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 1la2_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSVKVVTDKC TYKDNELLTK YSYENAVVTK TASGRFDVTP TVQDYVFKLD DATA SEQUENCE LKKPEKLGIX LIGLGGNNGS TLVASVLANK HNVEFQTKEG VKQPNYFGSX DATA SEQUENCE TQCSTLKLGI DAEGNDVYAP FNSLLPXVSP NDFVVSGWDI NNADLYEAXQ DATA SEQUENCE RSQVLEYDLQ QRLKAKXSLV KPLPSIYYPD FIAANQDERA NNCINLDEKG DATA SEQUENCE NVTTRGKWTH LQRIRRDIQN FKEENALDKV IVLWTANTER YVEVSPGVND DATA SEQUENCE TXENLLQSIK NDHEEIAPST IFAAASILEG VPYINGSPQN TFVPGLVQLA DATA SEQUENCE EHEGTFIAGD DLKSGQTKLK SVLAQFLVDA GIKPVSIASY NHLGNNDGYN DATA SEQUENCE LSAPKXXXXX XXXXXSVIDD IIASNDILYN DKLGKKVDHC IVIKYXKPVG DATA SEQUENCE DSKVAXDEYY SELXLGGHNR ISIHNVCEDS LLATPLIIDL LVXTEFCTRV DATA SEQUENCE SYKKVDPVKE DAGKFENFYP VLTFLSYWLK APLTRPGFHP VNGLNKQRTA DATA SEQUENCE LENFLRLLIG LPSQNELRFE ERLL 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.702 174.700 0.003 0.000 1.109 10 T CA 0.000 62.105 62.100 0.008 0.000 1.349 10 T CB 0.000 68.875 68.868 0.012 0.000 0.612 11 S N 1.576 117.277 115.700 0.001 0.000 2.651 11 S HA 0.935 5.405 4.470 0.000 0.000 0.279 11 S C -1.548 173.049 174.600 -0.005 0.000 1.148 11 S CA -0.511 57.688 58.200 -0.002 0.000 0.837 11 S CB 1.625 64.829 63.200 0.007 0.000 1.138 11 S HN 0.585 nan 8.310 nan 0.000 0.478 12 V N 2.354 122.263 119.914 -0.008 0.000 2.709 12 V HA 0.586 4.706 4.120 0.000 0.000 0.308 12 V C -1.071 175.025 176.094 0.004 0.000 1.062 12 V CA -0.741 61.553 62.300 -0.011 0.000 0.901 12 V CB 1.930 33.733 31.823 -0.033 0.000 1.003 12 V HN 0.829 nan 8.190 nan 0.000 0.425 13 K N 3.243 123.648 120.400 0.008 0.000 2.502 13 K HA 0.674 4.994 4.320 0.000 0.000 0.254 13 K C -1.310 175.302 176.600 0.021 0.000 0.947 13 K CA -0.577 55.725 56.287 0.026 0.000 0.834 13 K CB 2.406 34.919 32.500 0.023 0.000 1.112 13 K HN 0.443 nan 8.250 nan 0.000 0.427 14 V N 3.489 123.421 119.914 0.029 0.000 2.407 14 V HA 0.133 4.253 4.120 0.000 0.000 0.278 14 V C 0.265 176.383 176.094 0.040 0.000 1.037 14 V CA -0.941 61.373 62.300 0.023 0.000 0.900 14 V CB 1.392 33.222 31.823 0.011 0.000 0.983 14 V HN 0.575 nan 8.190 nan 0.000 0.459 15 V N 2.421 122.354 119.914 0.031 0.000 2.229 15 V HA 0.475 4.595 4.120 0.000 0.000 0.245 15 V C 0.182 176.300 176.094 0.040 0.000 1.243 15 V CA 0.194 62.515 62.300 0.036 0.000 1.176 15 V CB -0.654 31.184 31.823 0.025 0.000 1.323 15 V HN 0.850 nan 8.190 nan 0.000 0.499 16 T N 3.711 118.296 114.554 0.053 0.000 2.893 16 T HA 0.374 4.724 4.350 0.000 0.000 0.293 16 T C 0.433 175.172 174.700 0.065 0.000 1.027 16 T CA -0.081 62.052 62.100 0.055 0.000 0.988 16 T CB 1.798 70.699 68.868 0.056 0.000 1.043 16 T HN 0.797 nan 8.240 nan 0.000 0.461 17 D N 1.065 121.502 120.400 0.061 0.000 2.323 17 D HA 0.019 4.659 4.640 0.000 0.000 0.239 17 D C 0.750 177.094 176.300 0.072 0.000 1.129 17 D CA 0.051 54.089 54.000 0.064 0.000 0.865 17 D CB 0.313 41.144 40.800 0.052 0.000 0.913 17 D HN 0.452 nan 8.370 nan 0.000 0.517 18 K N -0.439 120.008 120.400 0.080 0.000 2.354 18 K HA 0.160 4.480 4.320 0.000 0.000 0.194 18 K C 0.189 176.843 176.600 0.089 0.000 1.045 18 K CA 0.019 56.362 56.287 0.094 0.000 1.026 18 K CB 0.809 33.378 32.500 0.114 0.000 0.866 18 K HN 0.109 nan 8.250 nan 0.000 0.530 19 C N 2.302 121.648 119.300 0.076 0.000 2.322 19 C HA 0.468 4.928 4.460 0.000 0.000 0.324 19 C C 0.344 175.380 174.990 0.076 0.000 1.284 19 C CA -0.841 58.202 59.018 0.043 0.000 1.606 19 C CB 0.696 28.448 27.740 0.020 0.000 2.251 19 C HN 0.343 nan 8.230 nan 0.000 0.502 20 T N 0.412 114.982 114.554 0.026 0.000 2.900 20 T HA 0.694 5.044 4.350 0.000 0.000 0.295 20 T C -1.165 173.551 174.700 0.025 0.000 1.044 20 T CA -0.493 61.678 62.100 0.118 0.000 0.995 20 T CB 1.111 70.039 68.868 0.101 0.000 1.072 20 T HN 0.464 nan 8.240 nan 0.000 0.473 21 Y N 0.929 121.238 120.300 0.014 0.000 2.534 21 Y HA 0.760 5.310 4.550 -0.000 0.000 0.329 21 Y C 0.351 176.248 175.900 -0.006 0.000 1.154 21 Y CA -0.934 57.167 58.100 0.001 0.000 1.192 21 Y CB 1.692 40.152 38.460 -0.001 0.000 1.275 21 Y HN 0.993 nan 8.280 nan 0.000 0.491 22 K N -0.733 119.748 120.400 0.135 0.000 2.633 22 K HA 0.323 4.643 4.320 0.000 0.000 0.268 22 K C -1.750 174.865 176.600 0.024 0.000 1.005 22 K CA -0.921 55.402 56.287 0.060 0.000 0.976 22 K CB 0.785 33.297 32.500 0.020 0.000 1.372 22 K HN 0.423 nan 8.250 nan 0.000 0.420 23 D N 2.526 122.939 120.400 0.021 0.000 2.686 23 D HA -0.253 4.387 4.640 0.000 0.000 0.235 23 D C -0.417 175.887 176.300 0.006 0.000 1.160 23 D CA 2.061 56.063 54.000 0.003 0.000 0.645 23 D CB -1.082 39.706 40.800 -0.020 0.000 1.039 23 D HN 0.937 nan 8.370 nan 0.000 0.423 24 N N -0.903 117.820 118.700 0.039 0.000 2.740 24 N HA -0.261 4.479 4.740 0.000 0.000 0.248 24 N C -0.739 174.785 175.510 0.025 0.000 1.062 24 N CA 1.030 54.109 53.050 0.049 0.000 0.704 24 N CB -0.189 38.312 38.487 0.023 0.000 0.968 24 N HN 0.551 nan 8.380 nan 0.000 0.547 25 E N -0.290 119.917 120.200 0.012 0.000 2.423 25 E HA 0.574 4.924 4.350 0.000 0.000 0.269 25 E C -1.230 175.272 176.600 -0.162 0.000 0.948 25 E CA -0.937 55.421 56.400 -0.070 0.000 0.802 25 E CB 1.657 31.290 29.700 -0.112 0.000 1.339 25 E HN 0.135 nan 8.360 nan 0.000 0.445 26 L N 1.776 122.866 121.223 -0.223 0.000 2.404 26 L HA 0.439 4.779 4.340 0.000 0.000 0.272 26 L C -1.898 174.863 176.870 -0.181 0.000 0.980 26 L CA -0.270 54.357 54.840 -0.355 0.000 0.836 26 L CB 1.086 42.926 42.059 -0.365 0.000 1.238 26 L HN 0.411 nan 8.230 nan 0.000 0.408 27 L N 4.793 125.931 121.223 -0.143 0.000 2.322 27 L HA 0.779 5.119 4.340 0.000 0.000 0.281 27 L C -0.431 176.467 176.870 0.048 0.000 1.014 27 L CA -0.341 54.510 54.840 0.018 0.000 0.815 27 L CB 2.072 44.164 42.059 0.055 0.000 1.247 27 L HN 0.613 nan 8.230 nan 0.000 0.421 28 T N 1.840 116.484 114.554 0.150 0.000 2.952 28 T HA 0.347 4.697 4.350 0.000 0.000 0.305 28 T C -0.654 174.206 174.700 0.268 0.000 1.064 28 T CA -0.931 61.270 62.100 0.168 0.000 1.008 28 T CB 2.122 71.066 68.868 0.127 0.000 1.078 28 T HN 0.368 nan 8.240 nan 0.000 0.459 29 K N 1.624 122.165 120.400 0.234 0.000 2.098 29 K HA 0.615 4.935 4.320 0.000 0.000 0.261 29 K C -1.399 175.440 176.600 0.399 0.000 0.987 29 K CA -0.824 55.621 56.287 0.263 0.000 0.916 29 K CB 1.180 33.779 32.500 0.166 0.000 1.039 29 K HN 0.630 nan 8.250 nan 0.000 0.455 30 Y N -0.406 120.055 120.300 0.269 0.000 2.424 30 Y HA 0.111 4.661 4.550 -0.000 0.000 0.323 30 Y C -1.420 174.676 175.900 0.327 0.000 1.174 30 Y CA -0.593 57.693 58.100 0.309 0.000 1.060 30 Y CB 1.770 40.494 38.460 0.441 0.000 1.314 30 Y HN 0.497 nan 8.280 nan 0.000 0.439 31 S N 6.320 121.801 115.700 -0.365 0.000 2.464 31 S HA 0.137 4.607 4.470 0.000 0.000 0.313 31 S C -1.135 173.230 174.600 -0.392 0.000 1.078 31 S CA -0.396 57.662 58.200 -0.236 0.000 1.096 31 S CB -0.447 62.656 63.200 -0.162 0.000 1.032 31 S HN 0.506 nan 8.310 nan 0.000 0.498 32 Y N 3.759 123.991 120.300 -0.114 0.000 2.730 32 Y HA 0.101 4.651 4.550 -0.000 0.000 0.354 32 Y C 0.351 176.278 175.900 0.045 0.000 1.139 32 Y CA -0.339 57.800 58.100 0.067 0.000 1.516 32 Y CB -0.186 38.538 38.460 0.440 0.000 1.204 32 Y HN 0.527 nan 8.280 nan 0.000 0.520 33 E N 5.557 125.491 120.200 -0.442 0.000 2.231 33 E HA 0.326 4.676 4.350 0.000 0.000 0.277 33 E C -0.574 175.688 176.600 -0.563 0.000 0.999 33 E CA -0.550 55.620 56.400 -0.384 0.000 0.827 33 E CB 1.422 30.996 29.700 -0.210 0.000 1.101 33 E HN 0.828 nan 8.360 nan 0.000 0.393 34 N N 0.299 118.781 118.700 -0.364 0.000 3.588 34 N HA 0.694 5.434 4.740 0.000 0.000 0.340 34 N C -2.039 173.406 175.510 -0.110 0.000 1.609 34 N CA -0.636 52.259 53.050 -0.259 0.000 0.811 34 N CB 1.494 39.820 38.487 -0.268 0.000 2.184 34 N HN 0.394 nan 8.380 nan 0.000 0.577 35 A N 0.739 123.530 122.820 -0.049 0.000 2.573 35 A HA 0.437 4.757 4.320 0.000 0.000 0.299 35 A C -1.706 175.882 177.584 0.006 0.000 1.060 35 A CA -0.414 51.612 52.037 -0.018 0.000 0.736 35 A CB 0.709 19.697 19.000 -0.019 0.000 1.280 35 A HN 0.227 nan 8.150 nan 0.000 0.401 36 V N 2.066 121.988 119.914 0.012 0.000 2.481 36 V HA 0.602 4.722 4.120 0.000 0.000 0.286 36 V C 0.127 176.237 176.094 0.027 0.000 1.042 36 V CA -0.437 61.872 62.300 0.016 0.000 0.928 36 V CB 1.368 33.197 31.823 0.010 0.000 0.986 36 V HN 0.749 nan 8.190 nan 0.000 0.462 37 V N 3.364 123.301 119.914 0.038 0.000 2.815 37 V HA 0.792 4.912 4.120 0.000 0.000 0.314 37 V C -0.013 176.109 176.094 0.047 0.000 1.064 37 V CA -0.510 61.835 62.300 0.075 0.000 0.952 37 V CB 2.382 34.289 31.823 0.140 0.000 1.020 37 V HN 1.026 nan 8.190 nan 0.000 0.439 38 T N 0.037 114.615 114.554 0.038 0.000 3.186 38 T HA 0.517 4.867 4.350 0.000 0.000 0.320 38 T C -0.946 173.694 174.700 -0.100 0.000 0.955 38 T CA -1.116 60.969 62.100 -0.025 0.000 1.030 38 T CB 0.976 69.829 68.868 -0.026 0.000 1.013 38 T HN 0.468 nan 8.240 nan 0.000 0.454 39 K N 2.240 122.524 120.400 -0.194 0.000 2.379 39 K HA 0.504 4.824 4.320 0.000 0.000 0.284 39 K C 0.343 176.786 176.600 -0.262 0.000 1.044 39 K CA -0.267 55.772 56.287 -0.413 0.000 0.974 39 K CB 0.320 32.533 32.500 -0.477 0.000 0.962 39 K HN 0.578 nan 8.250 nan 0.000 0.474 40 T N 2.046 116.444 114.554 -0.260 0.000 2.845 40 T HA 0.253 4.603 4.350 0.000 0.000 0.288 40 T C 1.378 175.992 174.700 -0.144 0.000 0.980 40 T CA -0.431 61.578 62.100 -0.153 0.000 1.071 40 T CB 1.484 70.288 68.868 -0.107 0.000 0.941 40 T HN 0.624 nan 8.240 nan 0.000 0.487 41 A N 2.441 125.203 122.820 -0.098 0.000 2.131 41 A HA -0.070 4.250 4.320 0.000 0.000 0.220 41 A C 2.368 179.913 177.584 -0.066 0.000 1.158 41 A CA 1.734 53.724 52.037 -0.077 0.000 0.665 41 A CB -0.632 18.336 19.000 -0.053 0.000 0.795 41 A HN 0.728 nan 8.150 nan 0.000 0.460 42 S N -1.145 114.517 115.700 -0.065 0.000 2.522 42 S HA 0.280 4.750 4.470 0.000 0.000 0.227 42 S C 1.277 175.849 174.600 -0.047 0.000 0.986 42 S CA 1.399 59.571 58.200 -0.046 0.000 0.929 42 S CB -0.444 62.734 63.200 -0.036 0.000 0.769 42 S HN 1.927 nan 8.310 nan 0.000 0.529 43 G N 0.950 109.700 108.800 -0.083 0.000 2.164 43 G HA2 -0.197 3.763 3.960 0.000 0.000 0.212 43 G HA3 -0.197 3.763 3.960 0.000 0.000 0.212 43 G C -0.177 174.690 174.900 -0.054 0.000 1.031 43 G CA 0.057 45.111 45.100 -0.076 0.000 0.730 43 G HN 0.664 nan 8.290 nan 0.000 0.501 44 R N -0.591 119.845 120.500 -0.107 0.000 2.561 44 R HA 0.676 5.016 4.340 0.000 0.000 0.297 44 R C -0.793 175.447 176.300 -0.099 0.000 0.969 44 R CA -0.931 55.156 56.100 -0.023 0.000 0.879 44 R CB 0.787 31.087 30.300 0.000 0.000 1.178 44 R HN -0.012 nan 8.270 nan 0.000 0.445 45 F N 2.196 122.144 119.950 -0.004 0.000 2.396 45 F HA 0.253 4.780 4.527 -0.000 0.000 0.343 45 F C 0.406 176.202 175.800 -0.006 0.000 1.104 45 F CA 0.033 58.031 58.000 -0.005 0.000 1.161 45 F CB 1.226 40.224 39.000 -0.004 0.000 1.146 45 F HN 0.273 nan 8.300 nan 0.000 0.522 46 D N 3.370 123.852 120.400 0.137 0.000 2.441 46 D HA 0.293 4.933 4.640 0.000 0.000 0.231 46 D C -0.866 175.485 176.300 0.085 0.000 1.073 46 D CA -0.037 54.012 54.000 0.081 0.000 0.850 46 D CB 1.978 42.795 40.800 0.029 0.000 1.062 46 D HN 0.096 nan 8.370 nan 0.000 0.524 47 V N 2.362 122.322 119.914 0.076 0.000 2.394 47 V HA 0.356 4.476 4.120 0.000 0.000 0.282 47 V C 0.490 176.601 176.094 0.027 0.000 1.031 47 V CA -0.313 62.019 62.300 0.052 0.000 0.881 47 V CB 1.719 33.566 31.823 0.040 0.000 0.982 47 V HN 0.411 nan 8.190 nan 0.000 0.451 48 T N 6.947 121.512 114.554 0.019 0.000 2.912 48 T HA 0.367 4.717 4.350 0.000 0.000 0.326 48 T C -2.554 172.146 174.700 -0.000 0.000 1.080 48 T CA -1.154 60.951 62.100 0.008 0.000 1.000 48 T CB 1.387 70.259 68.868 0.008 0.000 1.008 48 T HN 0.413 nan 8.240 nan 0.000 0.473 49 P HA 0.110 nan 4.420 nan 0.000 0.266 49 P C -0.430 176.856 177.300 -0.023 0.000 1.186 49 P CA 0.180 63.266 63.100 -0.023 0.000 0.767 49 P CB 0.404 32.089 31.700 -0.025 0.000 0.820 50 T N 1.645 116.175 114.554 -0.039 0.000 2.881 50 T HA 0.486 4.836 4.350 0.000 0.000 0.290 50 T C -0.721 173.950 174.700 -0.048 0.000 1.000 50 T CA -0.425 61.660 62.100 -0.024 0.000 0.978 50 T CB 1.002 69.873 68.868 0.005 0.000 0.997 50 T HN -0.006 nan 8.240 nan 0.000 0.443 51 V N 2.984 122.887 119.914 -0.019 0.000 2.735 51 V HA 0.799 4.919 4.120 0.000 0.000 0.310 51 V C -0.756 175.352 176.094 0.025 0.000 1.061 51 V CA -0.824 61.465 62.300 -0.019 0.000 0.913 51 V CB 1.954 33.756 31.823 -0.035 0.000 1.005 51 V HN 0.778 nan 8.190 nan 0.000 0.428 52 Q N 2.130 121.973 119.800 0.072 0.000 2.406 52 Q HA 0.363 4.703 4.340 0.000 0.000 0.244 52 Q C -1.590 174.375 176.000 -0.059 0.000 0.884 52 Q CA -0.327 55.476 55.803 0.001 0.000 0.813 52 Q CB 1.397 30.192 28.738 0.096 0.000 1.368 52 Q HN 0.767 nan 8.270 nan 0.000 0.439 53 D N 2.917 123.227 120.400 -0.150 0.000 2.389 53 D HA 0.270 4.910 4.640 0.000 0.000 0.247 53 D C -0.587 175.557 176.300 -0.261 0.000 1.128 53 D CA 0.736 54.683 54.000 -0.088 0.000 0.884 53 D CB 0.410 41.169 40.800 -0.067 0.000 1.194 53 D HN 0.405 nan 8.370 nan 0.000 0.441 54 Y N -0.432 119.896 120.300 0.046 0.000 2.634 54 Y HA 0.560 5.110 4.550 0.000 0.000 0.340 54 Y C -0.187 175.651 175.900 -0.103 0.000 1.058 54 Y CA -1.063 56.980 58.100 -0.096 0.000 1.081 54 Y CB 1.820 40.160 38.460 -0.199 0.000 1.295 54 Y HN -0.012 nan 8.280 nan 0.000 0.487 55 V N 2.624 122.469 119.914 -0.116 0.000 2.462 55 V HA 0.320 4.440 4.120 0.000 0.000 0.288 55 V C -1.277 174.770 176.094 -0.078 0.000 1.020 55 V CA -0.933 61.348 62.300 -0.033 0.000 0.857 55 V CB 0.533 32.313 31.823 -0.073 0.000 1.013 55 V HN 0.488 nan 8.190 nan 0.000 0.431 56 F N 3.207 123.307 119.950 0.250 0.000 2.394 56 F HA 0.548 5.075 4.527 0.000 0.000 0.340 56 F C 0.466 176.406 175.800 0.234 0.000 1.105 56 F CA -0.397 57.748 58.000 0.242 0.000 1.124 56 F CB 1.351 40.431 39.000 0.134 0.000 1.145 56 F HN 0.256 nan 8.300 nan 0.000 0.505 57 K N 4.130 124.767 120.400 0.395 0.000 2.358 57 K HA 0.530 4.850 4.320 0.000 0.000 0.260 57 K C -1.846 174.769 176.600 0.024 0.000 0.956 57 K CA -0.841 55.506 56.287 0.100 0.000 0.834 57 K CB 1.268 33.641 32.500 -0.212 0.000 1.102 57 K HN 0.623 nan 8.250 nan 0.000 0.431 58 L N 4.558 125.751 121.223 -0.051 0.000 2.298 58 L HA 0.308 4.648 4.340 0.000 0.000 0.284 58 L C -0.647 176.152 176.870 -0.119 0.000 1.013 58 L CA -0.232 54.544 54.840 -0.107 0.000 0.824 58 L CB 1.368 43.347 42.059 -0.133 0.000 1.221 58 L HN 0.628 nan 8.230 nan 0.000 0.418 59 D N 4.884 125.215 120.400 -0.115 0.000 2.349 59 D HA 0.023 4.663 4.640 0.000 0.000 0.266 59 D C 1.014 177.276 176.300 -0.064 0.000 1.293 59 D CA 0.231 54.179 54.000 -0.086 0.000 0.926 59 D CB 0.755 41.513 40.800 -0.071 0.000 1.090 59 D HN 0.707 nan 8.370 nan 0.000 0.502 60 L N 3.295 124.494 121.223 -0.039 0.000 2.551 60 L HA -0.015 4.325 4.340 0.000 0.000 0.228 60 L C 1.536 178.417 176.870 0.019 0.000 1.153 60 L CA 0.494 55.335 54.840 0.002 0.000 0.851 60 L CB -0.181 41.898 42.059 0.032 0.000 0.959 60 L HN 0.185 nan 8.230 nan 0.000 0.451 61 K N 2.396 122.799 120.400 0.006 0.000 2.257 61 K HA 0.167 4.487 4.320 0.000 0.000 0.270 61 K C -0.150 176.462 176.600 0.021 0.000 1.098 61 K CA -0.443 55.852 56.287 0.014 0.000 0.943 61 K CB 0.453 32.956 32.500 0.005 0.000 1.316 61 K HN 0.074 nan 8.250 nan 0.000 0.447 62 K N 3.276 123.700 120.400 0.039 0.000 2.144 62 K HA 0.372 4.692 4.320 0.000 0.000 0.270 62 K C -2.510 174.120 176.600 0.050 0.000 1.005 62 K CA -1.803 54.519 56.287 0.057 0.000 0.932 62 K CB 0.415 32.965 32.500 0.085 0.000 1.021 62 K HN 0.156 nan 8.250 nan 0.000 0.462 63 P HA -0.014 nan 4.420 nan 0.000 0.265 63 P C -0.097 177.233 177.300 0.051 0.000 1.193 63 P CA -0.044 63.085 63.100 0.048 0.000 0.765 63 P CB 0.804 32.538 31.700 0.057 0.000 0.823 64 E N 1.922 122.142 120.200 0.034 0.000 2.268 64 E HA -0.109 4.241 4.350 0.000 0.000 0.195 64 E C -0.035 176.590 176.600 0.040 0.000 0.995 64 E CA 1.275 57.693 56.400 0.030 0.000 0.836 64 E CB 0.169 29.878 29.700 0.016 0.000 0.763 64 E HN 0.157 nan 8.360 nan 0.000 0.491 65 K N 0.227 120.656 120.400 0.048 0.000 2.565 65 K HA 0.276 4.596 4.320 0.000 0.000 0.251 65 K C -1.409 175.240 176.600 0.083 0.000 0.956 65 K CA -0.431 55.897 56.287 0.070 0.000 0.809 65 K CB 1.531 34.053 32.500 0.036 0.000 1.267 65 K HN 0.041 nan 8.250 nan 0.000 0.438 66 L N 1.396 122.712 121.223 0.154 0.000 2.307 66 L HA 0.560 4.900 4.340 0.000 0.000 0.282 66 L C 0.353 177.262 176.870 0.065 0.000 1.051 66 L CA -0.536 54.370 54.840 0.111 0.000 0.804 66 L CB 1.494 43.644 42.059 0.152 0.000 1.197 66 L HN 0.727 nan 8.230 nan 0.000 0.431 67 G N 4.758 113.589 108.800 0.053 0.000 2.319 67 G HA2 0.537 4.497 3.960 0.000 0.000 0.308 67 G HA3 0.537 4.497 3.960 0.000 0.000 0.308 67 G C -0.731 174.243 174.900 0.124 0.000 1.117 67 G CA -0.285 44.929 45.100 0.191 0.000 0.903 67 G HN 0.372 nan 8.290 nan 0.000 0.436 71 I N 2.820 123.338 120.570 -0.087 0.000 2.278 71 I HA 0.469 4.639 4.170 0.000 0.000 0.296 71 I C 1.001 176.786 176.117 -0.554 0.000 1.121 71 I CA 0.280 61.405 61.300 -0.292 0.000 1.267 71 I CB 0.715 38.319 38.000 -0.660 0.000 