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 1ivu_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNYDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.579 177.584 -0.008 0.000 1.274 9 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 9 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 10 S N 1.854 117.557 115.700 0.004 0.000 2.549 10 S HA 0.468 4.918 4.470 -0.032 0.000 0.279 10 S C -1.485 173.096 174.600 -0.031 0.000 1.321 10 S CA -0.795 57.416 58.200 0.019 0.000 1.054 10 S CB 0.497 63.739 63.200 0.070 0.000 0.899 10 S HN 0.399 nan 8.310 nan 0.000 0.497 11 P HA 0.089 nan 4.420 nan 0.000 0.230 11 P C -0.079 176.863 177.300 -0.597 0.000 1.158 11 P CA 0.842 63.728 63.100 -0.357 0.000 0.769 11 P CB 0.044 31.454 31.700 -0.484 0.000 0.807 12 F N -0.700 119.177 119.950 -0.123 0.000 2.654 12 F HA 0.192 4.699 4.527 -0.033 0.000 0.303 12 F C 1.416 177.150 175.800 -0.111 0.000 1.099 12 F CA -0.742 57.140 58.000 -0.198 0.000 1.270 12 F CB -0.154 38.710 39.000 -0.228 0.000 1.024 12 F HN -0.200 nan 8.300 nan 0.000 0.548 13 R N 0.831 121.356 120.500 0.041 0.000 2.738 13 R HA 0.258 4.579 4.340 -0.032 0.000 0.268 13 R C -0.210 176.111 176.300 0.035 0.000 1.062 13 R CA -0.419 55.714 56.100 0.055 0.000 1.158 13 R CB 0.508 30.830 30.300 0.037 0.000 1.046 13 R HN 0.170 nan 8.270 nan 0.000 0.493 14 L N 1.588 122.847 121.223 0.060 0.000 2.439 14 L HA 0.180 4.501 4.340 -0.032 0.000 0.269 14 L C 0.739 177.646 176.870 0.062 0.000 1.179 14 L CA -0.351 54.526 54.840 0.063 0.000 0.828 14 L CB 0.819 42.918 42.059 0.066 0.000 1.106 14 L HN 0.847 nan 8.230 nan 0.000 0.467 15 A N 2.873 125.742 122.820 0.082 0.000 2.511 15 A HA 0.228 4.529 4.320 -0.032 0.000 0.242 15 A C 0.318 177.975 177.584 0.121 0.000 1.069 15 A CA 0.088 52.225 52.037 0.166 0.000 0.763 15 A CB 0.424 19.588 19.000 0.274 0.000 1.001 15 A HN 0.674 nan 8.150 nan 0.000 0.498 16 S N 0.995 116.763 115.700 0.114 0.000 2.652 16 S HA 0.510 4.961 4.470 -0.032 0.000 0.270 16 S C 1.429 176.048 174.600 0.031 0.000 1.243 16 S CA -0.025 58.209 58.200 0.056 0.000 0.999 16 S CB 1.086 64.311 63.200 0.043 0.000 0.973 16 S HN 1.374 nan 8.310 nan 0.000 0.544 17 A N 2.671 125.497 122.820 0.010 0.000 1.930 17 A HA 0.114 4.414 4.320 -0.032 0.000 0.217 17 A C 2.051 179.619 177.584 -0.027 0.000 1.175 17 A CA 1.781 53.814 52.037 -0.007 0.000 0.627 17 A CB -1.476 17.520 19.000 -0.006 0.000 0.815 17 A HN 1.003 nan 8.150 nan 0.000 0.443 18 G N -0.671 108.115 108.800 -0.023 0.000 2.443 18 G HA2 -0.140 3.801 3.960 -0.032 0.000 0.219 18 G HA3 -0.140 3.801 3.960 -0.032 0.000 0.219 18 G C 1.373 176.229 174.900 -0.073 0.000 1.131 18 G CA 0.861 45.938 45.100 -0.038 0.000 0.775 18 G HN 0.660 nan 8.290 nan 0.000 0.547 19 E N -0.092 120.062 120.200 -0.077 0.000 2.152 19 E HA -0.028 4.303 4.350 -0.032 0.000 0.192 19 E C 2.401 178.783 176.600 -0.364 0.000 0.983 19 E CA 0.224 56.521 56.400 -0.172 0.000 0.818 19 E CB 0.023 29.697 29.700 -0.043 0.000 0.758 19 E HN 0.318 nan 8.360 nan 0.000 0.467 20 I N 0.945 121.369 120.570 -0.245 0.000 2.202 20 I HA -0.181 3.969 4.170 -0.032 0.000 0.242 20 I C 2.277 178.277 176.117 -0.195 0.000 1.091 20 I CA 1.088 62.235 61.300 -0.255 0.000 1.368 20 I CB -1.195 36.738 38.000 -0.110 0.000 1.058 20 I HN -0.032 nan 8.210 nan 0.000 0.410 21 S N 0.524 116.149 115.700 -0.125 0.000 2.383 21 S HA -0.225 4.225 4.470 -0.032 0.000 0.229 21 S C 1.925 176.463 174.600 -0.103 0.000 1.030 21 S CA 1.446 59.594 58.200 -0.087 0.000 1.002 21 S CB -0.201 62.965 63.200 -0.057 0.000 0.829 21 S HN 0.394 nan 8.310 nan 0.000 0.467 22 E N 0.926 121.043 120.200 -0.138 0.000 2.106 22 E HA -0.057 4.273 4.350 -0.032 0.000 0.192 22 E C 1.895 178.402 176.600 -0.156 0.000 0.984 22 E CA 0.691 57.012 56.400 -0.130 0.000 0.806 22 E CB -0.186 29.436 29.700 -0.130 0.000 0.750 22 E HN 0.264 nan 8.360 nan 0.000 0.458 23 V N 0.704 120.470 119.914 -0.248 0.000 2.427 23 V HA -0.256 3.844 4.120 -0.032 0.000 0.248 23 V C 2.485 178.504 176.094 -0.125 0.000 1.051 23 V CA 2.079 64.239 62.300 -0.234 0.000 1.048 23 V CB -0.544 31.060 31.823 -0.366 0.000 0.666 23 V HN 0.372 nan 8.190 nan 0.000 0.456 24 Q N 0.237 119.972 119.800 -0.108 0.000 2.030 24 Q HA -0.185 4.135 4.340 -0.032 0.000 0.204 24 Q C 2.301 178.279 176.000 -0.036 0.000 0.986 24 Q CA 2.205 57.977 55.803 -0.050 0.000 0.843 24 Q CB -0.564 28.154 28.738 -0.034 0.000 0.904 24 Q HN 0.631 nan 8.270 nan 0.000 0.420 25 G N 1.007 109.779 108.800 -0.046 0.000 2.476 25 G HA2 -0.269 3.672 3.960 -0.032 0.000 0.218 25 G HA3 -0.269 3.672 3.960 -0.032 0.000 0.218 25 G C 1.385 176.267 174.900 -0.029 0.000 1.164 25 G CA 1.136 46.216 45.100 -0.034 0.000 0.768 25 G HN 0.397 nan 8.290 nan 0.000 0.560 26 I N 0.274 120.821 120.570 -0.039 0.000 2.286 26 I HA -0.092 4.058 4.170 -0.032 0.000 0.248 26 I C 2.647 178.755 176.117 -0.015 0.000 1.115 26 I CA 0.562 61.846 61.300 -0.028 0.000 1.392 26 I CB -0.102 37.877 38.000 -0.035 0.000 1.065 26 I HN 0.133 nan 8.210 nan 0.000 0.418 27 L N 0.459 121.673 121.223 -0.016 0.000 2.072 27 L HA -0.133 4.188 4.340 -0.032 0.000 0.205 27 L C 2.840 179.713 176.870 0.004 0.000 1.079 27 L CA 1.138 55.977 54.840 -0.000 0.000 0.752 27 L CB -0.543 41.519 42.059 0.004 0.000 0.906 27 L HN 0.291 nan 8.230 nan 0.000 0.436 28 R N -0.843 119.658 120.500 0.002 0.000 2.075 28 R HA -0.093 4.228 4.340 -0.032 0.000 0.232 28 R C 2.010 178.310 176.300 0.001 0.000 1.126 28 R CA 1.696 57.799 56.100 0.005 0.000 0.963 28 R CB -1.288 29.016 30.300 0.006 0.000 0.858 28 R HN 0.061 nan 8.270 nan 0.000 0.435 29 T N 1.181 115.733 114.554 -0.004 0.000 2.759 29 T HA -0.074 4.257 4.350 -0.032 0.000 0.269 29 T C 1.775 176.474 174.700 -0.002 0.000 1.042 29 T CA 1.625 63.722 62.100 -0.005 0.000 1.140 29 T CB -0.187 68.676 68.868 -0.008 0.000 0.864 29 T HN 0.526 nan 8.240 nan 0.000 0.455 30 A N 0.204 123.024 122.820 0.000 0.000 2.278 30 A HA 0.522 4.822 4.320 -0.032 0.000 0.212 30 A C 1.720 179.307 177.584 0.004 0.000 1.213 30 A CA 0.636 52.675 52.037 0.003 0.000 0.840 30 A CB -0.742 18.261 19.000 0.006 0.000 0.866 30 A HN 0.686 nan 8.150 nan 0.000 0.489 31 G N -0.906 107.896 108.800 0.003 0.000 2.221 31 G HA2 -0.243 3.697 3.960 -0.032 0.000 0.265 31 G HA3 -0.243 3.697 3.960 -0.032 0.000 0.265 31 G C 0.465 175.369 174.900 0.006 0.000 1.041 31 G CA 0.601 45.703 45.100 0.003 0.000 0.807 31 G HN 0.538 nan 8.290 nan 0.000 0.502 32 L N -1.503 119.727 121.223 0.010 0.000 2.693 32 L HA 0.434 4.755 4.340 -0.032 0.000 0.235 32 L C 1.175 178.057 176.870 0.020 0.000 1.127 32 L CA -0.033 54.816 54.840 0.015 0.000 0.914 32 L CB 0.560 42.632 42.059 0.021 0.000 1.193 32 L HN 0.212 nan 8.230 nan 0.000 0.502 33 L N 0.655 121.892 121.223 0.023 0.000 2.892 33 L HA 0.501 4.822 4.340 -0.032 0.000 0.251 33 L C 0.767 177.662 176.870 0.042 0.000 1.339 33 L CA -0.240 54.623 54.840 0.037 0.000 0.900 33 L CB 0.221 42.305 42.059 0.042 0.000 1.246 33 L HN -0.041 nan 8.230 nan 0.000 0.524 34 G N 0.511 109.328 108.800 0.029 0.000 2.611 34 G HA2 0.253 4.194 3.960 -0.032 0.000 0.273 34 G HA3 0.253 4.194 3.960 -0.032 0.000 0.273 34 G C -1.460 173.467 174.900 0.046 0.000 1.305 34 G CA -0.304 44.811 45.100 0.026 0.000 1.010 34 G HN 0.386 nan 8.290 nan 0.000 0.509 35 P HA -0.035 nan 4.420 nan 0.000 0.222 35 P C 0.758 178.097 177.300 0.066 0.000 1.147 35 P CA 1.012 64.141 63.100 0.048 0.000 0.790 35 P CB 0.391 32.101 31.700 0.017 0.000 0.780 36 E N -0.541 119.676 120.200 0.029 0.000 2.474 36 E HA 0.093 4.424 4.350 -0.032 0.000 0.195 36 E C 0.399 176.980 176.600 -0.032 0.000 1.039 36 E CA 0.245 56.644 56.400 -0.001 0.000 0.881 36 E CB 0.189 29.867 29.700 -0.035 0.000 0.970 36 E HN 0.281 nan 8.360 nan 0.000 0.486 37 K N 1.557 121.961 120.400 0.006 0.000 2.143 37 K HA 0.344 4.645 4.320 -0.032 0.000 0.272 37 K C 0.317 176.922 176.600 0.009 0.000 1.001 37 K CA -0.462 55.818 56.287 -0.011 0.000 0.915 37 K CB 1.437 33.946 32.500 0.015 0.000 1.047 37 K HN -0.179 nan 8.250 nan 0.000 0.458 38 R N 2.088 122.577 120.500 -0.018 0.000 2.628 38 R HA 0.445 4.765 4.340 -0.032 0.000 0.288 38 R C -0.153 176.147 176.300 -0.001 0.000 0.980 38 R CA -0.749 55.315 56.100 -0.061 0.000 0.891 38 R CB 1.263 31.561 30.300 -0.004 0.000 1.188 38 R HN 0.581 nan 8.270 nan 0.000 0.450 39 I N 2.368 122.901 120.570 -0.062 0.000 2.291 39 I HA 0.122 4.272 4.170 -0.032 0.000 0.292 39 I C 1.234 177.361 176.117 0.016 0.000 1.064 39 I CA 0.064 61.367 61.300 0.004 0.000 1.269 39 I CB 1.514 39.499 38.000 -0.026 0.000 1.418 39 I HN 0.707 nan 8.210 nan 0.000 0.485 40 A N 6.711 129.600 122.820 0.116 0.000 2.178 40 A HA 0.050 4.351 4.320 -0.032 0.000 0.211 40 A C 0.196 177.913 177.584 0.222 0.000 1.157 40 A CA 0.656 52.776 52.037 0.137 0.000 0.780 40 A CB 0.106 19.199 19.000 0.155 0.000 0.828 40 A HN 0.674 nan 8.150 nan 0.000 0.476 41 Y N -2.188 118.142 120.300 0.050 0.000 2.457 41 Y HA 0.506 5.036 4.550 -0.033 0.000 0.322 41 Y C -2.090 173.731 175.900 -0.133 0.000 1.218 41 Y CA -1.174 56.871 58.100 -0.092 0.000 1.116 41 Y CB 0.857 39.151 38.460 -0.277 0.000 1.335 41 Y HN 0.109 nan 8.280 nan 0.000 0.452 42 L N 5.640 126.223 121.223 -1.067 0.000 2.516 42 L HA 0.961 5.281 4.340 -0.032 0.000 0.267 42 L C -1.186 175.202 176.870 -0.805 0.000 0.957 42 L CA -0.123 54.275 54.840 -0.737 0.000 0.860 42 L CB 1.899 43.799 42.059 -0.266 0.000 1.265 42 L HN 0.947 nan 8.230 nan 0.000 0.403 43 G N 3.155 111.592 108.800 -0.604 0.000 2.759 43 G HA2 0.451 4.392 3.960 -0.032 0.000 0.297 43 G HA3 0.451 4.392 3.960 -0.032 0.000 0.297 43 G C -1.546 173.210 174.900 -0.241 0.000 1.434 43 G CA -0.566 44.354 45.100 -0.300 0.000 0.980 43 G HN 0.515 nan 8.290 nan 0.000 0.531 44 V N 1.996 121.594 119.914 -0.528 0.000 2.872 44 V HA 0.371 4.471 4.120 -0.032 0.000 0.307 44 V C -0.023 175.811 176.094 -0.433 0.000 1.072 44 V CA -0.184 61.521 62.300 -0.991 0.000 1.148 44 V CB 0.953 32.168 31.823 -1.013 0.000 0.954 44 V HN 0.606 nan 8.190 nan 0.000 0.490 45 L N 5.446 126.440 121.223 -0.381 0.000 2.334 45 L HA 0.520 4.841 4.340 -0.032 0.000 0.277 45 L C 0.122 176.869 176.870 -0.205 0.000 1.075 45 L CA 0.034 54.760 54.840 -0.189 0.000 0.804 45 L CB 1.213 43.199 42.059 -0.121 0.000 1.174 45 L HN 0.696 nan 8.230 nan 0.000 0.438 46 D N 3.905 124.229 120.400 -0.127 0.000 2.313 46 D HA 0.268 4.888 4.640 -0.032 0.000 0.247 46 D C -2.051 174.154 176.300 -0.159 0.000 1.094 46 D CA -0.955 52.959 54.000 -0.143 0.000 0.925 46 D CB 0.472 41.287 40.800 0.024 0.000 1.188 46 D HN 0.328 nan 8.370 nan 0.000 0.430 47 P HA 0.165 nan 4.420 nan 0.000 0.265 47 P C -0.690 176.564 177.300 -0.076 0.000 1.193 47 P CA -0.080 62.893 63.100 -0.210 0.000 0.765 47 P CB 0.549 32.044 31.700 -0.342 0.000 0.823 48 A N 3.749 126.536 122.820 -0.057 0.000 2.327 48 A HA 0.253 4.553 4.320 -0.032 0.000 0.255 48 A C 0.339 177.897 177.584 -0.043 0.000 1.099 48 A CA -0.404 51.621 52.037 -0.021 0.000 0.801 48 A CB 0.187 19.176 19.000 -0.019 0.000 1.062 48 A HN 0.400 nan 8.150 nan 0.000 0.496 49 R N 0.236 120.696 120.500 -0.066 0.000 2.483 49 R HA 0.366 4.687 4.340 -0.032 0.000 0.329 49 R C 0.399 176.650 176.300 -0.082 0.000 0.961 49 R CA 0.998 57.013 56.100 -0.141 0.000 1.041 49 R CB -0.960 29.210 30.300 -0.216 0.000 0.930 49 R HN 1.084 nan 8.270 nan 0.000 0.413 50 G N -0.443 108.324 108.800 -0.056 0.000 2.441 50 G HA2 0.500 4.441 3.960 -0.032 0.000 0.294 50 G HA3 0.500 4.441 3.960 -0.032 0.000 0.294 50 G C -0.829 174.081 174.900 0.018 0.000 1.393 50 G CA 0.030 45.118 45.100 -0.020 0.000 0.796 50 G HN 0.450 nan 8.290 nan 0.000 0.494 51 A N -1.488 121.346 122.820 0.025 0.000 1.690 51 A HA 0.598 4.899 4.320 -0.032 0.000 0.213 51 A C 1.775 179.376 177.584 0.028 0.000 1.785 51 A CA 1.516 53.579 52.037 0.044 0.000 1.230 51 A CB -0.192 18.841 19.000 0.055 0.000 1.175 51 A HN 2.009 nan 8.150 nan 0.000 0.468 52 G N 0.990 109.801 108.800 0.018 0.000 3.379 52 G HA2 0.386 4.327 3.960 -0.032 0.000 0.253 52 G HA3 0.386 4.327 3.960 -0.032 0.000 0.253 52 G C -0.071 174.831 174.900 0.003 0.000 1.262 52 G CA 0.585 45.691 45.100 0.011 0.000 0.959 52 G HN 0.305 nan 8.290 nan 0.000 0.524 53 S N 0.584 116.284 115.700 0.000 0.000 2.592 53 S HA 0.266 4.717 4.470 -0.032 0.000 0.305 53 S C 0.418 175.009 174.600 -0.014 0.000 1.118 53 S CA -0.436 57.758 58.200 -0.010 0.000 1.075 53 S CB 1.340 64.529 63.200 -0.017 0.000 1.107 53 S HN 0.280 nan 8.310 nan 0.000 0.503 54 E N 2.020 122.213 120.200 -0.011 0.000 2.478 54 E HA 0.175 4.506 4.350 -0.032 0.000 0.194 54 E C 0.779 177.368 176.600 -0.019 0.000 1.045 54 E CA 0.006 56.398 56.400 -0.014 0.000 0.868 54 E CB 0.150 29.845 29.700 -0.008 0.000 0.885 54 E HN 0.685 nan 8.360 nan 0.000 0.505 55 A N 1.781 124.590 122.820 -0.020 0.000 2.671 55 A HA 0.053 4.353 4.320 -0.032 0.000 0.306 55 A C -0.017 177.549 177.584 -0.031 0.000 1.473 55 A CA -0.205 51.820 52.037 -0.021 0.000 1.155 55 A CB -0.491 18.499 19.000 -0.016 0.000 1.123 55 A HN 0.067 nan 8.150 nan 0.000 0.545 56 E N 2.224 122.403 120.200 -0.036 0.000 2.220 56 E HA 0.066 4.397 4.350 -0.032 0.000 0.272 56 E C -1.116 175.459 176.600 -0.043 0.000 1.099 56 E CA -0.136 56.233 56.400 -0.053 0.000 0.907 56 E CB 0.341 30.007 29.700 -0.057 0.000 1.022 56 E HN 0.544 nan 8.360 nan 0.000 0.428 57 D N 4.003 124.373 120.400 -0.050 0.000 2.460 57 D HA 0.150 4.770 4.640 -0.032 0.000 0.232 57 D C -0.765 175.511 176.300 -0.041 0.000 1.079 57 D CA -0.715 53.266 54.000 -0.031 0.000 0.864 57 D CB 0.483 41.269 40.800 -0.022 0.000 1.048 57 D HN 0.202 nan 8.370 nan 0.000 0.523 58 R N 3.074 123.565 120.500 -0.015 0.000 2.291 58 R HA 0.302 4.622 4.340 -0.032 0.000 0.333 58 R C -0.327 176.023 176.300 0.083 0.000 1.082 58 R CA 0.008 56.109 56.100 0.002 0.000 0.948 58 R CB 0.006 30.344 30.300 0.063 0.000 1.009 58 R HN 0.334 nan 8.270 nan 0.000 0.460 59 R N 3.645 124.151 120.500 0.011 0.000 2.589 59 R HA 0.441 4.762 4.340 -0.032 0.000 0.293 59 R C -0.980 175.344 176.300 0.041 0.000 0.963 59 R CA -0.685 55.466 56.100 0.086 0.000 0.905 59 R CB 1.477 31.788 30.300 0.020 0.000 1.144 59 R HN 0.319 nan 8.270 nan 0.000 0.459 60 F N 0.801 120.734 119.950 -0.028 0.000 2.520 60 F HA 0.454 4.961 4.527 -0.033 0.000 0.322 60 F C 0.407 176.199 175.800 -0.013 0.000 1.103 60 F CA -0.805 57.173 58.000 -0.037 0.000 0.926 60 F CB 1.769 40.735 39.000 -0.057 0.000 1.154 60 F HN 0.166 nan 8.300 nan 0.000 0.453 61 R N 2.386 122.976 120.500 0.150 0.000 2.368 61 R HA 0.825 5.146 4.340 -0.032 0.000 0.302 61 R C -1.773 174.585 176.300 0.096 0.000 1.002 61 R CA -0.461 55.725 56.100 0.143 0.000 0.929 61 R CB 1.298 31.688 30.300 0.149 0.000 1.073 61 R HN 0.560 nan 8.270 nan 0.000 0.464 62 V N 4.587 124.596 119.914 0.159 0.000 2.760 62 V HA 0.468 4.568 4.120 -0.032 0.000 0.309 62 V C -1.109 175.232 176.094 0.411 0.000 1.077 62 V CA -0.882 61.503 62.300 0.141 0.000 0.910 62 V CB 1.988 33.871 31.823 0.101 0.000 1.008 62 V HN 0.561 nan 8.190 nan 0.000 0.424 63 F N 4.120 124.226 119.950 0.261 0.000 2.332 63 F HA 0.610 5.117 4.527 -0.033 0.000 0.368 63 F C 0.146 176.040 175.800 0.155 0.000 1.110 63 F CA -1.666 56.486 58.000 0.254 0.000 1.087 63 F CB 1.145 40.350 39.000 0.341 0.000 1.235 63 F HN 0.240 nan 8.300 nan 0.000 0.470 64 I N 3.875 124.614 120.570 0.283 0.000 2.321 64 I HA 0.205 4.356 4.170 -0.032 0.000 0.291 64 I C -0.065 176.136 176.117 0.140 0.000 0.998 64 I CA -0.704 60.696 61.300 0.167 0.000 1.227 64 I CB 1.198 39.260 38.000 0.103 0.000 1.368 64 I HN 0.485 nan 8.210 nan 0.000 0.466 65 H N 4.867 123.950 119.070 0.022 0.000 2.483 65 H HA 0.395 4.932 4.556 -0.032 0.000 0.338 65 H C -1.369 173.943 175.328 -0.026 0.000 1.152 65 H CA -0.499 55.537 56.048 -0.020 0.000 1.264 65 H CB 1.542 31.285 29.762 -0.032 0.000 1.510 65 H HN 0.582 nan 8.280 nan 0.000 0.530 66 D N 3.045 122.996 120.400 -0.748 0.000 2.505 66 D HA 0.175 4.796 4.640 -0.032 0.000 0.250 66 D C 0.332 176.200 176.300 -0.720 0.000 1.164 66 D CA -0.560 53.101 54.000 -0.565 0.000 0.870 66 D CB 1.238 41.885 40.800 -0.256 0.000 1.160 66 D HN 0.359 nan 8.370 nan 0.000 0.549 67 V N 2.683 122.310 119.914 -0.479 0.000 2.688 67 V HA -0.160 3.941 4.120 -0.032 0.000 0.256 67 V C 1.816 177.833 176.094 -0.127 0.000 1.084 67 V CA 1.747 63.911 62.300 -0.227 0.000 1.103 67 V CB -0.267 31.507 31.823 -0.082 0.000 0.688 67 V HN 0.591 nan 8.190 nan 0.000 0.480 68 S N -0.545 115.078 115.700 -0.129 0.000 2.562 68 S HA 0.240 4.690 4.470 -0.032 0.000 0.221 68 S C 1.662 176.218 174.600 -0.074 0.000 0.975 68 S CA 0.819 58.972 58.200 -0.078 0.000 0.918 68 S CB 0.488 63.649 63.200 -0.065 0.000 0.772 68 S HN 0.882 nan 8.310 nan 0.000 0.531 69 G N 0.980 109.721 108.800 -0.098 0.000 2.176 69 G HA2 -0.143 3.797 3.960 -0.032 0.000 0.232 69 G HA3 -0.143 3.797 3.960 -0.032 0.000 0.232 69 G C 0.153 175.011 174.900 -0.071 0.000 0.986 69 G CA -0.189 44.871 45.100 -0.067 0.000 0.643 69 G HN 0.808 nan 8.290 nan 0.000 0.522 70 A N 0.706 123.473 122.820 -0.088 0.000 2.407 70 A HA 0.668 4.968 4.320 -0.032 0.000 0.248 70 A C 0.972 178.508 177.584 -0.081 0.000 1.082 70 A CA -0.199 51.792 52.037 -0.076 0.000 0.785 70 A CB 0.271 19.228 19.000 -0.072 0.000 1.020 70 A HN 0.490 nan 8.150 nan 0.000 0.489 71 R N 1.909 122.367 120.500 -0.071 0.000 2.537 71 R HA 0.077 4.398 4.340 -0.032 0.000 0.281 71 R C -2.161 174.092 176.300 -0.079 0.000 0.988 71 R CA -0.550 55.503 56.100 -0.079 0.000 1.077 71 R CB -0.253 30.000 30.300 -0.078 0.000 0.932 71 R HN 0.598 nan 8.270 nan 0.000 0.409 72 P HA 0.087 nan 4.420 nan 0.000 0.277 72 P C -0.862 176.390 177.300 -0.080 0.000 1.271 72 P CA -0.306 62.752 63.100 -0.069 0.000 0.795 72 P CB 0.897 32.557 31.700 -0.067 0.000 1.101 73 Q N -0.875 118.908 119.800 -0.029 0.000 2.389 73 Q HA 0.342 4.663 4.340 -0.032 0.000 0.277 73 Q C -0.900 175.153 176.000 0.088 0.000 1.082 73 Q CA -0.629 55.176 55.803 0.003 0.000 0.810 73 Q CB 2.525 31.281 28.738 0.029 0.000 1.374 73 Q HN 0.429 nan 8.270 nan 0.000 0.422 74 E N 1.954 122.223 120.200 0.115 0.000 2.073 74 E HA 0.399 4.730 4.350 -0.032 0.000 0.269 74 E C -1.443 175.292 176.600 0.225 0.000 0.917 74 E CA -0.426 56.144 56.400 0.283 0.000 0.757 74 E CB 1.103 30.979 29.700 0.294 0.000 1.111 74 E HN 0.282 nan 8.360 nan 0.000 0.410 75 V N 3.582 123.641 119.914 0.241 0.000 2.555 75 V HA 0.385 4.486 4.120 -0.032 0.000 0.302 75 V C -0.112 176.079 176.094 0.161 0.000 1.038 75 V CA -0.743 61.654 62.300 0.161 0.000 0.887 75 V CB 2.010 33.906 31.823 0.121 0.000 0.991 75 V HN 0.659 nan 8.190 nan 0.000 0.434 76 T N 4.174 118.802 114.554 0.124 0.000 2.791 76 T HA 0.589 4.919 4.350 -0.032 0.000 0.288 76 T C -0.349 174.405 174.700 0.091 0.000 0.999 76 T CA -0.432 61.736 62.100 0.113 0.000 0.952 76 T CB 1.329 70.253 68.868 0.093 0.000 0.938 76 T HN 0.765 nan 8.240 nan 0.000 0.444 77 V N 0.890 120.866 119.914 0.103 0.000 2.680 77 V HA 0.867 4.968 4.120 -0.032 0.000 0.309 77 V C -0.028 176.124 176.094 0.097 0.000 1.052 77 V CA -0.871 61.475 62.300 0.077 0.000 0.908 77 V CB 2.079 33.928 31.823 0.043 0.000 1.001 77 V HN 0.746 nan 8.190 nan 0.000 0.431 78 S N 3.123 118.861 115.700 0.063 0.000 2.404 78 S HA 0.357 4.807 4.470 -0.032 0.000 0.309 78 S C 0.626 175.256 174.600 0.050 0.000 1.076 78 S CA -0.319 57.921 58.200 0.066 0.000 1.095 78 S CB 0.996 64.218 63.200 0.038 0.000 0.972 78 S HN 0.865 nan 8.310 nan 0.000 0.484 79 V N 5.211 125.172 119.914 0.079 0.000 2.913 79 V HA -0.073 4.028 4.120 -0.032 0.000 0.260 79 V C 2.191 178.297 176.094 0.019 0.000 1.098 79 V CA 2.157 64.468 62.300 0.018 0.000 1.121 79 V CB -0.755 31.074 31.823 0.010 0.000 0.714 79 V HN 0.904 nan 8.190 nan 0.000 0.487 80 T N 0.047 114.621 114.554 0.034 0.000 2.852 80 T HA -0.050 4.281 4.350 -0.032 0.000 0.256 80 T C 1.719 176.424 174.700 0.007 0.000 1.038 80 T CA 1.153 63.263 62.100 0.017 0.000 1.141 80 T CB -0.200 68.677 68.868 0.015 0.000 0.869 80 T HN 0.429 nan 8.240 nan 0.000 0.439 81 N N 0.649 119.355 118.700 0.009 0.000 2.376 81 N HA 0.130 4.850 4.740 -0.032 0.000 0.177 81 N C 1.484 176.995 175.510 0.001 0.000 1.024 81 N CA 0.891 53.943 53.050 0.005 0.000 0.893 81 N CB -0.121 38.370 38.487 0.007 0.000 0.980 81 N HN 0.542 nan 8.380 nan 0.000 0.439 82 G N 0.752 109.552 108.800 0.000 0.000 2.149 82 G HA2 -0.250 3.691 3.960 -0.032 0.000 0.235 82 G HA3 -0.250 3.691 3.960 -0.032 0.000 0.235 82 G C 0.050 174.948 174.900 -0.003 0.000 1.018 82 G CA 0.789 45.884 45.100 -0.007 0.000 0.728 82 G HN 0.548 nan 8.290 nan 0.000 0.508 83 T N -3.159 111.398 114.554 0.004 0.000 2.930 83 T HA 0.722 5.052 4.350 -0.032 0.000 0.290 83 T C -0.219 174.491 174.700 0.016 0.000 1.052 83 T CA -0.686 61.419 62.100 0.008 0.000 1.017 83 T CB 2.833 71.707 68.868 0.009 0.000 1.137 83 T HN 0.731 nan 8.240 nan 0.000 0.511 84 V N 2.396 122.321 119.914 0.017 0.000 2.385 84 V HA 0.274 4.374 4.120 -0.032 0.000 0.269 84 V C 0.962 177.073 176.094 0.028 0.000 1.043 84 V CA -0.385 61.931 62.300 0.026 0.000 0.906 84 V CB 0.439 32.277 31.823 0.024 0.000 0.995 84 V HN 0.866 nan 8.190 nan 0.000 0.467 85 I N 3.068 123.660 120.570 0.036 0.000 2.584 85 I HA 0.066 4.216 4.170 -0.032 0.000 0.255 85 I C 1.085 177.223 176.117 0.036 0.000 1.145 85 I CA 1.069 62.389 61.300 0.033 0.000 1.462 85 I CB 0.258 38.279 38.000 0.036 0.000 1.102 85 I HN 0.603 nan 8.210 nan 0.000 0.433 86 S N -0.603 115.125 115.700 0.046 0.000 2.565 86 S HA 0.821 5.272 4.470 -0.032 0.000 0.269 86 S C -1.680 172.956 174.600 0.060 0.000 1.153 86 S CA -0.347 57.883 58.200 0.050 0.000 0.835 86 S CB 1.835 65.069 63.200 0.057 0.000 1.122 86 S HN 0.106 nan 8.310 nan 0.000 0.462 87 A N 2.387 125.239 122.820 0.053 0.000 2.686 87 A HA 0.571 4.872 4.320 -0.032 0.000 0.299 87 A C -1.386 176.223 177.584 0.042 0.000 1.151 87 A CA -0.352 51.719 52.037 0.056 0.000 0.851 87 A CB 0.301 19.327 19.000 0.042 0.000 1.448 87 A HN 0.661 nan 8.150 nan 0.000 0.404 88 V N 1.472 121.416 119.914 0.049 0.000 2.532 88 V HA 0.414 4.515 4.120 -0.032 0.000 0.295 88 V C 0.532 176.625 176.094 -0.002 0.000 1.041 88 V CA -0.596 61.719 62.300 0.025 0.000 0.926 88 V CB 1.782 33.626 31.823 0.035 0.000 0.992 88 V HN 0.858 nan 8.190 nan 0.000 0.457 89 E N 2.869 123.055 120.200 -0.023 0.000 2.259 89 E HA 0.453 4.784 4.350 -0.032 0.000 0.281 89 E C -1.292 175.254 176.600 -0.090 0.000 1.027 89 E CA -0.457 55.912 56.400 -0.052 0.000 0.838 89 E CB 1.026 30.699 29.700 -0.045 0.000 1.066 89 E HN 0.498 nan 8.360 nan 0.000 0.401 90 L N 3.642 124.777 121.223 -0.146 0.000 2.282 90 L HA 0.257 4.578 4.340 -0.032 0.000 0.288 90 L C 0.146 176.896 176.870 -0.200 0.000 1.033 90 L CA -0.611 54.092 54.840 -0.229 0.000 0.807 90 L CB 1.152 42.955 42.059 -0.428 0.000 1.209 90 L HN 0.440 nan 8.230 nan 0.000 0.423 91 D N 1.973 122.268 120.400 -0.176 0.000 2.479 91 D HA 0.036 4.656 4.640 -0.032 0.000 0.218 91 D C 1.353 177.544 176.300 -0.181 0.000 1.131 91 D CA -0.180 53.733 54.000 -0.145 0.000 0.916 91 D CB 1.201 41.938 40.800 -0.105 0.000 1.022 91 D HN 0.704 nan 8.370 nan 0.000 0.515 92 T N 0.515 114.947 114.554 -0.204 0.000 2.849 92 T HA -0.158 4.173 4.350 -0.032 0.000 0.270 92 T C 1.755 176.346 174.700 -0.182 0.000 1.066 92 T CA 1.013 62.980 62.100 -0.222 0.000 1.130 92 T CB -0.037 68.707 68.868 -0.206 0.000 0.864 92 T HN 0.258 nan 8.240 nan 0.000 0.481 93 A N 0.714 123.444 122.820 -0.150 0.000 2.168 93 A HA 0.595 4.895 4.320 -0.032 0.000 0.215 93 A C 2.499 179.981 177.584 -0.169 0.000 1.152 93 A CA 1.199 53.149 52.037 -0.145 0.000 0.716 93 A CB -0.791 18.144 19.000 -0.109 0.000 0.794 93 A HN 0.745 nan 8.150 nan 0.000 0.465 94 A N -0.834 121.890 122.820 -0.160 0.000 1.938 94 A HA 0.159 4.460 4.320 -0.032 0.000 0.207 94 A C 2.046 179.533 177.584 -0.161 0.000 1.292 94 A CA 1.571 53.520 52.037 -0.147 0.000 0.700 94 A CB -0.578 18.366 19.000 -0.094 0.000 0.947 94 A HN 0.640 nan 8.150 nan 0.000 0.476 95 T N -2.837 111.648 114.554 -0.115 0.000 3.163 95 T HA 0.476 4.806 4.350 -0.032 0.000 0.252 95 T C 0.871 175.628 174.700 0.097 0.000 1.056 95 T CA 0.799 62.910 62.100 0.019 0.000 0.947 95 T CB -0.382 68.492 68.868 0.010 0.000 1.016 95 T HN 1.919 nan 8.240 nan 0.000 0.554 96 G N 1.258 110.005 108.800 -0.089 0.000 2.730 96 G HA2 -0.046 3.894 3.960 -0.032 0.000 0.686 96 G HA3 -0.046 3.894 3.960 -0.032 0.000 0.686 96 G C -0.927 173.895 174.900 -0.129 0.000 1.343 96 G CA -1.011 44.067 45.100 -0.036 0.000 0.826 96 G HN 0.355 nan 8.290 nan 0.000 0.582 97 E N -0.437 119.702 120.200 -0.102 0.000 2.314 97 E HA 0.578 4.908 4.350 -0.032 0.000 0.262 97 E C 0.703 177.255 176.600 -0.080 0.000 1.093 97 E CA -0.719 55.597 56.400 -0.141 0.000 0.908 97 E CB 1.120 30.741 29.700 -0.131 0.000 1.091 97 E HN 0.367 nan 8.360 nan 0.000 0.425 98 L N 1.731 122.887 121.223 -0.111 0.000 2.475 98 L HA 0.217 4.537 4.340 -0.032 0.000 0.253 98 L C -2.032 174.840 176.870 0.003 0.000 1.198 98 L CA -1.430 53.420 54.840 0.016 0.000 0.814 98 L CB -0.761 41.302 42.059 0.006 0.000 1.134 98 L HN 0.276 nan 8.230 nan 0.000 0.478 99 P HA 0.042 nan 4.420 nan 0.000 0.267 99 P C -0.985 176.263 177.300 -0.086 0.000 1.200 99 P CA -0.271 62.847 63.100 0.030 0.000 0.772 99 P CB 0.367 32.143 31.700 0.127 0.000 0.855 100 V N 3.550 123.369 119.914 -0.157 0.000 2.715 100 V HA 0.049 4.150 4.120 -0.032 0.000 0.299 100 V C 0.723 176.636 176.094 -0.301 0.000 1.054 100 V CA -0.001 62.088 62.300 -0.352 0.000 1.077 100 V CB -0.224 31.261 31.823 -0.564 0.000 0.972 100 V HN 0.312 nan 8.190 nan 0.000 0.484 101 L N 2.871 123.862 121.223 -0.388 0.000 2.379 101 L HA 0.377 4.697 4.340 -0.032 0.000 0.269 101 L C 1.486 178.239 176.870 -0.195 0.000 1.084 101 L CA -0.289 54.426 54.840 -0.208 0.000 0.802 101 L CB 0.803 42.757 42.059 -0.175 0.000 1.175 101 L HN 0.667 nan 8.230 nan 0.000 0.448 102 E N 0.939 121.206 120.200 0.111 0.000 2.118 102 E HA -0.245 4.086 4.350 -0.032 0.000 0.195 102 E C 1.582 178.304 176.600 0.203 0.000 0.992 102 E CA 1.750 58.353 56.400 0.339 0.000 0.804 102 E CB 0.171 30.074 29.700 0.339 0.000 0.741 102 E HN 0.742 nan 8.360 nan 0.000 0.458 103 E N 0.575 120.821 120.200 0.076 0.000 2.268 103 E HA -0.170 4.160 4.350 -0.032 0.000 0.195 103 E C 1.476 178.086 176.600 0.016 0.000 0.995 103 E CA 0.807 57.247 56.400 0.068 0.000 0.836 103 E CB -0.076 29.660 29.700 0.059 0.000 0.763 103 E HN 0.290 nan 8.360 nan 0.000 0.491 104 E N -0.072 120.063 120.200 -0.108 0.000 2.216 104 E HA -0.051 4.280 4.350 -0.032 0.000 0.192 104 E C 1.372 177.897 176.600 -0.125 0.000 0.988 104 E CA 0.486 56.779 56.400 -0.178 0.000 0.834 104 E CB -0.045 29.452 29.700 -0.338 0.000 0.772 104 E HN 0.259 nan 8.360 nan 0.000 0.479 105 F N 1.609 121.587 119.950 0.046 0.000 2.163 105 F HA -0.059 4.449 4.527 -0.033 0.000 0.297 105 F C 2.073 177.909 175.800 0.059 0.000 1.094 105 F CA 0.959 58.997 58.000 0.064 0.000 1.290 105 F CB -0.373 38.693 39.000 0.110 0.000 1.017 105 F HN -0.041 nan 8.300 nan 0.000 0.483 106 E N -0.431 119.919 120.200 0.249 0.000 2.204 106 E HA -0.162 4.169 4.350 -0.032 0.000 0.195 106 E C 2.295 178.953 176.600 0.097 0.000 0.990 106 E CA 0.988 57.485 56.400 0.161 0.000 0.821 106 E CB -0.328 29.458 29.700 0.142 0.000 0.750 106 E HN 0.170 nan 8.360 nan 0.000 0.477 107 V N 0.301 120.256 119.914 0.068 0.000 3.041 107 V HA -0.148 3.952 4.120 -0.032 0.000 0.260 107 V C 1.933 178.025 176.094 -0.003 0.000 1.105 107 V CA 0.778 63.094 62.300 0.026 0.000 1.125 107 V CB 0.177 32.004 31.823 0.007 0.000 0.730 107 V HN 0.117 nan 8.190 nan 0.000 0.479 108 V N -0.088 119.833 119.914 0.012 0.000 2.295 108 V HA -0.276 3.825 4.120 -0.032 0.000 0.246 108 V C 2.373 178.404 176.094 -0.106 0.000 1.049 108 V CA 2.524 64.797 62.300 -0.044 0.000 1.024 108 V CB -0.544 31.279 31.823 -0.000 0.000 0.648 108 V HN 0.672 nan 8.190 nan 0.000 0.447 109 E N -0.286 119.890 120.200 -0.040 0.000 2.051 109 E HA -0.273 4.057 4.350 -0.032 0.000 0.192 109 E C 2.303 178.868 176.600 -0.058 0.000 0.991 109 E CA 1.483 57.855 56.400 -0.047 0.000 0.799 109 E CB -0.060 29.663 29.700 0.038 0.000 0.748 109 E HN 0.683 nan 8.360 nan 0.000 0.449 110 Q N 0.246 120.032 119.800 -0.022 0.000 2.061 110 Q HA -0.184 4.137 4.340 -0.032 0.000 0.204 110 Q C 2.417 178.390 176.000 -0.044 0.000 0.984 110 Q CA 1.571 57.367 55.803 -0.012 0.000 0.846 110 Q CB -0.123 28.619 28.738 0.006 0.000 0.902 110 Q HN 0.338 nan 8.270 nan 0.000 0.421 111 L N 0.095 121.272 121.223 -0.075 0.000 2.056 111 L HA -0.195 4.126 4.340 -0.032 0.000 0.207 111 L C 2.244 179.020 176.870 -0.157 0.000 1.078 111 L CA 0.874 55.656 54.840 -0.097 0.000 0.749 111 L CB -0.276 41.722 42.059 -0.103 0.000 0.901 111 L HN 0.261 nan 8.230 nan 0.000 0.433 112 L N -0.609 120.439 121.223 -0.292 0.000 2.141 112 L HA -0.160 4.161 4.340 -0.032 0.000 0.209 112 L C 2.763 179.495 176.870 -0.230 0.000 1.094 112 L CA 0.909 55.428 54.840 -0.534 0.000 0.763 112 L CB -0.678 40.596 42.059 -1.308 0.000 0.908 112 L HN 0.231 nan 8.230 nan 0.000 0.437 113 A N -0.224 122.554 122.820 -0.070 0.000 2.131 113 A HA -0.185 4.115 4.320 -0.032 0.000 0.220 113 A C 2.065 179.701 177.584 0.087 0.000 1.158 113 A CA 2.082 54.175 52.037 0.093 0.000 0.665 113 A CB -0.723 18.319 19.000 0.070 0.000 0.795 113 A HN 0.529 nan 8.150 nan 0.000 0.460 114 T N -3.572 111.004 114.554 0.037 0.000 3.084 114 T HA 0.178 4.508 4.350 -0.032 0.000 0.270 114 T C 0.088 174.811 174.700 0.038 0.000 1.008 114 T CA -0.009 62.114 62.100 0.037 0.000 0.900 114 T CB -0.047 68.831 68.868 0.016 0.000 1.084 114 T HN 0.344 nan 8.240 nan 0.000 0.538 115 D N 1.528 121.958 120.400 0.050 0.000 2.264 115 D HA 0.096 4.716 4.640 -0.032 0.000 0.250 115 D C 0.647 177.011 176.300 0.108 0.000 1.113 115 D CA -0.221 53.812 54.000 0.056 0.000 0.871 115 D CB 1.370 42.183 40.800 0.022 0.000 1.167 115 D HN 0.010 nan 8.370 nan 0.000 0.447 116 E N 3.643 123.885 120.200 0.069 0.000 2.077 116 E HA -0.178 4.152 4.350 -0.032 0.000 0.193 116 E C 1.871 178.516 176.600 0.076 0.000 0.989 116 E CA 1.027 57.465 56.400 0.063 0.000 0.800 116 E CB 0.027 29.748 29.700 0.035 0.000 0.746 116 E HN 0.571 nan 8.360 nan 0.000 0.452 117 R N -0.191 120.360 120.500 0.086 0.000 2.115 117 R HA -0.071 4.249 4.340 -0.032 0.000 0.230 117 R C 2.273 178.659 176.300 0.144 0.000 1.111 117 R CA 1.119 57.270 56.100 0.086 0.000 0.976 117 R CB -0.272 30.070 30.300 0.070 0.000 0.870 117 R HN 0.343 nan 8.270 nan 0.000 0.445 118 W N 1.324 122.605 121.300 -0.032 0.000 2.407 118 W HA -0.073 4.585 4.660 -0.003 0.000 0.305 118 W C 1.388 177.895 176.519 -0.021 0.000 1.196 118 W CA 1.034 58.362 57.345 -0.029 0.000 1.311 118 W CB -0.071 29.374 29.460 -0.024 0.000 1.135 118 W HN 0.057 nan 8.180 nan 0.000 0.514 119 L N 0.890 122.220 121.223 0.177 0.000 2.131 119 L HA -0.228 4.093 4.340 -0.032 0.000 0.210 119 L C 2.513 179.363 176.870 -0.032 0.000 1.092 119 L CA 1.352 56.223 54.840 0.051 0.000 0.759 119 L CB -0.669 41.442 42.059 0.086 0.000 0.903 119 L HN -0.108 nan 8.230 nan 0.000 0.435 120 K N -0.044 120.346 120.400 -0.017 0.000 2.025 120 K HA -0.109 4.192 4.320 -0.032 0.000 0.207 120 K C 2.281 178.829 176.600 -0.087 0.000 1.049 120 K CA 1.289 57.553 56.287 -0.039 0.000 0.933 120 K CB -0.249 32.242 32.500 -0.016 0.000 0.714 120 K HN 0.258 nan 8.250 nan 0.000 0.438 121 A N 1.315 124.057 122.820 -0.129 0.000 1.940 121 A HA -0.148 4.153 4.320 -0.032 0.000 0.219 121 A C 2.050 179.486 177.584 -0.247 0.000 1.176 121 A CA 1.344 53.266 52.037 -0.193 0.000 0.631 121 A CB -0.657 18.187 19.000 -0.261 0.000 0.814 121 A HN 0.181 nan 8.150 nan 0.000 0.446 122 L N -1.177 119.858 121.223 -0.314 0.000 2.217 122 L HA -0.111 4.209 4.340 -0.032 0.000 0.211 122 L C 2.983 179.762 176.870 -0.153 0.000 1.107 122 L CA 0.816 55.489 54.840 -0.278 0.000 0.783 122 L CB -0.562 41.315 42.059 -0.303 0.000 0.919 122 L HN 0.454 nan 8.230 nan 0.000 0.442 123 A N 0.315 123.067 122.820 -0.113 0.000 1.897 123 A HA -0.043 4.257 4.320 -0.032 0.000 0.215 123 A C 2.536 180.080 177.584 -0.067 0.000 1.181 123 A CA 1.338 53.332 52.037 -0.071 0.000 0.620 123 A CB -0.502 18.469 19.000 -0.049 0.000 0.821 123 A HN 0.345 nan 8.150 nan 0.000 0.443 124 A N -0.241 122.534 122.820 -0.075 0.000 2.019 124 A HA -0.124 4.176 4.320 -0.032 0.000 0.219 124 A C 2.101 179.647 177.584 -0.064 0.000 1.164 124 A CA 1.468 53.467 52.037 -0.064 0.000 0.644 124 A CB -0.335 18.626 19.000 -0.066 0.000 0.805 124 A HN 0.538 nan 8.150 nan 0.000 0.449 125 R N -0.856 119.596 120.500 -0.081 0.000 2.334 125 R HA 0.098 4.419 4.340 -0.032 0.000 0.216 125 R C -0.225 176.037 176.300 -0.063 0.000 0.905 125 R CA 0.225 56.281 56.100 -0.073 0.000 1.064 125 R CB 0.167 30.410 30.300 -0.095 0.000 1.046 125 R HN 0.477 nan 8.270 nan 0.000 0.508 126 N N 0.803 119.466 118.700 -0.061 0.000 2.725 126 N HA -0.180 4.541 4.740 -0.032 0.000 0.249 126 N C -1.001 174.478 175.510 -0.052 0.000 1.103 126 N CA 0.972 53.993 53.050 -0.049 0.000 0.707 126 N CB -1.517 36.949 38.487 -0.036 0.000 1.043 126 N HN 0.256 nan 8.380 nan 0.000 0.553 127 L N 0.208 121.390 121.223 -0.069 0.000 2.309 127 L HA 0.347 4.668 4.340 -0.032 0.000 0.282 127 L C 0.715 177.552 176.870 -0.054 0.000 1.036 127 L CA -0.867 53.932 54.840 -0.069 0.000 0.806 127 L CB 1.228 43.229 42.059 -0.096 0.000 1.220 127 L HN -0.111 nan 8.230 nan 0.000 0.429 128 D N 1.963 122.343 120.400 -0.034 0.000 2.358 128 D HA -0.004 4.617 4.640 -0.032 0.000 0.258 128 D C 0.819 177.118 176.300 -0.000 0.000 1.223 128 D CA 0.101 54.093 54.000 -0.013 0.000 0.886 128 D CB 1.751 42.547 40.800 -0.006 0.000 1.120 128 D HN 0.303 nan 8.370 nan 0.000 0.482 129 V N 3.885 123.808 119.914 0.016 0.000 2.546 129 V HA -0.259 3.841 4.120 -0.032 0.000 0.254 129 V C 1.969 178.106 176.094 0.072 0.000 1.076 129 V CA 2.817 65.153 62.300 0.060 0.000 1.087 129 V CB -0.457 31.421 31.823 0.092 0.000 0.674 129 V HN 0.726 nan 8.190 nan 0.000 0.470 130 S N -1.320 114.409 115.700 0.048 0.000 2.515 130 S HA -0.040 4.411 4.470 -0.032 0.000 0.231 130 S C 1.655 176.278 174.600 0.038 0.000 0.987 130 S CA 0.762 58.990 58.200 0.046 0.000 0.936 130 S CB -0.283 62.938 63.200 0.036 0.000 0.766 130 S HN 0.725 nan 8.310 nan 0.000 0.528 131 K N 0.836 121.252 120.400 0.027 0.000 2.358 131 K HA 0.291 4.591 4.320 -0.032 0.000 0.197 131 K C -0.711 175.896 176.600 0.012 0.000 1.025 131 K CA -0.033 56.260 56.287 0.009 0.000 1.104 131 K CB 0.883 33.379 32.500 -0.008 0.000 0.855 131 K HN 0.210 nan 8.250 nan 0.000 0.531 132 V N 3.405 123.346 119.914 0.045 0.000 2.348 132 V HA 0.201 4.302 4.120 -0.032 0.000 0.270 132 V C 0.137 176.302 176.094 0.117 0.000 1.037 132 V CA -0.765 61.580 62.300 0.074 0.000 0.872 132 V CB 0.787 32.664 31.823 0.090 0.000 1.002 132 V HN 0.145 nan 8.190 nan 0.000 0.464 133 R N 3.334 123.888 120.500 0.090 0.000 2.410 133 R HA 0.594 4.914 4.340 -0.032 0.000 0.288 133 R C -0.710 175.700 176.300 0.184 0.000 1.051 133 R CA -0.458 55.696 56.100 0.089 0.000 1.021 133 R CB 1.733 32.023 30.300 -0.016 0.000 1.032 133 R HN 0.446 nan 8.270 nan 0.000 0.481 134 V N 1.783 121.808 119.914 0.185 0.000 2.448 134 V HA 0.439 4.539 4.120 -0.032 0.000 0.295 134 V C 0.005 176.250 176.094 0.251 0.000 1.025 134 V CA -1.156 61.295 62.300 0.251 0.000 0.859 134 V CB 1.785 33.705 31.823 0.162 0.000 0.988 134 V HN 0.834 nan 8.190 nan 0.000 0.431 135 A N 7.228 130.281 122.820 0.389 0.000 2.343 135 A HA 0.700 5.000 4.320 -0.032 0.000 0.305 135 A C -2.525 175.262 177.584 0.339 0.000 1.308 135 A CA -1.439 50.838 52.037 0.401 0.000 0.949 135 A CB 0.075 19.487 19.000 0.686 0.000 1.148 135 A HN 0.600 nan 8.150 nan 0.000 0.545 136 P HA 0.379 nan 4.420 nan 0.000 0.280 136 P C -0.735 176.747 177.300 0.303 0.000 1.386 136 P CA 0.207 63.474 63.100 0.278 0.000 0.899 136 P CB 0.399 32.331 31.700 0.387 0.000 1.098 137 L N 1.106 122.485 121.223 0.260 0.000 2.313 137 L HA 0.478 4.799 4.340 -0.032 0.000 0.268 137 L C 0.764 177.751 176.870 0.196 0.000 1.010 137 L CA -1.071 53.916 54.840 0.245 0.000 0.814 137 L CB 1.263 43.445 42.059 0.205 0.000 1.304 137 L HN 0.145 nan 8.230 nan 0.000 0.441 138 S N 0.283 116.110 115.700 0.211 0.000 2.559 138 S HA 0.095 4.546 4.470 -0.032 0.000 0.282 138 S C 0.818 175.507 174.600 0.149 0.000 1.336 138 S CA 0.159 58.443 58.200 0.140 0.000 1.037 138 S CB 1.190 64.517 63.200 0.213 0.000 0.853 138 S HN 0.764 nan 8.310 nan 0.000 0.523 139 A N 1.771 124.627 122.820 0.061 0.000 2.035 139 A HA 0.576 4.876 4.320 -0.032 0.000 0.208 139 A C 1.323 179.055 177.584 0.248 0.000 1.206 139 A CA 0.698 52.746 52.037 0.017 0.000 0.773 139 A CB -1.096 17.829 19.000 -0.125 0.000 0.878 139 A HN 1.730 nan 8.150 nan 0.000 0.469 140 G N -1.461 107.446 108.800 0.179 0.000 2.697 140 G HA2 -0.054 3.887 3.960 -0.032 0.000 0.240 140 G HA3 -0.054 3.887 3.960 -0.032 0.000 0.240 140 G C -0.392 174.459 174.900 -0.082 0.000 1.346 140 G CA -0.188 44.971 45.100 0.097 0.000 0.887 140 G HN 1.110 nan 8.290 nan 0.000 0.569 141 V N 1.153 120.804 119.914 -0.438 0.000 2.409 141 V HA 0.680 4.781 4.120 -0.032 0.000 0.290 141 V C 0.054 175.731 176.094 -0.695 0.000 1.017 141 V CA -0.319 61.760 62.300 -0.368 0.000 0.841 141 V CB 1.013 32.674 31.823 -0.270 0.000 1.003 141 V HN 0.663 nan 8.190 nan 0.000 0.426 142 F N 1.984 121.906 119.950 -0.047 0.000 2.186 142 F HA 0.424 4.933 4.527 -0.030 0.000 0.195 142 F C 1.527 177.185 175.800 -0.236 0.000 1.284 142 F CA -0.350 57.570 58.000 -0.132 0.000 1.259 142 F CB 0.224 39.138 39.000 -0.143 0.000 1.795 142 F HN 0.444 nan 8.300 nan 0.000 0.270 143 E N 0.272 120.289 120.200 -0.306 0.000 2.651 143 E HA 0.095 4.426 4.350 -0.032 0.000 0.208 143 E C -1.414 175.032 176.600 -0.255 0.000 0.997 143 E CA -0.097 56.136 56.400 -0.279 0.000 1.020 143 E CB -0.587 28.978 29.700 -0.224 0.000 1.052 143 E HN 0.462 nan 8.360 nan 0.000 0.465 144 Y N 0.985 121.328 120.300 0.071 0.000 2.804 144 Y HA 0.530 5.061 4.550 -0.032 0.000 0.330 144 Y C 1.535 177.442 175.900 0.011 0.000 1.092 144 Y CA -0.573 57.554 58.100 0.046 0.000 1.315 144 Y CB 1.013 39.497 38.460 0.041 0.000 1.188 144 Y HN 0.135 nan 8.280 nan 0.000 0.512 145 A N 1.823 124.717 122.820 0.123 0.000 2.032 145 A HA -0.223 4.078 4.320 -0.032 0.000 0.221 145 A C 2.093 179.706 177.584 0.048 0.000 1.165 145 A CA 1.953 54.025 52.037 0.058 0.000 0.645 145 A CB -0.233 18.789 19.000 0.037 0.000 0.807 145 A HN 0.692 nan 8.150 nan 0.000 0.453 146 E N 0.566 120.808 120.200 0.070 0.000 2.511 146 E HA -0.111 4.219 4.350 -0.032 0.000 0.196 146 E C 0.934 177.545 176.600 0.018 0.000 1.066 146 E CA 1.009 57.431 56.400 0.036 0.000 0.871 146 E CB -0.369 29.352 29.700 0.036 0.000 0.863 146 E HN 0.772 nan 8.360 nan 0.000 0.520 147 E N 0.662 120.880 120.200 0.031 0.000 2.415 147 E HA 0.102 4.432 4.350 -0.032 0.000 0.197 147 E C 0.111 176.695 176.600 -0.027 0.000 1.007 147 E CA -0.272 56.127 56.400 -0.001 0.000 0.890 147 E CB 0.238 29.949 29.700 0.018 0.000 0.891 147 E HN 0.144 nan 8.360 nan 0.000 0.496 148 R N 0.570 121.055 120.500 -0.026 0.000 2.480 148 R HA 0.108 4.429 4.340 -0.032 0.000 0.303 148 R C 0.920 177.184 176.300 -0.061 0.000 0.985 148 R CA 0.850 56.917 56.100 -0.055 0.000 1.051 148 R CB 0.149 30.417 30.300 -0.053 0.000 0.935 148 R HN 0.302 nan 8.270 nan 0.000 0.410 149 G N 2.179 110.931 108.800 -0.080 0.000 2.217 149 G HA2 -0.250 3.691 3.960 -0.032 0.000 0.246 149 G HA3 -0.250 3.691 3.960 -0.032 0.000 0.246 149 G C -0.009 174.850 174.900 -0.069 0.000 0.990 149 G CA -0.313 44.739 45.100 -0.080 0.000 0.627 149 G HN 0.439 nan 8.290 nan 0.000 0.522 150 R N 0.236 120.698 120.500 -0.063 0.000 2.598 150 R HA 0.607 4.927 4.340 -0.032 0.000 0.279 150 R C 0.191 176.447 176.300 -0.073 0.000 0.984 150 R CA -0.894 55.171 56.100 -0.058 0.000 0.999 150 R CB 0.635 30.907 30.300 -0.048 0.000 1.114 150 R HN 0.303 nan 8.270 nan 0.000 0.493 151 R N 2.139 122.596 120.500 -0.073 0.000 2.230 151 R HA 0.376 4.696 4.340 -0.032 0.000 0.337 151 R C -0.111 176.127 176.300 -0.103 0.000 1.063 151 R CA -0.395 55.644 56.100 -0.102 0.000 0.935 151 R CB 0.500 30.730 30.300 -0.116 0.000 1.121 151 R HN 0.312 nan 8.270 nan 0.000 0.486 152 I N 4.083 124.586 120.570 -0.112 0.000 2.525 152 I HA 0.455 4.606 4.170 -0.032 0.000 0.301 152 I C 0.133 176.172 176.117 -0.130 0.000 0.992 152 I CA -0.952 60.276 61.300 -0.121 0.000 1.162 152 I CB 1.606 39.518 38.000 -0.146 0.000 1.332 152 I HN 0.461 nan 8.210 nan 0.000 0.458 153 L N 4.734 125.884 121.223 -0.121 0.000 2.408 153 L HA 0.521 4.842 4.340 -0.032 0.000 0.268 153 L C -0.311 176.480 176.870 -0.130 0.000 0.986 153 L CA -0.753 54.034 54.840 -0.089 0.000 0.820 153 L CB 2.480 44.526 42.059 -0.022 0.000 1.303 153 L HN 0.531 nan 8.230 nan 0.000 0.411 154 R N 1.363 121.740 120.500 -0.204 0.000 2.460 154 R HA 0.656 4.977 4.340 -0.032 0.000 0.303 154 R C -0.165 176.094 176.300 -0.068 0.000 0.968 154 R CA -0.699 55.219 56.100 -0.304 0.000 0.889 154 R CB 1.961 31.644 30.300 -1.027 0.000 1.123 154 R HN 0.724 nan 8.270 nan 0.000 0.455 155 G N 2.588 111.407 108.800 0.031 0.000 2.452 155 G HA2 0.617 4.557 3.960 -0.032 0.000 0.324 155 G HA3 0.617 4.557 3.960 -0.032 0.000 0.324 155 G C -0.904 174.184 174.900 0.314 0.000 1.214 155 G CA -0.654 44.540 45.100 0.155 0.000 0.947 155 G HN 0.305 nan 8.290 nan 0.000 0.478 156 L N 1.304 122.779 121.223 0.421 0.000 2.362 156 L HA 0.661 4.981 4.340 -0.032 0.000 0.275 156 L C 0.495 177.533 176.870 0.280 0.000 0.998 156 L CA -1.003 54.077 54.840 0.401 0.000 0.820 156 L CB 2.199 44.593 42.059 0.560 0.000 1.270 156 L HN 0.649 nan 8.230 nan 0.000 0.415 157 A N 3.112 125.976 122.820 0.073 0.000 2.327 157 A HA 0.813 5.114 4.320 -0.032 0.000 0.283 157 A C -1.127 176.123 177.584 -0.556 0.000 1.127 157 A CA -0.019 52.004 52.037 -0.023 0.000 0.810 157 A CB 0.294 19.303 19.000 0.015 0.000 1.066 157 A HN 0.505 nan 8.150 nan 0.000 0.492 158 F N 0.757 120.693 119.950 -0.023 0.000 2.581 158 F HA 0.424 4.935 4.527 -0.028 0.000 0.311 158 F C -0.154 175.595 175.800 -0.085 0.000 1.113 158 F CA -0.654 57.281 58.000 -0.109 0.000 0.935 158 F CB 2.262 41.072 39.000 -0.317 0.000 1.232 158 F HN 0.334 nan 8.300 nan 0.000 0.445 159 V N 2.711 122.690 119.914 0.108 0.000 2.509 159 V HA 0.337 4.438 4.120 -0.032 0.000 0.284 159 V C -0.366 175.753 176.094 0.042 0.000 1.047 159 V CA -0.532 61.788 62.300 0.033 0.000 0.952 159 V CB 1.448 33.238 31.823 -0.055 0.000 0.988 159 V HN 0.754 nan 8.190 nan 0.000 0.469 160 Q N 2.740 122.512 119.800 -0.047 0.000 2.401 160 Q HA 0.237 4.557 4.340 -0.032 0.000 0.260 160 Q C 0.206 176.118 176.000 -0.146 0.000 1.034 160 Q CA -0.456 55.277 55.803 -0.116 0.000 0.737 160 Q CB 1.175 29.837 28.738 -0.126 0.000 1.227 160 Q HN 0.806 nan 8.270 nan 0.000 0.488 161 D N 3.144 123.418 120.400 -0.210 0.000 2.218 161 D HA -0.058 4.563 4.640 -0.032 0.000 0.204 161 D C 0.126 176.501 176.300 0.125 0.000 0.976 161 D CA 1.316 55.282 54.000 -0.058 0.000 0.853 161 D CB 0.229 41.056 40.800 0.045 0.000 0.939 161 D HN 0.387 nan 8.370 nan 0.000 0.481 162 F N -4.030 115.909 119.950 -0.018 0.000 2.711 162 F HA 0.371 4.874 4.527 -0.039 0.000 0.313 162 F C -2.512 173.280 175.800 -0.015 0.000 1.141 162 F CA -2.079 55.909 58.000 -0.019 0.000 0.941 162 F CB 0.563 39.546 39.000 -0.028 0.000 1.349 162 F HN -0.423 nan 8.300 nan 0.000 0.464 163 P HA -0.130 nan 4.420 nan 0.000 0.216 163 P C 0.778 178.097 177.300 0.032 0.000 1.153 163 P CA 1.787 64.932 63.100 0.075 0.000 0.858 163 P CB 0.195 31.952 31.700 0.094 0.000 0.789 164 E N -0.628 119.670 120.200 0.163 0.000 2.494 164 E HA -0.000 4.331 4.350 -0.032 0.000 0.193 164 E C 