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_A 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 0.000 174.692 174.700 -0.014 0.000 1.109 10 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 10 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 11 S N 1.182 116.872 115.700 -0.017 0.000 2.704 11 S HA 0.937 5.407 4.470 -0.000 0.000 0.296 11 S C -0.964 173.621 174.600 -0.024 0.000 1.138 11 S CA -0.669 57.518 58.200 -0.022 0.000 0.875 11 S CB 1.708 64.895 63.200 -0.022 0.000 1.151 11 S HN 0.559 nan 8.310 nan 0.000 0.500 12 V N 2.300 122.198 119.914 -0.026 0.000 2.623 12 V HA 0.579 4.699 4.120 -0.000 0.000 0.304 12 V C -1.240 174.844 176.094 -0.016 0.000 1.054 12 V CA -0.771 61.513 62.300 -0.026 0.000 0.882 12 V CB 1.844 33.643 31.823 -0.040 0.000 1.002 12 V HN 0.663 nan 8.190 nan 0.000 0.424 13 K N 3.157 123.548 120.400 -0.015 0.000 2.450 13 K HA 0.708 5.027 4.320 -0.000 0.000 0.257 13 K C -0.990 175.612 176.600 0.002 0.000 0.953 13 K CA -0.320 55.963 56.287 -0.007 0.000 0.844 13 K CB 1.981 34.467 32.500 -0.025 0.000 1.103 13 K HN 0.465 nan 8.250 nan 0.000 0.429 14 V N 3.292 123.219 119.914 0.022 0.000 2.483 14 V HA 0.389 4.509 4.120 -0.000 0.000 0.295 14 V C -0.313 175.804 176.094 0.038 0.000 1.035 14 V CA -1.069 61.245 62.300 0.022 0.000 0.896 14 V CB 1.904 33.739 31.823 0.020 0.000 0.986 14 V HN 0.399 nan 8.190 nan 0.000 0.447 15 V N 4.469 124.401 119.914 0.029 0.000 2.304 15 V HA 0.473 4.593 4.120 -0.000 0.000 0.262 15 V C 0.211 176.330 176.094 0.041 0.000 1.061 15 V CA 0.166 62.487 62.300 0.034 0.000 0.872 15 V CB 0.374 32.210 31.823 0.022 0.000 1.077 15 V HN 1.060 nan 8.190 nan 0.000 0.480 16 T N 2.545 117.134 114.554 0.057 0.000 2.923 16 T HA 0.285 4.635 4.350 -0.000 0.000 0.311 16 T C 0.195 174.936 174.700 0.068 0.000 1.183 16 T CA -0.528 61.607 62.100 0.058 0.000 1.020 16 T CB 1.901 70.804 68.868 0.060 0.000 1.165 16 T HN 0.783 nan 8.240 nan 0.000 0.482 17 D N -0.088 120.349 120.400 0.062 0.000 2.328 17 D HA 0.105 4.745 4.640 -0.000 0.000 0.221 17 D C 0.994 177.335 176.300 0.068 0.000 1.072 17 D CA 0.063 54.100 54.000 0.063 0.000 0.850 17 D CB 0.198 41.030 40.800 0.052 0.000 0.922 17 D HN 0.361 nan 8.370 nan 0.000 0.516 18 K N -0.572 119.873 120.400 0.074 0.000 2.379 18 K HA 0.198 4.517 4.320 -0.000 0.000 0.194 18 K C -0.315 176.328 176.600 0.073 0.000 1.031 18 K CA 0.021 56.361 56.287 0.087 0.000 1.037 18 K CB 0.513 33.077 32.500 0.107 0.000 0.824 18 K HN 0.170 nan 8.250 nan 0.000 0.516 19 C N 1.944 121.277 119.300 0.055 0.000 2.345 19 C HA 0.426 4.886 4.460 -0.000 0.000 0.323 19 C C 0.108 175.108 174.990 0.016 0.000 1.276 19 C CA -0.926 58.089 59.018 -0.005 0.000 1.543 19 C CB 0.884 28.619 27.740 -0.008 0.000 2.211 19 C HN 0.323 nan 8.230 nan 0.000 0.493 20 T N 0.467 114.982 114.554 -0.066 0.000 2.881 20 T HA 0.637 4.987 4.350 -0.000 0.000 0.290 20 T C -1.195 173.455 174.700 -0.084 0.000 1.000 20 T CA -0.474 61.642 62.100 0.027 0.000 0.978 20 T CB 0.814 69.712 68.868 0.050 0.000 0.997 20 T HN 0.461 nan 8.240 nan 0.000 0.443 21 Y N 1.465 121.773 120.300 0.014 0.000 2.361 21 Y HA 0.772 5.322 4.550 -0.000 0.000 0.332 21 Y C 0.542 176.442 175.900 0.001 0.000 1.101 21 Y CA -0.896 57.205 58.100 0.002 0.000 1.137 21 Y CB 1.737 40.195 38.460 -0.003 0.000 1.207 21 Y HN 0.795 nan 8.280 nan 0.000 0.463 22 K N 1.739 122.211 120.400 0.121 0.000 2.583 22 K HA 0.175 4.495 4.320 -0.000 0.000 0.260 22 K C -1.667 174.956 176.600 0.037 0.000 0.931 22 K CA -0.533 55.796 56.287 0.070 0.000 0.849 22 K CB 1.200 33.728 32.500 0.047 0.000 1.347 22 K HN 0.710 nan 8.250 nan 0.000 0.425 23 D N 3.379 123.798 120.400 0.032 0.000 2.689 23 D HA -0.244 4.396 4.640 -0.000 0.000 0.237 23 D C -0.136 176.171 176.300 0.010 0.000 1.148 23 D CA 1.662 55.670 54.000 0.014 0.000 0.656 23 D CB -1.207 39.593 40.800 -0.001 0.000 1.050 23 D HN 1.013 nan 8.370 nan 0.000 0.426 24 N N -0.601 118.120 118.700 0.034 0.000 2.693 24 N HA -0.264 4.476 4.740 -0.000 0.000 0.249 24 N C -0.744 174.781 175.510 0.025 0.000 1.119 24 N CA 1.302 54.376 53.050 0.040 0.000 0.717 24 N CB -0.085 38.411 38.487 0.016 0.000 1.071 24 N HN 0.521 nan 8.380 nan 0.000 0.555 25 E N 0.071 120.276 120.200 0.009 0.000 2.277 25 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 25 E C -1.054 175.479 176.600 -0.111 0.000 0.901 25 E CA -0.902 55.461 56.400 -0.063 0.000 0.782 25 E CB 1.971 31.602 29.700 -0.115 0.000 1.228 25 E HN 0.131 nan 8.360 nan 0.000 0.424 26 L N 2.678 123.779 121.223 -0.203 0.000 2.313 26 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 26 L C -1.643 175.069 176.870 -0.263 0.000 1.013 26 L CA -0.326 54.289 54.840 -0.375 0.000 0.816 26 L CB 0.873 42.698 42.059 -0.391 0.000 1.236 26 L HN 0.432 nan 8.230 nan 0.000 0.419 27 L N 5.184 126.264 121.223 -0.239 0.000 2.319 27 L HA 0.591 4.931 4.340 -0.000 0.000 0.281 27 L C -0.497 176.359 176.870 -0.024 0.000 1.005 27 L CA -0.304 54.493 54.840 -0.072 0.000 0.828 27 L CB 1.790 43.846 42.059 -0.004 0.000 1.227 27 L HN 0.582 nan 8.230 nan 0.000 0.415 28 T N 2.388 116.993 114.554 0.086 0.000 2.841 28 T HA 0.347 4.697 4.350 -0.000 0.000 0.285 28 T C -0.332 174.529 174.700 0.268 0.000 0.991 28 T CA -0.791 61.384 62.100 0.126 0.000 0.966 28 T CB 1.665 70.575 68.868 0.070 0.000 0.962 28 T HN 0.352 nan 8.240 nan 0.000 0.438 29 K N 2.411 122.950 120.400 0.231 0.000 2.249 29 K HA 0.471 4.791 4.320 -0.000 0.000 0.280 29 K C -1.213 175.608 176.600 0.368 0.000 1.033 29 K CA -0.615 55.838 56.287 0.277 0.000 0.946 29 K CB 0.859 33.465 32.500 0.177 0.000 1.005 29 K HN 0.599 nan 8.250 nan 0.000 0.469 30 Y N 0.320 120.797 120.300 0.296 0.000 2.479 30 Y HA 0.211 4.761 4.550 -0.000 0.000 0.338 30 Y C -1.165 174.936 175.900 0.335 0.000 1.055 30 Y CA -0.738 57.540 58.100 0.298 0.000 1.023 30 Y CB 2.150 40.815 38.460 0.343 0.000 1.287 30 Y HN 0.494 nan 8.280 nan 0.000 0.447 31 S N 6.005 121.385 115.700 -0.533 0.000 2.461 31 S HA 0.291 4.761 4.470 -0.000 0.000 0.322 31 S C -1.604 172.596 174.600 -0.667 0.000 1.063 31 S CA -0.367 57.601 58.200 -0.386 0.000 1.120 31 S CB -0.238 62.849 63.200 -0.188 0.000 0.968 31 S HN 0.541 nan 8.310 nan 0.000 0.467 32 Y N 4.656 124.743 120.300 -0.355 0.000 2.404 32 Y HA 0.383 4.933 4.550 -0.000 0.000 0.344 32 Y C 0.075 175.991 175.900 0.026 0.000 0.995 32 Y CA -0.593 57.481 58.100 -0.044 0.000 1.201 32 Y CB 0.376 39.094 38.460 0.430 0.000 1.151 32 Y HN 0.603 nan 8.280 nan 0.000 0.517 33 E N 5.729 125.687 120.200 -0.404 0.000 2.183 33 E HA 0.355 4.705 4.350 -0.000 0.000 0.271 33 E C -0.883 175.396 176.600 -0.535 0.000 0.919 33 E CA -0.792 55.382 56.400 -0.378 0.000 0.781 33 E CB 2.103 31.700 29.700 -0.172 0.000 1.140 33 E HN 0.823 nan 8.360 nan 0.000 0.402 34 N N 0.587 119.058 118.700 -0.382 0.000 3.587 34 N HA 0.726 5.466 4.740 -0.000 0.000 0.339 34 N C -2.012 173.427 175.510 -0.118 0.000 1.636 34 N CA -0.648 52.247 53.050 -0.259 0.000 0.788 34 N CB 1.630 39.945 38.487 -0.287 0.000 2.205 34 N HN 0.405 nan 8.380 nan 0.000 0.600 35 A N 0.837 123.622 122.820 -0.057 0.000 2.560 35 A HA 0.418 4.737 4.320 -0.000 0.000 0.300 35 A C -1.588 175.997 177.584 0.002 0.000 1.062 35 A CA -0.445 51.577 52.037 -0.025 0.000 0.767 35 A CB 0.558 19.545 19.000 -0.021 0.000 1.288 35 A HN 0.252 nan 8.150 nan 0.000 0.396 36 V N 1.860 121.779 119.914 0.009 0.000 2.644 36 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 36 V C 0.123 176.234 176.094 0.028 0.000 1.053 36 V CA -0.383 61.928 62.300 0.018 0.000 0.987 36 V CB 1.496 33.327 31.823 0.013 0.000 1.006 36 V HN 0.768 nan 8.190 nan 0.000 0.472 37 V N 2.883 122.821 119.914 0.041 0.000 2.735 37 V HA 0.705 4.825 4.120 -0.000 0.000 0.310 37 V C -0.036 176.101 176.094 0.071 0.000 1.061 37 V CA -0.530 61.815 62.300 0.074 0.000 0.913 37 V CB 2.352 34.243 31.823 0.113 0.000 1.005 37 V HN 1.026 nan 8.190 nan 0.000 0.428 38 T N 0.686 115.283 114.554 0.072 0.000 2.861 38 T HA 0.653 5.003 4.350 -0.000 0.000 0.287 38 T C -0.843 173.856 174.700 -0.001 0.000 1.003 38 T CA -0.949 61.168 62.100 0.029 0.000 0.977 38 T CB 1.601 70.472 68.868 0.005 0.000 0.996 38 T HN 0.539 nan 8.240 nan 0.000 0.448 39 K N 2.477 122.842 120.400 -0.058 0.000 2.240 39 K HA 0.517 4.837 4.320 -0.000 0.000 0.271 39 K C -0.131 176.362 176.600 -0.179 0.000 1.018 39 K CA -0.602 55.561 56.287 -0.207 0.000 0.874 39 K CB 1.369 33.747 32.500 -0.203 0.000 1.098 39 K HN 0.624 nan 8.250 nan 0.000 0.458 40 T N 1.537 115.961 114.554 -0.216 0.000 2.913 40 T HA 0.143 4.492 4.350 -0.000 0.000 0.287 40 T C 1.504 176.116 174.700 -0.148 0.000 1.008 40 T CA -0.449 61.565 62.100 -0.143 0.000 1.067 40 T CB 1.590 70.390 68.868 -0.114 0.000 0.996 40 T HN 0.685 nan 8.240 nan 0.000 0.513 41 A N 2.017 124.779 122.820 -0.097 0.000 2.032 41 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 41 A C 2.118 179.653 177.584 -0.082 0.000 1.165 41 A CA 1.789 53.778 52.037 -0.080 0.000 0.645 41 A CB -0.825 18.143 19.000 -0.053 0.000 0.807 41 A HN 0.835 nan 8.150 nan 0.000 0.453 42 S N -0.887 114.763 115.700 -0.083 0.000 2.851 42 S HA 0.379 4.849 4.470 -0.000 0.000 0.227 42 S C 1.143 175.685 174.600 -0.096 0.000 0.958 42 S CA 0.623 58.781 58.200 -0.070 0.000 0.990 42 S CB -1.070 62.098 63.200 -0.052 0.000 0.790 42 S HN 1.887 nan 8.310 nan 0.000 0.509 43 G N 1.379 110.089 108.800 -0.150 0.000 2.323 43 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.292 43 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.292 43 G C -0.117 174.610 174.900 -0.288 0.000 1.040 43 G CA 0.408 45.379 45.100 -0.216 0.000 0.942 43 G HN 0.824 nan 8.290 nan 0.000 0.506 44 R N -0.956 119.345 120.500 -0.332 0.000 2.637 44 R HA 0.713 5.053 4.340 -0.000 0.000 0.291 44 R C -0.775 175.302 176.300 -0.372 0.000 0.963 44 R CA -1.025 54.936 56.100 -0.233 0.000 0.901 44 R CB 0.745 30.996 30.300 -0.081 0.000 1.160 44 R HN 0.012 nan 8.270 nan 0.000 0.457 45 F N 2.567 122.518 119.950 0.001 0.000 2.388 45 F HA 0.298 4.825 4.527 -0.000 0.000 0.358 45 F C -0.082 175.717 175.800 -0.001 0.000 1.122 45 F CA -0.684 57.316 58.000 0.000 0.000 1.056 45 F CB 1.533 40.535 39.000 0.002 0.000 1.155 45 F HN 0.284 nan 8.300 nan 0.000 0.461 46 D N 3.923 124.400 120.400 0.129 0.000 2.396 46 D HA 0.229 4.869 4.640 -0.000 0.000 0.225 46 D C -0.415 175.932 176.300 0.079 0.000 1.121 46 D CA 0.015 54.062 54.000 0.079 0.000 0.853 46 D CB 1.992 42.812 40.800 0.033 0.000 1.043 46 D HN 0.144 nan 8.370 nan 0.000 0.500 47 V N 2.719 122.676 119.914 0.071 0.000 2.432 47 V HA 0.206 4.326 4.120 -0.000 0.000 0.275 47 V C 0.657 176.767 176.094 0.026 0.000 1.043 47 V CA -0.115 62.214 62.300 0.048 0.000 0.925 47 V CB 1.465 33.309 31.823 0.036 0.000 0.985 47 V HN 0.432 nan 8.190 nan 0.000 0.466 48 T N 7.323 121.888 114.554 0.018 0.000 2.963 48 T HA 0.338 4.688 4.350 -0.000 0.000 0.343 48 T C -2.545 172.152 174.700 -0.004 0.000 1.146 48 T CA -1.164 60.940 62.100 0.007 0.000 1.016 48 T CB 1.174 70.046 68.868 0.007 0.000 1.046 48 T HN 0.412 nan 8.240 nan 0.000 0.496 49 P HA 0.143 nan 4.420 nan 0.000 0.265 49 P C -0.025 177.257 177.300 -0.031 0.000 1.187 49 P CA 0.055 63.140 63.100 -0.026 0.000 0.766 49 P CB 0.381 32.067 31.700 -0.024 0.000 0.820 50 T N -0.442 114.082 114.554 -0.051 0.000 2.893 50 T HA 0.689 5.039 4.350 -0.000 0.000 0.293 50 T C -0.813 173.840 174.700 -0.079 0.000 1.027 50 T CA -0.718 61.354 62.100 -0.048 0.000 0.988 50 T CB 0.991 69.842 68.868 -0.029 0.000 1.043 50 T HN 0.037 nan 8.240 nan 0.000 0.461 51 V N 2.151 122.033 119.914 -0.053 0.000 2.789 51 V HA 0.806 4.925 4.120 -0.000 0.000 0.311 51 V C -0.996 175.083 176.094 -0.025 0.000 1.073 51 V CA -0.731 61.535 62.300 -0.057 0.000 0.921 51 V CB 1.901 33.691 31.823 -0.055 0.000 1.009 51 V HN 1.048 nan 8.190 nan 0.000 0.426 52 Q N 2.275 122.080 119.800 0.009 0.000 2.406 52 Q HA 0.403 4.743 4.340 -0.000 0.000 0.244 52 Q C -1.650 174.284 176.000 -0.109 0.000 0.884 52 Q CA -0.355 55.417 55.803 -0.053 0.000 0.813 52 Q CB 1.500 30.251 28.738 0.023 0.000 1.368 52 Q HN 0.759 nan 8.270 nan 0.000 0.439 53 D N 3.021 123.320 120.400 -0.169 0.000 2.350 53 D HA 0.316 4.956 4.640 -0.000 0.000 0.249 53 D C -0.572 175.601 176.300 -0.212 0.000 1.119 53 D CA 0.615 54.564 54.000 -0.086 0.000 0.886 53 D CB 0.453 41.225 40.800 -0.045 0.000 1.195 53 D HN 0.410 nan 8.370 nan 0.000 0.437 54 Y N -0.403 120.001 120.300 0.173 0.000 2.693 54 Y HA 0.624 5.174 4.550 -0.000 0.000 0.331 54 Y C -0.205 175.807 175.900 0.186 0.000 1.092 54 Y CA -1.085 57.100 58.100 0.142 0.000 1.131 54 Y CB 1.661 40.225 38.460 0.173 0.000 1.318 54 Y HN -0.008 nan 8.280 nan 0.000 0.510 55 V N 2.142 122.216 119.914 0.266 0.000 2.555 55 V HA 0.278 4.398 4.120 -0.000 0.000 0.283 55 V C -1.307 174.976 176.094 0.315 0.000 1.020 55 V CA -0.892 61.591 62.300 0.305 0.000 0.883 55 V CB 0.401 32.346 31.823 0.204 0.000 1.030 55 V HN 0.459 nan 8.190 nan 0.000 0.448 56 F N 2.837 122.985 119.950 0.330 0.000 2.377 56 F HA 0.597 5.124 4.527 -0.000 0.000 0.328 56 F C 0.510 176.348 175.800 0.062 0.000 1.094 56 F CA -0.461 57.684 58.000 0.241 0.000 1.093 56 F CB 1.190 40.283 39.000 0.155 0.000 1.214 56 F HN 0.226 nan 8.300 nan 0.000 0.518 57 K N 3.453 123.871 120.400 0.030 0.000 2.502 57 K HA 0.480 4.800 4.320 -0.000 0.000 0.254 57 K C -2.004 174.471 176.600 -0.208 0.000 0.947 57 K CA -0.796 55.322 56.287 -0.281 0.000 0.834 57 K CB 1.579 33.541 32.500 -0.896 0.000 1.112 57 K HN 0.631 nan 8.250 nan 0.000 0.427 58 L N 3.924 125.034 121.223 -0.187 0.000 2.296 58 L HA 0.335 4.675 4.340 -0.000 0.000 0.286 58 L C -0.453 176.308 176.870 -0.182 0.000 1.023 58 L CA -0.141 54.579 54.840 -0.200 0.000 0.812 58 L CB 1.385 43.330 42.059 -0.191 0.000 1.223 58 L HN 0.564 nan 8.230 nan 0.000 0.421 59 D N 4.989 125.280 120.400 -0.183 0.000 2.402 59 D HA 0.068 4.708 4.640 -0.000 0.000 0.235 59 D C 1.190 177.437 176.300 -0.088 0.000 1.226 59 D CA 0.111 54.034 54.000 -0.129 0.000 0.918 59 D CB 0.585 41.312 40.800 -0.122 0.000 1.043 59 D HN 0.678 nan 8.370 nan 0.000 0.506 60 L N 2.831 124.026 121.223 -0.047 0.000 2.447 60 L HA -0.103 4.237 4.340 -0.000 0.000 0.225 60 L C 1.707 178.580 176.870 0.005 0.000 1.148 60 L CA 0.730 55.571 54.840 0.002 0.000 0.808 60 L CB -0.283 41.806 42.059 0.049 0.000 0.928 60 L HN 0.195 nan 8.230 nan 0.000 0.448 61 K N 2.609 123.001 120.400 -0.013 0.000 2.171 61 K HA 0.077 4.397 4.320 -0.000 0.000 0.274 61 K C 0.051 176.647 176.600 -0.006 0.000 1.110 61 K CA -0.292 55.991 56.287 -0.008 0.000 0.952 61 K CB 0.184 32.675 32.500 -0.015 0.000 1.309 61 K HN 0.145 nan 8.250 nan 0.000 0.414 62 K N 3.355 123.762 120.400 0.011 0.000 2.185 62 K HA 0.331 4.651 4.320 -0.000 0.000 0.271 62 K C -2.519 174.093 176.600 0.020 0.000 1.013 62 K CA -1.828 54.473 56.287 0.023 0.000 0.943 62 K CB 0.478 33.007 32.500 0.049 0.000 0.998 62 K HN 0.145 nan 8.250 nan 0.000 0.468 63 P HA -0.035 nan 4.420 nan 0.000 0.264 63 P C -0.312 177.004 177.300 0.027 0.000 1.193 63 P CA 0.049 63.161 63.100 0.019 0.000 0.763 63 P CB 0.612 32.326 31.700 0.023 0.000 0.810 64 E N 1.772 121.981 120.200 0.015 0.000 2.204 64 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 64 E C 0.170 176.786 176.600 0.026 0.000 0.989 64 E CA 1.056 57.465 56.400 0.015 0.000 0.824 64 E CB 0.111 29.814 29.700 0.004 0.000 0.756 64 E HN 0.352 nan 8.360 nan 0.000 0.477 65 K N 0.534 120.951 120.400 0.029 0.000 2.535 65 K HA 0.377 4.697 4.320 -0.000 0.000 0.251 65 K C -1.226 175.405 176.600 0.051 0.000 0.942 65 K CA -0.397 55.919 56.287 0.048 0.000 0.798 65 K CB 2.375 34.885 32.500 0.017 0.000 1.267 65 K HN -0.044 nan 8.250 nan 0.000 0.434 66 L N 1.415 122.701 121.223 0.105 0.000 2.322 66 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 66 L C 0.145 177.015 176.870 -0.001 0.000 1.014 66 L CA -0.635 54.232 54.840 0.046 0.000 0.815 66 L CB 1.745 43.841 42.059 0.062 0.000 1.247 66 L HN 0.738 nan 8.230 nan 0.000 0.421 67 G N 4.991 113.795 108.800 0.006 0.000 2.333 67 G HA2 0.505 4.465 3.960 -0.000 0.000 0.290 67 G HA3 0.505 4.465 3.960 -0.000 0.000 0.290 67 G C -0.633 174.318 174.900 0.085 0.000 1.150 67 G CA -0.237 44.955 45.100 0.154 0.000 0.895 67 G HN 0.393 nan 8.290 nan 0.000 0.444 71 I N 2.510 123.016 120.570 -0.106 0.000 2.352 71 I HA 0.441 4.611 4.170 -0.000 0.000 0.290 71 I C 1.153 176.952 176.117 -0.531 0.000 1.036 71 I CA 0.304 61.401 61.300 -0.338 0.000 1.336 71 I CB 1.143 38.668 38.000 -0.792 0.000 1.407 71 I HN 0.918 nan 8.210 nan 0.000 0.497 72 G N 5.540 114.100 108.800 -0.400 0.000 2.165 72 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.226 72 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.226 72 G C 0.631 175.388 174.900 -0.237 0.000 1.035 72 G CA -0.232 44.653 45.100 -0.359 0.000 0.744 72 G HN 0.619 nan 8.290 nan 0.000 0.501 73 L N 0.399 121.505 121.223 -0.195 0.000 2.353 73 L HA 0.116 4.456 4.340 -0.000 0.000 0.220 73 L C 1.902 178.693 176.870 -0.132 0.000 1.133 73 L CA 2.523 57.264 54.840 -0.164 0.000 0.798 73 L CB -0.817 41.128 42.059 -0.190 0.000 0.922 73 L HN 0.484 nan 8.230 nan 0.000 0.445 74 G N -0.624 108.100 108.800 -0.127 0.000 3.448 74 G HA2 0.329 4.289 3.960 -0.000 0.000 0.261 74 G HA3 0.329 4.289 3.960 -0.000 0.000 0.261 74 G C 0.571 175.413 174.900 -0.097 0.000 1.173 74 G CA 0.281 45.319 45.100 -0.102 0.000 0.835 74 G HN 0.521 nan 8.290 nan 0.000 0.534 75 G N -0.086 108.651 108.800 -0.104 0.000 2.753 75 G HA2 0.343 4.303 3.960 -0.000 0.000 0.285 75 G HA3 0.343 4.303 3.960 -0.000 0.000 0.285 75 G C 0.693 175.551 174.900 -0.070 0.000 1.344 75 G CA -0.485 44.562 45.100 -0.088 0.000 1.050 75 G HN 0.073 nan 8.290 nan 0.000 0.532 76 N N 0.323 118.991 118.700 -0.054 0.000 2.007 76 N HA -0.161 4.579 4.740 -0.000 0.000 0.197 76 N C 2.079 177.564 175.510 -0.041 0.000 1.050 76 N CA 1.753 54.778 53.050 -0.041 0.000 0.856 76 N CB -0.237 38.236 38.487 -0.024 0.000 1.050 76 N HN 0.425 nan 8.380 nan 0.000 0.423 77 N N 0.009 118.687 118.700 -0.038 0.000 2.104 77 N HA -0.083 4.657 4.740 -0.000 0.000 0.190 77 N C 1.824 177.310 175.510 -0.041 0.000 1.024 77 N CA 1.391 54.423 53.050 -0.030 0.000 0.853 77 N CB -1.010 37.461 38.487 -0.027 0.000 1.008 77 N HN 0.372 nan 8.380 nan 0.000 0.424 78 G N 0.722 109.482 108.800 -0.067 0.000 2.480 78 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 78 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 78 G C 1.743 176.607 174.900 -0.059 0.000 1.200 78 G CA 1.819 46.872 45.100 -0.077 0.000 0.782 78 G HN 0.518 nan 8.290 nan 0.000 0.554 79 S N 0.011 115.674 115.700 -0.061 0.000 2.368 79 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 79 S C 2.251 176.826 174.600 -0.043 0.000 1.030 79 S CA 2.140 60.308 58.200 -0.053 0.000 0.999 79 S CB -0.946 62.216 63.200 -0.064 0.000 0.844 79 S HN 0.289 nan 8.310 nan 0.000 0.459 80 T N 2.767 117.296 114.554 -0.041 0.000 2.788 80 T HA 0.070 4.420 4.350 -0.000 0.000 0.268 80 T C 1.699 176.392 174.700 -0.012 0.000 1.044 80 T CA 1.282 63.360 62.100 -0.036 0.000 1.139 80 T CB -0.542 68.308 68.868 -0.029 0.000 0.867 80 T HN 0.400 nan 8.240 nan 0.000 0.454 81 L N 1.041 122.266 121.223 0.004 0.000 2.017 81 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 81 L C 2.396 179.299 176.870 0.055 0.000 1.073 81 L CA 1.277 56.143 54.840 0.043 0.000 0.745 81 L CB -0.348 41.734 42.059 0.038 0.000 0.894 81 L HN 0.046 nan 8.230 nan 0.000 0.432 82 V N 0.293 120.222 119.914 0.025 0.000 2.490 82 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 82 V C 2.786 178.893 176.094 0.022 0.000 1.061 82 V CA 1.550 63.868 62.300 0.030 0.000 1.064 82 V CB -1.024 30.802 31.823 0.004 0.000 0.670 82 V HN 0.617 nan 8.190 nan 0.000 0.461 83 A N 0.857 123.674 122.820 -0.005 0.000 1.873 83 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 83 A C 2.582 180.139 177.584 -0.046 0.000 1.186 83 A CA 2.273 54.290 52.037 -0.033 0.000 0.616 83 A CB -0.863 18.097 19.000 -0.068 0.000 0.823 83 A HN 0.675 nan 8.150 nan 0.000 0.442 84 S N -0.177 115.502 115.700 -0.035 0.000 2.370 84 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 84 S C 1.780 176.360 174.600 -0.033 0.000 1.033 84 S CA 1.582 59.742 58.200 -0.067 0.000 1.011 84 S CB -1.111 62.101 63.200 0.020 0.000 0.852 84 S HN 0.265 nan 8.310 nan 0.000 0.457 85 V N 2.429 122.388 119.914 0.074 0.000 2.255 85 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 85 V C 2.655 178.750 176.094 0.002 0.000 1.051 85 V CA 2.036 64.390 62.300 0.090 0.000 1.018 85 V CB -0.924 30.966 31.823 0.112 0.000 0.641 85 V HN 0.464 nan 8.190 nan 0.000 0.445 86 L N -0.071 121.157 121.223 0.008 0.000 2.017 86 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 86 L C 2.772 179.649 176.870 0.013 0.000 1.073 86 L CA 1.564 56.420 54.840 0.026 0.000 0.745 86 L CB -0.878 41.239 42.059 0.097 0.000 0.894 86 L HN 0.368 nan 8.230 nan 0.000 0.432 87 A N 0.273 123.078 122.820 -0.025 0.000 1.883 87 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 87 A C 2.094 179.634 177.584 -0.073 0.000 1.186 87 A CA 2.022 54.035 52.037 -0.040 0.000 0.624 87 A CB -0.607 18.336 19.000 -0.095 0.000 0.822 87 A HN 0.457 nan 8.150 nan 0.000 0.444 88 N N -0.649 117.955 118.700 -0.159 0.000 2.270 88 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 88 N C 1.763 177.211 175.510 -0.103 0.000 1.016 88 N CA 1.389 54.325 53.050 -0.191 0.000 0.870 88 N CB -0.209 38.031 38.487 -0.412 0.000 0.979 88 N HN 0.658 nan 8.380 nan 0.000 0.431 89 K N 0.346 120.664 120.400 -0.136 0.000 2.062 89 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 89 K C 0.753 177.184 176.600 -0.282 0.000 1.051 89 K CA 1.072 57.216 56.287 -0.239 0.000 0.941 89 K CB 0.092 32.359 32.500 -0.388 0.000 0.719 89 K HN 0.243 nan 8.250 nan 0.000 0.440 90 H N 0.431 119.495 119.070 -0.010 0.000 2.520 90 H HA 0.138 4.694 4.556 -0.000 0.000 0.284 90 H C -0.194 175.125 175.328 -0.015 0.000 1.037 90 H CA -0.125 55.916 56.048 -0.011 0.000 1.168 90 H CB 0.070 29.826 29.762 -0.011 0.000 1.497 90 H HN 0.257 nan 8.280 nan 0.000 0.547 91 N N 1.206 119.934 118.700 0.047 0.000 2.688 91 N HA -0.165 4.575 4.740 -0.000 0.000 0.258 91 N C -0.503 175.032 175.510 0.041 0.000 1.016 91 N CA 0.272 53.334 53.050 0.020 0.000 0.747 91 N CB -0.928 37.566 38.487 0.013 0.000 0.895 91 N HN 0.056 nan 8.380 nan 0.000 0.543 92 V N 1.808 121.757 119.914 0.058 0.000 2.287 92 V HA 0.014 4.134 4.120 -0.000 0.000 0.246 92 V C 1.087 177.260 176.094 0.131 0.000 1.165 92 V CA -0.269 62.077 62.300 0.077 0.000 1.088 92 V CB 0.178 32.043 31.823 0.069 0.000 1.242 92 V HN 0.288 nan 8.190 nan 0.000 0.497 93 E N 4.949 125.194 120.200 0.075 0.000 2.408 93 E HA 0.461 4.811 4.350 -0.000 0.000 0.259 93 E C -0.606 176.073 176.600 0.131 0.000 1.110 93 E CA -0.444 55.973 56.400 0.028 0.000 0.929 93 E CB 0.917 30.574 29.700 -0.070 0.000 0.971 93 E HN 0.531 nan 8.360 nan 0.000 0.438 94 F N -1.924 117.996 119.950 -0.051 0.000 2.645 94 F HA 0.392 4.919 4.527 -0.000 0.000 0.310 94 F C -0.798 174.984 175.800 -0.030 0.000 1.102 94 F CA -1.497 56.478 58.000 -0.042 0.000 0.952 94 F CB 1.262 40.233 39.000 -0.049 0.000 1.326 94 F HN 0.187 nan 8.300 nan 0.000 0.456 95 Q N 1.895 121.765 119.800 0.117 0.000 2.259 95 Q HA 0.531 4.871 4.340 -0.000 0.000 0.249 95 Q C -0.119 175.958 176.000 0.127 0.000 0.914 95 Q CA -0.021 55.809 55.803 0.045 0.000 0.904 95 Q CB 1.986 30.759 28.738 0.059 0.000 1.213 95 Q HN 1.001 nan 8.270 nan 0.000 0.428 96 T N -2.744 111.839 114.554 0.048 0.000 2.696 96 T HA 0.340 4.690 4.350 -0.000 0.000 0.291 96 T C 0.738 175.465 174.700 0.045 0.000 1.095 96 T CA -0.845 61.307 62.100 0.087 0.000 1.026 96 T CB 1.430 70.343 68.868 0.076 0.000 1.390 96 T HN 0.484 nan 8.240 nan 0.000 0.513 97 K N -0.159 120.269 120.400 0.047 0.000 2.211 97 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 97 K C 1.215 177.823 176.600 0.013 0.000 1.050 97 K CA 1.282 57.586 56.287 0.029 0.000 0.945 97 K CB -0.073 32.446 32.500 0.030 0.000 0.732 97 K HN 0.544 nan 8.250 nan 0.000 0.451 98 E N -0.442 119.762 120.200 0.006 0.000 2.489 98 E HA 0.133 4.483 4.350 -0.000 0.000 0.193 98 E C 0.356 176.937 176.600 -0.030 0.000 1.057 98 E CA 0.428 56.822 56.400 -0.009 0.000 0.866 98 E CB 0.866 30.561 29.700 -0.008 0.000 0.916 98 E HN 0.476 nan 8.360 nan 0.000 0.500 99 G N -0.791 107.986 108.800 -0.038 0.000 2.434 99 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.671 99 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.671 99 G C -0.651 174.179 174.900 -0.117 0.000 1.280 99 G CA -0.687 44.377 45.100 -0.059 0.000 0.975 99 G HN 0.024 nan 8.290 nan 0.000 0.510 100 V N 1.138 120.976 119.914 -0.127 0.000 2.617 100 V HA 0.354 4.473 4.120 -0.000 0.000 0.304 100 V C 0.802 176.719 176.094 -0.295 0.000 1.040 100 V CA 0.709 62.890 62.300 -0.198 0.000 1.149 100 V CB 0.714 32.455 31.823 -0.136 0.000 0.914 100 V HN 0.723 nan 8.190 nan 0.000 0.487 101 K N 3.473 123.548 120.400 -0.543 0.000 2.385 101 K HA 0.535 4.855 4.320 -0.000 0.000 0.248 101 K C -1.064 175.171 176.600 -0.609 0.000 0.955 101 K CA -1.014 54.905 56.287 -0.613 0.000 0.816 101 K CB 2.067 34.079 32.500 -0.813 0.000 1.250 101 K HN 0.501 nan 8.250 nan 0.000 0.434 102 Q N 2.316 121.906 119.800 -0.350 0.000 2.256 102 Q HA 0.348 4.688 4.340 -0.000 0.000 0.257 102 Q C -2.250 173.655 176.000 -0.158 0.000 0.936 102 Q CA -2.079 53.598 55.803 -0.210 0.000 0.903 102 Q CB 1.096 29.747 28.738 -0.146 0.000 1.263 102 Q HN 0.429 nan 8.270 nan 0.000 0.440 103 P HA 0.110 nan 4.420 nan 0.000 0.272 103 P C -0.757 176.380 177.300 -0.272 0.000 1.223 103 P CA -0.101 62.955 63.100 -0.073 0.000 0.784 103 P CB 0.832 32.499 31.700 -0.054 0.000 0.923 104 N N -0.121 118.330 118.700 -0.416 0.000 3.344 104 N HA 0.232 4.972 4.740 -0.000 0.000 0.296 104 N C -1.287 173.901 175.510 -0.537 0.000 1.571 104 N CA -0.734 52.022 53.050 -0.490 0.000 0.844 104 N CB 0.201 38.258 38.487 -0.716 0.000 1.718 104 N HN 0.270 nan 8.380 nan 0.000 0.589 105 Y N -0.729 119.551 120.300 -0.035 0.000 2.713 105 Y HA 0.463 5.013 4.550 -0.000 0.000 0.269 105 Y C -0.378 175.653 175.900 0.219 0.000 1.106 105 Y CA -0.918 57.215 58.100 0.056 0.000 1.174 105 Y CB 0.130 38.610 38.460 0.032 0.000 1.186 105 Y HN 0.242 nan 8.280 nan 0.000 0.555 106 F N 0.767 120.778 119.950 0.102 0.000 2.629 106 F HA 0.102 4.629 4.527 -0.000 0.000 0.369 106 F C 1.522 177.372 175.800 0.084 0.000 1.125 106 F CA 1.125 59.171 58.000 0.076 0.000 1.330 106 F CB 0.541 39.568 39.000 0.045 0.000 1.071 106 F HN 0.486 nan 8.300 nan 0.000 0.595 107 G N 1.587 110.530 108.800 0.239 0.000 2.232 107 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 107 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 107 G C 0.130 175.130 174.900 0.165 0.000 0.996 107 G CA 0.123 45.324 45.100 0.169 0.000 0.626 107 G HN 0.786 nan 8.290 nan 0.000 0.509 111 Q N -0.409 119.407 119.800 0.027 0.000 2.402 111 Q HA 0.444 4.784 4.340 -0.000 0.000 0.231 111 Q C 1.465 177.520 176.000 0.092 0.000 0.888 111 Q CA 0.907 56.725 55.803 0.026 0.000 0.938 111 Q CB 0.522 29.223 28.738 -0.062 0.000 1.086 111 Q HN 0.599 nan 8.270 nan 0.000 0.543 112 C N -0.114 119.241 119.300 0.091 0.000 3.642 112 C HA 0.443 4.903 4.460 -0.000 0.000 0.305 112 C C 0.845 175.846 174.990 0.019 0.000 1.492 112 C CA -0.192 58.874 59.018 0.080 0.000 1.809 112 C CB -0.442 27.365 27.740 0.112 0.000 2.639 112 C HN 0.422 nan 8.230 nan 0.000 0.672 113 S N 1.133 116.846 115.700 0.021 0.000 2.730 113 S HA 0.784 5.254 4.470 -0.000 0.000 0.284 113 S C -0.160 174.485 174.600 0.076 0.000 1.153 113 S CA 0.034 58.234 58.200 0.000 0.000 0.995 113 S CB 1.332 64.488 63.200 -0.074 0.000 1.058 113 S HN 0.499 nan 8.310 nan 0.000 0.552 114 T N -1.140 113.464 114.554 0.084 0.000 2.901 114 T HA 0.744 5.094 4.350 -0.000 0.000 0.293 114 T C -0.759 174.093 174.700 0.253 0.000 1.084 114 T CA -0.951 61.247 62.100 0.164 0.000 1.008 114 T CB 0.815 69.762 68.868 0.131 0.000 1.170 114 T HN 0.646 nan 8.240 nan 0.000 0.509 115 L N 0.386 121.771 121.223 0.270 0.000 2.371 115 L HA 0.595 4.935 4.340 -0.000 0.000 0.262 115 L C -0.323 176.557 176.870 0.016 0.000 1.006 115 L CA -1.240 53.716 54.840 0.193 0.000 0.818 115 L CB 2.569 44.682 42.059 0.091 0.000 1.354 115 L HN 0.727 nan 8.230 nan 0.000 0.415 116 K N 1.663 121.919 120.400 -0.240 0.000 2.276 116 K HA 0.350 4.670 4.320 -0.000 0.000 0.285 116 K C 0.275 176.691 176.600 -0.307 0.000 1.062 116 K CA -0.289 55.619 56.287 -0.631 0.000 0.918 116 K CB 0.897 32.998 32.500 -0.665 0.000 1.055 116 K HN 0.616 nan 8.250 nan 0.000 0.477 117 L N 2.858 123.921 121.223 -0.267 0.000 2.298 117 L HA 0.259 4.599 4.340 -0.000 0.000 0.209 117 L C 1.115 177.903 176.870 -0.136 0.000 1.084 117 L CA 0.509 55.257 54.840 -0.155 0.000 0.816 117 L CB 0.318 42.312 42.059 -0.109 0.000 0.967 117 L HN 0.998 nan 8.230 nan 0.000 0.460 118 G N 0.130 108.831 108.800 -0.165 0.000 2.367 118 G HA2 0.213 4.173 3.960 -0.000 0.000 0.272 118 G HA3 0.213 4.173 3.960 -0.000 0.000 0.272 118 G C -1.685 173.152 174.900 -0.105 0.000 1.271 118 G CA -0.400 44.630 45.100 -0.116 0.000 0.893 118 G HN 0.010 nan 8.290 nan 0.000 0.485 119 I N -0.845 119.689 120.570 -0.060 0.000 2.693 119 I HA 0.759 4.929 4.170 -0.000 0.000 0.303 119 I C -0.443 175.662 176.117 -0.019 0.000 1.025 119 I CA -1.071 60.208 61.300 -0.035 0.000 1.086 119 I CB 2.129 40.118 38.000 -0.019 0.000 1.268 119 I HN 0.625 nan 8.210 nan 0.000 0.440 120 D N 3.928 124.325 120.400 -0.006 0.000 2.478 120 D HA 0.394 5.034 4.640 -0.000 0.000 0.274 120 D C 1.134 177.437 176.300 0.004 0.000 1.234 120 D CA -0.247 53.753 54.000 0.000 0.000 1.069 120 D CB 0.730 41.535 40.800 0.008 0.000 1.113 120 D HN 0.668 nan 8.370 nan 0.000 0.571 121 A N -0.152 122.671 122.820 0.006 0.000 1.865 121 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 121 A C 1.908 179.498 177.584 0.010 0.000 1.191 121 A CA 1.979 54.021 52.037 0.008 0.000 0.623 121 A CB -1.071 17.933 19.000 0.007 0.000 0.826 121 A HN 0.597 nan 8.150 nan 0.000 0.444 122 E N -1.465 118.742 120.200 0.011 0.000 2.209 122 E HA 0.114 4.463 4.350 -0.000 0.000 0.196 122 E C 1.436 178.045 176.600 0.016 0.000 0.993 122 E CA 1.275 57.683 56.400 0.013 0.000 0.819 122 E CB -0.355 29.353 29.700 0.014 0.000 0.745 122 E HN 0.966 nan 8.360 nan 0.000 0.477 123 G N -0.594 108.215 108.800 0.015 0.000 2.184 123 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.206 123 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.206 123 G C -0.022 174.890 174.900 0.019 0.000 0.995 123 G CA -0.151 44.959 45.100 0.017 0.000 0.651 123 G HN 0.153 nan 8.290 nan 0.000 0.511 124 N N 1.305 120.018 118.700 0.022 0.000 2.467 124 N HA 0.393 5.133 4.740 -0.000 0.000 0.262 124 N C -0.355 175.173 175.510 0.030 0.000 1.234 124 N CA -0.143 52.927 53.050 0.033 0.000 0.952 124 N CB 0.560 39.070 38.487 0.039 0.000 1.158 124 N HN 0.194 nan 8.380 nan 0.000 0.463 125 D N -0.232 120.201 120.400 0.054 0.000 2.362 125 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 125 D C -0.428 175.899 176.300 0.046 0.000 1.132 125 D CA 0.162 54.178 54.000 0.026 0.000 0.907 125 D CB 0.828 41.697 40.800 0.114 0.000 1.195 125 D HN 0.026 nan 8.370 nan 0.000 0.429 126 V N 2.193 122.054 119.914 -0.089 0.000 2.525 126 V HA 0.325 4.445 4.120 -0.000 0.000 0.299 126 V C -1.033 174.967 176.094 -0.155 0.000 1.034 126 V CA -0.804 61.481 62.300 -0.024 0.000 0.863 126 V CB 0.739 32.541 31.823 -0.035 0.000 0.999 126 V HN 0.399 nan 8.190 nan 0.000 0.423 127 Y N 2.169 122.464 120.300 -0.008 0.000 2.528 127 Y HA 0.873 5.422 4.550 -0.000 0.000 0.335 127 Y C 0.402 176.297 175.900 -0.008 0.000 1.093 127 Y CA -0.668 57.428 58.100 -0.007 0.000 1.134 127 Y CB 2.220 40.677 38.460 -0.005 0.000 1.253 127 Y HN 0.769 nan 8.280 nan 0.000 0.478 128 A N 2.458 125.362 122.820 0.140 0.000 2.515 128 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 128 A C -3.006 174.625 177.584 0.079 0.000 1.059 128 A CA -2.080 49.999 52.037 0.071 0.000 0.698 128 A CB 1.388 20.393 19.000 0.009 0.000 1.289 128 A HN 0.438 nan 8.150 nan 0.000 0.404 129 P HA -0.029 nan 4.420 nan 0.000 0.264 129 P C 0.606 177.948 177.300 0.070 0.000 1.183 129 P CA 0.237 63.381 63.100 0.075 0.000 0.763 129 P CB 0.252 31.982 31.700 0.050 0.000 0.807 130 F N 4.569 124.499 119.950 -0.033 0.000 2.176 130 F HA -0.285 4.242 4.527 -0.000 0.000 0.301 130 F C 1.382 177.117 175.800 -0.109 0.000 1.071 130 F CA 2.371 60.330 58.000 -0.068 0.000 1.289 130 F CB -0.465 38.497 39.000 -0.064 0.000 1.028 130 F HN 0.341 nan 8.300 nan 0.000 0.494 131 N N -0.702 117.963 118.700 -0.058 0.000 2.279 131 N HA 0.043 4.782 4.740 -0.000 0.000 0.226 131 N C 0.753 176.177 175.510 -0.143 0.000 1.126 131 N CA 0.585 53.535 53.050 -0.166 0.000 0.846 131 N CB -0.660 37.798 38.487 -0.047 0.000 1.050 131 N HN 0.265 nan 8.380 nan 0.000 0.502 132 S N -0.715 114.903 115.700 -0.135 0.000 2.497 132 S HA 0.190 4.659 4.470 -0.000 0.000 0.218 132 S C 1.520 176.054 174.600 -0.109 0.000 1.023 132 S CA -0.405 57.741 58.200 -0.090 0.000 0.913 132 S CB -0.373 62.798 63.200 -0.049 0.000 0.800 132 S HN 0.191 nan 8.310 nan 0.000 0.505 133 L N 0.442 121.560 121.223 -0.175 0.000 1.994 133 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 133 L C 0.722 177.520 176.870 -0.119 0.000 1.071 133 L CA 1.121 55.864 54.840 -0.162 0.000 0.745 133 L CB -0.509 41.404 42.059 -0.244 0.000 0.892 133 L HN 0.280 nan 8.230 nan 0.000 0.431 134 L N -1.139 119.993 121.223 -0.151 0.000 2.333 134 L HA 0.439 4.779 4.340 -0.000 0.000 0.263 134 L C -2.107 174.757 176.870 -0.010 0.000 1.014 134 L CA -2.012 52.809 54.840 -0.033 0.000 0.820 134 L CB 1.766 43.863 42.059 0.064 0.000 1.352 134 L HN -0.127 nan 8.230 nan 0.000 0.421 138 S N 5.774 121.419 115.700 -0.091 0.000 2.565 138 S HA 0.470 4.940 4.470 -0.000 0.000 0.274 138 S C -1.029 173.201 174.600 -0.616 0.000 1.309 138 S CA -1.132 56.905 58.200 -0.271 0.000 1.043 138 S CB 1.561 64.652 63.200 -0.181 0.000 0.939 138 S HN 0.690 nan 8.310 nan 0.000 0.504 139 P HA -0.042 nan 4.420 nan 0.000 0.228 139 P C 0.482 177.267 177.300 -0.858 0.000 1.151 139 P CA 0.808 62.815 63.100 -1.823 0.000 0.770 139 P CB -0.031 30.869 31.700 -1.333 0.000 0.786 140 N N 0.133 118.580 118.700 -0.423 0.000 2.459 140 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 140 N C 0.798 176.243 175.510 -0.109 0.000 1.046 140 N CA 0.935 53.894 53.050 -0.153 0.000 0.904 140 N CB -0.349 38.092 38.487 -0.077 0.000 0.964 140 N HN 0.126 nan 8.380 nan 0.000 0.444 141 D N -0.741 119.596 120.400 -0.105 0.000 2.525 141 D HA 0.069 4.709 4.640 -0.000 0.000 0.229 141 D C -0.478 175.969 176.300 0.244 0.000 1.202 141 D CA -0.097 53.929 54.000 0.044 0.000 0.828 141 D CB 0.010 40.835 40.800 0.043 0.000 1.008 141 D HN 0.221 nan 8.370 nan 0.000 0.493 142 F N 1.011 120.957 119.950 -0.007 0.000 2.410 142 F HA 0.206 4.733 4.527 -0.000 0.000 0.348 142 F C 0.707 176.528 175.800 0.035 0.000 1.106 142 F CA -0.704 57.303 58.000 0.011 0.000 1.163 142 F CB 1.640 40.641 39.000 0.001 0.000 1.129 142 F HN -0.331 nan 8.300 nan 0.000 0.516 143 V N 5.651 125.694 119.914 0.215 0.000 2.275 143 V HA 0.169 4.289 4.120 -0.000 0.000 0.272 143 V C -0.096 176.140 176.094 0.238 0.000 1.028 143 V CA -0.561 61.859 62.300 0.200 0.000 0.810 143 V CB 0.907 32.822 31.823 0.153 0.000 1.043 143 V HN 0.414 nan 8.190 nan 0.000 0.453 144 V N 3.898 123.888 119.914 0.128 0.000 2.509 144 V HA 0.741 4.861 4.120 -0.000 0.000 0.284 144 V C 0.373 176.395 176.094 -0.120 0.000 1.047 144 V CA 0.263 62.554 62.300 -0.014 0.000 0.952 144 V CB 1.560 33.377 31.823 -0.011 0.000 0.988 144 V HN 0.855 nan 8.190 nan 0.000 0.469 145 S N 1.809 117.283 115.700 -0.377 0.000 2.800 145 S HA 0.949 5.419 4.470 -0.000 0.000 0.293 145 S C -0.358 173.859 174.600 -0.639 0.000 1.209 145 S CA 0.304 58.186 58.200 -0.530 0.000 0.884 145 S CB 1.595 64.287 63.200 -0.847 0.000 1.244 145 S HN 1.718 nan 8.310 nan 0.000 0.540 146 G N -0.335 107.976 108.800 -0.815 0.000 2.352 146 G HA2 0.245 4.205 3.960 -0.000 0.000 0.283 146 G HA3 0.245 4.205 3.960 -0.000 0.000 0.283 146 G C -2.055 172.315 174.900 -0.884 0.000 1.308 146 G CA -0.504 44.027 45.100 -0.948 0.000 0.892 146 G HN 0.591 nan 8.290 nan 0.000 0.504 147 W N -0.178 121.023 121.300 -0.165 0.000 2.762 147 W HA 0.765 5.425 4.660 -0.000 0.000 0.355 147 W C -0.790 175.608 176.519 -0.203 0.000 1.124 147 W CA -0.191 57.081 57.345 -0.121 0.000 1.141 147 W CB 2.245 31.702 29.460 -0.005 0.000 1.432 147 W HN 0.648 nan 8.180 nan 0.000 0.586 148 D N 0.378 120.826 120.400 0.080 0.000 2.721 148 D HA 0.050 4.690 4.640 -0.000 0.000 0.221 148 D C 0.272 176.551 176.300 -0.035 0.000 1.208 148 D CA -0.381 53.586 54.000 -0.055 0.000 0.755 148 D CB 1.454 42.197 40.800 -0.094 0.000 1.732 148 D HN 0.396 nan 8.370 nan 0.000 0.490 149 I N 0.074 120.594 120.570 -0.083 0.000 3.334 149 I HA 0.142 4.311 4.170 -0.000 0.000 0.282 149 I C 0.443 176.494 176.117 -0.111 0.000 1.313 149 I CA 0.291 61.531 61.300 -0.100 0.000 1.396 149 I CB -0.128 37.746 38.000 -0.209 0.000 1.054 149 I HN 0.028 nan 8.210 nan 0.000 0.495 150 N N 2.595 121.239 118.700 -0.092 0.000 2.342 150 N HA 0.091 4.831 4.740 -0.000 0.000 0.293 150 N C 0.269 175.746 175.510 -0.054 0.000 1.026 150 N CA -0.329 52.674 53.050 -0.078 0.000 0.857 150 N CB 1.364 39.801 38.487 -0.084 0.000 1.256 150 N HN 0.236 nan 8.380 nan 0.000 0.484 151 N N 2.342 121.018 118.700 -0.040 0.000 2.494 151 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 151 N C 0.451 175.945 175.510 -0.027 0.000 1.076 151 N CA -0.039 52.994 53.050 -0.028 0.000 0.908 151 N CB -0.168 38.309 38.487 -0.016 0.000 0.967 151 N HN 0.483 nan 8.380 nan 0.000 0.449 152 A N 1.570 124.372 122.820 -0.030 0.000 2.584 152 A HA 0.018 4.338 4.320 -0.000 0.000 0.239 152 A C 0.528 178.099 177.584 -0.023 0.000 1.043 152 A CA -0.006 52.017 52.037 -0.024 0.000 0.756 152 A CB -0.195 18.785 19.000 -0.035 0.000 0.963 152 A HN 0.583 nan 8.150 nan 0.000 0.511 153 D N 2.072 122.472 120.400 -0.000 0.000 2.371 153 D HA 0.057 4.697 4.640 -0.000 0.000 0.242 153 D C 0.967 177.272 176.300 0.007 0.000 1.218 153 D CA -0.586 53.419 54.000 0.008 0.000 0.945 153 D CB 0.600 41.423 40.800 0.038 0.000 1.137 153 D HN 0.466 nan 8.370 nan 0.000 0.464 154 L N -0.162 121.065 121.223 0.006 0.000 2.450 154 L HA -0.207 4.133 4.340 -0.000 0.000 0.224 154 L C 2.106 178.992 176.870 0.026 0.000 1.149 154 L CA 0.825 55.663 54.840 -0.003 0.000 0.816 154 L CB -0.638 41.416 42.059 -0.008 0.000 0.932 154 L HN 0.512 nan 8.230 nan 0.000 0.449 155 Y N 1.249 121.521 120.300 -0.046 0.000 2.206 155 Y HA -0.175 4.375 4.550 -0.000 0.000 0.292 155 Y C 2.399 178.276 175.900 -0.038 0.000 1.123 155 Y CA 1.379 59.451 58.100 -0.046 0.000 1.142 155 Y CB -0.130 38.304 38.460 -0.044 0.000 1.006 155 Y HN 0.158 nan 8.280 nan 0.000 0.518 156 E N 1.075 121.175 120.200 -0.167 0.000 2.153 156 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 156 E C 1.304 177.785 176.600 -0.199 0.000 0.988 156 E CA 0.437 56.702 56.400 -0.226 0.000 0.811 156 E CB -0.337 29.325 29.700 -0.063 0.000 0.746 156 E HN 0.467 nan 8.360 nan 0.000 0.466 160 R N 0.716 121.148 120.500 -0.114 0.000 2.148 160 R HA 0.185 4.525 4.340 -0.000 0.000 0.223 160 R C 1.625 177.895 176.300 -0.050 0.000 1.088 160 R CA 1.689 57.748 56.100 -0.067 0.000 0.985 160 R CB -0.213 30.052 30.300 -0.059 0.000 0.880 160 R HN -0.078 nan 8.270 nan 0.000 0.451 161 S N 1.069 116.732 115.700 -0.062 0.000 2.383 161 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 161 S C 0.146 174.725 174.600 -0.036 0.000 1.026 161 S CA 0.989 59.162 58.200 -0.045 0.000 0.981 161 S CB -0.147 63.020 63.200 -0.055 0.000 0.818 161 S HN 0.447 nan 8.310 nan 0.000 0.472 162 Q N -0.551 119.223 119.800 -0.043 0.000 2.460 162 Q HA -0.143 4.197 4.340 -0.000 0.000 0.311 162 Q C 0.152 176.136 176.000 -0.027 0.000 1.396 162 Q CA 0.234 56.019 55.803 -0.029 0.000 0.838 162 Q CB -2.048 26.678 28.738 -0.021 0.000 1.140 162 Q HN 0.378 nan 8.270 nan 0.000 0.415 163 V N -1.135 118.756 119.914 -0.040 0.000 2.911 163 V HA 0.133 4.253 4.120 -0.000 0.000 0.237 163 V C 0.976 177.039 176.094 -0.053 0.000 1.156 163 V CA 0.805 63.081 62.300 -0.040 0.000 1.180 163 V CB 0.326 32.123 31.823 -0.043 0.000 0.932 163 V HN 0.346 nan 8.190 nan 0.000 0.483 164 L N 0.291 121.467 121.223 -0.080 0.000 2.399 164 L HA 0.411 4.751 4.340 -0.000 0.000 0.265 164 L C 0.372 177.182 176.870 -0.100 0.000 1.089 164 L CA -0.638 54.125 54.840 -0.128 0.000 0.802 164 L CB 0.465 42.410 42.059 -0.191 0.000 1.180 164 L HN 0.120 nan 8.230 nan 0.000 0.454 165 E N 0.411 120.528 120.200 -0.137 0.000 2.481 165 E HA -0.157 4.193 4.350 -0.000 0.000 0.263 165 E C 0.385 176.979 176.600 -0.010 0.000 0.992 165 E CA 0.448 56.829 56.400 -0.032 0.000 0.938 165 E CB 0.445 30.150 29.700 0.009 0.000 0.933 165 E HN 0.445 nan 8.360 nan 0.000 0.453 166 Y N 3.690 123.975 120.300 -0.024 0.000 2.114 166 Y HA -0.335 4.215 4.550 0.000 0.000 0.282 166 Y C 1.899 177.804 175.900 0.009 0.000 1.165 166 Y CA 2.661 60.755 58.100 -0.009 0.000 1.148 166 Y CB -0.144 38.321 38.460 0.007 0.000 0.972 166 Y HN 0.679 nan 8.280 nan 0.000 0.504 167 D N -0.357 120.040 120.400 -0.006 0.000 2.092 167 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 167 D C 2.158 178.390 176.300 -0.113 0.000 0.994 167 D CA 1.596 55.564 54.000 -0.053 0.000 0.828 167 D CB -0.482 40.392 40.800 0.123 0.000 0.963 167 D HN 0.342 nan 8.370 nan 0.000 0.450 168 L N 0.645 121.793 121.223 -0.124 0.000 2.043 168 L HA -0.199 4.140 4.340 -0.000 0.000 0.212 168 L C 2.143 178.893 176.870 -0.199 0.000 1.075 168 L CA 1.797 56.491 54.840 -0.243 0.000 0.752 168 L CB -0.771 40.877 42.059 -0.686 0.000 0.891 168 L HN 0.184 nan 8.230 nan 0.000 0.432 169 Q N -1.287 118.387 119.800 -0.210 0.000 2.084 169 Q HA -0.230 4.109 4.340 -0.000 0.000 0.202 169 Q C 2.157 178.109 176.000 -0.080 0.000 0.978 169 Q CA 1.622 57.344 55.803 -0.135 0.000 0.844 169 Q CB -0.164 28.480 28.738 -0.156 0.000 0.898 169 Q HN 0.593 nan 8.270 nan 0.000 0.426 170 Q N 0.193 119.849 119.800 -0.240 0.000 2.167 170 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 170 Q C 1.816 177.736 176.000 -0.133 0.000 0.970 170 Q CA 1.116 56.793 55.803 -0.211 0.000 0.855 170 Q CB -0.059 28.475 28.738 -0.340 0.000 0.911 170 Q HN 0.368 nan 8.270 nan 0.000 0.438 171 R N -0.058 120.380 120.500 -0.104 0.000 2.236 171 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 171 R C 1.777 178.038 176.300 -0.064 0.000 1.036 171 R CA 0.458 56.518 56.100 -0.067 0.000 1.001 171 R CB 0.140 30.424 30.300 -0.026 0.000 0.896 171 R HN 0.195 nan 8.270 nan 0.000 0.464 172 L N 0.044 121.230 121.223 -0.061 0.000 2.616 172 L HA 0.126 4.466 4.340 -0.000 0.000 0.229 172 L C 2.185 179.030 176.870 -0.042 0.000 1.110 172 L CA 0.018 54.835 54.840 -0.037 0.000 0.884 172 L CB -0.013 42.032 42.059 -0.023 0.000 1.115 172 L HN 0.028 nan 8.230 nan 0.000 0.481 173 K N 1.550 121.888 120.400 -0.102 0.000 2.044 173 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 173 K C 2.106 178.519 176.600 -0.313 0.000 1.049 173 K CA 1.783 57.859 56.287 -0.351 0.000 0.927 173 K CB -0.043 32.091 32.500 -0.611 0.000 0.713 173 K HN 0.288 nan 8.250 nan 0.000 0.443 174 A N 1.544 124.239 122.820 -0.209 0.000 1.851 174 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 174 A C 1.005 178.525 177.584 -0.106 0.000 1.195 174 A CA 1.406 53.349 52.037 -0.155 0.000 0.622 174 A CB -0.411 18.517 19.000 -0.121 0.000 0.831 174 A HN 0.336 nan 8.150 nan 0.000 0.444 178 L N 2.045 123.262 121.223 -0.011 0.000 2.640 178 L HA 0.458 4.798 4.340 -0.000 0.000 0.230 178 L C -0.318 176.547 176.870 -0.008 0.000 1.123 178 L CA 0.126 54.958 54.840 -0.013 0.000 0.900 178 L CB 0.953 43.001 42.059 -0.018 0.000 1.146 178 L HN 0.195 nan 8.230 nan 0.000 0.484 179 V N 1.117 121.028 119.914 -0.005 0.000 2.364 179 V HA 0.247 4.366 4.120 -0.000 0.000 0.272 179 V C -0.128 175.948 176.094 -0.030 0.000 1.036 179 V CA -0.514 61.775 62.300 -0.018 0.000 0.880 179 V CB 1.055 32.868 31.823 -0.017 0.000 0.991 179 V HN 0.186 nan 8.190 nan 0.000 0.460 180 K N 6.369 126.740 120.400 -0.047 0.000 2.376 180 K HA 0.509 4.829 4.320 -0.000 0.000 0.257 180 K C -2.701 173.843 176.600 -0.094 0.000 0.939 180 K CA -1.676 54.578 56.287 -0.055 0.000 0.809 180 K CB 2.433 34.911 32.500 -0.036 0.000 1.121 180 K HN 0.428 nan 8.250 nan 0.000 0.425 181 P HA 0.084 nan 4.420 nan 0.000 0.276 181 P C -0.381 176.850 177.300 -0.116 0.000 1.235 181 P CA -0.249 62.766 63.100 -0.143 0.000 0.772 181 P CB 0.651 32.283 31.700 -0.114 0.000 0.871 182 L N 5.492 126.599 121.223 -0.194 0.000 2.483 182 L HA 0.143 4.483 4.340 -0.000 0.000 0.275 182 L C -1.534 175.389 176.870 0.088 0.000 1.220 182 L CA -1.690 53.090 54.840 -0.099 0.000 0.833 182 L CB -0.455 41.445 42.059 -0.265 0.000 1.102 182 L HN 0.288 nan 8.230 nan 0.000 0.490 183 P HA 0.012 nan 4.420 nan 0.000 0.268 183 P C -0.665 176.801 177.300 0.277 0.000 1.205 183 P CA -0.030 63.159 63.100 0.148 0.000 0.771 183 P CB 1.440 33.196 31.700 0.093 0.000 0.858 184 S N 2.230 118.058 115.700 0.213 0.000 2.766 184 S HA 0.581 5.051 4.470 -0.000 0.000 0.307 184 S C -0.157 174.506 174.600 0.105 0.000 1.121 184 S CA -1.022 57.331 58.200 0.254 0.000 0.980 184 S CB 0.518 63.865 63.200 0.245 0.000 1.159 184 S HN 0.267 nan 8.310 nan 0.000 0.546 185 I N 2.780 123.403 120.570 0.089 0.000 2.342 185 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 185 I C -1.216 174.884 176.117 -0.027 0.000 1.010 185 I CA -0.406 60.822 61.300 -0.120 0.000 1.308 185 I CB 0.807 38.597 38.000 -0.351 0.000 1.400 185 I HN 0.572 nan 8.210 nan 0.000 0.488 186 Y N 8.150 128.376 120.300 -0.123 0.000 2.526 186 Y HA 0.375 4.925 4.550 -0.000 0.000 0.328 186 Y C -1.450 174.583 175.900 0.222 0.000 0.995 186 Y CA -1.145 56.959 58.100 0.007 0.000 1.304 186 Y CB 0.498 38.984 38.460 0.042 0.000 1.096 186 Y HN 0.369 nan 8.280 nan 0.000 0.499 187 Y N 8.615 128.827 120.300 -0.145 0.000 2.595 187 Y HA 0.237 4.786 4.550 -0.000 0.000 0.336 187 Y C -1.362 174.368 175.900 -0.284 0.000 0.996 187 Y CA -2.488 55.536 58.100 -0.127 0.000 1.260 187 Y CB 0.922 39.573 38.460 0.319 0.000 1.108 187 Y HN 0.529 nan 8.280 nan 0.000 0.509 188 P HA -0.216 nan 4.420 nan 0.000 0.221 188 P C 0.162 177.424 177.300 -0.063 0.000 1.141 188 P CA 1.406 64.287 63.100 -0.365 0.000 0.794 188 P CB 0.378 31.893 31.700 -0.309 0.000 0.764 189 D N -1.516 118.845 120.400 -0.065 0.000 2.363 189 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 189 D C 1.017 177.113 176.300 -0.341 0.000 1.020 189 D CA 0.594 54.477 54.000 -0.194 0.000 0.892 189 D CB -0.629 39.997 40.800 -0.291 0.000 0.900 189 D HN 0.308 nan 8.370 nan 0.000 0.531 190 F N -0.227 119.756 119.950 0.056 0.000 2.682 190 F HA 0.331 4.857 4.527 -0.000 0.000 0.308 190 F C 0.662 176.502 175.800 0.066 0.000 1.093 190 F CA -0.201 57.841 58.000 0.069 0.000 1.244 190 F CB 0.914 39.979 39.000 0.107 0.000 1.052 190 F HN -0.226 nan 8.300 nan 0.000 0.573 191 I N -0.423 120.270 120.570 0.204 0.000 2.433 191 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 191 I C 1.043 177.205 176.117 0.075 0.000 1.001 191 I CA -0.730 60.666 61.300 0.160 0.000 1.119 191 I CB 1.821 39.959 38.000 0.229 0.000 1.289 191 I HN -0.020 nan 8.210 nan 0.000 0.438 192 A N 5.264 128.103 122.820 0.033 0.000 1.849 192 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 192 A C 1.380 178.943 177.584 -0.035 0.000 1.202 192 A CA 1.668 53.700 52.037 -0.009 0.000 0.629 192 A CB -0.423 18.563 19.000 -0.023 0.000 0.834 192 A HN 0.781 nan 8.150 nan 0.000 0.447 193 A N -0.083 122.690 122.820 -0.077 0.000 2.366 193 A HA 0.457 4.777 4.320 -0.000 0.000 0.272 193 A C 0.120 177.678 177.584 -0.044 0.000 1.135 193 A CA -0.245 51.710 52.037 -0.138 0.000 0.804 193 A CB -0.303 18.502 19.000 -0.324 0.000 1.064 193 A HN 0.554 nan 8.150 nan 0.000 0.499 194 N N 1.463 120.149 118.700 -0.024 0.000 2.483 194 N HA 0.183 4.923 4.740 -0.000 0.000 0.264 194 N C -0.356 175.179 175.510 0.042 0.000 1.197 194 N CA 0.587 53.674 53.050 0.061 0.000 0.927 194 N CB 0.260 38.775 38.487 0.047 0.000 1.065 194 N HN 0.587 nan 8.380 nan 0.000 0.461 195 Q N 2.156 122.020 119.800 0.107 0.000 3.230 195 Q HA 0.187 4.526 4.340 -0.000 0.000 0.303 195 Q C -0.818 175.087 176.000 -0.159 0.000 0.884 195 Q CA -0.453 55.311 55.803 -0.065 0.000 0.859 195 Q CB 0.880 29.518 28.738 -0.167 0.000 1.432 195 Q HN 0.652 nan 8.270 nan 0.000 0.403 196 D N 0.875 121.283 120.400 0.013 0.000 2.327 196 D HA -0.115 4.524 4.640 -0.000 0.000 0.205 196 D C 1.652 177.943 176.300 -0.015 0.000 0.989 196 D CA 0.696 54.725 54.000 0.049 0.000 0.873 196 D CB 0.653 41.538 40.800 0.142 0.000 0.955 196 D HN 0.484 nan 8.370 nan 0.000 0.515 197 E N 1.615 121.801 120.200 -0.023 0.000 2.086 197 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 197 E C 1.991 178.562 176.600 -0.048 0.000 0.975 197 E CA 0.525 56.913 56.400 -0.020 0.000 0.813 197 E CB -0.490 29.208 29.700 -0.002 0.000 0.768 197 E HN 0.159 nan 8.360 nan 0.000 0.457 198 R N 1.089 121.543 120.500 -0.077 0.000 2.193 198 R HA 0.120 4.460 4.340 -0.000 0.000 0.213 198 R C 0.369 176.582 176.300 -0.144 0.000 1.055 198 R CA 0.784 56.828 56.100 -0.093 0.000 0.995 198 R CB -0.003 30.242 30.300 -0.092 0.000 0.893 198 R HN 0.137 nan 8.270 nan 0.000 0.459 199 A N 2.298 124.989 122.820 -0.215 0.000 2.923 199 A HA 0.120 4.440 4.320 -0.000 0.000 0.306 199 A C -0.612 176.900 177.584 -0.120 0.000 1.542 199 A CA -0.688 51.185 52.037 -0.273 0.000 1.225 199 A CB -0.308 18.303 19.000 -0.648 0.000 1.147 199 A HN 0.569 nan 8.150 nan 0.000 0.542 200 N N 0.554 119.210 118.700 -0.073 0.000 2.234 200 N HA 0.036 4.776 4.740 -0.000 0.000 0.227 200 N C -0.229 175.273 175.510 -0.013 0.000 1.151 200 N CA -0.259 52.775 53.050 -0.027 0.000 0.865 200 N CB 0.227 38.702 38.487 -0.021 0.000 1.066 200 N HN 0.482 nan 8.380 nan 0.000 0.515 201 N N 0.499 119.187 118.700 -0.020 0.000 2.733 201 N HA 0.217 4.957 4.740 -0.000 0.000 0.271 201 N C -1.467 174.059 175.510 0.026 0.000 1.720 201 N CA -0.328 52.724 53.050 0.003 0.000 0.803 201 N CB 0.289 38.771 38.487 -0.008 0.000 1.208 201 N HN 0.082 nan 8.380 nan 0.000 0.498 202 C N 1.150 120.475 119.300 0.042 0.000 2.493 202 C HA 0.537 4.997 4.460 -0.000 0.000 0.326 202 C C 1.995 177.006 174.990 0.035 0.000 1.200 202 C CA -0.639 58.417 59.018 0.063 0.000 1.739 202 C CB 1.198 29.011 27.740 0.121 0.000 2.300 202 C HN 0.555 nan 8.230 nan 0.000 0.500 203 I N 1.642 122.207 120.570 -0.008 0.000 3.081 203 I HA -0.018 4.152 4.170 -0.000 0.000 0.274 203 I C 0.993 177.046 176.117 -0.107 0.000 1.178 203 I CA 0.527 61.799 61.300 -0.047 0.000 1.460 203 I CB -0.127 37.826 38.000 -0.078 0.000 1.137 203 I HN 0.760 nan 8.210 nan 0.000 0.443 204 N N 4.115 122.686 118.700 -0.214 0.000 2.819 204 N HA 0.138 4.878 4.740 -0.000 0.000 0.284 204 N C -0.839 174.686 175.510 0.024 0.000 1.196 204 N CA 0.392 53.301 53.050 -0.234 0.000 1.114 204 N CB 0.164 38.448 38.487 -0.339 0.000 1.437 204 N HN 0.298 nan 8.380 nan 0.000 0.518 205 L N 1.030 122.287 121.223 0.057 0.000 2.365 205 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 205 L C 0.164 177.083 176.870 0.082 0.000 1.000 205 L CA -1.206 53.677 54.840 0.073 0.000 0.819 205 L CB 1.670 43.764 42.059 0.059 0.000 1.284 205 L HN 0.320 nan 8.230 nan 0.000 0.418 206 D N 0.401 120.845 120.400 0.073 0.000 2.447 206 D HA -0.000 4.640 4.640 -0.000 0.000 0.265 206 D C 0.762 177.093 176.300 0.051 0.000 1.250 206 D CA -0.456 53.583 54.000 0.064 0.000 1.046 206 D CB 0.668 41.499 40.800 0.052 0.000 1.095 206 D HN 0.474 nan 