1.447 71 I HN 0.929 nan 8.210 nan 0.000 0.509 72 G N 4.612 113.197 108.800 -0.358 0.000 2.188 72 G HA2 -0.176 3.784 3.960 0.000 0.000 0.112 72 G HA3 -0.176 3.784 3.960 0.000 0.000 0.112 72 G C 0.559 175.327 174.900 -0.219 0.000 1.048 72 G CA -0.419 44.475 45.100 -0.344 0.000 0.720 72 G HN 0.582 nan 8.290 nan 0.000 0.487 73 L N 0.364 121.480 121.223 -0.179 0.000 2.064 73 L HA -0.089 4.251 4.340 0.000 0.000 0.216 73 L C 2.612 179.410 176.870 -0.121 0.000 1.077 73 L CA 2.576 57.325 54.840 -0.150 0.000 0.766 73 L CB -0.298 41.662 42.059 -0.165 0.000 0.890 73 L HN 0.446 nan 8.230 nan 0.000 0.435 74 G N -1.142 107.589 108.800 -0.115 0.000 2.776 74 G HA2 0.040 4.000 3.960 0.000 0.000 0.209 74 G HA3 0.040 4.000 3.960 0.000 0.000 0.209 74 G C 0.768 175.614 174.900 -0.091 0.000 1.145 74 G CA 0.397 45.441 45.100 -0.094 0.000 0.791 74 G HN 0.531 nan 8.290 nan 0.000 0.530 75 G N -0.012 108.725 108.800 -0.105 0.000 2.553 75 G HA2 0.191 4.151 3.960 0.000 0.000 0.278 75 G HA3 0.191 4.151 3.960 0.000 0.000 0.278 75 G C 0.930 175.790 174.900 -0.068 0.000 1.349 75 G CA -0.314 44.733 45.100 -0.089 0.000 1.037 75 G HN 0.120 nan 8.290 nan 0.000 0.508 76 N N 0.385 119.054 118.700 -0.051 0.000 2.058 76 N HA -0.130 4.610 4.740 0.000 0.000 0.191 76 N C 1.993 177.481 175.510 -0.037 0.000 1.037 76 N CA 1.177 54.204 53.050 -0.038 0.000 0.848 76 N CB -0.353 38.122 38.487 -0.020 0.000 1.021 76 N HN 0.431 nan 8.380 nan 0.000 0.422 77 N N 0.824 119.502 118.700 -0.036 0.000 2.120 77 N HA -0.084 4.656 4.740 0.000 0.000 0.188 77 N C 1.911 177.398 175.510 -0.039 0.000 1.024 77 N CA 1.220 54.253 53.050 -0.029 0.000 0.852 77 N CB -0.830 37.640 38.487 -0.028 0.000 1.003 77 N HN 0.303 nan 8.380 nan 0.000 0.424 78 G N 1.131 109.892 108.800 -0.064 0.000 2.514 78 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 78 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 78 G C 1.776 176.643 174.900 -0.054 0.000 1.198 78 G CA 1.888 46.943 45.100 -0.074 0.000 0.780 78 G HN 0.515 nan 8.290 nan 0.000 0.565 79 S N -0.056 115.612 115.700 -0.054 0.000 2.368 79 S HA -0.132 4.338 4.470 0.000 0.000 0.225 79 S C 2.253 176.833 174.600 -0.033 0.000 1.030 79 S CA 2.124 60.297 58.200 -0.045 0.000 0.999 79 S CB -0.972 62.196 63.200 -0.054 0.000 0.844 79 S HN 0.295 nan 8.310 nan 0.000 0.459 80 T N 2.756 117.291 114.554 -0.032 0.000 2.788 80 T HA 0.051 4.401 4.350 0.000 0.000 0.268 80 T C 1.674 176.372 174.700 -0.002 0.000 1.044 80 T CA 1.301 63.385 62.100 -0.027 0.000 1.139 80 T CB -0.554 68.302 68.868 -0.021 0.000 0.867 80 T HN 0.359 nan 8.240 nan 0.000 0.454 81 L N 1.022 122.252 121.223 0.012 0.000 1.976 81 L HA -0.115 4.225 4.340 0.000 0.000 0.209 81 L C 2.481 179.390 176.870 0.065 0.000 1.071 81 L CA 1.369 56.240 54.840 0.052 0.000 0.746 81 L CB -0.419 41.665 42.059 0.042 0.000 0.890 81 L HN 0.080 nan 8.230 nan 0.000 0.432 82 V N 0.404 120.339 119.914 0.035 0.000 2.332 82 V HA -0.345 3.775 4.120 0.000 0.000 0.248 82 V C 2.813 178.930 176.094 0.038 0.000 1.055 82 V CA 1.797 64.122 62.300 0.041 0.000 1.038 82 V CB -1.305 30.526 31.823 0.013 0.000 0.651 82 V HN 0.629 nan 8.190 nan 0.000 0.450 83 A N 0.978 123.804 122.820 0.009 0.000 1.865 83 A HA -0.253 4.067 4.320 0.000 0.000 0.217 83 A C 2.587 180.156 177.584 -0.026 0.000 1.191 83 A CA 2.694 54.721 52.037 -0.016 0.000 0.623 83 A CB -0.999 17.970 19.000 -0.051 0.000 0.826 83 A HN 0.712 nan 8.150 nan 0.000 0.444 84 S N -0.292 115.396 115.700 -0.021 0.000 2.370 84 S HA -0.154 4.316 4.470 0.000 0.000 0.226 84 S C 1.759 176.353 174.600 -0.011 0.000 1.033 84 S CA 1.615 59.785 58.200 -0.052 0.000 1.011 84 S CB -1.096 62.115 63.200 0.018 0.000 0.852 84 S HN 0.285 nan 8.310 nan 0.000 0.457 85 V N 2.146 122.117 119.914 0.095 0.000 2.343 85 V HA -0.105 4.015 4.120 0.000 0.000 0.247 85 V C 2.605 178.718 176.094 0.033 0.000 1.051 85 V CA 1.800 64.172 62.300 0.120 0.000 1.036 85 V CB -0.861 31.048 31.823 0.142 0.000 0.654 85 V HN 0.454 nan 8.190 nan 0.000 0.451 86 L N -0.068 121.180 121.223 0.041 0.000 2.027 86 L HA -0.112 4.228 4.340 0.000 0.000 0.206 86 L C 2.782 179.694 176.870 0.071 0.000 1.074 86 L CA 1.548 56.439 54.840 0.086 0.000 0.745 86 L CB -0.840 41.300 42.059 0.135 0.000 0.898 86 L HN 0.351 nan 8.230 nan 0.000 0.433 87 A N 0.147 122.975 122.820 0.013 0.000 1.908 87 A HA -0.229 4.091 4.320 0.000 0.000 0.218 87 A C 2.097 179.653 177.584 -0.048 0.000 1.181 87 A CA 1.986 54.018 52.037 -0.008 0.000 0.627 87 A CB -0.613 18.347 19.000 -0.066 0.000 0.818 87 A HN 0.458 nan 8.150 nan 0.000 0.445 88 N N -0.522 118.099 118.700 -0.131 0.000 2.135 88 N HA -0.135 4.605 4.740 0.000 0.000 0.186 88 N C 1.825 177.280 175.510 -0.091 0.000 1.027 88 N CA 1.518 54.465 53.050 -0.172 0.000 0.849 88 N CB -0.290 37.982 38.487 -0.359 0.000 1.002 88 N HN 0.637 nan 8.380 nan 0.000 0.425 89 K N 0.414 120.740 120.400 -0.124 0.000 2.147 89 K HA -0.119 4.201 4.320 0.000 0.000 0.205 89 K C 0.634 177.048 176.600 -0.311 0.000 1.049 89 K CA 1.203 57.345 56.287 -0.242 0.000 0.936 89 K CB 0.063 32.333 32.500 -0.383 0.000 0.722 89 K HN 0.306 nan 8.250 nan 0.000 0.446 90 H N 0.533 119.601 119.070 -0.003 0.000 2.505 90 H HA 0.158 4.714 4.556 -0.000 0.000 0.286 90 H C -0.261 175.061 175.328 -0.011 0.000 1.072 90 H CA -0.131 55.914 56.048 -0.006 0.000 1.141 90 H CB 0.201 29.959 29.762 -0.006 0.000 1.550 90 H HN 0.241 nan 8.280 nan 0.000 0.547 91 N N 0.930 119.660 118.700 0.050 0.000 2.707 91 N HA -0.159 4.581 4.740 0.000 0.000 0.253 91 N C -0.242 175.294 175.510 0.043 0.000 0.998 91 N CA 0.382 53.446 53.050 0.023 0.000 0.751 91 N CB -1.334 37.162 38.487 0.015 0.000 0.920 91 N HN 0.086 nan 8.380 nan 0.000 0.539 92 V N 1.136 121.090 119.914 0.067 0.000 2.359 92 V HA -0.031 4.089 4.120 0.000 0.000 0.248 92 V C 1.219 177.388 176.094 0.126 0.000 1.091 92 V CA -0.155 62.193 62.300 0.079 0.000 1.103 92 V CB -0.145 31.723 31.823 0.075 0.000 1.176 92 V HN 0.278 nan 8.190 nan 0.000 0.488 93 E N 5.229 125.473 120.200 0.073 0.000 2.390 93 E HA 0.463 4.813 4.350 0.000 0.000 0.261 93 E C -0.604 176.067 176.600 0.118 0.000 1.076 93 E CA -0.502 55.916 56.400 0.029 0.000 0.905 93 E CB 0.919 30.580 29.700 -0.065 0.000 0.984 93 E HN 0.549 nan 8.360 nan 0.000 0.427 94 F N -1.239 118.683 119.950 -0.046 0.000 2.599 94 F HA 0.413 4.940 4.527 -0.000 0.000 0.311 94 F C -0.583 175.202 175.800 -0.025 0.000 1.076 94 F CA -1.550 56.427 58.000 -0.038 0.000 0.937 94 F CB 1.314 40.288 39.000 -0.043 0.000 1.282 94 F HN 0.187 nan 8.300 nan 0.000 0.460 95 Q N 1.828 121.697 119.800 0.115 0.000 2.288 95 Q HA 0.552 4.892 4.340 0.000 0.000 0.254 95 Q C -0.703 175.369 176.000 0.120 0.000 0.932 95 Q CA 0.094 55.923 55.803 0.043 0.000 0.902 95 Q CB 1.853 30.627 28.738 0.061 0.000 1.203 95 Q HN 0.918 nan 8.270 nan 0.000 0.415 96 T N 1.020 115.596 114.554 0.036 0.000 2.883 96 T HA 0.202 4.552 4.350 0.000 0.000 0.296 96 T C 0.948 175.672 174.700 0.041 0.000 1.117 96 T CA -0.764 61.384 62.100 0.079 0.000 1.006 96 T CB 1.746 70.653 68.868 0.064 0.000 1.191 96 T HN 0.519 nan 8.240 nan 0.000 0.508 97 K N 0.319 120.751 120.400 0.052 0.000 2.281 97 K HA -0.122 4.198 4.320 0.000 0.000 0.203 97 K C 0.533 177.143 176.600 0.016 0.000 1.046 97 K CA 1.608 57.915 56.287 0.033 0.000 0.938 97 K CB 0.125 32.647 32.500 0.036 0.000 0.737 97 K HN 0.412 nan 8.250 nan 0.000 0.458 98 E N -0.448 119.758 120.200 0.009 0.000 2.451 98 E HA 0.209 4.559 4.350 0.000 0.000 0.194 98 E C 0.101 176.684 176.600 -0.029 0.000 1.027 98 E CA 0.268 56.664 56.400 -0.006 0.000 0.914 98 E CB 1.197 30.896 29.700 -0.001 0.000 1.054 98 E HN 0.469 nan 8.360 nan 0.000 0.461 99 G N -0.526 108.253 108.800 -0.036 0.000 2.549 99 G HA2 -0.213 3.747 3.960 0.000 0.000 0.404 99 G HA3 -0.213 3.747 3.960 0.000 0.000 0.404 99 G C -0.639 174.191 174.900 -0.116 0.000 1.292 99 G CA -0.711 44.353 45.100 -0.059 0.000 0.935 99 G HN 0.050 nan 8.290 nan 0.000 0.512 100 V N 1.653 121.487 119.914 -0.132 0.000 2.479 100 V HA 0.374 4.494 4.120 0.000 0.000 0.281 100 V C 0.773 176.687 176.094 -0.300 0.000 1.031 100 V CA 0.489 62.663 62.300 -0.210 0.000 1.038 100 V CB 0.808 32.545 31.823 -0.144 0.000 0.981 100 V HN 0.632 nan 8.190 nan 0.000 0.478 101 K N 4.139 124.202 120.400 -0.562 0.000 2.207 101 K HA 0.518 4.838 4.320 0.000 0.000 0.255 101 K C -0.722 175.510 176.600 -0.613 0.000 0.941 101 K CA -0.929 55.000 56.287 -0.598 0.000 0.825 101 K CB 1.841 33.912 32.500 -0.715 0.000 1.119 101 K HN 0.510 nan 8.250 nan 0.000 0.430 102 Q N 2.543 122.144 119.800 -0.331 0.000 2.235 102 Q HA 0.311 4.651 4.340 0.000 0.000 0.250 102 Q C -2.163 173.747 176.000 -0.151 0.000 0.909 102 Q CA -1.988 53.693 55.803 -0.203 0.000 0.910 102 Q CB 0.920 29.573 28.738 -0.141 0.000 1.223 102 Q HN 0.443 nan 8.270 nan 0.000 0.432 103 P HA 0.101 nan 4.420 nan 0.000 0.271 103 P C -0.824 176.312 177.300 -0.273 0.000 1.218 103 P CA -0.137 62.909 63.100 -0.090 0.000 0.780 103 P CB 0.690 32.346 31.700 -0.075 0.000 0.901 104 N N -0.332 118.119 118.700 -0.416 0.000 3.046 104 N HA 0.185 4.925 4.740 0.000 0.000 0.243 104 N C -1.412 173.800 175.510 -0.497 0.000 1.452 104 N CA -0.794 51.962 53.050 -0.492 0.000 0.882 104 N CB 0.098 38.136 38.487 -0.749 0.000 1.425 104 N HN 0.220 nan 8.380 nan 0.000 0.517 105 Y N -0.166 120.112 120.300 -0.037 0.000 2.801 105 Y HA 0.435 4.985 4.550 -0.000 0.000 0.318 105 Y C -0.224 175.803 175.900 0.213 0.000 1.073 105 Y CA -0.870 57.261 58.100 0.052 0.000 1.360 105 Y CB -0.126 38.353 38.460 0.031 0.000 1.220 105 Y HN 0.280 nan 8.280 nan 0.000 0.536 106 F N 0.799 120.810 119.950 0.101 0.000 2.629 106 F HA 0.103 4.630 4.527 -0.000 0.000 0.377 106 F C 1.489 177.341 175.800 0.087 0.000 1.101 106 F CA 0.990 59.038 58.000 0.079 0.000 1.301 106 F CB 0.554 39.584 39.000 0.050 0.000 1.062 106 F HN 0.512 nan 8.300 nan 0.000 0.583 107 G N 1.693 110.637 108.800 0.241 0.000 2.213 107 G HA2 -0.261 3.699 3.960 0.000 0.000 0.226 107 G HA3 -0.261 3.699 3.960 0.000 0.000 0.226 107 G C 0.064 175.062 174.900 0.164 0.000 0.992 107 G CA 0.085 45.288 45.100 0.172 0.000 0.632 107 G HN 0.781 nan 8.290 nan 0.000 0.511 111 Q N -0.543 119.248 119.800 -0.015 0.000 2.369 111 Q HA 0.469 4.809 4.340 0.000 0.000 0.254 111 Q C 1.269 177.325 176.000 0.093 0.000 0.858 111 Q CA 0.774 56.587 55.803 0.018 0.000 0.961 111 Q CB 0.692 29.403 28.738 -0.044 0.000 1.119 111 Q HN 0.571 nan 8.270 nan 0.000 0.538 112 C N -0.422 118.931 119.300 0.088 0.000 3.386 112 C HA 0.537 4.997 4.460 0.000 0.000 0.279 112 C C 0.661 175.668 174.990 0.029 0.000 1.508 112 C CA -0.616 58.455 59.018 0.089 0.000 1.801 112 C CB -0.140 27.675 27.740 0.124 0.000 2.798 112 C HN 0.288 nan 8.230 nan 0.000 0.605 113 S N 1.206 116.923 115.700 0.029 0.000 2.681 113 S HA 0.793 5.263 4.470 0.000 0.000 0.299 113 S C -0.042 174.625 174.600 0.112 0.000 1.113 113 S CA 0.079 58.293 58.200 0.024 0.000 1.013 113 S CB 1.186 64.351 63.200 -0.059 0.000 1.076 113 S HN 0.555 nan 8.310 nan 0.000 0.534 114 T N 0.836 115.470 114.554 0.133 0.000 2.901 114 T HA 0.730 5.080 4.350 0.000 0.000 0.293 114 T C -0.877 173.993 174.700 0.283 0.000 1.084 114 T CA -0.873 61.351 62.100 0.208 0.000 1.008 114 T CB 0.857 69.848 68.868 0.204 0.000 1.170 114 T HN 0.535 nan 8.240 nan 0.000 0.509 115 L N 0.597 121.954 121.223 0.223 0.000 2.354 115 L HA 0.603 4.943 4.340 0.000 0.000 0.264 115 L C -0.180 176.569 176.870 -0.201 0.000 1.008 115 L CA -1.257 53.631 54.840 0.079 0.000 0.819 115 L CB 2.431 44.490 42.059 -0.000 0.000 1.339 115 L HN 0.713 nan 8.230 nan 0.000 0.420 116 K N 1.739 121.837 120.400 -0.504 0.000 2.285 116 K HA 0.349 4.669 4.320 0.000 0.000 0.286 116 K C 0.292 176.670 176.600 -0.370 0.000 1.072 116 K CA -0.329 55.466 56.287 -0.819 0.000 0.913 116 K CB 0.933 32.903 32.500 -0.884 0.000 1.067 116 K HN 0.627 nan 8.250 nan 0.000 0.479 117 L N 2.809 123.863 121.223 -0.282 0.000 2.168 117 L HA 0.220 4.560 4.340 0.000 0.000 0.203 117 L C 1.218 178.009 176.870 -0.133 0.000 1.078 117 L CA 0.764 55.507 54.840 -0.162 0.000 0.780 117 L CB 0.109 42.102 42.059 -0.110 0.000 0.939 117 L HN 0.967 nan 8.230 nan 0.000 0.451 118 G N -0.362 108.354 108.800 -0.139 0.000 2.392 118 G HA2 0.301 4.261 3.960 0.000 0.000 0.260 118 G HA3 0.301 4.261 3.960 0.000 0.000 0.260 118 G C -1.665 173.192 174.900 -0.070 0.000 1.226 118 G CA -0.353 44.691 45.100 -0.093 0.000 0.913 118 G HN 0.026 nan 8.290 nan 0.000 0.483 119 I N -0.950 119.598 120.570 -0.035 0.000 2.910 119 I HA 0.811 4.981 4.170 0.000 0.000 0.310 119 I C -0.444 175.672 176.117 -0.001 0.000 1.043 119 I CA -1.029 60.264 61.300 -0.011 0.000 1.053 119 I CB 2.233 40.232 38.000 -0.002 0.000 1.242 119 I HN 0.636 nan 8.210 nan 0.000 0.452 120 D N 3.318 123.724 120.400 0.010 0.000 2.541 120 D HA 0.459 5.099 4.640 0.000 0.000 0.276 120 D C 1.206 177.514 176.300 0.013 0.000 1.190 120 D CA -0.097 53.910 54.000 0.012 0.000 1.095 120 D CB 0.226 41.036 40.800 0.017 0.000 1.173 120 D HN 0.634 nan 8.370 nan 0.000 0.604 121 A N -0.375 122.453 122.820 0.014 0.000 1.849 121 A HA -0.191 4.129 4.320 0.000 0.000 0.217 121 A C 1.647 179.240 177.584 0.015 0.000 1.202 121 A CA 1.507 53.552 52.037 0.014 0.000 0.629 121 A CB -0.948 18.059 19.000 0.012 0.000 0.834 121 A HN 0.550 nan 8.150 nan 0.000 0.447 122 E N -0.121 120.089 120.200 0.017 0.000 2.335 122 E HA 0.179 4.529 4.350 0.000 0.000 0.191 122 E C 0.995 177.607 176.600 0.021 0.000 1.150 122 E CA 0.549 56.960 56.400 0.018 0.000 1.001 122 E CB -1.069 28.641 29.700 0.018 0.000 1.127 122 E HN 0.763 nan 8.360 nan 0.000 0.462 123 G N 2.289 111.101 108.800 0.021 0.000 2.341 123 G HA2 -0.278 3.682 3.960 0.000 0.000 0.292 123 G HA3 -0.278 3.682 3.960 0.000 0.000 0.292 123 G C 0.052 174.967 174.900 0.026 0.000 1.021 123 G CA 0.236 45.350 45.100 0.022 0.000 0.905 123 G HN 0.204 nan 8.290 nan 0.000 0.508 124 N N 0.886 119.603 118.700 0.029 0.000 2.443 124 N HA 0.307 5.047 4.740 0.000 0.000 0.295 124 N C -0.277 175.264 175.510 0.051 0.000 1.076 124 N CA -0.638 52.437 53.050 0.041 0.000 0.919 124 N CB 1.031 39.543 38.487 0.041 0.000 1.176 124 N HN 0.159 nan 8.380 nan 0.000 0.487 125 D N 0.731 121.178 120.400 0.080 0.000 2.493 125 D HA 0.050 4.690 4.640 0.000 0.000 0.240 125 D C -0.096 176.291 176.300 0.146 0.000 1.142 125 D CA 0.391 54.450 54.000 0.098 0.000 0.872 125 D CB 1.099 42.032 40.800 0.221 0.000 1.173 125 D HN 0.048 nan 8.370 nan 0.000 0.467 126 V N 3.479 123.418 119.914 0.042 0.000 2.409 126 V HA 0.220 4.340 4.120 0.000 0.000 0.291 126 V C -0.610 175.487 176.094 0.006 0.000 1.020 126 V CA -0.775 61.573 62.300 0.080 0.000 0.848 126 V CB 0.683 32.518 31.823 0.020 0.000 0.990 126 V HN 0.348 nan 8.190 nan 0.000 0.430 127 Y N 2.346 122.642 120.300 -0.006 0.000 2.496 127 Y HA 0.844 5.394 4.550 0.000 0.000 0.331 127 Y C 0.426 176.323 175.900 -0.005 0.000 1.140 127 Y CA -0.705 57.392 58.100 -0.005 0.000 1.166 127 Y CB 2.072 40.531 38.460 -0.002 0.000 1.249 127 Y HN 0.729 nan 8.280 nan 0.000 0.479 128 A N 2.449 125.349 122.820 0.134 0.000 2.515 128 A HA 0.658 4.978 4.320 0.000 0.000 0.298 128 A C -3.009 174.623 177.584 0.080 0.000 1.059 128 A CA -2.017 50.063 52.037 0.072 0.000 0.698 128 A CB 1.368 20.373 19.000 0.009 0.000 1.289 128 A HN 0.438 nan 8.150 nan 0.000 0.404 129 P HA -0.038 nan 4.420 nan 0.000 0.262 129 P C 0.632 177.981 177.300 0.083 0.000 1.182 129 P CA 0.287 63.440 63.100 0.088 0.000 0.761 129 P CB 0.238 31.978 31.700 0.067 0.000 0.795 130 F N 4.818 124.753 119.950 -0.026 0.000 2.176 130 F HA -0.295 4.232 4.527 0.000 0.000 0.301 130 F C 1.397 177.134 175.800 -0.104 0.000 1.071 130 F CA 2.437 60.398 58.000 -0.064 0.000 1.289 130 F CB -0.480 38.486 39.000 -0.057 0.000 1.028 130 F HN 0.367 nan 8.300 nan 0.000 0.494 131 N N -0.885 117.833 118.700 0.030 0.000 2.276 131 N HA 0.041 4.781 4.740 0.000 0.000 0.212 131 N C 0.764 176.219 175.510 -0.091 0.000 1.127 131 N CA 0.538 53.541 53.050 -0.077 0.000 0.834 131 N CB -0.416 38.084 38.487 0.021 0.000 1.014 131 N HN 0.208 nan 8.380 nan 0.000 0.491 132 S N -0.774 114.870 115.700 -0.094 0.000 2.511 132 S HA 0.206 4.676 4.470 0.000 0.000 0.214 132 S C 1.387 175.935 174.600 -0.087 0.000 0.997 132 S CA -0.446 57.717 58.200 -0.063 0.000 0.908 132 S CB -0.360 62.823 63.200 -0.029 0.000 0.803 132 S HN 0.227 nan 8.310 nan 0.000 0.504 133 L N 0.252 121.381 121.223 -0.157 0.000 2.072 133 L HA 0.321 4.661 4.340 0.000 0.000 0.205 133 L C 0.499 177.300 176.870 -0.115 0.000 1.079 133 L CA 0.914 55.660 54.840 -0.157 0.000 0.752 133 L CB -0.335 41.575 42.059 -0.249 0.000 0.906 133 L HN 0.283 nan 8.230 nan 0.000 0.436 134 L N -0.916 120.230 121.223 -0.129 0.000 2.434 134 L HA 0.422 4.762 4.340 0.000 0.000 0.260 134 L C -2.178 174.712 176.870 0.033 0.000 0.983 134 L CA -1.900 52.934 54.840 -0.009 0.000 0.820 134 L CB 2.128 44.240 42.059 0.089 0.000 1.361 134 L HN -0.164 nan 8.230 nan 0.000 0.410 138 S N 5.519 121.154 115.700 -0.109 0.000 2.537 138 S HA 0.474 4.944 4.470 0.000 0.000 0.275 138 S C -0.962 173.254 174.600 -0.640 0.000 1.272 138 S CA -1.179 56.848 58.200 -0.288 0.000 1.050 138 S CB 1.577 64.669 63.200 -0.180 0.000 0.961 138 S HN 0.687 nan 8.310 nan 0.000 0.496 139 P HA -0.102 nan 4.420 nan 0.000 0.221 139 P C 0.639 177.475 177.300 -0.774 0.000 1.145 139 P CA 0.922 63.009 63.100 -1.689 0.000 0.795 139 P CB -0.021 30.921 31.700 -1.262 0.000 0.775 140 N N 0.316 118.787 118.700 -0.381 0.000 2.520 140 N HA -0.081 4.659 4.740 0.000 0.000 0.185 140 N C 0.511 175.957 175.510 -0.105 0.000 1.068 140 N CA 0.983 53.953 53.050 -0.132 0.000 0.911 140 N CB -0.263 38.185 38.487 -0.065 0.000 0.961 140 N HN 0.280 nan 8.380 nan 0.000 0.446 141 D N -0.356 119.968 120.400 -0.127 0.000 2.559 141 D HA 0.121 4.761 4.640 0.000 0.000 0.234 141 D C -0.361 176.079 176.300 0.233 0.000 1.226 141 D CA -0.113 53.903 54.000 0.027 0.000 0.830 141 D CB -0.088 40.729 40.800 0.028 0.000 1.028 141 D HN 0.157 nan 8.370 nan 0.000 0.492 142 F N 1.144 121.098 119.950 0.008 0.000 2.411 142 F HA 0.221 4.748 4.527 -0.000 0.000 0.355 142 F C 0.642 176.472 175.800 0.050 0.000 1.117 142 F CA -0.844 57.172 58.000 0.026 0.000 1.139 142 F CB 1.701 40.709 39.000 0.014 0.000 1.120 142 F HN -0.335 nan 8.300 nan 0.000 0.493 143 V N 6.011 126.069 119.914 0.241 0.000 2.270 143 V HA 0.127 4.247 4.120 0.000 0.000 0.263 143 V C 0.074 176.330 176.094 0.271 0.000 1.066 143 V CA -0.505 61.924 62.300 0.215 0.000 0.857 143 V CB 0.596 32.509 31.823 0.150 0.000 1.099 143 V HN 0.406 nan 8.190 nan 0.000 0.476 144 V N 3.895 123.902 119.914 0.155 0.000 2.607 144 V HA 0.724 4.844 4.120 0.000 0.000 0.289 144 V C 0.410 176.453 176.094 -0.086 0.000 1.053 144 V CA 0.278 62.585 62.300 0.013 0.000 0.996 144 V CB 1.498 33.324 31.823 0.004 0.000 0.995 144 V HN 0.851 nan 8.190 nan 0.000 0.476 145 S N 1.530 117.021 115.700 -0.349 0.000 2.755 145 S HA 0.923 5.393 4.470 0.000 0.000 0.286 145 S C -0.391 173.840 174.600 -0.614 0.000 1.207 145 S CA 0.328 58.234 58.200 -0.490 0.000 0.892 145 S CB 1.481 64.227 63.200 -0.757 0.000 1.240 145 S HN 1.776 nan 8.310 nan 0.000 0.525 146 G N -0.352 107.995 108.800 -0.755 0.000 2.352 146 G HA2 0.260 4.220 3.960 0.000 0.000 0.283 146 G HA3 0.260 4.220 3.960 0.000 0.000 0.283 146 G C -2.056 172.363 174.900 -0.801 0.000 1.308 146 G CA -0.493 44.084 45.100 -0.872 0.000 0.892 146 G HN 0.582 nan 8.290 nan 0.000 0.504 147 W N -0.114 121.110 121.300 -0.127 0.000 2.762 147 W HA 0.768 5.428 4.660 -0.000 0.000 0.355 147 W C -0.745 175.672 176.519 -0.170 0.000 1.124 147 W CA -0.116 57.178 57.345 -0.086 0.000 1.141 147 W CB 2.156 31.646 29.460 0.050 0.000 1.432 147 W HN 0.633 nan 8.180 nan 0.000 0.586 148 D N 0.521 120.980 120.400 0.100 0.000 2.474 148 D HA 0.024 4.664 4.640 0.000 0.000 0.199 148 D C 0.234 176.513 176.300 -0.034 0.000 1.151 148 D CA -0.347 53.626 54.000 -0.046 0.000 0.785 148 D CB 1.142 41.890 40.800 -0.087 0.000 2.567 148 D HN 0.405 nan 8.370 nan 0.000 0.491 149 I N 0.319 120.838 120.570 -0.086 0.000 3.454 149 I HA 0.110 4.280 4.170 0.000 0.000 0.297 149 I C 0.350 176.401 176.117 -0.109 0.000 1.298 149 I CA 0.332 61.570 61.300 -0.104 0.000 1.297 149 I CB -0.312 37.558 38.000 -0.218 0.000 1.017 149 I HN 0.055 nan 8.210 nan 0.000 0.528 150 N N 2.566 121.216 118.700 -0.084 0.000 2.249 150 N HA 0.139 4.879 4.740 0.000 0.000 0.296 150 N C 0.113 175.594 175.510 -0.047 0.000 1.051 150 N CA -0.503 52.504 53.050 -0.071 0.000 0.815 150 N CB 1.389 39.828 38.487 -0.081 0.000 1.487 150 N HN 0.263 nan 8.380 nan 0.000 0.475 151 N N 1.517 120.197 118.700 -0.034 0.000 2.398 151 N HA -0.003 4.737 4.740 0.000 0.000 0.188 151 N C 0.155 175.653 175.510 -0.021 0.000 1.122 151 N CA -0.313 52.724 53.050 -0.022 0.000 0.866 151 N CB 0.208 38.688 38.487 -0.011 0.000 0.970 151 N HN 0.406 nan 8.380 nan 0.000 0.462 152 A N 2.031 124.835 122.820 -0.027 0.000 2.524 152 A HA 0.094 4.414 4.320 0.000 0.000 0.250 152 A C 0.135 177.708 177.584 -0.019 0.000 1.078 152 A CA -0.346 51.678 52.037 -0.022 0.000 0.761 152 A CB -0.141 18.838 19.000 -0.035 0.000 1.012 152 A HN 0.532 nan 8.150 nan 0.000 0.500 153 D N 1.911 122.313 120.400 0.004 0.000 2.362 153 D HA 0.048 4.688 4.640 0.000 0.000 0.238 153 D C 0.902 177.210 176.300 0.015 0.000 1.212 153 D CA -0.444 53.566 54.000 0.015 0.000 0.902 153 D CB 0.277 41.105 40.800 0.046 0.000 1.180 153 D HN 0.350 nan 8.370 nan 0.000 0.445 154 L N -0.253 120.979 121.223 0.015 0.000 2.349 154 L HA -0.200 4.140 4.340 0.000 0.000 0.220 154 L C 1.839 178.731 176.870 0.037 0.000 1.130 154 L CA 1.018 55.862 54.840 0.007 0.000 0.791 154 L CB -0.586 41.476 42.059 0.004 0.000 0.918 154 L HN 0.518 nan 8.230 nan 0.000 0.444 155 Y N 1.042 121.319 120.300 -0.039 0.000 2.206 155 Y HA -0.168 4.382 4.550 0.000 0.000 0.292 155 Y C 2.390 178.272 175.900 -0.031 0.000 1.123 155 Y CA 1.384 59.460 58.100 -0.040 0.000 1.142 155 Y CB -0.104 38.333 38.460 -0.038 0.000 1.006 155 Y HN 0.173 nan 8.280 nan 0.000 0.518 156 E N 1.127 121.231 120.200 -0.161 0.000 2.051 156 E HA -0.059 4.291 4.350 0.000 0.000 0.192 156 E C 1.391 177.878 176.600 -0.189 0.000 0.991 156 E CA 0.575 56.842 56.400 -0.221 0.000 0.799 156 E CB -0.428 29.238 29.700 -0.058 0.000 0.748 156 E HN 0.444 nan 8.360 nan 0.000 0.449 160 R N 0.538 120.973 120.500 -0.109 0.000 2.235 160 R HA 0.188 4.528 4.340 0.000 0.000 0.213 160 R C 1.412 177.686 176.300 -0.042 0.000 1.059 160 R CA 1.552 57.615 56.100 -0.061 0.000 0.997 160 R CB -0.101 30.168 30.300 -0.051 0.000 0.884 160 R HN -0.092 nan 8.270 nan 0.000 0.462 161 S N 1.161 116.829 115.700 -0.054 0.000 2.428 161 S HA -0.071 4.399 4.470 0.000 0.000 0.230 161 S C 0.184 174.766 174.600 -0.029 0.000 1.014 161 S CA 0.642 58.820 58.200 -0.037 0.000 0.957 161 S CB -0.064 63.108 63.200 -0.047 0.000 0.784 161 S HN 0.430 nan 8.310 nan 0.000 0.499 162 Q N -0.329 119.449 119.800 -0.036 0.000 2.451 162 Q HA -0.162 4.178 4.340 0.000 0.000 0.305 162 Q C 0.413 176.400 176.000 -0.021 0.000 1.345 162 Q CA 0.323 56.112 55.803 -0.023 0.000 0.854 162 Q CB -2.039 26.690 28.738 -0.015 0.000 1.162 162 Q HN 0.388 nan 8.270 nan 0.000 0.440 163 V N -1.141 118.754 119.914 -0.033 0.000 2.690 163 V HA 0.087 4.207 4.120 0.000 0.000 0.240 163 V C 1.087 177.153 176.094 -0.046 0.000 1.078 163 V CA 1.001 63.282 62.300 -0.033 0.000 1.102 163 V CB 0.190 31.991 31.823 -0.036 0.000 0.800 163 V HN 0.319 nan 8.190 nan 0.000 0.479 164 L N 0.015 121.196 121.223 -0.070 0.000 2.375 164 L HA 0.431 4.771 4.340 0.000 0.000 0.268 164 L C 0.384 177.200 176.870 -0.089 0.000 1.058 164 L CA -0.757 54.014 54.840 -0.116 0.000 0.803 164 L CB 0.537 42.489 42.059 -0.177 0.000 1.212 164 L HN 0.125 nan 8.230 nan 0.000 0.451 165 E N 0.151 120.274 120.200 -0.129 0.000 2.467 165 E HA -0.164 4.186 4.350 0.000 0.000 0.264 165 E C 0.332 176.937 176.600 0.007 0.000 1.020 165 E CA 0.476 56.860 56.400 -0.028 0.000 0.945 165 E CB 0.518 30.213 29.700 -0.008 0.000 0.942 165 E HN 0.459 nan 8.360 nan 0.000 0.449 166 Y N 2.890 123.182 120.300 -0.014 0.000 2.181 166 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 166 Y C 1.912 177.824 175.900 0.021 0.000 1.146 166 Y CA 2.297 60.399 58.100 0.003 0.000 1.164 166 Y CB 0.093 38.563 38.460 0.016 0.000 0.982 166 Y HN 0.644 nan 8.280 nan 0.000 0.515 167 D N -0.199 120.210 120.400 0.015 0.000 2.097 167 D HA -0.193 4.447 4.640 0.000 0.000 0.195 167 D C 2.178 178.431 176.300 -0.078 0.000 0.989 167 D CA 1.434 55.413 54.000 -0.034 0.000 0.827 167 D CB -0.097 40.783 40.800 0.132 0.000 0.966 167 D HN 0.425 nan 8.370 nan 0.000 0.456 168 L N 1.311 122.478 121.223 -0.095 0.000 2.046 168 L HA -0.175 4.165 4.340 0.000 0.000 0.208 168 L C 2.420 179.184 176.870 -0.175 0.000 1.077 168 L CA 1.612 56.326 54.840 -0.209 0.000 0.747 168 L CB -0.657 41.004 42.059 -0.664 0.000 0.896 168 L HN 0.049 nan 8.230 nan 0.000 0.432 169 Q N -1.197 118.494 119.800 -0.181 0.000 2.084 169 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 169 Q C 2.151 178.109 176.000 -0.070 0.000 0.978 169 Q CA 1.606 57.347 55.803 -0.104 0.000 0.844 169 Q CB -0.178 28.498 28.738 -0.104 0.000 0.898 169 Q HN 0.578 nan 8.270 nan 0.000 0.426 170 Q N 0.283 119.949 119.800 -0.224 0.000 2.167 170 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 170 Q C 1.810 177.724 176.000 -0.143 0.000 0.970 170 Q CA 1.147 56.819 55.803 -0.219 0.000 0.855 170 Q CB -0.094 28.433 28.738 -0.351 0.000 0.911 170 Q HN 0.362 nan 8.270 nan 0.000 0.438 171 R N -0.047 120.389 120.500 -0.105 0.000 2.276 171 R HA 0.091 4.431 4.340 0.000 0.000 0.203 171 R C 1.728 177.988 176.300 -0.066 0.000 1.017 171 R CA 0.449 56.508 56.100 -0.067 0.000 1.010 171 R CB 0.169 30.457 30.300 -0.021 0.000 0.900 171 R HN 0.202 nan 8.270 nan 0.000 0.469 172 L N -0.239 120.944 121.223 -0.066 0.000 2.664 172 L HA 0.133 4.473 4.340 0.000 0.000 0.233 172 L C 2.132 178.969 176.870 -0.056 0.000 1.113 172 L CA -0.033 54.781 54.840 -0.044 0.000 0.896 172 L CB -0.002 42.044 42.059 -0.023 0.000 1.163 172 L HN 0.015 nan 8.230 nan 0.000 0.497 173 K N 1.680 122.009 120.400 -0.119 0.000 2.015 173 K HA -0.278 4.042 4.320 0.000 0.000 0.216 173 K C 2.118 178.529 176.600 -0.315 0.000 1.052 173 K CA 2.039 58.116 56.287 -0.349 0.000 0.937 173 K CB -0.110 32.020 32.500 -0.617 0.000 0.719 173 K HN 0.266 nan 8.250 nan 0.000 0.446 174 A N 1.439 124.122 122.820 -0.229 0.000 1.869 174 A HA -0.191 4.129 4.320 0.000 0.000 0.218 174 A C 1.037 178.553 177.584 -0.113 0.000 1.203 174 A CA 1.671 53.608 52.037 -0.167 0.000 0.638 174 A CB -0.524 18.398 19.000 -0.130 0.000 0.831 174 A HN 0.408 nan 8.150 nan 0.000 0.450 178 L N 1.961 123.180 121.223 -0.007 0.000 2.395 178 L HA 0.197 4.537 4.340 0.000 0.000 0.218 178 L C 0.099 176.968 176.870 -0.001 0.000 1.130 178 L CA 0.759 55.595 54.840 -0.007 0.000 0.826 178 L CB -0.044 42.008 42.059 -0.012 0.000 0.941 178 L HN 0.106 nan 8.230 nan 0.000 0.451 179 V N 1.191 121.107 119.914 0.004 0.000 2.368 179 V HA 0.151 4.271 4.120 0.000 0.000 0.266 179 V C -0.254 175.829 176.094 -0.018 0.000 1.045 179 V CA -0.376 61.920 62.300 -0.007 0.000 0.899 179 V CB 0.832 32.651 31.823 -0.007 0.000 1.006 179 V HN 0.120 nan 8.190 nan 0.000 0.470 180 K N 6.907 127.289 120.400 -0.031 0.000 2.244 180 K HA 0.551 4.871 4.320 0.000 0.000 0.260 180 K C -2.555 174.001 176.600 -0.072 0.000 0.951 180 K CA -1.745 54.520 56.287 -0.038 0.000 0.826 180 K CB 1.541 34.026 32.500 -0.024 0.000 1.108 180 K HN 0.391 nan 8.250 nan 0.000 0.433 181 P HA 0.143 nan 4.420 nan 0.000 0.281 181 P C -0.496 176.752 177.300 -0.087 0.000 1.252 181 P CA -0.399 62.631 63.100 -0.117 0.000 0.778 181 P CB 0.683 32.325 31.700 -0.096 0.000 0.895 182 L N 5.095 126.231 121.223 -0.146 0.000 2.483 182 L HA 0.156 4.496 4.340 0.000 0.000 0.275 182 L C -1.520 175.416 176.870 0.110 0.000 1.220 182 L CA -1.676 53.135 54.840 -0.050 0.000 0.833 182 L CB -0.447 41.516 42.059 -0.160 0.000 1.102 182 L HN 0.284 nan 8.230 nan 0.000 0.490 183 P HA 0.025 nan 4.420 nan 0.000 0.269 183 P C -0.690 176.760 177.300 0.251 0.000 1.215 183 P CA -0.093 63.090 63.100 0.139 0.000 0.780 183 P CB 1.500 33.253 31.700 0.088 0.000 0.898 184 S N 1.407 117.212 115.700 0.174 0.000 2.810 184 S HA 0.602 5.072 4.470 0.000 0.000 0.315 184 S C -0.305 174.332 174.600 0.061 0.000 1.138 184 S CA -1.009 57.308 58.200 0.195 0.000 0.889 184 S CB 0.612 63.950 63.200 0.229 0.000 1.236 184 S HN 0.270 nan 8.310 nan 0.000 0.548 185 I N 2.480 123.083 120.570 0.054 0.000 2.396 185 I HA 0.339 4.509 4.170 0.000 0.000 0.292 185 I C -1.212 174.884 176.117 -0.035 0.000 0.999 185 I CA -0.456 60.764 61.300 -0.133 0.000 1.310 185 I CB 1.005 38.813 38.000 -0.319 0.000 1.404 185 I HN 0.575 nan 8.210 nan 0.000 0.496 186 Y N 7.449 127.638 120.300 -0.186 0.000 2.333 186 Y HA 0.397 4.947 4.550 -0.000 0.000 0.324 186 Y C -1.709 174.321 175.900 0.216 0.000 1.033 186 Y CA -1.254 56.823 58.100 -0.038 0.000 1.224 186 Y CB 0.798 39.273 38.460 0.025 0.000 1.120 186 Y HN 0.370 nan 8.280 nan 0.000 0.457 187 Y N 8.895 129.086 120.300 -0.182 0.000 2.587 187 Y HA 0.255 4.805 4.550 -0.000 0.000 0.328 187 Y C -1.510 174.273 175.900 -0.195 0.000 0.980 187 Y CA -2.476 55.526 58.100 -0.163 0.000 1.272 187 Y CB 1.246 39.765 38.460 0.098 0.000 1.094 187 Y HN 0.498 nan 8.280 nan 0.000 0.503 188 P HA -0.240 nan 4.420 nan 0.000 0.217 188 P C 0.250 177.575 177.300 0.042 0.000 1.151 188 P CA 1.567 64.529 63.100 -0.230 0.000 0.849 188 P CB 0.380 31.945 31.700 -0.226 0.000 0.787 189 D N -1.539 118.883 120.400 0.037 0.000 2.358 189 D HA 0.007 4.647 4.640 0.000 0.000 0.241 189 D C 0.728 176.865 176.300 -0.272 0.000 1.094 189 D CA 0.531 54.463 54.000 -0.114 0.000 0.907 189 D CB -0.816 39.850 40.800 -0.224 0.000 0.893 189 D HN 0.301 nan 8.370 nan 0.000 0.528 190 F N -0.289 119.707 119.950 0.077 0.000 2.746 190 F HA 0.288 4.815 4.527 -0.000 0.000 0.320 190 F C 0.961 176.825 175.800 0.106 0.000 1.097 190 F CA -0.342 57.716 58.000 0.096 0.000 1.195 190 F CB 0.486 39.559 39.000 0.120 0.000 1.056 190 F HN -0.137 nan 8.300 nan 0.000 0.562 191 I N -3.560 117.156 120.570 0.242 0.000 3.493 191 I HA 0.801 4.971 4.170 0.000 0.000 0.315 191 I C -0.281 175.902 176.117 0.110 0.000 1.202 191 I CA -2.018 59.392 61.300 0.184 0.000 0.943 191 I CB 0.841 38.975 38.000 0.223 0.000 1.349 191 I HN -0.296 nan 8.210 nan 0.000 0.480 192 A N 0.909 123.764 122.820 0.059 0.000 2.548 192 A HA 0.476 4.796 4.320 0.000 0.000 0.247 192 A C 1.299 178.896 177.584 0.021 0.000 1.067 192 A CA 0.431 52.464 52.037 -0.006 0.000 0.757 192 A CB 0.164 19.104 19.000 -0.100 0.000 0.996 192 A HN 1.119 nan 8.150 nan 0.000 0.504 193 A N 3.017 125.843 122.820 0.009 0.000 2.084 193 A HA -0.140 4.180 4.320 0.000 0.000 0.221 193 A C 1.203 178.800 177.584 0.022 0.000 1.161 193 A CA 1.415 53.470 52.037 0.030 0.000 0.653 193 A CB -0.566 18.440 19.000 0.010 0.000 0.802 193 A HN 0.967 nan 8.150 nan 0.000 0.457 194 N N -0.096 118.579 118.700 -0.041 0.000 3.298 194 N HA 0.114 4.854 4.740 0.000 0.000 0.292 194 N C -0.255 175.204 175.510 -0.085 0.000 1.271 194 N CA -0.160 52.846 53.050 -0.073 0.000 1.184 194 N CB 0.708 39.102 38.487 -0.155 0.000 1.452 194 N HN 0.380 nan 8.380 nan 0.000 0.534 195 Q N -0.070 119.719 119.800 -0.017 0.000 2.081 195 Q HA 0.091 4.431 4.340 0.000 0.000 0.220 195 Q C 0.188 176.130 176.000 -0.097 0.000 0.775 195 Q CA -0.148 55.608 55.803 -0.078 0.000 0.983 195 Q CB 0.554 29.252 28.738 -0.068 0.000 1.188 195 Q HN 0.451 nan 8.270 nan 0.000 0.458 196 D N 1.302 121.717 120.400 0.025 0.000 2.263 196 D HA -0.175 4.465 4.640 0.000 0.000 0.208 196 D C 1.430 177.728 176.300 -0.003 0.000 0.971 196 D CA 0.987 55.022 54.000 0.059 0.000 0.867 196 D CB 0.493 41.347 40.800 0.090 0.000 0.929 196 D HN 0.418 nan 8.370 nan 0.000 0.492 197 E N 0.540 120.724 120.200 -0.027 0.000 2.140 197 E HA -0.016 4.334 4.350 0.000 0.000 0.191 197 E C 2.031 178.599 176.600 -0.053 0.000 0.973 197 E CA 0.123 56.508 56.400 -0.026 0.000 0.829 197 E CB 0.351 30.044 29.700 -0.012 0.000 0.781 197 E HN 0.091 nan 8.360 nan 0.000 0.466 198 R N 0.384 120.829 120.500 -0.092 0.000 2.119 198 R HA 0.128 4.468 4.340 0.000 0.000 0.222 198 R C 0.858 177.065 176.300 -0.155 0.000 1.088 198 R CA 0.586 56.618 56.100 -0.112 0.000 0.984 198 R CB -0.032 30.190 30.300 -0.129 0.000 0.884 198 R HN -0.030 nan 8.270 nan 0.000 0.447 199 A N 2.902 125.578 122.820 -0.241 0.000 2.639 199 A HA -0.005 4.314 4.320 0.000 0.000 0.295 199 A C -0.032 177.484 177.584 -0.112 0.000 1.443 199 A CA 0.117 51.974 52.037 -0.299 0.000 1.117 199 A CB -1.027 17.615 19.000 -0.598 0.000 1.098 199 A HN 0.699 nan 8.150 nan 0.000 0.552 200 N N 0.534 119.189 118.700 -0.076 0.000 2.390 200 N HA 0.101 4.841 4.740 0.000 0.000 0.259 200 N C -0.470 175.032 175.510 -0.014 0.000 1.395 200 N CA -0.467 52.567 53.050 -0.025 0.000 0.852 200 N CB 0.396 38.870 38.487 -0.021 0.000 1.371 200 N HN 0.332 nan 8.380 nan 0.000 0.491 201 N N 1.066 119.756 118.700 -0.017 0.000 2.651 201 N HA 0.230 4.970 4.740 0.000 0.000 0.277 201 N C -1.747 173.777 175.510 0.023 0.000 1.787 201 N CA -0.126 52.926 53.050 0.003 0.000 0.818 201 N CB 0.251 38.734 38.487 -0.007 0.000 1.316 201 N HN 0.275 nan 8.380 nan 0.000 0.503 202 C N 0.526 119.847 119.300 0.035 0.000 2.470 202 C HA 0.565 5.025 4.460 0.000 0.000 0.341 202 C C 2.154 177.158 174.990 0.023 0.000 1.190 202 C CA -0.865 58.180 59.018 0.045 0.000 1.904 202 C CB 0.814 28.610 27.740 0.093 0.000 2.354 202 C HN 0.615 nan 8.230 nan 0.000 0.509 203 I N -0.190 120.365 120.570 -0.024 0.000 4.035 203 I HA 0.157 4.327 4.170 0.000 0.000 0.321 203 I C 0.559 176.626 176.117 -0.083 0.000 1.289 203 I CA 0.316 61.591 61.300 -0.041 0.000 1.236 203 I CB -0.304 37.660 38.000 -0.060 0.000 1.076 203 I HN 0.695 nan 8.210 nan 0.000 0.418 204 N N 3.878 122.482 118.700 -0.160 0.000 3.188 204 N HA 0.331 5.071 4.740 0.000 0.000 0.279 204 N C -0.908 174.630 175.510 0.048 0.000 1.213 204 N CA -0.101 52.865 53.050 -0.140 0.000 1.138 204 N CB 0.804 39.094 38.487 -0.328 0.000 1.417 204 N HN 0.422 nan 