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 1avl_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 IGNXDYGFYW 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 0.000 177.583 177.584 -0.001 0.000 1.274 9 A CA 0.000 52.038 52.037 0.001 0.000 0.836 9 A CB 0.000 19.002 19.000 0.003 0.000 0.831 10 S N 2.726 118.435 115.700 0.016 0.000 2.549 10 S HA 0.427 4.875 4.470 -0.037 0.000 0.283 10 S C -1.022 173.571 174.600 -0.011 0.000 1.320 10 S CA -0.475 57.750 58.200 0.042 0.000 1.058 10 S CB 0.500 63.764 63.200 0.107 0.000 0.882 10 S HN 0.504 nan 8.310 nan 0.000 0.498 11 P HA 0.051 nan 4.420 nan 0.000 0.242 11 P C 0.080 177.027 177.300 -0.588 0.000 1.197 11 P CA 0.686 63.581 63.100 -0.342 0.000 0.765 11 P CB -0.152 31.280 31.700 -0.446 0.000 0.936 12 F N 0.289 120.158 119.950 -0.136 0.000 2.654 12 F HA 0.223 4.728 4.527 -0.037 0.000 0.303 12 F C 1.513 177.242 175.800 -0.119 0.000 1.099 12 F CA -0.788 57.080 58.000 -0.220 0.000 1.270 12 F CB -0.030 38.809 39.000 -0.268 0.000 1.024 12 F HN -0.184 nan 8.300 nan 0.000 0.548 13 R N 0.811 121.338 120.500 0.045 0.000 2.784 13 R HA 0.260 4.578 4.340 -0.037 0.000 0.266 13 R C -0.160 176.162 176.300 0.037 0.000 1.044 13 R CA -0.444 55.688 56.100 0.054 0.000 1.151 13 R CB 0.432 30.754 30.300 0.037 0.000 1.037 13 R HN 0.149 nan 8.270 nan 0.000 0.478 14 L N 1.438 122.695 121.223 0.056 0.000 2.461 14 L HA 0.153 4.471 4.340 -0.037 0.000 0.272 14 L C 0.752 177.659 176.870 0.061 0.000 1.197 14 L CA -0.292 54.584 54.840 0.059 0.000 0.836 14 L CB 0.629 42.718 42.059 0.050 0.000 1.105 14 L HN 0.826 nan 8.230 nan 0.000 0.477 15 A N 2.551 125.422 122.820 0.085 0.000 2.511 15 A HA 0.362 4.660 4.320 -0.037 0.000 0.242 15 A C 0.384 178.033 177.584 0.110 0.000 1.069 15 A CA -0.212 51.923 52.037 0.163 0.000 0.763 15 A CB 0.080 19.241 19.000 0.268 0.000 1.001 15 A HN 0.766 nan 8.150 nan 0.000 0.498 16 S N 1.496 117.255 115.700 0.099 0.000 2.713 16 S HA 0.634 5.082 4.470 -0.037 0.000 0.283 16 S C 1.214 175.824 174.600 0.016 0.000 1.161 16 S CA -0.216 58.010 58.200 0.044 0.000 0.999 16 S CB 1.481 64.701 63.200 0.033 0.000 1.039 16 S HN 1.523 nan 8.310 nan 0.000 0.548 17 A N 1.222 124.041 122.820 -0.001 0.000 1.902 17 A HA 0.128 4.426 4.320 -0.037 0.000 0.217 17 A C 2.147 179.710 177.584 -0.034 0.000 1.181 17 A CA 1.778 53.805 52.037 -0.018 0.000 0.623 17 A CB -1.829 17.163 19.000 -0.014 0.000 0.818 17 A HN 1.152 nan 8.150 nan 0.000 0.443 18 G N -0.369 108.415 108.800 -0.027 0.000 2.440 18 G HA2 -0.225 3.712 3.960 -0.037 0.000 0.218 18 G HA3 -0.225 3.712 3.960 -0.037 0.000 0.218 18 G C 1.414 176.272 174.900 -0.071 0.000 1.154 18 G CA 1.013 46.090 45.100 -0.038 0.000 0.767 18 G HN 0.683 