0.092 176.625 176.600 -0.111 0.000 1.074 164 E CA 0.259 56.714 56.400 0.091 0.000 0.867 164 E CB -0.542 29.279 29.700 0.201 0.000 0.924 164 E HN 0.351 nan 8.360 nan 0.000 0.502 165 D N 0.398 120.459 120.400 -0.565 0.000 2.345 165 D HA -0.006 4.614 4.640 -0.032 0.000 0.247 165 D C -0.506 175.571 176.300 -0.372 0.000 1.108 165 D CA -0.009 53.488 54.000 -0.838 0.000 0.894 165 D CB 0.946 40.814 40.800 -1.554 0.000 1.203 165 D HN -0.244 nan 8.370 nan 0.000 0.430 166 S N 2.391 117.940 115.700 -0.252 0.000 2.411 166 S HA 0.412 4.863 4.470 -0.032 0.000 0.304 166 S C 1.063 175.582 174.600 -0.135 0.000 1.098 166 S CA -0.264 57.856 58.200 -0.133 0.000 1.068 166 S CB 0.187 63.334 63.200 -0.088 0.000 1.032 166 S HN 0.514 nan 8.310 nan 0.000 0.511 167 A N 4.823 127.474 122.820 -0.281 0.000 2.070 167 A HA -0.046 4.254 4.320 -0.032 0.000 0.220 167 A C 1.409 178.844 177.584 -0.248 0.000 1.159 167 A CA 0.947 52.833 52.037 -0.253 0.000 0.656 167 A CB -0.720 18.045 19.000 -0.391 0.000 0.800 167 A HN 0.991 nan 8.150 nan 0.000 0.453 168 W N -0.222 121.035 121.300 -0.073 0.000 2.421 168 W HA -0.007 4.638 4.660 -0.024 0.000 0.270 168 W C 2.395 179.031 176.519 0.195 0.000 1.233 168 W CA 0.781 58.077 57.345 -0.082 0.000 1.226 168 W CB -0.149 29.235 29.460 -0.126 0.000 1.121 168 W HN 0.367 nan 8.180 nan 0.000 0.579 169 A N -0.390 122.580 122.820 0.251 0.000 2.168 169 A HA -0.069 4.231 4.320 -0.032 0.000 0.215 169 A C 0.004 177.419 177.584 -0.282 0.000 1.152 169 A CA 0.844 52.944 52.037 0.104 0.000 0.716 169 A CB -0.890 18.019 19.000 -0.151 0.000 0.794 169 A HN 0.470 nan 8.150 nan 0.000 0.465 170 H N -0.376 118.830 119.070 0.227 0.000 2.379 170 H HA 0.289 4.836 4.556 -0.015 0.000 0.229 170 H C -2.880 172.488 175.328 0.068 0.000 1.423 170 H CA -2.048 54.072 56.048 0.121 0.000 1.375 170 H CB 0.261 30.062 29.762 0.066 0.000 1.592 170 H HN 0.237 nan 8.280 nan 0.000 0.507 171 P HA -0.002 nan 4.420 nan 0.000 0.271 171 P C -0.064 177.093 177.300 -0.240 0.000 1.218 171 P CA -0.256 62.687 63.100 -0.262 0.000 0.780 171 P CB 2.045 33.645 31.700 -0.167 0.000 0.901 172 V N 3.441 123.133 119.914 -0.372 0.000 2.259 172 V HA 0.154 4.255 4.120 -0.032 0.000 0.267 172 V C 0.663 176.617 176.094 -0.232 0.000 1.051 172 V CA -0.321 61.842 62.300 -0.230 0.000 0.830 172 V CB 0.333 32.016 31.823 -0.235 0.000 1.080 172 V HN 0.532 nan 8.190 nan 0.000 0.467 173 D N 3.004 123.276 120.400 -0.213 0.000 2.377 173 D HA 0.392 5.012 4.640 -0.032 0.000 0.245 173 D C 1.343 177.575 176.300 -0.113 0.000 1.196 173 D CA 1.372 55.179 54.000 -0.322 0.000 0.962 173 D CB 1.712 42.051 40.800 -0.767 0.000 1.127 173 D HN 0.738 nan 8.370 nan 0.000 0.471 174 G N 0.085 108.820 108.800 -0.109 0.000 2.162 174 G HA2 -0.230 3.711 3.960 -0.032 0.000 0.260 174 G HA3 -0.230 3.711 3.960 -0.032 0.000 0.260 174 G C -0.071 174.877 174.900 0.080 0.000 0.976 174 G CA 0.629 45.839 45.100 0.183 0.000 0.655 174 G HN 0.458 nan 8.290 nan 0.000 0.533 175 L N 0.154 121.387 121.223 0.016 0.000 2.409 175 L HA 0.891 5.212 4.340 -0.032 0.000 0.272 175 L C -0.667 176.273 176.870 0.117 0.000 0.980 175 L CA -1.120 53.726 54.840 0.010 0.000 0.826 175 L CB 2.296 44.273 42.059 -0.137 0.000 1.268 175 L HN 0.543 nan 8.230 nan 0.000 0.407 176 V N 4.367 124.382 119.914 0.170 0.000 2.932 176 V HA 0.967 5.068 4.120 -0.032 0.000 0.307 176 V C -1.146 175.012 176.094 0.107 0.000 1.147 176 V CA 0.226 62.666 62.300 0.233 0.000 0.951 176 V CB 2.036 34.040 31.823 0.303 0.000 1.031 176 V HN 1.109 nan 8.190 nan 0.000 0.426 177 A N 5.305 128.187 122.820 0.104 0.000 2.374 177 A HA 0.954 5.254 4.320 -0.032 0.000 0.317 177 A C -1.942 175.614 177.584 -0.048 0.000 1.094 177 A CA -0.461 51.517 52.037 -0.098 0.000 0.765 177 A CB 1.574 20.450 19.000 -0.207 0.000 1.268 177 A HN 0.821 nan 8.150 nan 0.000 0.438 178 Y N 0.545 120.718 120.300 -0.211 0.000 2.364 178 Y HA 0.594 5.126 4.550 -0.031 0.000 0.340 178 Y C -0.140 175.636 175.900 -0.207 0.000 0.975 178 Y CA -1.624 56.322 58.100 -0.257 0.000 1.089 178 Y CB 1.695 39.968 38.460 -0.313 0.000 1.192 178 Y HN 0.357 nan 8.280 nan 0.000 0.454 179 V N 3.218 123.112 119.914 -0.032 0.000 2.656 179 V HA 0.261 4.362 4.120 -0.032 0.000 0.307 179 V C -0.609 175.443 176.094 -0.071 0.000 1.051 179 V CA -1.036 61.221 62.300 -0.071 0.000 0.893 179 V CB 2.238 34.002 31.823 -0.099 0.000 0.999 179 V HN 0.666 nan 8.190 nan 0.000 0.426 180 D N 3.248 123.610 120.400 -0.063 0.000 2.380 180 D HA 0.165 4.786 4.640 -0.032 0.000 0.230 180 D C 0.955 177.221 176.300 -0.056 0.000 1.154 180 D CA -0.244 53.720 54.000 -0.059 0.000 0.859 180 D CB 1.945 42.717 40.800 -0.047 0.000 1.045 180 D HN 0.432 nan 8.370 nan 0.000 0.495 181 V N 2.575 122.450 119.914 -0.066 0.000 3.380 181 V HA -0.095 4.006 4.120 -0.032 0.000 0.268 181 V C 1.812 177.890 176.094 -0.027 0.000 1.168 181 V CA 1.237 63.501 62.300 -0.059 0.000 1.156 181 V CB -0.704 31.062 31.823 -0.095 0.000 0.785 181 V HN 0.475 nan 8.190 nan 0.000 0.487 182 V N -0.221 119.685 119.914 -0.013 0.000 2.492 182 V HA 0.046 4.146 4.120 -0.032 0.000 0.241 182 V C 2.471 178.562 176.094 -0.006 0.000 1.041 182 V CA 1.699 64.008 62.300 0.015 0.000 1.057 182 V CB -0.418 31.429 31.823 0.040 0.000 0.711 182 V HN 0.611 nan 8.190 nan 0.000 0.468 183 S N -0.303 115.387 115.700 -0.017 0.000 2.561 183 S HA 0.073 4.523 4.470 -0.032 0.000 0.225 183 S C 1.018 175.605 174.600 -0.022 0.000 0.977 183 S CA 0.496 58.684 58.200 -0.020 0.000 0.926 183 S CB -0.737 62.449 63.200 -0.023 0.000 0.769 183 S HN 0.737 nan 8.310 nan 0.000 0.533 184 K N 0.947 121.331 120.400 -0.025 0.000 3.150 184 K HA -0.162 4.139 4.320 -0.032 0.000 0.267 184 K C -0.951 175.627 176.600 -0.037 0.000 1.028 184 K CA 0.922 57.191 56.287 -0.030 0.000 0.753 184 K CB -1.892 30.596 32.500 -0.021 0.000 1.288 184 K HN 0.696 nan 8.250 nan 0.000 0.473 185 E N 0.093 120.268 120.200 -0.042 0.000 2.227 185 E HA 0.378 4.708 4.350 -0.032 0.000 0.268 185 E C -0.413 176.151 176.600 -0.059 0.000 0.907 185 E CA -1.011 55.363 56.400 -0.044 0.000 0.786 185 E CB 2.280 31.958 29.700 -0.036 0.000 1.191 185 E HN -0.053 nan 8.360 nan 0.000 0.411 186 V N 2.865 122.739 119.914 -0.067 0.000 2.353 186 V HA 0.016 4.116 4.120 -0.032 0.000 0.264 186 V C 1.304 177.357 176.094 -0.068 0.000 1.049 186 V CA 0.107 62.355 62.300 -0.087 0.000 0.896 186 V CB 0.571 32.330 31.823 -0.107 0.000 1.025 186 V HN 0.938 nan 8.190 nan 0.000 0.475 187 T N 2.336 116.854 114.554 -0.060 0.000 3.023 187 T HA 0.138 4.469 4.350 -0.032 0.000 0.266 187 T C 0.789 175.438 174.700 -0.085 0.000 1.093 187 T CA 0.413 62.482 62.100 -0.052 0.000 1.129 187 T CB 0.360 69.210 68.868 -0.029 0.000 0.899 187 T HN 0.486 nan 8.240 nan 0.000 0.491 188 R N -0.624 119.789 120.500 -0.146 0.000 2.634 188 R HA 0.575 4.896 4.340 -0.032 0.000 0.263 188 R C -2.460 173.657 176.300 -0.306 0.000 1.060 188 R CA -0.570 55.373 56.100 -0.262 0.000 0.898 188 R CB 2.471 32.510 30.300 -0.435 0.000 1.253 188 R HN 0.085 nan 8.270 nan 0.000 0.461 189 V N 5.237 125.028 119.914 -0.205 0.000 2.447 189 V HA 0.463 4.564 4.120 -0.032 0.000 0.292 189 V C -0.585 175.446 176.094 -0.105 0.000 1.021 189 V CA -0.564 61.682 62.300 -0.091 0.000 0.850 189 V CB 1.717 33.579 31.823 0.066 0.000 1.005 189 V HN 0.561 nan 8.190 nan 0.000 0.426 190 I N 4.251 124.742 120.570 -0.131 0.000 2.354 190 I HA 0.477 4.627 4.170 -0.032 0.000 0.292 190 I C -0.470 175.643 176.117 -0.007 0.000 0.989 190 I CA -0.029 61.224 61.300 -0.077 0.000 1.188 190 I CB 1.595 39.533 38.000 -0.102 0.000 1.342 190 I HN 0.468 nan 8.210 nan 0.000 0.457 191 D N 4.425 124.824 120.400 -0.000 0.000 2.440 191 D HA 0.160 4.780 4.640 -0.032 0.000 0.252 191 D C 0.894 177.210 176.300 0.026 0.000 1.180 191 D CA -0.298 53.706 54.000 0.007 0.000 0.894 191 D CB 1.441 42.229 40.800 -0.020 0.000 1.111 191 D HN 0.647 nan 8.370 nan 0.000 0.544 192 T N 0.211 114.804 114.554 0.064 0.000 3.067 192 T HA 0.411 4.741 4.350 -0.032 0.000 0.261 192 T C 1.002 175.736 174.700 0.056 0.000 1.110 192 T CA 0.383 62.528 62.100 0.076 0.000 1.113 192 T CB 0.386 69.328 68.868 0.124 0.000 0.917 192 T HN 0.509 nan 8.240 nan 0.000 0.499 193 G N -0.028 108.807 108.800 0.059 0.000 2.352 193 G HA2 0.375 4.315 3.960 -0.032 0.000 0.305 193 G HA3 0.375 4.315 3.960 -0.032 0.000 0.305 193 G C -1.473 173.429 174.900 0.003 0.000 1.537 193 G CA -0.788 44.296 45.100 -0.027 0.000 0.959 193 G HN 0.215 nan 8.290 nan 0.000 0.668 194 V N 0.619 120.482 119.914 -0.085 0.000 2.583 194 V HA 0.656 4.756 4.120 -0.032 0.000 0.287 194 V C -0.309 175.703 176.094 -0.137 0.000 1.051 194 V CA 0.190 62.465 62.300 -0.042 0.000 1.010 194 V CB 0.816 32.600 31.823 -0.065 0.000 0.988 194 V HN 0.531 nan 8.190 nan 0.000 0.478 195 F N 3.868 123.785 119.950 -0.054 0.000 2.565 195 F HA 0.558 5.058 4.527 -0.045 0.000 0.313 195 F C -2.052 173.725 175.800 -0.039 0.000 1.091 195 F CA -2.252 55.721 58.000 -0.044 0.000 0.915 195 F CB 1.806 40.779 39.000 -0.045 0.000 1.208 195 F HN 0.338 nan 8.300 nan 0.000 0.453 196 P HA 0.136 nan 4.420 nan 0.000 0.267 196 P C -0.976 176.384 177.300 0.099 0.000 1.200 196 P CA -0.188 62.966 63.100 0.090 0.000 0.772 196 P CB 0.558 32.304 31.700 0.076 0.000 0.855 197 V N 5.599 125.552 119.914 0.065 0.000 2.406 197 V HA 0.207 4.308 4.120 -0.032 0.000 0.272 197 V C -1.944 174.212 176.094 0.104 0.000 1.043 197 V CA -1.656 60.683 62.300 0.065 0.000 0.915 197 V CB 0.759 32.601 31.823 0.032 0.000 0.988 197 V HN 0.563 nan 8.190 nan 0.000 0.466 198 P HA 0.046 nan 4.420 nan 0.000 0.260 198 P C 0.460 177.923 177.300 0.271 0.000 1.185 198 P CA 0.343 63.529 63.100 0.143 0.000 0.763 198 P CB 0.827 32.575 31.700 0.081 0.000 0.776 199 A N 3.949 126.892 122.820 0.204 0.000 1.975 199 A HA -0.041 4.259 4.320 -0.032 0.000 0.215 199 A C 0.791 178.552 177.584 0.295 0.000 1.170 199 A CA 0.608 52.782 52.037 0.228 0.000 0.656 199 A CB -0.450 18.628 19.000 0.129 0.000 0.821 199 A HN 0.547 nan 8.150 nan 0.000 0.449 200 E N 0.743 121.075 120.200 0.219 0.000 2.413 200 E HA 0.209 4.539 4.350 -0.032 0.000 0.263 200 E C -0.277 176.479 176.600 0.261 0.000 1.015 200 E CA -0.003 56.515 56.400 0.198 0.000 0.916 200 E CB 0.278 30.046 29.700 0.113 0.000 0.947 200 E HN 0.764 nan 8.360 nan 0.000 0.440 201 H N -0.540 118.683 119.070 0.255 0.000 2.551 201 H HA 0.428 4.962 4.556 -0.037 0.000 0.358 201 H C 0.406 175.815 175.328 0.135 0.000 1.151 201 H CA -0.739 55.434 56.048 0.208 0.000 1.374 201 H CB 1.146 31.044 29.762 0.227 0.000 1.473 201 H HN 0.496 nan 8.280 nan 0.000 0.574 202 G N 2.368 111.225 108.800 0.095 0.000 4.757 202 G HA2 0.061 4.002 3.960 -0.032 0.000 0.303 202 G HA3 0.061 4.002 3.960 -0.032 0.000 0.303 202 G C -0.718 174.102 174.900 -0.133 0.000 1.318 202 G CA -0.741 44.266 45.100 -0.155 0.000 1.020 202 G HN 0.656 nan 8.290 nan 0.000 0.589 203 N N 1.662 120.495 118.700 0.222 0.000 2.482 203 N HA 0.113 4.834 4.740 -0.032 0.000 0.242 203 N C 0.771 176.216 175.510 -0.108 0.000 1.100 203 N CA -0.494 52.510 53.050 -0.077 0.000 0.946 203 N CB 0.680 39.173 38.487 0.010 0.000 1.227 203 N HN 0.551 nan 8.380 nan 0.000 0.508 204 Y N -0.322 119.965 120.300 -0.021 0.000 2.680 204 Y HA -0.014 4.517 4.550 -0.031 0.000 0.303 204 Y C 1.577 177.476 175.900 -0.003 0.000 1.166 204 Y CA 0.263 58.338 58.100 -0.041 0.000 1.344 204 Y CB -0.691 37.703 38.460 -0.110 0.000 1.002 204 Y HN 0.299 nan 8.280 nan 0.000 0.537 205 T N -4.365 110.164 114.554 -0.042 0.000 3.044 205 T HA 0.077 4.408 4.350 -0.032 0.000 0.260 205 T C 0.030 174.737 174.700 0.010 0.000 1.019 205 T CA -0.245 61.867 62.100 0.020 0.000 0.921 205 T CB -0.075 68.790 68.868 -0.006 0.000 1.053 205 T HN 0.173 nan 8.240 nan 0.000 0.533 206 D N 2.843 123.252 120.400 0.014 0.000 2.325 206 D HA 0.264 4.885 4.640 -0.032 0.000 0.251 206 D C -1.747 174.584 176.300 0.052 0.000 1.196 206 D CA -2.448 51.562 54.000 0.016 0.000 0.866 206 D CB 1.851 42.649 40.800 -0.003 0.000 1.101 206 D HN -0.014 nan 8.370 nan 0.000 0.476 207 P HA -0.159 nan 4.420 nan 0.000 0.222 207 P C 0.811 178.142 177.300 0.050 0.000 1.142 207 P CA 1.032 64.152 63.100 0.034 0.000 0.788 207 P CB 0.214 31.923 31.700 0.016 0.000 0.767 208 E N -1.161 119.079 120.200 0.067 0.000 2.285 208 E HA -0.100 4.231 4.350 -0.032 0.000 0.194 208 E C 1.660 178.339 176.600 0.131 0.000 0.997 208 E CA 0.695 57.152 56.400 0.095 0.000 0.845 208 E CB -0.931 28.832 29.700 0.105 0.000 0.782 208 E HN 0.153 nan 8.360 nan 0.000 0.491 209 L N 0.534 121.852 121.223 0.158 0.000 2.388 209 L HA 0.154 4.474 4.340 -0.032 0.000 0.209 209 L C 2.225 179.142 176.870 0.079 0.000 1.061 209 L CA 1.633 56.548 54.840 0.125 0.000 0.834 209 L CB -0.250 41.906 42.059 0.161 0.000 1.029 209 L HN 0.355 nan 8.230 nan 0.000 0.473 210 T N -2.679 111.922 114.554 0.078 0.000 2.896 210 T HA 0.401 4.731 4.350 -0.032 0.000 0.263 210 T C 1.205 175.931 174.700 0.043 0.000 1.050 210 T CA 0.548 62.682 62.100 0.057 0.000 1.140 210 T CB -0.687 68.215 68.868 0.057 0.000 0.877 210 T HN 0.703 nan 8.240 nan 0.000 0.457 211 G N 1.843 110.669 108.800 0.043 0.000 2.698 211 G HA2 -0.005 3.935 3.960 -0.032 0.000 0.225 211 G HA3 -0.005 3.935 3.960 -0.032 0.000 0.225 211 G C -2.895 172.022 174.900 0.027 0.000 1.345 211 G CA -0.735 44.385 45.100 0.033 0.000 0.871 211 G HN 0.552 nan 8.290 nan 0.000 0.540 212 P HA 0.438 nan 4.420 nan 0.000 0.267 212 P C 0.161 177.471 177.300 0.017 0.000 1.205 212 P CA -0.463 62.648 63.100 0.017 0.000 0.765 212 P CB 0.523 32.232 31.700 0.014 0.000 0.828 213 L N 4.028 125.261 121.223 0.016 0.000 2.439 213 L HA 0.133 4.453 4.340 -0.032 0.000 0.269 213 L C 1.154 178.031 176.870 0.012 0.000 1.179 213 L CA 0.279 55.128 54.840 0.015 0.000 0.828 213 L CB -0.102 41.966 42.059 0.015 0.000 1.106 213 L HN 0.320 nan 8.230 nan 0.000 0.467 214 R N 0.839 121.345 120.500 0.010 0.000 2.623 214 R HA 0.138 4.459 4.340 -0.032 0.000 0.271 214 R C 0.434 176.738 176.300 0.007 0.000 1.043 214 R CA 0.717 56.821 56.100 0.007 0.000 1.083 214 R CB 0.154 30.457 30.300 0.005 0.000 0.974 214 R HN 0.778 nan 8.270 nan 0.000 0.436 215 T N -3.474 111.083 114.554 0.005 0.000 3.145 215 T HA 0.008 4.339 4.350 -0.032 0.000 0.281 215 T C 1.250 175.953 174.700 0.004 0.000 1.003 215 T CA -0.042 62.061 62.100 0.005 0.000 0.901 215 T CB 0.410 69.281 68.868 0.005 0.000 1.112 215 T HN 0.672 nan 8.240 nan 0.000 0.535 216 T N -0.927 113.629 114.554 0.003 0.000 3.054 216 T HA 0.166 4.497 4.350 -0.032 0.000 0.259 216 T C 0.802 175.502 174.700 0.001 0.000 1.092 216 T CA -0.023 62.078 62.100 0.001 0.000 1.121 216 T CB -0.320 68.548 68.868 0.001 0.000 0.912 216 T HN 0.363 nan 8.240 nan 0.000 0.489 217 Q N 1.651 121.452 119.800 0.001 0.000 2.281 217 Q HA 0.336 4.657 4.340 -0.032 0.000 0.267 217 Q C -0.734 175.267 176.000 0.002 0.000 1.053 217 Q CA -0.075 55.729 55.803 0.001 0.000 0.905 217 Q CB 0.655 29.393 28.738 0.001 0.000 1.195 217 Q HN 0.173 nan 8.270 nan 0.000 0.398 218 K N 3.479 123.880 120.400 0.002 0.000 2.098 218 K HA 0.350 4.651 4.320 -0.032 0.000 0.261 218 K C -2.205 174.398 176.600 0.004 0.000 0.987 218 K CA -1.579 54.710 56.287 0.003 0.000 0.916 218 K CB 0.558 33.059 32.500 0.002 0.000 1.039 218 K HN 0.388 nan 8.250 nan 0.000 0.455 219 P HA 0.173 nan 4.420 nan 0.000 0.271 219 P C -0.751 176.555 177.300 0.009 0.000 1.216 219 P CA 0.029 63.134 63.100 0.008 0.000 0.776 219 P CB 0.542 32.248 31.700 0.010 0.000 0.881 220 I N 1.492 122.070 120.570 0.012 0.000 2.354 220 I HA 0.123 4.274 4.170 -0.032 0.000 0.286 220 I C 0.540 176.668 176.117 0.020 0.000 1.007 220 I CA -0.466 60.843 61.300 0.015 0.000 1.167 220 I CB 1.459 39.468 38.000 0.015 0.000 1.320 220 I HN 0.293 nan 8.210 nan 0.000 0.458 221 S N 7.877 123.589 115.700 0.020 0.000 2.410 221 S HA 0.581 5.031 4.470 -0.032 0.000 0.304 221 S C -0.456 174.163 174.600 0.031 0.000 1.095 221 S CA -0.478 57.736 58.200 0.024 0.000 1.089 221 S CB 0.120 63.332 63.200 0.021 0.000 0.968 221 S HN 0.427 nan 8.310 nan 0.000 0.480 222 I N 5.466 126.059 120.570 0.038 0.000 2.355 222 I HA 0.385 4.536 4.170 -0.032 0.000 0.288 222 I C 0.287 176.433 176.117 0.049 0.000 0.999 222 I CA -0.378 60.952 61.300 0.051 0.000 1.163 222 I CB 1.712 39.752 38.000 0.066 0.000 1.316 222 I HN 0.638 nan 8.210 nan 0.000 0.454 223 T N 1.832 116.416 114.554 0.049 0.000 2.883 223 T HA 0.512 4.843 4.350 -0.032 0.000 0.296 223 T C -0.746 173.984 174.700 0.050 0.000 1.117 223 T CA -0.953 61.173 62.100 0.044 0.000 1.006 223 T CB 2.185 71.073 68.868 0.033 0.000 1.191 223 T HN 0.492 nan 8.240 nan 0.000 0.508 224 Q N 1.500 121.326 119.800 0.043 0.000 2.616 224 Q HA 0.276 4.596 4.340 -0.032 0.000 0.250 224 Q C -1.952 174.063 176.000 0.025 0.000 0.991 224 Q CA -1.979 53.849 55.803 0.041 0.000 0.707 224 Q CB 2.080 30.847 28.738 0.048 0.000 1.247 224 Q HN 0.573 nan 8.270 nan 0.000 0.491 225 P HA -0.131 nan 4.420 nan 0.000 0.231 225 P C 0.084 177.390 177.300 0.010 0.000 1.158 225 P CA 1.087 64.197 63.100 0.016 0.000 0.763 225 P CB 0.513 32.223 31.700 0.017 0.000 0.805 226 E N -0.906 119.299 120.200 0.009 0.000 2.676 226 E HA 0.361 4.691 4.350 -0.032 0.000 0.222 226 E C 0.624 177.217 176.600 -0.012 0.000 0.968 226 E CA -0.018 56.383 56.400 0.001 0.000 1.090 226 E CB 0.783 30.486 29.700 0.005 0.000 1.066 226 E HN 0.190 nan 8.360 nan 0.000 0.496 227 G N 2.730 111.521 108.800 -0.016 0.000 2.757 227 G HA2 -0.188 3.753 3.960 -0.032 0.000 0.638 227 G HA3 -0.188 3.753 3.960 -0.032 0.000 0.638 227 G C -2.709 172.152 174.900 -0.064 0.000 1.344 227 G CA -0.793 44.279 45.100 -0.048 0.000 0.855 227 G HN -0.011 nan 8.290 nan 0.000 0.537 228 P HA 0.359 nan 4.420 nan 0.000 0.274 228 P C 0.528 177.736 177.300 -0.153 0.000 1.256 228 P CA 0.154 63.117 63.100 -0.228 0.000 0.795 228 P CB 1.086 32.326 31.700 -0.768 0.000 1.038 229 S N -0.777 114.958 115.700 0.058 0.000 2.535 229 S HA 0.168 4.618 4.470 -0.032 0.000 0.214 229 S C 0.591 175.366 174.600 0.291 0.000 0.980 229 S CA -0.094 58.211 58.200 0.174 0.000 0.907 229 S CB -0.670 62.690 63.200 0.266 0.000 0.790 229 S HN 0.536 nan 8.310 nan 0.000 0.510 230 F N 2.008 122.157 119.950 0.332 0.000 2.440 230 F HA 0.773 5.281 4.527 -0.032 0.000 0.328 230 F C 0.121 176.010 175.800 0.148 0.000 1.070 230 F CA -1.099 57.077 58.000 0.293 0.000 1.011 230 F CB 0.316 39.472 39.000 0.261 0.000 1.226 230 F HN -0.144 nan 8.300 nan 0.000 0.491 231 T N -0.361 114.371 114.554 0.297 0.000 2.856 231 T HA 0.724 5.054 4.350 -0.032 0.000 0.283 231 T C -1.087 173.763 174.700 0.249 0.000 1.008 231 T CA -0.818 61.385 62.100 0.172 0.000 0.997 231 T CB 1.454 70.402 68.868 0.132 0.000 0.992 231 T HN 0.659 nan 8.240 nan 0.000 0.454 232 V N 3.461 123.495 119.914 0.200 0.000 2.378 232 V HA 0.681 4.782 4.120 -0.032 0.000 0.288 232 V C 0.410 176.596 176.094 0.155 0.000 1.016 232 V CA -0.659 61.758 62.300 0.195 0.000 0.840 232 V CB 1.033 32.975 31.823 0.199 0.000 0.994 232 V HN 1.269 nan 8.190 nan 0.000 0.431 233 T N 0.197 114.859 114.554 0.180 0.000 2.907 233 T HA 0.686 5.017 4.350 -0.032 0.000 0.292 233 T C 0.793 175.587 174.700 0.156 0.000 1.043 233 T CA -0.047 62.145 62.100 0.153 0.000 1.003 233 T CB 1.790 70.753 68.868 0.158 0.000 1.084 233 T HN 1.728 nan 8.240 nan 0.000 0.483 234 G N 0.004 108.867 108.800 0.104 0.000 2.225 234 G HA2 0.109 4.049 3.960 -0.032 0.000 0.267 234 G HA3 0.109 4.049 3.960 -0.032 0.000 0.267 234 G C 1.348 176.307 174.900 0.099 0.000 1.024 234 G CA 0.926 46.080 45.100 0.089 0.000 0.784 234 G HN 2.391 nan 8.290 nan 0.000 0.507 235 G N 0.046 108.904 108.800 0.096 0.000 2.609 235 G HA2 -0.319 3.621 3.960 -0.032 0.000 0.235 235 G HA3 -0.319 3.621 3.960 -0.032 0.000 0.235 235 G C 0.937 175.898 174.900 0.101 0.000 1.177 235 G CA 1.374 46.527 45.100 0.089 0.000 0.707 235 G HN 2.234 nan 8.290 nan 0.000 0.513 236 N N -0.338 118.435 118.700 0.121 0.000 2.307 236 N HA 0.120 4.840 4.740 -0.032 0.000 0.248 236 N C -0.306 175.282 175.510 0.131 0.000 1.322 236 N CA 0.094 53.211 53.050 0.112 0.000 0.861 236 N CB -0.327 38.223 38.487 0.105 0.000 1.303 236 N HN 0.609 nan 8.380 nan 0.000 0.498 237 H N 1.632 120.746 119.070 0.073 0.000 2.556 237 H HA 0.321 4.858 4.556 -0.032 0.000 0.310 237 H C -0.791 174.589 175.328 0.087 0.000 1.057 237 H CA -0.389 55.701 56.048 0.069 0.000 1.264 237 H CB 0.969 30.773 29.762 0.070 0.000 1.404 237 H HN -0.017 nan 8.280 nan 0.000 0.462 238 I N 4.638 124.978 120.570 -0.382 0.000 2.359 238 I HA 0.206 4.357 4.170 -0.032 0.000 0.294 238 I C 0.181 176.184 176.117 -0.190 0.000 0.987 238 I CA -0.641 60.555 61.300 -0.174 0.000 1.225 238 I CB 1.530 39.446 38.000 -0.140 0.000 1.366 238 I HN 0.540 nan 8.210 nan 0.000 0.466 239 E N 5.604 125.846 120.200 0.070 0.000 2.185 239 E HA 0.303 4.634 4.350 -0.032 0.000 0.261 239 E C -1.628 175.160 176.600 0.313 0.000 0.879 239 E CA -0.385 56.105 56.400 0.150 0.000 0.756 239 E CB 2.661 32.457 29.700 0.160 0.000 1.152 239 E HN 0.641 nan 8.360 nan 0.000 0.416 240 W N 3.602 124.969 121.300 0.112 0.000 3.132 240 W HA 0.148 4.788 4.660 -0.032 0.000 0.337 240 W C -0.358 176.260 176.519 0.167 0.000 1.082 240 W CA -0.459 56.980 57.345 0.156 0.000 1.242 240 W CB 0.962 30.506 29.460 0.141 0.000 1.354 240 W HN 0.311 nan 8.180 nan 0.000 0.461 241 E N 5.759 125.616 120.200 -0.570 0.000 2.149 241 E HA -0.325 4.006 4.350 -0.032 0.000 0.191 241 E C 0.506 176.805 176.600 -0.502 0.000 1.384 241 E CA 1.861 57.849 56.400 -0.686 0.000 0.698 241 E CB -1.031 27.857 29.700 -1.355 0.000 1.086 241 E HN 0.900 nan 8.360 nan 0.000 0.338 242 K N -3.684 116.466 120.400 -0.417 0.000 3.609 242 K HA -0.240 4.061 4.320 -0.032 0.000 0.277 242 K C 0.137 176.322 176.600 -0.692 0.000 1.196 242 K CA 1.716 57.611 56.287 -0.653 0.000 1.022 242 K CB -1.311 30.536 32.500 -1.089 