8.370 nan 0.000 0.555 207 E N -0.587 119.639 120.200 0.043 0.000 2.204 207 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 207 E C 1.252 177.871 176.600 0.032 0.000 0.990 207 E CA 1.399 57.821 56.400 0.036 0.000 0.821 207 E CB -0.141 29.577 29.700 0.030 0.000 0.750 207 E HN 0.399 nan 8.360 nan 0.000 0.477 208 K N -1.155 119.264 120.400 0.032 0.000 2.487 208 K HA 0.209 4.529 4.320 -0.000 0.000 0.192 208 K C 0.991 177.610 176.600 0.033 0.000 1.027 208 K CA 0.628 56.932 56.287 0.029 0.000 1.054 208 K CB 0.181 32.697 32.500 0.027 0.000 0.824 208 K HN 0.235 nan 8.250 nan 0.000 0.510 209 G N 0.867 109.690 108.800 0.038 0.000 2.136 209 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 209 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 209 G C -0.446 174.483 174.900 0.048 0.000 0.989 209 G CA -0.257 44.868 45.100 0.041 0.000 0.682 209 G HN 0.258 nan 8.290 nan 0.000 0.522 210 N N -0.582 118.148 118.700 0.051 0.000 2.472 210 N HA 0.537 5.277 4.740 -0.000 0.000 0.289 210 N C 0.399 175.952 175.510 0.072 0.000 1.156 210 N CA -0.452 52.633 53.050 0.059 0.000 0.940 210 N CB 1.827 40.343 38.487 0.048 0.000 1.200 210 N HN 0.036 nan 8.380 nan 0.000 0.511 211 V N 0.961 120.929 119.914 0.089 0.000 2.572 211 V HA 0.284 4.404 4.120 -0.000 0.000 0.291 211 V C 0.615 176.751 176.094 0.069 0.000 1.039 211 V CA 0.142 62.504 62.300 0.102 0.000 1.055 211 V CB 0.560 32.472 31.823 0.149 0.000 0.969 211 V HN 0.913 nan 8.190 nan 0.000 0.482 212 T N -0.286 114.317 114.554 0.082 0.000 2.894 212 T HA 0.389 4.739 4.350 -0.000 0.000 0.309 212 T C 0.135 174.877 174.700 0.069 0.000 1.208 212 T CA -0.065 62.068 62.100 0.055 0.000 1.016 212 T CB 1.759 70.663 68.868 0.060 0.000 1.192 212 T HN 0.683 nan 8.240 nan 0.000 0.491 213 T N -1.095 113.422 114.554 -0.060 0.000 3.287 213 T HA 0.308 4.658 4.350 -0.000 0.000 0.253 213 T C 0.371 174.986 174.700 -0.142 0.000 0.975 213 T CA -0.635 61.300 62.100 -0.274 0.000 0.912 213 T CB -0.350 68.258 68.868 -0.434 0.000 1.071 213 T HN 0.753 nan 8.240 nan 0.000 0.578 214 R N 0.286 120.792 120.500 0.009 0.000 2.532 214 R HA 0.550 4.889 4.340 -0.000 0.000 0.295 214 R C 0.699 176.976 176.300 -0.039 0.000 0.968 214 R CA 0.174 56.265 56.100 -0.015 0.000 0.916 214 R CB 0.651 30.952 30.300 0.002 0.000 1.124 214 R HN 0.365 nan 8.270 nan 0.000 0.463 215 G N 3.107 111.832 108.800 -0.126 0.000 2.212 215 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.255 215 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.255 215 G C 0.460 174.966 174.900 -0.657 0.000 1.062 215 G CA 0.444 45.415 45.100 -0.215 0.000 0.815 215 G HN 0.762 nan 8.290 nan 0.000 0.497 216 K N -1.174 118.938 120.400 -0.481 0.000 2.152 216 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 216 K C 2.037 178.526 176.600 -0.185 0.000 1.048 216 K CA 1.450 57.501 56.287 -0.392 0.000 0.933 216 K CB -0.079 32.441 32.500 0.033 0.000 0.721 216 K HN 0.673 nan 8.250 nan 0.000 0.447 217 W N 2.417 123.585 121.300 -0.220 0.000 2.358 217 W HA -0.219 4.440 4.660 -0.000 0.000 0.303 217 W C 1.970 178.427 176.519 -0.104 0.000 1.208 217 W CA 2.231 59.503 57.345 -0.121 0.000 1.274 217 W CB -0.252 29.157 29.460 -0.085 0.000 1.138 217 W HN 0.212 nan 8.180 nan 0.000 0.515 218 T N -2.348 112.164 114.554 -0.071 0.000 2.833 218 T HA -0.260 4.090 4.350 -0.000 0.000 0.269 218 T C 1.438 176.106 174.700 -0.054 0.000 1.054 218 T CA 1.880 63.939 62.100 -0.069 0.000 1.135 218 T CB -1.143 67.749 68.868 0.039 0.000 0.869 218 T HN 0.394 nan 8.240 nan 0.000 0.466 219 H N 0.575 119.580 119.070 -0.108 0.000 2.321 219 H HA 0.107 4.663 4.556 -0.000 0.000 0.300 219 H C 2.431 177.572 175.328 -0.312 0.000 1.087 219 H CA 1.182 57.134 56.048 -0.160 0.000 1.319 219 H CB -0.133 29.574 29.762 -0.091 0.000 1.379 219 H HN 0.218 nan 8.280 nan 0.000 0.501 220 L N 1.002 122.067 121.223 -0.263 0.000 2.017 220 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 220 L C 2.247 178.848 176.870 -0.447 0.000 1.073 220 L CA 1.388 55.962 54.840 -0.443 0.000 0.745 220 L CB -0.184 41.523 42.059 -0.586 0.000 0.894 220 L HN 0.367 nan 8.230 nan 0.000 0.432 221 Q N -0.735 118.776 119.800 -0.483 0.000 2.084 221 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 221 Q C 2.245 178.135 176.000 -0.183 0.000 0.978 221 Q CA 1.517 57.116 55.803 -0.341 0.000 0.844 221 Q CB -0.268 28.293 28.738 -0.294 0.000 0.898 221 Q HN 0.332 nan 8.270 nan 0.000 0.426 222 R N 1.466 121.879 120.500 -0.146 0.000 2.083 222 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 222 R C 1.899 178.161 176.300 -0.064 0.000 1.137 222 R CA 1.557 57.616 56.100 -0.069 0.000 0.951 222 R CB -0.584 29.689 30.300 -0.044 0.000 0.851 222 R HN 0.289 nan 8.270 nan 0.000 0.434 223 I N 0.287 120.744 120.570 -0.188 0.000 2.142 223 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 223 I C 2.365 178.462 176.117 -0.033 0.000 1.078 223 I CA 1.439 62.617 61.300 -0.202 0.000 1.343 223 I CB -0.376 37.258 38.000 -0.610 0.000 1.046 223 I HN 0.182 nan 8.210 nan 0.000 0.405 224 R N 0.347 120.784 120.500 -0.105 0.000 2.139 224 R HA -0.217 4.123 4.340 -0.000 0.000 0.243 224 R C 2.360 178.678 176.300 0.030 0.000 1.145 224 R CA 1.223 57.300 56.100 -0.038 0.000 0.976 224 R CB -0.456 29.784 30.300 -0.100 0.000 0.866 224 R HN 0.245 nan 8.270 nan 0.000 0.449 225 R N 1.216 121.730 120.500 0.023 0.000 2.062 225 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 225 R C 1.561 177.927 176.300 0.110 0.000 1.128 225 R CA 1.648 57.779 56.100 0.053 0.000 0.960 225 R CB -0.328 29.993 30.300 0.035 0.000 0.855 225 R HN 0.138 nan 8.270 nan 0.000 0.432 226 D N 0.081 120.583 120.400 0.170 0.000 2.144 226 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 226 D C 1.886 178.342 176.300 0.259 0.000 0.984 226 D CA 1.360 55.501 54.000 0.234 0.000 0.834 226 D CB -0.088 40.964 40.800 0.420 0.000 0.955 226 D HN 0.330 nan 8.370 nan 0.000 0.465 227 I N 0.733 121.481 120.570 0.295 0.000 2.315 227 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 227 I C 2.397 178.647 176.117 0.220 0.000 1.117 227 I CA 1.050 62.527 61.300 0.296 0.000 1.404 227 I CB -0.213 37.940 38.000 0.256 0.000 1.071 227 I HN -0.030 nan 8.210 nan 0.000 0.419 228 Q N 0.448 120.337 119.800 0.148 0.000 2.083 228 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 228 Q C 2.056 178.108 176.000 0.086 0.000 0.969 228 Q CA 1.180 57.041 55.803 0.096 0.000 0.838 228 Q CB -0.061 28.715 28.738 0.065 0.000 0.900 228 Q HN 0.508 nan 8.270 nan 0.000 0.436 229 N N 0.446 119.209 118.700 0.106 0.000 2.106 229 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 229 N C 1.583 177.152 175.510 0.100 0.000 1.029 229 N CA 0.979 54.081 53.050 0.086 0.000 0.848 229 N CB -0.420 38.120 38.487 0.089 0.000 1.007 229 N HN 0.160 nan 8.380 nan 0.000 0.423 230 F N 2.486 122.431 119.950 -0.009 0.000 2.126 230 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 230 F C 2.348 178.135 175.800 -0.021 0.000 1.096 230 F CA 1.487 59.466 58.000 -0.034 0.000 1.255 230 F CB -0.197 38.766 39.000 -0.063 0.000 0.997 230 F HN -0.067 nan 8.300 nan 0.000 0.479 231 K N -0.094 120.229 120.400 -0.128 0.000 2.097 231 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 231 K C 2.267 178.756 176.600 -0.186 0.000 1.050 231 K CA 1.460 57.616 56.287 -0.218 0.000 0.938 231 K CB -0.285 32.190 32.500 -0.041 0.000 0.718 231 K HN 0.256 nan 8.250 nan 0.000 0.442 232 E N 1.325 121.464 120.200 -0.102 0.000 2.051 232 E HA -0.142 4.207 4.350 -0.000 0.000 0.189 232 E C 1.386 177.932 176.600 -0.090 0.000 0.979 232 E CA 1.206 57.562 56.400 -0.074 0.000 0.803 232 E CB 0.116 29.798 29.700 -0.030 0.000 0.761 232 E HN 0.365 nan 8.360 nan 0.000 0.451 233 E N 0.224 120.370 120.200 -0.090 0.000 2.333 233 E HA -0.089 4.261 4.350 -0.000 0.000 0.198 233 E C 1.006 177.536 176.600 -0.117 0.000 1.007 233 E CA 0.448 56.803 56.400 -0.075 0.000 0.845 233 E CB 0.035 29.716 29.700 -0.032 0.000 0.766 233 E HN 0.192 nan 8.360 nan 0.000 0.507 234 N N -0.285 118.286 118.700 -0.214 0.000 2.177 234 N HA 0.153 4.893 4.740 -0.000 0.000 0.218 234 N C -0.154 175.246 175.510 -0.183 0.000 1.182 234 N CA 0.546 53.457 53.050 -0.231 0.000 0.882 234 N CB 1.424 39.655 38.487 -0.426 0.000 1.052 234 N HN 0.003 nan 8.380 nan 0.000 0.519 235 A N 0.967 123.698 122.820 -0.148 0.000 2.687 235 A HA -0.204 4.116 4.320 -0.000 0.000 0.299 235 A C -0.051 177.464 177.584 -0.114 0.000 1.497 235 A CA 0.693 52.667 52.037 -0.104 0.000 0.751 235 A CB -2.273 16.685 19.000 -0.071 0.000 1.048 235 A HN 0.318 nan 8.150 nan 0.000 0.464 236 L N -0.654 120.472 121.223 -0.161 0.000 2.352 236 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 236 L C 1.012 177.827 176.870 -0.091 0.000 1.034 236 L CA -0.929 53.825 54.840 -0.144 0.000 0.806 236 L CB 1.057 42.971 42.059 -0.241 0.000 1.244 236 L HN 0.421 nan 8.230 nan 0.000 0.447 237 D N 0.009 120.375 120.400 -0.058 0.000 3.012 237 D HA 0.106 4.745 4.640 -0.000 0.000 0.284 237 D C 0.136 176.426 176.300 -0.018 0.000 1.259 237 D CA 0.515 54.495 54.000 -0.032 0.000 1.036 237 D CB 0.542 41.327 40.800 -0.025 0.000 1.167 237 D HN 0.370 nan 8.370 nan 0.000 0.429 238 K N 1.200 121.591 120.400 -0.016 0.000 2.174 238 K HA 0.500 4.820 4.320 -0.000 0.000 0.275 238 K C -0.602 176.005 176.600 0.012 0.000 1.015 238 K CA -0.244 56.040 56.287 -0.005 0.000 0.933 238 K CB 2.416 34.906 32.500 -0.017 0.000 1.025 238 K HN -0.136 nan 8.250 nan 0.000 0.463 239 V N 4.143 124.081 119.914 0.041 0.000 2.888 239 V HA 0.461 4.581 4.120 -0.000 0.000 0.309 239 V C -0.756 175.381 176.094 0.072 0.000 1.114 239 V CA -0.864 61.491 62.300 0.092 0.000 0.940 239 V CB 2.058 33.992 31.823 0.185 0.000 1.021 239 V HN 0.630 nan 8.190 nan 0.000 0.426 240 I N 3.469 124.063 120.570 0.040 0.000 2.498 240 I HA 0.545 4.715 4.170 -0.000 0.000 0.290 240 I C -0.817 175.326 176.117 0.042 0.000 1.032 240 I CA -0.955 60.359 61.300 0.024 0.000 1.073 240 I CB 2.264 40.228 38.000 -0.061 0.000 1.251 240 I HN 0.254 nan 8.210 nan 0.000 0.426 241 V N 6.535 126.518 119.914 0.115 0.000 2.427 241 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 241 V C -0.360 175.716 176.094 -0.030 0.000 1.034 241 V CA -0.595 61.797 62.300 0.153 0.000 0.893 241 V CB 2.042 34.097 31.823 0.385 0.000 0.982 241 V HN 0.409 nan 8.190 nan 0.000 0.452 242 L N 5.058 126.241 121.223 -0.066 0.000 2.410 242 L HA 0.521 4.861 4.340 -0.000 0.000 0.270 242 L C -1.294 175.511 176.870 -0.109 0.000 0.983 242 L CA -0.381 54.368 54.840 -0.152 0.000 0.822 242 L CB 1.968 43.965 42.059 -0.103 0.000 1.285 242 L HN 0.891 nan 8.230 nan 0.000 0.409 243 W N 6.275 127.370 121.300 -0.342 0.000 2.335 243 W HA 0.440 5.099 4.660 -0.000 0.000 0.307 243 W C -0.917 175.509 176.519 -0.155 0.000 1.117 243 W CA -0.328 56.873 57.345 -0.240 0.000 1.228 243 W CB 1.406 30.728 29.460 -0.229 0.000 1.240 243 W HN 0.662 nan 8.180 nan 0.000 0.468 244 T N 3.850 118.160 114.554 -0.407 0.000 3.393 244 T HA 0.332 4.682 4.350 -0.000 0.000 0.298 244 T C 0.358 174.816 174.700 -0.404 0.000 1.004 244 T CA -0.256 61.702 62.100 -0.237 0.000 0.956 244 T CB 0.230 69.002 68.868 -0.159 0.000 1.182 244 T HN 0.436 nan 8.240 nan 0.000 0.497 245 A N 1.520 123.783 122.820 -0.929 0.000 2.271 245 A HA 0.676 4.996 4.320 -0.000 0.000 0.288 245 A C 0.333 177.847 177.584 -0.117 0.000 1.094 245 A CA -0.634 50.980 52.037 -0.704 0.000 0.828 245 A CB 0.167 18.371 19.000 -1.327 0.000 1.091 245 A HN 0.331 nan 8.150 nan 0.000 0.493 246 N N 0.434 119.109 118.700 -0.042 0.000 2.283 246 N HA 0.065 4.804 4.740 -0.000 0.000 0.236 246 N C 0.084 175.726 175.510 0.220 0.000 1.252 246 N CA 0.889 53.985 53.050 0.078 0.000 0.856 246 N CB 0.048 38.559 38.487 0.040 0.000 1.099 246 N HN 0.597 nan 8.380 nan 0.000 0.444 247 T N 2.172 116.812 114.554 0.144 0.000 2.888 247 T HA 0.072 4.422 4.350 -0.000 0.000 0.301 247 T C 0.465 175.212 174.700 0.077 0.000 1.001 247 T CA -0.029 62.132 62.100 0.101 0.000 1.147 247 T CB 0.203 69.085 68.868 0.023 0.000 0.931 247 T HN 0.331 nan 8.240 nan 0.000 0.541 248 E N 1.589 121.804 120.200 0.025 0.000 2.330 248 E HA 0.411 4.761 4.350 -0.000 0.000 0.256 248 E C 0.373 176.952 176.600 -0.035 0.000 1.146 248 E CA -1.079 55.354 56.400 0.055 0.000 0.945 248 E CB 0.932 30.652 29.700 0.034 0.000 1.182 248 E HN 0.577 nan 8.360 nan 0.000 0.480 249 R N -0.005 120.531 120.500 0.059 0.000 2.500 249 R HA 0.214 4.554 4.340 -0.000 0.000 0.275 249 R C -0.989 175.317 176.300 0.010 0.000 1.051 249 R CA -0.533 55.575 56.100 0.014 0.000 1.088 249 R CB 0.271 30.602 30.300 0.052 0.000 1.063 249 R HN 0.456 nan 8.270 nan 0.000 0.511 250 Y N 1.488 121.825 120.300 0.061 0.000 2.544 250 Y HA 0.055 4.604 4.550 -0.000 0.000 0.330 250 Y C 0.915 176.857 175.900 0.070 0.000 1.136 250 Y CA -0.007 58.123 58.100 0.050 0.000 1.417 250 Y CB 0.758 39.237 38.460 0.032 0.000 1.229 250 Y HN 0.357 nan 8.280 nan 0.000 0.532 251 V N 4.401 124.449 119.914 0.223 0.000 3.003 251 V HA 0.117 4.237 4.120 -0.000 0.000 0.305 251 V C -0.011 176.167 176.094 0.140 0.000 1.078 251 V CA -0.590 61.825 62.300 0.192 0.000 1.083 251 V CB 1.570 33.500 31.823 0.178 0.000 1.039 251 V HN 0.872 nan 8.190 nan 0.000 0.481 252 E N 2.830 123.091 120.200 0.102 0.000 2.266 252 E HA 0.476 4.826 4.350 -0.000 0.000 0.277 252 E C -1.356 175.267 176.600 0.039 0.000 1.018 252 E CA -0.650 55.789 56.400 0.065 0.000 0.840 252 E CB 1.765 31.497 29.700 0.053 0.000 1.082 252 E HN 0.543 nan 8.360 nan 0.000 0.395 253 V N 3.451 123.383 119.914 0.030 0.000 2.383 253 V HA 0.346 4.465 4.120 -0.000 0.000 0.275 253 V C -0.388 175.710 176.094 0.006 0.000 1.036 253 V CA -0.392 61.917 62.300 0.015 0.000 0.889 253 V CB 1.215 33.052 31.823 0.024 0.000 0.985 253 V HN 0.608 nan 8.190 nan 0.000 0.459 254 S N 6.144 121.838 115.700 -0.010 0.000 2.549 254 S HA 0.606 5.075 4.470 -0.000 0.000 0.280 254 S C -2.866 171.728 174.600 -0.010 0.000 1.109 254 S CA -1.088 57.109 58.200 -0.005 0.000 0.905 254 S CB 2.647 65.846 63.200 -0.002 0.000 1.081 254 S HN 0.621 nan 8.310 nan 0.000 0.477 255 P HA 0.243 nan 4.420 nan 0.000 0.271 255 P C 0.862 178.162 177.300 0.001 0.000 1.216 255 P CA 0.657 63.758 63.100 0.002 0.000 0.771 255 P CB 0.517 32.221 31.700 0.007 0.000 0.864 256 G N 1.567 110.366 108.800 -0.002 0.000 2.245 256 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 256 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 256 G C 0.613 175.508 174.900 -0.008 0.000 0.985 256 G CA 0.442 45.542 45.100 -0.000 0.000 0.625 256 G HN 0.409 nan 8.290 nan 0.000 0.536 257 V N 1.376 121.270 119.914 -0.033 0.000 2.804 257 V HA 0.190 4.310 4.120 -0.000 0.000 0.218 257 V C 1.605 177.636 176.094 -0.105 0.000 1.159 257 V CA 1.535 63.775 62.300 -0.100 0.000 1.223 257 V CB -0.227 31.474 31.823 -0.203 0.000 0.917 257 V HN 0.643 nan 8.190 nan 0.000 0.510 258 N N 0.499 119.136 118.700 -0.106 0.000 2.535 258 N HA 0.039 4.779 4.740 -0.000 0.000 0.294 258 N C 0.173 175.671 175.510 -0.021 0.000 1.408 258 N CA 0.257 53.268 53.050 -0.064 0.000 0.927 258 N CB 0.178 38.618 38.487 -0.079 0.000 1.276 258 N HN 0.716 nan 8.380 nan 0.000 0.505 259 D N -0.870 119.523 120.400 -0.011 0.000 2.463 259 D HA 0.026 4.666 4.640 -0.000 0.000 0.237 259 D C 0.108 176.418 176.300 0.017 0.000 1.013 259 D CA 0.512 54.517 54.000 0.008 0.000 0.910 259 D CB -0.116 40.688 40.800 0.007 0.000 1.080 259 D HN -0.038 nan 8.370 nan 0.000 0.498 263 N N 1.256 119.956 118.700 -0.000 0.000 2.171 263 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 263 N C 1.976 177.486 175.510 -0.001 0.000 1.021 263 N CA 0.889 53.936 53.050 -0.004 0.000 0.854 263 N CB 0.300 38.782 38.487 -0.007 0.000 0.994 263 N HN -0.066 nan 8.380 nan 0.000 0.426 264 L N 1.835 123.063 121.223 0.009 0.000 1.994 264 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 264 L C 1.998 178.899 176.870 0.052 0.000 1.071 264 L CA 1.379 56.230 54.840 0.019 0.000 0.745 264 L CB -0.570 41.505 42.059 0.027 0.000 0.892 264 L HN 0.143 nan 8.230 nan 0.000 0.431 265 L N -0.853 120.412 121.223 0.070 0.000 1.997 265 L HA -0.298 4.042 4.340 -0.000 0.000 0.216 265 L C 2.775 179.661 176.870 0.027 0.000 1.074 265 L CA 1.486 56.394 54.840 0.113 0.000 0.763 265 L CB -0.852 41.258 42.059 0.086 0.000 0.890 265 L HN 0.405 nan 8.230 nan 0.000 0.434 266 Q N -0.432 119.349 119.800 -0.032 0.000 2.079 266 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 266 Q C 2.435 178.433 176.000 -0.003 0.000 0.974 266 Q CA 1.641 57.403 55.803 -0.068 0.000 0.840 266 Q CB -0.347 28.356 28.738 -0.057 0.000 0.898 266 Q HN 0.453 nan 8.270 nan 0.000 0.430 267 S N 0.821 116.542 115.700 0.036 0.000 2.440 267 S HA -0.098 4.372 4.470 -0.000 0.000 0.238 267 S C 1.948 176.620 174.600 0.120 0.000 1.010 267 S CA 0.740 58.993 58.200 0.088 0.000 0.972 267 S CB -0.146 63.061 63.200 0.013 0.000 0.774 267 S HN 0.307 nan 8.310 nan 0.000 0.501 268 I N 1.024 121.663 120.570 0.116 0.000 2.235 268 I HA -0.121 4.049 4.170 -0.000 0.000 0.241 268 I C 2.194 178.409 176.117 0.163 0.000 1.085 268 I CA 1.010 62.415 61.300 0.176 0.000 1.378 268 I CB -0.235 37.942 38.000 0.296 0.000 1.076 268 I HN 0.170 nan 8.210 nan 0.000 0.415 269 K N 0.850 121.304 120.400 0.090 0.000 