nan 8.290 nan 0.000 0.552 19 E N 0.028 120.183 120.200 -0.075 0.000 2.106 19 E HA -0.055 4.273 4.350 -0.037 0.000 0.192 19 E C 2.519 178.916 176.600 -0.338 0.000 0.984 19 E CA 0.413 56.711 56.400 -0.171 0.000 0.806 19 E CB -0.052 29.609 29.700 -0.065 0.000 0.750 19 E HN 0.323 nan 8.360 nan 0.000 0.458 20 I N 1.218 121.644 120.570 -0.239 0.000 2.179 20 I HA -0.217 3.931 4.170 -0.037 0.000 0.242 20 I C 2.308 178.313 176.117 -0.186 0.000 1.088 20 I CA 1.200 62.356 61.300 -0.240 0.000 1.357 20 I CB -1.168 36.764 38.000 -0.114 0.000 1.051 20 I HN -0.010 nan 8.210 nan 0.000 0.409 21 S N 0.422 116.048 115.700 -0.125 0.000 2.382 21 S HA -0.155 4.293 4.470 -0.037 0.000 0.228 21 S C 1.860 176.398 174.600 -0.104 0.000 1.027 21 S CA 1.036 59.183 58.200 -0.088 0.000 0.991 21 S CB -0.124 63.041 63.200 -0.060 0.000 0.823 21 S HN 0.408 nan 8.310 nan 0.000 0.469 22 E N 0.919 121.039 120.200 -0.134 0.000 2.110 22 E HA -0.070 4.258 4.350 -0.037 0.000 0.193 22 E C 2.252 178.760 176.600 -0.153 0.000 0.988 22 E CA 0.742 57.066 56.400 -0.128 0.000 0.804 22 E CB -0.451 29.171 29.700 -0.130 0.000 0.745 22 E HN 0.351 nan 8.360 nan 0.000 0.458 23 V N 1.237 121.005 119.914 -0.242 0.000 2.407 23 V HA -0.248 3.850 4.120 -0.037 0.000 0.248 23 V C 2.608 178.626 176.094 -0.126 0.000 1.055 23 V CA 1.830 63.990 62.300 -0.233 0.000 1.049 23 V CB -0.517 31.079 31.823 -0.379 0.000 0.662 23 V HN 0.270 nan 8.190 nan 0.000 0.455 24 Q N 0.257 119.992 119.800 -0.108 0.000 2.050 24 Q HA -0.164 4.154 4.340 -0.037 0.000 0.202 24 Q C 2.317 178.293 176.000 -0.040 0.000 0.980 24 Q CA 2.051 57.822 55.803 -0.053 0.000 0.840 24 Q CB -0.499 28.217 28.738 -0.037 0.000 0.898 24 Q HN 0.646 nan 8.270 nan 0.000 0.424 25 G N 1.158 109.928 108.800 -0.049 0.000 2.459 25 G HA2 -0.264 3.674 3.960 -0.037 0.000 0.217 25 G HA3 -0.264 3.674 3.960 -0.037 0.000 0.217 25 G C 1.419 176.300 174.900 -0.032 0.000 1.183 25 G CA 1.071 46.148 45.100 -0.037 0.000 0.776 25 G HN 0.375 nan 8.290 nan 0.000 0.552 26 I N 0.379 120.924 120.570 -0.041 0.000 2.226 26 I HA -0.149 3.999 4.170 -0.037 0.000 0.245 26 I C 2.733 178.839 176.117 -0.017 0.000 1.100 26 I CA 0.753 62.035 61.300 -0.030 0.000 1.374 26 I CB -0.245 37.733 38.000 -0.037 0.000 1.057 26 I HN 0.130 nan 8.210 nan 0.000 0.413 27 L N 0.015 121.227 121.223 -0.018 0.000 2.093 27 L HA -0.175 4.143 4.340 -0.037 0.000 0.208 27 L C 2.775 179.646 176.870 0.002 0.000 1.085 27 L CA 1.264 56.103 54.840 -0.002 0.000 0.755 27 L CB -0.526 41.534 42.059 0.002 0.000 0.904 27 L HN 0.165 nan 8.230 nan 0.000 0.435 28 R N -0.602 119.897 120.500 -0.002 0.000 2.062 28 R HA -0.115 4.203 4.340 -0.037 0.000 0.231 28 R C 2.304 178.602 176.300 -0.002 0.000 1.136 