0.000 1.292 242 K HN 0.283 nan 8.250 nan 0.000 0.484 243 W N 1.275 122.366 121.300 -0.349 0.000 2.283 243 W HA 0.491 5.132 4.660 -0.032 0.000 0.341 243 W C 0.592 177.091 176.519 -0.033 0.000 1.206 243 W CA -0.213 57.071 57.345 -0.102 0.000 1.294 243 W CB 1.558 31.096 29.460 0.130 0.000 1.154 243 W HN -0.033 nan 8.180 nan 0.000 0.613 244 S N 3.207 119.084 115.700 0.295 0.000 2.546 244 S HA 0.813 5.264 4.470 -0.032 0.000 0.272 244 S C -1.164 173.462 174.600 0.043 0.000 1.140 244 S CA -0.732 57.531 58.200 0.106 0.000 0.920 244 S CB 0.202 63.492 63.200 0.150 0.000 1.083 244 S HN 0.564 nan 8.310 nan 0.000 0.476 245 L N 0.999 122.121 121.223 -0.168 0.000 2.940 245 L HA 0.759 5.080 4.340 -0.032 0.000 0.270 245 L C -2.112 174.641 176.870 -0.195 0.000 1.030 245 L CA -1.061 53.694 54.840 -0.143 0.000 0.928 245 L CB 1.688 43.659 42.059 -0.146 0.000 1.506 245 L HN 0.412 nan 8.230 nan 0.000 0.405 246 D N 1.314 121.669 120.400 -0.074 0.000 2.505 246 D HA 0.487 5.108 4.640 -0.032 0.000 0.249 246 D C -0.871 175.443 176.300 0.023 0.000 1.082 246 D CA -0.283 53.738 54.000 0.035 0.000 0.839 246 D CB 3.293 44.160 40.800 0.112 0.000 1.317 246 D HN 0.357 nan 8.370 nan 0.000 0.497 247 V N 2.163 122.093 119.914 0.027 0.000 2.334 247 V HA 0.467 4.567 4.120 -0.032 0.000 0.267 247 V C 0.932 177.088 176.094 0.103 0.000 1.040 247 V CA -0.400 61.899 62.300 -0.001 0.000 0.866 247 V CB 1.078 32.883 31.823 -0.030 0.000 1.019 247 V HN 0.600 nan 8.190 nan 0.000 0.468 248 G N 3.080 111.964 108.800 0.139 0.000 2.511 248 G HA2 0.682 4.623 3.960 -0.032 0.000 0.316 248 G HA3 0.682 4.623 3.960 -0.032 0.000 0.316 248 G C -1.471 173.514 174.900 0.141 0.000 1.210 248 G CA -0.465 44.761 45.100 0.210 0.000 0.969 248 G HN 0.487 nan 8.290 nan 0.000 0.492 249 F N 0.138 120.071 119.950 -0.027 0.000 2.607 249 F HA 0.458 4.966 4.527 -0.033 0.000 0.322 249 F C -1.203 174.546 175.800 -0.085 0.000 1.176 249 F CA -0.899 57.034 58.000 -0.111 0.000 0.977 249 F CB 2.360 41.283 39.000 -0.128 0.000 1.242 249 F HN 0.524 nan 8.300 nan 0.000 0.465 250 D N 3.585 123.663 120.400 -0.537 0.000 2.340 250 D HA 0.313 4.934 4.640 -0.032 0.000 0.240 250 D C 0.227 176.262 176.300 -0.443 0.000 1.001 250 D CA -0.531 53.297 54.000 -0.287 0.000 0.888 250 D CB 2.438 43.158 40.800 -0.134 0.000 1.310 250 D HN 0.354 nan 8.370 nan 0.000 0.474 251 V N 3.554 123.383 119.914 -0.140 0.000 2.626 251 V HA -0.067 4.033 4.120 -0.032 0.000 0.252 251 V C 2.068 178.128 176.094 -0.057 0.000 1.067 251 V CA 1.955 64.206 62.300 -0.082 0.000 1.081 251 V CB -0.393 31.406 31.823 -0.041 0.000 0.686 251 V HN 0.603 nan 8.190 nan 0.000 0.468 252 R N -0.365 120.156 120.500 0.036 0.000 2.055 252 R HA -0.030 4.291 4.340 -0.032 0.000 0.221 252 R C 2.197 178.453 176.300 -0.073 0.000 1.154 252 R CA 1.577 57.681 56.100 0.006 0.000 0.975 252 R CB -0.204 30.060 30.300 -0.060 0.000 0.869 252 R HN 0.559 nan 8.270 nan 0.000 0.437 253 E N -0.419 119.717 120.200 -0.107 0.000 2.299 253 E HA 0.115 4.446 4.350 -0.032 0.000 0.193 253 E C 0.760 177.162 176.600 -0.329 0.000 0.998 253 E CA 0.417 56.740 56.400 -0.128 0.000 0.851 253 E CB 0.402 30.073 29.700 -0.048 0.000 0.795 253 E HN 0.573 nan 8.360 nan 0.000 0.492 254 G N 0.748 109.132 108.800 -0.693 0.000 2.488 254 G HA2 -0.293 3.647 3.960 -0.032 0.000 0.237 254 G HA3 -0.293 3.647 3.960 -0.032 0.000 0.237 254 G C -0.109 174.094 174.900 -1.162 0.000 1.209 254 G CA -0.366 43.930 45.100 -1.340 0.000 0.929 254 G HN 0.104 nan 8.290 nan 0.000 0.578 255 V N 0.652 120.054 119.914 -0.854 0.000 2.599 255 V HA 0.406 4.506 4.120 -0.032 0.000 0.300 255 V C 0.841 176.818 176.094 -0.195 0.000 1.034 255 V CA 0.270 62.420 62.300 -0.250 0.000 1.115 255 V CB 0.913 32.805 31.823 0.115 0.000 0.934 255 V HN 0.909 nan 8.190 nan 0.000 0.485 256 V N 6.567 126.324 119.914 -0.262 0.000 2.656 256 V HA 0.500 4.600 4.120 -0.032 0.000 0.307 256 V C -0.255 175.506 176.094 -0.556 0.000 1.051 256 V CA -0.666 61.391 62.300 -0.405 0.000 0.893 256 V CB 1.991 33.595 31.823 -0.364 0.000 0.999 256 V HN 0.612 nan 8.190 nan 0.000 0.426 257 L N 4.728 125.503 121.223 -0.748 0.000 2.307 257 L HA 0.642 4.963 4.340 -0.032 0.000 0.284 257 L C -0.541 175.909 176.870 -0.700 0.000 1.023 257 L CA -0.583 53.852 54.840 -0.674 0.000 0.810 257 L CB 1.280 42.879 42.059 -0.767 0.000 1.231 257 L HN 0.627 nan 8.230 nan 0.000 0.423 258 H N 3.476 122.370 119.070 -0.294 0.000 2.569 258 H HA 0.288 4.824 4.556 -0.032 0.000 0.357 258 H C -0.267 174.845 175.328 -0.359 0.000 1.153 258 H CA -0.778 55.061 56.048 -0.349 0.000 1.193 258 H CB 1.858 31.337 29.762 -0.470 0.000 1.602 258 H HN 0.556 nan 8.280 nan 0.000 0.523 259 N N 1.338 119.893 118.700 -0.242 0.000 2.688 259 N HA -0.201 4.520 4.740 -0.032 0.000 0.258 259 N C -0.328 175.122 175.510 -0.101 0.000 1.016 259 N CA 0.494 53.424 53.050 -0.199 0.000 0.747 259 N CB -1.318 37.014 38.487 -0.259 0.000 0.895 259 N HN 0.546 nan 8.380 nan 0.000 0.543 260 I N 0.482 120.992 120.570 -0.100 0.000 2.517 260 I HA 0.252 4.403 4.170 -0.032 0.000 0.285 260 I C 1.004 177.182 176.117 0.101 0.000 1.106 260 I CA 0.198 61.501 61.300 0.005 0.000 1.402 260 I CB 0.514 38.487 38.000 -0.045 0.000 1.399 260 I HN 0.383 nan 8.210 nan 0.000 0.535 261 A N 6.896 129.849 122.820 0.222 0.000 2.556 261 A HA 0.780 5.081 4.320 -0.032 0.000 0.294 261 A C -1.598 176.159 177.584 0.288 0.000 1.091 261 A CA -0.439 51.723 52.037 0.209 0.000 0.704 261 A CB 1.534 20.605 19.000 0.118 0.000 1.300 261 A HN 0.509 nan 8.150 nan 0.000 0.406 262 F N 0.553 120.517 119.950 0.023 0.000 2.518 262 F HA 0.578 5.086 4.527 -0.033 0.000 0.323 262 F C 0.416 176.229 175.800 0.022 0.000 1.129 262 F CA -0.397 57.544 58.000 -0.098 0.000 0.920 262 F CB 1.783 40.650 39.000 -0.222 0.000 1.160 262 F HN 0.610 nan 8.300 nan 0.000 0.440 263 R N 3.916 124.401 120.500 -0.024 0.000 2.325 263 R HA 0.099 4.419 4.340 -0.032 0.000 0.323 263 R C -0.882 175.530 176.300 0.185 0.000 1.177 263 R CA -0.166 55.967 56.100 0.055 0.000 1.018 263 R CB -0.183 30.091 30.300 -0.044 0.000 1.070 263 R HN 0.518 nan 8.270 nan 0.000 0.495 264 D N 3.871 124.456 120.400 0.309 0.000 2.522 264 D HA 0.194 4.815 4.640 -0.032 0.000 0.218 264 D C 1.012 177.410 176.300 0.164 0.000 1.149 264 D CA 0.958 55.162 54.000 0.340 0.000 0.981 264 D CB 0.452 41.438 40.800 0.312 0.000 1.041 264 D HN 0.752 nan 8.370 nan 0.000 0.518 265 G N 4.723 113.595 108.800 0.121 0.000 2.889 265 G HA2 -0.410 3.531 3.960 -0.032 0.000 0.308 265 G HA3 -0.410 3.531 3.960 -0.032 0.000 0.308 265 G C 0.970 175.897 174.900 0.045 0.000 1.248 265 G CA 0.613 45.753 45.100 0.067 0.000 0.982 265 G HN 0.543 nan 8.290 nan 0.000 0.571 266 D N 2.131 122.554 120.400 0.037 0.000 2.144 266 D HA -0.010 4.610 4.640 -0.032 0.000 0.207 266 D C 1.566 177.883 176.300 0.028 0.000 0.970 266 D CA 1.293 55.308 54.000 0.025 0.000 0.853 266 D CB -0.347 40.463 40.800 0.016 0.000 1.007 266 D HN 0.928 nan 8.370 nan 0.000 0.469 267 R N 0.357 120.875 120.500 0.030 0.000 2.500 267 R HA 0.442 4.763 4.340 -0.032 0.000 0.277 267 R C -0.027 176.304 176.300 0.052 0.000 1.026 267 R CA -0.860 55.257 56.100 0.029 0.000 1.058 267 R CB 1.440 31.745 30.300 0.009 0.000 1.078 267 R HN 0.104 nan 8.270 nan 0.000 0.509 268 L N 3.840 125.093 121.223 0.050 0.000 2.259 268 L HA 0.341 4.661 4.340 -0.032 0.000 0.288 268 L C -0.550 176.363 176.870 0.071 0.000 1.051 268 L CA -0.574 54.308 54.840 0.071 0.000 0.824 268 L CB 0.594 42.690 42.059 0.061 0.000 1.206 268 L HN 0.730 nan 8.230 nan 0.000 0.429 269 R N 5.698 126.266 120.500 0.112 0.000 2.297 269 R HA 0.441 4.761 4.340 -0.032 0.000 0.308 269 R C -2.387 173.997 176.300 0.140 0.000 1.029 269 R CA -1.714 54.451 56.100 0.108 0.000 0.929 269 R CB 0.777 31.142 30.300 0.108 0.000 1.046 269 R HN 0.460 nan 8.270 nan 0.000 0.461 270 P HA 0.167 nan 4.420 nan 0.000 0.278 270 P C -0.149 177.138 177.300 -0.021 0.000 1.238 270 P CA -0.001 63.085 63.100 -0.023 0.000 0.794 270 P CB 0.903 32.510 31.700 -0.154 0.000 0.955 271 I N 0.950 121.447 120.570 -0.122 0.000 3.746 271 I HA 0.251 4.401 4.170 -0.032 0.000 0.262 271 I C 0.378 176.339 176.117 -0.260 0.000 1.153 271 I CA 0.298 61.423 61.300 -0.291 0.000 1.395 271 I CB 0.309 38.020 38.000 -0.480 0.000 1.589 271 I HN 0.131 nan 8.210 nan 0.000 0.441 272 I N 1.449 121.900 120.570 -0.198 0.000 2.499 272 I HA 0.178 4.328 4.170 -0.032 0.000 0.288 272 I C 0.586 176.598 176.117 -0.175 0.000 1.048 272 I CA -0.260 60.931 61.300 -0.181 0.000 1.062 272 I CB 2.065 39.967 38.000 -0.163 0.000 1.238 272 I HN 0.141 nan 8.210 nan 0.000 0.426 273 N N 5.442 124.048 118.700 -0.157 0.000 2.250 273 N HA 0.032 4.753 4.740 -0.032 0.000 0.181 273 N C 0.514 175.955 175.510 -0.116 0.000 1.017 273 N CA 0.925 53.911 53.050 -0.107 0.000 0.866 273 N CB 0.582 39.097 38.487 0.046 0.000 0.985 273 N HN 0.551 nan 8.380 nan 0.000 0.429 274 R N -0.078 120.333 120.500 -0.149 0.000 2.535 274 R HA 0.477 4.798 4.340 -0.032 0.000 0.274 274 R C -2.069 174.059 176.300 -0.288 0.000 1.090 274 R CA -0.499 55.463 56.100 -0.229 0.000 0.930 274 R CB 1.903 32.130 30.300 -0.122 0.000 1.223 274 R HN 0.059 nan 8.270 nan 0.000 0.441 275 A N 2.267 124.829 122.820 -0.430 0.000 2.343 275 A HA 0.729 5.029 4.320 -0.032 0.000 0.308 275 A C -1.036 176.257 177.584 -0.484 0.000 1.092 275 A CA -0.439 51.327 52.037 -0.452 0.000 0.751 275 A CB 1.541 20.106 19.000 -0.724 0.000 1.203 275 A HN 0.807 nan 8.150 nan 0.000 0.452 276 S N 1.414 117.021 115.700 -0.154 0.000 2.588 276 S HA 0.660 5.111 4.470 -0.032 0.000 0.269 276 S C -1.152 173.558 174.600 0.183 0.000 1.157 276 S CA -0.725 57.476 58.200 0.001 0.000 0.824 276 S CB 0.864 64.002 63.200 -0.103 0.000 1.126 276 S HN 0.558 nan 8.310 nan 0.000 0.464 277 I N 2.265 122.962 120.570 0.213 0.000 2.291 277 I HA 0.396 4.547 4.170 -0.032 0.000 0.290 277 I C 1.332 177.544 176.117 0.159 0.000 1.050 277 I CA -0.445 60.977 61.300 0.204 0.000 1.245 277 I CB 0.364 38.563 38.000 0.333 0.000 1.405 277 I HN 0.995 nan 8.210 nan 0.000 0.478 278 A N 5.198 128.094 122.820 0.126 0.000 2.169 278 A HA 0.101 4.402 4.320 -0.032 0.000 0.212 278 A C 0.772 178.416 177.584 0.101 0.000 1.153 278 A CA 0.881 53.010 52.037 0.153 0.000 0.756 278 A CB 0.130 19.241 19.000 0.184 0.000 0.813 278 A HN 0.661 nan 8.150 nan 0.000 0.471 279 E N -1.970 118.222 120.200 -0.013 0.000 2.416 279 E HA 0.587 4.918 4.350 -0.032 0.000 0.280 279 E C -1.304 175.265 176.600 -0.051 0.000 1.055 279 E CA -0.393 55.953 56.400 -0.091 0.000 0.825 279 E CB 0.926 30.387 29.700 -0.398 0.000 1.312 279 E HN 0.143 nan 8.360 nan 0.000 0.452 280 M N 3.366 122.943 119.600 -0.038 0.000 2.272 280 M HA 0.350 4.811 4.480 -0.032 0.000 0.240 280 M C -1.767 174.373 176.300 -0.266 0.000 0.991 280 M CA -0.637 54.512 55.300 -0.250 0.000 1.008 280 M CB 0.962 33.352 32.600 -0.350 0.000 2.221 280 M HN 0.367 nan 8.290 nan 0.000 0.469 281 V N 2.941 122.658 119.914 -0.327 0.000 2.617 281 V HA 0.695 4.795 4.120 -0.032 0.000 0.298 281 V C -0.156 175.641 176.094 -0.495 0.000 1.048 281 V CA -0.747 61.250 62.300 -0.506 0.000 0.964 281 V CB 1.510 32.947 31.823 -0.642 0.000 1.004 281 V HN 0.596 nan 8.190 nan 0.000 0.466 282 V N 4.652 124.331 119.914 -0.392 0.000 2.383 282 V HA 0.335 4.435 4.120 -0.032 0.000 0.264 282 V C -2.390 173.581 176.094 -0.205 0.000 1.001 282 V CA -1.130 60.916 62.300 -0.424 0.000 0.828 282 V CB 1.256 32.801 31.823 -0.463 0.000 1.069 282 V HN 0.814 nan 8.190 nan 0.000 0.451 283 P HA 0.369 nan 4.420 nan 0.000 0.284 283 P C -1.370 175.811 177.300 -0.198 0.000 1.253 283 P CA -0.337 62.695 63.100 -0.114 0.000 0.800 283 P CB 1.276 32.884 31.700 -0.154 0.000 0.961 284 Y N 0.277 120.557 120.300 -0.033 0.000 2.361 284 Y HA 0.479 5.011 4.550 -0.031 0.000 0.332 284 Y C 1.689 177.595 175.900 0.010 0.000 1.101 284 Y CA 0.181 58.286 58.100 0.008 0.000 1.137 284 Y CB 1.530 39.957 38.460 -0.055 0.000 1.207 284 Y HN 0.484 nan 8.280 nan 0.000 0.463 285 G N 1.106 109.974 108.800 0.115 0.000 3.605 285 G HA2 -0.010 3.931 3.960 -0.032 0.000 0.277 285 G HA3 -0.010 3.931 3.960 -0.032 0.000 0.277 285 G C -0.594 174.364 174.900 0.098 0.000 1.093 285 G CA -0.176 44.988 45.100 0.108 0.000 0.821 285 G HN 0.506 nan 8.290 nan 0.000 0.532 286 D N 1.390 121.842 120.400 0.087 0.000 2.316 286 D HA 0.216 4.837 4.640 -0.032 0.000 0.245 286 D C -1.208 175.091 176.300 -0.001 0.000 1.171 286 D CA -2.296 51.715 54.000 0.019 0.000 0.856 286 D CB 2.241 43.057 40.800 0.026 0.000 1.090 286 D HN 0.060 nan 8.370 nan 0.000 0.476 287 P HA -0.016 nan 4.420 nan 0.000 0.245 287 P C 0.320 177.622 177.300 0.003 0.000 1.212 287 P CA -0.104 63.000 63.100 0.007 0.000 0.774 287 P CB 0.202 31.914 31.700 0.020 0.000 0.999 288 S N 2.473 118.167 115.700 -0.010 0.000 2.549 288 S HA 0.125 4.576 4.470 -0.032 0.000 0.283 288 S C -0.953 173.659 174.600 0.020 0.000 1.320 288 S CA -1.220 56.984 58.200 0.006 0.000 1.058 288 S CB 0.280 63.468 63.200 -0.020 0.000 0.882 288 S HN 0.030 nan 8.310 nan 0.000 0.498 289 P HA -0.107 nan 4.420 nan 0.000 0.223 289 P C 1.311 178.753 177.300 0.237 0.000 1.144 289 P CA 0.747 63.934 63.100 0.146 0.000 0.783 289 P CB -0.063 31.727 31.700 0.151 0.000 0.771 290 I N -0.397 120.270 120.570 0.162 0.000 2.546 290 I HA -0.076 4.075 4.170 -0.032 0.000 0.255 290 I C 2.129 178.359 176.117 0.189 0.000 1.163 290 I CA 1.248 62.683 61.300 0.224 0.000 1.457 290 I CB -1.019 37.030 38.000 0.082 0.000 1.092 290 I HN 0.038 nan 8.210 nan 0.000 0.434 291 R N -0.601 119.820 120.500 -0.131 0.000 2.539 291 R HA 0.099 4.420 4.340 -0.032 0.000 0.342 291 R C 1.890 177.760 176.300 -0.716 0.000 0.941 291 R CA 0.443 56.197 56.100 -0.578 0.000 1.146 291 R CB 0.354 30.475 30.300 -0.299 0.000 1.541 291 R HN 0.256 nan 8.270 nan 0.000 0.525 292 S N 0.723 116.189 115.700 -0.391 0.000 2.537 292 S HA -0.115 4.336 4.470 -0.032 0.000 0.240 292 S C 1.352 175.746 174.600 -0.343 0.000 0.981 292 S CA 0.477 58.523 58.200 -0.256 0.000 0.948 292 S CB -0.383 62.759 63.200 -0.096 0.000 0.759 292 S HN 0.590 nan 8.310 nan 0.000 0.531 293 W N 0.518 121.647 121.300 -0.286 0.000 3.211 293 W HA 0.386 5.024 4.660 -0.037 0.000 0.292 293 W C 0.456 176.986 176.519 0.019 0.000 1.268 293 W CA -0.672 56.367 57.345 -0.510 0.000 1.702 293 W CB -0.589 28.462 29.460 -0.682 0.000 1.092 293 W HN 0.252 nan 8.180 nan 0.000 0.643 294 Q N 2.933 122.281 119.800 -0.753 0.000 2.263 294 Q HA 0.061 4.381 4.340 -0.032 0.000 0.270 294 Q C -0.784 175.248 176.000 0.054 0.000 1.104 294 Q CA 0.787 56.261 55.803 -0.548 0.000 0.909 294 Q CB 0.067 28.205 28.738 -1.000 0.000 1.214 294 Q HN 0.026 nan 8.270 nan 0.000 0.400 295 N N 4.645 123.484 118.700 0.231 0.000 2.599 295 N HA 0.113 4.833 4.740 -0.032 0.000 0.283 295 N C -1.867 173.876 175.510 0.388 0.000 1.160 295 N CA -0.400 52.831 53.050 0.302 0.000 0.869 295 N CB 0.921 39.606 38.487 0.330 0.000 1.448 295 N HN 0.403 nan 8.380 nan 0.000 0.535 296 Y N 0.897 121.280 120.300 0.139 0.000 2.316 296 Y HA 0.355 4.885 4.550 -0.034 0.000 0.331 296 Y C 0.259 176.241 175.900 0.138 0.000 1.083 296 Y CA -0.314 57.927 58.100 0.234 0.000 1.206 296 Y CB 0.522 38.983 38.460 0.002 0.000 1.195 296 Y HN 0.347 nan 8.280 nan 0.000 0.497 297 F N 2.878 123.084 119.950 0.427 0.000 2.319 297 F HA 0.237 4.744 4.527 -0.033 0.000 0.356 297 F C 0.710 176.725 175.800 0.359 0.000 1.100 297 F CA -0.881 57.285 58.000 0.278 0.000 1.220 297 F CB 0.343 39.468 39.000 0.208 0.000 1.506 297 F HN 0.538 nan 8.300 nan 0.000 0.512 298 D N -0.125 120.492 120.400 0.361 0.000 2.158 298 D HA -0.186 4.435 4.640 -0.032 0.000 0.197 298 D C 1.979 178.496 176.300 0.362 0.000 0.995 298 D CA 1.885 56.079 54.000 0.322 0.000 0.846 298 D CB 0.080 40.950 40.800 0.116 0.000 0.941 298 D HN 0.374 nan 8.370 nan 0.000 0.456 299 T N -1.036 113.668 114.554 0.250 0.000 2.852 299 T HA 0.042 4.372 4.350 -0.032 0.000 0.256 299 T C 2.050 176.814 174.700 0.106 0.000 1.038 299 T CA 1.084 63.282 62.100 0.163 0.000 1.141 299 T CB -0.550 68.374 68.868 0.094 0.000 0.869 299 T HN 0.269 nan 8.240 nan 0.000 0.439 300 G N 1.157 110.024 108.800 0.111 0.000 2.394 300 G HA2 -0.099 3.842 3.960 -0.032 0.000 0.215 300 G HA3 -0.099 3.842 3.960 -0.032 0.000 0.215 300 G C 1.447 176.367 174.900 0.033 0.000 1.165 300 G CA 0.475 45.559 45.100 -0.026 0.000 0.784 300 G HN 0.484 nan 8.290 nan 0.000 0.535 301 E N -0.925 119.386 120.200 0.185 0.000 2.102 301 E HA 0.075 4.406 4.350 -0.032 0.000 0.190 301 E C 1.924 178.586 176.600 0.102 0.000 0.971 301 E CA 0.464 56.919 56.400 0.091 0.000 0.821 301 E CB 0.004 29.744 29.700 0.066 0.000 0.777 301 E HN 0.615 nan 8.360 nan 0.000 0.460 302 Y N 0.157 120.650 120.300 0.323 0.000 2.509 302 Y HA 0.253 4.783 4.550 -0.033 0.000 0.270 302 Y C 0.040 176.217 175.900 0.462 0.000 1.103 302 Y CA -0.188 58.194 58.100 0.470 0.000 1.278 302 Y CB 0.486 39.236 38.460 0.482 0.000 1.087 302 Y HN -0.171 nan 8.280 nan 0.000 0.542 303 L N 0.871 122.347 121.223 0.421 0.000 2.827 303 L HA -0.204 4.116 4.340 -0.032 0.000 0.637 303 L C 1.058 178.089 176.870 0.268 0.000 1.007 303 L CA -0.025 54.957 54.840 0.237 0.000 1.336 303 L CB -1.374 40.767 42.059 0.136 0.000 1.826 303 L HN 0.194 nan 8.230 nan 0.000 0.871 304 V N 0.114 120.175 119.914 0.245 0.000 2.490 304 V HA -0.081 4.020 4.120 -0.032 0.000 0.250 304 V C 2.140 178.374 176.094 0.232 0.000 1.061 304 V CA 2.113 64.594 62.300 0.302 0.000 1.064 304 V CB -0.432 31.538 31.823 0.244 0.000 0.670 304 V HN 0.881 nan 8.190 nan 0.000 0.461 305 G N -0.699 108.093 108.800 -0.013 0.000 2.422 305 G HA2 -0.270 3.671 3.960 -0.032 0.000 0.218 305 G HA3 -0.270 3.671 3.960 -0.032 0.000 0.218 305 G C 1.554 176.545 174.900 0.152 0.000 1.140 305 G CA 0.844 45.890 45.100 -0.090 0.000 0.775 305 G HN 0.623 nan 8.290 nan 0.000 0.545 306 Q N -0.607 119.179 119.800 -0.023 0.000 2.124 306 Q HA -0.126 4.194 4.340 -0.032 0.000 0.202 306 Q C 1.027 176.894 176.000 -0.220 0.000 0.977 306 Q CA 1.083 56.753 55.803 -0.221 0.000 0.850 306 Q CB -0.133 28.275 28.738 -0.550 0.000 0.901 306 Q HN 0.626 nan 8.270 nan 0.000 0.429 307 Y N -0.293 120.165 120.300 0.263 0.000 2.625 307 Y HA 0.443 4.974 4.550 -0.031 0.000 0.285 307 Y C 0.256 176.335 175.900 0.299 0.000 1.168 307 Y CA -0.319 57.938 58.100 0.261 0.000 1.250 307 Y CB -0.170 38.446 38.460 0.260 0.000 1.130 307 Y HN 0.059 nan 8.280 nan 0.000 0.526 308 A N 0.956 124.027 122.820 0.419 0.000 2.477 308 A HA 0.178 4.479 4.320 -0.032 0.000 0.246 308 A C 0.291 178.077 177.584 0.337 0.000 1.078 308 A CA -0.452 51.867 52.037 0.470 0.000 0.770 308 A CB 0.036 19.326 19.000 0.483 0.000 1.011 308 A HN 0.347 nan 8.150 nan 0.000 0.494 309 N N 0.828 119.736 118.700 0.346 0.000 2.424 309 N HA 0.253 4.973 4.740 -0.032 0.000 0.257 309 N C -0.408 175.202 175.510 0.167 0.000 1.250 309 N CA -0.057 53.134 53.050 0.235 0.000 0.946 309 N CB 0.769 39.389 38.487 0.221 0.000 1.175 309 N HN 0.485 nan 8.380 nan 0.000 0.477 310 S N 0.975 116.730 115.700 0.093 0.000 2.415 310 S HA 0.316 4.767 4.470 -0.032 0.000 0.313 310 S C 0.347 174.953 174.600 0.009 0.000 1.067 310 S CA -0.651 57.563 58.200 0.023 0.000 1.099 310 S CB -0.219 62.976 63.200 -0.009 0.000 0.991 310 S HN 0.243 nan 8.310 nan 0.000 0.491 311 L N 2.910 124.149 121.223 0.027 0.000 2.499 311 L HA 0.235 4.555 4.340 -0.032 0.000 0.273 311 L C 0.582 177.437 176.870 -0.025 0.000 1.195 311 L CA -0.138 54.736 54.840 0.056 0.000 0.882 311 L CB 0.132 42.317 42.059 0.210 0.000 1.133 311 L HN 0.397 nan 8.230 nan 0.000 0.483 312 E N 2.300 122.508 120.200 0.014 0.000 2.197 312 E HA 0.336 4.667 4.350 -0.032 0.000 0.281 312 E C -0.771 175.876 176.600 0.078 0.000 0.995 312 E CA -0.750 55.654 56.400 0.007 0.000 0.808 312 E CB 1.543 31.241 29.700 -0.002 0.000 1.093 312 E HN 0.258 nan 8.360 nan 0.000 0.394 313 L N 3.148 124.433 121.223 0.104 0.000 2.513 313 L HA 0.271 4.591 4.340 -0.032 0.000 0.272 313 L C 1.356 178.271 176.870 0.075 0.000 1.187 313 L CA 1.927 56.857 54.840 0.150 0.000 0.895 313 L CB 0.168 42.322 42.059 0.158 0.000 1.147 313 L HN 0.760 nan 8.230 nan 0.000 0.483 314 G N 2.004 110.839 108.800 0.058 0.000 2.253 314 G HA2 -0.329 3.612 3.960 -0.032 0.000 0.251 314 G HA3 -0.329 3.612 3.960 -0.032 0.000 0.251 314 G C 0.863 175.776 174.900 0.022 0.000 0.998 314 G CA 0.398 45.518 45.100 0.032 0.000 0.621 314 G HN 0.751 nan 8.290 nan 0.000 0.524 315 C N -0.563 118.750 119.300 0.023 0.000 2.406 315 C HA 0.334 4.774 4.460 -0.032 0.000 0.343 315 C C 2.125 177.113 174.990 -0.003 0.000 1.397 315 C CA 1.183 60.203 59.018 0.004 0.000 2.069 315 C CB -0.223 27.513 27.740 -0.006 0.000 2.374 315 C HN 0.502 nan 8.230 nan 0.000 0.545 316 D N -0.334 120.075 120.400 0.015 0.000 2.262 316 D HA 0.095 4.715 4.640 -0.032 0.000 0.212 316 D C 0.081 176.422 176.300 0.068 0.000 0.964 316 D CA 1.000 55.014 54.000 0.023 0.000 0.875 316 D CB 0.321 41.142 40.800 0.035 0.000 0.996 316 D HN 0.375 nan 8.370 nan 0.000 0.497 317 c N 1.778 120.409 118.600 0.052 0.000 2.442 317 c HA 0.440 4.990 4.570 -0.032 0.000 0.335 317 c C -0.473 173.568 174.090 -0.082 0.000 1.134 317 c CA -1.100 55.200 56.329 -0.047 0.000 1.344 317 c CB 0.814 43.274 42.510 -0.084 0.000 1.956 317 c HN 0.154 nan 8.230 nan 0.000 0.438 318 L N 4.297 125.465 121.223 -0.093 0.000 2.307 318 L HA 0.938 5.258 4.340 -0.032 0.000 0.282 318 L C 0.557 177.389 176.870 -0.064 0.000 1.051 318 L CA 1.844 56.658 54.840 -0.043 0.000 0.804 318 L CB 0.808 42.872 42.059 0.007 0.000 1.197 318 L HN 1.079 nan 8.230 nan 0.000 0.431 319 G N 3.523 112.312 108.800 -0.018 0.000 2.378 319 G HA2 -0.132 3.808 3.960 -0.032 0.000 0.198 319 G HA3 -0.132 3.808 3.960 -0.032 0.000 0.198 319 G C -1.129 173.777 174.900 0.010 0.000 1.223 319 G CA -0.213 44.899 45.100 0.020 0.000 1.088 319 