8.380 nan 0.000 0.526 205 L N 0.680 121.943 121.223 0.067 0.000 2.365 205 L HA 0.370 4.710 4.340 0.000 0.000 0.273 205 L C 0.215 177.130 176.870 0.076 0.000 1.000 205 L CA -1.211 53.673 54.840 0.072 0.000 0.819 205 L CB 1.649 43.743 42.059 0.058 0.000 1.284 205 L HN 0.285 nan 8.230 nan 0.000 0.418 206 D N 0.455 120.895 120.400 0.066 0.000 2.376 206 D HA 0.032 4.672 4.640 0.000 0.000 0.268 206 D C 0.820 177.148 176.300 0.046 0.000 1.252 206 D CA -0.403 53.630 54.000 0.056 0.000 1.041 206 D CB 0.618 41.445 40.800 0.045 0.000 1.109 206 D HN 0.382 nan 8.370 nan 0.000 0.552 207 E N -0.240 119.982 120.200 0.038 0.000 2.049 207 E HA -0.204 4.146 4.350 0.000 0.000 0.198 207 E C 1.836 178.454 176.600 0.030 0.000 1.007 207 E CA 1.472 57.891 56.400 0.032 0.000 0.809 207 E CB -0.338 29.377 29.700 0.026 0.000 0.749 207 E HN 0.373 nan 8.360 nan 0.000 0.450 208 K N -0.796 119.622 120.400 0.029 0.000 1.984 208 K HA -0.016 4.304 4.320 0.000 0.000 0.209 208 K C 1.441 178.059 176.600 0.031 0.000 1.046 208 K CA 1.399 57.703 56.287 0.028 0.000 0.934 208 K CB -0.119 32.396 32.500 0.026 0.000 0.717 208 K HN 0.302 nan 8.250 nan 0.000 0.438 209 G N 0.099 108.921 108.800 0.037 0.000 2.334 209 G HA2 -0.088 3.872 3.960 0.000 0.000 0.222 209 G HA3 -0.088 3.872 3.960 0.000 0.000 0.222 209 G C -1.018 173.912 174.900 0.049 0.000 1.077 209 G CA -0.800 44.325 45.100 0.041 0.000 0.861 209 G HN 0.096 nan 8.290 nan 0.000 0.508 210 N N 0.248 118.979 118.700 0.052 0.000 2.370 210 N HA 0.509 5.249 4.740 0.000 0.000 0.303 210 N C 0.438 175.992 175.510 0.073 0.000 1.103 210 N CA -0.478 52.608 53.050 0.060 0.000 0.848 210 N CB 2.459 40.974 38.487 0.048 0.000 1.235 210 N HN 0.004 nan 8.380 nan 0.000 0.496 211 V N 1.076 121.047 119.914 0.096 0.000 2.557 211 V HA 0.050 4.170 4.120 0.000 0.000 0.301 211 V C 0.935 177.071 176.094 0.070 0.000 1.026 211 V CA 0.635 63.001 62.300 0.111 0.000 1.137 211 V CB 0.428 32.347 31.823 0.160 0.000 0.917 211 V HN 0.698 nan 8.190 nan 0.000 0.484 212 T N 2.479 117.084 114.554 0.084 0.000 2.912 212 T HA 0.406 4.756 4.350 0.000 0.000 0.299 212 T C 0.519 175.269 174.700 0.083 0.000 1.052 212 T CA 0.055 62.193 62.100 0.063 0.000 0.996 212 T CB 1.640 70.550 68.868 0.071 0.000 1.070 212 T HN 0.900 nan 8.240 nan 0.000 0.465 213 T N 1.449 115.975 114.554 -0.048 0.000 3.278 213 T HA 0.327 4.677 4.350 0.000 0.000 0.251 213 T C 0.548 175.159 174.700 -0.149 0.000 1.039 213 T CA -0.405 61.531 62.100 -0.274 0.000 0.935 213 T CB -0.260 68.345 68.868 -0.437 0.000 1.034 213 T HN 0.486 nan 8.240 nan 0.000 0.575 214 R N 0.529 121.030 120.500 0.001 0.000 2.346 214 R HA 0.523 4.863 4.340 0.000 0.000 0.311 214 R C 0.600 176.878 176.300 -0.037 0.000 0.983 214 R CA 0.352 56.439 56.100 -0.022 0.000 0.880 214 R CB 0.503 30.802 30.300 -0.002 0.000 1.100 214 R HN 0.441 nan 8.270 nan 0.000 0.453 215 G N 3.493 112.206 108.800 -0.146 0.000 2.203 215 G HA2 -0.228 3.732 3.960 0.000 0.000 0.231 215 G HA3 -0.228 3.732 3.960 0.000 0.000 0.231 215 G C 0.504 174.965 174.900 -0.730 0.000 1.058 215 G CA 0.189 45.134 45.100 -0.257 0.000 0.781 215 G HN 0.742 nan 8.290 nan 0.000 0.496 216 K N -1.033 119.070 120.400 -0.495 0.000 2.063 216 K HA -0.127 4.193 4.320 0.000 0.000 0.208 216 K C 2.031 178.515 176.600 -0.193 0.000 1.048 216 K CA 1.530 57.595 56.287 -0.371 0.000 0.928 216 K CB -0.090 32.416 32.500 0.009 0.000 0.713 216 K HN 0.623 nan 8.250 nan 0.000 0.442 217 W N 2.588 123.758 121.300 -0.216 0.000 2.374 217 W HA -0.201 4.459 4.660 0.000 0.000 0.288 217 W C 1.885 178.335 176.519 -0.117 0.000 1.218 217 W CA 2.154 59.422 57.345 -0.129 0.000 1.245 217 W CB -0.141 29.264 29.460 -0.092 0.000 1.126 217 W HN 0.223 nan 8.180 nan 0.000 0.545 218 T N -2.712 111.792 114.554 -0.083 0.000 2.857 218 T HA -0.219 4.131 4.350 0.000 0.000 0.266 218 T C 1.463 176.121 174.700 -0.069 0.000 1.048 218 T CA 1.757 63.814 62.100 -0.072 0.000 1.139 218 T CB -1.044 67.832 68.868 0.014 0.000 0.874 218 T HN 0.362 nan 8.240 nan 0.000 0.455 219 H N 0.657 119.658 119.070 -0.116 0.000 2.321 219 H HA 0.096 4.652 4.556 0.000 0.000 0.300 219 H C 2.425 177.557 175.328 -0.327 0.000 1.087 219 H CA 1.222 57.166 56.048 -0.175 0.000 1.319 219 H CB -0.151 29.545 29.762 -0.111 0.000 1.379 219 H HN 0.201 nan 8.280 nan 0.000 0.501 220 L N 0.976 122.032 121.223 -0.278 0.000 2.042 220 L HA -0.256 4.084 4.340 0.000 0.000 0.210 220 L C 2.213 178.800 176.870 -0.471 0.000 1.076 220 L CA 1.353 55.914 54.840 -0.466 0.000 0.749 220 L CB -0.190 41.493 42.059 -0.627 0.000 0.893 220 L HN 0.371 nan 8.230 nan 0.000 0.432 221 Q N -0.838 118.674 119.800 -0.479 0.000 2.124 221 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 221 Q C 2.229 178.115 176.000 -0.190 0.000 0.977 221 Q CA 1.529 57.129 55.803 -0.339 0.000 0.850 221 Q CB -0.132 28.450 28.738 -0.260 0.000 0.901 221 Q HN 0.314 nan 8.270 nan 0.000 0.429 222 R N 1.092 121.498 120.500 -0.157 0.000 2.070 222 R HA -0.134 4.206 4.340 0.000 0.000 0.233 222 R C 1.827 178.074 176.300 -0.089 0.000 1.137 222 R CA 1.467 57.515 56.100 -0.087 0.000 0.945 222 R CB -0.690 29.573 30.300 -0.063 0.000 0.845 222 R HN 0.151 nan 8.270 nan 0.000 0.430 223 I N 1.131 121.560 120.570 -0.235 0.000 2.264 223 I HA -0.239 3.931 4.170 0.000 0.000 0.248 223 I C 2.388 178.465 176.117 -0.065 0.000 1.111 223 I CA 1.427 62.567 61.300 -0.267 0.000 1.382 223 I CB -0.466 37.086 38.000 -0.747 0.000 1.060 223 I HN 0.151 nan 8.210 nan 0.000 0.418 224 R N -0.250 120.172 120.500 -0.130 0.000 2.083 224 R HA -0.196 4.144 4.340 0.000 0.000 0.237 224 R C 2.434 178.744 176.300 0.017 0.000 1.137 224 R CA 1.409 57.471 56.100 -0.062 0.000 0.951 224 R CB -0.500 29.724 30.300 -0.126 0.000 0.851 224 R HN 0.205 nan 8.270 nan 0.000 0.434 225 R N 1.301 121.806 120.500 0.007 0.000 2.073 225 R HA -0.119 4.221 4.340 0.000 0.000 0.234 225 R C 1.695 178.055 176.300 0.100 0.000 1.134 225 R CA 1.878 58.003 56.100 0.041 0.000 0.952 225 R CB -0.546 29.770 30.300 0.026 0.000 0.850 225 R HN 0.177 nan 8.270 nan 0.000 0.433 226 D N 0.092 120.584 120.400 0.153 0.000 2.133 226 D HA -0.196 4.444 4.640 0.000 0.000 0.195 226 D C 1.925 178.373 176.300 0.247 0.000 0.997 226 D CA 1.668 55.807 54.000 0.231 0.000 0.840 226 D CB -0.187 40.882 40.800 0.448 0.000 0.947 226 D HN 0.334 nan 8.370 nan 0.000 0.452 227 I N 0.769 121.509 120.570 0.283 0.000 2.142 227 I HA -0.310 3.860 4.170 0.000 0.000 0.240 227 I C 2.561 178.805 176.117 0.212 0.000 1.078 227 I CA 1.183 62.650 61.300 0.280 0.000 1.343 227 I CB -0.355 37.791 38.000 0.244 0.000 1.046 227 I HN -0.009 nan 8.210 nan 0.000 0.405 228 Q N 0.676 120.557 119.800 0.135 0.000 2.045 228 Q HA -0.229 4.111 4.340 0.000 0.000 0.206 228 Q C 2.116 178.160 176.000 0.074 0.000 0.991 228 Q CA 1.804 57.656 55.803 0.082 0.000 0.851 228 Q CB -0.263 28.507 28.738 0.052 0.000 0.911 228 Q HN 0.500 nan 8.270 nan 0.000 0.418 229 N N 0.272 119.027 118.700 0.091 0.000 2.043 229 N HA -0.174 4.566 4.740 0.000 0.000 0.193 229 N C 1.579 177.138 175.510 0.082 0.000 1.037 229 N CA 1.106 54.200 53.050 0.074 0.000 0.851 229 N CB -0.518 38.017 38.487 0.080 0.000 1.027 229 N HN 0.184 nan 8.380 nan 0.000 0.422 230 F N 2.350 122.290 119.950 -0.016 0.000 2.091 230 F HA -0.169 4.358 4.527 0.000 0.000 0.299 230 F C 2.303 178.087 175.800 -0.027 0.000 1.103 230 F CA 1.566 59.541 58.000 -0.042 0.000 1.228 230 F CB -0.258 38.696 39.000 -0.077 0.000 0.984 230 F HN -0.057 nan 8.300 nan 0.000 0.477 231 K N 0.059 120.373 120.400 -0.143 0.000 2.283 231 K HA -0.205 4.115 4.320 0.000 0.000 0.202 231 K C 2.142 178.632 176.600 -0.183 0.000 1.048 231 K CA 1.504 57.654 56.287 -0.227 0.000 0.948 231 K CB -0.203 32.273 32.500 -0.040 0.000 0.742 231 K HN 0.555 nan 8.250 nan 0.000 0.458 232 E N 0.409 120.542 120.200 -0.111 0.000 2.075 232 E HA -0.133 4.217 4.350 0.000 0.000 0.190 232 E C 1.493 178.036 176.600 -0.095 0.000 0.969 232 E CA 0.638 56.991 56.400 -0.078 0.000 0.815 232 E CB 0.169 29.850 29.700 -0.032 0.000 0.776 232 E HN 0.246 nan 8.360 nan 0.000 0.457 233 E N 0.755 120.898 120.200 -0.094 0.000 2.130 233 E HA -0.109 4.241 4.350 0.000 0.000 0.196 233 E C -0.048 176.480 176.600 -0.120 0.000 0.998 233 E CA 0.969 57.321 56.400 -0.081 0.000 0.806 233 E CB 0.083 29.754 29.700 -0.047 0.000 0.738 233 E HN 0.152 nan 8.360 nan 0.000 0.459 234 N N 0.058 118.626 118.700 -0.220 0.000 2.444 234 N HA 0.260 5.000 4.740 0.000 0.000 0.262 234 N C -1.109 174.282 175.510 -0.198 0.000 0.974 234 N CA -0.114 52.800 53.050 -0.225 0.000 0.933 234 N CB 1.793 40.059 38.487 -0.368 0.000 1.137 234 N HN -0.003 nan 8.380 nan 0.000 0.498 235 A N 3.891 126.639 122.820 -0.121 0.000 3.152 235 A HA 0.082 4.402 4.320 0.000 0.000 0.280 235 A C 0.335 177.861 177.584 -0.098 0.000 2.009 235 A CA 0.355 52.337 52.037 -0.092 0.000 1.494 235 A CB -0.994 17.971 19.000 -0.058 0.000 0.941 235 A HN 0.594 nan 8.150 nan 0.000 0.601 236 L N 0.148 121.290 121.223 -0.134 0.000 2.330 236 L HA 0.458 4.798 4.340 0.000 0.000 0.271 236 L C 0.329 177.154 176.870 -0.076 0.000 1.013 236 L CA -0.735 54.034 54.840 -0.118 0.000 0.816 236 L CB 1.688 43.626 42.059 -0.201 0.000 1.287 236 L HN 0.420 nan 8.230 nan 0.000 0.435 237 D N -0.419 119.955 120.400 -0.044 0.000 2.469 237 D HA 0.104 4.744 4.640 0.000 0.000 0.240 237 D C -0.006 176.288 176.300 -0.010 0.000 1.087 237 D CA 0.461 54.446 54.000 -0.025 0.000 0.876 237 D CB 1.059 41.848 40.800 -0.019 0.000 1.160 237 D HN 0.279 nan 8.370 nan 0.000 0.497 238 K N 1.342 121.742 120.400 -0.000 0.000 2.221 238 K HA 0.617 4.937 4.320 0.000 0.000 0.258 238 K C -0.456 176.169 176.600 0.042 0.000 0.944 238 K CA -0.683 55.616 56.287 0.020 0.000 0.823 238 K CB 3.202 35.718 32.500 0.027 0.000 1.113 238 K HN -0.212 nan 8.250 nan 0.000 0.431 239 V N 3.422 123.376 119.914 0.066 0.000 2.971 239 V HA 0.544 4.664 4.120 0.000 0.000 0.309 239 V C -0.596 175.553 176.094 0.092 0.000 1.130 239 V CA -0.912 61.458 62.300 0.115 0.000 0.964 239 V CB 2.484 34.423 31.823 0.193 0.000 1.029 239 V HN 0.625 nan 8.190 nan 0.000 0.427 240 I N 2.836 123.445 120.570 0.065 0.000 2.533 240 I HA 0.520 4.690 4.170 0.000 0.000 0.290 240 I C -0.960 175.198 176.117 0.068 0.000 1.056 240 I CA -0.955 60.377 61.300 0.054 0.000 1.057 240 I CB 2.360 40.347 38.000 -0.022 0.000 1.240 240 I HN 0.265 nan 8.210 nan 0.000 0.423 241 V N 6.551 126.554 119.914 0.149 0.000 2.370 241 V HA 0.377 4.497 4.120 0.000 0.000 0.279 241 V C -0.370 175.743 176.094 0.032 0.000 1.029 241 V CA -0.562 61.865 62.300 0.213 0.000 0.870 241 V CB 1.823 33.934 31.823 0.480 0.000 0.984 241 V HN 0.392 nan 8.190 nan 0.000 0.451 242 L N 5.870 127.088 121.223 -0.008 0.000 2.343 242 L HA 0.463 4.803 4.340 0.000 0.000 0.278 242 L C -0.747 176.090 176.870 -0.055 0.000 0.996 242 L CA -0.365 54.418 54.840 -0.095 0.000 0.831 242 L CB 1.453 43.462 42.059 -0.083 0.000 1.232 242 L HN 0.879 nan 8.230 nan 0.000 0.413 243 W N 6.745 127.866 121.300 -0.298 0.000 2.388 243 W HA 0.308 4.968 4.660 -0.000 0.000 0.308 243 W C -0.871 175.556 176.519 -0.152 0.000 1.263 243 W CA -0.173 57.042 57.345 -0.216 0.000 1.286 243 W CB 1.011 30.339 29.460 -0.220 0.000 1.294 243 W HN 0.633 nan 8.180 nan 0.000 0.493 244 T N 4.785 119.063 114.554 -0.460 0.000 3.442 244 T HA 0.324 4.674 4.350 0.000 0.000 0.295 244 T C 0.449 174.868 174.700 -0.469 0.000 1.007 244 T CA -0.249 61.672 62.100 -0.300 0.000 0.962 244 T CB 0.212 68.973 68.868 -0.179 0.000 1.187 244 T HN 0.439 nan 8.240 nan 0.000 0.490 245 A N 1.485 123.709 122.820 -0.993 0.000 2.252 245 A HA 0.633 4.953 4.320 0.000 0.000 0.305 245 A C 0.469 177.926 177.584 -0.211 0.000 1.097 245 A CA -0.695 50.887 52.037 -0.757 0.000 0.849 245 A CB 0.365 18.554 19.000 -1.351 0.000 1.142 245 A HN 0.336 nan 8.150 nan 0.000 0.499 246 N N 0.382 119.031 118.700 -0.086 0.000 2.329 246 N HA 0.025 4.765 4.740 0.000 0.000 0.237 246 N C -0.017 175.624 175.510 0.220 0.000 1.258 246 N CA 0.686 53.772 53.050 0.060 0.000 0.866 246 N CB 0.188 38.693 38.487 0.030 0.000 1.102 246 N HN 0.616 nan 8.380 nan 0.000 0.440 247 T N 2.285 116.950 114.554 0.184 0.000 2.902 247 T HA 0.049 4.399 4.350 0.000 0.000 0.301 247 T C 0.527 175.342 174.700 0.192 0.000 1.012 247 T CA 0.101 62.317 62.100 0.194 0.000 1.151 247 T CB 0.373 69.327 68.868 0.143 0.000 0.946 247 T HN 0.308 nan 8.240 nan 0.000 0.542 248 E N 1.467 121.767 120.200 0.167 0.000 2.250 248 E HA 0.391 4.741 4.350 0.000 0.000 0.265 248 E C 0.289 176.998 176.600 0.182 0.000 1.033 248 E CA -1.085 55.431 56.400 0.195 0.000 0.888 248 E CB 1.091 30.869 29.700 0.129 0.000 1.151 248 E HN 0.567 nan 8.360 nan 0.000 0.412 249 R N 0.437 121.080 120.500 0.238 0.000 2.582 249 R HA 0.156 4.496 4.340 0.000 0.000 0.271 249 R C -0.846 175.604 176.300 0.250 0.000 1.078 249 R CA -0.429 55.802 56.100 0.219 0.000 1.127 249 R CB 0.207 30.569 30.300 0.103 0.000 1.038 249 R HN 0.400 nan 8.270 nan 0.000 0.500 250 Y N 1.148 121.482 120.300 0.056 0.000 2.550 250 Y HA 0.131 4.681 4.550 0.000 0.000 0.343 250 Y C 0.636 176.578 175.900 0.070 0.000 1.245 250 Y CA -0.011 58.120 58.100 0.051 0.000 1.462 250 Y CB 0.676 39.154 38.460 0.030 0.000 1.340 250 Y HN 0.404 nan 8.280 nan 0.000 0.604 251 V N 3.308 123.329 119.914 0.178 0.000 2.667 251 V HA 0.295 4.415 4.120 0.000 0.000 0.308 251 V C -0.442 175.730 176.094 0.130 0.000 1.048 251 V CA -0.977 61.420 62.300 0.162 0.000 0.928 251 V CB 1.680 33.599 31.823 0.161 0.000 1.004 251 V HN 0.853 nan 8.190 nan 0.000 0.444 252 E N 3.873 124.139 120.200 0.110 0.000 2.316 252 E HA 0.265 4.615 4.350 0.000 0.000 0.275 252 E C -0.890 175.748 176.600 0.064 0.000 1.029 252 E CA -0.477 55.973 56.400 0.084 0.000 0.871 252 E CB 1.361 31.104 29.700 0.072 0.000 1.022 252 E HN 0.595 nan 8.360 nan 0.000 0.418 253 V N 4.898 124.845 119.914 0.055 0.000 2.276 253 V HA 0.078 4.198 4.120 0.000 0.000 0.249 253 V C -0.202 175.905 176.094 0.022 0.000 1.160 253 V CA -0.262 62.060 62.300 0.036 0.000 1.042 253 V CB 0.179 32.028 31.823 0.044 0.000 1.224 253 V HN 0.522 nan 8.190 nan 0.000 0.496 254 S N 7.174 122.876 115.700 0.004 0.000 2.499 254 S HA 0.402 4.872 4.470 0.000 0.000 0.279 254 S C -2.170 172.418 174.600 -0.020 0.000 1.219 254 S CA -0.890 57.308 58.200 -0.003 0.000 1.062 254 S CB 1.263 64.462 63.200 -0.002 0.000 0.978 254 S HN 0.555 nan 8.310 nan 0.000 0.489 255 P HA 0.226 nan 4.420 nan 0.000 0.271 255 P C 0.769 178.060 177.300 -0.015 0.000 1.216 255 P CA 0.377 63.473 63.100 -0.006 0.000 0.771 255 P CB 0.637 32.340 31.700 0.004 0.000 0.864 256 G N 1.455 110.243 108.800 -0.021 0.000 2.176 256 G HA2 -0.238 3.722 3.960 0.000 0.000 0.253 256 G HA3 -0.238 3.722 3.960 0.000 0.000 0.253 256 G C 0.414 175.284 174.900 -0.051 0.000 0.979 256 G CA 0.211 45.297 45.100 -0.024 0.000 0.641 256 G HN 0.417 nan 8.290 nan 0.000 0.530 257 V N 0.636 120.496 119.914 -0.090 0.000 3.430 257 V HA 0.255 4.375 4.120 0.000 0.000 0.211 257 V C 1.348 177.361 176.094 -0.134 0.000 1.173 257 V CA 1.202 63.392 62.300 -0.184 0.000 1.310 257 V CB 0.105 31.695 31.823 -0.387 0.000 1.361 257 V HN 0.577 nan 8.190 nan 0.000 0.512 258 N N 0.667 119.302 118.700 -0.109 0.000 2.541 258 N HA 0.051 4.791 4.740 0.000 0.000 0.297 258 N C 0.068 175.567 175.510 -0.017 0.000 1.503 258 N CA 0.245 53.263 53.050 -0.054 0.000 0.919 258 N CB 0.223 38.680 38.487 -0.051 0.000 1.305 258 N HN 0.678 nan 8.380 nan 0.000 0.501 259 D N -0.852 119.540 120.400 -0.014 0.000 2.423 259 D HA -0.008 4.632 4.640 0.000 0.000 0.212 259 D C 0.468 176.777 176.300 0.015 0.000 1.060 259 D CA 0.437 54.441 54.000 0.006 0.000 0.872 259 D CB 0.250 41.051 40.800 0.003 0.000 1.012 259 D HN 0.298 nan 8.370 nan 0.000 0.503 263 N N 1.949 120.645 118.700 -0.005 0.000 2.080 263 N HA -0.048 4.692 4.740 0.000 0.000 0.189 263 N C 2.041 177.543 175.510 -0.013 0.000 1.036 263 N CA 1.450 54.490 53.050 -0.017 0.000 0.846 263 N CB -0.220 38.253 38.487 -0.023 0.000 1.015 263 N HN 0.073 nan 8.380 nan 0.000 0.423 264 L N 1.390 122.614 121.223 0.002 0.000 1.963 264 L HA -0.185 4.155 4.340 0.000 0.000 0.220 264 L C 1.996 178.898 176.870 0.052 0.000 1.076 264 L CA 1.587 56.437 54.840 0.017 0.000 0.772 264 L CB -1.029 41.050 42.059 0.032 0.000 0.892 264 L HN 0.051 nan 8.230 nan 0.000 0.435 265 L N -0.544 120.728 121.223 0.081 0.000 2.081 265 L HA -0.239 4.101 4.340 0.000 0.000 0.212 265 L C 2.652 179.529 176.870 0.012 0.000 1.080 265 L CA 1.565 56.490 54.840 0.143 0.000 0.754 265 L CB -1.046 41.096 42.059 0.140 0.000 0.893 265 L HN 0.418 nan 8.230 nan 0.000 0.433 266 Q N -0.669 119.106 119.800 -0.041 0.000 2.046 266 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 266 Q C 2.481 178.466 176.000 -0.025 0.000 0.975 266 Q CA 1.732 57.487 55.803 -0.079 0.000 0.836 266 Q CB -0.367 28.333 28.738 -0.063 0.000 0.896 266 Q HN 0.510 nan 8.270 nan 0.000 0.428 267 S N 1.074 116.779 115.700 0.008 0.000 2.365 267 S HA -0.152 4.318 4.470 0.000 0.000 0.225 267 S C 2.071 176.729 174.600 0.097 0.000 1.039 267 S CA 1.194 59.423 58.200 0.049 0.000 