 392 T CB 1.305 70.071 68.868 -0.170 0.000 1.054 392 T HN 0.383 nan 8.240 nan 0.000 0.533 393 K N -0.272 119.928 120.400 -0.333 0.000 2.362 393 K HA -0.111 4.209 4.320 -0.000 0.000 0.200 393 K C 1.022 177.544 176.600 -0.130 0.000 1.046 393 K CA 1.176 57.339 56.287 -0.207 0.000 0.952 393 K CB -0.209 32.202 32.500 -0.148 0.000 0.753 393 K HN 0.546 nan 8.250 nan 0.000 0.466 394 D N -0.049 120.282 120.400 -0.115 0.000 2.363 394 D HA -0.018 4.622 4.640 -0.000 0.000 0.220 394 D C 0.791 177.049 176.300 -0.069 0.000 0.994 394 D CA 1.105 55.060 54.000 -0.075 0.000 0.890 394 D CB 0.292 41.057 40.800 -0.058 0.000 0.906 394 D HN 0.481 nan 8.370 nan 0.000 0.530 395 G N 0.542 109.290 108.800 -0.087 0.000 2.182 395 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.248 395 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.248 395 G C 0.181 175.050 174.900 -0.052 0.000 1.042 395 G CA 0.305 45.364 45.100 -0.069 0.000 0.775 395 G HN 0.640 nan 8.290 nan 0.000 0.501 396 A N -1.408 121.379 122.820 -0.054 0.000 2.566 396 A HA 0.900 5.220 4.320 -0.000 0.000 0.292 396 A C -0.231 177.339 177.584 -0.023 0.000 1.112 396 A CA -0.264 51.753 52.037 -0.033 0.000 0.707 396 A CB 1.868 20.852 19.000 -0.027 0.000 1.302 396 A HN 1.248 nan 8.150 nan 0.000 0.409 397 V N 1.720 121.631 119.914 -0.006 0.000 2.498 397 V HA 0.499 4.619 4.120 -0.000 0.000 0.279 397 V C 0.166 176.275 176.094 0.026 0.000 1.048 397 V CA 0.004 62.313 62.300 0.014 0.000 0.967 397 V CB 1.167 32.998 31.823 0.014 0.000 0.988 397 V HN 0.877 nan 8.190 nan 0.000 0.473 398 M N 5.782 125.414 119.600 0.054 0.000 2.321 398 M HA 0.629 5.109 4.480 -0.000 0.000 0.315 398 M C -1.637 174.704 176.300 0.068 0.000 1.052 398 M CA -0.453 54.884 55.300 0.062 0.000 0.936 398 M CB 1.837 34.491 32.600 0.091 0.000 1.639 398 M HN 0.416 nan 8.290 nan 0.000 0.433 399 V N 6.136 126.076 119.914 0.044 0.000 2.435 399 V HA 0.511 4.631 4.120 -0.000 0.000 0.290 399 V C -0.229 175.882 176.094 0.029 0.000 1.030 399 V CA -0.447 61.877 62.300 0.040 0.000 0.881 399 V CB 1.790 33.625 31.823 0.020 0.000 0.983 399 V HN 0.950 nan 8.190 nan 0.000 0.445 400 M N 3.320 122.944 119.600 0.041 0.000 2.456 400 M HA 0.530 5.009 4.480 -0.000 0.000 0.324 400 M C -0.330 175.951 176.300 -0.031 0.000 1.124 400 M CA -0.124 55.165 55.300 -0.018 0.000 0.959 400 M CB 2.197 34.807 32.600 0.016 0.000 1.692 400 M HN 0.656 nan 8.290 nan 0.000 0.444 401 S N 1.750 117.339 115.700 -0.184 0.000 2.542 401 S HA 0.741 5.211 4.470 -0.000 0.000 0.293 401 S C -1.933 172.457 174.600 -0.350 0.000 1.089 401 S CA -0.479 57.651 58.200 -0.116 0.000 0.961 401 S CB 0.907 64.081 63.200 -0.044 0.000 1.062 401 S HN 0.523 nan 8.310 nan 0.000 0.483 402 Y N 1.453 121.790 120.300 0.061 