G HN 0.737 nan 8.290 nan 0.000 0.530 320 D N 1.474 121.903 120.400 0.048 0.000 2.441 320 D HA 0.427 5.048 4.640 -0.032 0.000 0.221 320 D C 0.348 176.674 176.300 0.044 0.000 1.156 320 D CA -0.245 53.779 54.000 0.039 0.000 0.896 320 D CB 0.043 40.873 40.800 0.050 0.000 1.028 320 D HN 0.378 nan 8.370 nan 0.000 0.509 321 I N 2.034 122.571 120.570 -0.054 0.000 2.498 321 I HA 0.274 4.425 4.170 -0.032 0.000 0.301 321 I C 0.666 176.680 176.117 -0.171 0.000 0.984 321 I CA -0.543 60.651 61.300 -0.177 0.000 1.204 321 I CB 1.578 39.273 38.000 -0.508 0.000 1.362 321 I HN 0.130 nan 8.210 nan 0.000 0.471 322 T N 5.280 119.761 114.554 -0.122 0.000 2.847 322 T HA 0.497 4.827 4.350 -0.032 0.000 0.291 322 T C -0.650 173.988 174.700 -0.104 0.000 0.998 322 T CA -0.317 61.780 62.100 -0.005 0.000 0.967 322 T CB 0.484 69.509 68.868 0.261 0.000 0.954 322 T HN 0.168 nan 8.240 nan 0.000 0.441 323 Y N 2.053 122.408 120.300 0.092 0.000 2.376 323 Y HA 0.646 5.176 4.550 -0.032 0.000 0.325 323 Y C 0.299 176.224 175.900 0.042 0.000 1.199 323 Y CA -1.289 56.847 58.100 0.059 0.000 1.206 323 Y CB 0.939 39.422 38.460 0.038 0.000 1.229 323 Y HN 0.364 nan 8.280 nan 0.000 0.480 324 L N 1.515 122.862 121.223 0.207 0.000 2.362 324 L HA 0.458 4.779 4.340 -0.032 0.000 0.275 324 L C -0.647 176.235 176.870 0.021 0.000 0.998 324 L CA -0.597 54.296 54.840 0.088 0.000 0.820 324 L CB 1.876 43.964 42.059 0.047 0.000 1.270 324 L HN 0.560 nan 8.230 nan 0.000 0.415 325 S N 3.972 119.659 115.700 -0.021 0.000 2.475 325 S HA 0.333 4.783 4.470 -0.032 0.000 0.249 325 S C -2.244 172.276 174.600 -0.133 0.000 1.298 325 S CA -1.063 57.086 58.200 -0.086 0.000 1.125 325 S CB 0.550 63.718 63.200 -0.053 0.000 1.054 325 S HN 0.403 nan 8.310 nan 0.000 0.484 326 P HA 0.285 nan 4.420 nan 0.000 0.272 326 P C -0.798 176.383 177.300 -0.198 0.000 1.240 326 P CA -0.373 62.559 63.100 -0.279 0.000 0.791 326 P CB 0.759 32.069 31.700 -0.649 0.000 0.978 327 V N 2.821 122.685 119.914 -0.083 0.000 2.495 327 V HA 0.449 4.549 4.120 -0.032 0.000 0.298 327 V C 0.647 176.753 176.094 0.020 0.000 1.031 327 V CA -0.589 61.693 62.300 -0.030 0.000 0.871 327 V CB 1.170 32.992 31.823 -0.002 0.000 0.988 327 V HN 0.509 nan 8.190 nan 0.000 0.432 328 I N 1.032 121.612 120.570 0.017 0.000 3.264 328 I HA 0.847 4.998 4.170 -0.032 0.000 0.309 328 I C -0.072 176.046 176.117 0.003 0.000 1.099 328 I CA -0.628 60.691 61.300 0.032 0.000 0.989 328 I CB 2.266 40.296 38.000 0.051 0.000 1.250 328 I HN 0.517 nan 8.210 nan 0.000 0.478 329 S N 0.588 116.274 115.700 -0.022 0.000 2.608 329 S HA 0.449 4.899 4.470 -0.032 0.000 0.291 329 S C -0.706 173.881 174.600 -0.023 0.000 1.146 329 S CA -0.549 57.634 58.200 -0.029 0.000 1.043 329 S CB 0.918 64.082 63.200 -0.060 0.000 1.037 329 S HN 0.827 nan 8.310 nan 0.000 0.520 330 D N 1.967 122.368 120.400 0.001 0.000 2.539 330 D HA 0.484 5.104 4.640 -0.032 0.000 0.276 330 D C 1.117 177.370 176.300 -0.077 0.000 1.206 330 D CA -0.211 53.790 54.000 0.002 0.000 1.081 330 D CB 0.035 40.883 40.800 0.079 0.000 1.142 330 D HN 0.476 nan 8.370 nan 0.000 0.595 331 A N -1.261 121.433 122.820 -0.210 0.000 2.172 331 A HA 0.009 4.310 4.320 -0.032 0.000 0.216 331 A C 1.250 178.442 177.584 -0.652 0.000 1.154 331 A CA 0.737 52.486 52.037 -0.481 0.000 0.701 331 A CB -0.903 17.678 19.000 -0.698 0.000 0.789 331 A HN 0.448 nan 8.150 nan 0.000 0.465 332 F N -1.778 118.184 119.950 0.020 0.000 2.682 332 F HA 0.410 4.917 4.527 -0.033 0.000 0.308 332 F C 1.683 177.480 175.800 -0.005 0.000 1.093 332 F CA 0.157 58.163 58.000 0.010 0.000 1.244 332 F CB 0.281 39.287 39.000 0.009 0.000 1.052 332 F HN 0.278 nan 8.300 nan 0.000 0.573 333 G N 0.676 109.528 108.800 0.086 0.000 2.157 333 G HA2 -0.290 3.650 3.960 -0.032 0.000 0.239 333 G HA3 -0.290 3.650 3.960 -0.032 0.000 0.239 333 G C -0.106 174.813 174.900 0.031 0.000 0.982 333 G CA -0.320 44.799 45.100 0.033 0.000 0.650 333 G HN 0.396 nan 8.290 nan 0.000 0.527 334 N N 2.282 121.026 118.700 0.074 0.000 2.499 334 N HA 0.519 5.239 4.740 -0.032 0.000 0.281 334 N C -2.180 173.345 175.510 0.025 0.000 1.098 334 N CA -1.115 51.964 53.050 0.049 0.000 0.979 334 N CB 1.527 40.061 38.487 0.078 0.000 1.121 334 N HN 0.134 nan 8.380 nan 0.000 0.466 335 P HA 0.102 nan 4.420 nan 0.000 0.271 335 P C -1.010 176.296 177.300 0.011 0.000 1.216 335 P CA -0.015 63.084 63.100 -0.001 0.000 0.776 335 P CB 0.921 32.614 31.700 -0.011 0.000 0.881 336 R N 1.697 122.202 120.500 0.009 0.000 2.532 336 R HA 0.259 4.580 4.340 -0.032 0.000 0.297 336 R C -0.547 175.750 176.300 -0.006 0.000 0.984 336 R CA -0.577 55.530 56.100 0.012 0.000 0.884 336 R CB 1.536 31.851 30.300 0.024 0.000 1.182 336 R HN 0.481 nan 8.270 nan 0.000 0.442 337 E N 5.324 125.516 120.200 -0.013 0.000 2.216 337 E HA 0.209 4.540 4.350 -0.032 0.000 0.279 337 E C -0.756 175.816 176.600 -0.046 0.000 0.997 337 E CA -0.576 55.801 56.400 -0.038 0.000 0.817 337 E CB 1.022 30.703 29.700 -0.032 0.000 1.096 337 E HN 0.557 nan 8.360 nan 0.000 0.393 338 I N 5.316 125.830 120.570 -0.092 0.000 2.313 338 I HA 0.225 4.376 4.170 -0.032 0.000 0.286 338 I C 0.678 176.734 176.117 -0.101 0.000 1.091 338 I CA -0.435 60.812 61.300 -0.088 0.000 1.216 338 I CB 0.477 38.390 38.000 -0.145 0.000 1.434 338 I HN 0.321 nan 8.210 nan 0.000 0.487 339 R N 5.934 126.391 120.500 -0.071 0.000 2.522 339 R HA -0.013 4.308 4.340 -0.032 0.000 0.284 339 R C 0.146 176.370 176.300 -0.127 0.000 1.032 339 R CA 0.243 56.289 56.100 -0.089 0.000 1.049 339 R CB 0.272 30.527 30.300 -0.076 0.000 0.956 339 R HN 0.614 nan 8.270 nan 0.000 0.422 340 N N 2.223 120.824 118.700 -0.166 0.000 2.727 340 N HA -0.171 4.549 4.740 -0.032 0.000 0.249 340 N C 0.507 175.977 175.510 -0.067 0.000 1.048 340 N CA 1.178 54.061 53.050 -0.278 0.000 0.714 340 N CB -1.228 36.848 38.487 -0.685 0.000 0.959 340 N HN 0.887 nan 8.380 nan 0.000 0.544 341 G N -1.150 107.634 108.800 -0.027 0.000 2.777 341 G HA2 0.303 4.243 3.960 -0.032 0.000 0.211 341 G HA3 0.303 4.243 3.960 -0.032 0.000 0.211 341 G C 0.472 175.446 174.900 0.123 0.000 1.149 341 G CA 0.177 45.288 45.100 0.017 0.000 0.785 341 G HN 0.431 nan 8.290 nan 0.000 0.536 342 I N 0.249 120.909 120.570 0.150 0.000 2.499 342 I HA 0.299 4.450 4.170 -0.032 0.000 0.288 342 I C -0.768 175.497 176.117 0.247 0.000 1.048 342 I CA -0.906 60.514 61.300 0.200 0.000 1.062 342 I CB 2.512 40.578 38.000 0.109 0.000 1.238 342 I HN -0.209 nan 8.210 nan 0.000 0.426 343 c N 6.969 125.686 118.600 0.195 0.000 2.365 343 c HA 0.680 5.231 4.570 -0.032 0.000 0.351 343 c C 0.045 174.149 174.090 0.023 0.000 1.240 343 c CA -0.450 55.918 56.329 0.065 0.000 2.062 343 c CB 0.523 43.087 42.510 0.091 0.000 2.387 343 c HN 0.644 nan 8.230 nan 0.000 0.537 344 M N 6.096 125.669 119.600 -0.045 0.000 2.213 344 M HA 0.461 4.922 4.480 -0.032 0.000 0.286 344 M C -0.795 175.504 176.300 -0.002 0.000 1.008 344 M CA -0.189 55.032 55.300 -0.131 0.000 0.937 344 M CB 1.708 34.166 32.600 -0.236 0.000 1.600 344 M HN 0.919 nan 8.290 nan 0.000 0.450 345 H N 1.049 119.941 119.070 -0.297 0.000 3.037 345 H HA 0.482 5.018 4.556 -0.032 0.000 0.336 345 H C -2.003 173.221 175.328 -0.173 0.000 1.323 345 H CA -1.026 54.990 56.048 -0.054 0.000 1.159 345 H CB 1.083 30.860 29.762 0.024 0.000 1.882 345 H HN 0.761 nan 8.280 nan 0.000 0.535 346 E N 1.644 121.833 120.200 -0.018 0.000 2.204 346 E HA 0.498 4.828 4.350 -0.032 0.000 0.276 346 E C -0.809 175.764 176.600 -0.044 0.000 0.974 346 E CA -0.909 55.380 56.400 -0.184 0.000 0.815 346 E CB 2.353 32.123 29.700 0.118 0.000 1.119 346 E HN 0.723 nan 8.360 nan 0.000 0.393 347 E N 2.252 122.397 120.200 -0.091 0.000 2.343 347 E HA 0.235 4.565 4.350 -0.032 0.000 0.270 347 E C -1.038 175.657 176.600 0.160 0.000 0.895 347 E CA -1.028 55.411 56.400 0.065 0.000 0.767 347 E CB 1.527 31.264 29.700 0.063 0.000 1.248 347 E HN 0.543 nan 8.360 nan 0.000 0.440 348 D N 1.629 122.150 120.400 0.201 0.000 2.455 348 D HA -0.079 4.542 4.640 -0.032 0.000 0.241 348 D C -0.875 175.642 176.300 0.361 0.000 1.138 348 D CA 0.147 54.285 54.000 0.229 0.000 0.877 348 D CB 0.581 41.470 40.800 0.149 0.000 1.187 348 D HN 0.618 nan 8.370 nan 0.000 0.451 349 W N 5.257 126.601 121.300 0.074 0.000 1.658 349 W HA 0.302 4.942 4.660 -0.033 0.000 0.325 349 W C 0.422 176.973 176.519 0.054 0.000 0.833 349 W CA 0.125 57.513 57.345 0.073 0.000 2.665 349 W CB 0.131 29.689 29.460 0.163 0.000 1.615 349 W HN 0.815 nan 8.180 nan 0.000 0.589 350 G N 1.911 110.685 108.800 -0.042 0.000 2.528 350 G HA2 -0.321 3.620 3.960 -0.032 0.000 0.262 350 G HA3 -0.321 3.620 3.960 -0.032 0.000 0.262 350 G C -0.498 174.390 174.900 -0.019 0.000 1.200 350 G CA 0.016 45.051 45.100 -0.108 0.000 0.951 350 G HN 0.035 nan 8.290 nan 0.000 0.566 351 I N 1.544 122.088 120.570 -0.044 0.000 2.365 351 I HA 0.339 4.489 4.170 -0.032 0.000 0.291 351 I C 1.455 177.593 176.117 0.034 0.000 1.004 351 I CA -0.211 61.086 61.300 -0.004 0.000 1.311 351 I CB 0.958 38.945 38.000 -0.021 0.000 1.401 351 I HN 0.645 nan 8.210 nan 0.000 0.491 352 L N 6.360 127.621 121.223 0.063 0.000 2.200 352 L HA 0.492 4.813 4.340 -0.032 0.000 0.200 352 L C 0.616 177.535 176.870 0.081 0.000 1.072 352 L CA 1.040 55.935 54.840 0.092 0.000 0.787 352 L CB 0.127 42.253 42.059 0.111 0.000 0.957 352 L HN 0.681 nan 8.230 nan 0.000 0.459 353 A N -0.317 122.559 122.820 0.094 0.000 2.547 353 A HA 0.668 4.969 4.320 -0.032 0.000 0.297 353 A C -1.074 176.617 177.584 0.179 0.000 1.056 353 A CA -0.589 51.537 52.037 0.149 0.000 0.688 353 A CB 1.163 20.310 19.000 0.245 0.000 1.282 353 A HN 0.082 nan 8.150 nan 0.000 0.400 354 K N 1.070 121.582 120.400 0.187 0.000 2.543 354 K HA 0.580 4.881 4.320 -0.032 0.000 0.255 354 K C -2.196 174.546 176.600 0.237 0.000 0.934 354 K CA -0.528 55.878 56.287 0.199 0.000 0.810 354 K CB 1.774 34.328 32.500 0.091 0.000 1.315 354 K HN 1.039 nan 8.250 nan 0.000 0.433 355 H N 0.289 119.430 119.070 0.118 0.000 3.129 355 H HA 0.365 4.902 4.556 -0.032 0.000 0.342 355 H C -1.925 173.424 175.328 0.035 0.000 1.092 355 H CA -0.353 55.717 56.048 0.037 0.000 1.310 355 H CB 1.918 31.671 29.762 -0.016 0.000 1.932 355 H HN 0.411 nan 8.280 nan 0.000 0.507 356 S N 4.085 119.497 115.700 -0.480 0.000 2.532 356 S HA 0.171 4.621 4.470 -0.032 0.000 0.318 356 S C -0.807 173.346 174.600 -0.745 0.000 1.083 356 S CA -0.642 57.308 58.200 -0.417 0.000 1.131 356 S CB 0.385 63.464 63.200 -0.202 0.000 0.973 356 S HN 0.653 nan 8.310 nan 0.000 0.468 357 D N 2.100 122.100 120.400 -0.667 0.000 2.249 357 D HA 0.304 4.924 4.640 -0.032 0.000 0.246 357 D C 0.965 177.130 176.300 -0.224 0.000 1.114 357 D CA -0.576 53.143 54.000 -0.468 0.000 0.854 357 D CB 0.907 41.604 40.800 -0.172 0.000 1.132 357 D HN 0.259 nan 8.370 nan 0.000 0.461 358 L N 5.291 126.362 121.223 -0.254 0.000 2.005 358 L HA -0.002 4.319 4.340 -0.032 0.000 0.207 358 L C 1.450 178.344 176.870 0.039 0.000 1.072 358 L CA 1.484 56.233 54.840 -0.152 0.000 0.744 358 L CB -0.454 41.450 42.059 -0.257 0.000 0.895 358 L HN 0.607 nan 8.230 nan 0.000 0.433 359 W N -0.106 121.191 121.300 -0.005 0.000 2.342 359 W HA -0.125 4.516 4.660 -0.032 0.000 0.297 359 W C 2.890 179.407 176.519 -0.002 0.000 1.213 359 W CA 1.496 58.842 57.345 0.001 0.000 1.251 359 W CB -1.781 27.686 29.460 0.011 0.000 1.136 359 W HN 0.558 nan 8.180 nan 0.000 0.526 360 S N -1.419 114.406 115.700 0.208 0.000 2.503 360 S HA 0.347 4.798 4.470 -0.032 0.000 0.215 360 S C 1.747 176.388 174.600 0.068 0.000 1.003 360 S CA 0.682 58.955 58.200 0.121 0.000 0.910 360 S CB 0.073 63.334 63.200 0.102 0.000 0.790 360 S HN 0.404 nan 8.310 nan 0.000 0.514 361 G N 1.257 110.083 108.800 0.043 0.000 2.162 361 G HA2 -0.245 3.696 3.960 -0.032 0.000 0.260 361 G HA3 -0.245 3.696 3.960 -0.032 0.000 0.260 361 G C -0.020 174.880 174.900 0.001 0.000 0.976 361 G CA 0.388 45.497 45.100 0.014 0.000 0.655 361 G HN 0.602 nan 8.290 nan 0.000 0.533 362 I N 1.321 121.891 120.570 0.001 0.000 2.325 362 I HA 0.264 4.415 4.170 -0.032 0.000 0.291 362 I C -0.414 175.697 176.117 -0.009 0.000 1.019 362 I CA -0.784 60.525 61.300 0.015 0.000 1.302 362 I CB 0.948 38.972 38.000 0.040 0.000 1.401 362 I HN -0.035 nan 8.210 nan 0.000 0.485 363 N N 6.605 125.315 118.700 0.017 0.000 2.424 363 N HA 0.278 4.999 4.740 -0.032 0.000 0.271 363 N C -1.283 174.296 175.510 0.114 0.000 0.985 363 N CA -0.407 52.653 53.050 0.017 0.000 0.921 363 N CB 1.566 40.047 38.487 -0.010 0.000 1.149 363 N HN 0.436 nan 8.380 nan 0.000 0.492 364 Y N 1.196 121.483 120.300 -0.021 0.000 2.361 364 Y HA 0.486 5.016 4.550 -0.032 0.000 0.337 364 Y C -0.927 174.981 175.900 0.013 0.000 0.965 364 Y CA -0.348 57.757 58.100 0.007 0.000 1.091 364 Y CB 1.498 39.977 38.460 0.032 0.000 1.182 364 Y HN 0.333 nan 8.280 nan 0.000 0.450 365 T N 6.779 121.193 114.554 -0.232 0.000 2.971 365 T HA 0.574 4.904 4.350 -0.032 0.000 0.304 365 T C -1.227 173.275 174.700 -0.330 0.000 1.038 365 T CA -1.020 60.974 62.100 -0.177 0.000 1.007 365 T CB 1.196 70.016 68.868 -0.080 0.000 1.055 365 T HN 0.392 nan 8.240 nan 0.000 0.451 366 R N 1.801 122.164 120.500 -0.228 0.000 2.686 366 R HA 0.553 4.874 4.340 -0.032 0.000 0.286 366 R C -0.349 175.925 176.300 -0.043 0.000 0.969 366 R CA -0.866 55.132 56.100 -0.171 0.000 0.898 366 R CB 2.034 32.239 30.300 -0.159 0.000 1.183 366 R HN 0.565 nan 8.270 nan 0.000 0.456 367 R N 1.075 121.567 120.500 -0.012 0.000 2.457 367 R HA 0.344 4.665 4.340 -0.032 0.000 0.284 367 R C 0.142 176.504 176.300 0.103 0.000 1.024 367 R CA -0.578 55.547 56.100 0.041 0.000 1.025 367 R CB 1.400 31.725 30.300 0.041 0.000 1.063 367 R HN 0.557 nan 8.270 nan 0.000 0.493 368 N N 0.660 119.457 118.700 0.162 0.000 2.482 368 N HA 0.329 5.049 4.740 -0.032 0.000 0.279 368 N C -0.786 174.930 175.510 0.342 0.000 1.182 368 N CA -0.478 52.735 53.050 0.272 0.000 0.969 368 N CB 1.091 39.783 38.487 0.343 0.000 1.201 368 N HN 0.301 nan 8.380 nan 0.000 0.523 369 R N 0.027 120.781 120.500 0.424 0.000 2.707 369 R HA 0.412 4.733 4.340 -0.032 0.000 0.272 369 R C -1.413 175.129 176.300 0.403 0.000 1.011 369 R CA -0.794 55.566 56.100 0.433 0.000 0.893 369 R CB 2.072 32.679 30.300 0.511 0.000 1.233 369 R HN 0.683 nan 8.270 nan 0.000 0.464 370 R N 0.831 121.353 120.500 0.037 0.000 2.673 370 R HA 0.555 4.875 4.340 -0.032 0.000 0.281 370 R C -1.087 174.733 176.300 -0.801 0.000 0.991 370 R CA -1.024 54.769 56.100 -0.510 0.000 0.896 370 R CB 1.518 31.169 30.300 -1.080 0.000 1.201 370 R HN 0.310 nan 8.270 nan 0.000 0.457 371 M N 2.608 121.446 119.600 -1.270 0.000 2.157 371 M HA 0.358 4.819 4.480 -0.032 0.000 0.354 371 M C -1.496 174.314 176.300 -0.816 0.000 1.170 371 M CA -0.721 53.753 55.300 -1.377 0.000 1.060 371 M CB 1.724 33.292 32.600 -1.720 0.000 1.615 371 M HN 0.549 nan 8.290 nan 0.000 0.460 372 V N 7.142 126.637 119.914 -0.699 0.000 2.459 372 V HA 0.568 4.668 4.120 -0.032 0.000 0.295 372 V C -0.463 175.434 176.094 -0.329 0.000 1.029 372 V CA -0.568 61.477 62.300 -0.425 0.000 0.874 372 V CB 1.500 33.089 31.823 -0.391 0.000 0.985 372 V HN 0.795 nan 8.190 nan 0.000 0.438 373 I N 4.659 125.097 120.570 -0.220 0.000 2.439 373 I HA 0.609 4.759 4.170 -0.032 0.000 0.285 373 I C -0.025 176.092 176.117 0.001 0.000 1.021 373 I CA 0.123 61.359 61.300 -0.108 0.000 1.091 373 I CB 1.898 39.823 38.000 -0.125 0.000 1.242 373 I HN 0.807 nan 8.210 nan 0.000 0.439 374 S N 5.605 121.322 115.700 0.028 0.000 2.685 374 S HA 0.886 5.336 4.470 -0.032 0.000 0.282 374 S C -0.892 173.812 174.600 0.173 0.000 1.159 374 S CA -0.742 57.425 58.200 -0.054 0.000 0.833 374 S CB 2.601 65.495 63.200 -0.510 0.000 1.151 374 S HN 0.532 nan 8.310 nan 0.000 0.485 375 F N -1.314 118.600 119.950 -0.060 0.000 2.693 375 F HA 0.852 5.360 4.527 -0.033 0.000 0.309 375 F C -2.368 173.521 175.800 0.148 0.000 1.129 375 F CA -1.550 56.517 58.000 0.111 0.000 0.948 375 F CB 0.889 40.007 39.000 0.197 0.000 1.315 375 F HN 0.606 nan 8.300 nan 0.000 0.447 376 F N 1.445 121.418 119.950 0.038 0.000 2.507 376 F HA 0.676 5.183 4.527 -0.033 0.000 0.325 376 F C 0.005 175.925 175.800 0.200 0.000 1.116 376 F CA -0.391 57.617 58.000 0.014 0.000 0.930 376 F CB 2.216 41.267 39.000 0.084 0.000 1.146 376 F HN 0.866 nan 8.300 nan 0.000 0.447 377 T N 2.064 116.811 114.554 0.321 0.000 2.930 377 T HA 0.654 4.985 4.350 -0.032 0.000 0.290 377 T C -1.062 173.880 174.700 0.403 0.000 1.052 377 T CA -0.342 62.032 62.100 0.456 0.000 1.017 377 T CB 1.351 70.533 68.868 0.523 0.000 1.137 377 T HN 0.549 nan 8.240 nan 0.000 0.511 378 T N 4.170 118.937 114.554 0.356 0.000 2.847 378 T HA 0.491 4.821 4.350 -0.032 0.000 0.291 378 T C -0.614 174.155 174.700 0.114 0.000 0.998 378 T CA -0.555 61.667 62.100 0.204 0.000 0.967 378 T CB 0.484 69.450 68.868 0.163 0.000 0.954 378 T HN 0.426 nan 8.240 nan 0.000 0.441 379 I N 3.918 124.522 120.570 0.056 0.000 2.479 379 I HA 0.386 4.537 4.170 -0.032 0.000 0.279 379 I C 1.345 177.405 176.117 -0.095 0.000 1.102 379 I CA 0.116 61.385 61.300 -0.052 0.000 1.196 379 I CB -0.547 37.474 38.000 0.035 0.000 1.427 379 I HN 0.980 nan 8.210 nan 0.000 0.503 380 G N 6.228 114.968 108.800 -0.101 0.000 2.595 380 G HA2 -0.397 3.543 3.960 -0.032 0.000 0.297 380 G HA3 -0.397 3.543 3.960 -0.032 0.000 0.297 380 G C 1.030 175.845 174.900 -0.142 0.000 1.181 380 G CA 0.605 45.698 45.100 -0.011 0.000 0.963 380 G HN 0.523 nan 8.290 nan 0.000 0.541 381 N N 0.218 118.619 118.700 -0.498 0.000 2.300 381 N HA 0.014 4.735 4.740 -0.032 0.000 0.179 381 N C 0.755 175.836 175.510 -0.714 0.000 1.016 381 N CA 1.348 53.732 53.050 -1.110 0.000 0.876 381 N CB -0.160 37.210 38.487 -1.863 0.000 0.979 381 N HN 0.509 nan 8.380 nan 0.000 0.432 382 Y N 1.389 121.436 120.300 -0.422 0.000 2.310 382 Y HA 0.349 4.881 4.550 -0.029 0.000 0.326 382 Y C -0.460 175.148 175.900 -0.487 0.000 1.151 382 Y CA -1.114 56.695 58.100 -0.485 0.000 1.195 382 Y CB 0.956 39.083 38.460 -0.555 0.000 1.210 382 Y HN -0.022 nan 8.280 nan 0.000 0.483 383 D N 1.774 122.006 120.400 -0.279 0.000 2.649 383 D HA 0.358 4.979 4.640 -0.032 0.000 0.249 383 D C -1.546 174.582 176.300 -0.285 0.000 1.112 383 D CA -0.374 53.571 54.000 -0.091 0.000 0.850 383 D CB 1.105 42.029 40.800 0.206 0.000 1.399 383 D HN 0.215 nan 8.370 nan 0.000 0.503 384 Y N 0.144 120.450 120.300 0.010 0.000 2.409 384 Y HA 0.664 5.195 4.550 -0.032 0.000 0.343 384 Y C 0.738 176.030 175.900 -1.012 0.000 0.973 384 Y CA -1.252 56.643 58.100 -0.343 0.000 1.064 384 Y CB 2.407 40.808 38.460 -0.098 0.000 1.207 384 Y HN 0.426 nan 8.280 nan 0.000 0.452 385 G N 2.304 110.407 108.800 -1.163 0.000 2.416 385 G HA2 0.583 4.523 3.960 -0.032 0.000 0.324 385 G HA3 0.583 4.523 3.960 -0.032 0.000 0.324 385 G C -1.720 172.807 174.900 -0.621 0.000 1.194 385 G CA -0.426 43.904 45.100 -1.284 0.000 0.922 385 G HN 0.314 nan 8.290 nan 0.000 0.467 386 F N 1.619 121.072 119.950 -0.828 0.000 2.411 386 F HA 0.492 4.999 4.527 -0.033 0.000 0.352 386 F C -0.610 174.847 175.800 -0.573 0.000 1.123 386 F CA -0.948 56.803 58.000 -0.415 0.000 1.044 386 F CB 1.652 40.555 39.000 -0.161 0.000 1.135 386 F HN 0.310 nan 8.300 nan 0.000 0.461 387 Y N 1.448 121.434 120.300 -0.523 0.000 2.350 387 Y HA 0.430 4.960 4.550 -0.033 0.000 0.338 387 Y C -1.034 174.243 175.900 -1.039 0.000 0.961 387 Y CA -1.432 56.255 58.100 -0.689 0.000 1.100 387 Y CB 1.410 39.377 38.460 -0.821 0.000 1.179 387 Y HN 0.530 nan 8.280 nan 0.000 0.454 388 W N 3.441 124.414 121.300 -0.545 0.000 2.573 388 W HA 0.620 5.261 4.660 -0.032 0.000 0.326 388 W C -1.430 174.637 176.519 -0.755 0.000 1.049 388 W CA -0.735 56.326 57.345 -0.474 0.000 1.220 388 W CB 1.223 30.562 29.460 -0.201 0.000 1.373 388 W HN 0.343 nan 8.180 nan 0.000 0.507 389 Y N 2.871 123.081 120.300 -0.150 0.000 2.462 389 Y HA 0.650 5.181 4.550 -0.033 0.000 0.346 389 Y C -0.302 175.298 175.900 -0.501 0.000 0.976 389 Y CA -1.427 56.389 58.100 -0.473 0.000 1.044 389 Y CB 1.265 39.314 38.460 -0.685 0.000 1.230 389 Y HN 0.037 nan 8.280 nan 0.000 0.455 390 L N 3.704 124.586 121.223 -0.569 0.000 2.356 390 L HA 0.540 4.861 4.340 -0.032 0.000 0.277 390 L C -1.227 175.446 176.870 -0.329 0.000 0.996 390 L CA -0.870 53.593 54.840 -0.629 0.000 0.822 390 L CB 1.391 42.764 42.059 -1.142 0.000 1.256 390 L HN 0.615 nan 8.230 nan 0.000 0.413 391 Y N 1.650 122.126 120.300 0.294 0.000 2.534 391 Y HA 0.331 4.862 4.550 -0.033 0.000 0.329 391 Y C 1.147 177.517 175.900 0.784 0.000 1.154 391 Y CA -0.750 57.628 58.100 0.463 0.000 1.192 391 Y CB 1.486 40.106 38.460 0.268 0.000 1.275 391 Y HN 0.426 nan 8.280 nan 0.000 0.491 392 L N 0.629 122.296 121.223 0.740 0.000 2.127 392 L HA -0.197 4.124 4.340 -0.032 0.000 0.211 392 L C 1.545 178.658 176.870 0.405 0.000 1.089 392 L CA 1.688 56.814 54.840 0.477 0.000 0.757 392 L CB -0.297 41.928 42.059 0.276 0.000 0.899 392 L HN 0.765 nan 8.230 nan 0.000 0.434 393 D N -0.670 119.947 120.400 0.361 0.000 2.328 393 D HA -0.001 4.619 4.640 -0.032 0.000 0.226 393 D C 1.370 177.748 176.300 0.129 0.000 1.066 393 D CA 0.872 54.965 54.000 0.155 0.000 0.861 393 D CB 0.455 41.315 40.800 0.100 0.000 0.912 393 D HN 0.346 nan 8.370 nan 0.000 0.521 394 G N 0.095 109.157 108.800 0.437 0.000 2.176 394 G HA2 -0.241 3.699 3.960 -0.032 0.000 0.232 394 G HA3 -0.241 3.699 3.960 -0.032 0.000 0.232 394 G C 0.355 175.734 174.900 0.798 0.000 0.986 394 G CA 0.184 45.562 45.100 0.464 0.000 0.643 394 G HN 0.420 nan 8.290 nan 0.000 0.522 395 T N 1.281 116.241 114.554 0.676 0.000 2.884 395 T HA 0.580 4.910 4.350 -0.032 0.000 0.298 395 T C 0.543 175.633 174.700 0.650 0.000 0.998 395 T CA 0.374 62.813 62.100 0.565 0.000 1.124 395 T CB 1.456 70.485 68.868 0.268 0.000 0.931 395 T HN 0.349 nan 8.240 nan 0.000 0.531 396 I N 2.427 123.299 120.570 0.504 0.000 2.474 396 I HA 