1.033 267 S CB -0.349 62.839 63.200 -0.021 0.000 0.887 267 S HN 0.327 nan 8.310 nan 0.000 0.447 268 I N 1.455 122.091 120.570 0.110 0.000 2.163 268 I HA -0.250 3.920 4.170 0.000 0.000 0.243 268 I C 2.360 178.571 176.117 0.157 0.000 1.085 268 I CA 1.345 62.745 61.300 0.167 0.000 1.347 268 I CB -0.400 37.769 38.000 0.280 0.000 1.044 268 I HN 0.246 nan 8.210 nan 0.000 0.408 269 K N 0.709 121.167 120.400 0.096 0.000 2.152 269 K HA -0.144 4.176 4.320 0.000 0.000 0.206 269 K C 1.324 177.911 176.600 -0.022 0.000 1.048 269 K CA 1.261 57.531 56.287 -0.029 0.000 0.933 269 K CB -0.249 32.072 32.500 -0.298 0.000 0.721 269 K HN 0.368 nan 8.250 nan 0.000 0.447 270 N N 1.207 119.906 118.700 -0.002 0.000 2.336 270 N HA -0.043 4.697 4.740 0.000 0.000 0.189 270 N C -0.812 174.705 175.510 0.012 0.000 1.113 270 N CA 0.473 53.523 53.050 0.001 0.000 0.858 270 N CB 0.316 38.814 38.487 0.019 0.000 0.970 270 N HN 0.078 nan 8.380 nan 0.000 0.471 271 D N 0.841 121.258 120.400 0.028 0.000 2.689 271 D HA -0.214 4.426 4.640 0.000 0.000 0.237 271 D C -0.008 176.305 176.300 0.022 0.000 1.148 271 D CA 0.820 54.823 54.000 0.004 0.000 0.656 271 D CB -1.847 38.918 40.800 -0.058 0.000 1.050 271 D HN 0.445 nan 8.370 nan 0.000 0.426 272 H N 1.210 120.279 119.070 -0.002 0.000 2.815 272 H HA 0.007 4.563 4.556 -0.000 0.000 0.350 272 H C 1.373 176.723 175.328 0.036 0.000 1.080 272 H CA 0.487 56.541 56.048 0.011 0.000 1.433 272 H CB 1.158 30.933 29.762 0.021 0.000 1.432 272 H HN 0.091 nan 8.280 nan 0.000 0.592 273 E N 3.607 123.771 120.200 -0.059 0.000 2.267 273 E HA -0.203 4.147 4.350 0.000 0.000 0.197 273 E C 1.156 177.980 176.600 0.372 0.000 0.998 273 E CA 0.928 57.391 56.400 0.105 0.000 0.830 273 E CB 0.266 29.932 29.700 -0.056 0.000 0.751 273 E HN 0.650 nan 8.360 nan 0.000 0.491 274 E N -0.224 120.340 120.200 0.607 0.000 2.338 274 E HA -0.046 4.304 4.350 0.000 0.000 0.197 274 E C -0.100 176.664 176.600 0.274 0.000 1.007 274 E CA 0.133 56.754 56.400 0.369 0.000 0.849 274 E CB 0.037 29.814 29.700 0.129 0.000 0.774 274 E HN 0.096 nan 8.360 nan 0.000 0.506 275 I N 1.049 121.774 120.570 0.257 0.000 2.322 275 I HA 0.202 4.372 4.170 0.000 0.000 0.292 275 I C 0.137 176.271 176.117 0.029 0.000 1.060 275 I CA -0.354 61.022 61.300 0.126 0.000 1.309 275 I CB 0.776 38.850 38.000 0.124 0.000 1.415 275 I HN -0.083 nan 8.210 nan 0.000 0.492 276 A N 9.511 132.191 122.820 -0.233 0.000 2.264 276 A HA 0.671 4.991 4.320 0.000 0.000 0.304 276 A C -1.526 175.794 177.584 -0.441 0.000 1.100 276 A CA -1.234 50.313 52.037 -0.816 0.000 0.839 276 A CB 0.194 18.711 19.000 -0.805 0.000 1.121 276 A HN 0.582 nan 8.150 nan 0.000 0.496 277 P HA -0.194 nan 4.420 nan 0.000 0.218 277 P C 1.491 178.773 177.300 -0.030 0.000 1.148 277 P CA 2.149 65.038 63.100 -0.351 0.000 0.822 277 P CB -0.052 31.423 31.700 -0.374 0.000 0.784 278 S N -0.924 114.595 115.700 -0.302 0.000 2.382 278 S HA -0.123 4.347 4.470 0.000 0.000 0.228 278 S C 1.981 176.353 174.600 -0.381 0.000 1.027 278 S CA 1.848 59.711 58.200 -0.563 0.000 0.991 278 S CB -1.976 60.462 63.200 -1.271 0.000 0.823 278 S HN 0.118 nan 8.310 nan 0.000 0.469 279 T N 2.871 117.220 114.554 -0.341 0.000 2.746 279 T HA 0.079 4.429 4.350 0.000 0.000 0.267 279 T C 1.734 176.295 174.700 -0.231 0.000 1.039 279 T CA 1.589 63.525 62.100 -0.273 0.000 1.142 279 T CB -0.479 68.281 68.868 -0.179 0.000 0.866 279 T HN 0.418 nan 8.240 nan 0.000 0.444 280 I N -0.116 120.341 120.570 -0.189 0.000 2.252 280 I HA -0.108 4.062 4.170 0.000 0.000 0.245 280 I C 2.050 177.965 176.117 -0.337 0.000 1.102 280 I CA 1.365 62.524 61.300 -0.235 0.000 1.385 280 I CB -0.399 37.458 38.000 -0.240 0.000 1.064 280 I HN 0.154 nan 8.210 nan 0.000 0.414 281 F N 1.103 120.834 119.950 -0.366 0.000 2.095 281 F HA -0.248 4.279 4.527 0.000 0.000 0.298 281 F C 2.673 178.124 175.800 -0.583 0.000 1.104 281 F CA 1.670 59.424 58.000 -0.409 0.000 1.232 281 F CB -0.801 38.069 39.000 -0.216 0.000 0.987 281 F HN 0.005 nan 8.300 nan 0.000 0.475 282 A N 0.082 122.452 122.820 -0.751 0.000 1.865 282 A HA -0.174 4.146 4.320 0.000 0.000 0.217 282 A C 2.415 179.739 177.584 -0.433 0.000 1.191 282 A CA 2.142 53.488 52.037 -1.152 0.000 0.623 282 A CB -1.467 16.945 19.000 -0.980 0.000 0.826 282 A HN 0.341 nan 8.150 nan 0.000 0.444 283 A N -0.230 122.414 122.820 -0.292 0.000 1.883 283 A HA 0.089 4.409 4.320 0.000 0.000 0.217 283 A C 2.540 180.025 177.584 -0.165 0.000 1.186 283 A CA 2.469 54.407 52.037 -0.165 0.000 0.624 283 A CB -1.150 17.770 19.000 -0.135 0.000 0.822 283 A HN 1.198 nan 8.150 nan 0.000 0.444 284 A N -0.654 122.026 122.820 -0.232 0.000 1.940 284 A HA -0.079 4.241 4.320 0.000 0.000 0.219 284 A C 2.438 179.960 177.584 -0.103 0.000 1.176 284 A CA 2.145 54.054 52.037 -0.214 0.000 0.631 284 A CB -0.816 17.999 19.000 -0.308 0.000 0.814 284 A HN 0.475 nan 8.150 nan 0.000 0.446 285 S N -0.187 115.472 115.700 -0.067 0.000 2.368 285 S HA -0.070 4.400 4.470 0.000 0.000 0.224 285 S C 1.789 176.418 174.600 0.049 0.000 1.029 285 S CA 1.385 59.621 58.200 0.060 0.000 0.988 285 S CB -0.455 62.858 63.200 0.188 0.000 0.838 285 S HN 0.560 nan 8.310 nan 0.000 0.462 286 I N 1.414 121.993 120.570 0.016 0.000 2.286 286 I HA -0.141 4.029 4.170 0.000 0.000 0.248 286 I C 1.787 177.900 176.117 -0.007 0.000 1.115 286 I CA 1.082 62.396 61.300 0.023 0.000 1.392 286 I CB -0.362 37.653 38.000 0.025 0.000 1.065 286 I HN 0.220 nan 8.210 nan 0.000 0.418 287 L N 0.197 121.403 121.223 -0.028 0.000 2.465 287 L HA -0.090 4.250 4.340 0.000 0.000 0.224 287 L C 1.803 178.656 176.870 -0.028 0.000 1.145 287 L CA 0.700 55.519 54.840 -0.035 0.000 0.834 287 L CB -0.282 41.743 42.059 -0.056 0.000 0.944 287 L HN 0.228 nan 8.230 nan 0.000 0.451 288 E N -0.150 120.042 120.200 -0.012 0.000 2.498 288 E HA 0.126 4.476 4.350 0.000 0.000 0.203 288 E C 1.389 177.992 176.600 0.005 0.000 1.013 288 E CA 0.574 56.976 56.400 0.004 0.000 0.927 288 E CB 0.755 30.474 29.700 0.032 0.000 1.012 288 E HN 0.363 nan 8.360 nan 0.000 0.482 289 G N 1.248 110.044 108.800 -0.007 0.000 2.153 289 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 289 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 289 G C 0.379 175.273 174.900 -0.010 0.000 0.994 289 G CA 0.553 45.636 45.100 -0.027 0.000 0.698 289 G HN 0.165 nan 8.290 nan 0.000 0.521 290 V N 2.506 122.446 119.914 0.043 0.000 2.439 290 V HA 0.477 4.597 4.120 0.000 0.000 0.282 290 V C -1.320 174.855 176.094 0.136 0.000 1.039 290 V CA -1.605 60.747 62.300 0.087 0.000 0.913 290 V CB 1.703 33.608 31.823 0.137 0.000 0.983 290 V HN 0.220 nan 8.190 nan 0.000 0.460 291 P HA 0.068 nan 4.420 nan 0.000 0.271 291 P C -1.347 176.118 177.300 0.276 0.000 1.226 291 P CA 0.010 63.241 63.100 0.219 0.000 0.765 291 P CB 0.376 32.214 31.700 0.229 0.000 0.835 292 Y N 4.787 125.201 120.300 0.190 0.000 2.331 292 Y HA 0.504 5.054 4.550 0.000 0.000 0.338 292 Y C -0.311 175.756 175.900 0.280 0.000 0.992 292 Y CA -0.779 57.461 58.100 0.233 0.000 1.121 292 Y CB 0.906 39.529 38.460 0.271 0.000 1.184 292 Y HN 0.228 nan 8.280 nan 0.000 0.469 293 I N 6.006 126.390 120.570 -0.310 0.000 2.418 293 I HA 0.225 4.395 4.170 0.000 0.000 0.287 293 I C -0.876 175.052 176.117 -0.316 0.000 1.008 293 I CA -0.914 60.295 61.300 -0.152 0.000 1.104 293 I CB 1.558 39.522 38.000 -0.061 0.000 1.264 293 I HN 0.589 nan 8.210 nan 0.000 0.438 294 N N 4.701 123.380 118.700 -0.036 0.000 2.420 294 N HA 0.297 5.037 4.740 0.000 0.000 0.249 294 N C 0.553 176.097 175.510 0.056 0.000 1.033 294 N CA -0.299 52.714 53.050 -0.063 0.000 0.944 294 N CB 1.432 39.854 38.487 -0.109 0.000 1.113 294 N HN 0.737 nan 8.380 nan 0.000 0.502 295 G N 1.519 110.385 108.800 0.110 0.000 3.609 295 G HA2 0.175 4.135 3.960 0.000 0.000 0.280 295 G HA3 0.175 4.135 3.960 0.000 0.000 0.280 295 G C -0.481 174.512 174.900 0.155 0.000 1.155 295 G CA -0.283 44.890 45.100 0.122 0.000 0.876 295 G HN 0.488 nan 8.290 nan 0.000 0.535 296 S N 0.391 116.176 115.700 0.141 0.000 2.599 296 S HA 0.539 5.009 4.470 0.000 0.000 0.287 296 S C -2.826 171.783 174.600 0.015 0.000 1.105 296 S CA -1.061 57.213 58.200 0.123 0.000 0.899 296 S CB 2.885 66.236 63.200 0.252 0.000 1.100 296 S HN 0.042 nan 8.310 nan 0.000 0.482 297 P HA 0.184 nan 4.420 nan 0.000 0.249 297 P C -1.269 175.945 177.300 -0.145 0.000 1.737 297 P CA 0.002 63.115 63.100 0.021 0.000 1.128 297 P CB -0.429 31.345 31.700 0.124 0.000 1.942 298 Q N 1.761 121.380 119.800 -0.302 0.000 2.315 298 Q HA 0.203 4.543 4.340 0.000 0.000 0.273 298 Q C 0.566 176.258 176.000 -0.513 0.000 1.053 298 Q CA -0.802 54.680 55.803 -0.535 0.000 0.817 298 Q CB 1.689 30.162 28.738 -0.443 0.000 1.326 298 Q HN 0.206 nan 8.270 nan 0.000 0.423 299 N N 1.283 119.608 118.700 -0.626 0.000 2.683 299 N HA -0.048 4.692 4.740 0.000 0.000 0.256 299 N C 0.066 175.427 175.510 -0.248 0.000 1.270 299 N CA 0.211 53.074 53.050 -0.311 0.000 0.954 299 N CB 0.164 38.534 38.487 -0.194 0.000 1.289 299 N HN 0.474 nan 8.380 nan 0.000 0.508 300 T N 0.244 114.564 114.554 -0.389 0.000 2.665 300 T HA -0.133 4.217 4.350 0.000 0.000 0.268 300 T C 0.450 174.921 174.700 -0.382 0.000 1.035 300 T CA 1.138 62.944 62.100 -0.490 0.000 1.151 300 T CB -0.431 67.967 68.868 -0.783 0.000 0.862 300 T HN 0.419 nan 8.240 nan 0.000 0.438 301 F N 3.588 123.501 119.950 -0.062 0.000 2.678 301 F HA 0.262 4.789 4.527 -0.000 0.000 0.358 301 F C 0.954 176.746 175.800 -0.014 0.000 1.256 301 F CA -1.157 56.831 58.000 -0.021 0.000 1.278 301 F CB -0.790 38.219 39.000 0.014 0.000 1.681 301 F HN -0.024 nan 8.300 nan 0.000 0.661 302 V N 0.466 120.438 119.914 0.096 0.000 3.237 302 V HA 0.099 4.219 4.120 0.000 0.000 0.305 302 V C -1.141 175.008 176.094 0.092 0.000 1.096 302 V CA -1.431 60.911 62.300 0.071 0.000 1.130 302 V CB 0.488 32.327 31.823 0.027 0.000 1.048 302 V HN 0.218 nan 8.190 nan 0.000 0.484 303 P HA -0.150 nan 4.420 nan 0.000 0.218 303 P C 1.513 178.852 177.300 0.065 0.000 1.146 303 P CA 2.242 65.386 63.100 0.073 0.000 0.820 303 P CB -0.198 31.537 31.700 0.059 0.000 0.778 304 G N 0.677 109.508 108.800 0.052 0.000 2.453 304 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 304 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 304 G C 1.742 176.679 174.900 0.063 0.000 1.201 304 G CA 0.544 45.671 45.100 0.046 0.000 0.784 304 G HN 0.222 nan 8.290 nan 0.000 0.545 305 L N 0.219 121.486 121.223 0.073 0.000 2.012 305 L HA -0.137 4.203 4.340 0.000 0.000 0.210 305 L C 3.094 180.031 176.870 0.110 0.000 1.073 305 L CA 0.776 55.675 54.840 0.098 0.000 0.748 305 L CB -0.516 41.624 42.059 0.135 0.000 0.891 305 L HN 0.106 nan 8.230 nan 0.000 0.431 306 V N -0.340 119.643 119.914 0.116 0.000 2.324 306 V HA -0.393 3.727 4.120 0.000 0.000 0.250 306 V C 2.452 178.574 176.094 0.048 0.000 1.060 306 V CA 2.220 64.558 62.300 0.062 0.000 1.042 306 V CB -0.636 31.228 31.823 0.069 0.000 0.650 306 V HN 0.571 nan 8.190 nan 0.000 0.450 307 Q N -0.689 119.151 119.800 0.066 0.000 2.079 307 Q HA -0.229 4.111 4.340 0.000 0.000 0.200 307 Q C 2.249 178.302 176.000 0.088 0.000 0.974 307 Q CA 1.858 57.701 55.803 0.067 0.000 0.840 307 Q CB -0.184 28.589 28.738 0.058 0.000 0.898 307 Q HN 0.557 nan 8.270 nan 0.000 0.430 308 L N 0.587 121.866 121.223 0.094 0.000 2.083 308 L HA -0.097 4.243 4.340 0.000 0.000 0.209 308 L C 2.137 179.066 176.870 0.099 0.000 1.083 308 L CA 2.080 56.991 54.840 0.118 0.000 0.752 308 L CB -0.736 41.377 42.059 0.091 0.000 0.899 308 L HN 0.269 nan 8.230 nan 0.000 0.433 309 A N -0.741 122.119 122.820 0.067 0.000 1.873 309 A HA -0.208 4.112 4.320 0.000 0.000 0.215 309 A C 2.137 179.743 177.584 0.036 0.000 1.186 309 A CA 1.664 53.726 52.037 0.042 0.000 0.616 309 A CB -0.620 18.386 19.000 0.010 0.000 0.823 309 A HN 0.578 nan 8.150 nan 0.000 0.442 310 E N -1.239 118.975 120.200 0.022 0.000 2.085 310 E HA -0.255 4.095 4.350 0.000 0.000 0.194 310 E C 1.959 178.630 176.600 0.119 0.000 0.994 310 E CA 1.371 57.788 56.400 0.028 0.000 0.801 310 E CB -0.399 29.323 29.700 0.038 0.000 0.743 310 E HN 0.886 nan 8.360 nan 0.000 0.453 311 H N 0.648 119.728 119.070 0.017 0.000 2.270 311 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 311 H C 1.805 177.143 175.328 0.017 0.000 1.077 311 H CA 0.983 57.044 56.048 0.022 0.000 1.294 311 H CB 0.368 30.145 29.762 0.025 0.000 1.371 311 H HN 0.010 nan 8.280 nan 0.000 0.491 312 E N 0.192 120.368 120.200 -0.041 0.000 2.338 312 E HA -0.048 4.302 4.350 0.000 0.000 0.197 312 E C 1.331 177.896 176.600 -0.057 0.000 1.007 312 E CA 0.798 57.121 56.400 -0.128 0.000 0.849 312 E CB -0.265 29.380 29.700 -0.091 0.000 0.774 312 E HN 0.781 nan 8.360 nan 0.000 0.506 313 G N 1.760 110.560 108.800 0.001 0.000 2.221 313 G HA2 -0.267 3.693 3.960 0.000 0.000 0.265 313 G HA3 -0.267 3.693 3.960 0.000 0.000 0.265 313 G C 0.246 175.123 174.900 -0.038 0.000 1.041 313 G CA 0.789 45.893 45.100 0.008 0.000 0.807 313 G HN 0.232 nan 8.290 nan 0.000 0.502 314 T N 0.095 114.648 114.554 -0.003 0.000 2.928 314 T HA 0.604 4.954 4.350 0.000 0.000 0.284 314 T C 0.352 175.168 174.700 0.193 0.000 1.008 314 T CA -0.300 61.793 62.100 -0.012 0.000 1.057 314 T CB 1.163 70.043 68.868 0.020 0.000 1.018 314 T HN 0.205 nan 8.240 nan 0.000 0.493 315 F N 2.496 122.462 119.950 0.026 0.000 2.394 315 F HA 0.573 5.100 4.527 0.000 0.000 0.340 315 F C 0.617 176.423 175.800 0.011 0.000 1.105 315 F CA -1.125 56.881 58.000 0.010 0.000 1.124 315 F CB 0.840 39.868 39.000 0.048 0.000 1.145 315 F HN 0.364 nan 8.300 nan 0.000 0.505 316 I N 1.164 121.783 120.570 0.082 0.000 2.656 316 I HA 0.911 5.081 4.170 0.000 0.000 0.292 316 I C -1.385 174.566 176.117 -0.277 0.000 1.144 316 I CA -0.728 60.508 61.300 -0.107 0.000 1.038 316 I CB 2.068 39.834 38.000 -0.390 0.000 1.244 316 I HN 0.564 nan 8.210 nan 0.000 0.420 317 A N 3.700 126.413 122.820 -0.179 0.000 2.566 317 A HA 1.026 5.346 4.320 0.000 0.000 0.297 317 A C -0.366 177.273 177.584 0.092 0.000 1.059 317 A CA 0.021 51.995 52.037 -0.104 0.000 0.691 317 A CB 1.522 20.507 19.000 -0.025 0.000 1.282 317 A HN 1.799 nan 8.150 nan 0.000 0.401 318 G N 0.034 108.921 108.800 0.146 0.000 2.351 318 G HA2 0.552 4.512 3.960 0.000 0.000 0.279 318 G HA3 0.552 4.512 3.960 0.000 0.000 0.279 318 G C -1.764 173.265 174.900 0.215 0.000 1.297 318 G CA 0.412 45.656 45.100 0.240 0.000 0.886 318 G HN 1.555 nan 8.290 nan 0.000 0.493 319 D N 0.208 120.709 120.400 0.168 0.000 3.625 319 D HA 0.271 4.911 4.640 0.000 0.000 0.217 319 D C -0.603 175.750 176.300 0.088 0.000 1.064 319 D CA 1.564 55.625 54.000 0.102 0.000 0.989 319 D CB -0.941 39.930 40.800 0.118 0.000 0.789 319 D HN 0.994 nan 8.370 nan 0.000 0.376 320 D N -0.048 120.399 120.400 0.079 0.000 9.024 320 D HA -0.172 4.468 4.640 0.000 0.000 0.279 320 D C 0.620 176.975 176.300 0.091 0.000 2.512 320 D CA 0.012 54.062 54.000 0.084 0.000 2.322 320 D CB -0.040 40.807 40.800 0.079 0.000 0.967 320 D HN 0.323 nan 8.370 nan 0.000 0.684 321 L N 3.325 124.603 121.223 0.092 0.000 2.549 321 L HA -0.023 4.317 4.340 0.000 0.000 0.230 321 L C 1.102 178.030 176.870 0.096 0.000 1.162 321 L CA 2.029 56.930 54.840 0.102 0.000 0.834 321 L CB -0.540 41.571 42.059 0.086 0.000 0.947 321 L HN 0.690 nan 8.230 nan 0.000 0.452 322 K N 0.458 120.897 120.400 0.065 0.000 6.236 322 K HA -0.169 4.151 4.320 0.000 0.000 0.607 322 K C 0.132 176.746 176.600 0.023 0.000 1.570 322 K CA 0.580 56.883 56.287 0.027 0.000 1.551 322 K CB -0.844 31.648 32.500 -0.014 0.000 1.812 322 K HN 0.480 nan 8.250 nan 0.000 0.338 323 S N 2.755 118.469 115.700 0.024 0.000 2.587 323 S HA 0.244 4.714 4.470 0.000 0.000 0.260 323 S C 1.630 176.234 174.600 0.006 0.000 1.353 323 S CA -0.044 58.170 58.200 0.024 0.000 0.995 323 S CB 1.375 64.590 63.200 0.024 0.000 0.912 323 S HN 0.741 nan 8.310 nan 0.000 0.568 324 G N 0.048 108.856 108.800 0.014 0.000 2.443 324 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 324 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 324 G C 1.364 176.264 174.900 0.001 0.000 1.131 324 G CA 0.883 45.987 45.100 0.006 0.000 0.775 324 G HN 0.712 nan 8.290 nan 0.000 0.547 325 Q N 0.572 120.376 119.800 0.008 0.000 2.123 325 Q HA -0.016 4.324 4.340 0.000 0.000 0.199 325 Q C 2.478 178.492 176.000 0.023 0.000 0.966 325 Q CA 1.884 57.698 55.803 0.017 0.000 0.845 325 Q CB -0.756 27.992 28.738 0.016 0.000 0.907 325 Q HN 0.339 nan 8.270 nan 0.000 0.439 326 T N 0.568 115.128 114.554 0.011 0.000 2.833 326 T HA -0.098 4.252 4.350 0.000 0.000 0.269 326 T C 1.426 176.120 174.700 -0.010 0.000 1.054 326 T CA 1.435 63.540 62.100 0.008 0.000 1.135 326 T CB -0.069 68.799 68.868 -0.000 0.000 0.869 326 T HN 0.347 nan 8.240 nan 0.000 0.466 327 K N 0.647 121.023 120.400 -0.040 0.000 2.097 327 K HA 0.100 4.420 4.320 0.000 0.000 0.205 327 K C 2.224 178.808 176.600 -0.027 0.000 1.050 327 K CA 0.804 57.044 56.287 -0.078 0.000 0.938 327 K CB -0.275 32.151 32.500 -0.124 0.000 0.718 327 K HN 0.257 nan 8.250 nan 0.000 0.442 328 L N 1.320 122.545 121.223 0.003 0.000 2.017 328 L HA -0.204 4.136 