2.211 269 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 269 K C 1.138 177.723 176.600 -0.024 0.000 1.047 269 K CA 1.321 57.590 56.287 -0.031 0.000 0.935 269 K CB -0.287 32.021 32.500 -0.320 0.000 0.728 269 K HN 0.285 nan 8.250 nan 0.000 0.452 270 N N 0.949 119.649 118.700 0.000 0.000 2.336 270 N HA -0.033 4.707 4.740 -0.000 0.000 0.189 270 N C -0.997 174.516 175.510 0.006 0.000 1.113 270 N CA 0.290 53.338 53.050 -0.004 0.000 0.858 270 N CB 0.323 38.818 38.487 0.013 0.000 0.970 270 N HN 0.033 nan 8.380 nan 0.000 0.471 271 D N 0.288 120.707 120.400 0.030 0.000 2.697 271 D HA -0.249 4.391 4.640 -0.000 0.000 0.235 271 D C -0.273 176.045 176.300 0.031 0.000 1.167 271 D CA 0.787 54.794 54.000 0.012 0.000 0.656 271 D CB -1.628 39.143 40.800 -0.047 0.000 1.025 271 D HN 0.438 nan 8.370 nan 0.000 0.419 272 H N 1.046 120.122 119.070 0.009 0.000 2.871 272 H HA 0.011 4.567 4.556 -0.000 0.000 0.355 272 H C 1.343 176.699 175.328 0.047 0.000 1.092 272 H CA 0.473 56.533 56.048 0.020 0.000 1.420 272 H CB 1.082 30.863 29.762 0.032 0.000 1.400 272 H HN 0.050 nan 8.280 nan 0.000 0.604 273 E N 3.011 123.358 120.200 0.246 0.000 2.409 273 E HA -0.128 4.221 4.350 -0.000 0.000 0.198 273 E C 0.518 177.346 176.600 0.381 0.000 1.024 273 E CA 0.692 57.221 56.400 0.217 0.000 0.861 273 E CB 0.248 29.975 29.700 0.045 0.000 0.788 273 E HN 0.676 nan 8.360 nan 0.000 0.521 274 E N -0.245 120.259 120.200 0.508 0.000 2.444 274 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 274 E C -0.496 176.238 176.600 0.224 0.000 1.041 274 E CA -0.261 56.289 56.400 0.251 0.000 0.883 274 E CB 0.481 30.144 29.700 -0.061 0.000 1.024 274 E HN 0.022 nan 8.360 nan 0.000 0.470 275 I N 1.347 122.091 120.570 0.290 0.000 2.328 275 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 275 I C 0.018 176.116 176.117 -0.032 0.000 1.012 275 I CA -0.503 60.872 61.300 0.125 0.000 1.195 275 I CB 1.247 39.328 38.000 0.134 0.000 1.350 275 I HN -0.108 nan 8.210 nan 0.000 0.464 276 A N 9.100 131.632 122.820 -0.480 0.000 2.264 276 A HA 0.710 5.030 4.320 -0.000 0.000 0.304 276 A C -1.627 175.620 177.584 -0.560 0.000 1.100 276 A CA -1.251 50.051 52.037 -1.224 0.000 0.839 276 A CB 0.224 18.497 19.000 -1.212 0.000 1.121 276 A HN 0.571 nan 8.150 nan 0.000 0.496 277 P HA -0.194 nan 4.420 nan 0.000 0.218 277 P C 1.499 178.806 177.300 0.012 0.000 1.148 277 P CA 2.174 65.074 63.100 -0.335 0.000 0.822 277 P CB -0.052 31.488 31.700 -0.266 0.000 0.784 278 S N -0.687 114.893 115.700 -0.199 0.000 2.368 278 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 278 S C 2.031 176.418 174.600 -0.355 0.000 1.030 278 S CA 1.952 59.917 58.200 -0.392 0.000 0.999 278 S CB -2.080 60.447 63.200 -1.122 0.000 0.844 278 S HN 0.116 nan 8.310 nan 0.000 0.459 279 T N 2.950 117.285 114.554 -0.365 0.000 2.720 279 T HA 0.028 4.378 4.350 -0.000 0.000 0.268 279 T C 1.739 176.285 174.700 -0.256 0.000 1.037 279 T CA 1.684 63.601 62.100 -0.305 0.000 1.144 279 T CB -0.533 68.203 68.868 -0.220 0.000 0.864 279 T HN 0.435 nan 8.240 nan 0.000 0.444 280 I N -0.191 120.246 120.570 -0.221 0.000 2.163 280 I HA -0.093 4.077 4.170 -0.000 0.000 0.240 280 I C 2.070 177.983 176.117 -0.339 0.000 1.081 280 I CA 1.393 62.539 61.300 -0.256 0.000 1.353 280 I CB -0.463 37.368 38.000 -0.281 0.000 1.054 280 I HN 0.141 nan 8.210 nan 0.000 0.407 281 F N 1.205 120.947 119.950 -0.347 0.000 2.091 281 F HA -0.287 4.240 4.527 -0.000 0.000 0.299 281 F C 2.654 178.140 175.800 -0.524 0.000 1.103 281 F CA 1.698 59.470 58.000 -0.380 0.000 1.228 281 F CB -0.703 38.176 39.000 -0.202 0.000 0.984 281 F HN 0.026 nan 8.300 nan 0.000 0.477 282 A N 0.064 122.475 122.820 -0.682 0.000 1.851 282 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 282 A C 2.425 179.771 177.584 -0.396 0.000 1.195 282 A CA 2.059 53.459 52.037 -1.061 0.000 0.622 282 A CB -1.485 16.906 19.000 -1.015 0.000 0.831 282 A HN 0.333 nan 8.150 nan 0.000 0.444 283 A N -0.160 122.495 122.820 -0.275 0.000 1.892 283 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 283 A C 2.554 180.057 177.584 -0.134 0.000 1.188 283 A CA 2.733 54.683 52.037 -0.146 0.000 0.631 283 A CB -1.238 17.691 19.000 -0.119 0.000 0.822 283 A HN 1.249 nan 8.150 nan 0.000 0.447 284 A N -0.683 122.019 122.820 -0.197 0.000 1.940 284 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 284 A C 2.446 179.990 177.584 -0.067 0.000 1.176 284 A CA 2.228 54.160 52.037 -0.175 0.000 0.631 284 A CB -0.886 17.953 19.000 -0.269 0.000 0.814 284 A HN 0.497 nan 8.150 nan 0.000 0.446 285 S N -0.124 115.557 115.700 -0.031 0.000 2.368 285 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 285 S C 1.795 176.448 174.600 0.089 0.000 1.030 285 S CA 1.481 59.739 58.200 0.096 0.000 0.999 285 S CB -0.492 62.842 63.200 0.223 0.000 0.844 285 S HN 0.567 nan 8.310 nan 0.000 0.459 286 I N 1.521 122.121 120.570 0.050 0.000 2.226 286 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 286 I C 1.812 177.947 176.117 0.029 0.000 1.100 286 I CA 1.059 62.393 61.300 0.057 0.000 1.374 286 I CB -0.450 37.575 38.000 0.042 0.000 1.057 286 I HN 0.213 nan 8.210 nan 0.000 0.413 287 L N 0.326 121.553 121.223 0.005 0.000 2.456 287 L HA -0.117 4.223 4.340 -0.000 0.000 0.224 287 L C 1.642 178.517 176.870 0.009 0.000 1.148 287 L CA 0.804 55.643 54.840 -0.002 0.000 0.825 287 L CB -0.362 41.682 42.059 -0.024 0.000 0.937 287 L HN 0.258 nan 8.230 nan 0.000 0.450 288 E N -0.027 120.191 120.200 0.029 0.000 2.501 288 E HA 0.139 4.489 4.350 -0.000 0.000 0.200 288 E C 1.315 177.950 176.600 0.060 0.000 1.016 288 E CA 0.499 56.926 56.400 0.046 0.000 0.921 288 E CB 0.692 30.433 29.700 0.068 0.000 1.034 288 E HN 0.353 nan 8.360 nan 0.000 0.468 289 G N 1.303 110.139 108.800 0.059 0.000 2.203 289 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.263 289 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.263 289 G C 0.335 175.298 174.900 0.104 0.000 1.012 289 G CA 0.620 45.765 45.100 0.075 0.000 0.749 289 G HN 0.177 nan 8.290 nan 0.000 0.512 290 V N 2.488 122.475 119.914 0.122 0.000 2.370 290 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 290 V C -1.342 174.867 176.094 0.192 0.000 1.023 290 V CA -1.709 60.677 62.300 0.144 0.000 0.857 290 V CB 1.833 33.753 31.823 0.162 0.000 0.985 290 V HN 0.216 nan 8.190 nan 0.000 0.443 291 P HA 0.044 nan 4.420 nan 0.000 0.268 291 P C -1.356 176.109 177.300 0.274 0.000 1.204 291 P CA 0.133 63.373 63.100 0.233 0.000 0.768 291 P CB 0.504 32.297 31.700 0.155 0.000 0.842 292 Y N 4.027 124.446 120.300 0.197 0.000 2.393 292 Y HA 0.596 5.146 4.550 -0.000 0.000 0.341 292 Y C -0.514 175.567 175.900 0.301 0.000 0.988 292 Y CA -0.875 57.367 58.100 0.236 0.000 1.078 292 Y CB 1.284 39.903 38.460 0.264 0.000 1.203 292 Y HN 0.220 nan 8.280 nan 0.000 0.453 293 I N 4.940 125.322 120.570 -0.314 0.000 2.608 293 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 293 I C -1.083 174.869 176.117 -0.274 0.000 1.049 293 I CA -1.097 60.150 61.300 -0.088 0.000 1.063 293 I CB 2.002 39.980 38.000 -0.036 0.000 1.248 293 I HN 0.578 nan 8.210 nan 0.000 0.424 294 N N 3.662 122.416 118.700 0.090 0.000 2.546 294 N HA 0.309 5.049 4.740 -0.000 0.000 0.238 294 N C 0.519 176.084 175.510 0.091 0.000 0.984 294 N CA -0.391 52.673 53.050 0.024 0.000 0.935 294 N CB 1.533 40.024 38.487 0.007 0.000 1.122 294 N HN 0.769 nan 8.380 nan 0.000 0.510 295 G N 1.224 110.101 108.800 0.128 0.000 3.088 295 G HA2 0.061 4.021 3.960 -0.000 0.000 0.212 295 G HA3 0.061 4.021 3.960 -0.000 0.000 0.212 295 G C -0.175 174.820 174.900 0.157 0.000 1.173 295 G CA -0.081 45.102 45.100 0.139 0.000 0.779 295 G HN 0.478 nan 8.290 nan 0.000 0.540 296 S N 0.414 116.194 115.700 0.133 0.000 2.566 296 S HA 0.518 4.988 4.470 -0.000 0.000 0.298 296 S C -2.689 171.901 174.600 -0.016 0.000 1.083 296 S CA -1.068 57.182 58.200 0.083 0.000 0.978 296 S CB 2.731 66.017 63.200 0.144 0.000 1.073 296 S HN 0.012 nan 8.310 nan 0.000 0.491 297 P HA 0.189 nan 4.420 nan 0.000 0.237 297 P C -1.328 175.836 177.300 -0.227 0.000 1.788 297 P CA -0.118 62.964 63.100 -0.031 0.000 1.061 297 P CB -0.454 31.259 31.700 0.023 0.000 1.967 298 Q N 1.539 121.208 119.800 -0.218 0.000 2.305 298 Q HA 0.219 4.558 4.340 -0.000 0.000 0.271 298 Q C 0.435 176.358 176.000 -0.129 0.000 1.046 298 Q CA -0.816 54.778 55.803 -0.347 0.000 0.798 298 Q CB 1.561 30.058 28.738 -0.402 0.000 1.286 298 Q HN 0.196 nan 8.270 nan 0.000 0.435 299 N N 1.513 120.240 118.700 0.046 0.000 3.105 299 N HA -0.049 4.691 4.740 -0.000 0.000 0.309 299 N C -0.127 175.368 175.510 -0.024 0.000 1.291 299 N CA 0.223 53.347 53.050 0.124 0.000 1.153 299 N CB 0.200 38.836 38.487 0.248 0.000 1.447 299 N HN 0.477 nan 8.380 nan 0.000 0.555 300 T N -0.081 114.350 114.554 -0.204 0.000 2.821 300 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 300 T C 0.486 174.982 174.700 -0.341 0.000 1.046 300 T CA 0.858 62.724 62.100 -0.391 0.000 1.139 300 T CB -0.290 68.169 68.868 -0.682 0.000 0.871 300 T HN 0.414 nan 8.240 nan 0.000 0.454 301 F N 3.516 123.461 119.950 -0.010 0.000 2.705 301 F HA 0.244 4.771 4.527 -0.000 0.000 0.355 301 F C 0.975 176.785 175.800 0.016 0.000 1.172 301 F CA -1.117 56.887 58.000 0.008 0.000 1.332 301 F CB -0.835 38.190 39.000 0.041 0.000 1.621 301 F HN -0.048 nan 8.300 nan 0.000 0.605 302 V N -0.167 119.815 119.914 0.113 0.000 3.209 302 V HA -0.041 4.079 4.120 -0.000 0.000 0.305 302 V C -1.038 175.117 176.094 0.101 0.000 1.127 302 V CA -1.312 61.040 62.300 0.087 0.000 1.235 302 V CB 0.194 32.039 31.823 0.036 0.000 0.987 302 V HN 0.183 nan 8.190 nan 0.000 0.499 303 P HA -0.138 nan 4.420 nan 0.000 0.219 303 P C 1.476 178.815 177.300 0.066 0.000 1.144 303 P CA 2.144 65.290 63.100 0.077 0.000 0.806 303 P CB -0.181 31.555 31.700 0.061 0.000 0.771 304 G N 0.577 109.408 108.800 0.052 0.000 2.414 304 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 304 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 304 G C 1.710 176.645 174.900 0.058 0.000 1.188 304 G CA 0.418 45.544 45.100 0.043 0.000 0.783 304 G HN 0.230 nan 8.290 nan 0.000 0.537 305 L N 0.320 121.583 121.223 0.068 0.000 2.046 305 L HA -0.098 4.241 4.340 -0.000 0.000 0.208 305 L C 3.047 179.977 176.870 0.100 0.000 1.077 305 L CA 0.442 55.334 54.840 0.087 0.000 0.747 305 L CB -0.490 41.635 42.059 0.110 0.000 0.896 305 L HN 0.092 nan 8.230 nan 0.000 0.432 306 V N -0.244 119.732 119.914 0.105 0.000 2.231 306 V HA -0.405 3.715 4.120 -0.000 0.000 0.248 306 V C 2.471 178.585 176.094 0.032 0.000 1.054 306 V CA 2.318 64.649 62.300 0.052 0.000 1.015 306 V CB -0.682 31.183 31.823 0.070 0.000 0.638 306 V HN 0.554 nan 8.190 nan 0.000 0.444 307 Q N -0.624 119.211 119.800 0.059 0.000 2.135 307 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 307 Q C 2.211 178.259 176.000 0.079 0.000 0.981 307 Q CA 2.021 57.862 55.803 0.063 0.000 0.856 307 Q CB -0.228 28.545 28.738 0.058 0.000 0.902 307 Q HN 0.580 nan 8.270 nan 0.000 0.425 308 L N 0.476 121.748 121.223 0.081 0.000 2.042 308 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 308 L C 2.118 179.040 176.870 0.086 0.000 1.076 308 L CA 2.309 57.213 54.840 0.107 0.000 0.749 308 L CB -0.887 41.223 42.059 0.085 0.000 0.893 308 L HN 0.232 nan 8.230 nan 0.000 0.432 309 A N -0.683 122.161 122.820 0.040 0.000 1.873 309 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 309 A C 2.120 179.682 177.584 -0.036 0.000 1.186 309 A CA 1.527 53.560 52.037 -0.007 0.000 0.616 309 A CB -0.673 18.297 19.000 -0.050 0.000 0.823 309 A HN 0.600 nan 8.150 nan 0.000 0.442 310 E N -1.120 119.058 120.200 -0.036 0.000 2.097 310 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 310 E C 1.963 178.600 176.600 0.061 0.000 1.000 310 E CA 1.412 57.799 56.400 -0.022 0.000 0.804 310 E CB -0.421 29.294 29.700 0.025 0.000 0.740 310 E HN 0.897 nan 8.360 nan 0.000 0.454 311 H N 0.524 119.590 119.070 -0.006 0.000 2.326 311 H HA -0.061 4.495 4.556 -0.000 0.000 0.301 311 H C 1.727 177.061 175.328 0.010 0.000 1.081 311 H CA 0.938 56.991 56.048 0.008 0.000 1.334 311 H CB 0.408 30.181 29.762 0.018 0.000 1.385 311 H HN 0.023 nan 8.280 nan 0.000 0.504 312 E N 0.322 120.409 120.200 -0.188 0.000 2.274 312 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 312 E C 1.192 177.734 176.600 -0.098 0.000 0.996 312 E CA 0.788 57.049 56.400 -0.232 0.000 0.840 312 E CB -0.110 29.513 29.700 -0.129 0.000 0.772 312 E HN 0.754 nan 8.360 nan 0.000 0.491 313 G N 1.883 110.647 108.800 -0.060 0.000 2.256 313 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.272 313 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.272 313 G C 0.030 174.938 174.900 0.012 0.000 1.076 313 G CA 0.681 45.755 45.100 -0.043 0.000 0.882 313 G HN 0.166 nan 8.290 nan 0.000 0.497 314 T N 0.290 114.848 114.554 0.006 0.000 2.855 314 T HA 0.617 4.966 4.350 -0.000 0.000 0.281 314 T C -0.004 174.754 174.700 0.097 0.000 1.007 314 T CA -0.444 61.735 62.100 0.133 0.000 1.009 314 T CB 1.115 70.050 68.868 0.111 0.000 0.983 314 T HN 0.202 nan 8.240 nan 0.000 0.455 315 F N 3.438 123.405 119.950 0.029 0.000 2.443 315 F HA 0.538 5.065 4.527 -0.000 0.000 0.353 315 F C 0.733 176.543 175.800 0.016 0.000 1.101 315 F CA -1.109 56.902 58.000 0.018 0.000 1.226 315 F CB 0.197 39.237 39.000 0.066 0.000 1.140 315 F HN 0.403 nan 8.300 nan 0.000 0.557 316 I N 0.275 120.869 120.570 0.041 0.000 2.994 316 I HA 1.016 5.186 4.170 -0.000 0.000 0.306 316 I C -0.944 175.025 176.117 -0.247 0.000 1.195 316 I CA -0.987 60.263 61.300 -0.083 0.000 1.001 316 I CB 2.340 40.165 38.000 -0.290 0.000 1.244 316 I HN 0.681 nan 8.210 nan 0.000 0.437 317 A N 2.240 124.856 122.820 -0.339 0.000 2.481 317 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 317 A C -0.301 177.319 177.584 0.060 0.000 0.986 317 A CA 0.054 51.962 52.037 -0.215 0.000 0.617 317 A CB 0.200 19.193 19.000 -0.011 0.000 1.364 317 A HN 2.447 nan 8.150 nan 0.000 0.452 318 G N -0.473 108.415 108.800 0.146 0.000 2.217 318 G HA2 0.526 4.486 3.960 -0.000 0.000 0.126 318 G HA3 0.526 4.486 3.960 -0.000 0.000 0.126 318 G C -1.050 174.003 174.900 0.255 0.000 1.293 318 G CA 1.071 46.325 45.100 0.257 0.000 1.219 318 G HN 2.270 nan 8.290 nan 0.000 0.477 319 D N 0.684 121.238 120.400 0.257 0.000 4.260 319 D HA 0.346 4.986 4.640 -0.000 0.000 0.245 319 D C -0.392 175.985 176.300 0.127 0.000 1.060 319 D CA 2.102 56.207 54.000 0.175 0.000 1.146 319 D CB -0.743 40.182 40.800 0.208 0.000 0.837 319 D HN 1.211 nan 8.370 nan 0.000 0.390 320 D N -0.411 120.048 120.400 0.097 0.000 10.695 320 D HA -0.193 4.447 4.640 -0.000 0.000 0.330 320 D C -1.057 175.304 176.300 0.102 0.000 3.085 320 D CA 0.072 54.127 54.000 0.091 0.000 2.708 320 D CB 0.095 40.947 40.800 0.086 0.000 1.181 320 D HN 0.309 nan 8.370 nan 0.000 0.923 321 L N 3.064 124.344 121.223 0.096 0.000 2.276 321 L HA 0.335 4.675 4.340 -0.000 0.000 0.286 321 L C 0.586 177.504 176.870 0.081 0.000 1.061 321 L CA -0.133 54.768 54.840 0.102 0.000 0.807 321 L CB 0.948 43.063 42.059 0.093 0.000 1.177 321 L HN 0.364 nan 8.230 nan 0.000 0.429 322 K N 3.447 123.893 120.400 0.078 0.000 2.382 322 K HA 0.154 4.474 4.320 -0.000 0.000 0.286 322 K C 0.282 176.895 176.600 0.023 0.000 1.062 322 K CA -0.075 56.227 56.287 0.024 0.000 1.000 322 K CB 0.339 32.813 32.500 -0.044 0.000 0.954 322 K HN 0.824 nan 8.250 nan 0.000 0.470 323 S N 2.873 118.585 115.700 0.019 0.000 2.626 323 S HA 0.161 4.630 4.470 -0.000 0.000 0.257 323 S C 1.393 175.995 174.600 0.003 0.000 1.288 323 S CA -0.285 57.928 58.200 0.021 0.000 0.980 323 S CB 1.176 64.390 63.200 0.023 0.000 0.975 323 S HN 0.680 nan 8.310 nan 0.000 0.577 324 G N -0.199 108.607 108.800 0.009 0.000 2.394 324 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 324 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 324 G C 1.409 176.309 174.900 -0.000 0.000 1.165 324 G CA 0.851 45.952 45.100 0.003 0.000 0.784 324 G HN 0.690 nan 8.290 nan 0.000 0.535 325 Q N 0.946 120.751 119.800 0.008 0.000 2.079 325 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 325 Q C 2.700 178.718 176.000 0.030 0.000 0.974 325 Q CA 2.264 58.081 55.803 0.023 0.000 0.840 325 Q CB -0.737 28.016 28.738 0.025 0.000 0.898 325 Q HN 0.509 nan 8.270 nan 0.000 0.430 326 T N -1.826 112.738 114.554 0.017 0.000 2.849 326 T HA -0.149 4.200 4.350 -0.000 0.000 0.270 326 T C 1.531 176.229 174.700 -0.004 0.000 1.066 326 T CA 1.427 63.536 62.100 0.015 0.000 1.130 326 T CB -0.158 68.713 68.868 0.005 0.000 0.864 326 T HN 0.277 nan 8.240 nan 0.000 0.481 327 K N 0.750 121.131 120.400 -0.030 0.000 2.031 327 K HA 0.229 4.549 4.320 -0.000 0.000 0.205 327 K C 2.331 178.916 176.600 -0.026 0.000 1.049 327 K CA 0.875 57.121 56.287 -0.067 0.000 0.939 327 K CB -0.367 32.069 32.500 -0.106 0.000 0.717 327 K HN 0.274 nan 8.250 nan 0.000 0.438 328 L N 1.436 122.660 121.223 0.003 0.000 2.127 328 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 328 L C 2.379 179.283 176.870 0.057 0.000 1.089 328 L CA 1.252 56.104 54.840 0.021 0.000 0.757 328 L CB -0.340 41.745 42.059 0.043 0.000 0.899 328 L HN 0.183 nan 8.230 nan 0.000 0.434 329 K N -0.580 119.885 120.400 0.108 0.000 1.985 329 