0.510 4.660 4.170 -0.032 0.000 0.294 396 I C 0.174 176.467 176.117 0.294 0.000 1.005 396 I CA -0.623 60.868 61.300 0.319 0.000 1.113 396 I CB 1.865 40.026 38.000 0.268 0.000 1.289 396 I HN 0.584 nan 8.210 nan 0.000 0.436 397 E N 5.071 125.399 120.200 0.214 0.000 2.356 397 E HA 0.462 4.792 4.350 -0.032 0.000 0.275 397 E C -2.016 174.433 176.600 -0.252 0.000 0.904 397 E CA -0.674 55.749 56.400 0.039 0.000 0.757 397 E CB 2.723 32.574 29.700 0.253 0.000 1.232 397 E HN 0.415 nan 8.360 nan 0.000 0.442 398 F N 2.474 121.847 119.950 -0.962 0.000 2.520 398 F HA 0.481 4.988 4.527 -0.033 0.000 0.322 398 F C -1.087 174.175 175.800 -0.897 0.000 1.103 398 F CA -0.584 56.629 58.000 -1.311 0.000 0.926 398 F CB 1.701 39.486 39.000 -2.024 0.000 1.154 398 F HN 0.454 nan 8.300 nan 0.000 0.453 399 E N 4.302 123.398 120.200 -1.840 0.000 2.246 399 E HA 0.681 5.011 4.350 -0.032 0.000 0.266 399 E C -1.770 173.964 176.600 -1.443 0.000 0.880 399 E CA -0.991 54.668 56.400 -1.235 0.000 0.762 399 E CB 1.693 31.137 29.700 -0.425 0.000 1.180 399 E HN 0.832 nan 8.360 nan 0.000 0.416 400 A N 4.741 126.903 122.820 -1.097 0.000 2.276 400 A HA 0.450 4.750 4.320 -0.032 0.000 0.316 400 A C -0.653 176.654 177.584 -0.462 0.000 1.229 400 A CA -0.641 50.873 52.037 -0.872 0.000 0.851 400 A CB 0.615 18.896 19.000 -1.199 0.000 1.165 400 A HN 0.543 nan 8.150 nan 0.000 0.513 401 K N 1.959 122.176 120.400 -0.306 0.000 2.293 401 K HA 0.551 4.852 4.320 -0.032 0.000 0.267 401 K C -0.414 176.144 176.600 -0.071 0.000 1.010 401 K CA -0.195 56.011 56.287 -0.135 0.000 0.875 401 K CB 1.935 34.428 32.500 -0.012 0.000 1.106 401 K HN 0.725 nan 8.250 nan 0.000 0.450 402 A N 2.973 125.783 122.820 -0.016 0.000 2.292 402 A HA 0.644 4.945 4.320 -0.032 0.000 0.319 402 A C -0.161 177.408 177.584 -0.024 0.000 1.206 402 A CA -0.227 51.799 52.037 -0.018 0.000 0.835 402 A CB 0.688 19.622 19.000 -0.110 0.000 1.164 402 A HN 0.714 nan 8.150 nan 0.000 0.505 403 T N -0.040 114.493 114.554 -0.035 0.000 2.572 403 T HA 0.909 5.240 4.350 -0.032 0.000 0.274 403 T C 0.535 175.267 174.700 0.053 0.000 0.949 403 T CA 0.063 62.184 62.100 0.035 0.000 1.126 403 T CB 0.851 69.775 68.868 0.094 0.000 1.478 403 T HN 2.436 nan 8.240 nan 0.000 0.492 404 G N -0.367 108.418 108.800 -0.025 0.000 2.416 404 G HA2 0.107 4.048 3.960 -0.032 0.000 0.203 404 G HA3 0.107 4.048 3.960 -0.032 0.000 0.203 404 G C -1.427 173.338 174.900 -0.225 0.000 1.227 404 G CA -0.375 44.651 45.100 -0.123 0.000 1.041 404 G HN 1.134 nan 8.290 nan 0.000 0.546 405 V N 1.248 120.909 119.914 -0.421 0.000 2.495 405 V HA 0.617 4.718 4.120 -0.032 0.000 0.298 405 V C 1.105 176.859 176.094 -0.565 0.000 1.031 405 V CA -0.106 61.936 62.300 -0.430 0.000 0.871 405 V CB 1.163 32.652 31.823 -0.556 0.000 0.988 405 V HN 1.688 nan 8.190 nan 0.000 0.432 406 V N 2.370 122.185 119.914 -0.166 0.000 2.963 406 V HA 0.367 4.467 4.120 -0.032 0.000 0.306 406 V C -0.133 175.876 176.094 -0.143 0.000 1.077 406 V CA -0.271 61.955 62.300 -0.124 0.000 1.124 406 V CB 0.305 32.276 31.823 0.246 0.000 0.987 406 V HN 0.618 nan 8.190 nan 0.000 0.487 407 F N 4.208 124.017 119.950 -0.236 0.000 2.467 407 F HA 0.506 5.016 4.527 -0.027 0.000 0.362 407 F C 1.015 176.911 175.800 0.160 0.000 1.090 407 F CA 0.412 58.372 58.000 -0.067 0.000 1.202 407 F CB 0.844 39.808 39.000 -0.059 0.000 1.113 407 F HN 0.990 nan 8.300 nan 0.000 0.541 408 T N 1.663 116.141 114.554 -0.126 0.000 2.948 408 T HA 0.808 5.139 4.350 -0.032 0.000 0.285 408 T C -0.175 174.559 174.700 0.057 0.000 1.019 408 T CA -0.316 61.807 62.100 0.039 0.000 1.013 408 T CB 1.654 70.544 68.868 0.037 0.000 1.117 408 T HN 0.682 nan 8.240 nan 0.000 0.533 409 S N -0.312 115.403 115.700 0.026 0.000 2.880 409 S HA 0.829 5.280 4.470 -0.032 0.000 0.308 409 S C -0.689 173.868 174.600 -0.070 0.000 1.195 409 S CA -0.812 57.361 58.200 -0.046 0.000 0.866 409 S CB 0.829 64.013 63.200 -0.026 0.000 1.254 409 S HN 1.377 nan 8.310 nan 0.000 0.571 410 A N 0.313 123.042 122.820 -0.151 0.000 2.295 410 A HA 0.748 5.048 4.320 -0.032 0.000 0.318 410 A C -1.031 176.568 177.584 0.025 0.000 1.134 410 A CA -0.515 51.485 52.037 -0.063 0.000 0.827 410 A CB 0.150 19.085 19.000 -0.108 0.000 1.136 410 A HN 0.840 nan 8.150 nan 0.000 0.493 411 F N 2.669 122.603 119.950 -0.026 0.000 2.404 411 F HA 0.507 5.012 4.527 -0.036 0.000 0.358 411 F C -2.115 173.721 175.800 0.060 0.000 1.120 411 F CA -2.465 55.531 58.000 -0.007 0.000 1.144 411 F CB 0.930 39.918 39.000 -0.020 0.000 1.133 411 F HN 0.290 nan 8.300 nan 0.000 0.495 412 P HA -0.005 nan 4.420 nan 0.000 0.267 412 P C -0.908 176.222 177.300 -0.284 0.000 1.205 412 P CA -0.070 62.888 63.100 -0.236 0.000 0.765 412 P CB 0.436 31.987 31.700 -0.248 0.000 0.828 413 E N 2.155 122.301 120.200 -0.089 0.000 2.417 413 E HA 0.245 4.576 4.350 -0.032 0.000 0.261 413 E C 1.005 177.560 176.600 -0.075 0.000 1.000 413 E CA 0.772 57.145 56.400 -0.046 0.000 0.919 413 E CB -0.493 29.191 29.700 -0.027 0.000 0.955 413 E HN 0.746 nan 8.360 nan 0.000 0.455 414 G N 2.805 111.579 108.800 -0.043 0.000 2.159 414 G HA2 -0.138 3.803 3.960 -0.032 0.000 0.227 414 G HA3 -0.138 3.803 3.960 -0.032 0.000 0.227 414 G C 0.621 175.483 174.900 -0.064 0.000 0.986 414 G CA -0.138 44.941 45.100 -0.036 0.000 0.651 414 G HN 1.410 nan 8.290 nan 0.000 0.523 415 G N -1.418 107.288 108.800 -0.157 0.000 2.693 415 G HA2 0.371 4.312 3.960 -0.032 0.000 0.226 415 G HA3 0.371 4.312 3.960 -0.032 0.000 0.226 415 G C -0.043 174.645 174.900 -0.354 0.000 1.354 415 G CA 0.954 45.918 45.100 -0.226 0.000 0.873 415 G HN 2.266 nan 8.290 nan 0.000 0.562 416 S N -1.605 113.991 115.700 -0.174 0.000 2.543 416 S HA 0.569 5.019 4.470 -0.032 0.000 0.274 416 S C -0.221 174.369 174.600 -0.016 0.000 1.149 416 S CA 0.497 58.611 58.200 -0.144 0.000 0.866 416 S CB 1.687 64.728 63.200 -0.264 0.000 1.111 416 S HN 0.619 nan 8.310 nan 0.000 0.457 417 D N 2.159 122.542 120.400 -0.028 0.000 2.354 417 D HA 0.183 4.804 4.640 -0.032 0.000 0.209 417 D C 0.483 176.780 176.300 -0.004 0.000 1.015 417 D CA 0.597 54.629 54.000 0.052 0.000 0.867 417 D CB 0.048 40.884 40.800 0.060 0.000 0.933 417 D HN 0.612 nan 8.370 nan 0.000 0.520 418 N N -0.673 117.845 118.700 -0.303 0.000 2.160 418 N HA 0.270 4.991 4.740 -0.032 0.000 0.226 418 N C -0.375 174.413 175.510 -1.202 0.000 1.256 418 N CA 0.013 52.669 53.050 -0.657 0.000 0.890 418 N CB 1.729 40.092 38.487 -0.207 0.000 1.116 418 N HN -0.010 nan 8.380 nan 0.000 0.517 419 I N 0.133 120.139 120.570 -0.940 0.000 2.827 419 I HA 0.340 4.490 4.170 -0.032 0.000 0.298 419 I C -0.746 175.392 176.117 0.035 0.000 1.235 419 I CA -0.972 60.073 61.300 -0.425 0.000 1.021 419 I CB 2.240 40.199 38.000 -0.069 0.000 1.259 419 I HN -0.063 nan 8.210 nan 0.000 0.427 420 S N 3.480 119.355 115.700 0.292 0.000 2.621 420 S HA 0.563 5.014 4.470 -0.032 0.000 0.302 420 S C -0.789 173.783 174.600 -0.046 0.000 1.093 420 S CA -0.794 57.584 58.200 0.297 0.000 1.017 420 S CB 2.062 65.509 63.200 0.411 0.000 1.077 420 S HN 0.668 nan 8.310 nan 0.000 0.517 421 Q N 0.574 120.050 119.800 -0.538 0.000 2.243 421 Q HA 0.504 4.825 4.340 -0.032 0.000 0.252 421 Q C -0.298 175.477 176.000 -0.375 0.000 0.909 421 Q CA -0.564 54.774 55.803 -0.775 0.000 0.922 421 Q CB 0.908 28.808 28.738 -1.397 0.000 1.215 421 Q HN 0.879 nan 8.270 nan 0.000 0.427 422 L N 1.731 122.744 121.223 -0.350 0.000 2.685 422 L HA 0.563 4.883 4.340 -0.032 0.000 0.235 422 L C 0.247 176.922 176.870 -0.325 0.000 1.070 422 L CA 0.127 54.769 54.840 -0.331 0.000 0.888 422 L CB 0.782 42.514 42.059 -0.545 0.000 1.203 422 L HN 0.647 nan 8.230 nan 0.000 0.499 423 A N -0.994 121.628 122.820 -0.330 0.000 2.557 423 A HA 0.663 4.963 4.320 -0.032 0.000 0.292 423 A C -2.776 174.724 177.584 -0.140 0.000 1.139 423 A CA -0.998 50.918 52.037 -0.202 0.000 0.665 423 A CB 0.332 19.203 19.000 -0.216 0.000 1.285 423 A HN -0.241 nan 8.150 nan 0.000 0.433 424 P HA 0.319 nan 4.420 nan 0.000 0.265 424 P C 0.982 178.289 177.300 0.013 0.000 1.222 424 P CA 2.248 65.341 63.100 -0.013 0.000 0.767 424 P CB 0.504 32.213 31.700 0.016 0.000 0.801 425 G N 2.599 111.433 108.800 0.057 0.000 2.245 425 G HA2 -0.292 3.649 3.960 -0.032 0.000 0.264 425 G HA3 -0.292 3.649 3.960 -0.032 0.000 0.264 425 G C -0.061 174.891 174.900 0.086 0.000 0.985 425 G CA -0.074 45.091 45.100 0.108 0.000 0.625 425 G HN 0.560 nan 8.290 nan 0.000 0.536 426 L N 2.069 123.278 121.223 -0.023 0.000 2.265 426 L HA 0.739 5.060 4.340 -0.032 0.000 0.288 426 L C 0.842 177.652 176.870 -0.101 0.000 1.058 426 L CA 0.401 55.170 54.840 -0.118 0.000 0.809 426 L CB 0.964 42.830 42.059 -0.323 0.000 1.179 426 L HN 0.380 nan 8.230 nan 0.000 0.429 427 G N 3.371 112.169 108.800 -0.004 0.000 2.509 427 G HA2 0.768 4.708 3.960 -0.032 0.000 0.328 427 G HA3 0.768 4.708 3.960 -0.032 0.000 0.328 427 G C -1.544 173.376 174.900 0.033 0.000 1.194 427 G CA -0.290 44.870 45.100 0.101 0.000 0.967 427 G HN 0.966 nan 8.290 nan 0.000 0.488 428 A N 1.481 124.379 122.820 0.129 0.000 2.679 428 A HA 0.705 5.005 4.320 -0.032 0.000 0.288 428 A C -2.695 175.079 177.584 0.317 0.000 1.160 428 A CA -1.185 50.980 52.037 0.214 0.000 0.763 428 A CB 1.453 20.576 19.000 0.205 0.000 1.270 428 A HN 0.470 nan 8.150 nan 0.000 0.417 429 P HA 0.128 nan 4.420 nan 0.000 0.267 429 P C -0.474 177.137 177.300 0.520 0.000 1.200 429 P CA 0.286 63.575 63.100 0.315 0.000 0.772 429 P CB 0.315 32.241 31.700 0.377 0.000 0.855 430 F N 2.892 122.989 119.950 0.245 0.000 2.518 430 F HA 0.192 4.701 4.527 -0.031 0.000 0.359 430 F C 1.616 177.368 175.800 -0.080 0.000 1.118 430 F CA 0.405 58.444 58.000 0.065 0.000 1.287 430 F CB -0.504 38.543 39.000 0.079 0.000 1.132 430 F HN 0.486 nan 8.300 nan 0.000 0.587 431 H N 0.264 119.229 119.070 -0.175 0.000 2.918 431 H HA 0.565 5.102 4.556 -0.032 0.000 0.303 431 H C -1.787 173.253 175.328 -0.479 0.000 1.380 431 H CA -1.113 54.615 56.048 -0.533 0.000 1.134 431 H CB 1.571 30.636 29.762 -1.162 0.000 1.842 431 H HN 0.587 nan 8.280 nan 0.000 0.533 432 Q N 0.162 119.669 119.800 -0.487 0.000 2.451 432 Q HA 0.378 4.698 4.340 -0.032 0.000 0.281 432 Q C -1.112 174.523 176.000 -0.608 0.000 1.099 432 Q CA -0.984 54.534 55.803 -0.474 0.000 0.806 432 Q CB 3.010 31.529 28.738 -0.365 0.000 1.419 432 Q HN 0.541 nan 8.270 nan 0.000 0.427 433 H N 1.338 120.153 119.070 -0.425 0.000 2.792 433 H HA 0.449 4.985 4.556 -0.033 0.000 0.298 433 H C -0.881 174.155 175.328 -0.487 0.000 1.042 433 H CA -0.227 55.522 56.048 -0.498 0.000 1.300 433 H CB 0.735 30.225 29.762 -0.453 0.000 1.431 433 H HN 0.439 nan 8.280 nan 0.000 0.496 434 I N 4.140 124.411 120.570 -0.498 0.000 2.406 434 I HA 0.233 4.384 4.170 -0.032 0.000 0.290 434 I C -0.552 175.280 176.117 -0.475 0.000 0.999 434 I CA -0.610 60.469 61.300 -0.369 0.000 1.124 434 I CB 1.115 38.920 38.000 -0.324 0.000 1.289 434 I HN 0.204 nan 8.210 nan 0.000 0.441 435 F N 3.084 122.724 119.950 -0.516 0.000 2.497 435 F HA 0.574 5.081 4.527 -0.032 0.000 0.331 435 F C 0.598 176.168 175.800 -0.384 0.000 1.060 435 F CA -0.871 56.794 58.000 -0.558 0.000 0.989 435 F CB 1.714 40.089 39.000 -1.042 0.000 1.245 435 F HN 0.269 nan 8.300 nan 0.000 0.486 436 S N 0.796 116.526 115.700 0.050 0.000 2.647 436 S HA 0.794 5.245 4.470 -0.032 0.000 0.300 436 S C -1.108 173.614 174.600 0.203 0.000 1.129 436 S CA -0.531 57.744 58.200 0.125 0.000 1.029 436 S CB 0.708 63.822 63.200 -0.142 0.000 1.007 436 S HN 0.873 nan 8.310 nan 0.000 0.484 437 A N 4.692 127.703 122.820 0.319 0.000 2.276 437 A HA 0.663 4.963 4.320 -0.032 0.000 0.316 437 A C 0.034 177.684 177.584 0.111 0.000 1.229 437 A CA -0.711 51.484 52.037 0.263 0.000 0.851 437 A CB 0.505 19.672 19.000 0.278 0.000 1.165 437 A HN 0.849 nan 8.150 nan 0.000 0.513 438 R N 3.306 123.808 120.500 0.002 0.000 2.198 438 R HA 0.531 4.851 4.340 -0.032 0.000 0.339 438 R C -1.546 174.598 176.300 -0.261 0.000 1.020 438 R CA -0.308 55.606 56.100 -0.310 0.000 0.864 438 R CB 0.248 30.282 30.300 -0.443 0.000 1.105 438 R HN 0.715 nan 8.270 nan 0.000 0.463 439 L N 4.410 125.457 121.223 -0.294 0.000 2.324 439 L HA 0.263 4.583 4.340 -0.032 0.000 0.274 439 L C -0.485 176.255 176.870 -0.218 0.000 1.012 439 L CA -0.859 53.871 54.840 -0.183 0.000 0.859 439 L CB 1.519 43.530 42.059 -0.080 0.000 1.224 439 L HN 0.525 nan 8.230 nan 0.000 0.429 440 D N 4.726 125.009 120.400 -0.196 0.000 2.416 440 D HA 0.156 4.776 4.640 -0.032 0.000 0.240 440 D C 0.198 176.453 176.300 -0.075 0.000 1.250 440 D CA -0.247 53.683 54.000 -0.118 0.000 0.967 440 D CB 0.556 41.311 40.800 -0.075 0.000 1.059 440 D HN 0.136 nan 8.370 nan 0.000 0.512 441 M N 2.267 121.833 119.600 -0.056 0.000 2.245 441 M HA 0.318 4.778 4.480 -0.032 0.000 0.344 441 M C 0.329 176.576 176.300 -0.089 0.000 1.170 441 M CA -0.355 54.906 55.300 -0.065 0.000 1.135 441 M CB 0.687 33.271 32.600 -0.027 0.000 1.574 441 M HN 0.467 nan 8.290 nan 0.000 0.452 442 A N 4.440 127.140 122.820 -0.200 0.000 3.453 442 A HA 0.414 4.714 4.320 -0.032 0.000 0.262 442 A C -0.438 177.002 177.584 -0.241 0.000 1.026 442 A CA -0.560 51.244 52.037 -0.388 0.000 0.938 442 A CB 0.130 18.710 19.000 -0.700 0.000 1.246 442 A HN 0.607 nan 8.150 nan 0.000 0.546 443 I N 1.671 122.176 120.570 -0.108 0.000 2.471 443 I HA 0.092 4.243 4.170 -0.032 0.000 0.294 443 I C 0.336 176.492 176.117 0.064 0.000 1.123 443 I CA 0.766 62.085 61.300 0.033 0.000 1.336 443 I CB -0.723 37.344 38.000 0.111 0.000 1.430 443 I HN 0.519 nan 8.210 nan 0.000 0.533 444 D N 5.032 125.491 120.400 0.098 0.000 2.837 444 D HA -0.156 4.464 4.640 -0.032 0.000 0.230 444 D C 0.640 176.890 176.300 -0.083 0.000 1.152 444 D CA 1.662 55.658 54.000 -0.007 0.000 0.736 444 D CB -0.740 40.020 40.800 -0.067 0.000 1.084 444 D HN 1.105 nan 8.370 nan 0.000 0.429 445 G N -2.164 106.525 108.800 -0.186 0.000 2.384 445 G HA2 -0.086 3.854 3.960 -0.032 0.000 0.668 445 G HA3 -0.086 3.854 3.960 -0.032 0.000 0.668 445 G C 0.296 174.992 174.900 -0.340 0.000 1.280 445 G CA -0.370 44.566 45.100 -0.274 0.000 0.992 445 G HN 0.047 nan 8.290 nan 0.000 0.512 446 F N 0.753 120.688 119.950 -0.025 0.000 2.710 446 F HA 0.193 4.701 4.527 -0.033 0.000 0.298 446 F C 2.270 178.062 175.800 -0.015 0.000 1.137 446 F CA 1.247 59.225 58.000 -0.037 0.000 1.444 446 F CB 0.238 39.198 39.000 -0.066 0.000 1.111 446 F HN 0.304 nan 8.300 nan 0.000 0.580 447 T N 2.248 116.878 114.554 0.127 0.000 3.182 447 T HA 0.127 4.458 4.350 -0.032 0.000 0.274 447 T C -0.011 174.730 174.700 0.068 0.000 0.997 447 T CA -0.190 61.966 62.100 0.092 0.000 1.082 447 T CB -0.585 68.322 68.868 0.065 0.000 1.005 447 T HN -0.018 nan 8.240 nan 0.000 0.688 448 N N 2.343 121.091 118.700 0.080 0.000 2.525 448 N HA 0.693 5.414 4.740 -0.032 0.000 0.288 448 N C -0.182 175.374 175.510 0.075 0.000 1.242 448 N CA -0.935 52.157 53.050 0.070 0.000 0.905 448 N CB 1.645 40.171 38.487 0.065 0.000 1.258 448 N HN 0.478 nan 8.380 nan 0.000 0.551 449 R N -0.415 120.131 120.500 0.077 0.000 2.710 449 R HA 0.627 4.948 4.340 -0.032 0.000 0.270 449 R C -2.098 174.257 176.300 0.092 0.000 1.021 449 R CA -0.569 55.579 56.100 0.080 0.000 0.889 449 R CB 1.114 31.456 30.300 0.070 0.000 1.243 449 R HN 0.285 nan 8.270 nan 0.000 0.464 450 V N 2.130 122.105 119.914 0.102 0.000 2.656 450 V HA 0.460 4.560 4.120 -0.032 0.000 0.307 450 V C -0.869 175.309 176.094 0.139 0.000 1.051 450 V CA -0.699 61.678 62.300 0.128 0.000 0.893 450 V CB 1.994 33.898 31.823 0.135 0.000 0.999 450 V HN 0.791 nan 8.190 nan 0.000 0.426 451 E N 2.191 122.482 120.200 0.152 0.000 2.256 451 E HA 0.468 4.799 4.350 -0.032 0.000 0.267 451 E C -1.044 175.649 176.600 0.156 0.000 0.892 451 E CA -0.725 55.752 56.400 0.129 0.000 0.775 451 E CB 2.909 32.652 29.700 0.072 0.000 1.207 451 E HN 0.719 nan 8.360 nan 0.000 0.420 452 E N 2.327 122.597 120.200 0.116 0.000 2.115 452 E HA 0.072 4.402 4.350 -0.032 0.000 0.282 452 E C -1.040 175.479 176.600 -0.134 0.000 0.987 452 E CA -0.261 56.117 56.400 -0.037 0.000 0.797 452 E CB 0.888 30.630 29.700 0.070 0.000 1.086 452 E HN 0.372 nan 8.360 nan 0.000 0.397 453 E N 4.301 124.354 120.200 -0.246 0.000 2.109 453 E HA 0.149 4.480 4.350 -0.032 0.000 0.278 453 E C -1.165 175.314 176.600 -0.201 0.000 0.954 453 E CA -0.714 55.584 56.400 -0.171 0.000 0.779 453 E CB 0.861 30.483 29.700 -0.131 0.000 1.093 453 E HN 0.432 nan 8.360 nan 0.000 0.401 454 D N 2.414 122.740 120.400 -0.123 0.000 2.252 454 D HA 0.268 4.888 4.640 -0.032 0.000 0.245 454 D C -0.683 175.587 176.300 -0.050 0.000 1.009 454 D CA -0.561 53.377 54.000 -0.103 0.000 0.870 454 D CB 2.147 42.901 40.800 -0.076 0.000 1.251 454 D HN 0.147 nan 8.370 nan 0.000 0.460 455 V N 1.628 121.516 119.914 -0.044 0.000 2.614 455 V HA 0.218 4.318 4.120 -0.032 0.000 0.291 455 V C 0.139 176.238 176.094 0.009 0.000 1.049 455 V CA -0.336 61.962 62.300 -0.004 0.000 1.038 455 V CB 1.462 33.257 31.823 -0.047 0.000 0.980 455 V HN 0.247 nan 8.190 nan 0.000 0.481 456 V N 6.574 126.521 119.914 0.055 0.000 2.417 456 V HA 0.475 4.575 4.120 -0.032 0.000 0.291 456 V C 0.224 176.367 176.094 0.081 0.000 1.024 456 V CA -0.791 61.538 62.300 0.049 0.000 0.861 456 V CB 1.655 33.504 31.823 0.043 0.000 0.985 456 V HN 0.800 nan 8.190 nan 0.000 0.436 457 R N 3.558 124.087 120.500 0.048 0.000 2.428 457 R HA 0.577 4.898 4.340 -0.032 0.000 0.294 457 R C -0.637 175.697 176.300 0.056 0.000 1.000 457 R CA -0.559 55.577 56.100 0.059 0.000 0.960 457 R CB 1.459 31.770 30.300 0.018 0.000 1.076 457 R HN 0.691 nan 8.270 nan 0.000 0.475 458 Q N 0.432 120.275 119.800 0.070 0.000 2.306 458 Q HA 0.264 4.584 4.340 -0.032 0.000 0.265 458 Q C -0.498 175.524 176.000 0.036 0.000 1.022 458 Q CA -0.667 55.164 55.803 0.046 0.000 0.853 458 Q CB 2.396 31.161 28.738 0.045 0.000 1.327 458 Q HN 0.422 nan 8.270 nan 0.000 0.449 459 T N 1.082 115.650 114.554 0.024 0.000 2.882 459 T HA 0.357 4.687 4.350 -0.032 0.000 0.287 459 T C -0.075 174.634 174.700 0.016 0.000 0.992 459 T CA -0.595 61.516 62.100 0.018 0.000 1.076 459 T CB 0.554 69.430 68.868 0.013 0.000 0.961 459 T HN 0.578 nan 8.240 nan 0.000 0.490 460 M N 4.154 123.763 119.600 0.015 0.000 2.252 460 M HA 0.445 4.906 4.480 -0.032 0.000 0.348 460 M C 0.472 176.777 176.300 0.008 0.000 1.334 460 M CA 1.048 56.355 55.300 0.012 0.000 1.071 460 M CB -0.704 31.903 32.600 0.011 0.000 1.763 460 M HN 0.999 nan 8.290 nan 0.000 0.452 461 G N 4.781 113.585 108.800 0.006 0.000 2.344 461 G HA2 0.211 4.152 3.960 -0.032 0.000 0.282 461 G HA3 0.211 4.152 3.960 -0.032 0.000 0.282 461 G C -3.391 171.510 174.900 0.002 0.000 1.281 461 G CA -1.111 43.991 45.100 0.004 0.000 0.877 461 G HN 0.412 nan 8.290 nan 0.000 0.494 462 P HA 0.324 nan 4.420 nan 0.000 0.262 462 P C 0.986 178.285 177.300 -0.002 0.000 1.182 462 P CA 2.287 65.387 63.100 -0.001 0.000 0.761 462 P CB 0.750 32.449 31.700 -0.001 0.000 0.795 463 G N 2.687 111.484 108.800 -0.004 0.000 2.199 463 G HA2 -0.274 3.667 3.960 -0.032 0.000 0.254 463 G HA3 -0.274 3.667 3.960 -0.032 0.000 0.254 463 G C 0.494 175.390 174.900 -0.007 0.000 0.982 463 G CA 0.346 45.443 45.100 -0.006 0.000 0.632 463 G HN 0.670 nan 8.290 nan 0.000 0.529 464 N N 0.325 119.023 118.700 -0.003 0.000 2.605 464 N HA 0.178 4.898 4.740 -0.032 0.000 0.265 464 N C 1.415 176.927 175.510 0.003 0.000 1.625 464 N CA 0.657 53.707 53.050 -0.001 0.000 0.862 464 N CB 0.269 38.758 38.487 0.004 0.000 1.415 464 N HN 0.305 nan 8.380 nan 0.000 0.513 465 E N -0.099 120.101 120.200 0.001 0.000 2.268 465 E HA -0.105 4.225 4.350 -0.032 0.000 0.195 465 E C 0.869 177.471 176.600 0.004 0.000 0.995 465 E CA 0.717 57.118 56.400 0.002 0.000 0.836 465 E CB 0.045 29.746 29.700 0.001 0.000 0.763 465 E HN 0.438 nan 8.360 nan 0.000 0.491 466 R N 0.201 120.704 120.500 0.005 0.000 2.317 466 R HA 0.121 4.442 4.340 -0.032 0.000 0.208 466 R C 0.826 177.134 176.300 0.014 0.000 0.914 466 R CA 0.455 56.559 56.100 0.008 0.000 1.060 466 R CB 0.167 30.471 30.300 0.007 0.000 1.015 466 R HN 0.304 nan 8.270 nan 0.000 0.498 467 G N 2.201 111.010 108.800 0.015 0.000 2.305 467 G HA2 -0.353 3.587 3.960 -0.032 0.000 0.287 467 G HA3 -0.353 3.587 3.960 -0.032 0.000 0.287 467 G C 0.231 175.153 174.900 0.037 0.000 1.036 467 G CA 0.968 46.083 45.100 0.024 0.000 0.887 467 G HN 0.691 nan 8.290 nan 0.000 0.505 468 N N -1.063 117.661 118.700 0.039 0.000 2.294 468 N HA 0.514 5.235 4.740 -0.032 0.000 0.186 468 N C 1.230 176.793 175.510 0.088 0.000 1.107 468 N CA 0.578 53.666 53.050 0.062 0.000 0.884 468 N CB 0.378 38.889 38.487 0.040 0.000 1.030 468 N HN 0.817 nan 8.380 nan 0.000 0.482 469 A N 0.700 123.547 122.820 0.045 0.000 2.462 469 A HA 0.445 4.745 4.320 -0.032 0.000 0.243 469 A C -0.555 177.099 177.584 0.116 0.000 1.076 469 A CA -0.256 51.786 52.037 0.008 0.000 0.773 469 A CB -0.305 18.681 19.000 -0.023 0.000 1.010 469 A HN 0.490 nan 8.150 nan 0.000 0.493 470 F N 0.359 120.302 119.950 -0.011 0.000 2.619 470 F HA 0.809 5.316 4.527 -0.032 0.000 0.308 470 F C -0.251 175.541 175.800 -0.014 0.000 1.097 470 F CA -0.585 57.407 58.000 -0.013 0.000 0.953 470 F CB 1.064 40.055 39.000 -0.014 0.000 1.287 470 F HN 0.553 nan 8.300 nan 0.000 0.446 471 S N 1.176 116.994 115.700 0.198 0.000 2.921 471 S HA 0.838 5.288 4.470 -0.032 0.000 0.315 471 S C -1.327 173.358 174.600 0.142 0.000 1.087 471 S CA -0.892 57.358 58.200 0.083 0.000 0.877 471 S CB 1.431 64.647 63.200 0.026 0.000 1.340 471 S HN 1.076 nan 8.310 nan 0.000 0.622 472 R N 0.639 121.178 120.500 0.065 0.000 2.739 472 R HA 0.626 4.946 4.340 -0.032 0.000 0.271 472 R C -1.981 174.329 176.300 0.016 0.000 1.010 472 R CA -0.917 55.210 56.100 0.046 0.000 0.897 472 R CB 1.364 31.688 30.300 0.041 0.000 1.236 472 R HN 0.680 nan 8.270 nan 0.000 0.466 473 K N 1.856 122.257 120.400 0.000 0.000 