4.340 0.000 0.000 0.208 328 L C 2.377 179.287 176.870 0.066 0.000 1.073 328 L CA 1.346 56.202 54.840 0.026 0.000 0.745 328 L CB -0.213 41.869 42.059 0.038 0.000 0.894 328 L HN 0.144 nan 8.230 nan 0.000 0.432 329 K N -0.831 119.639 120.400 0.116 0.000 2.113 329 K HA -0.217 4.103 4.320 0.000 0.000 0.208 329 K C 2.319 179.013 176.600 0.156 0.000 1.047 329 K CA 1.715 58.133 56.287 0.219 0.000 0.928 329 K CB -0.292 32.313 32.500 0.175 0.000 0.716 329 K HN 0.218 nan 8.250 nan 0.000 0.446 330 S N 0.602 116.346 115.700 0.074 0.000 2.356 330 S HA -0.107 4.363 4.470 0.000 0.000 0.223 330 S C 2.081 176.711 174.600 0.049 0.000 1.032 330 S CA 1.202 59.430 58.200 0.047 0.000 1.005 330 S CB -0.118 63.082 63.200 -0.000 0.000 0.867 330 S HN 0.066 nan 8.310 nan 0.000 0.449 331 V N 2.742 122.676 119.914 0.034 0.000 2.237 331 V HA -0.128 3.992 4.120 0.000 0.000 0.245 331 V C 2.560 178.692 176.094 0.063 0.000 1.046 331 V CA 1.523 63.845 62.300 0.035 0.000 1.007 331 V CB -0.748 31.076 31.823 0.003 0.000 0.638 331 V HN 0.432 nan 8.190 nan 0.000 0.445 332 L N 0.169 121.403 121.223 0.018 0.000 1.978 332 L HA -0.272 4.068 4.340 0.000 0.000 0.218 332 L C 2.801 179.681 176.870 0.017 0.000 1.075 332 L CA 2.775 57.595 54.840 -0.034 0.000 0.767 332 L CB -1.757 40.109 42.059 -0.321 0.000 0.890 332 L HN 0.423 nan 8.230 nan 0.000 0.434 333 A N -1.100 121.750 122.820 0.050 0.000 1.873 333 A HA -0.279 4.041 4.320 0.000 0.000 0.218 333 A C 2.193 179.826 177.584 0.082 0.000 1.193 333 A CA 1.764 53.874 52.037 0.122 0.000 0.629 333 A CB -0.594 18.514 19.000 0.180 0.000 0.826 333 A HN 0.473 nan 8.150 nan 0.000 0.447 334 Q N -1.467 118.384 119.800 0.086 0.000 2.061 334 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 334 Q C 1.938 177.994 176.000 0.094 0.000 0.984 334 Q CA 1.853 57.703 55.803 0.078 0.000 0.846 334 Q CB -0.650 28.134 28.738 0.077 0.000 0.902 334 Q HN 0.730 nan 8.270 nan 0.000 0.421 335 F N 1.249 121.189 119.950 -0.016 0.000 2.043 335 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 335 F C 2.036 177.826 175.800 -0.017 0.000 1.121 335 F CA 1.511 59.497 58.000 -0.023 0.000 1.199 335 F CB -0.749 38.223 39.000 -0.047 0.000 0.968 335 F HN 0.021 nan 8.300 nan 0.000 0.478 336 L N -0.235 120.738 121.223 -0.416 0.000 1.990 336 L HA -0.272 4.068 4.340 0.000 0.000 0.213 336 L C 2.439 179.144 176.870 -0.275 0.000 1.072 336 L CA 1.629 56.181 54.840 -0.478 0.000 0.755 336 L CB -1.210 40.738 42.059 -0.184 0.000 0.889 336 L HN 0.074 nan 8.230 nan 0.000 0.432 337 V N -0.441 119.413 119.914 -0.099 0.000 2.490 337 V HA -0.265 3.855 4.120 0.000 0.000 0.250 337 V C 2.041 178.105 176.094 -0.049 0.000 1.061 337 V CA 1.732 64.020 62.300 -0.020 0.000 1.064 337 V CB -0.586 31.281 31.823 0.074 0.000 0.670 337 V HN 0.435 nan 8.190 nan 0.000 0.461 338 D N 0.583 120.944 120.400 -0.065 0.000 2.178 338 D HA -0.046 4.594 4.640 0.000 0.000 0.202 338 D C 2.032 178.284 176.300 -0.080 0.000 0.974 338 D CA 1.474 55.450 54.000 -0.040 0.000 0.841 338 D CB -0.060 40.748 40.800 0.012 0.000 0.953 338 D HN 0.480 nan 8.370 nan 0.000 0.478 339 A N -0.405 122.305 122.820 -0.184 0.000 2.238 339 A HA 0.403 4.723 4.320 0.000 0.000 0.208 339 A C 1.764 179.259 177.584 -0.149 0.000 1.177 339 A CA 1.093 53.015 52.037 -0.192 0.000 0.804 339 A CB -0.082 18.693 19.000 -0.375 0.000 0.823 339 A HN 0.244 nan 8.150 nan 0.000 0.482 340 G N -0.950 107.774 108.800 -0.127 0.000 2.175 340 G HA2 -0.210 3.750 3.960 0.000 0.000 0.244 340 G HA3 -0.210 3.750 3.960 0.000 0.000 0.244 340 G C 0.150 174.974 174.900 -0.126 0.000 0.982 340 G CA 0.153 45.190 45.100 -0.105 0.000 0.641 340 G HN 0.449 nan 8.290 nan 0.000 0.527 341 I N 1.117 121.593 120.570 -0.156 0.000 2.441 341 I HA 0.254 4.424 4.170 0.000 0.000 0.287 341 I C 0.755 176.807 176.117 -0.108 0.000 1.049 341 I CA -0.138 61.073 61.300 -0.148 0.000 1.381 341 I CB 1.353 39.241 38.000 -0.187 0.000 1.409 341 I HN 0.043 nan 8.210 nan 0.000 0.523 342 K N 9.402 129.730 120.400 -0.120 0.000 2.300 342 K HA 0.348 4.668 4.320 0.000 0.000 0.264 342 K C -2.405 174.196 176.600 0.002 0.000 1.083 342 K CA -1.743 54.472 56.287 -0.121 0.000 0.958 342 K CB 0.820 33.127 32.500 -0.321 0.000 1.318 342 K HN 0.246 nan 8.250 nan 0.000 0.448 343 P HA -0.021 nan 4.420 nan 0.000 0.271 343 P C 0.257 177.685 177.300 0.212 0.000 1.220 343 P CA -0.141 63.064 63.100 0.174 0.000 0.768 343 P CB 1.512 33.356 31.700 0.239 0.000 0.848 344 V N 1.641 121.654 119.914 0.165 0.000 3.523 344 V HA 0.100 4.220 4.120 0.000 0.000 0.255 344 V C 1.169 177.377 176.094 0.190 0.000 1.226 344 V CA 0.893 63.303 62.300 0.184 0.000 1.092 344 V CB 0.276 32.193 31.823 0.155 0.000 0.817 344 V HN 0.670 nan 8.190 nan 0.000 0.458 345 S N -0.149 115.673 115.700 0.205 0.000 2.536 345 S HA 0.758 5.228 4.470 0.000 0.000 0.271 345 S C -1.391 173.261 174.600 0.088 0.000 1.134 345 S CA -0.453 57.843 58.200 0.160 0.000 0.897 345 S CB 1.636 64.952 63.200 0.194 0.000 1.094 345 S HN 0.190 nan 8.310 nan 0.000 0.473 346 I N 3.260 123.824 120.570 -0.011 0.000 2.529 346 I HA 0.500 4.670 4.170 0.000 0.000 0.284 346 I C -0.310 175.686 176.117 -0.202 0.000 1.088 346 I CA -0.698 60.477 61.300 -0.208 0.000 1.062 346 I CB 1.690 39.526 38.000 -0.272 0.000 1.218 346 I HN 0.723 nan 8.210 nan 0.000 0.442 347 A N 4.027 126.712 122.820 -0.225 0.000 2.271 347 A HA 0.677 4.997 4.320 0.000 0.000 0.317 347 A C -0.246 177.102 177.584 -0.393 0.000 1.245 347 A CA -0.416 51.438 52.037 -0.304 0.000 0.857 347 A CB 1.214 20.176 19.000 -0.063 0.000 1.175 347 A HN 0.557 nan 8.150 nan 0.000 0.512 348 S N 2.731 118.108 115.700 -0.540 0.000 2.667 348 S HA 0.602 5.072 4.470 0.000 0.000 0.304 348 S C -1.482 172.866 174.600 -0.420 0.000 1.135 348 S CA -0.311 57.684 58.200 -0.343 0.000 1.125 348 S CB -0.228 62.855 63.200 -0.194 0.000 0.996 348 S HN 0.471 nan 8.310 nan 0.000 0.474 349 Y N 3.800 124.115 120.300 0.025 0.000 2.356 349 Y HA 0.458 5.008 4.550 0.000 0.000 0.334 349 Y C 0.649 176.596 175.900 0.079 0.000 0.958 349 Y CA -0.778 57.349 58.100 0.046 0.000 1.196 349 Y CB 1.001 39.489 38.460 0.046 0.000 1.137 349 Y HN 0.573 nan 8.280 nan 0.000 0.485 350 N N 3.145 121.963 118.700 0.196 0.000 2.362 350 N HA 0.479 5.220 4.740 0.000 0.000 0.299 350 N C -1.544 174.103 175.510 0.228 0.000 1.170 350 N CA -1.011 52.134 53.050 0.158 0.000 0.825 350 N CB 1.939 40.471 38.487 0.075 0.000 1.299 350 N HN 0.677 nan 8.380 nan 0.000 0.502 351 H N -0.099 119.006 119.070 0.059 0.000 3.151 351 H HA 0.380 4.936 4.556 0.000 0.000 0.333 351 H C -2.040 173.309 175.328 0.034 0.000 1.093 351 H CA -0.766 55.316 56.048 0.056 0.000 1.342 351 H CB 0.449 30.237 29.762 0.044 0.000 1.983 351 H HN 0.439 nan 8.280 nan 0.000 0.503 352 L N 1.200 122.420 121.223 -0.004 0.000 2.205 352 L HA 0.883 5.223 4.340 0.000 0.000 0.242 352 L C 0.807 177.692 176.870 0.025 0.000 1.115 352 L CA -0.466 54.339 54.840 -0.058 0.000 0.987 352 L CB 0.768 42.820 42.059 -0.011 0.000 1.568 352 L HN 0.860 nan 8.230 nan 0.000 0.450 353 G N -0.777 108.034 108.800 0.018 0.000 5.021 353 G HA2 0.260 4.220 3.960 0.000 0.000 0.254 353 G HA3 0.260 4.220 3.960 0.000 0.000 0.254 353 G C -0.519 174.475 174.900 0.156 0.000 0.932 353 G CA -0.093 45.006 45.100 -0.002 0.000 0.743 353 G HN 0.821 nan 8.290 nan 0.000 0.441 354 N N -1.148 117.664 118.700 0.187 0.000 2.491 354 N HA 0.170 4.910 4.740 0.000 0.000 0.279 354 N C 0.844 176.472 175.510 0.196 0.000 1.236 354 N CA -0.800 52.338 53.050 0.147 0.000 0.982 354 N CB 0.870 39.404 38.487 0.080 0.000 1.194 354 N HN -0.113 nan 8.380 nan 0.000 0.582 355 N N -0.470 118.312 118.700 0.137 0.000 2.519 355 N HA -0.190 4.550 4.740 0.000 0.000 0.186 355 N C 0.866 176.437 175.510 0.102 0.000 1.062 355 N CA 0.986 54.123 53.050 0.144 0.000 0.910 355 N CB -0.145 38.390 38.487 0.080 0.000 0.958 355 N HN 0.631 nan 8.380 nan 0.000 0.445 356 D N -1.341 119.113 120.400 0.091 0.000 2.149 356 D HA 0.019 4.659 4.640 0.000 0.000 0.206 356 D C 1.910 178.264 176.300 0.091 0.000 0.967 356 D CA 1.304 55.347 54.000 0.071 0.000 0.848 356 D CB -0.644 40.193 40.800 0.061 0.000 0.998 356 D HN 0.230 nan 8.370 nan 0.000 0.474 357 G N -1.416 107.469 108.800 0.141 0.000 2.679 357 G HA2 -0.189 3.771 3.960 0.000 0.000 0.212 357 G HA3 -0.189 3.771 3.960 0.000 0.000 0.212 357 G C 1.327 176.283 174.900 0.092 0.000 1.137 357 G CA 0.273 45.481 45.100 0.179 0.000 0.787 357 G HN 0.430 nan 8.290 nan 0.000 0.534 358 Y N 0.291 120.443 120.300 -0.246 0.000 2.301 358 Y HA -0.012 4.538 4.550 0.000 0.000 0.295 358 Y C 2.724 178.443 175.900 -0.301 0.000 1.119 358 Y CA 0.507 58.230 58.100 -0.628 0.000 1.162 358 Y CB 0.205 38.346 38.460 -0.531 0.000 1.046 358 Y HN 0.251 nan 8.280 nan 0.000 0.538 359 N N 1.178 119.824 118.700 -0.090 0.000 2.309 359 N HA -0.156 4.584 4.740 0.000 0.000 0.182 359 N C 1.619 177.100 175.510 -0.047 0.000 1.018 359 N CA 1.075 54.055 53.050 -0.118 0.000 0.876 359 N CB -0.167 38.292 38.487 -0.047 0.000 0.972 359 N HN 0.431 nan 8.380 nan 0.000 0.434 360 L N 0.200 121.425 121.223 0.003 0.000 1.973 360 L HA -0.031 4.309 4.340 0.000 0.000 0.208 360 L C 1.055 177.943 176.870 0.029 0.000 1.073 360 L CA 0.735 55.597 54.840 0.037 0.000 0.746 360 L CB -0.770 41.331 42.059 0.070 0.000 0.891 360 L HN -0.038 nan 8.230 nan 0.000 0.433 361 S N 1.206 116.930 115.700 0.039 0.000 3.900 361 S HA 0.437 4.907 4.470 0.000 0.000 0.248 361 S C 0.067 174.679 174.600 0.020 0.000 1.310 361 S CA -0.333 57.902 58.200 0.058 0.000 0.915 361 S CB -0.283 62.994 63.200 0.127 0.000 1.588 361 S HN 0.343 nan 8.310 nan 0.000 0.472 362 A N 4.299 127.117 122.820 -0.004 0.000 2.332 362 A HA 0.666 4.986 4.320 0.000 0.000 0.300 362 A C -2.436 175.144 177.584 -0.008 0.000 1.153 362 A CA -1.628 50.387 52.037 -0.036 0.000 0.764 362 A CB 0.627 19.577 19.000 -0.084 0.000 1.174 362 A HN 0.446 nan 8.150 nan 0.000 0.467 363 P HA 0.358 nan 4.420 nan 0.000 0.276 363 P C -0.303 176.997 177.300 -0.001 0.000 1.253 363 P CA 0.026 63.131 63.100 0.009 0.000 0.766 363 P CB 0.949 32.661 31.700 0.020 0.000 0.845 376 V N 3.320 123.222 119.914 -0.021 0.000 2.255 376 V HA -0.220 3.900 4.120 0.000 0.000 0.247 376 V C 2.105 178.168 176.094 -0.052 0.000 1.051 376 V CA 2.226 64.513 62.300 -0.022 0.000 1.018 376 V CB -0.785 31.036 31.823 -0.003 0.000 0.641 376 V HN 0.899 nan 8.190 nan 0.000 0.445 377 I N 0.374 120.892 120.570 -0.086 0.000 2.264 377 I HA -0.287 3.883 4.170 0.000 0.000 0.248 377 I C 2.205 178.203 176.117 -0.198 0.000 1.111 377 I CA 1.929 63.138 61.300 -0.152 0.000 1.382 377 I CB -0.645 37.200 38.000 -0.258 0.000 1.060 377 I HN 0.351 nan 8.210 nan 0.000 0.418 378 D N 0.915 121.210 120.400 -0.176 0.000 2.117 378 D HA -0.182 4.458 4.640 0.000 0.000 0.197 378 D C 1.835 178.065 176.300 -0.115 0.000 0.987 378 D CA 1.244 55.150 54.000 -0.156 0.000 0.829 378 D CB -0.199 40.536 40.800 -0.110 0.000 0.961 378 D HN 0.313 nan 8.370 nan 0.000 0.460 379 D N 0.016 120.372 120.400 -0.073 0.000 2.144 379 D HA -0.055 4.585 4.640 0.000 0.000 0.200 379 D C 2.243 178.518 176.300 -0.041 0.000 0.978 379 D CA 0.429 54.409 54.000 -0.033 0.000 0.833 379 D CB -0.086 40.712 40.800 -0.003 0.000 0.961 379 D HN 0.283 nan 8.370 nan 0.000 0.470 380 I N 0.999 121.530 120.570 -0.064 0.000 2.286 380 I HA -0.226 3.944 4.170 0.000 0.000 0.248 380 I C 2.419 178.477 176.117 -0.098 0.000 1.115 380 I CA 0.731 61.999 61.300 -0.053 0.000 1.392 380 I CB -0.142 37.830 38.000 -0.046 0.000 1.065 380 I HN -0.042 nan 8.210 nan 0.000 0.418 381 I N 0.890 121.314 120.570 -0.243 0.000 2.202 381 I HA -0.238 3.932 4.170 0.000 0.000 0.242 381 I C 2.701 178.754 176.117 -0.106 0.000 1.091 381 I CA 1.318 62.371 61.300 -0.411 0.000 1.368 381 I CB -0.477 37.187 38.000 -0.559 0.000 1.058 381 I HN 0.144 nan 8.210 nan 0.000 0.410 382 A N 0.518 123.300 122.820 -0.064 0.000 2.172 382 A HA -0.146 4.174 4.320 0.000 0.000 0.216 382 A C 2.351 179.959 177.584 0.041 0.000 1.154 382 A CA 1.721 53.762 52.037 0.006 0.000 0.701 382 A CB -0.579 18.428 19.000 0.011 0.000 0.789 382 A HN 0.553 nan 8.150 nan 0.000 0.465 383 S N -1.074 114.648 115.700 0.037 0.000 2.503 383 S HA 0.068 4.538 4.470 0.000 0.000 0.217 383 S C 0.650 175.293 174.600 0.071 0.000 0.999 383 S CA 0.229 58.459 58.200 0.050 0.000 0.914 383 S CB -0.094 63.127 63.200 0.036 0.000 0.782 383 S HN 0.400 nan 8.310 nan 0.000 0.520 384 N N 2.152 120.919 118.700 0.112 0.000 2.776 384 N HA 0.195 4.935 4.740 0.000 0.000 0.245 384 N C -0.766 174.845 175.510 0.168 0.000 1.121 384 N CA -0.009 53.123 53.050 0.136 0.000 0.852 384 N CB 1.419 40.011 38.487 0.173 0.000 1.142 384 N HN 0.446 nan 8.380 nan 0.000 0.514 385 D N 1.578 122.048 120.400 0.116 0.000 2.371 385 D HA -0.024 4.616 4.640 0.000 0.000 0.221 385 D C 1.525 177.865 176.300 0.067 0.000 0.986 385 D CA 0.472 54.535 54.000 0.107 0.000 0.899 385 D CB 0.311 41.167 40.800 0.094 0.000 0.902 385 D HN 0.469 nan 8.370 nan 0.000 0.530 386 I N -0.039 120.555 120.570 0.041 0.000 2.235 386 I HA -0.154 4.016 4.170 0.000 0.000 0.241 386 I C 2.227 178.305 176.117 -0.065 0.000 1.085 386 I CA 0.778 62.075 61.300 -0.006 0.000 1.378 386 I CB -0.157 37.834 38.000 -0.015 0.000 1.076 386 I HN 0.066 nan 8.210 nan 0.000 0.415 387 L N -0.748 120.400 121.223 -0.125 0.000 2.131 387 L HA -0.059 4.281 4.340 0.000 0.000 0.206 387 L C 0.154 176.727 176.870 -0.494 0.000 1.087 387 L CA 0.752 55.378 54.840 -0.356 0.000 0.767 387 L CB -0.238 41.507 42.059 -0.525 0.000 0.917 387 L HN 0.160 nan 8.230 nan 0.000 0.441 388 Y N 1.853 122.152 120.300 -0.001 0.000 2.402 388 Y HA 0.364 4.914 4.550 -0.000 0.000 0.332 388 Y C 0.064 175.968 175.900 0.008 0.000 0.960 388 Y CA -1.006 57.096 58.100 0.003 0.000 1.228 388 Y CB 0.523 38.984 38.460 0.002 0.000 1.120 388 Y HN 0.131 nan 8.280 nan 0.000 0.491 389 N N 0.491 119.257 118.700 0.110 0.000 2.823 389 N HA 0.121 4.861 4.740 0.000 0.000 0.251 389 N C -0.597 174.947 175.510 0.056 0.000 1.392 389 N CA -0.681 52.414 53.050 0.074 0.000 0.864 389 N CB 1.443 39.957 38.487 0.044 0.000 1.481 389 N HN 0.333 nan 8.380 nan 0.000 0.508 390 D N 0.296 120.723 120.400 0.045 0.000 2.221 390 D HA -0.160 4.480 4.640 0.000 0.000 0.204 390 D C 1.263 177.579 176.300 0.026 0.000 0.982 390 D CA 1.247 55.268 54.000 0.035 0.000 0.857 390 D CB 0.355 41.172 40.800 0.027 0.000 0.934 390 D HN 0.478 nan 8.370 nan 0.000 0.475 391 K N 0.437 120.849 120.400 0.019 0.000 2.167 391 K HA 0.005 4.325 4.320 0.000 0.000 0.203 391 K C 1.754 178.357 176.600 0.006 0.000 1.052 391 K CA 0.384 56.677 56.287 0.011 0.000 0.956 391 K CB 0.258 32.761 32.500 0.005 0.000 0.735 391 K HN 0.205 nan 8.250 nan 0.000 0.451 392 L N -0.711 120.514 121.223 0.002 0.000 2.858 392 L HA 0.273 4.613 4.340 0.000 0.000 0.251 392 L C 0.277 177.148 176.870 0.002 0.000 1.149 392 L CA -0.027 54.806 54.840 -0.012 0.000 0.955 392 L CB 1.102 43.134 42.059 -0.046 0.000 1.289 392 L HN 0.201 nan 8.230 nan 0.000 0.542 393 G N 1.188 110.007 108.800 0.032 0.000 2.742 393 G HA2 -0.135 3.825 3.960 0.000 0.000 0.686 393 G HA3 -0.135 3.825 3.960 0.000 0.000 0.686 393 G C -0.463 174.515 174.900 0.131 0.000 1.220 393 G CA -0.498 44.644 45.100 0.069 0.000 0.783 393 G HN 0.043 nan 8.290 nan 0.000 0.646 394 K N -0.050 120.442 120.400 0.152 0.000 2.501 394 K HA 0.205 4.525 4.320 0.000 0.000 0.204 394 K C 0.463 177.144 176.600 0.135 0.000 1.067 394 K CA -0.297 56.105 56.287 0.193 0.000 1.060 394 K CB 0.035 32.600 32.500 0.108 0.000 0.873 394 K HN 0.413 nan 8.250 nan 0.000 0.540 395 K N 0.511 120.997 120.400 0.143 0.000 2.258 395 K HA 0.491 4.811 4.320 0.000 0.000 0.236 395 K C -0.623 176.038 176.600 0.100 0.000 1.008 395 K CA -0.992 55.339 56.287 0.073 0.000 0.869 395 K CB 2.196 34.737 32.500 0.068 0.000 1.171 395 K HN -0.182 nan 8.250 nan 0.000 0.447 396 V N 1.612 121.543 119.914 0.029 0.000 2.624 396 V HA 0.078 4.198 4.120 0.000 0.000 0.294 396 V C -1.301 174.835 176.094 0.070 0.000 1.077 396 V CA -1.052 61.276 62.300 0.046 0.000 0.905 396 V CB 1.822 33.606 31.823 -0.066 0.000 1.025 396 V HN 0.612 nan 8.190 nan 0.000 0.440 397 D N 5.051 125.523 120.400 0.120 0.000 2.425 397 D HA 0.415 5.055 4.640 0.000 0.000 0.247 397 D C -0.049 176.363 176.300 0.187 0.000 1.147 397 D CA 0.785 54.876 54.000 0.151 0.000 0.879 397 D CB 0.316 41.175 40.800 0.098 0.000 1.179 397 D HN 0.787 nan 8.370 nan 0.000 0.456 398 H N -0.308 118.733 119.070 -0.048 0.000 3.086 398 H HA 0.501 5.057 4.556 -0.000 0.000 0.353 398 H C -1.189 174.078 175.328 -0.102 0.000 1.134 398 H CA -1.238 54.755 56.048 -0.091 0.000 1.248 398 H CB 0.073 29.783 29.762 -0.087 0.000 1.878 398 H HN 0.449 nan 8.280 nan 0.000 0.527 399 C N 2.703 121.837 119.300 -0.277 0.000 2.698 399 C HA 0.826 5.286 4.460 0.000 0.000 0.309 399 C C -0.463 174.335 174.990 -0.319 0.000 1.186 399 C CA -0.893 57.928 59.018 -0.328 0.000 1.474 399 C CB 0.110 27.705 27.740 -0.241 0.000 2.020 399 C HN 0.758 nan 8.230 nan 0.000 0.474 400 I N 3.077 123.502 120.570 -0.242 0.000 2.362 400 I HA 0.591 4.761 4.170 0.000 