0.000 2.333 402 Y HA 0.564 5.114 4.550 -0.000 0.000 0.324 402 Y C 0.767 176.714 175.900 0.079 0.000 1.033 402 Y CA -0.759 57.385 58.100 0.074 0.000 1.224 402 Y CB 2.075 40.580 38.460 0.074 0.000 1.120 402 Y HN 0.828 nan 8.280 nan 0.000 0.457 403 G N 1.944 110.848 108.800 0.172 0.000 5.077 403 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.230 403 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.230 403 G C 0.069 175.037 174.900 0.114 0.000 0.924 403 G CA -0.503 44.681 45.100 0.141 0.000 0.770 403 G HN 0.548 nan 8.290 nan 0.000 0.512 404 N N -0.509 118.266 118.700 0.125 0.000 2.203 404 N HA 0.164 4.904 4.740 -0.000 0.000 0.207 404 N C -0.041 175.525 175.510 0.093 0.000 1.130 404 N CA -0.037 53.072 53.050 0.098 0.000 0.861 404 N CB 1.048 39.594 38.487 0.098 0.000 1.005 404 N HN 0.115 nan 8.380 nan 0.000 0.507 405 S N -0.623 115.139 115.700 0.104 0.000 2.535 405 S HA 0.303 4.773 4.470 -0.000 0.000 0.272 405 S C -0.571 174.078 174.600 0.081 0.000 1.149 405 S CA -0.527 57.725 58.200 0.087 0.000 0.888 405 S CB 1.365 64.622 63.200 0.095 0.000 1.110 405 S HN 0.150 nan 8.310 nan 0.000 0.463 406 E N 1.027 121.263 120.200 0.059 0.000 2.460 406 E HA 0.161 4.511 4.350 -0.000 0.000 0.200 406 E C 0.121 176.743 176.600 0.038 0.000 1.011 406 E CA -0.010 56.419 56.400 0.047 0.000 0.912 406 E CB 0.423 30.142 29.700 0.033 0.000 0.953 406 E HN 0.559 nan 8.360 nan 0.000 0.494 407 E N 0.805 121.029 120.200 0.040 0.000 2.816 407 E HA -0.028 4.322 4.350 -0.000 0.000 0.260 407 E C 0.809 177.430 176.600 0.036 0.000 1.414 407 E CA 0.156 56.574 56.400 0.030 0.000 1.074 407 E CB 0.488 30.204 29.700 0.027 0.000 1.123 407 E HN -0.066 nan 8.360 nan 0.000 0.664 408 D N -0.537 119.879 120.400 0.026 0.000 2.097 408 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 408 D C 0.328 176.656 176.300 0.046 0.000 0.984 408 D CA 0.969 54.984 54.000 0.025 0.000 0.826 408 D CB -0.031 40.776 40.800 0.011 0.000 0.973 408 D HN 0.121 nan 8.370 nan 0.000 0.460 409 S N 0.727 116.465 115.700 0.064 0.000 2.480 409 S HA 0.136 4.606 4.470 -0.000 0.000 0.286 409 S C -0.134 174.585 174.600 0.198 0.000 1.180 409 S CA -0.801 57.479 58.200 0.134 0.000 1.075 409 S CB 1.163 64.422 63.200 0.098 0.000 0.996 409 S HN -0.095 nan 8.310 nan 0.000 0.487 410 Q N 3.076 123.034 119.800 0.263 0.000 2.340 410 Q HA 0.266 4.606 4.340 -0.000 0.000 0.249 410 Q C 0.344 176.540 176.000 0.325 0.000 0.957 410 Q CA 0.025 55.988 55.803 0.267 0.000 0.882 410 Q CB 0.866 29.784 28.738 0.300 0.000 1.235 410 Q HN 0.826 nan 8.270 nan 0.000 0.439 411 E N 0.851 121.157 120.200 0.177 0.000 2.243 411 E HA 0.403 4.753 4.350 -0.000 0.000 0.260 411 E C -0.593 175.934 176.600 -0.121 0.000 0.985 411 E CA -0.805 55.618 56.400 