2.468 473 K HA 0.538 4.838 4.320 -0.032 0.000 0.252 473 K C -1.180 175.411 176.600 -0.015 0.000 0.932 473 K CA -1.050 55.235 56.287 -0.004 0.000 0.794 473 K CB 2.673 35.172 32.500 -0.002 0.000 1.241 473 K HN 0.609 nan 8.250 nan 0.000 0.428 474 R N 1.554 122.051 120.500 -0.006 0.000 2.437 474 R HA 0.356 4.676 4.340 -0.032 0.000 0.310 474 R C -1.030 175.277 176.300 0.012 0.000 0.955 474 R CA -0.863 55.235 56.100 -0.003 0.000 0.851 474 R CB 2.389 32.691 30.300 0.004 0.000 1.161 474 R HN 0.643 nan 8.270 nan 0.000 0.446 475 T N 2.207 116.773 114.554 0.020 0.000 2.770 475 T HA 0.155 4.485 4.350 -0.032 0.000 0.283 475 T C -0.469 174.267 174.700 0.059 0.000 0.988 475 T CA -0.536 61.586 62.100 0.036 0.000 0.957 475 T CB 1.725 70.615 68.868 0.038 0.000 0.930 475 T HN 0.250 nan 8.240 nan 0.000 0.443 476 V N 6.115 126.062 119.914 0.055 0.000 2.530 476 V HA 0.434 4.534 4.120 -0.032 0.000 0.282 476 V C -0.348 175.790 176.094 0.072 0.000 1.048 476 V CA -0.624 61.717 62.300 0.067 0.000 0.997 476 V CB 0.226 32.082 31.823 0.055 0.000 0.987 476 V HN 0.753 nan 8.190 nan 0.000 0.477 477 L N 7.337 128.613 121.223 0.088 0.000 2.268 477 L HA 0.336 4.656 4.340 -0.032 0.000 0.289 477 L C 1.493 178.408 176.870 0.074 0.000 1.064 477 L CA 0.080 54.971 54.840 0.084 0.000 0.824 477 L CB 0.980 43.099 42.059 0.100 0.000 1.202 477 L HN 0.926 nan 8.230 nan 0.000 0.433 478 T N -0.528 114.064 114.554 0.062 0.000 2.939 478 T HA 0.156 4.486 4.350 -0.032 0.000 0.254 478 T C 1.029 175.765 174.700 0.060 0.000 1.041 478 T CA 0.065 62.199 62.100 0.058 0.000 1.142 478 T CB 0.306 69.203 68.868 0.047 0.000 0.874 478 T HN 0.300 nan 8.240 nan 0.000 0.452 479 R N 1.000 121.534 120.500 0.058 0.000 2.832 479 R HA 0.509 4.829 4.340 -0.032 0.000 0.271 479 R C 0.893 177.233 176.300 0.068 0.000 0.996 479 R CA -0.660 55.475 56.100 0.059 0.000 0.977 479 R CB 0.973 31.302 30.300 0.048 0.000 1.168 479 R HN 0.311 nan 8.270 nan 0.000 0.482 480 E N 0.454 120.701 120.200 0.078 0.000 2.268 480 E HA -0.125 4.206 4.350 -0.032 0.000 0.195 480 E C 1.187 177.833 176.600 0.077 0.000 0.995 480 E CA 1.480 57.938 56.400 0.096 0.000 0.836 480 E CB 0.197 29.966 29.700 0.115 0.000 0.763 480 E HN 0.597 nan 8.360 nan 0.000 0.491 481 S N 0.906 116.641 115.700 0.057 0.000 2.515 481 S HA -0.131 4.320 4.470 -0.032 0.000 0.231 481 S C 1.383 175.996 174.600 0.020 0.000 0.987 481 S CA 0.886 59.109 58.200 0.039 0.000 0.936 481 S CB -0.254 62.967 63.200 0.034 0.000 0.766 481 S HN 0.407 nan 8.310 nan 0.000 0.528 482 E N 0.083 120.298 120.200 0.026 0.000 2.693 482 E HA 0.546 4.877 4.350 -0.032 0.000 0.214 482 E C 0.751 177.360 176.600 0.015 0.000 0.990 482 E CA 0.125 56.535 56.400 0.016 0.000 1.047 482 E CB 0.463 30.181 29.700 0.029 0.000 1.039 482 E HN 0.444 nan 8.360 nan 0.000 0.475 483 A N 1.020 123.848 122.820 0.013 0.000 2.545 483 A HA 0.319 4.620 4.320 -0.032 0.000 0.277 483 A C 0.210 177.741 177.584 -0.088 0.000 1.301 483 A CA -0.226 51.818 52.037 0.011 0.000 0.935 483 A CB 0.283 19.329 19.000 0.077 0.000 1.093 483 A HN 0.108 nan 8.150 nan 0.000 0.519 484 V N 2.828 122.618 119.914 -0.206 0.000 2.294 484 V HA 0.365 4.466 4.120 -0.032 0.000 0.272 484 V C -0.430 175.419 176.094 -0.407 0.000 1.027 484 V CA -0.735 61.239 62.300 -0.543 0.000 0.823 484 V CB 0.468 31.858 31.823 -0.722 0.000 1.030 484 V HN 0.441 nan 8.190 nan 0.000 0.457 485 R N 2.900 123.169 120.500 -0.385 0.000 2.668 485 R HA 0.633 4.954 4.340 -0.032 0.000 0.279 485 R C -0.257 175.975 176.300 -0.114 0.000 0.976 485 R CA -0.722 55.286 56.100 -0.153 0.000 0.978 485 R CB 1.847 32.161 30.300 0.025 0.000 1.133 485 R HN 0.758 nan 8.270 nan 0.000 0.484 486 E N 0.541 120.790 120.200 0.082 0.000 2.202 486 E HA 0.580 4.910 4.350 -0.032 0.000 0.272 486 E C -0.870 175.927 176.600 0.328 0.000 0.951 486 E CA -0.754 55.724 56.400 0.130 0.000 0.813 486 E CB 1.846 31.585 29.700 0.065 0.000 1.151 486 E HN 0.647 nan 8.360 nan 0.000 0.398 487 A N 2.705 125.712 122.820 0.311 0.000 2.313 487 A HA 0.297 4.597 4.320 -0.032 0.000 0.261 487 A C -0.334 177.343 177.584 0.155 0.000 1.090 487 A CA -0.133 52.107 52.037 0.339 0.000 0.807 487 A CB 0.608 19.799 19.000 0.318 0.000 1.055 487 A HN 0.653 nan 8.150 nan 0.000 0.492 488 D N -0.144 120.300 120.400 0.072 0.000 2.584 488 D HA 0.392 5.013 4.640 -0.032 0.000 0.238 488 D C 0.665 176.960 176.300 -0.009 0.000 1.302 488 D CA 0.285 54.297 54.000 0.020 0.000 0.884 488 D CB 0.635 41.430 40.800 -0.009 0.000 1.456 488 D HN 0.476 nan 8.370 nan 0.000 0.528 489 A N 2.559 125.392 122.820 0.021 0.000 1.940 489 A HA -0.198 4.103 4.320 -0.032 0.000 0.219 489 A C 1.995 179.570 177.584 -0.015 0.000 1.176 489 A CA 1.283 53.327 52.037 0.011 0.000 0.631 489 A CB -0.063 18.958 19.000 0.034 0.000 0.814 489 A HN 0.452 nan 8.150 nan 0.000 0.446 490 R N -0.090 120.401 120.500 -0.015 0.000 2.091 490 R HA -0.095 4.225 4.340 -0.032 0.000 0.238 490 R C 1.939 178.212 176.300 -0.045 0.000 1.136 490 R CA 1.876 57.960 56.100 -0.028 0.000 0.959 490 R CB -0.965 29.324 30.300 -0.019 0.000 0.856 490 R HN 0.648 nan 8.270 nan 0.000 0.437 491 T N -2.786 111.739 114.554 -0.048 0.000 3.206 491 T HA 0.279 4.609 4.350 -0.032 0.000 0.253 491 T C 1.135 175.787 174.700 -0.080 0.000 1.042 491 T CA 0.072 62.135 62.100 -0.062 0.000 0.931 491 T CB 0.406 69.241 68.868 -0.055 0.000 1.029 491 T HN 0.412 nan 8.240 nan 0.000 0.564 492 G N 2.328 111.083 108.800 -0.075 0.000 2.258 492 G HA2 -0.360 3.580 3.960 -0.032 0.000 0.274 492 G HA3 -0.360 3.580 3.960 -0.032 0.000 0.274 492 G C 0.102 174.924 174.900 -0.129 0.000 1.021 492 G CA 0.233 45.287 45.100 -0.077 0.000 0.798 492 G HN 0.904 nan 8.290 nan 0.000 0.507 493 R N 0.736 121.121 120.500 -0.191 0.000 2.504 493 R HA 0.362 4.683 4.340 -0.032 0.000 0.291 493 R C 0.936 176.876 176.300 -0.599 0.000 0.974 493 R CA 1.200 57.064 56.100 -0.393 0.000 1.077 493 R CB 0.105 30.155 30.300 -0.417 0.000 0.926 493 R HN 0.502 nan 8.270 nan 0.000 0.407 494 T N 0.910 115.038 114.554 -0.711 0.000 2.804 494 T HA 0.551 4.882 4.350 -0.032 0.000 0.290 494 T C -1.036 173.165 174.700 -0.831 0.000 1.099 494 T CA -0.955 60.742 62.100 -0.673 0.000 1.011 494 T CB 1.292 69.947 68.868 -0.354 0.000 1.291 494 T HN 0.572 nan 8.240 nan 0.000 0.523 495 W N 0.611 121.852 121.300 -0.098 0.000 2.781 495 W HA 0.575 5.215 4.660 -0.032 0.000 0.333 495 W C -1.303 175.184 176.519 -0.054 0.000 1.047 495 W CA -1.127 56.186 57.345 -0.055 0.000 1.236 495 W CB 1.657 31.093 29.460 -0.039 0.000 1.394 495 W HN 0.591 nan 8.180 nan 0.000 0.466 496 I N 4.215 124.873 120.570 0.146 0.000 2.377 496 I HA 0.304 4.454 4.170 -0.032 0.000 0.293 496 I C -0.225 175.972 176.117 0.133 0.000 0.987 496 I CA -0.888 60.475 61.300 0.105 0.000 1.185 496 I CB 1.241 39.275 38.000 0.056 0.000 1.341 496 I HN 0.082 nan 8.210 nan 0.000 0.455 497 I N 6.058 126.710 120.570 0.137 0.000 2.312 497 I HA 0.309 4.460 4.170 -0.032 0.000 0.290 497 I C 0.282 176.475 176.117 0.127 0.000 1.008 497 I CA 0.244 61.617 61.300 0.122 0.000 1.226 497 I CB 1.110 39.171 38.000 0.102 0.000 1.371 497 I HN 0.597 nan 8.210 nan 0.000 0.468 498 S N 3.910 119.674 115.700 0.106 0.000 2.634 498 S HA 0.578 5.029 4.470 -0.032 0.000 0.296 498 S C -0.652 173.997 174.600 0.081 0.000 1.104 498 S CA -0.935 57.327 58.200 0.104 0.000 0.920 498 S CB 1.958 65.208 63.200 0.083 0.000 1.111 498 S HN 0.502 nan 8.310 nan 0.000 0.493 499 N N 2.015 120.757 118.700 0.071 0.000 2.558 499 N HA 0.367 5.088 4.740 -0.032 0.000 0.242 499 N C -1.883 173.644 175.510 0.028 0.000 0.979 499 N CA -2.375 50.702 53.050 0.044 0.000 0.931 499 N CB 1.346 39.850 38.487 0.030 0.000 1.122 499 N HN 0.404 nan 8.380 nan 0.000 0.508 500 P HA -0.065 nan 4.420 nan 0.000 0.231 500 P C 0.012 177.318 177.300 0.011 0.000 1.158 500 P CA 1.107 64.220 63.100 0.022 0.000 0.763 500 P CB 0.507 32.225 31.700 0.029 0.000 0.805 501 E N -1.079 119.125 120.200 0.008 0.000 2.498 501 E HA 0.134 4.464 4.350 -0.032 0.000 0.203 501 E C 0.178 176.768 176.600 -0.017 0.000 1.013 501 E CA -0.087 56.313 56.400 -0.001 0.000 0.927 501 E CB 0.454 30.158 29.700 0.007 0.000 1.012 501 E HN -0.015 nan 8.360 nan 0.000 0.482 502 S N 1.408 117.091 115.700 -0.028 0.000 2.640 502 S HA 0.256 4.706 4.470 -0.032 0.000 0.320 502 S C -0.800 173.758 174.600 -0.069 0.000 1.097 502 S CA -0.805 57.359 58.200 -0.059 0.000 1.092 502 S CB 0.260 63.411 63.200 -0.082 0.000 0.988 502 S HN -0.092 nan 8.310 nan 0.000 0.470 503 K N 3.115 123.474 120.400 -0.069 0.000 2.118 503 K HA 0.426 4.726 4.320 -0.032 0.000 0.254 503 K C 0.088 176.633 176.600 -0.091 0.000 0.961 503 K CA -0.830 55.418 56.287 -0.065 0.000 0.876 503 K CB 0.939 33.414 32.500 -0.042 0.000 1.077 503 K HN 0.782 nan 8.250 nan 0.000 0.440 504 N N -0.052 118.598 118.700 -0.083 0.000 2.448 504 N HA 0.102 4.823 4.740 -0.032 0.000 0.274 504 N C 0.766 176.244 175.510 -0.054 0.000 1.239 504 N CA -0.549 52.448 53.050 -0.088 0.000 0.982 504 N CB 0.313 38.755 38.487 -0.076 0.000 1.199 504 N HN 0.523 nan 8.380 nan 0.000 0.576 505 R N -0.695 119.779 120.500 -0.042 0.000 2.249 505 R HA -0.004 4.317 4.340 -0.032 0.000 0.230 505 R C 0.450 176.737 176.300 -0.021 0.000 1.121 505 R CA 1.203 57.286 56.100 -0.028 0.000 0.997 505 R CB -0.762 29.526 30.300 -0.019 0.000 0.867 505 R HN 0.570 nan 8.270 nan 0.000 0.465 506 L N 0.898 122.108 121.223 -0.021 0.000 2.685 506 L HA 0.179 4.499 4.340 -0.032 0.000 0.233 506 L C 0.222 177.082 176.870 -0.017 0.000 1.173 506 L CA -0.222 54.608 54.840 -0.016 0.000 0.961 506 L CB -0.526 41.525 42.059 -0.013 0.000 1.217 506 L HN 0.375 nan 8.230 nan 0.000 0.478 507 N N 2.128 120.815 118.700 -0.021 0.000 2.735 507 N HA -0.170 4.551 4.740 -0.032 0.000 0.248 507 N C -0.530 174.970 175.510 -0.017 0.000 1.083 507 N CA 0.637 53.675 53.050 -0.020 0.000 0.703 507 N CB -0.213 38.264 38.487 -0.016 0.000 1.005 507 N HN 0.658 nan 8.380 nan 0.000 0.550 508 E N -0.360 119.828 120.200 -0.019 0.000 2.199 508 E HA 0.516 4.846 4.350 -0.032 0.000 0.269 508 E C -2.780 173.811 176.600 -0.016 0.000 0.899 508 E CA -2.198 54.195 56.400 -0.012 0.000 0.772 508 E CB 1.139 30.835 29.700 -0.007 0.000 1.155 508 E HN 0.009 nan 8.360 nan 0.000 0.408 509 P HA -0.117 nan 4.420 nan 0.000 0.260 509 P C -0.025 177.277 177.300 0.004 0.000 1.172 509 P CA -0.049 63.049 63.100 -0.003 0.000 0.760 509 P CB 0.281 31.991 31.700 0.016 0.000 0.773 510 V N 2.082 121.984 119.914 -0.021 0.000 3.032 510 V HA 0.612 4.713 4.120 -0.032 0.000 0.307 510 V C 0.627 176.810 176.094 0.148 0.000 1.097 510 V CA 0.455 62.759 62.300 0.007 0.000 1.191 510 V CB 0.050 31.773 31.823 -0.167 0.000 0.964 510 V HN 0.737 nan 8.190 nan 0.000 0.494 511 G N 1.925 110.873 108.800 0.246 0.000 2.608 511 G HA2 0.615 4.555 3.960 -0.032 0.000 0.291 511 G HA3 0.615 4.555 3.960 -0.032 0.000 0.291 511 G C -2.277 172.766 174.900 0.238 0.000 1.425 511 G CA -0.739 44.502 45.100 0.235 0.000 0.787 511 G HN 0.806 nan 8.290 nan 0.000 0.484 512 Y N -0.229 120.095 120.300 0.039 0.000 2.470 512 Y HA 0.608 5.138 4.550 -0.033 0.000 0.341 512 Y C -0.012 175.898 175.900 0.017 0.000 1.021 512 Y CA -0.823 57.278 58.100 0.001 0.000 1.025 512 Y CB 2.851 41.278 38.460 -0.056 0.000 1.266 512 Y HN 0.523 nan 8.280 nan 0.000 0.448 513 K N 3.721 124.155 120.400 0.057 0.000 2.244 513 K HA 0.545 4.846 4.320 -0.032 0.000 0.260 513 K C -1.687 174.860 176.600 -0.089 0.000 0.951 513 K CA -0.900 55.357 56.287 -0.051 0.000 0.826 513 K CB 1.054 33.457 32.500 -0.161 0.000 1.108 513 K HN 0.572 nan 8.250 nan 0.000 0.433 514 L N 5.242 126.424 121.223 -0.069 0.000 2.260 514 L HA 0.298 4.619 4.340 -0.032 0.000 0.289 514 L C -1.389 175.400 176.870 -0.134 0.000 1.057 514 L CA -0.010 54.826 54.840 -0.007 0.000 0.811 514 L CB 0.303 42.395 42.059 0.054 0.000 1.184 514 L HN 0.649 nan 8.230 nan 0.000 0.429 515 H N 4.555 123.716 119.070 0.152 0.000 2.597 515 H HA 0.702 5.238 4.556 -0.033 0.000 0.303 515 H C 0.105 175.547 175.328 0.189 0.000 1.057 515 H CA -0.043 56.090 56.048 0.142 0.000 1.261 515 H CB 1.166 31.001 29.762 0.123 0.000 1.397 515 H HN 0.900 nan 8.280 nan 0.000 0.461 516 A N 2.235 125.225 122.820 0.283 0.000 2.271 516 A HA 0.190 4.491 4.320 -0.032 0.000 0.288 516 A C 0.407 178.265 177.584 0.457 0.000 1.094 516 A CA -0.528 51.711 52.037 0.337 0.000 0.828 516 A CB 0.472 19.706 19.000 0.390 0.000 1.091 516 A HN 1.006 nan 8.150 nan 0.000 0.493 517 H N 0.409 119.644 119.070 0.275 0.000 2.551 517 H HA 0.016 4.552 4.556 -0.033 0.000 0.266 517 H C -0.088 175.347 175.328 0.178 0.000 0.964 517 H CA 0.201 56.362 56.048 0.188 0.000 1.180 517 H CB 0.216 30.077 29.762 0.165 0.000 1.408 517 H HN 0.752 nan 8.280 nan 0.000 0.563 518 N N 1.744 120.654 118.700 0.351 0.000 2.747 518 N HA -0.173 4.547 4.740 -0.032 0.000 0.249 518 N C -0.405 175.226 175.510 0.201 0.000 1.107 518 N CA 0.587 53.792 53.050 0.258 0.000 0.707 518 N CB -0.923 37.677 38.487 0.189 0.000 1.054 518 N HN 0.537 nan 8.380 nan 0.000 0.555 519 Q N -0.103 119.829 119.800 0.220 0.000 2.535 519 Q HA 0.277 4.597 4.340 -0.032 0.000 0.228 519 Q C -1.852 174.216 176.000 0.114 0.000 1.062 519 Q CA -0.751 55.145 55.803 0.155 0.000 0.967 519 Q CB 0.058 28.895 28.738 0.165 0.000 1.273 519 Q HN 0.150 nan 8.270 nan 0.000 0.554 520 P HA 0.033 nan 4.420 nan 0.000 0.271 520 P C -0.247 177.059 177.300 0.010 0.000 1.218 520 P CA 0.054 63.176 63.100 0.038 0.000 0.780 520 P CB 0.569 32.279 31.700 0.017 0.000 0.901 521 T N 0.051 114.607 114.554 0.003 0.000 2.924 521 T HA 0.308 4.639 4.350 -0.032 0.000 0.301 521 T C 0.282 174.932 174.700 -0.083 0.000 1.120 521 T CA -0.797 61.282 62.100 -0.034 0.000 0.940 521 T CB -0.063 68.800 68.868 -0.007 0.000 1.591 521 T HN 0.166 nan 8.240 nan 0.000 0.578 522 L N 1.192 122.343 121.223 -0.120 0.000 2.584 522 L HA 0.197 4.518 4.340 -0.032 0.000 0.272 522 L C 0.886 177.708 176.870 -0.080 0.000 1.195 522 L CA 0.177 54.935 54.840 -0.137 0.000 0.920 522 L CB -0.424 41.529 42.059 -0.177 0.000 1.173 522 L HN 0.617 nan 8.230 nan 0.000 0.489 523 L N 4.966 126.144 121.223 -0.075 0.000 2.341 523 L HA 0.183 4.504 4.340 -0.032 0.000 0.214 523 L C 1.416 178.280 176.870 -0.011 0.000 1.115 523 L CA 0.219 55.039 54.840 -0.033 0.000 0.820 523 L CB -0.558 41.484 42.059 -0.028 0.000 0.944 523 L HN 0.817 nan 8.230 nan 0.000 0.452 524 A N 0.694 123.502 122.820 -0.020 0.000 2.555 524 A HA -0.095 4.206 4.320 -0.032 0.000 0.233 524 A C 0.319 177.912 177.584 0.014 0.000 1.060 524 A CA -0.122 51.919 52.037 0.007 0.000 0.759 524 A CB -0.069 18.936 19.000 0.008 0.000 0.995 524 A HN 0.268 nan 8.150 nan 0.000 0.506 525 D N 2.471 122.889 120.400 0.030 0.000 2.525 525 D HA -0.009 4.612 4.640 -0.032 0.000 0.235 525 D C -1.095 175.219 176.300 0.024 0.000 1.137 525 D CA -0.750 53.268 54.000 0.030 0.000 0.868 525 D CB 0.828 41.651 40.800 0.039 0.000 1.180 525 D HN 0.293 nan 8.370 nan 0.000 0.465 526 P HA -0.102 nan 4.420 nan 0.000 0.221 526 P C 1.021 178.332 177.300 0.019 0.000 1.145 526 P CA 0.888 63.998 63.100 0.016 0.000 0.795 526 P CB 0.136 31.845 31.700 0.014 0.000 0.775 527 G N -0.134 108.680 108.800 0.023 0.000 3.042 527 G HA2 0.012 3.953 3.960 -0.032 0.000 0.212 527 G HA3 0.012 3.953 3.960 -0.032 0.000 0.212 527 G C 0.683 175.601 174.900 0.030 0.000 1.166 527 G CA 0.154 45.268 45.100 0.023 0.000 0.767 527 G HN 0.437 nan 8.290 nan 0.000 0.546 528 S N -0.358 115.366 115.700 0.041 0.000 2.589 528 S HA 0.261 4.711 4.470 -0.032 0.000 0.265 528 S C 1.599 176.224 174.600 0.041 0.000 1.342 528 S CA 0.472 58.710 58.200 0.063 0.000 1.005 528 S CB 1.567 64.817 63.200 0.084 0.000 0.909 528 S HN 0.070 nan 8.310 nan 0.000 0.555 529 S N 0.432 116.155 115.700 0.038 0.000 2.356 529 S HA -0.142 4.309 4.470 -0.032 0.000 0.223 529 S C 1.716 176.318 174.600 0.003 0.000 1.032 529 S CA 1.194 59.357 58.200 -0.061 0.000 1.005 529 S CB -0.830 62.182 63.200 -0.313 0.000 0.867 529 S HN 0.705 nan 8.310 nan 0.000 0.449 530 I N 1.997 122.616 120.570 0.080 0.000 2.361 530 I HA -0.029 4.122 4.170 -0.032 0.000 0.251 530 I C 2.270 178.421 176.117 0.056 0.000 1.133 530 I CA 1.385 62.755 61.300 0.117 0.000 1.413 530 I CB -0.864 37.210 38.000 0.123 0.000 1.073 530 I HN 0.328 nan 8.210 nan 0.000 0.424 531 A N 0.345 123.181 122.820 0.027 0.000 1.969 531 A HA -0.147 4.153 4.320 -0.032 0.000 0.218 531 A C 2.435 180.023 177.584 0.008 0.000 1.169 531 A CA 1.354 53.391 52.037 -0.000 0.000 0.635 531 A CB -0.520 18.483 19.000 0.005 0.000 0.810 531 A HN 0.450 nan 8.150 nan 0.000 0.445 532 R N -0.735 119.774 120.500 0.015 0.000 2.075 532 R HA 0.013 4.334 4.340 -0.032 0.000 0.226 532 R C 2.274 178.581 176.300 0.013 0.000 1.114 532 R CA 1.213 57.318 56.100 0.008 0.000 0.972 532 R CB -0.236 30.062 30.300 -0.003 0.000 0.869 532 R HN 0.457 nan 8.270 nan 0.000 0.437 533 R N 0.208 120.737 120.500 0.048 0.000 2.153 533 R HA 0.087 4.408 4.340 -0.032 0.000 0.218 533 R C 0.869 177.291 176.300 0.203 0.000 1.072 533 R CA 0.989 57.139 56.100 0.084 0.000 0.990 533 R CB 0.306 30.669 30.300 0.106 0.000 0.889 533 R HN 0.046 nan 8.270 nan 0.000 0.452 534 A N 0.216 123.151 122.820 0.191 0.000 2.985 534 A HA 0.501 4.801 4.320 -0.032 0.000 0.303 534 A C 1.017 178.518 177.584 -0.140 0.000 1.048 534 A CA -0.174 51.943 52.037 0.135 0.000 1.016 534 A CB 0.383 19.360 19.000 -0.039 0.000 1.118 534 A HN 0.229 nan 8.150 nan 0.000 0.529 535 A N 0.162 122.965 122.820 -0.029 0.000 2.019 535 A HA -0.004 4.297 4.320 -0.032 0.000 0.219 535 A C 1.736 179.320 177.584 -0.000 0.000 1.164 535 A CA 1.691 53.717 52.037 -0.019 0.000 0.644 535 A CB -0.923 18.084 19.000 0.013 0.000 0.805 535 A HN 1.355 nan 8.150 nan 0.000 0.449 536 F N -0.327 119.474 119.950 -0.248 0.000 2.216 536 F HA 0.043 4.550 4.527 -0.033 0.000 0.300 536 F C 2.045 177.892 175.800 0.079 0.000 1.085 536 F CA 0.800 58.565 58.000 -0.393 0.000 1.326 536 F CB -0.882 37.772 39.000 -0.577 0.000 1.027 536 F HN 0.137 nan 8.300 nan 0.000 0.497 537 A N 0.566 122.743 122.820 -1.072 0.000 2.168 537 A HA -0.039 4.262 4.320 -0.032 0.000 0.215 537 A C 2.154 179.581 177.584 -0.260 0.000 1.152 537 A CA 1.443 52.991 52.037 -0.814 0.000 0.716 537 A CB -1.510 16.840 19.000 -1.083 0.000 0.794 537 A HN 0.590 nan 8.150 nan 0.000 0.465 538 T N -3.511 110.991 114.554 -0.087 0.000 3.088 538 T HA 0.160 4.490 4.350 -0.032 0.000 0.259 538 T C 0.676 175.396 174.700 0.034 0.000 1.122 538 T CA 0.363 62.458 62.100 -0.008 0.000 1.095 538 T CB 0.078 68.962 68.868 0.026 0.000 0.930 538 T HN 0.116 nan 8.240 nan 0.000 0.508 539 K N 0.934 121.404 120.400 0.117 0.000 2.435 539 K HA 0.406 4.707 4.320 -0.032 0.000 0.251 539 K C -0.458 176.191 176.600 0.081 0.000 0.954 539 K CA -0.515 55.762 56.287 -0.017 0.000 0.820 539 K CB 2.081 34.348 32.500 -0.389 0.000 1.292 539 K HN -0.037 nan 8.250 nan 0.000 0.436 540 D N 0.250 120.658 120.400 0.013 0.000 2.194 540 D HA 0.015 4.636 4.640 -0.032 0.000 0.204 540 D C -0.006 176.330 176.300 0.060 0.000 0.964 540 D CA 0.672 54.729 54.000 0.095 0.000 0.846 540 D CB 0.349 41.258 40.800 0.182 0.000 0.962 540 D HN 0.128 nan 8.370 nan 0.000 0.490 541 L N -0.240 120.854 121.223 -0.214 0.000 2.493 541 L HA 0.449 4.770 4.340 -0.032 0.000 0.265 541 L C -2.042 174.686 176.870 -0.237 0.000 0.954 541 L CA -0.657 54.028 54.840 -0.258 0.000 0.844 541 L CB 1.490 42.948 42.059 -1.002 0.000 1.302 541 L HN -0.138 nan 8.230 nan 0.000 0.405 542 W N 4.343 125.628 121.300 -0.025 0.000 2.819 542 W HA 0.758 5.399 4.660 -0.033 0.000 0.337 542 W C -1.136 175.501 176.519 0.196 0.000 1.077 542 W CA -0.831 56.543 57.345 0.049 0.000 1.226 542 W CB 2.021 31.480 29.460 -0.001 0.000 1.419 542 W HN 0.152 nan 8.180 nan 0.000 0.502 543 V N 2.828 122.961 119.914 0.366 0.000 2.483 543 V HA 0.683 4.784 4.120 -0.032 0.000 0.297 543 V C -0.057 176.245 176.094 0.348 0.000 1.027 543 V CA -0.784 61.714 62.300 0.330 0.000 0.855 543 V CB 1.315 33.242 31.823 0.173 0.000 0.995 543 V HN 0.594 nan 8.190 nan 0.000 0.424 544 T N 1.675 116.488 114.554 0.433 0.000 2.930 544 T HA 0.752 5.082 4.350 -0.032 0.000 0.290 544 T C -0.442 174.411 174.700 0.255 0.000 1.052 544 T CA -0.968 61.346 62.100 0.358 0.000 1.017 544 T CB 2.135 71.298 68.868 0.492 0.000 1.137 544 T HN 0.490 nan 8.240 nan 0.000 0.511 545 R N 0.861 121.469 120.500 0.180 0.000 2.340 545 R HA 0.330 4.651 4.340 -0.032 0.000 0.300 545 R C -0.876 175.504 176.300 0.133 0.000 1.069 545 R CA -0.915 55.269 56.100 0.141 0.000 0.984 545 R CB -0.539 29.818 30.300 0.095 0.000 1.003 545 R HN 0.783 nan 8.270 nan 0.000 0.459 546 Y N 3.025 123.334 120.300 0.015 0.000 2.597 546 Y HA 0.331 4.861 4.550 -0.032 0.000 0.336 546 Y C -0.754 175.106 175.900 -0.067 0.000 1.216 546 Y CA 0.731 58.810 58.100 -0.035 0.000 1.463 546 Y CB 0.564 38.985 38.460 -0.065 0.000 1.303 546 Y HN 0.737 nan 8.280 nan 0.000 0.576 547 A N 4.770 127.020 122.820 -0.951 0.000 2.437 547 A HA 0.287 4.587 4.320 -0.032 0.000 0.293 547 A C 0.132 177.102 177.584 -1.024 0.000 1.038 547 A CA -0.329 51.253 52.037 -0.758 0.000 0.708 547 A CB 0.578 19.325 19.000 -0.421 0.000 1.251 547 A HN 0.853 nan 8.150 nan 0.000 0.409 548 D N 1.774 121.729 120.400 -0.742 0.000 2.228 548 D HA -0.225 4.396 4.640 -0.032 0.000 0.203 548 D C 0.740 176.849 176.300 -0.318 0.000 0.988 548 D CA 1.875 55.611 54.000 -0.440 0.000 0.864 548 D CB -0.023 40.692 40.800 -0.142 0.000 0.928 548 D HN 0.580 nan 8.370 nan 0.000 0.469 549 D N 0.008 120.228 120.400 -0.300 0.000 2.339 549 D HA -0.071 4.549 4.640 -0.032 0.000 0.217 549 D C -0.121 176.004 176.300 -0.292 0.000 1.050 549 D CA -0.066 53.802 54.000 -0.221 0.000 0.856 549 D CB -0.624 40.091 40.800 -0.142 0.000 0.922 549 D HN 0.299 nan 8.370 nan 0.000 0.518 550 E N 0.763 120.697 120.200 -0.443 0.000 2.026 550 E HA 0.277 4.608 