0.000 0.289 400 I C -0.482 175.568 176.117 -0.112 0.000 0.994 400 I CA -0.491 60.705 61.300 -0.174 0.000 1.158 400 I CB 1.708 39.649 38.000 -0.099 0.000 1.315 400 I HN 0.559 nan 8.210 nan 0.000 0.451 401 V N 7.569 127.431 119.914 -0.087 0.000 2.604 401 V HA 0.517 4.637 4.120 0.000 0.000 0.305 401 V C -0.150 176.001 176.094 0.094 0.000 1.043 401 V CA -0.473 61.856 62.300 0.048 0.000 0.888 401 V CB 2.450 34.400 31.823 0.211 0.000 0.995 401 V HN 0.507 nan 8.190 nan 0.000 0.429 402 I N 4.566 125.200 120.570 0.106 0.000 2.583 402 I HA 0.364 4.534 4.170 0.000 0.000 0.276 402 I C -0.258 175.952 176.117 0.156 0.000 1.089 402 I CA -0.528 60.849 61.300 0.130 0.000 1.103 402 I CB 1.277 39.338 38.000 0.102 0.000 1.209 402 I HN 0.412 nan 8.210 nan 0.000 0.484 403 K N 3.579 124.091 120.400 0.188 0.000 2.098 403 K HA 0.400 4.720 4.320 0.000 0.000 0.261 403 K C -0.831 175.920 176.600 0.252 0.000 0.987 403 K CA -0.449 55.946 56.287 0.181 0.000 0.916 403 K CB 2.220 34.778 32.500 0.098 0.000 1.039 403 K HN 0.303 nan 8.250 nan 0.000 0.455 407 P HA 0.060 nan 4.420 nan 0.000 0.286 407 P C 0.094 177.353 177.300 -0.070 0.000 1.577 407 P CA 0.568 63.606 63.100 -0.104 0.000 0.805 407 P CB 0.437 32.084 31.700 -0.088 0.000 1.706 408 V N -2.130 117.737 119.914 -0.078 0.000 3.426 408 V HA 0.305 4.425 4.120 0.000 0.000 0.271 408 V C 1.296 177.361 176.094 -0.048 0.000 1.530 408 V CA 0.556 62.827 62.300 -0.048 0.000 1.021 408 V CB 0.063 31.859 31.823 -0.045 0.000 0.824 408 V HN 0.489 nan 8.190 nan 0.000 0.432 409 G N 1.457 110.228 108.800 -0.050 0.000 2.645 409 G HA2 -0.366 3.594 3.960 0.000 0.000 0.239 409 G HA3 -0.366 3.594 3.960 0.000 0.000 0.239 409 G C 0.297 175.186 174.900 -0.018 0.000 1.331 409 G CA 0.500 45.584 45.100 -0.027 0.000 0.890 409 G HN 0.396 nan 8.290 nan 0.000 0.572 410 D N 0.017 120.412 120.400 -0.009 0.000 2.350 410 D HA 0.104 4.744 4.640 0.000 0.000 0.216 410 D C 1.582 177.871 176.300 -0.019 0.000 0.968 410 D CA 1.419 55.416 54.000 -0.004 0.000 0.894 410 D CB -0.076 40.722 40.800 -0.003 0.000 0.909 410 D HN 0.581 nan 8.370 nan 0.000 0.520 411 S N 0.415 116.097 115.700 -0.030 0.000 2.466 411 S HA 0.015 4.485 4.470 0.000 0.000 0.286 411 S C -0.088 174.461 174.600 -0.085 0.000 1.221 411 S CA -0.431 57.742 58.200 -0.044 0.000 1.091 411 S CB 0.056 63.234 63.200 -0.036 0.000 0.956 411 S HN 0.185 nan 8.310 nan 0.000 0.501 412 K N 4.118 124.466 120.400 -0.087 0.000 2.143 412 K HA 0.469 4.789 4.320 0.000 0.000 0.272 412 K C -1.202 175.285 176.600 -0.188 0.000 1.001 412 K CA -0.647 55.559 56.287 -0.135 0.000 0.915 412 K CB 0.884 33.338 32.500 -0.075 0.000 1.047 412 K HN 0.414 nan 8.250 nan 0.000 0.458 413 V N 3.878 123.605 119.914 -0.312 0.000 2.326 413 V HA 0.469 4.589 4.120 0.000 0.000 0.281 413 V C -0.126 175.855 176.094 -0.188 0.000 1.015 413 V CA -0.687 61.430 62.300 -0.305 0.000 0.823 413 V CB 0.717 32.312 31.823 -0.381 0.000 1.009 413 V HN 0.956 nan 8.190 nan 0.000 0.436 417 E N 1.173 121.392 120.200 0.033 0.000 2.220 417 E HA 0.412 4.762 4.350 0.000 0.000 0.256 417 E C -1.767 174.844 176.600 0.018 0.000 0.881 417 E CA -0.613 55.855 56.400 0.114 0.000 0.766 417 E CB 0.583 30.363 29.700 0.134 0.000 1.187 417 E HN 0.319 nan 8.360 nan 0.000 0.419 418 Y N 3.354 123.743 120.300 0.149 0.000 2.335 418 Y HA 0.351 4.901 4.550 -0.000 0.000 0.339 418 Y C -0.855 175.182 175.900 0.228 0.000 0.987 418 Y CA -0.768 57.429 58.100 0.161 0.000 1.140 418 Y CB 1.052 39.590 38.460 0.130 0.000 1.173 418 Y HN 0.479 nan 8.280 nan 0.000 0.486 419 Y N 2.858 123.268 120.300 0.184 0.000 2.712 419 Y HA 0.494 5.044 4.550 -0.000 0.000 0.328 419 Y C -0.418 175.578 175.900 0.160 0.000 0.995 419 Y CA -0.984 57.200 58.100 0.140 0.000 1.283 419 Y CB 0.445 38.948 38.460 0.073 0.000 1.092 419 Y HN 0.527 nan 8.280 nan 0.000 0.519 420 S N 3.406 119.074 115.700 -0.053 0.000 2.654 420 S HA 0.325 4.795 4.470 0.000 0.000 0.283 420 S C -0.542 173.953 174.600 -0.175 0.000 1.180 420 S CA -0.903 57.256 58.200 -0.068 0.000 1.021 420 S CB 1.204 64.400 63.200 -0.008 0.000 1.018 420 S HN 0.632 nan 8.310 nan 0.000 0.532 421 E N 1.476 121.603 120.200 -0.121 0.000 2.146 421 E HA 0.396 4.746 4.350 0.000 0.000 0.282 421 E C -0.773 175.706 176.600 -0.202 0.000 0.989 421 E CA -0.221 56.078 56.400 -0.167 0.000 0.799 421 E CB 0.598 30.225 29.700 -0.122 0.000 1.088 421 E HN 0.420 nan 8.360 nan 0.000 0.397 425 G N -0.265 108.446 108.800 -0.148 0.000 2.196 425 G HA2 -0.271 3.689 3.960 0.000 0.000 0.268 425 G HA3 -0.271 3.689 3.960 0.000 0.000 0.268 425 G C 0.681 175.384 174.900 -0.328 0.000 0.975 425 G CA 0.336 45.325 45.100 -0.186 0.000 0.648 425 G HN 0.750 nan 8.290 nan 0.000 0.538 426 G N -1.076 107.546 108.800 -0.296 0.000 2.667 426 G HA2 0.502 4.462 3.960 0.000 0.000 0.250 426 G HA3 0.502 4.462 3.960 0.000 0.000 0.250 426 G C -0.343 174.232 174.900 -0.542 0.000 1.212 426 G CA -0.004 44.935 45.100 -0.268 0.000 0.874 426 G HN 0.513 nan 8.290 nan 0.000 0.561 427 H N -0.635 118.390 119.070 -0.074 0.000 2.996 427 H HA 0.351 4.907 4.556 -0.000 0.000 0.368 427 H C -0.998 174.269 175.328 -0.102 0.000 1.185 427 H CA -0.740 55.207 56.048 -0.169 0.000 1.160 427 H CB 2.432 32.090 29.762 -0.175 0.000 1.820 427 H HN 0.536 nan 8.280 nan 0.000 0.547 428 N N 1.168 119.859 118.700 -0.015 0.000 2.352 428 N HA 0.249 4.989 4.740 0.000 0.000 0.291 428 N C -1.229 174.350 175.510 0.115 0.000 1.040 428 N CA -0.625 52.453 53.050 0.047 0.000 0.864 428 N CB 1.967 40.463 38.487 0.015 0.000 1.440 428 N HN 0.557 nan 8.380 nan 0.000 0.483 429 R N 4.474 125.093 120.500 0.198 0.000 2.409 429 R HA 0.542 4.882 4.340 0.000 0.000 0.313 429 R C -1.149 175.276 176.300 0.209 0.000 0.953 429 R CA -0.505 55.762 56.100 0.277 0.000 0.849 429 R CB 0.536 31.025 30.300 0.315 0.000 1.171 429 R HN 0.584 nan 8.270 nan 0.000 0.458 430 I N 3.168 123.882 120.570 0.240 0.000 2.389 430 I HA 0.266 4.436 4.170 0.000 0.000 0.288 430 I C -0.448 175.824 176.117 0.258 0.000 0.999 430 I CA -0.684 60.739 61.300 0.205 0.000 1.129 430 I CB 2.217 40.305 38.000 0.146 0.000 1.288 430 I HN 0.544 nan 8.210 nan 0.000 0.444 431 S N 6.961 122.778 115.700 0.195 0.000 2.433 431 S HA 0.574 5.044 4.470 0.000 0.000 0.310 431 S C -0.299 174.416 174.600 0.192 0.000 1.097 431 S CA -0.549 57.770 58.200 0.198 0.000 1.103 431 S CB 1.061 64.349 63.200 0.147 0.000 0.992 431 S HN 0.277 nan 8.310 nan 0.000 0.469 432 I N 3.405 124.112 120.570 0.228 0.000 2.378 432 I HA 0.300 4.470 4.170 0.000 0.000 0.291 432 I C -0.250 175.997 176.117 0.218 0.000 0.992 432 I CA -0.491 60.929 61.300 0.200 0.000 1.154 432 I CB 1.036 39.159 38.000 0.205 0.000 1.315 432 I HN 0.684 nan 8.210 nan 0.000 0.448 433 H N 5.984 125.106 119.070 0.087 0.000 2.685 433 H HA 0.403 4.959 4.556 0.000 0.000 0.307 433 H C -0.687 174.677 175.328 0.059 0.000 1.017 433 H CA -0.184 55.909 56.048 0.075 0.000 1.237 433 H CB 0.735 30.535 29.762 0.064 0.000 1.409 433 H HN 0.458 nan 8.280 nan 0.000 0.488 434 N N 4.288 122.872 118.700 -0.192 0.000 2.392 434 N HA 0.352 5.092 4.740 0.000 0.000 0.283 434 N C -1.552 173.831 175.510 -0.211 0.000 1.003 434 N CA -0.350 52.623 53.050 -0.127 0.000 0.892 434 N CB 1.560 40.016 38.487 -0.051 0.000 1.193 434 N HN 0.305 nan 8.380 nan 0.000 0.487 435 V N 3.063 122.905 119.914 -0.119 0.000 2.623 435 V HA 0.597 4.717 4.120 0.000 0.000 0.304 435 V C -0.274 175.799 176.094 -0.036 0.000 1.054 435 V CA -0.660 61.582 62.300 -0.096 0.000 0.882 435 V CB 1.159 32.950 31.823 -0.054 0.000 1.002 435 V HN 0.964 nan 8.190 nan 0.000 0.424 436 C N 2.147 121.425 119.300 -0.036 0.000 3.292 436 C HA 0.549 5.009 4.460 0.000 0.000 0.338 436 C C -0.666 174.317 174.990 -0.011 0.000 1.323 436 C CA -0.941 58.072 59.018 -0.009 0.000 1.232 436 C CB 1.814 29.556 27.740 0.004 0.000 1.517 436 C HN 0.882 nan 8.230 nan 0.000 0.470 437 E N 1.018 121.220 120.200 0.003 0.000 1.881 437 E HA 0.064 4.414 4.350 0.000 0.000 0.264 437 E C 0.248 176.851 176.600 0.005 0.000 1.243 437 E CA 0.213 56.614 56.400 0.001 0.000 0.965 437 E CB 0.457 30.161 29.700 0.007 0.000 1.055 437 E HN 0.699 nan 8.360 nan 0.000 0.412 438 D N 2.695 123.094 120.400 -0.002 0.000 2.248 438 D HA -0.300 4.340 4.640 0.000 0.000 0.189 438 D C 1.754 178.063 176.300 0.016 0.000 1.011 438 D CA 2.194 56.198 54.000 0.006 0.000 0.868 438 D CB -0.029 40.772 40.800 0.003 0.000 0.931 438 D HN 0.387 nan 8.370 nan 0.000 0.449 439 S N -1.452 114.254 115.700 0.011 0.000 2.419 439 S HA -0.033 4.437 4.470 0.000 0.000 0.233 439 S C 1.921 176.532 174.600 0.019 0.000 1.016 439 S CA 0.525 58.731 58.200 0.011 0.000 0.974 439 S CB -0.290 62.910 63.200 -0.001 0.000 0.786 439 S HN 0.352 nan 8.310 nan 0.000 0.492 440 L N 0.719 121.955 121.223 0.021 0.000 2.622 440 L HA 0.120 4.460 4.340 0.000 0.000 0.233 440 L C 1.793 178.696 176.870 0.056 0.000 1.156 440 L CA 0.343 55.203 54.840 0.033 0.000 0.866 440 L CB -0.181 41.896 42.059 0.030 0.000 0.980 440 L HN 0.373 nan 8.230 nan 0.000 0.448 441 L N -1.462 119.792 121.223 0.053 0.000 2.362 441 L HA 0.123 4.463 4.340 0.000 0.000 0.204 441 L C 2.681 179.596 176.870 0.076 0.000 1.060 441 L CA 0.634 55.515 54.840 0.068 0.000 0.827 441 L CB -0.213 41.878 42.059 0.054 0.000 1.027 441 L HN 0.147 nan 8.230 nan 0.000 0.474 442 A N -0.023 122.832 122.820 0.059 0.000 1.877 442 A HA -0.187 4.133 4.320 0.000 0.000 0.216 442 A C 2.249 179.867 177.584 0.056 0.000 1.186 442 A CA 2.359 54.432 52.037 0.059 0.000 0.620 442 A CB -0.930 18.095 19.000 0.042 0.000 0.822 442 A HN 0.357 nan 8.150 nan 0.000 0.443 443 T N 0.745 115.329 114.554 0.049 0.000 2.607 443 T HA -0.119 4.231 4.350 0.000 0.000 0.267 443 T C -0.073 174.670 174.700 0.071 0.000 1.049 443 T CA 2.123 64.254 62.100 0.051 0.000 1.162 443 T CB -1.379 67.518 68.868 0.049 0.000 0.863 443 T HN 0.396 nan 8.240 nan 0.000 0.424 444 P HA -0.023 nan 4.420 nan 0.000 0.216 444 P C 1.704 179.048 177.300 0.073 0.000 1.150 444 P CA 0.741 63.911 63.100 0.116 0.000 0.837 444 P CB -0.172 31.615 31.700 0.146 0.000 0.786 445 L N -1.159 120.116 121.223 0.086 0.000 2.056 445 L HA -0.114 4.226 4.340 0.000 0.000 0.207 445 L C 2.152 178.970 176.870 -0.087 0.000 1.078 445 L CA 1.484 56.373 54.840 0.081 0.000 0.749 445 L CB -0.521 41.651 42.059 0.188 0.000 0.901 445 L HN -0.130 nan 8.230 nan 0.000 0.433 446 I N -0.067 120.484 120.570 -0.031 0.000 2.286 446 I HA -0.334 3.836 4.170 0.000 0.000 0.248 446 I C 2.358 178.423 176.117 -0.087 0.000 1.115 446 I CA 1.362 62.626 61.300 -0.061 0.000 1.392 446 I CB -0.222 37.769 38.000 -0.015 0.000 1.065 446 I HN 0.296 nan 8.210 nan 0.000 0.418 447 I N 0.544 121.093 120.570 -0.036 0.000 2.286 447 I HA -0.298 3.872 4.170 0.000 0.000 0.248 447 I C 2.093 178.141 176.117 -0.115 0.000 1.115 447 I CA 1.274 62.586 61.300 0.018 0.000 1.392 447 I CB -0.516 37.479 38.000 -0.008 0.000 1.065 447 I HN 0.262 nan 8.210 nan 0.000 0.418 448 D N 1.079 121.295 120.400 -0.305 0.000 2.084 448 D HA -0.161 4.479 4.640 0.000 0.000 0.194 448 D C 2.379 178.221 176.300 -0.763 0.000 0.990 448 D CA 1.288 54.934 54.000 -0.589 0.000 0.826 448 D CB -0.365 39.882 40.800 -0.921 0.000 0.971 448 D HN 0.293 nan 8.370 nan 0.000 0.453 449 L N 0.600 121.345 121.223 -0.796 0.000 2.013 449 L HA -0.208 4.132 4.340 0.000 0.000 0.212 449 L C 2.695 179.427 176.870 -0.230 0.000 1.073 449 L CA 0.895 55.432 54.840 -0.505 0.000 0.753 449 L CB -0.461 41.438 42.059 -0.268 0.000 0.890 449 L HN 0.054 nan 8.230 nan 0.000 0.432 450 L N -0.994 120.138 121.223 -0.152 0.000 2.017 450 L HA -0.135 4.205 4.340 0.000 0.000 0.208 450 L C 1.451 178.343 176.870 0.036 0.000 1.073 450 L CA 0.544 55.339 54.840 -0.076 0.000 0.745 450 L CB -0.643 41.337 42.059 -0.132 0.000 0.894 450 L HN 0.016 nan 8.230 nan 0.000 0.432 454 E N 2.036 122.363 120.200 0.211 0.000 2.110 454 E HA -0.022 4.328 4.350 0.000 0.000 0.193 454 E C 1.718 178.472 176.600 0.257 0.000 0.988 454 E CA 1.536 58.061 56.400 0.209 0.000 0.804 454 E CB -0.599 29.200 29.700 0.166 0.000 0.745 454 E HN 0.509 nan 8.360 nan 0.000 0.458 455 F N 0.897 120.943 119.950 0.160 0.000 2.102 455 F HA -0.158 4.369 4.527 0.000 0.000 0.298 455 F C 1.983 177.939 175.800 0.261 0.000 1.105 455 F CA 1.661 59.762 58.000 0.169 0.000 1.239 455 F CB -0.603 38.481 39.000 0.141 0.000 0.991 455 F HN 0.172 nan 8.300 nan 0.000 0.474 456 C N 0.057 119.595 119.300 0.396 0.000 2.419 456 C HA -0.154 4.306 4.460 0.000 0.000 0.281 456 C C 2.614 177.942 174.990 0.562 0.000 1.336 456 C CA 1.652 60.940 59.018 0.450 0.000 1.770 456 C CB -1.663 26.242 27.740 0.275 0.000 1.929 456 C HN 0.556 nan 8.230 nan 0.000 0.509 457 T N 0.239 115.082 114.554 0.481 0.000 2.915 457 T HA -0.101 4.249 4.350 0.000 0.000 0.269 457 T C 1.564 176.364 174.700 0.167 0.000 1.071 457 T CA 1.003 63.337 62.100 0.391 0.000 1.132 457 T CB -0.210 68.764 68.868 0.176 0.000 0.878 457 T HN 0.601 nan 8.240 nan 0.000 0.479 458 R N 0.893 121.431 120.500 0.064 0.000 2.568 458 R HA 0.306 4.646 4.340 0.000 0.000 0.288 458 R C -0.768 175.485 176.300 -0.078 0.000 1.077 458 R CA -0.054 56.019 56.100 -0.046 0.000 1.102 458 R CB 0.398 30.628 30.300 -0.116 0.000 1.278 458 R HN 0.169 nan 8.270 nan 0.000 0.560 459 V N 0.915 120.860 119.914 0.051 0.000 2.588 459 V HA 0.327 4.447 4.120 0.000 0.000 0.304 459 V C -0.244 175.877 176.094 0.045 0.000 1.042 459 V CA -0.775 61.565 62.300 0.067 0.000 0.877 459 V CB 1.974 33.944 31.823 0.245 0.000 0.996 459 V HN 0.256 nan 8.190 nan 0.000 0.425 460 S N 3.972 119.714 115.700 0.069 0.000 2.548 460 S HA 0.902 5.372 4.470 0.000 0.000 0.286 460 S C -1.162 173.556 174.600 0.197 0.000 1.098 460 S CA -0.785 57.449 58.200 0.056 0.000 0.930 460 S CB 2.039 65.292 63.200 0.089 0.000 1.070 460 S HN 0.919 nan 8.310 nan 0.000 0.480 461 Y N -0.636 119.662 120.300 -0.003 0.000 2.512 461 Y HA 0.809 5.359 4.550 0.000 0.000 0.348 461 Y C -0.842 174.888 175.900 -0.283 0.000 0.990 461 Y CA -1.160 56.807 58.100 -0.221 0.000 1.033 461 Y CB 1.577 39.809 38.460 -0.380 0.000 1.259 461 Y HN 0.881 nan 8.280 nan 0.000 0.461 462 K N 3.180 123.397 120.400 -0.305 0.000 2.507 462 K HA 0.309 4.629 4.320 0.000 0.000 0.252 462 K C -1.334 175.153 176.600 -0.188 0.000 0.943 462 K CA -0.858 55.181 56.287 -0.412 0.000 0.808 462 K CB 1.417 33.331 32.500 -0.977 0.000 1.142 462 K HN 0.864 nan 8.250 nan 0.000 0.426 463 K N 4.710 125.055 120.400 -0.092 0.000 2.110 463 K HA 0.103 4.423 4.320 0.000 0.000 0.260 463 K C -0.759 175.690 176.600 -0.251 0.000 1.126 463 K CA -0.385 55.764 56.287 -0.230 0.000 1.005 463 K CB 0.329 32.748 32.500 -0.134 0.000 1.336 463 K HN 0.342 nan 8.250 nan 0.000 0.369 464 V N 4.130 123.884 119.914 -0.268 0.000 2.521 464 V HA -0.007 4.113 4.120 0.000 0.000 0.286 464 V C 0.295 176.289 176.094 -0.166 0.000 1.034 464 V CA -0.081 62.106 62.300 -0.189 0.000 1.045 464 V CB 1.008 32.744 31.823 -0.144 0.000 0.974 464 V HN 0.735 nan 8.190 nan 0.000 0.480 465 D N 5.950 126.278 120.400 -0.120 0.000 2.388 465 D HA 0.415 5.055 4.640 0.000 0.000 0.254 465 D C -1.158 175.102 176.300 -0.067 0.000 1.111 465 D CA -1.174 52.770 54.000 -0.093 0.000 0.993 465 D CB 1.416 42.173 40.800 -0.073 0.000 1.118 465 D HN 0.321 nan 8.370 nan 0.000 0.502 466 P HA 0.010 nan 4.420 nan 0.000 0.234 466 P C 0.772 178.055 177.300 -0.028 0.000 1.175 466 P CA 0.387 63.464 63.100 -0.037 0.000 0.801 466 P CB 0.538 32.219 31.700 -0.033 0.000 0.891 467 V N -0.112 119.786 119.914 -0.028 0.000 2.951 467 V HA 0.055 4.175 4.120 0.000 0.000 0.255 467 V C 1.320 177.403 176.094 -0.019 0.000 1.088 467 V CA 0.911 63.199 62.300 -0.021 0.000 1.109 467 V CB -0.803 31.009 31.823 -0.019 0.000 0.724 467 V HN 0.101 nan 8.190 nan 0.000 0.471 468 K N 1.124 121.509 120.400 -0.025 0.000 2.463 468 K HA 0.394 4.714 4.320 0.000 0.000 0.255 468 K C -0.584 176.001 176.600 -0.024 0.000 0.942 468 K CA -0.570 55.703 56.287 -0.022 0.000 0.814 468 K CB 1.821 34.308 32.500 -0.023 0.000 1.122 468 K HN 0.081 nan 8.250 nan 0.000 0.425 469 E N 2.541 122.732 120.200 -0.015 0.000 2.373 469 E HA 0.001 4.351 4.350 0.000 0.000 0.267 469 E C -0.622 175.971 176.600 -0.011 0.000 1.032 469 E CA 0.782 57.175 56.400 -0.011 0.000 0.889 469 E CB 0.792 30.491 29.700 -0.002 0.000 0.984 469 E HN 0.665 nan 8.360 nan 0.000 0.425 470 D N 1.796 122.189 120.400 -0.011 0.000 2.737 470 D HA -0.258 4.382 4.640 0.000 0.000 0.233 470 D C -1.199 175.088 176.300 -0.022 0.000 1.155 470 D CA 0.939 54.935 54.000 -0.007 0.000 0.667 470 D CB -0.793 40.017 40.800 0.017 0.000 1.060 470 D HN 0.478 nan 8.370 nan 0.000 0.427 471 A N 0.629 123.424 122.820 -0.042 0.000 2.347 471 A HA 0.630 4.950 4.320 0.000 0.000 0.287 471 A C 1.216 178.757 177.584 -0.071 0.000 1.199 471 A CA 0.692 52.701 52.037 -0.046 0.000 0.851 471 A CB 0.365 19.337 19.000 -0.046 0.000 1.118 471 A HN 1.337 nan 8.150 nan 0.000 0.525 472 G N 2.187 110.954 108.800 -0.055 0.000 2.663 472 G HA2 0.056 4.016 3.960 0.000 0.000 0.686 472 G HA3 0.056 4.016 3.960 0.000 0.000 0.686 472 G C -0.503 174.351 174.900 -0.076 0.000 1.246 472 G