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 329 K C 2.304 178.966 176.600 0.104 0.000 1.047 329 K CA 1.759 58.164 56.287 0.197 0.000 0.932 329 K CB -0.531 32.071 32.500 0.170 0.000 0.716 329 K HN 0.148 nan 8.250 nan 0.000 0.439 330 S N 0.781 116.509 115.700 0.047 0.000 2.420 330 S HA -0.115 4.355 4.470 -0.000 0.000 0.237 330 S C 1.977 176.586 174.600 0.015 0.000 1.023 330 S CA 1.185 59.396 58.200 0.017 0.000 0.991 330 S CB -0.098 63.089 63.200 -0.022 0.000 0.792 330 S HN 0.095 nan 8.310 nan 0.000 0.488 331 V N 1.142 121.059 119.914 0.006 0.000 2.331 331 V HA 0.019 4.138 4.120 -0.000 0.000 0.242 331 V C 2.338 178.444 176.094 0.021 0.000 1.034 331 V CA 1.480 63.783 62.300 0.005 0.000 1.027 331 V CB -0.685 31.124 31.823 -0.023 0.000 0.667 331 V HN 0.429 nan 8.190 nan 0.000 0.457 332 L N 0.112 121.310 121.223 -0.042 0.000 1.994 332 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 332 L C 2.700 179.537 176.870 -0.055 0.000 1.071 332 L CA 1.851 56.627 54.840 -0.107 0.000 0.745 332 L CB -0.577 41.236 42.059 -0.410 0.000 0.892 332 L HN 0.369 nan 8.230 nan 0.000 0.431 333 A N -1.058 121.716 122.820 -0.077 0.000 1.873 333 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 333 A C 2.164 179.769 177.584 0.035 0.000 1.193 333 A CA 1.833 53.880 52.037 0.015 0.000 0.629 333 A CB -0.663 18.394 19.000 0.095 0.000 0.826 333 A HN 0.500 nan 8.150 nan 0.000 0.447 334 Q N -1.586 118.242 119.800 0.046 0.000 2.084 334 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 334 Q C 1.919 177.954 176.000 0.059 0.000 0.978 334 Q CA 1.648 57.478 55.803 0.046 0.000 0.844 334 Q CB -0.583 28.184 28.738 0.048 0.000 0.898 334 Q HN 0.746 nan 8.270 nan 0.000 0.426 335 F N 1.271 121.194 119.950 -0.046 0.000 2.065 335 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 335 F C 1.977 177.755 175.800 -0.037 0.000 1.112 335 F CA 1.432 59.405 58.000 -0.045 0.000 1.212 335 F CB -0.590 38.369 39.000 -0.068 0.000 0.975 335 F HN -0.011 nan 8.300 nan 0.000 0.476 336 L N -0.247 120.801 121.223 -0.292 0.000 1.955 336 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 336 L C 2.449 179.173 176.870 -0.242 0.000 1.072 336 L CA 1.636 56.260 54.840 -0.360 0.000 0.755 336 L CB -1.287 40.711 42.059 -0.102 0.000 0.888 336 L HN 0.036 nan 8.230 nan 0.000 0.432 337 V N -0.094 119.768 119.914 -0.087 0.000 2.453 337 V HA -0.318 3.801 4.120 -0.000 0.000 0.252 337 V C 1.859 177.914 176.094 -0.066 0.000 1.068 337 V CA 2.072 64.360 62.300 -0.021 0.000 1.070 337 V CB -0.681 31.180 31.823 0.063 0.000 0.664 337 V HN 0.434 nan 8.190 nan 0.000 0.461 338 D N -0.078 120.261 120.400 -0.103 0.000 2.312 338 D HA 0.019 4.659 4.640 -0.000 0.000 0.211 338 D C 1.846 178.058 176.300 -0.147 0.000 0.964 338 D CA 1.086 55.030 54.000 -0.094 0.000 0.877 338 D CB -0.081 40.683 40.800 -0.061 0.000 0.924 338 D HN 0.472 nan 8.370 nan 0.000 0.515 339 A N -0.922 121.745 122.820 -0.255 0.000 2.308 339 A HA 0.514 4.833 4.320 -0.000 0.000 0.217 339 A C 1.760 179.238 177.584 -0.176 0.000 1.216 339 A CA 0.716 52.592 52.037 -0.268 0.000 0.864 339 A CB -0.095 18.609 19.000 -0.493 0.000 0.902 339 A HN 0.204 nan 8.150 nan 0.000 0.499 340 G N -0.685 108.034 108.800 -0.135 0.000 2.176 340 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 340 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 340 G C 0.120 174.956 174.900 -0.108 0.000 0.979 340 G CA 0.221 45.261 45.100 -0.100 0.000 0.641 340 G HN 0.456 nan 8.290 nan 0.000 0.530 341 I N 0.970 121.463 120.570 -0.127 0.000 2.395 341 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 341 I C 0.738 176.813 176.117 -0.069 0.000 1.023 341 I CA -0.329 60.905 61.300 -0.109 0.000 1.350 341 I CB 1.452 39.377 38.000 -0.124 0.000 1.409 341 I HN 0.034 nan 8.210 nan 0.000 0.507 342 K N 8.691 129.037 120.400 -0.090 0.000 2.300 342 K HA 0.394 4.714 4.320 -0.000 0.000 0.264 342 K C -2.567 174.046 176.600 0.020 0.000 1.083 342 K CA -1.636 54.591 56.287 -0.100 0.000 0.958 342 K CB 0.808 33.121 32.500 -0.312 0.000 1.318 342 K HN 0.188 nan 8.250 nan 0.000 0.448 343 P HA -0.078 nan 4.420 nan 0.000 0.269 343 P C 0.157 177.603 177.300 0.243 0.000 1.215 343 P CA -0.276 62.943 63.100 0.198 0.000 0.780 343 P CB 1.048 32.898 31.700 0.250 0.000 0.898 344 V N -1.584 118.459 119.914 0.215 0.000 3.380 344 V HA 0.331 4.451 4.120 -0.000 0.000 0.277 344 V C 0.183 176.419 176.094 0.238 0.000 1.590 344 V CA 0.281 62.719 62.300 0.231 0.000 1.019 344 V CB 0.372 32.314 31.823 0.198 0.000 0.828 344 V HN 0.478 nan 8.190 nan 0.000 0.427 345 S N 0.572 116.427 115.700 0.258 0.000 2.736 345 S HA 0.789 5.259 4.470 -0.000 0.000 0.285 345 S C -1.144 173.546 174.600 0.150 0.000 1.163 345 S CA -0.425 57.902 58.200 0.212 0.000 1.025 345 S CB 1.236 64.583 63.200 0.246 0.000 1.030 345 S HN 0.383 nan 8.310 nan 0.000 0.486 346 I N 4.049 124.660 120.570 0.068 0.000 2.448 346 I HA 0.570 4.740 4.170 -0.000 0.000 0.281 346 I C -0.198 175.850 176.117 -0.115 0.000 1.027 346 I CA -0.668 60.578 61.300 -0.091 0.000 1.111 346 I CB 1.619 39.591 38.000 -0.046 0.000 1.236 346 I HN 0.706 nan 8.210 nan 0.000 0.452 347 A N 4.481 127.203 122.820 -0.164 0.000 2.311 347 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 347 A C -0.496 176.904 177.584 -0.307 0.000 1.189 347 A CA -0.406 51.510 52.037 -0.203 0.000 0.791 347 A CB 1.104 20.130 19.000 0.044 0.000 1.172 347 A HN 0.552 nan 8.150 nan 0.000 0.481 348 S N 1.162 116.560 115.700 -0.502 0.000 2.472 348 S HA 0.718 5.188 4.470 -0.000 0.000 0.303 348 S C -1.427 172.818 174.600 -0.592 0.000 1.099 348 S CA -0.169 57.823 58.200 -0.346 0.000 1.077 348 S CB 0.636 63.732 63.200 -0.175 0.000 1.031 348 S HN 0.509 nan 8.310 nan 0.000 0.487 349 Y N 1.343 121.664 120.300 0.036 0.000 2.329 349 Y HA 0.430 4.980 4.550 -0.000 0.000 0.328 349 Y C 0.200 176.165 175.900 0.108 0.000 0.992 349 Y CA -0.806 57.333 58.100 0.065 0.000 1.151 349 Y CB 1.124 39.620 38.460 0.060 0.000 1.150 349 Y HN 0.615 nan 8.280 nan 0.000 0.450 350 N N 2.935 121.768 118.700 0.222 0.000 2.402 350 N HA 0.582 5.321 4.740 -0.000 0.000 0.294 350 N C -1.687 173.990 175.510 0.278 0.000 1.203 350 N CA -1.061 52.103 53.050 0.190 0.000 0.838 350 N CB 2.085 40.627 38.487 0.093 0.000 1.306 350 N HN 0.709 nan 8.380 nan 0.000 0.510 351 H N -0.407 118.707 119.070 0.074 0.000 3.156 351 H HA 0.322 4.877 4.556 -0.000 0.000 0.319 351 H C -2.042 173.314 175.328 0.048 0.000 1.067 351 H CA -0.788 55.303 56.048 0.072 0.000 1.417 351 H CB -0.015 29.783 29.762 0.059 0.000 2.050 351 H HN 0.464 nan 8.280 nan 0.000 0.473 352 L N 1.115 122.361 121.223 0.040 0.000 2.218 352 L HA 0.924 5.264 4.340 -0.000 0.000 0.243 352 L C 0.829 177.729 176.870 0.050 0.000 1.132 352 L CA -0.408 54.422 54.840 -0.018 0.000 1.052 352 L CB 0.621 42.682 42.059 0.003 0.000 1.599 352 L HN 0.833 nan 8.230 nan 0.000 0.468 353 G N -0.596 108.236 108.800 0.054 0.000 4.773 353 G HA2 0.249 4.209 3.960 -0.000 0.000 0.269 353 G HA3 0.249 4.209 3.960 -0.000 0.000 0.269 353 G C -0.325 174.700 174.900 0.208 0.000 0.992 353 G CA -0.314 44.836 45.100 0.083 0.000 0.775 353 G HN 0.415 nan 8.290 nan 0.000 0.471 354 N N 0.362 119.177 118.700 0.191 0.000 2.317 354 N HA 0.006 4.746 4.740 -0.000 0.000 0.245 354 N C 1.196 176.798 175.510 0.154 0.000 1.294 354 N CA -0.262 52.864 53.050 0.127 0.000 0.924 354 N CB 0.607 39.139 38.487 0.076 0.000 1.186 354 N HN 0.135 nan 8.380 nan 0.000 0.495 355 N N 0.513 119.265 118.700 0.087 0.000 2.309 355 N HA -0.180 4.560 4.740 -0.000 0.000 0.182 355 N C 0.927 176.470 175.510 0.054 0.000 1.018 355 N CA 1.147 54.243 53.050 0.077 0.000 0.876 355 N CB -0.057 38.451 38.487 0.034 0.000 0.972 355 N HN 0.531 nan 8.380 nan 0.000 0.434 356 D N -1.191 119.235 120.400 0.042 0.000 2.269 356 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 356 D C 1.854 178.169 176.300 0.025 0.000 0.963 356 D CA 1.043 55.059 54.000 0.027 0.000 0.864 356 D CB -0.509 40.310 40.800 0.031 0.000 0.936 356 D HN 0.361 nan 8.370 nan 0.000 0.505 357 G N -1.100 107.733 108.800 0.055 0.000 2.471 357 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 357 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 357 G C 1.391 176.075 174.900 -0.359 0.000 1.125 357 G CA 0.338 45.470 45.100 0.052 0.000 0.775 357 G HN 0.451 nan 8.290 nan 0.000 0.548 358 Y N 0.427 120.375 120.300 -0.587 0.000 2.490 358 Y HA 0.040 4.589 4.550 -0.000 0.000 0.285 358 Y C 2.617 178.340 175.900 -0.295 0.000 1.117 358 Y CA 0.386 58.083 58.100 -0.673 0.000 1.262 358 Y CB 0.306 38.495 38.460 -0.451 0.000 1.043 358 Y HN 0.277 nan 8.280 nan 0.000 0.553 359 N N 0.938 119.583 118.700 -0.090 0.000 2.354 359 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 359 N C 1.231 176.710 175.510 -0.051 0.000 1.021 359 N CA 0.842 53.837 53.050 -0.091 0.000 0.887 359 N CB -0.149 38.317 38.487 -0.036 0.000 0.974 359 N HN 0.427 nan 8.380 nan 0.000 0.437 360 L N 0.172 121.380 121.223 -0.026 0.000 2.591 360 L HA 0.144 4.484 4.340 -0.000 0.000 0.228 360 L C 1.867 178.749 176.870 0.020 0.000 1.133 360 L CA 0.096 54.943 54.840 0.012 0.000 0.880 360 L CB -0.002 42.082 42.059 0.041 0.000 1.033 360 L HN 0.074 nan 8.230 nan 0.000 0.450 361 S N 0.088 115.784 115.700 -0.007 0.000 2.577 361 S HA 0.300 4.770 4.470 -0.000 0.000 0.219 361 S C 0.750 175.365 174.600 0.025 0.000 0.962 361 S CA -0.066 58.157 58.200 0.039 0.000 0.921 361 S CB 0.112 63.350 63.200 0.063 0.000 0.789 361 S HN 0.292 nan 8.310 nan 0.000 0.497 362 A N 3.408 126.216 122.820 -0.019 0.000 2.536 362 A HA 0.604 4.924 4.320 -0.000 0.000 0.329 362 A C -2.508 175.073 177.584 -0.004 0.000 1.321 362 A CA -1.461 50.558 52.037 -0.029 0.000 0.804 362 A CB 0.476 19.422 19.000 -0.090 0.000 1.126 362 A HN 0.421 nan 8.150 nan 0.000 0.480 363 P HA 0.231 nan 4.420 nan 0.000 0.272 363 P C -0.025 177.286 177.300 0.019 0.000 1.223 363 P CA -0.122 62.993 63.100 0.025 0.000 0.784 363 P CB 1.160 32.879 31.700 0.032 0.000 0.923 376 V N 1.569 121.453 119.914 -0.051 0.000 2.261 376 V HA -0.166 3.953 4.120 -0.000 0.000 0.246 376 V C 2.049 178.095 176.094 -0.079 0.000 1.047 376 V CA 2.218 64.490 62.300 -0.046 0.000 1.015 376 V CB -0.901 30.910 31.823 -0.020 0.000 0.642 376 V HN 0.796 nan 8.190 nan 0.000 0.446 377 I N 0.290 120.789 120.570 -0.119 0.000 2.399 377 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 377 I C 2.221 178.206 176.117 -0.220 0.000 1.146 377 I CA 1.554 62.748 61.300 -0.177 0.000 1.412 377 I CB -0.580 37.252 38.000 -0.281 0.000 1.076 377 I HN 0.407 nan 8.210 nan 0.000 0.432 378 D N 0.932 121.215 120.400 -0.195 0.000 2.103 378 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 378 D C 1.655 177.877 176.300 -0.129 0.000 0.978 378 D CA 1.277 55.175 54.000 -0.169 0.000 0.829 378 D CB -0.273 40.446 40.800 -0.135 0.000 0.981 378 D HN 0.393 nan 8.370 nan 0.000 0.464 379 D N 0.803 121.148 120.400 -0.091 0.000 2.218 379 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 379 D C 2.280 178.548 176.300 -0.054 0.000 0.976 379 D CA 0.400 54.371 54.000 -0.049 0.000 0.853 379 D CB 0.049 40.837 40.800 -0.020 0.000 0.939 379 D HN 0.327 nan 8.370 nan 0.000 0.481 380 I N 0.679 121.195 120.570 -0.089 0.000 2.439 380 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 380 I C 2.382 178.403 176.117 -0.160 0.000 1.139 380 I CA 0.544 61.791 61.300 -0.089 0.000 1.438 380 I CB -0.058 37.892 38.000 -0.084 0.000 1.085 380 I HN -0.084 nan 8.210 nan 0.000 0.427 381 I N 0.980 121.369 120.570 -0.302 0.000 2.353 381 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 381 I C 2.683 178.715 176.117 -0.142 0.000 1.119 381 I CA 1.130 62.138 61.300 -0.488 0.000 1.417 381 I CB -0.354 37.325 38.000 -0.536 0.000 1.078 381 I HN 0.143 nan 8.210 nan 0.000 0.421 382 A N 0.551 123.327 122.820 -0.073 0.000 2.067 382 A HA -0.113 4.206 4.320 -0.000 0.000 0.217 382 A C 2.442 180.049 177.584 0.039 0.000 1.156 382 A CA 1.400 53.442 52.037 0.007 0.000 0.683 382 A CB -0.497 18.514 19.000 0.018 0.000 0.808 382 A HN 0.496 nan 8.150 nan 0.000 0.455 383 S N -0.205 115.510 115.700 0.025 0.000 2.406 383 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 383 S C 0.833 175.465 174.600 0.055 0.000 1.020 383 S CA 0.786 59.007 58.200 0.035 0.000 0.965 383 S CB -0.255 62.958 63.200 0.021 0.000 0.798 383 S HN 0.457 nan 8.310 nan 0.000 0.488 384 N N 2.016 120.775 118.700 0.099 0.000 2.626 384 N HA 0.131 4.871 4.740 -0.000 0.000 0.242 384 N C -0.655 174.963 175.510 0.181 0.000 1.005 384 N CA -0.082 53.045 53.050 0.129 0.000 0.905 384 N CB 1.313 39.892 38.487 0.154 0.000 1.128 384 N HN 0.449 nan 8.380 nan 0.000 0.512 385 D N 3.041 123.516 120.400 0.126 0.000 2.349 385 D HA -0.015 4.624 4.640 -0.000 0.000 0.224 385 D C 1.464 177.814 176.300 0.083 0.000 1.029 385 D CA 0.027 54.102 54.000 0.124 0.000 0.879 385 D CB 0.489 41.355 40.800 0.111 0.000 0.906 385 D HN 0.512 nan 8.370 nan 0.000 0.528 386 I N -0.039 120.565 120.570 0.056 0.000 2.400 386 I HA -0.113 4.056 4.170 -0.000 0.000 0.248 386 I C 2.339 178.425 176.117 -0.051 0.000 1.109 386 I CA 0.538 61.843 61.300 0.008 0.000 1.425 386 I CB 0.019 38.018 38.000 -0.002 0.000 1.094 386 I HN -0.059 nan 8.210 nan 0.000 0.425 387 L N -0.764 120.396 121.223 -0.104 0.000 2.253 387 L HA 0.016 4.355 4.340 -0.000 0.000 0.205 387 L C 0.076 176.657 176.870 -0.482 0.000 1.078 387 L CA 0.519 55.152 54.840 -0.344 0.000 0.805 387 L CB -0.118 41.627 42.059 -0.523 0.000 0.963 387 L HN 0.123 nan 8.230 nan 0.000 0.459 388 Y N 1.612 121.919 120.300 0.012 0.000 2.478 388 Y HA 0.364 4.914 4.550 -0.000 0.000 0.329 388 Y C 0.063 175.976 175.900 0.021 0.000 0.967 388 Y CA -0.931 57.180 58.100 0.017 0.000 1.255 388 Y CB 0.311 38.781 38.460 0.017 0.000 1.103 388 Y HN 0.148 nan 8.280 nan 0.000 0.497 389 N N -0.456 118.312 118.700 0.114 0.000 2.972 389 N HA 0.240 4.979 4.740 -0.000 0.000 0.262 389 N C -1.265 174.282 175.510 0.063 0.000 1.478 389 N CA -1.021 52.078 53.050 0.083 0.000 0.841 389 N CB 1.355 39.875 38.487 0.055 0.000 1.512 389 N HN 0.183 nan 8.380 nan 0.000 0.548 390 D N 0.110 120.540 120.400 0.049 0.000 2.826 390 D HA 0.034 4.674 4.640 -0.000 0.000 0.247 390 D C 0.236 176.554 176.300 0.029 0.000 1.238 390 D CA 0.815 54.839 54.000 0.040 0.000 0.894 390 D CB 0.126 40.946 40.800 0.033 0.000 1.100 390 D HN 0.512 nan 8.370 nan 0.000 0.453 391 K N -0.437 119.979 120.400 0.026 0.000 2.614 391 K HA 0.085 4.405 4.320 -0.000 0.000 0.183 391 K C 1.007 177.612 176.600 0.009 0.000 1.792 391 K CA -0.035 56.261 56.287 0.016 0.000 1.211 391 K CB 0.568 33.074 32.500 0.010 0.000 1.735 391 K HN 0.003 nan 8.250 nan 0.000 0.587 392 L N 0.266 121.491 121.223 0.004 0.000 2.781 392 L HA 0.446 4.785 4.340 -0.000 0.000 0.245 392 L C 0.199 177.069 176.870 -0.000 0.000 1.118 392 L CA 0.208 55.040 54.840 -0.014 0.000 0.918 392 L CB 1.771 43.798 42.059 -0.053 0.000 1.246 392 L HN 0.286 nan 8.230 nan 0.000 0.526 393 G N 1.277 110.098 108.800 0.034 0.000 2.957 393 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.636 393 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.636 393 G C -0.554 174.441 174.900 0.158 0.000 1.401 393 G CA -0.615 44.533 45.100 0.080 0.000 0.941 393 G HN 0.008 nan 8.290 nan 0.000 0.610 394 K N 0.303 120.806 120.400 0.171 0.000 2.478 394 K HA 0.244 4.564 4.320 -0.000 0.000 0.205 394 K C 0.394 177.090 176.600 0.159 0.000 1.033 394 K CA -0.258 56.156 56.287 0.211 0.000 1.091 394 K CB 0.039 32.615 32.500 0.127 0.000 0.844 394 K HN 0.311 nan 8.250 nan 0.000 0.507 395 K N 0.460 120.965 120.400 0.174 0.000 2.295 395 K HA 0.452 4.772 4.320 -0.000 0.000 0.239 395 K C -0.872 175.822 176.600 0.157 0.000 0.991 395 K CA -0.955 55.405 56.287 0.122 0.000 0.845 395 K CB 2.371 34.936 32.500 0.108 0.000 1.197 395 K HN -0.209 nan 8.250 nan 0.000 0.441 396 V N 2.000 121.986 119.914 0.120 0.000 2.568 396 V HA 0.058 4.178 4.120 -0.000 0.000 0.276 396 V C -1.299 174.923 176.094 0.213 0.000 1.002 396 V CA -1.095 61.292 62.300 0.145 0.000 0.879 396 V CB 1.399 33.250 31.823 0.046 0.000 1.040 396 V HN 0.599 nan 8.190 nan 0.000 0.457 397 D N 5.267 125.780 120.400 0.188 0.000 2.479 397 D HA 0.138 4.778 4.640 -0.000 0.000 0.257 397 D C 0.300 176.707 176.300 0.179 0.000 1.230 397 D CA 0.884 54.979 54.000 0.159 0.000 0.912 397 D CB 0.082 40.937 40.800 0.092 0.000 1.130 397 D HN 0.738 nan 8.370 nan 0.000 0.515 398 H N 0.426 119.490 119.070 -0.011 0.000 2.689 398 H HA 0.577 5.133 4.556 -0.000 0.000 0.346 398 H C -0.649 174.639 175.328 -0.066 0.000 1.037 398 H CA -1.264 54.757 56.048 -0.044 0.000 1.234 398 H CB 0.359 30.099 29.762 -0.037 0.000 1.572 398 H HN 0.399 nan 8.280 nan 0.000 0.524 399 C N 3.175 122.381 119.300 -0.156 0.000 2.698 399 C HA 0.824 5.284 4.460 -0.000 0.000 0.309 399 C C -0.580 174.255 174.990 -0.259 0.000 1.186 399 C CA -0.875 58.010 59.018 -0.221 0.000 1.474 399 C CB 0.107 27.734 27.740 -0.188 0.000 2.020 399 C HN 0.829 nan 8.230 nan 0.000 0.474 400 I N 3.118 123.567 120.570 -0.202 0.000 2.447 400 I HA 0.534 4.704 4.170 -0.000 0.000 0.287 400 I C -0.760 175.273 176.117 -0.140 0.000 1.023 400 I CA -0.551 60.635 61.300 -0.191 0.000 1.083 400 I CB 2.009 39.961 38.000 -0.080 0.000 1.245 400 I HN 0.576 nan 8.210 nan 