0.038 0.000 0.858 411 E CB 0.848 30.548 29.700 -0.000 0.000 1.210 411 E HN 0.515 nan 8.360 nan 0.000 0.411 412 H N -0.152 118.708 119.070 -0.350 0.000 2.745 412 H HA 0.182 4.738 4.556 -0.000 0.000 0.373 412 H C -0.007 175.230 175.328 -0.152 0.000 1.226 412 H CA 0.114 55.902 56.048 -0.433 0.000 1.435 412 H CB 0.876 30.322 29.762 -0.527 0.000 1.461 412 H HN 0.601 nan 8.280 nan 0.000 0.616 413 T N -1.814 112.791 114.554 0.084 0.000 2.906 413 T HA 0.356 4.706 4.350 -0.000 0.000 0.295 413 T C 1.020 175.859 174.700 0.232 0.000 1.061 413 T CA -0.640 61.540 62.100 0.133 0.000 1.000 413 T CB 1.705 70.645 68.868 0.119 0.000 1.103 413 T HN 0.651 nan 8.240 nan 0.000 0.486 414 G N 0.471 109.415 108.800 0.240 0.000 2.985 414 G HA2 0.207 4.167 3.960 -0.000 0.000 0.209 414 G HA3 0.207 4.167 3.960 -0.000 0.000 0.209 414 G C 0.597 175.654 174.900 0.262 0.000 1.165 414 G CA -0.035 45.258 45.100 0.320 0.000 0.776 414 G HN 0.909 nan 8.290 nan 0.000 0.541 415 S N 0.788 116.637 115.700 0.249 0.000 2.552 415 S HA 0.144 4.614 4.470 -0.000 0.000 0.289 415 S C 0.979 175.740 174.600 0.268 0.000 1.304 415 S CA -0.478 57.839 58.200 0.195 0.000 1.063 415 S CB 0.291 63.590 63.200 0.164 0.000 0.848 415 S HN 0.624 nan 8.310 nan 0.000 0.499 416 Q N 2.973 122.865 119.800 0.154 0.000 2.428 416 Q HA 0.390 4.730 4.340 -0.000 0.000 0.276 416 Q C -0.373 175.787 176.000 0.267 0.000 1.059 416 Q CA -0.330 55.587 55.803 0.191 0.000 0.923 416 Q CB 0.088 28.909 28.738 0.138 0.000 1.283 416 Q HN 0.568 nan 8.270 nan 0.000 0.447 417 L N -2.185 119.236 121.223 0.331 0.000 2.403 417 L HA 0.598 4.938 4.340 -0.000 0.000 0.253 417 L C -0.415 176.509 176.870 0.089 0.000 1.045 417 L CA -1.443 53.520 54.840 0.204 0.000 0.845 417 L CB 1.475 43.654 42.059 0.200 0.000 1.447 417 L HN 0.736 nan 8.230 nan 0.000 0.411 418 R N 0.959 121.462 120.500 0.006 0.000 2.585 418 R HA 0.518 4.858 4.340 -0.000 0.000 0.275 418 R C -1.063 175.105 176.300 -0.220 0.000 1.018 418 R CA 0.103 56.160 56.100 -0.072 0.000 1.072 418 R CB 0.299 30.572 30.300 -0.045 0.000 0.953 418 R HN 0.871 nan 8.270 nan 0.000 0.419 419 I N 2.999 123.420 120.570 -0.249 0.000 2.571 419 I HA 0.543 4.713 4.170 -0.000 0.000 0.289 419 I C -1.592 174.422 176.117 -0.173 0.000 1.115 419 I CA -0.428 60.662 61.300 -0.350 0.000 1.045 419 I CB 1.941 39.589 38.000 -0.587 0.000 1.238 419 I HN 0.822 nan 8.210 nan 0.000 0.424 420 A N 5.597 128.334 122.820 -0.138 0.000 2.454 420 A HA 1.017 5.337 4.320 -0.000 0.000 0.302 420 A C -1.267 176.294 177.584 -0.039 0.000 1.079 420 A CA -0.165 51.835 52.037 -0.062 0.000 0.731 420 A CB 1.838 20.813 19.000 -0.042 0.000 1.299 420 A HN 1.112 nan 8.150 nan 0.000 0.413 421 A N 0.032 122.859 122.820 0.011 0.000 2.593 421 A HA 