4.350 -0.032 0.000 0.253 550 E C 0.530 176.983 176.600 -0.245 0.000 1.056 550 E CA -0.235 55.820 56.400 -0.574 0.000 0.927 550 E CB 0.763 29.877 29.700 -0.976 0.000 1.172 550 E HN 0.179 nan 8.360 nan 0.000 0.445 551 R N 1.034 121.370 120.500 -0.274 0.000 2.225 551 R HA 0.117 4.438 4.340 -0.032 0.000 0.194 551 R C -0.161 175.773 176.300 -0.610 0.000 0.957 551 R CA 0.529 56.297 56.100 -0.553 0.000 1.042 551 R CB 0.483 30.174 30.300 -1.014 0.000 1.004 551 R HN 0.271 nan 8.270 nan 0.000 0.509 552 Y N -0.062 120.370 120.300 0.220 0.000 2.477 552 Y HA 0.297 4.827 4.550 -0.032 0.000 0.347 552 Y C -1.846 174.024 175.900 -0.049 0.000 0.981 552 Y CA -3.109 55.058 58.100 0.112 0.000 1.033 552 Y CB 1.535 39.956 38.460 -0.066 0.000 1.245 552 Y HN -0.207 nan 8.280 nan 0.000 0.455 553 P HA -0.082 nan 4.420 nan 0.000 0.226 553 P C 0.648 177.621 177.300 -0.546 0.000 1.153 553 P CA 1.424 64.123 63.100 -0.669 0.000 0.777 553 P CB 0.194 31.380 31.700 -0.857 0.000 0.794 554 T N -4.695 109.669 114.554 -0.317 0.000 3.054 554 T HA 0.507 4.838 4.350 -0.032 0.000 0.255 554 T C 0.913 175.455 174.700 -0.263 0.000 1.035 554 T CA 0.119 62.082 62.100 -0.229 0.000 0.941 554 T CB 0.027 68.841 68.868 -0.089 0.000 1.026 554 T HN 0.337 nan 8.240 nan 0.000 0.533 555 G N 1.401 110.096 108.800 -0.175 0.000 2.710 555 G HA2 -0.152 3.789 3.960 -0.032 0.000 0.668 555 G HA3 -0.152 3.789 3.960 -0.032 0.000 0.668 555 G C -0.250 174.599 174.900 -0.086 0.000 1.320 555 G CA -0.118 44.909 45.100 -0.121 0.000 0.860 555 G HN 0.156 nan 8.290 nan 0.000 0.538 556 D N -0.610 119.679 120.400 -0.185 0.000 2.194 556 D HA 0.064 4.684 4.640 -0.032 0.000 0.204 556 D C 0.741 176.528 176.300 -0.855 0.000 0.964 556 D CA 1.451 55.150 54.000 -0.502 0.000 0.846 556 D CB 0.084 40.437 40.800 -0.746 0.000 0.962 556 D HN 0.203 nan 8.370 nan 0.000 0.490 557 F N 0.634 120.503 119.950 -0.135 0.000 2.451 557 F HA 0.202 4.709 4.527 -0.033 0.000 0.367 557 F C 1.126 176.835 175.800 -0.151 0.000 1.100 557 F CA -0.604 57.294 58.000 -0.169 0.000 1.171 557 F CB 1.172 40.054 39.000 -0.196 0.000 1.405 557 F HN -0.353 nan 8.300 nan 0.000 0.482 558 V N -0.059 119.786 119.914 -0.116 0.000 2.379 558 V HA -0.185 3.916 4.120 -0.032 0.000 0.245 558 V C 1.298 177.267 176.094 -0.208 0.000 1.044 558 V CA 0.742 62.899 62.300 -0.239 0.000 1.036 558 V CB -0.515 31.080 31.823 -0.381 0.000 0.664 558 V HN 0.657 nan 8.190 nan 0.000 0.453 559 N N 1.372 119.993 118.700 -0.133 0.000 2.315 559 N HA -0.099 4.621 4.740 -0.032 0.000 0.270 559 N C 0.603 176.057 175.510 -0.094 0.000 1.329 559 N CA 0.776 53.756 53.050 -0.117 0.000 0.860 559 N CB -0.246 38.182 38.487 -0.098 0.000 1.095 559 N HN 0.503 nan 8.380 nan 0.000 0.487 560 Q N -0.414 119.324 119.800 -0.104 0.000 2.480 560 Q HA -0.316 4.004 4.340 -0.032 0.000 0.265 560 Q C -0.508 175.428 176.000 -0.107 0.000 1.072 560 Q CA 0.841 56.584 55.803 -0.100 0.000 1.018 560 Q CB -1.594 27.084 28.738 -0.099 0.000 1.433 560 Q HN 0.686 nan 8.270 nan 0.000 0.513 561 H N -0.094 118.878 119.070 -0.164 0.000 2.652 561 H HA 0.192 4.728 4.556 -0.033 0.000 0.349 561 H C 1.108 176.347 175.328 -0.148 0.000 1.099 561 H CA 1.067 57.031 56.048 -0.140 0.000 1.417 561 H CB 1.668 31.348 29.762 -0.137 0.000 1.457 561 H HN 0.168 nan 8.280 nan 0.000 0.568 562 S N 2.439 117.932 115.700 -0.345 0.000 2.353 562 S HA 0.024 4.475 4.470 -0.032 0.000 0.222 562 S C 0.651 175.269 174.600 0.031 0.000 1.035 562 S CA 1.299 59.410 58.200 -0.147 0.000 1.025 562 S CB -0.300 62.773 63.200 -0.212 0.000 0.902 562 S HN 1.076 nan 8.310 nan 0.000 0.440 563 G N -3.034 105.910 108.800 0.240 0.000 2.350 563 G HA2 0.446 4.386 3.960 -0.032 0.000 0.305 563 G HA3 0.446 4.386 3.960 -0.032 0.000 0.305 563 G C 0.426 175.364 174.900 0.063 0.000 1.479 563 G CA -0.021 45.138 45.100 0.098 0.000 0.949 563 G HN 1.197 nan 8.290 nan 0.000 0.651 564 G N -1.393 107.385 108.800 -0.037 0.000 2.148 564 G HA2 0.212 4.153 3.960 -0.032 0.000 0.254 564 G HA3 0.212 4.153 3.960 -0.032 0.000 0.254 564 G C 0.907 175.700 174.900 -0.179 0.000 0.981 564 G CA 1.368 46.420 45.100 -0.080 0.000 0.670 564 G HN 2.388 nan 8.290 nan 0.000 0.528 565 A N -0.564 122.070 122.820 -0.310 0.000 2.351 565 A HA 0.900 5.200 4.320 -0.032 0.000 0.257 565 A C 1.776 179.053 177.584 -0.512 0.000 1.087 565 A CA 1.585 53.348 52.037 -0.458 0.000 0.798 565 A CB 0.439 18.952 19.000 -0.811 0.000 1.033 565 A HN 2.424 nan 8.150 nan 0.000 0.488 566 G N -0.354 108.047 108.800 -0.664 0.000 2.527 566 G HA2 -0.254 3.687 3.960 -0.032 0.000 0.268 566 G HA3 -0.254 3.687 3.960 -0.032 0.000 0.268 566 G C 0.924 174.850 174.900 -1.624 0.000 1.175 566 G CA 0.348 44.752 45.100 -1.160 0.000 0.962 566 G HN 1.168 nan 8.290 nan 0.000 0.560 567 L N 1.774 122.192 121.223 -1.343 0.000 2.034 567 L HA -0.144 4.177 4.340 -0.032 0.000 0.217 567 L C 0.328 176.800 176.870 -0.663 0.000 1.077 567 L CA 2.870 57.006 54.840 -1.172 0.000 0.769 567 L CB -1.316 39.812 42.059 -1.551 0.000 0.890 567 L HN 0.436 nan 8.230 nan 0.000 0.435 568 P HA -0.150 nan 4.420 nan 0.000 0.218 568 P C 1.821 179.053 177.300 -0.114 0.000 1.148 568 P CA 1.434 64.451 63.100 -0.139 0.000 0.822 568 P CB 0.094 31.736 31.700 -0.096 0.000 0.784 569 S N -2.047 113.515 115.700 -0.230 0.000 2.377 569 S HA -0.128 4.323 4.470 -0.032 0.000 0.223 569 S C 1.765 176.394 174.600 0.049 0.000 1.030 569 S CA 0.796 58.937 58.200 -0.099 0.000 0.970 569 S CB -0.873 62.250 63.200 -0.129 0.000 0.830 569 S HN -0.031 nan 8.310 nan 0.000 0.473 570 Y N 1.817 122.052 120.300 -0.108 0.000 2.128 570 Y HA -0.018 4.513 4.550 -0.032 0.000 0.284 570 Y C 2.363 178.250 175.900 -0.022 0.000 1.154 570 Y CA -0.020 58.031 58.100 -0.083 0.000 1.149 570 Y CB -1.054 37.319 38.460 -0.145 0.000 0.976 570 Y HN 0.253 nan 8.280 nan 0.000 0.505 571 I N -0.031 120.631 120.570 0.153 0.000 2.361 571 I HA -0.232 3.919 4.170 -0.032 0.000 0.251 571 I C 2.450 178.631 176.117 0.107 0.000 1.133 571 I CA 1.353 62.742 61.300 0.149 0.000 1.413 571 I CB -1.527 36.596 38.000 0.206 0.000 1.073 571 I HN 0.134 nan 8.210 nan 0.000 0.424 572 A N 0.212 123.082 122.820 0.082 0.000 2.131 572 A HA -0.226 4.075 4.320 -0.032 0.000 0.220 572 A C 2.164 179.783 177.584 0.058 0.000 1.158 572 A CA 1.219 53.292 52.037 0.060 0.000 0.665 572 A CB -0.547 18.478 19.000 0.042 0.000 0.795 572 A HN 0.547 nan 8.150 nan 0.000 0.460 573 Q N -1.573 118.268 119.800 0.069 0.000 2.167 573 Q HA -0.102 4.219 4.340 -0.032 0.000 0.202 573 Q C 0.242 176.274 176.000 0.053 0.000 0.970 573 Q CA 0.631 56.467 55.803 0.056 0.000 0.855 573 Q CB -0.020 28.751 28.738 0.055 0.000 0.911 573 Q HN 0.620 nan 8.270 nan 0.000 0.438 574 D N 0.276 120.714 120.400 0.064 0.000 2.716 574 D HA -0.149 4.471 4.640 -0.032 0.000 0.239 574 D C -0.931 175.402 176.300 0.055 0.000 1.125 574 D CA 0.512 54.547 54.000 0.059 0.000 0.681 574 D CB -0.649 40.179 40.800 0.047 0.000 1.070 574 D HN 0.187 nan 8.370 nan 0.000 0.432 575 R N 0.148 120.686 120.500 0.063 0.000 2.649 575 R HA 0.381 4.701 4.340 -0.032 0.000 0.270 575 R C 0.147 176.484 176.300 0.063 0.000 1.105 575 R CA -0.444 55.690 56.100 0.057 0.000 1.193 575 R CB 0.358 30.693 30.300 0.058 0.000 1.120 575 R HN 0.181 nan 8.270 nan 0.000 0.561 576 D N 1.189 121.624 120.400 0.057 0.000 2.325 576 D HA 0.076 4.696 4.640 -0.032 0.000 0.251 576 D C 0.616 176.959 176.300 0.070 0.000 1.196 576 D CA -0.120 53.915 54.000 0.058 0.000 0.866 576 D CB 0.529 41.358 40.800 0.049 0.000 1.101 576 D HN 0.507 nan 8.370 nan 0.000 0.476 577 I N -0.042 120.574 120.570 0.077 0.000 4.082 577 I HA 0.321 4.471 4.170 -0.032 0.000 0.337 577 I C 0.430 176.595 176.117 0.081 0.000 1.352 577 I CA -0.406 60.948 61.300 0.088 0.000 1.097 577 I CB 0.330 38.393 38.000 0.105 0.000 1.048 577 I HN 0.126 nan 8.210 nan 0.000 0.393 578 D N 3.236 123.677 120.400 0.069 0.000 2.455 578 D HA 0.296 4.916 4.640 -0.032 0.000 0.234 578 D C 1.098 177.433 176.300 0.058 0.000 1.224 578 D CA 0.730 54.767 54.000 0.062 0.000 0.999 578 D CB -0.009 40.823 40.800 0.053 0.000 1.072 578 D HN 0.562 nan 8.370 nan 0.000 0.514 579 G N 3.056 111.894 108.800 0.064 0.000 2.325 579 G HA2 -0.178 3.763 3.960 -0.032 0.000 0.248 579 G HA3 -0.178 3.763 3.960 -0.032 0.000 0.248 579 G C -0.079 174.860 174.900 0.066 0.000 1.108 579 G CA -0.342 44.794 45.100 0.060 0.000 0.881 579 G HN 0.478 nan 8.290 nan 0.000 0.494 580 Q N -0.711 119.136 119.800 0.079 0.000 2.882 580 Q HA 0.415 4.735 4.340 -0.032 0.000 0.315 580 Q C -0.956 175.109 176.000 0.109 0.000 1.004 580 Q CA -0.898 54.956 55.803 0.085 0.000 0.777 580 Q CB 0.904 29.690 28.738 0.080 0.000 1.506 580 Q HN 0.233 nan 8.270 nan 0.000 0.489 581 D N 1.821 122.286 120.400 0.108 0.000 2.344 581 D HA 0.307 4.928 4.640 -0.032 0.000 0.253 581 D C -0.416 175.971 176.300 0.145 0.000 1.255 581 D CA 0.023 54.097 54.000 0.124 0.000 0.894 581 D CB -0.275 40.523 40.800 -0.003 0.000 1.067 581 D HN 0.424 nan 8.370 nan 0.000 0.492 582 I N 0.082 120.739 120.570 0.145 0.000 2.957 582 I HA 0.677 4.828 4.170 -0.032 0.000 0.310 582 I C -0.892 175.286 176.117 0.102 0.000 1.063 582 I CA -1.082 60.301 61.300 0.138 0.000 1.033 582 I CB 2.200 40.273 38.000 0.122 0.000 1.230 582 I HN -0.094 nan 8.210 nan 0.000 0.447 583 V N 3.760 123.727 119.914 0.088 0.000 2.588 583 V HA 0.446 4.546 4.120 -0.032 0.000 0.304 583 V C -0.220 175.819 176.094 -0.092 0.000 1.042 583 V CA -0.682 61.566 62.300 -0.086 0.000 0.877 583 V CB 1.913 33.604 31.823 -0.219 0.000 0.996 583 V HN 0.573 nan 8.190 nan 0.000 0.425 584 V N 3.618 123.424 119.914 -0.180 0.000 2.435 584 V HA 0.497 4.597 4.120 -0.032 0.000 0.290 584 V C -1.212 174.812 176.094 -0.117 0.000 1.030 584 V CA -0.475 61.803 62.300 -0.037 0.000 0.881 584 V CB 1.732 33.542 31.823 -0.022 0.000 0.983 584 V HN 0.926 nan 8.190 nan 0.000 0.445 585 W N 4.058 125.406 121.300 0.080 0.000 2.424 585 W HA 0.516 5.156 4.660 -0.033 0.000 0.318 585 W C -0.229 176.389 176.519 0.164 0.000 1.016 585 W CA -0.683 56.715 57.345 0.088 0.000 1.268 585 W CB 0.512 29.999 29.460 0.044 0.000 1.297 585 W HN 0.598 nan 8.180 nan 0.000 0.428 586 H N 1.673 120.844 119.070 0.167 0.000 2.504 586 H HA 0.501 5.037 4.556 -0.032 0.000 0.322 586 H C -0.335 175.197 175.328 0.340 0.000 1.055 586 H CA -0.263 55.844 56.048 0.099 0.000 1.231 586 H CB 0.988 30.597 29.762 -0.256 0.000 1.417 586 H HN 0.189 nan 8.280 nan 0.000 0.472 587 T N 7.386 121.943 114.554 0.004 0.000 2.780 587 T HA 0.398 4.729 4.350 -0.032 0.000 0.294 587 T C -0.978 173.642 174.700 -0.135 0.000 0.949 587 T CA -0.197 61.930 62.100 0.045 0.000 1.074 587 T CB -0.391 68.592 68.868 0.191 0.000 0.910 587 T HN 0.494 nan 8.240 nan 0.000 0.501 588 F N 0.088 119.929 119.950 -0.181 0.000 2.615 588 F HA 0.845 5.353 4.527 -0.032 0.000 0.312 588 F C -0.239 175.629 175.800 0.114 0.000 1.119 588 F CA -1.184 56.768 58.000 -0.080 0.000 0.979 588 F CB 1.075 40.012 39.000 -0.105 0.000 1.266 588 F HN 0.773 nan 8.300 nan 0.000 0.444 589 G N 1.875 110.750 108.800 0.125 0.000 2.600 589 G HA2 0.593 4.534 3.960 -0.032 0.000 0.293 589 G HA3 0.593 4.534 3.960 -0.032 0.000 0.293 589 G C -2.454 172.473 174.900 0.044 0.000 1.408 589 G CA -1.163 43.985 45.100 0.080 0.000 0.782 589 G HN 0.824 nan 8.290 nan 0.000 0.482 590 L N 0.860 122.057 121.223 -0.044 0.000 2.307 590 L HA 0.501 4.822 4.340 -0.032 0.000 0.284 590 L C 0.032 176.729 176.870 -0.288 0.000 1.023 590 L CA -0.631 54.112 54.840 -0.162 0.000 0.810 590 L CB 2.078 43.918 42.059 -0.364 0.000 1.231 590 L HN 0.408 nan 8.230 nan 0.000 0.423 591 T N 1.348 115.770 114.554 -0.219 0.000 2.744 591 T HA 0.332 4.662 4.350 -0.032 0.000 0.291 591 T C -0.494 173.981 174.700 -0.376 0.000 0.957 591 T CA -0.280 61.598 62.100 -0.370 0.000 1.002 591 T CB 0.130 68.802 68.868 -0.326 0.000 0.919 591 T HN 0.416 nan 8.240 nan 0.000 0.468 592 H N 2.016 120.653 119.070 -0.720 0.000 2.539 592 H HA 0.347 4.883 4.556 -0.032 0.000 0.332 592 H C -1.000 173.871 175.328 -0.761 0.000 1.031 592 H CA -0.903 54.751 56.048 -0.657 0.000 1.206 592 H CB 0.913 30.297 29.762 -0.630 0.000 1.446 592 H HN 0.492 nan 8.280 nan 0.000 0.496 593 F N 4.078 123.902 119.950 -0.210 0.000 2.363 593 F HA 0.263 4.770 4.527 -0.034 0.000 0.366 593 F C -2.196 173.567 175.800 -0.062 0.000 1.083 593 F CA -2.504 55.322 58.000 -0.290 0.000 1.176 593 F CB 0.696 39.382 39.000 -0.524 0.000 1.432 593 F HN 0.380 nan 8.300 nan 0.000 0.482 594 P HA -0.031 nan 4.420 nan 0.000 0.263 594 P C -0.240 177.140 177.300 0.133 0.000 1.168 594 P CA 0.200 63.401 63.100 0.169 0.000 0.759 594 P CB 0.519 32.374 31.700 0.259 0.000 0.782 595 R N 1.784 122.328 120.500 0.074 0.000 2.782 595 R HA 0.412 4.733 4.340 -0.032 0.000 0.258 595 R C 0.482 176.812 176.300 0.051 0.000 1.055 595 R CA -0.847 55.282 56.100 0.047 0.000 1.065 595 R CB 0.217 30.532 30.300 0.025 0.000 1.172 595 R HN 0.079 nan 8.270 nan 0.000 0.510 596 V N 1.123 121.054 119.914 0.028 0.000 2.568 596 V HA -0.223 3.877 4.120 -0.032 0.000 0.253 596 V C 1.945 178.095 176.094 0.094 0.000 1.072 596 V CA 2.071 64.396 62.300 0.042 0.000 1.084 596 V CB -0.868 30.961 31.823 0.010 0.000 0.676 596 V HN 0.839 nan 8.190 nan 0.000 0.469 597 E N -0.429 119.811 120.200 0.066 0.000 2.511 597 E HA -0.129 4.201 4.350 -0.032 0.000 0.196 597 E C 0.909 177.556 176.600 0.078 0.000 1.066 597 E CA 0.532 56.971 56.400 0.065 0.000 0.871 597 E CB -0.294 29.424 29.700 0.031 0.000 0.863 597 E HN 0.544 nan 8.360 nan 0.000 0.520 598 D N -0.098 120.367 120.400 0.107 0.000 2.355 598 D HA -0.020 4.601 4.640 -0.032 0.000 0.218 598 D C -0.085 176.356 176.300 0.236 0.000 1.004 598 D CA 0.239 54.311 54.000 0.120 0.000 0.880 598 D CB 0.118 40.983 40.800 0.108 0.000 0.911 598 D HN 0.280 nan 8.370 nan 0.000 0.528 599 W N 1.723 123.019 121.300 -0.008 0.000 2.516 599 W HA 0.226 4.863 4.660 -0.037 0.000 0.343 599 W C -1.964 174.559 176.519 0.007 0.000 1.094 599 W CA -2.028 55.318 57.345 0.000 0.000 1.250 599 W CB 2.002 31.464 29.460 0.003 0.000 1.308 599 W HN -0.206 nan 8.180 nan 0.000 0.588 600 P HA 0.190 nan 4.420 nan 0.000 0.262 600 P C -0.400 176.485 177.300 -0.692 0.000 1.304 600 P CA 0.499 62.734 63.100 -1.442 0.000 0.859 600 P CB 0.873 31.579 31.700 -1.655 0.000 1.310 601 I N 0.450 120.794 120.570 -0.377 0.000 2.533 601 I HA 0.384 4.535 4.170 -0.032 0.000 0.290 601 I C -0.439 175.559 176.117 -0.198 0.000 1.056 601 I CA -1.859 59.197 61.300 -0.408 0.000 1.057 601 I CB 2.157 39.680 38.000 -0.795 0.000 1.240 601 I HN -0.241 nan 8.210 nan 0.000 0.423 602 M N 8.549 128.080 119.600 -0.116 0.000 2.216 602 M HA 0.656 5.116 4.480 -0.032 0.000 0.356 602 M C -2.635 173.633 176.300 -0.053 0.000 1.205 602 M CA -1.194 54.085 55.300 -0.034 0.000 1.122 602 M CB 0.880 33.501 32.600 0.035 0.000 1.571 602 M HN 0.218 nan 8.290 nan 0.000 0.464 603 P HA 0.175 nan 4.420 nan 0.000 0.274 603 P C -0.778 176.512 177.300 -0.016 0.000 1.231 603 P CA -0.564 62.516 63.100 -0.034 0.000 0.790 603 P CB 0.802 32.486 31.700 -0.027 0.000 0.951 604 V N 2.797 122.710 119.914 -0.002 0.000 2.644 604 V HA -0.052 4.048 4.120 -0.032 0.000 0.305 604 V C 0.577 176.673 176.094 0.004 0.000 1.053 604 V CA 1.143 63.453 62.300 0.017 0.000 1.186 604 V CB -0.199 31.645 31.823 0.036 0.000 0.895 604 V HN 0.593 nan 8.190 nan 0.000 0.490 605 D N 2.711 123.119 120.400 0.013 0.000 2.342 605 D HA 0.683 5.304 4.640 -0.032 0.000 0.243 605 D C -0.192 176.113 176.300 0.008 0.000 1.019 605 D CA -0.200 53.819 54.000 0.031 0.000 0.864 605 D CB 2.183 43.044 40.800 0.101 0.000 1.315 605 D HN 0.720 nan 8.370 nan 0.000 0.468 606 T N -1.035 113.519 114.554 0.000 0.000 2.916 606 T HA 0.820 5.151 4.350 -0.032 0.000 0.292 606 T C -0.377 174.324 174.700 0.001 0.000 1.064 606 T CA -0.661 61.411 62.100 -0.047 0.000 1.011 606 T CB 1.257 70.083 68.868 -0.070 0.000 1.152 606 T HN 0.270 nan 8.240 nan 0.000 0.510 607 V N -1.790 118.089 119.914 -0.059 0.000 3.232 607 V HA 1.041 5.141 4.120 -0.032 0.000 0.303 607 V C 0.333 176.322 176.094 -0.174 0.000 1.311 607 V CA -0.300 62.021 62.300 0.035 0.000 1.061 607 V CB 1.167 33.056 31.823 0.110 0.000 1.085 607 V HN 1.632 nan 8.190 nan 0.000 0.447 608 G N 0.140 108.678 108.800 -0.436 0.000 2.356 608 G HA2 0.763 4.703 3.960 -0.032 0.000 0.281 608 G HA3 0.763 4.703 3.960 -0.032 0.000 0.281 608 G C -1.668 172.619 174.900 -1.022 0.000 1.246 608 G CA 0.236 44.874 45.100 -0.771 0.000 0.889 608 G HN 2.143 nan 8.290 nan 0.000 0.486 609 F N -1.203 118.350 119.950 -0.661 0.000 2.858 609 F HA 0.865 5.372 4.527 -0.033 0.000 0.319 609 F C -1.077 174.676 175.800 -0.079 0.000 1.166 609 F CA -0.856 56.947 58.000 -0.329 0.000 0.899 609 F CB 1.372 40.192 39.000 -0.299 0.000 1.332 609 F HN 0.898 nan 8.300 nan 0.000 0.461 610 K N 0.779 121.360 120.400 0.302 0.000 2.555 610 K HA 0.833 5.134 4.320 -0.032 0.000 0.279 610 K C -2.495 174.354 176.600 0.415 0.000 0.986 610 K CA -1.058 55.390 56.287 0.269 0.000 0.880 610 K CB 2.589 35.203 32.500 0.190 0.000 1.474 610 K HN 0.755 nan 8.250 nan 0.000 0.433 611 L N 1.337 122.802 121.223 0.403 0.000 2.381 611 L HA 0.573 4.894 4.340 -0.032 0.000 0.274 611 L C -0.645 176.485 176.870 0.433 0.000 0.988 611 L CA -0.560 54.529 54.840 0.414 0.000 0.824 611 L CB 2.130 44.454 42.059 0.441 0.000 1.263 611 L HN 0.568 nan 8.230 nan 0.000 0.410 612 R N 3.124 123.799 120.500 0.292 0.000 2.711 612 R HA 0.559 4.880 4.340 -0.032 0.000 0.284 612 R C -2.574 173.506 176.300 -0.367 0.000 0.968 612 R CA -1.930 54.225 56.100 0.092 0.000 0.924 612 R CB 1.700 32.098 30.300 0.163 0.000 1.162 612 R HN 0.287 nan 8.270 nan 0.000 0.465 613 P HA -0.024 nan 4.420 nan 0.000 0.268 613 P C -0.707 176.385 177.300 -0.347 0.000 1.204 613 P CA 0.149 62.635 63.100 -1.023 0.000 0.768 613 P CB 0.792 32.207 31.700 -0.475 0.000 0.842 614 E N 2.116 122.173 120.200 -0.238 0.000 3.037 614 E HA 0.431 4.761 4.350 -0.032 0.000 0.220 614 E C 0.697 177.302 176.600 0.008 0.000 1.142 614 E CA -0.442 55.923 56.400 -0.058 0.000 0.888 614 E CB -0.775 28.908 29.700 -0.029 0.000 1.329 614 E HN 0.674 nan 8.360 nan 0.000 0.409 615 G N 2.871 111.688 108.800 0.030 0.000 2.160 615 G HA2 -0.350 3.591 3.960 -0.032 0.000 0.244 615 G HA3 -0.350 3.591 3.960 -0.032 0.000 0.244 615 G C 0.460 175.384 174.900 0.039 0.000 1.022 615 G CA 0.333 45.456 45.100 0.038 0.000 0.741 615 G HN 0.519 nan 8.290 nan 0.000 0.508 616 F N 0.075 119.937 119.950 -0.147 0.000 2.187 616 F HA 0.480 4.988 4.527 -0.032 0.000 0.295 616 F C 1.349 176.910 175.800 -0.398 0.000 1.091 616 F CA 0.550 58.375 58.000 -0.292 0.000 1.308 616 F CB 0.043 38.792 39.000 -0.418 0.000 1.030 616 F HN 0.112 nan 8.300 nan 0.000 0.487 617 F N 0.486 120.456 119.950 0.034 0.000 2.380 617 F HA 0.215 4.723 4.527 -0.033 0.000 0.319 617 F C 1.506 177.267 175.800 -0.064 0.000 1.113 617 F CA -0.648 57.319 58.000 -0.055 0.000 1.056 617 F CB 0.233 39.208 39.000 -0.040 0.000 1.289 617 F HN -0.250 nan 8.300 nan 0.000 0.515 618 D N -0.267 120.227 120.400 0.156 0.000 2.333 618 D HA 0.042 4.663 4.640 -0.032 0.000 0.208 618 D C 0.563 176.897 176.300 0.057 0.000 0.984 618 D CA 0.726 54.764 54.000 0.063 0.000 0.873 618 D CB 0.343 41.164 40.800 0.034 0.000 0.935 618 D HN 0.513 nan 8.370 nan 0.000 0.521 619 R N -1.680 118.865 120.500 0.075 0.000 2.921 619 R HA 0.271 4.591 4.340 -0.032 0.000 0.268 619 R C -0.723 175.569 176.300 -0.014 0.000 1.008 619 R CA -0.734 55.380 56.100 0.023 0.000 0.876 619 R CB 0.503 30.805 30.300 0.003 0.000 1.395 619 R HN -0.164 nan 8.270 nan 0.000 0.443 620 S N 1.146 116.814 115.700 -0.054 0.000 2.544 620 S HA 0.123 4.574 4.470 -0.032 0.000 0.290 620 S C -1.312 173.173 174.600 -0.192 0.000 1.276 620 S CA -1.002 57.129 58.200 -0.116 0.000 1.075 620 S CB 0.506 63.665 63.200 -0.068 0.000 0.849 620 S HN 0.498 nan 8.310 nan 0.000 0.494 621 P HA 0.068 nan 4.420 nan 0.000 0.245 621 P C 0.660 177.858 177.300 -0.170 0.000 1.212 621 P CA 0.321 63.147 63.100 -0.457 0.000 0.774 621 P CB -0.212 30.761 31.700 -1.210 0.000 0.999 622 V N -4.085 115.768 119.914 -0.102 0.000 3.177 622 V HA 0.200 4.300 4.120 -0.032 0.000 0.342 622 V C 1.769 177.883 176.094 0.033 0.000 1.379 622 V CA -0.056 62.239 62.300 -0.010 0.000 1.191 622 V CB -0.931 30.909 31.823 0.029 0.000 1.167 622 V HN -0.103 nan 8.190 nan 0.000 0.471 623 L N 1.355 122.590 121.223 0.020 0.000 2.291 623 L HA -0.013 4.308 4.340 -0.032 0.000 0.214 623 L C 2.202 179.110 176.870 0.064 0.000 1.120 623 L CA 1.548 56.423 54.840 0.059 0.000 0.799 623 L CB -0.364 41.710 42.059 0.024 0.000 0.925 623 L HN 0.541 nan 8.230 nan 0.000 0.446 624 D N -0.598 119.821 120.400 0.031 0.000 2.340 624 D HA -0.017 4.604 4.640 -0.032 0.000 0.220 624 D C 0.728 177.035 176.300 0.011 0.000 1.039 624 D CA 0.016 54.028 54.000 0.021 0.000 0.866 624 D CB -0.215 40.588 40.800 0.005 0.000 0.913 624 D HN 0.017 nan 8.370 nan 0.000 0.523 625 V N 3.457 123.381 119.914 0.016 0.000 2.585 625 V HA 0.119 4.220 4.120 -0.032 0.000 0.296 625 V C -1.417 174.672 176.094 -0.009 0.000 1.035 625 V CA -0.911 61.388 62.300 -0.002 0.000 1.084 625 V CB 0.732 32.559 31.823 0.008 0.000 0.953 625 V HN 0.199 nan 8.190 nan 0.000 0.483 626 P HA 0.239 nan 4.420 nan 0.000 0.275 626 P C 0.334 177.600 177.300 -0.056 0.000 1.266 626 P CA -0.187 62.897 63.100 -0.027 0.000 0.793 626 P CB 1.172 32.860 31.700 -0.019 0.000 1.074 627 A N 0.939 123.723 122.820 -0.060 0.000 1.826 627 A HA -0.043 4.258 4.320 -0.032 0.000 0.214 627 A C 0.692 178.239 177.584 -0.061 0.000 1.212 627 A CA 1.660 53.644 52.037 -0.087 0.000 0.605 627 A CB -1.742 17.214 19.000 -0.072 0.000 0.861 627 A HN 0.756 nan 8.150 nan 0.000 0.447 628 N N 0.000 118.678 118.700 -0.036 0.000 1.763 628 N HA 0.000 4.721 4.740 -0.032 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667