CA -0.256 44.801 45.100 -0.071 0.000 0.795 472 G HN 1.372 nan 8.290 nan 0.000 0.627 473 K N -0.766 119.600 120.400 -0.057 0.000 2.211 473 K HA 0.833 5.153 4.320 0.000 0.000 0.237 473 K C -0.546 176.019 176.600 -0.058 0.000 1.002 473 K CA -1.076 55.219 56.287 0.014 0.000 0.885 473 K CB 1.240 33.770 32.500 0.049 0.000 1.136 473 K HN 0.232 nan 8.250 nan 0.000 0.448 474 F N 1.136 121.032 119.950 -0.090 0.000 2.456 474 F HA 0.213 4.740 4.527 -0.000 0.000 0.358 474 F C 0.748 176.430 175.800 -0.198 0.000 1.095 474 F CA 0.029 57.945 58.000 -0.140 0.000 1.216 474 F CB 1.023 39.958 39.000 -0.107 0.000 1.125 474 F HN 0.634 nan 8.300 nan 0.000 0.549 475 E N 1.461 121.515 120.200 -0.242 0.000 2.285 475 E HA 0.428 4.778 4.350 0.000 0.000 0.254 475 E C -0.751 175.594 176.600 -0.427 0.000 1.011 475 E CA -0.702 55.480 56.400 -0.363 0.000 0.873 475 E CB 0.884 30.252 29.700 -0.553 0.000 1.229 475 E HN 0.426 nan 8.360 nan 0.000 0.422 476 N N -0.064 118.477 118.700 -0.265 0.000 2.402 476 N HA 0.308 5.048 4.740 0.000 0.000 0.294 476 N C -0.864 174.769 175.510 0.205 0.000 1.203 476 N CA -0.523 52.519 53.050 -0.015 0.000 0.838 476 N CB 0.458 39.051 38.487 0.177 0.000 1.306 476 N HN 0.246 nan 8.380 nan 0.000 0.510 477 F N 1.192 121.413 119.950 0.452 0.000 2.629 477 F HA -0.053 4.474 4.527 0.000 0.000 0.369 477 F C 1.036 176.989 175.800 0.257 0.000 1.125 477 F CA 0.053 58.287 58.000 0.390 0.000 1.330 477 F CB -0.072 38.968 39.000 0.066 0.000 1.071 477 F HN 0.338 nan 8.300 nan 0.000 0.595 478 Y N 6.488 126.996 120.300 0.347 0.000 2.810 478 Y HA 0.011 4.561 4.550 -0.000 0.000 0.332 478 Y C -1.429 174.497 175.900 0.043 0.000 1.243 478 Y CA -1.920 56.270 58.100 0.150 0.000 1.537 478 Y CB 0.155 38.628 38.460 0.022 0.000 1.265 478 Y HN 0.455 nan 8.280 nan 0.000 0.572 479 P HA -0.279 nan 4.420 nan 0.000 0.222 479 P C -0.353 176.732 177.300 -0.358 0.000 1.157 479 P CA 1.983 64.891 63.100 -0.320 0.000 0.905 479 P CB -0.084 31.342 31.700 -0.458 0.000 0.792 480 V N 0.884 120.528 119.914 -0.450 0.000 2.370 480 V HA 0.018 4.138 4.120 0.000 0.000 0.257 480 V C 0.790 176.781 176.094 -0.172 0.000 1.064 480 V CA -0.063 62.106 62.300 -0.218 0.000 0.975 480 V CB -0.300 31.499 31.823 -0.041 0.000 1.067 480 V HN 0.026 nan 8.190 nan 0.000 0.485 481 L N 5.779 126.842 121.223 -0.267 0.000 2.400 481 L HA 0.039 4.379 4.340 0.000 0.000 0.262 481 L C 1.994 178.761 176.870 -0.172 0.000 1.309 481 L CA -0.038 54.625 54.840 -0.295 0.000 1.186 481 L CB -0.240 41.639 42.059 -0.301 0.000 1.375 481 L HN 0.860 nan 8.230 nan 0.000 0.433 482 T N -2.539 111.891 114.554 -0.207 0.000 2.946 482 T HA -0.212 4.138 4.350 0.000 0.000 0.271 482 T C 1.307 175.934 174.700 -0.122 0.000 1.104 482 T CA 0.862 62.860 62.100 -0.171 0.000 1.114 482 T CB -0.389 68.327 68.868 -0.253 0.000 0.867 482 T HN 0.418 nan 8.240 nan 0.000 0.513 483 F N 0.799 120.600 119.950 -0.249 0.000 2.773 483 F HA 0.294 4.821 4.527 -0.000 0.000 0.299 483 F C 1.329 177.133 175.800 0.007 0.000 1.204 483 F CA 0.024 57.891 58.000 -0.222 0.000 1.454 483 F CB -0.037 38.691 39.000 -0.453 0.000 1.117 483 F HN 0.186 nan 8.300 nan 0.000 0.590 484 L N -1.275 120.100 121.223 0.254 0.000 2.906 484 L HA 0.045 4.385 4.340 0.000 0.000 0.255 484 L C 2.055 179.129 176.870 0.340 0.000 1.166 484 L CA 0.107 55.211 54.840 0.440 0.000 0.977 484 L CB 0.013 42.264 42.059 0.320 0.000 1.313 484 L HN 0.011 nan 8.230 nan 0.000 0.549 485 S N -0.691 115.102 115.700 0.156 0.000 2.469 485 S HA -0.258 4.212 4.470 0.000 0.000 0.238 485 S C 1.813 176.416 174.600 0.006 0.000 0.998 485 S CA 0.797 59.042 58.200 0.075 0.000 0.957 485 S CB -0.573 62.642 63.200 0.026 0.000 0.764 485 S HN 0.564 nan 8.310 nan 0.000 0.514 486 Y N 1.096 121.256 120.300 -0.234 0.000 2.352 486 Y HA 0.004 4.554 4.550 0.000 0.000 0.292 486 Y C 1.413 176.999 175.900 -0.524 0.000 1.136 486 Y CA 1.141 58.917 58.100 -0.541 0.000 1.227 486 Y CB -0.154 37.652 38.460 -1.090 0.000 0.991 486 Y HN 0.339 nan 8.280 nan 0.000 0.545 487 W N 0.626 121.955 121.300 0.048 0.000 3.123 487 W HA 0.353 5.013 4.660 -0.000 0.000 0.383 487 W C -1.014 175.496 176.519 -0.015 0.000 1.102 487 W CA -0.187 57.151 57.345 -0.011 0.000 1.865 487 W CB -0.073 29.439 29.460 0.087 0.000 1.111 487 W HN -0.110 nan 8.180 nan 0.000 0.621 488 L N 1.052 122.352 121.223 0.128 0.000 2.356 488 L HA 0.349 4.689 4.340 0.000 0.000 0.277 488 L C 1.570 178.463 176.870 0.038 0.000 0.996 488 L CA -0.535 54.366 54.840 0.101 0.000 0.822 488 L CB 2.414 44.546 42.059 0.121 0.000 1.256 488 L HN -0.360 nan 8.230 nan 0.000 0.413 489 K N 2.334 122.760 120.400 0.044 0.000 2.155 489 K HA 0.084 4.404 4.320 0.000 0.000 0.203 489 K C 0.568 177.193 176.600 0.041 0.000 1.052 489 K CA 0.883 57.188 56.287 0.030 0.000 0.948 489 K CB 0.367 32.893 32.500 0.043 0.000 0.728 489 K HN 0.700 nan 8.250 nan 0.000 0.448 490 A N 3.247 126.104 122.820 0.060 0.000 3.064 490 A HA 0.306 4.626 4.320 0.000 0.000 0.339 490 A C -2.522 175.104 177.584 0.070 0.000 1.078 490 A CA -1.378 50.699 52.037 0.067 0.000 0.869 490 A CB 0.292 19.344 19.000 0.086 0.000 1.067 490 A HN -0.014 nan 8.150 nan 0.000 0.480 491 P HA -0.057 nan 4.420 nan 0.000 0.258 491 P C -0.043 177.287 177.300 0.050 0.000 1.172 491 P CA 0.517 63.647 63.100 0.049 0.000 0.762 491 P CB 0.688 32.406 31.700 0.031 0.000 0.764 492 L N 4.591 125.842 121.223 0.046 0.000 2.410 492 L HA 0.194 4.534 4.340 0.000 0.000 0.273 492 L C 0.716 177.602 176.870 0.027 0.000 1.152 492 L CA 0.360 55.225 54.840 0.041 0.000 0.855 492 L CB 0.557 42.615 42.059 -0.002 0.000 1.129 492 L HN 0.518 nan 8.230 nan 0.000 0.463 493 T N 2.260 116.847 114.554 0.054 0.000 2.893 493 T HA 0.479 4.829 4.350 0.000 0.000 0.291 493 T C -0.303 174.450 174.700 0.088 0.000 1.028 493 T CA -1.120 61.013 62.100 0.054 0.000 0.995 493 T CB 1.590 70.510 68.868 0.087 0.000 1.051 493 T HN 0.706 nan 8.240 nan 0.000 0.470 494 R N 1.416 121.947 120.500 0.051 0.000 2.594 494 R HA 0.359 4.699 4.340 0.000 0.000 0.272 494 R C -2.262 174.114 176.300 0.128 0.000 1.074 494 R CA -1.479 54.667 56.100 0.075 0.000 1.105 494 R CB -0.657 29.505 30.300 -0.230 0.000 1.008 494 R HN 0.431 nan 8.270 nan 0.000 0.472 495 P HA -0.092 nan 4.420 nan 0.000 0.255 495 P C 0.398 177.799 177.300 0.169 0.000 1.173 495 P CA 1.271 64.454 63.100 0.138 0.000 0.780 495 P CB 0.573 32.341 31.700 0.113 0.000 0.758 496 G N 3.364 112.271 108.800 0.178 0.000 3.131 496 G HA2 -0.193 3.767 3.960 0.000 0.000 0.198 496 G HA3 -0.193 3.767 3.960 0.000 0.000 0.198 496 G C -0.275 174.696 174.900 0.119 0.000 1.435 496 G CA -0.636 44.540 45.100 0.127 0.000 1.016 496 G HN 0.371 nan 8.290 nan 0.000 0.499 497 F N 2.977 122.948 119.950 0.034 0.000 2.450 497 F HA 0.529 5.056 4.527 -0.000 0.000 0.339 497 F C 1.226 177.144 175.800 0.196 0.000 1.146 497 F CA 0.107 58.127 58.000 0.033 0.000 1.267 497 F CB 0.373 39.354 39.000 -0.031 0.000 1.178 497 F HN 0.171 nan 8.300 nan 0.000 0.585 498 H N 2.646 121.797 119.070 0.135 0.000 2.467 498 H HA 0.246 4.802 4.556 0.000 0.000 0.326 498 H C -1.876 173.502 175.328 0.084 0.000 1.094 498 H CA -2.104 53.992 56.048 0.079 0.000 1.253 498 H CB 0.994 30.776 29.762 0.033 0.000 1.439 498 H HN 0.348 nan 8.280 nan 0.000 0.479 499 P HA -0.036 nan 4.420 nan 0.000 0.266 499 P C -0.396 176.950 177.300 0.076 0.000 1.195 499 P CA -0.154 63.001 63.100 0.091 0.000 0.768 499 P CB 1.088 32.823 31.700 0.058 0.000 0.838 500 V N 3.588 123.532 119.914 0.050 0.000 2.383 500 V HA 0.181 4.301 4.120 0.000 0.000 0.275 500 V C 1.254 177.361 176.094 0.021 0.000 1.036 500 V CA -0.154 62.169 62.300 0.039 0.000 0.889 500 V CB 0.467 32.307 31.823 0.030 0.000 0.985 500 V HN 0.552 nan 8.190 nan 0.000 0.459 501 N N 2.701 121.411 118.700 0.017 0.000 2.250 501 N HA 0.111 4.851 4.740 0.000 0.000 0.190 501 N C 1.217 176.725 175.510 -0.004 0.000 1.116 501 N CA 0.064 53.114 53.050 0.001 0.000 0.881 501 N CB 0.517 39.005 38.487 0.001 0.000 1.006 501 N HN 0.814 nan 8.380 nan 0.000 0.491 502 G N 1.649 110.455 108.800 0.011 0.000 2.428 502 G HA2 0.022 3.982 3.960 0.000 0.000 0.290 502 G HA3 0.022 3.982 3.960 0.000 0.000 0.290 502 G C 1.014 175.924 174.900 0.016 0.000 0.996 502 G CA -0.169 44.941 45.100 0.017 0.000 1.406 502 G HN 0.111 nan 8.290 nan 0.000 0.445 503 L N 3.351 124.571 121.223 -0.005 0.000 1.951 503 L HA -0.245 4.095 4.340 0.000 0.000 0.222 503 L C 2.483 179.402 176.870 0.082 0.000 1.078 503 L CA 2.220 57.053 54.840 -0.011 0.000 0.778 503 L CB -0.326 41.696 42.059 -0.062 0.000 0.893 503 L HN 0.518 nan 8.230 nan 0.000 0.436 504 N N -0.193 118.547 118.700 0.066 0.000 2.192 504 N HA -0.222 4.518 4.740 0.000 0.000 0.188 504 N C 1.732 177.275 175.510 0.055 0.000 1.013 504 N CA 1.718 54.808 53.050 0.066 0.000 0.863 504 N CB -0.277 38.239 38.487 0.048 0.000 0.990 504 N HN 0.541 nan 8.380 nan 0.000 0.430 505 K N 0.970 121.401 120.400 0.052 0.000 2.155 505 K HA -0.047 4.273 4.320 0.000 0.000 0.203 505 K C 2.041 178.675 176.600 0.057 0.000 1.052 505 K CA 0.766 57.083 56.287 0.050 0.000 0.948 505 K CB -0.034 32.493 32.500 0.046 0.000 0.728 505 K HN 0.335 nan 8.250 nan 0.000 0.448 506 Q N 0.326 120.165 119.800 0.065 0.000 2.119 506 Q HA -0.149 4.191 4.340 0.000 0.000 0.201 506 Q C 2.128 178.141 176.000 0.021 0.000 0.972 506 Q CA 1.074 56.919 55.803 0.071 0.000 0.847 506 Q CB -0.089 28.705 28.738 0.093 0.000 0.903 506 Q HN 0.105 nan 8.270 nan 0.000 0.433 507 R N 0.997 121.494 120.500 -0.006 0.000 2.081 507 R HA -0.126 4.214 4.340 0.000 0.000 0.235 507 R C 2.327 178.585 176.300 -0.070 0.000 1.131 507 R CA 2.244 58.232 56.100 -0.188 0.000 0.960 507 R CB -0.785 29.434 30.300 -0.135 0.000 0.856 507 R HN 0.401 nan 8.270 nan 0.000 0.436 508 T N -2.115 112.440 114.554 0.003 0.000 2.821 508 T HA -0.005 4.345 4.350 0.000 0.000 0.267 508 T C 2.001 176.742 174.700 0.069 0.000 1.046 508 T CA 1.036 63.156 62.100 0.033 0.000 1.139 508 T CB -0.596 68.298 68.868 0.042 0.000 0.871 508 T HN 0.264 nan 8.240 nan 0.000 0.454 509 A N 1.951 124.833 122.820 0.104 0.000 1.892 509 A HA 0.037 4.357 4.320 0.000 0.000 0.218 509 A C 2.469 180.185 177.584 0.220 0.000 1.188 509 A CA 1.702 53.866 52.037 0.213 0.000 0.631 509 A CB -1.045 18.115 19.000 0.267 0.000 0.822 509 A HN 0.560 nan 8.150 nan 0.000 0.447 510 L N -0.798 120.478 121.223 0.088 0.000 1.994 510 L HA -0.230 4.110 4.340 0.000 0.000 0.208 510 L C 2.706 179.589 176.870 0.022 0.000 1.071 510 L CA 1.833 56.663 54.840 -0.018 0.000 0.745 510 L CB -0.768 41.321 42.059 0.049 0.000 0.892 510 L HN 0.499 nan 8.230 nan 0.000 0.431 511 E N 0.173 120.400 120.200 0.044 0.000 2.048 511 E HA -0.256 4.094 4.350 0.000 0.000 0.202 511 E C 1.950 178.520 176.600 -0.051 0.000 1.021 511 E CA 1.620 58.014 56.400 -0.010 0.000 0.825 511 E CB -0.324 29.383 29.700 0.011 0.000 0.756 511 E HN 0.480 nan 8.360 nan 0.000 0.454 512 N N 0.486 119.190 118.700 0.008 0.000 2.149 512 N HA -0.170 4.570 4.740 0.000 0.000 0.188 512 N C 1.641 177.124 175.510 -0.045 0.000 1.019 512 N CA 0.855 53.907 53.050 0.002 0.000 0.857 512 N CB -0.497 38.037 38.487 0.078 0.000 0.997 512 N HN 0.120 nan 8.380 nan 0.000 0.426 513 F N 1.907 121.760 119.950 -0.162 0.000 2.069 513 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 513 F C 2.084 177.709 175.800 -0.291 0.000 1.113 513 F CA 1.151 58.999 58.000 -0.253 0.000 1.214 513 F CB -0.557 38.195 39.000 -0.413 0.000 0.978 513 F HN -0.067 nan 8.300 nan 0.000 0.474 514 L N -0.318 120.645 121.223 -0.433 0.000 2.141 514 L HA -0.178 4.162 4.340 0.000 0.000 0.209 514 L C 2.663 179.298 176.870 -0.392 0.000 1.094 514 L CA 1.208 55.738 54.840 -0.516 0.000 0.763 514 L CB -0.656 41.099 42.059 -0.507 0.000 0.908 514 L HN 0.092 nan 8.230 nan 0.000 0.437 515 R N 0.383 120.710 120.500 -0.289 0.000 2.070 515 R HA -0.179 4.161 4.340 0.000 0.000 0.232 515 R C 2.318 178.489 176.300 -0.216 0.000 1.138 515 R CA 1.729 57.705 56.100 -0.207 0.000 0.936 515 R CB -0.665 29.555 30.300 -0.134 0.000 0.839 515 R HN 0.268 nan 8.270 nan 0.000 0.429 516 L N -0.125 120.922 121.223 -0.293 0.000 2.127 516 L HA -0.132 4.208 4.340 0.000 0.000 0.211 516 L C 1.864 178.552 176.870 -0.302 0.000 1.089 516 L CA 1.729 56.358 54.840 -0.351 0.000 0.757 516 L CB -0.743 40.793 42.059 -0.872 0.000 0.899 516 L HN 0.096 nan 8.230 nan 0.000 0.434 517 L N 0.396 121.372 121.223 -0.411 0.000 2.083 517 L HA -0.098 4.242 4.340 0.000 0.000 0.209 517 L C 2.258 179.026 176.870 -0.171 0.000 1.083 517 L CA 1.518 56.158 54.840 -0.334 0.000 0.752 517 L CB -0.496 41.294 42.059 -0.447 0.000 0.899 517 L HN 0.529 nan 8.230 nan 0.000 0.433 518 I N -2.769 117.709 120.570 -0.154 0.000 3.858 518 I HA 0.373 4.543 4.170 0.000 0.000 0.325 518 I C 0.875 176.970 176.117 -0.037 0.000 1.403 518 I CA 0.132 61.382 61.300 -0.083 0.000 1.169 518 I CB -0.496 37.454 38.000 -0.083 0.000 1.077 518 I HN 0.195 nan 8.210 nan 0.000 0.403 519 G N 2.239 111.027 108.800 -0.020 0.000 2.289 519 G HA2 -0.211 3.749 3.960 0.000 0.000 0.280 519 G HA3 -0.211 3.749 3.960 0.000 0.000 0.280 519 G C -0.442 174.478 174.900 0.033 0.000 1.089 519 G CA 0.030 45.151 45.100 0.036 0.000 0.939 519 G HN 0.476 nan 8.290 nan 0.000 0.499 520 L N -0.480 120.750 121.223 0.011 0.000 2.385 520 L HA 0.484 4.824 4.340 0.000 0.000 0.273 520 L C -2.038 174.863 176.870 0.051 0.000 0.990 520 L CA -2.402 52.445 54.840 0.012 0.000 0.821 520 L CB 2.447 44.484 42.059 -0.036 0.000 1.279 520 L HN -0.058 nan 8.230 nan 0.000 0.412 521 P HA 0.160 nan 4.420 nan 0.000 0.275 521 P C -0.653 176.693 177.300 0.076 0.000 1.270 521 P CA -0.385 62.785 63.100 0.117 0.000 0.791 521 P CB 0.570 32.315 31.700 0.074 0.000 1.089 522 S N 0.374 116.134 115.700 0.100 0.000 2.592 522 S HA 0.111 4.581 4.470 0.000 0.000 0.271 522 S C 0.088 174.696 174.600 0.014 0.000 1.326 522 S CA -0.556 57.682 58.200 0.064 0.000 1.024 522 S CB -0.033 63.223 63.200 0.094 0.000 0.921 522 S HN 0.292 nan 8.310 nan 0.000 0.527 523 Q N 2.300 122.098 119.800 -0.004 0.000 2.289 523 Q HA 0.053 4.393 4.340 0.000 0.000 0.273 523 Q C 0.614 176.593 176.000 -0.035 0.000 1.029 523 Q CA 0.133 55.918 55.803 -0.031 0.000 0.896 523 Q CB 0.419 29.137 28.738 -0.034 0.000 1.182 523 Q HN 0.828 nan 8.270 nan 0.000 0.385 524 N N 0.791 119.452 118.700 -0.065 0.000 2.348 524 N HA -0.052 4.688 4.740 0.000 0.000 0.183 524 N C -0.221 175.226 175.510 -0.104 0.000 1.094 524 N CA -0.042 52.953 53.050 -0.091 0.000 0.885 524 N CB 0.459 38.861 38.487 -0.141 0.000 1.065 524 N HN 0.324 nan 8.380 nan 0.000 0.472 525 E N -0.382 119.760 120.200 -0.095 0.000 2.971 525 E HA -0.216 4.134 4.350 0.000 0.000 0.271 525 E C 0.607 177.143 176.600 -0.106 0.000 1.053 525 E CA 0.465 56.820 56.400 -0.076 0.000 0.817 525 E CB -1.751 27.927 29.700 -0.037 0.000 1.410 525 E HN 0.552 nan 8.360 nan 0.000 0.445 526 L N -0.298 120.795 121.223 -0.217 0.000 2.201 526 L HA -0.015 4.325 4.340 0.000 0.000 0.212 526 L C 1.174 177.918 176.870 -0.211 0.000 1.105 526 L CA 0.872 55.505 54.840 -0.345 0.000 0.775 526 L CB -0.212 41.314 42.059 -0.888 0.000 0.913 526 L HN 0.132 nan 8.230 nan 0.000 0.440 527 R N -0.864 119.548 120.500 -0.148 0.000 3.266 527 R HA -0.237 4.103 4.340 0.000 0.000 0.245 527 R C 0.838 177.222 176.300 0.140 0.000 0.941 527 R CA 0.272 56.368 56.100 -0.008 0.000 0.638 527 R CB -2.288 28.026 30.300 0.023 0.000 1.019 527 R HN 0.351 nan 8.270 nan 0.000 0.462 528 F N 0.120 120.074 119.950 0.006 0.000 2.373 528 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 528 F C 2.105 177.908 175.800 0.005 0.000 1.080 528 F CA 0.442 58.445 58.000 0.005 0.000 1.417 528 F CB 0.104 39.107 39.000 0.005 0.000 1.070 528 F HN 0.222 nan 8.300 nan 0.000 0.546 529 E N 0.400 120.712 120.200 0.187 0.000 2.118 529 E HA -0.234 4.116 4.350 0.000 0.000 0.195 529 E C 1.876 178.525 176.600 0.083 0.000 0.992 529 E CA 1.290 57.754 56.400 0.106 0.000 0.804 529 E CB -0.165 29.576 29.700 0.069 0.000 0.741 529 E HN 0.519 nan 8.360 nan 0.000 0.458 530 E N -0.078 120.177 120.200 0.091 0.000 2.110 530 E HA 0.006 4.356 4.350 0.000 0.000 0.193 530 E C 1.944 178.584 176.600 0.068 0.000 0.950 530 E CA 0.039 56.479 56.400 0.067 0.000 0.840 530 E CB 0.086 29.822 29.700 0.059 0.000 0.809 530 E HN -0.012 nan 8.360 nan 0.000 0.465 531 R N -0.186 120.377 120.500 0.104 0.000 2.152 531 R HA -0.049 4.291 4.340 0.000 0.000 0.232 531 R C 0.526 176.837 176.300 0.019 0.000 1.117 531 R CA 0.725 56.876 56.100 0.086 0.000 0.981 531 R CB -0.006 30.391 30.300 0.162 0.000 0.870 531 R HN 0.102 nan 8.270 nan 0.000 0.451 532 L N -1.374 119.850 121.223 0.001 0.000 2.558 532 L HA 0.349 4.689 4.340 0.000 0.000 0.260 532 L C 0.281 177.132 176.870 -0.032 0.000 1.130 532 L CA -0.636 54.158 54.840 -0.077 0.000 1.049 532 L CB 0.081 42.017 42.059 -0.204 0.000 1.758 532 L HN -0.121 nan 8.230 nan 0.000 0.555 533 L N 0.000 121.196 121.223 -0.046 0.000 2.949 533 L HA 0.000 4.340 4.340 0.000 0.000 0.249 533 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 533 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502