0.828 5.148 4.320 -0.000 0.000 0.290 421 A C -1.741 175.917 177.584 0.123 0.000 1.126 421 A CA -0.429 51.635 52.037 0.044 0.000 0.695 421 A CB 1.244 20.256 19.000 0.019 0.000 1.290 421 A HN 1.998 nan 8.150 nan 0.000 0.414 422 Y N -0.121 120.172 120.300 -0.011 0.000 2.479 422 Y HA 0.588 5.138 4.550 -0.000 0.000 0.338 422 Y C 0.199 176.095 175.900 -0.006 0.000 1.055 422 Y CA 0.503 58.599 58.100 -0.006 0.000 1.023 422 Y CB 1.570 40.028 38.460 -0.003 0.000 1.287 422 Y HN 2.418 nan 8.280 nan 0.000 0.447 423 G N 4.140 112.378 108.800 -0.936 0.000 2.466 423 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.316 423 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.316 423 G C -3.143 171.553 174.900 -0.341 0.000 1.270 423 G CA -0.965 43.708 45.100 -0.712 0.000 0.982 423 G HN 0.567 nan 8.290 nan 0.000 0.506 424 P HA 0.260 nan 4.420 nan 0.000 0.261 424 P C 0.209 177.454 177.300 -0.092 0.000 1.183 424 P CA 1.000 63.975 63.100 -0.209 0.000 0.761 424 P CB -0.043 31.583 31.700 -0.124 0.000 0.785 425 H N 1.081 120.106 119.070 -0.074 0.000 2.992 425 H HA -0.202 4.354 4.556 -0.000 0.000 0.266 425 H C 1.218 176.524 175.328 -0.037 0.000 1.200 425 H CA 0.811 56.832 56.048 -0.045 0.000 1.135 425 H CB -1.769 27.973 29.762 -0.032 0.000 1.282 425 H HN 0.566 nan 8.280 nan 0.000 0.351 426 A N 0.489 123.312 122.820 0.005 0.000 2.121 426 A HA 0.219 4.539 4.320 -0.000 0.000 0.218 426 A C 2.492 180.090 177.584 0.023 0.000 1.154 426 A CA 1.402 53.442 52.037 0.006 0.000 0.679 426 A CB -0.333 18.647 19.000 -0.034 0.000 0.795 426 A HN 0.559 nan 8.150 nan 0.000 0.458 427 A N 0.582 123.416 122.820 0.023 0.000 2.070 427 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 427 A C 1.572 179.186 177.584 0.049 0.000 1.159 427 A CA 1.456 53.511 52.037 0.030 0.000 0.656 427 A CB -0.512 18.502 19.000 0.023 0.000 0.800 427 A HN 0.529 nan 8.150 nan 0.000 0.453 428 N N 0.049 118.790 118.700 0.068 0.000 2.571 428 N HA -0.057 4.683 4.740 -0.000 0.000 0.189 428 N C 1.295 176.849 175.510 0.073 0.000 1.154 428 N CA 1.330 54.424 53.050 0.074 0.000 0.907 428 N CB 0.202 38.739 38.487 0.083 0.000 0.977 428 N HN 0.589 nan 8.380 nan 0.000 0.449 429 V N -3.341 116.606 119.914 0.055 0.000 3.578 429 V HA 0.253 4.373 4.120 -0.000 0.000 0.290 429 V C 0.768 176.885 176.094 0.038 0.000 1.376 429 V CA -0.172 62.154 62.300 0.045 0.000 1.083 429 V CB -0.164 31.660 31.823 0.002 0.000 0.911 429 V HN -0.232 nan 8.190 nan 0.000 0.433 430 V N 2.413 122.351 119.914 0.041 0.000 2.881 430 V HA 0.732 4.852 4.120 -0.000 0.000 0.303 430 V C 1.368 177.490 176.094 0.048 0.000 1.070 430 V CA 0.859 63.181 62.300 0.037 0.000 1.074 430 V CB 0.037 31.880 31.823 0.033 0.000 1.012 430 V HN 1.034 nan 8.190 nan 0.000 0.482 