0.000 0.434 401 V N 7.508 127.327 119.914 -0.158 0.000 2.376 401 V HA 0.449 4.569 4.120 -0.000 0.000 0.287 401 V C -0.075 176.070 176.094 0.085 0.000 1.015 401 V CA -0.372 61.929 62.300 0.002 0.000 0.834 401 V CB 1.780 33.670 31.823 0.112 0.000 1.001 401 V HN 0.496 nan 8.190 nan 0.000 0.428 402 I N 5.562 126.187 120.570 0.092 0.000 2.371 402 I HA 0.425 4.595 4.170 -0.000 0.000 0.282 402 I C 0.324 176.536 176.117 0.159 0.000 1.031 402 I CA -0.508 60.870 61.300 0.130 0.000 1.180 402 I CB 1.024 39.085 38.000 0.103 0.000 1.336 402 I HN 0.447 nan 8.210 nan 0.000 0.467 403 K N 4.281 124.800 120.400 0.199 0.000 2.179 403 K HA 0.427 4.747 4.320 -0.000 0.000 0.238 403 K C -0.818 175.952 176.600 0.283 0.000 1.033 403 K CA -0.455 55.951 56.287 0.200 0.000 0.926 403 K CB 1.589 34.165 32.500 0.126 0.000 1.151 403 K HN 0.320 nan 8.250 nan 0.000 0.492 407 P HA 0.086 nan 4.420 nan 0.000 0.261 407 P C -0.022 177.240 177.300 -0.063 0.000 1.650 407 P CA 0.515 63.558 63.100 -0.095 0.000 0.846 407 P CB 0.398 32.050 31.700 -0.081 0.000 1.758 408 V N -2.254 117.619 119.914 -0.068 0.000 3.400 408 V HA 0.269 4.389 4.120 -0.000 0.000 0.281 408 V C 1.296 177.363 176.094 -0.045 0.000 1.617 408 V CA 0.306 62.579 62.300 -0.045 0.000 1.044 408 V CB 0.102 31.899 31.823 -0.042 0.000 0.858 408 V HN 0.493 nan 8.190 nan 0.000 0.425 409 G N 1.610 110.382 108.800 -0.046 0.000 2.575 409 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 409 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 409 G C 0.596 175.484 174.900 -0.020 0.000 1.264 409 G CA 0.537 45.620 45.100 -0.028 0.000 0.935 409 G HN 0.378 nan 8.290 nan 0.000 0.568 410 D N 0.412 120.803 120.400 -0.014 0.000 2.371 410 D HA -0.010 4.630 4.640 -0.000 0.000 0.221 410 D C 1.294 177.580 176.300 -0.023 0.000 0.986 410 D CA 1.173 55.166 54.000 -0.011 0.000 0.899 410 D CB -0.232 40.561 40.800 -0.011 0.000 0.902 410 D HN 0.443 nan 8.370 nan 0.000 0.530 411 S N 0.712 116.391 115.700 -0.034 0.000 2.430 411 S HA 0.081 4.551 4.470 -0.000 0.000 0.282 411 S C -0.131 174.415 174.600 -0.091 0.000 1.186 411 S CA -0.445 57.725 58.200 -0.050 0.000 1.060 411 S CB 0.464 63.639 63.200 -0.042 0.000 0.966 411 S HN 0.146 nan 8.310 nan 0.000 0.501 412 K N 4.058 124.397 120.400 -0.101 0.000 2.110 412 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 412 K C -1.279 175.190 176.600 -0.218 0.000 0.975 412 K CA -0.714 55.475 56.287 -0.165 0.000 0.895 412 K CB 1.069 33.510 32.500 -0.098 0.000 1.060 412 K HN 0.444 nan 8.250 nan 0.000 0.448 413 V N 3.282 122.968 119.914 -0.379 0.000 2.378 413 V HA 0.526 4.646 4.120 -0.000 0.000 0.288 413 V C -0.243 175.748 176.094 -0.173 0.000 1.016 413 V CA -0.700 61.414 62.300 -0.310 0.000 0.840 413 V CB 0.863 32.516 31.823 -0.284 0.000 0.994 413 V HN 0.964 nan 8.190 nan 0.000 0.431 417 E N 1.166 121.329 120.200 -0.062 0.000 2.325 417 E HA 0.350 4.700 4.350 -0.000 0.000 0.248 417 E C -1.682 174.894 176.600 -0.041 0.000 0.912 417 E CA -0.534 55.889 56.400 0.039 0.000 0.782 417 E CB 0.395 30.161 29.700 0.109 0.000 1.264 417 E HN 0.313 nan 8.360 nan 0.000 0.417 418 Y N 3.189 123.589 120.300 0.167 0.000 2.350 418 Y HA 0.332 4.882 4.550 -0.000 0.000 0.340 418 Y C -0.717 175.323 175.900 0.233 0.000 1.006 418 Y CA -0.660 57.546 58.100 0.177 0.000 1.166 418 Y CB 0.778 39.325 38.460 0.145 0.000 1.168 418 Y HN 0.455 nan 8.280 nan 0.000 0.502 419 Y N 2.725 123.148 120.300 0.205 0.000 2.345 419 Y HA 0.575 5.124 4.550 -0.000 0.000 0.331 419 Y C -0.604 175.402 175.900 0.176 0.000 0.959 419 Y CA -0.905 57.287 58.100 0.153 0.000 1.204 419 Y CB 0.921 39.431 38.460 0.083 0.000 1.135 419 Y HN 0.556 nan 8.280 nan 0.000 0.477 420 S N 4.297 119.895 115.700 -0.170 0.000 2.566 420 S HA 0.463 4.933 4.470 -0.000 0.000 0.298 420 S C -1.132 173.350 174.600 -0.197 0.000 1.083 420 S CA -1.101 57.029 58.200 -0.115 0.000 0.978 420 S CB 1.552 64.749 63.200 -0.006 0.000 1.073 420 S HN 0.612 nan 8.310 nan 0.000 0.491 421 E N 1.369 121.501 120.200 -0.114 0.000 2.227 421 E HA 0.435 4.785 4.350 -0.000 0.000 0.282 421 E C -0.704 175.789 176.600 -0.178 0.000 1.015 421 E CA -0.300 56.009 56.400 -0.152 0.000 0.823 421 E CB 0.927 30.561 29.700 -0.111 0.000 1.081 421 E HN 0.357 nan 8.360 nan 0.000 0.396 425 G N -0.085 108.629 108.800 -0.143 0.000 2.166 425 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 425 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 425 G C 0.628 175.320 174.900 -0.348 0.000 0.986 425 G CA 0.360 45.342 45.100 -0.197 0.000 0.683 425 G HN 0.755 nan 8.290 nan 0.000 0.527 426 G N -1.349 107.260 108.800 -0.319 0.000 2.634 426 G HA2 0.544 4.503 3.960 -0.000 0.000 0.255 426 G HA3 0.544 4.503 3.960 -0.000 0.000 0.255 426 G C -0.364 174.200 174.900 -0.559 0.000 1.205 426 G CA -0.225 44.700 45.100 -0.291 0.000 0.884 426 G HN 0.468 nan 8.290 nan 0.000 0.549 427 H N -0.838 118.192 119.070 -0.065 0.000 3.012 427 H HA 0.379 4.935 4.556 -0.000 0.000 0.367 427 H C -1.070 174.199 175.328 -0.099 0.000 1.211 427 H CA -0.753 55.203 56.048 -0.153 0.000 1.139 427 H CB 2.420 32.106 29.762 -0.127 0.000 1.838 427 H HN 0.537 nan 8.280 nan 0.000 0.550 428 N N 0.968 119.662 118.700 -0.010 0.000 2.430 428 N HA 0.213 4.953 4.740 -0.000 0.000 0.290 428 N C -1.278 174.293 175.510 0.103 0.000 1.063 428 N CA -0.584 52.494 53.050 0.046 0.000 0.883 428 N CB 1.820 40.324 38.487 0.028 0.000 1.465 428 N HN 0.507 nan 8.380 nan 0.000 0.493 429 R N 4.735 125.347 120.500 0.187 0.000 2.288 429 R HA 0.533 4.873 4.340 -0.000 0.000 0.326 429 R C -1.058 175.366 176.300 0.207 0.000 0.959 429 R CA -0.455 55.804 56.100 0.264 0.000 0.834 429 R CB 0.378 30.849 30.300 0.284 0.000 1.157 429 R HN 0.563 nan 8.270 nan 0.000 0.470 430 I N 2.990 123.707 120.570 0.245 0.000 2.378 430 I HA 0.295 4.464 4.170 -0.000 0.000 0.291 430 I C -0.420 175.859 176.117 0.270 0.000 0.992 430 I CA -0.721 60.715 61.300 0.228 0.000 1.154 430 I CB 2.256 40.384 38.000 0.213 0.000 1.315 430 I HN 0.549 nan 8.210 nan 0.000 0.448 431 S N 6.739 122.560 115.700 0.201 0.000 2.478 431 S HA 0.598 5.068 4.470 -0.000 0.000 0.312 431 S C -0.421 174.295 174.600 0.194 0.000 1.094 431 S CA -0.564 57.750 58.200 0.191 0.000 1.081 431 S CB 1.405 64.682 63.200 0.129 0.000 1.007 431 S HN 0.273 nan 8.310 nan 0.000 0.475 432 I N 3.375 124.081 120.570 0.227 0.000 2.362 432 I HA 0.295 4.464 4.170 -0.000 0.000 0.289 432 I C -0.340 175.909 176.117 0.221 0.000 0.994 432 I CA -0.470 60.955 61.300 0.209 0.000 1.158 432 I CB 0.921 39.061 38.000 0.234 0.000 1.315 432 I HN 0.713 nan 8.210 nan 0.000 0.451 433 H N 6.156 125.275 119.070 0.082 0.000 2.725 433 H HA 0.390 4.946 4.556 -0.000 0.000 0.283 433 H C -0.669 174.692 175.328 0.054 0.000 1.110 433 H CA -0.168 55.921 56.048 0.069 0.000 1.289 433 H CB 0.635 30.431 29.762 0.056 0.000 1.400 433 H HN 0.482 nan 8.280 nan 0.000 0.493 434 N N 4.173 122.765 118.700 -0.179 0.000 2.400 434 N HA 0.367 5.107 4.740 -0.000 0.000 0.288 434 N C -1.460 173.910 175.510 -0.234 0.000 1.024 434 N CA -0.337 52.628 53.050 -0.142 0.000 0.894 434 N CB 1.571 40.027 38.487 -0.052 0.000 1.173 434 N HN 0.292 nan 8.380 nan 0.000 0.487 435 V N 2.788 122.606 119.914 -0.159 0.000 2.686 435 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 435 V C -0.262 175.795 176.094 -0.062 0.000 1.065 435 V CA -0.660 61.560 62.300 -0.134 0.000 0.894 435 V CB 1.099 32.852 31.823 -0.117 0.000 1.004 435 V HN 1.003 nan 8.190 nan 0.000 0.424 436 C N 2.107 121.375 119.300 -0.054 0.000 3.197 436 C HA 0.483 4.943 4.460 -0.000 0.000 0.343 436 C C -0.959 174.016 174.990 -0.024 0.000 1.291 436 C CA -0.926 58.078 59.018 -0.024 0.000 1.191 436 C CB 1.691 29.426 27.740 -0.008 0.000 1.444 436 C HN 0.871 nan 8.230 nan 0.000 0.468 437 E N 1.206 121.401 120.200 -0.009 0.000 1.944 437 E HA 0.071 4.421 4.350 -0.000 0.000 0.272 437 E C 0.375 176.973 176.600 -0.003 0.000 1.195 437 E CA 0.088 56.483 56.400 -0.009 0.000 0.926 437 E CB 0.587 30.284 29.700 -0.004 0.000 1.051 437 E HN 0.685 nan 8.360 nan 0.000 0.404 438 D N 2.946 123.341 120.400 -0.008 0.000 2.192 438 D HA -0.264 4.375 4.640 -0.000 0.000 0.189 438 D C 1.628 177.935 176.300 0.012 0.000 1.007 438 D CA 1.934 55.935 54.000 0.002 0.000 0.859 438 D CB -0.043 40.757 40.800 0.000 0.000 0.936 438 D HN 0.420 nan 8.370 nan 0.000 0.447 439 S N -1.212 114.492 115.700 0.007 0.000 2.419 439 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 439 S C 2.026 176.635 174.600 0.015 0.000 1.019 439 S CA 0.493 58.698 58.200 0.008 0.000 0.982 439 S CB -0.258 62.939 63.200 -0.005 0.000 0.789 439 S HN 0.331 nan 8.310 nan 0.000 0.490 440 L N 0.455 121.688 121.223 0.016 0.000 2.552 440 L HA 0.139 4.479 4.340 -0.000 0.000 0.227 440 L C 1.870 178.771 176.870 0.052 0.000 1.146 440 L CA 0.393 55.249 54.840 0.027 0.000 0.858 440 L CB -0.125 41.948 42.059 0.023 0.000 0.969 440 L HN 0.368 nan 8.230 nan 0.000 0.451 441 L N -1.482 119.770 121.223 0.049 0.000 2.388 441 L HA 0.110 4.450 4.340 -0.000 0.000 0.209 441 L C 2.638 179.552 176.870 0.074 0.000 1.061 441 L CA 0.602 55.481 54.840 0.064 0.000 0.834 441 L CB -0.117 41.971 42.059 0.049 0.000 1.029 441 L HN 0.151 nan 8.230 nan 0.000 0.473 442 A N -0.270 122.584 122.820 0.058 0.000 1.873 442 A HA -0.162 4.157 4.320 -0.000 0.000 0.215 442 A C 2.236 179.854 177.584 0.057 0.000 1.186 442 A CA 2.180 54.253 52.037 0.060 0.000 0.616 442 A CB -0.860 18.166 19.000 0.043 0.000 0.823 442 A HN 0.324 nan 8.150 nan 0.000 0.442 443 T N 0.815 115.398 114.554 0.048 0.000 2.635 443 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 443 T C -0.149 174.594 174.700 0.071 0.000 1.040 443 T CA 2.128 64.259 62.100 0.051 0.000 1.156 443 T CB -1.268 67.628 68.868 0.047 0.000 0.863 443 T HN 0.394 nan 8.240 nan 0.000 0.430 444 P HA 0.005 nan 4.420 nan 0.000 0.216 444 P C 1.677 179.021 177.300 0.073 0.000 1.150 444 P CA 0.675 63.844 63.100 0.114 0.000 0.837 444 P CB -0.147 31.641 31.700 0.146 0.000 0.786 445 L N -1.110 120.167 121.223 0.090 0.000 2.056 445 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 445 L C 2.154 178.975 176.870 -0.081 0.000 1.078 445 L CA 1.476 56.372 54.840 0.094 0.000 0.749 445 L CB -0.532 41.645 42.059 0.197 0.000 0.901 445 L HN -0.140 nan 8.230 nan 0.000 0.433 446 I N -0.067 120.487 120.570 -0.027 0.000 2.286 446 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 446 I C 2.402 178.466 176.117 -0.089 0.000 1.115 446 I CA 1.458 62.724 61.300 -0.056 0.000 1.392 446 I CB -0.276 37.718 38.000 -0.010 0.000 1.065 446 I HN 0.288 nan 8.210 nan 0.000 0.418 447 I N 0.663 121.210 120.570 -0.038 0.000 2.208 447 I HA -0.320 3.849 4.170 -0.000 0.000 0.245 447 I C 2.107 178.147 176.117 -0.129 0.000 1.097 447 I CA 1.390 62.694 61.300 0.007 0.000 1.363 447 I CB -0.513 37.464 38.000 -0.038 0.000 1.051 447 I HN 0.279 nan 8.210 nan 0.000 0.413 448 D N 0.902 121.112 120.400 -0.317 0.000 2.117 448 D HA -0.150 4.489 4.640 -0.000 0.000 0.197 448 D C 2.369 178.172 176.300 -0.830 0.000 0.987 448 D CA 1.242 54.879 54.000 -0.606 0.000 0.829 448 D CB -0.291 39.972 40.800 -0.895 0.000 0.961 448 D HN 0.312 nan 8.370 nan 0.000 0.460 449 L N 0.485 121.223 121.223 -0.809 0.000 2.012 449 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 449 L C 2.652 179.375 176.870 -0.244 0.000 1.073 449 L CA 0.877 55.409 54.840 -0.514 0.000 0.748 449 L CB -0.431 41.474 42.059 -0.256 0.000 0.891 449 L HN 0.039 nan 8.230 nan 0.000 0.431 450 L N -1.064 120.059 121.223 -0.167 0.000 2.056 450 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 450 L C 1.405 178.270 176.870 -0.008 0.000 1.078 450 L CA 0.357 55.138 54.840 -0.097 0.000 0.749 450 L CB -0.561 41.411 42.059 -0.146 0.000 0.901 450 L HN 0.003 nan 8.230 nan 0.000 0.433 454 E N 1.896 122.113 120.200 0.029 0.000 2.204 454 E HA -0.024 4.325 4.350 -0.000 0.000 0.195 454 E C 1.623 178.259 176.600 0.060 0.000 0.990 454 E CA 1.374 57.776 56.400 0.003 0.000 0.821 454 E CB -0.502 29.216 29.700 0.030 0.000 0.750 454 E HN 0.522 nan 8.360 nan 0.000 0.477 455 F N 0.803 120.761 119.950 0.014 0.000 2.084 455 F HA -0.105 4.422 4.527 -0.000 0.000 0.296 455 F C 1.978 177.854 175.800 0.126 0.000 1.111 455 F CA 1.424 59.460 58.000 0.060 0.000 1.224 455 F CB -0.677 38.376 39.000 0.088 0.000 0.991 455 F HN 0.155 nan 8.300 nan 0.000 0.471 456 C N 0.080 119.548 119.300 0.280 0.000 2.409 456 C HA -0.170 4.290 4.460 -0.000 0.000 0.284 456 C C 2.621 177.665 174.990 0.090 0.000 1.354 456 C CA 1.631 60.891 59.018 0.404 0.000 1.787 456 C CB -1.765 26.312 27.740 0.562 0.000 1.900 456 C HN 0.552 nan 8.230 nan 0.000 0.520 457 T N 0.192 114.592 114.554 -0.257 0.000 2.915 457 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 457 T C 1.682 176.268 174.700 -0.190 0.000 1.071 457 T CA 1.070 62.903 62.100 -0.446 0.000 1.132 457 T CB -0.198 68.432 68.868 -0.396 0.000 0.878 457 T HN 0.607 nan 8.240 nan 0.000 0.479 458 R N 0.642 121.029 120.500 -0.188 0.000 2.426 458 R HA 0.276 4.616 4.340 -0.000 0.000 0.263 458 R C -0.625 175.541 176.300 -0.222 0.000 0.961 458 R CA -0.059 55.921 56.100 -0.199 0.000 1.086 458 R CB 0.519 30.682 30.300 -0.229 0.000 1.186 458 R HN 0.171 nan 8.270 nan 0.000 0.537 459 V N 1.112 120.947 119.914 -0.131 0.000 2.495 459 V HA 0.348 4.468 4.120 -0.000 0.000 0.298 459 V C -0.222 175.816 176.094 -0.093 0.000 1.031 459 V CA -0.695 61.562 62.300 -0.072 0.000 0.871 459 V CB 1.830 33.739 31.823 0.144 0.000 0.988 459 V HN 0.236 nan 8.190 nan 0.000 0.432 460 S N 4.117 119.759 115.700 -0.098 0.000 2.546 460 S HA 0.866 5.336 4.470 -0.000 0.000 0.274 460 S C -1.120 173.465 174.600 -0.025 0.000 1.121 460 S CA -0.791 57.312 58.200 -0.161 0.000 0.887 460 S CB 1.902 65.006 63.200 -0.160 0.000 1.094 460 S HN 0.801 nan 8.310 nan 0.000 0.474 461 Y N -0.423 119.819 120.300 -0.096 0.000 2.659 461 Y HA 0.845 5.395 4.550 -0.000 0.000 0.333 461 Y C -0.578 175.286 175.900 -0.060 0.000 1.064 461 Y CA -1.314 56.624 58.100 -0.271 0.000 1.141 461 Y CB 1.370 39.319 38.460 -0.852 0.000 1.316 461 Y HN 0.839 nan 8.280 nan 0.000 0.509 462 K N 1.854 122.292 120.400 0.063 0.000 2.687 462 K HA 0.227 4.546 4.320 -0.000 0.000 0.249 462 K C -1.581 175.043 176.600 0.039 0.000 0.994 462 K CA -0.697 55.524 56.287 -0.109 0.000 0.913 462 K CB 1.263 33.422 32.500 -0.568 0.000 1.202 462 K HN 0.807 nan 8.250 nan 0.000 0.460 463 K N 4.237 124.699 120.400 0.104 0.000 2.307 463 K HA 0.079 4.399 4.320 -0.000 0.000 0.285 463 K C -0.320 176.189 176.600 -0.151 0.000 1.073 463 K CA -0.312 55.938 56.287 -0.061 0.000 0.996 463 K CB 0.354 32.862 32.500 0.013 0.000 0.994 463 K HN 0.316 nan 8.250 nan 0.000 0.452 464 V N 4.042 123.838 119.914 -0.197 0.000 2.617 464 V HA -0.101 4.019 4.120 -0.000 0.000 0.304 464 V C 0.287 176.303 176.094 -0.130 0.000 1.040 464 V CA 0.235 62.451 62.300 -0.140 0.000 1.149 464 V CB 0.813 32.572 31.823 -0.107 0.000 0.914 464 V HN 0.760 nan 8.190 nan 0.000 0.487 465 D N 6.187 126.531 120.400 -0.093 0.000 2.349 465 D HA 0.389 5.029 4.640 -0.000 0.000 0.232 465 D C -0.981 175.285 176.300 -0.057 0.000 1.071 465 D CA -1.760 52.196 54.000 -0.072 0.000 0.832 465 D CB 1.901 42.665 40.800 -0.060 0.000 1.086 465 D HN 0.278 nan 8.370 nan 0.000 0.504 466 P HA -0.160 nan 4.420 nan 0.000 0.218 466 P C 1.112 178.393 177.300 -0.031 0.000 1.148 466 P CA 0.651 63.727 63.100 -0.039 0.000 0.822 466 P CB 0.488 32.166 31.700 -0.037 0.000 0.784 467 V N 0.077 119.972 119.914 -0.030 0.000 2.341 467 V HA -0.002 4.118 4.120 -0.000 0.000 0.240 467 V C 1.562 177.641 176.094 -0.025 0.000 1.035 467 V CA 1.020 63.305 62.300 -0.024 0.000 1.033 467 V CB -0.668 31.142 31.823 -0.022 0.000 0.678 467 V HN 0.085 nan 8.190 nan 0.000 0.464 468 K N 2.170 122.551 120.400 -0.030 0.000 2.281 468 K HA 0.249 4.569 4.320 -0.000 0.000 0.272 468 K C 0.098 176.675 176.600 -0.040 0.000 1.048 468 K CA -0.360 55.908 56.287 -0.031 0.000 0.898 468 K CB 0.848 33.330 32.500 -0.031 0.000 1.128 468 K HN 0.606 nan 8.250 nan 0.000 0.460 469 E N 3.698 123.877 120.200 -0.035 0.000 2.349 469 E HA 0.034 4.384 4.350 -0.000 0.000 0.265 469 E C -0.607 175.963 176.600 -0.050 0.000 1.064 469 E CA -0.512 55.864 56.400 -0.040 0.000 0.886 469 E CB 0.634 30.317 29.700 -0.027 0.000 1.036 469 E HN 0.621 nan 8.360 nan 0.000 0.413 470 D N -0.336 120.023 120.400 -0.068 0.000 3.039 470 D HA -0.216 4.424 4.640 -0.000 0.000 0.222 470 D C -0.386 175.857 176.300 -0.094 0.000 1.179 470 D CA 1.242 55.189 54.000 -0.087 0.000 0.880 470 D CB -1.134 39.633 40.800 -0.056 0.000 1.115 470 D HN 0.671 nan 8.370 nan 0.000 0.416 471 A N 0.387 123.154 122.820 -0.088 0.000 2.520 471 A HA 0.490 4.810 4.320 -0.000 0.000 0.245 471 A C 1.435 178.957 177.584 -0.102 0.000 1.072 471 A CA 1.141 53.131 52.037 -0.078 0.000 0.761 471 A CB 0.303 19.265 19.000 -0.065 0.000 1.004 471 A HN 0.947 nan 8.150 nan 0.000 0.499 472 G N 1.424 110.173 108.800 -0.085 0.000 2.806 472 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.236 472 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.236 472 G C -0.112 174.699 174.900 -0.148 0.000 1.387 472 G CA 0.437 45.480 45.100 -0.095 0.000 0.884 472 G HN 1.062 nan 8.290 nan 0.000 0.560 473 K N -1.392 118.916 120.400 -0.154 0.000 2.378 473 K HA 0.644 4.963 4.320 -0.000 0.000 0.244 473 K C -0.075 176.375 176.600 -0.250 0.000 1.039 473 K CA -1.113 55.049 56.287 -0.208 0.000 0.863 473 K CB 1.066 33.527 32.500 -0.065 0.000 1.326 473 K HN 0.308 nan 8.250 nan 0.000 0.460 474 F N 1.809 121.686 119.950 -0.121 0.000 2.629 474 F HA -0.001 4.525 4.527 -0.000 0.000 0.377 474 F C 0.838 176.469 175.800 -0.282 0.000 1.101 474 F CA 0.479 58.357 58.000 -0.204 0.000 1.301 474 F CB 0.391 39.292 39.000 -0.166 0.000 1.062 474 F HN 0.429 nan 8.300 nan 0.000 0.583 475 E N 1.802 121.791 120.200 -0.350 0.000 2.281 475 E HA 0.382 4.732 4.350 -0.000 0.000 0.262 475 E C -0.744 175.475 176.600 -0.634 0.000 0.933 475 E CA -0.838 55.277 56.400 -0.474 0.000 0.809 475 E CB 1.017 30.385 29.700 -0.552 0.000 1.242 475 E HN 0.403 nan 8.360 nan 0.000 0.418 476 N N 0.718 119.216 118.700 -0.337 0.000 2.482 476 N HA 0.267 5.007 4.740 -0.000 0.000 0.279 476 N C -0.470 175.004 175.510 -0.059 0.000 1.182 476 N CA -0.361 52.592 53.050 -0.162 0.000 0.969 476 N CB 0.271 38.780 38.487 0.036 0.000 1.201 476 N HN 0.269 nan 8.380 nan 0.000 0.523 477 F N 0.662 120.730 119.950 0.197 0.000 2.586 477 F HA -0.061 4.466 4.527 -0.000 0.000 0.344 477 F C 1.076 176.833 175.800 -0.070 0.000 1.188 477 F CA -0.036 58.091 58.000 0.211 0.000 1.359 477 F CB -0.044 39.093 39.000 0.227 0.000 1.129 477 F HN 0.350 nan 8.300 nan 0.000 0.609 478 Y N 5.075 125.461 120.300 0.143 0.000 2.632 478 Y HA 0.099 4.648 4.550 -0.000 0.000 0.329 478 Y C -1.546 174.248 175.900 -0.177 0.000 1.174 478 Y CA -2.407 55.669 58.100 -0.041 0.000 1.469 478 Y CB 0.172 38.596 38.460 -0.060 0.000 1.242 478 Y HN 0.386 nan 8.280 nan 0.000 0.540 479 P HA -0.304 nan 4.420 nan 0.000 0.226 479 P C -0.284 176.678 177.300 -0.564 0.000 1.154 479 P CA 2.003 64.669 63.100 -0.724 0.000 0.918 479 P CB -0.112 31.182 31.700 -0.676 0.000 0.790 480 V N 0.809 120.314 119.914 -0.681 0.000 2.387 480 V HA -0.000 4.120 4.120 -0.000 0.000 0.260 480 V C 0.748 176.786 176.094 -0.094 0.000 1.054 480 V CA 0.070 62.199 62.300 -0.286 0.000 0.967 480 V CB -0.307 31.460 31.823 -0.094 0.000 1.036 480 V HN 0.024 nan 8.190 nan 0.000 0.481 481 L N 5.981 127.175 121.223 -0.050 0.000 2.404 481 L HA 0.113 4.453 4.340 -0.000 0.000 0.277 481 L C 1.820 178.696 176.870 0.010 0.000 1.184 481 L CA -0.121 54.723 54.840 0.006 0.000 1.013 481 L CB 0.369 42.523 42.059 0.158 0.000 1.318 481 L HN 0.844 nan 8.230 nan 0.000 0.435 482 T N -2.247 112.263 114.554 -0.074 0.000 3.035 482 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 482 T C 1.464 176.191 174.700 0.044 0.000 1.109 482 T CA 0.655 62.728 62.100 -0.045 0.000 1.119 482 T CB -0.277 68.508 68.868 -0.138 0.000 0.900 482 T HN 0.422 nan 8.240 nan 0.000 0.503 483 F N 0.911 120.790 119.950 -0.119 0.000 2.583 483 F HA 0.189 4.716 4.527 -0.000 0.000 0.297 483 F C 1.481 177.342 175.800 0.102 0.000 1.131 483 F CA 0.224 58.160 58.000 -0.107 0.000 1.467 483 F CB -0.003 38.833 39.000 -0.273 0.000 1.097 483 F HN 0.200 nan 8.300 nan 0.000 0.586 484 L N -1.061 120.380 121.223 0.363 0.000 2.693 484 L HA 0.034 4.374 4.340 -0.000 0.000 0.235 484 L C 2.103 179.224 176.870 0.419 0.000 1.127 484 L CA 0.141 55.297 54.840 0.526 0.000 0.914 484 L CB -0.208 42.099 42.059 0.413 0.000 1.193 484 L HN -0.000 nan 8.230 nan 0.000 0.502 485 S N -0.748 115.090 115.700 0.230 0.000 2.500 485 S HA -0.253 4.217 4.470 -0.000 0.000 0.239 485 S C 1.816 176.456 174.600 0.065 0.000 0.989 485 S CA 0.681 58.964 58.200 0.137 0.000 0.951 485 S CB -0.601 62.648 63.200 0.081 0.000 0.759 485 S HN 0.578 nan 8.310 nan 0.000 0.523 486 Y N 1.109 121.311 120.300 -0.163 0.000 2.242 486 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 486 Y C 1.717 177.354 175.900 -0.438 0.000 1.137 486 Y CA 1.369 59.189 58.100 -0.467 0.000 1.181 486 Y CB -0.237 37.618 38.460 -1.009 0.000 0.989 486 Y HN 0.319 nan 8.280 nan 0.000 0.527 487 W N 0.321 121.664 121.300 0.072 0.000 3.211 487 W HA 0.279 4.939 4.660 -0.000 0.000 0.292 487 W C -0.588 175.928 176.519 -0.006 0.000 1.268 487 W CA -0.094 57.250 57.345 -0.002 0.000 1.702 487 W CB -0.070 29.457 29.460 0.112 0.000 1.092 487 W HN -0.079 nan 8.180 nan 0.000 0.643 488 L N 0.967 122.305 121.223 0.191 0.000 2.295 488 L HA 0.276 4.616 4.340 -0.000 0.000 0.285 488 L C 1.581 178.491 176.870 0.066 0.000 1.035 488 L CA -0.264 54.660 54.840 0.141 0.000 0.806 488 L CB 1.892 44.048 42.059 0.162 0.000 1.214 488 L HN -0.249 nan 8.230 nan 0.000 0.426 489 K N 3.020 123.458 120.400 0.064 0.000 2.001 489 K HA 0.011 4.331 4.320 -0.000 0.000 0.208 489 K C 0.739 177.370 176.600 0.051 0.000 1.048 489 K CA 1.327 57.639 56.287 0.042 0.000 0.932 489 K CB 0.159 32.690 32.500 0.052 0.000 0.715 489 K HN 0.715 nan 8.250 nan 0.000 0.437 490 A N 3.072 125.938 122.820 0.077 0.000 2.937 490 A HA 0.322 4.642 4.320 -0.000 0.000 0.338 490 A C -2.553 175.088 177.584 0.095 0.000 1.273 490 A CA -1.634 50.452 52.037 0.082 0.000 0.937 490 A CB 0.244 19.305 19.000 0.102 0.000 1.133 490 A HN 0.224 nan 8.150 nan 0.000 0.491 491 P HA 0.173 nan 4.420 nan 0.000 0.267 491 P C -0.031 177.316 177.300 0.079 0.000 1.209 491 P CA 0.243 63.392 63.100 0.082 0.000 0.763 491 P CB 0.667 32.406 31.700 0.064 0.000 0.816 492 L N 2.263 123.536 121.223 0.083 0.000 2.418 492 L HA 0.736 5.076 4.340 -0.000 0.000 0.265 492 L C 0.512 177.419 176.870 0.062 0.000 1.143 492 L CA -0.464 54.424 54.840 0.080 0.000 0.809 492 L CB 0.688 42.792 42.059 0.074 0.000 1.124 492 L HN 0.404 nan 8.230 nan 0.000 0.456 493 T N -0.904 113.700 114.554 0.084 0.000 2.716 493 T HA 0.531 4.881 4.350 -0.000 0.000 0.286 493 T C -0.132 174.643 174.700 0.125 0.000 1.052 493 T CA -1.230 60.918 62.100 0.080 0.000 1.024 493 T CB 1.159 70.082 68.868 0.091 0.000 1.349 493 T HN 0.690 nan 8.240 nan 0.000 0.525 494 R N 1.624 122.173 120.500 0.082 0.000 2.539 494 R HA 0.393 4.732 4.340 -0.000 0.000 0.275 494 R C -2.281 174.137 176.300 0.196 0.000 1.077 494 R CA -1.793 54.358 56.100 0.086 0.000 1.097 494 R CB 0.014 30.226 30.300 -0.146 0.000 1.018 494 R HN 0.521 nan 8.270 nan 0.000 0.483 495 P HA -0.103 nan 4.420 nan 0.000 0.258 495 P C 0.504 177.858 177.300 0.090 0.000 1.187 495 P CA 0.934 64.103 63.100 0.115 0.000 0.767 495 P CB 0.767 32.520 31.700 0.088 0.000 0.770 496 G N 3.242 112.085 108.800 0.071 0.000 2.424 496 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.207 496 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.207 496 G C -0.073 174.790 174.900 -0.061 0.000 1.061 496 G CA -0.584 44.494 45.100 -0.037 0.000 0.657 496 G HN 0.420 nan 8.290 nan 0.000 0.508 497 F N 2.545 122.505 119.950 0.017 0.000 2.459 497 F HA 0.510 5.037 4.527 -0.000 0.000 0.346 497 F C 1.365 177.259 175.800 0.157 0.000 1.128 497 F CA 0.075 58.088 58.000 0.022 0.000 1.268 497 F CB 0.439 39.426 39.000 -0.021 0.000 1.161 497 F HN 0.127 nan 8.300 nan 0.000 0.583 498 H N 2.790 121.974 119.070 0.190 0.000 2.467 498 H HA 0.244 4.800 4.556 -0.000 0.000 0.331 498 H C -1.832 173.558 175.328 0.104 0.000 1.120 498 H CA -2.034 54.078 56.048 0.107 0.000 1.270 498 H CB 1.089 30.890 29.762 0.065 0.000 1.466 498 H HN 0.348 nan 8.280 nan 0.000 0.504 499 P HA 0.024 nan 4.420 nan 0.000 0.272 499 P C -0.771 176.575 177.300 0.077 0.000 1.223 499 P CA -0.325 62.828 63.100 0.089 0.000 0.784 499 P CB 1.276 33.005 31.700 0.048 0.000 0.923 500 V N 3.147 123.094 119.914 0.055 0.000 2.326 500 V HA 0.181 4.301 4.120 -0.000 0.000 0.281 500 V C 0.646 176.756 176.094 0.027 0.000 1.015 500 V CA -0.309 62.018 62.300 0.045 0.000 0.823 500 V CB 0.558 32.407 31.823 0.044 0.000 1.009 500 V HN 0.460 nan 8.190 nan 0.000 0.436 501 N N 2.733 121.442 118.700 0.016 0.000 2.236 501 N HA 0.129 4.869 4.740 -0.000 0.000 0.196 501 N C 1.306 176.811 175.510 -0.008 0.000 1.114 501 N CA 0.277 53.326 53.050 -0.002 0.000 0.859 501 N CB 0.539 39.021 38.487 -0.009 0.000 0.982 501 N HN 0.778 nan 8.380 nan 0.000 0.493 502 G N 1.156 109.960 108.800 0.007 0.000 2.305 502 G HA2 0.005 3.965 3.960 -0.000 0.000 0.281 502 G HA3 0.005 3.965 3.960 -0.000 0.000 0.281 502 G C 1.099 176.004 174.900 0.010 0.000 1.085 502 G CA -0.244 44.863 45.100 0.010 0.000 1.211 502 G HN 0.165 nan 8.290 nan 0.000 0.421 503 L N 3.249 124.464 121.223 -0.013 0.000 1.997 503 L HA -0.221 4.119 4.340 -0.000 0.000 0.216 503 L C 2.445 179.352 176.870 0.063 0.000 1.074 503 L CA 2.072 56.899 54.840 -0.021 0.000 0.763 503 L CB -0.303 41.712 42.059 -0.073 0.000 0.890 503 L HN 0.539 nan 8.230 nan 0.000 0.434 504 N N -0.322 118.405 118.700 0.045 0.000 2.166 504 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 504 N C 1.702 177.235 175.510 0.039 0.000 1.019 504 N CA 1.454 54.532 53.050 0.046 0.000 0.856 504 N CB -0.216 38.294 38.487 0.037 0.000 0.993 504 N HN 0.509 nan 8.380 nan 0.000 0.426 505 K N 1.087 121.511 120.400 0.040 0.000 2.211 505 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 505 K C 1.939 178.568 176.600 0.047 0.000 1.050 505 K CA 0.820 57.133 56.287 0.043 0.000 0.945 505 K CB -0.040 32.486 32.500 0.043 0.000 0.732 505 K HN 0.386 nan 8.250 nan 0.000 0.451 506 Q N 0.272 120.103 119.800 0.053 0.000 2.083 506 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 506 Q C 2.162 178.143 176.000 -0.031 0.000 0.969 506 Q CA 0.915 56.751 55.803 0.054 0.000 0.838 506 Q CB -0.089 28.706 28.738 0.095 0.000 0.900 506 Q HN 0.089 nan 8.270 nan 0.000 0.436 507 R N 1.030 121.497 120.500 -0.056 0.000 2.070 507 R HA -0.141 4.199 4.340 -0.000 0.000 0.233 507 R C 2.345 178.576 176.300 -0.116 0.000 1.137 507 R CA 2.397 58.357 56.100 -0.234 0.000 0.945 507 R CB -0.929 29.278 30.300 -0.156 0.000 0.845 507 R HN 0.424 nan 8.270 nan 0.000 0.430 508 T N -1.852 112.683 114.554 -0.031 0.000 2.788 508 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 508 T C 1.999 176.715 174.700 0.026 0.000 1.044 508 T CA 1.213 63.317 62.100 0.007 0.000 1.139 508 T CB -0.691 68.193 68.868 0.028 0.000 0.867 508 T HN 0.292 nan 8.240 nan 0.000 0.454 509 A N 1.948 124.794 122.820 0.043 0.000 1.892 509 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 509 A C 2.469 180.060 177.584 0.012 0.000 1.188 509 A CA 1.682 53.783 52.037 0.107 0.000 0.631 509 A CB -1.012 18.108 19.000 0.199 0.000 0.822 509 A HN 0.562 nan 8.150 nan 0.000 0.447 510 L N -0.800 120.366 121.223 -0.095 0.000 2.046 510 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 510 L C 2.639 179.513 176.870 0.007 0.000 1.077 510 L CA 1.547 56.312 54.840 -0.126 0.000 0.747 510 L CB -0.659 41.367 42.059 -0.055 0.000 0.896 510 L HN 0.489 nan 8.230 nan 0.000 0.432 511 E N 0.308 120.528 120.200 0.034 0.000 2.005 511 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 511 E C 1.923 178.501 176.600 -0.035 0.000 1.010 511 E CA 1.477 57.888 56.400 0.017 0.000 0.825 511 E CB -0.289 29.427 29.700 0.026 0.000 0.769 511 E HN 0.486 nan 8.360 nan 0.000 0.456 512 N N 0.645 119.345 118.700 -0.000 0.000 2.132 512 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 512 N C 1.693 177.176 175.510 -0.046 0.000 1.015 512 N CA 0.948 53.993 53.050 -0.008 0.000 0.864 512 N CB -0.490 38.030 38.487 0.054 0.000 1.006 512 N HN 0.122 nan 8.380 nan 0.000 0.430 513 F N 1.834 121.671 119.950 -0.188 0.000 2.102 513 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 513 F C 2.145 177.796 175.800 -0.249 0.000 1.105 513 F CA 1.015 58.868 58.000 -0.245 0.000 1.239 513 F CB -0.565 38.230 39.000 -0.341 0.000 0.991 513 F HN -0.081 nan 8.300 nan 0.000 0.474 514 L N -0.122 120.872 121.223 -0.381 0.000 2.093 514 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 514 L C 2.656 179.319 176.870 -0.346 0.000 1.085 514 L CA 1.245 55.803 54.840 -0.471 0.000 0.755 514 L CB -0.601 41.169 42.059 -0.480 0.000 0.904 514 L HN 0.059 nan 8.230 nan 0.000 0.435 515 R N 0.341 120.692 120.500 -0.249 0.000 2.081 515 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 515 R C 2.264 178.455 176.300 -0.182 0.000 1.131 515 R CA 1.529 57.522 56.100 -0.178 0.000 0.960 515 R CB -0.638 29.593 30.300 -0.116 0.000 0.856 515 R HN 0.312 nan 8.270 nan 0.000 0.436 516 L N -0.601 120.466 121.223 -0.259 0.000 2.201 516 L HA -0.032 4.307 4.340 -0.000 0.000 0.212 516 L C 1.829 178.529 176.870 -0.284 0.000 1.105 516 L CA 1.596 56.250 54.840 -0.310 0.000 0.775 516 L CB -0.582 41.053 42.059 -0.708 0.000 0.913 516 L HN 0.026 nan 8.230 nan 0.000 0.440 517 L N 0.425 121.432 121.223 -0.360 0.000 2.362 517 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 517 L C 2.088 178.864 176.870 -0.156 0.000 1.134 517 L CA 1.011 55.676 54.840 -0.291 0.000 0.807 517 L CB -0.357 41.480 42.059 -0.370 0.000 0.927 517 L HN 0.538 nan 8.230 nan 0.000 0.447 518 I N -4.124 116.369 120.570 -0.129 0.000 3.941 518 I HA 0.433 4.603 4.170 -0.000 0.000 0.335 518 I C 1.007 177.112 176.117 -0.020 0.000 1.402 518 I CA 0.236 61.501 61.300 -0.058 0.000 1.112 518 I CB 0.088 38.052 38.000 -0.059 0.000 1.043 518 I HN 0.121 nan 8.210 nan 0.000 0.395 519 G N 2.224 111.015 108.800 -0.014 0.000 2.149 519 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 519 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 519 G C -0.311 174.609 174.900 0.033 0.000 1.018 519 G CA 0.017 45.138 45.100 0.035 0.000 0.728 519 G HN 0.415 nan 8.290 nan 0.000 0.508 520 L N -0.009 121.217 121.223 0.005 0.000 2.346 520 L HA 0.505 4.845 4.340 -0.000 0.000 0.276 520 L C -2.040 174.848 176.870 0.031 0.000 1.006 520 L CA -2.407 52.436 54.840 0.005 0.000 0.817 520 L CB 2.208 44.247 42.059 -0.033 0.000 1.272 520 L HN -0.110 nan 8.230 nan 0.000 0.421 521 P HA 0.091 nan 4.420 nan 0.000 0.274 521 P C -0.694 176.638 177.300 0.053 0.000 1.246 521 P CA -0.502 62.651 63.100 0.089 0.000 0.795 521 P CB 0.652 32.392 31.700 0.067 0.000 1.006 522 S N 1.076 116.827 115.700 0.084 0.000 2.562 522 S HA 0.070 4.540 4.470 -0.000 0.000 0.281 522 S C 0.218 174.828 174.600 0.017 0.000 1.333 522 S CA -0.727 57.506 58.200 0.055 0.000 1.052 522 S CB -0.063 63.195 63.200 0.096 0.000 0.884 522 S HN 0.278 nan 8.310 nan 0.000 0.506 523 Q N 2.283 122.082 119.800 -0.002 0.000 2.315 523 Q HA 0.039 4.379 4.340 -0.000 0.000 0.289 523 Q C 0.550 176.534 176.000 -0.027 0.000 1.044 523 Q CA 0.348 56.136 55.803 -0.025 0.000 0.920 523 Q CB 0.238 28.962 28.738 -0.024 0.000 1.214 523 Q HN 1.012 nan 8.270 nan 0.000 0.392 524 N N 0.284 118.949 118.700 -0.057 0.000 2.239 524 N HA -0.046 4.694 4.740 -0.000 0.000 0.208 524 N C -0.414 175.041 175.510 -0.091 0.000 1.200 524 N CA -0.033 52.970 53.050 -0.077 0.000 0.895 524 N CB 0.496 38.910 38.487 -0.122 0.000 1.085 524 N HN 0.336 nan 8.380 nan 0.000 0.500 525 E N -0.057 120.092 120.200 -0.085 0.000 2.722 525 E HA -0.198 4.152 4.350 -0.000 0.000 0.265 525 E C 0.557 177.097 176.600 -0.100 0.000 1.081 525 E CA 0.403 56.762 56.400 -0.068 0.000 0.781 525 E CB -1.889 27.794 29.700 -0.029 0.000 1.372 525 E HN 0.536 nan 8.360 nan 0.000 0.423 526 L N -0.416 120.681 121.223 -0.209 0.000 2.156 526 L HA 0.012 4.351 4.340 -0.000 0.000 0.208 526 L C 1.072 177.816 176.870 -0.211 0.000 1.095 526 L CA 0.736 55.361 54.840 -0.358 0.000 0.770 526 L CB -0.177 41.338 42.059 -0.907 0.000 0.914 526 L HN 0.129 nan 8.230 nan 0.000 0.439 527 R N -0.520 119.894 120.500 -0.142 0.000 3.109 527 R HA -0.225 4.115 4.340 -0.000 0.000 0.241 527 R C 0.605 177.004 176.300 0.164 0.000 0.882 527 R CA 0.207 56.308 56.100 0.002 0.000 0.604 527 R CB -2.163 28.154 30.300 0.029 0.000 1.040 527 R HN 0.331 nan 8.270 nan 0.000 0.480 528 F N -0.103 119.851 119.950 0.006 0.000 2.699 528 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 528 F C 1.747 177.550 175.800 0.006 0.000 1.154 528 F CA 0.201 58.204 58.000 0.006 0.000 1.457 528 F CB 0.241 39.244 39.000 0.006 0.000 1.106 528 F HN 0.274 nan 8.300 nan 0.000 0.585 529 E N 0.192 120.502 120.200 0.184 0.000 2.358 529 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 529 E C 1.741 178.387 176.600 0.077 0.000 1.010 529 E CA 0.604 57.066 56.400 0.103 0.000 0.856 529 E CB 0.035 29.777 29.700 0.069 0.000 0.795 529 E HN 0.498 nan 8.360 nan 0.000 0.504 530 E N 0.360 120.615 120.200 0.091 0.000 2.207 530 E HA 0.046 4.395 4.350 -0.000 0.000 0.197 530 E C 1.863 178.501 176.600 0.063 0.000 0.914 530 E CA -0.063 56.376 56.400 0.065 0.000 0.914 530 E CB 0.137 29.873 29.700 0.060 0.000 0.893 530 E HN -0.023 nan 8.360 nan 0.000 0.479 531 R N -0.012 120.548 120.500 0.099 0.000 2.091 531 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 531 R C 0.693 176.995 176.300 0.004 0.000 1.136 531 R CA 0.835 56.980 56.100 0.075 0.000 0.959 531 R CB -0.152 30.241 30.300 0.156 0.000 0.856 531 R HN 0.119 nan 8.270 nan 0.000 0.437 532 L N -0.845 120.367 121.223 -0.019 0.000 2.805 532 L HA 0.298 4.638 4.340 -0.000 0.000 0.242 532 L C 0.550 177.397 176.870 -0.039 0.000 1.180 532 L CA -0.411 54.374 54.840 -0.091 0.000 1.001 532 L CB -0.005 41.922 42.059 -0.220 0.000 1.864 532 L HN -0.020 nan 8.230 nan 0.000 0.551 533 L N 0.000 121.193 121.223 -0.050 0.000 2.949 533 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 533 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 533 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502