431 G N 2.806 111.633 108.800 0.046 0.000 2.598 431 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.244 431 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.244 431 G C -0.791 174.150 174.900 0.069 0.000 1.302 431 G CA 0.082 45.213 45.100 0.052 0.000 0.903 431 G HN 1.169 nan 8.290 nan 0.000 0.575 432 L N 1.579 122.847 121.223 0.074 0.000 2.292 432 L HA 0.768 5.108 4.340 -0.000 0.000 0.284 432 L C 1.009 177.945 176.870 0.110 0.000 1.065 432 L CA 1.089 55.986 54.840 0.095 0.000 0.806 432 L CB 1.178 43.286 42.059 0.082 0.000 1.175 432 L HN 1.628 nan 8.230 nan 0.000 0.431 433 T N 0.372 115.018 114.554 0.152 0.000 2.778 433 T HA 0.563 4.913 4.350 -0.000 0.000 0.293 433 T C -1.030 173.775 174.700 0.175 0.000 1.144 433 T CA -0.847 61.349 62.100 0.160 0.000 1.010 433 T CB 1.343 70.321 68.868 0.184 0.000 1.325 433 T HN 0.588 nan 8.240 nan 0.000 0.515 434 D N -0.994 119.482 120.400 0.126 0.000 2.299 434 D HA 0.329 4.969 4.640 -0.000 0.000 0.243 434 D C 1.196 177.471 176.300 -0.042 0.000 0.982 434 D CA -0.642 53.368 54.000 0.016 0.000 0.924 434 D CB 2.142 42.941 40.800 -0.003 0.000 1.238 434 D HN 0.675 nan 8.370 nan 0.000 0.484 435 Q N 0.172 119.770 119.800 -0.337 0.000 2.181 435 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 435 Q C 1.442 177.465 176.000 0.040 0.000 0.980 435 Q CA 2.046 57.616 55.803 -0.387 0.000 0.862 435 Q CB -0.007 28.457 28.738 -0.456 0.000 0.905 435 Q HN 0.731 nan 8.270 nan 0.000 0.429 436 T N -2.185 112.388 114.554 0.032 0.000 2.995 436 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 436 T C 1.193 176.110 174.700 0.360 0.000 1.091 436 T CA 1.031 63.236 62.100 0.174 0.000 1.128 436 T CB -0.134 68.799 68.868 0.108 0.000 0.891 436 T HN 0.225 nan 8.240 nan 0.000 0.492 437 D N 1.034 121.592 120.400 0.263 0.000 2.178 437 D HA -0.031 4.609 4.640 -0.000 0.000 0.201 437 D C 1.962 178.447 176.300 0.309 0.000 0.980 437 D CA 0.622 54.793 54.000 0.285 0.000 0.842 437 D CB -0.162 40.752 40.800 0.191 0.000 0.948 437 D HN 0.279 nan 8.370 nan 0.000 0.472 438 L N 0.598 122.010 121.223 0.314 0.000 2.042 438 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 438 L C 2.082 179.104 176.870 0.253 0.000 1.076 438 L CA 1.348 56.358 54.840 0.284 0.000 0.749 438 L CB -0.941 41.328 42.059 0.350 0.000 0.893 438 L HN -0.062 nan 8.230 nan 0.000 0.432 439 F N -0.569 119.477 119.950 0.160 0.000 2.069 439 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 439 F C 2.181 177.909 175.800 -0.120 0.000 1.113 439 F CA 1.956 59.955 58.000 -0.002 0.000 1.214 439 F CB -0.836 38.082 39.000 -0.137 0.000 0.978 439 F HN 0.156 nan 8.300 nan 0.000 0.474 440 Y N 0.385 120.668 120.300 -0.029 0.000 2.274 440 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 440 Y C 2.738 178.538 175.900 -0.167 0.000 1.145 440 Y CA 1.917 59.923 58.100 -0.157 0.000 1.203 440 Y CB -1.268 37.221 38.460 0.048 0.000 0.984 440 Y HN 0.067 nan 8.280 nan 0.000 0.533 441 T N -0.035 114.551 114.554 0.053 0.000 2.746 441 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 441 T C 1.939 176.589 174.700 -0.084 0.000 1.039 441 T CA 1.633 63.734 62.100 0.001 0.000 1.142 441 T CB -0.280 68.626 68.868 0.063 0.000 0.866 441 T HN 0.284 nan 8.240 nan 0.000 0.444 442 M N 0.534 120.076 119.600 -0.097 0.000 2.099 442 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 442 M C 2.433 178.609 176.300 -0.207 0.000 1.067 442 M CA 1.468 56.708 55.300 -0.099 0.000 1.124 442 M CB -0.358 32.224 32.600 -0.030 0.000 1.353 442 M HN 0.094 nan 8.290 nan 0.000 0.410 443 K N 0.733 120.897 120.400 -0.394 0.000 2.032 443 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 443 K C 1.949 178.398 176.600 -0.251 0.000 1.048 443 K CA 1.746 57.779 56.287 -0.423 0.000 0.927 443 K CB -0.105 31.962 32.500 -0.720 0.000 0.712 443 K HN 0.290 nan 8.250 nan 0.000 0.441 444 A N 0.718 123.405 122.820 -0.222 0.000 1.929 444 A HA -0.015 4.304 4.320 -0.000 0.000 0.216 444 A C 2.287 179.714 177.584 -0.262 0.000 1.176 444 A CA 1.599 53.518 52.037 -0.197 0.000 0.628 444 A CB -0.698 18.194 19.000 -0.180 0.000 0.816 444 A HN 0.475 nan 8.150 nan 0.000 0.444 445 A N -0.183 122.459 122.820 -0.296 0.000 1.902 445 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 445 A C 2.081 179.619 177.584 -0.077 0.000 1.181 445 A CA 1.519 53.405 52.037 -0.252 0.000 0.623 445 A CB -0.567 18.381 19.000 -0.086 0.000 0.818 445 A HN 0.464 nan 8.150 nan 0.000 0.443 446 L N -1.255 119.921 121.223 -0.078 0.000 2.395 446 L HA 0.103 4.443 4.340 -0.000 0.000 0.218 446 L C 1.660 178.501 176.870 -0.049 0.000 1.130 446 L CA 0.547 55.361 54.840 -0.045 0.000 0.826 446 L CB -0.430 41.603 42.059 -0.043 0.000 0.941 446 L HN 0.613 nan 8.230 nan 0.000 0.451 447 G N 1.057 109.810 108.800 -0.078 0.000 2.246 447 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 447 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 447 G C 0.140 175.009 174.900 -0.052 0.000 1.055 447 G CA -0.262 44.802 45.100 -0.060 0.000 0.851 447 G HN 0.238 nan 8.290 nan 0.000 0.500 448 L N -0.235 120.943 121.223 -0.075 0.000 2.477 448 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 448 L C 1.108 177.950 176.870 -0.046 0.000 1.157 448 L CA 0.361 55.163 54.840 -0.063 0.000 0.889 448 L CB 0.380 42.380 42.059 -0.097 0.000 1.158 448 L HN 0.190 nan 8.230 nan 0.000 0.473 449 K N 0.000 120.387 120.400 -0.022 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 449 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543