28 R CA 1.905 58.005 56.100 0.001 0.000 0.948 28 R CB -0.644 29.655 30.300 -0.002 0.000 0.845 28 R HN 0.250 nan 8.270 nan 0.000 0.430 29 T N 0.747 115.297 114.554 -0.007 0.000 2.803 29 T HA -0.156 4.172 4.350 -0.037 0.000 0.269 29 T C 1.628 176.326 174.700 -0.004 0.000 1.052 29 T CA 1.474 63.570 62.100 -0.007 0.000 1.136 29 T CB -0.129 68.733 68.868 -0.009 0.000 0.864 29 T HN 0.370 nan 8.240 nan 0.000 0.467 30 A N 0.216 123.035 122.820 -0.001 0.000 2.238 30 A HA 0.515 4.813 4.320 -0.037 0.000 0.208 30 A C 1.795 179.380 177.584 0.003 0.000 1.177 30 A CA 0.701 52.739 52.037 0.002 0.000 0.804 30 A CB -0.654 18.349 19.000 0.005 0.000 0.823 30 A HN 0.717 nan 8.150 nan 0.000 0.482 31 G N -0.984 107.818 108.800 0.002 0.000 2.198 31 G HA2 -0.236 3.702 3.960 -0.037 0.000 0.257 31 G HA3 -0.236 3.702 3.960 -0.037 0.000 0.257 31 G C 0.514 175.417 174.900 0.006 0.000 1.042 31 G CA 0.563 45.665 45.100 0.003 0.000 0.791 31 G HN 0.489 nan 8.290 nan 0.000 0.502 32 L N -1.294 119.935 121.223 0.010 0.000 2.609 32 L HA 0.410 4.727 4.340 -0.037 0.000 0.230 32 L C 1.545 178.427 176.870 0.021 0.000 1.087 32 L CA 0.130 54.980 54.840 0.016 0.000 0.874 32 L CB 0.378 42.450 42.059 0.022 0.000 1.114 32 L HN 0.254 nan 8.230 nan 0.000 0.488 33 L N 1.207 122.443 121.223 0.022 0.000 2.709 33 L HA 0.398 4.716 4.340 -0.037 0.000 0.236 33 L C 0.627 177.519 176.870 0.036 0.000 1.266 33 L CA -0.349 54.511 54.840 0.034 0.000 0.987 33 L CB 0.479 42.561 42.059 0.037 0.000 1.306 33 L HN 0.058 nan 8.230 nan 0.000 0.467 34 G N 0.928 109.745 108.800 0.028 0.000 2.621 34 G HA2 0.218 4.156 3.960 -0.037 0.000 0.271 34 G HA3 0.218 4.156 3.960 -0.037 0.000 0.271 34 G C -1.348 173.578 174.900 0.044 0.000 1.236 34 G CA -0.623 44.492 45.100 0.025 0.000 0.958 34 G HN 0.298 nan 8.290 nan 0.000 0.512 35 P HA -0.080 nan 4.420 nan 0.000 0.219 35 P C 0.892 178.239 177.300 0.078 0.000 1.146 35 P CA 1.153 64.283 63.100 0.049 0.000 0.808 35 P CB 0.385 32.095 31.700 0.016 0.000 0.779 36 E N -0.831 119.394 120.200 0.043 0.000 2.489 36 E HA 0.030 4.358 4.350 -0.037 0.000 0.193 36 E C 0.303 176.905 176.600 0.004 0.000 1.057 36 E CA 0.266 56.681 56.400 0.024 0.000 0.866 36 E CB 0.023 29.717 29.700 -0.011 0.000 0.916 36 E HN 0.139 nan 8.360 nan 0.000 0.500 37 K N 1.001 121.421 120.400 0.034 0.000 2.110 37 K HA 0.398 4.696 4.320 -0.037 0.000 0.263 37 K C -0.091 176.536 176.600 0.045 0.000 0.975 37 K CA -0.537 55.760 56.287 0.017 0.000 0.895 37 K CB 1.340 33.856 32.500 0.027 0.000 1.060 37 K HN -0.122 nan 8.250 nan 0.000 0.448 38 R N 1.707 122.219 120.500 0.020 0.000 2.673 38 R HA 0.468 4.786 4.340 -0.037 0.000 0.281 38 R C -0.135 176.176 176.300 0.019 0.000 0.991 38 R CA -0.761 55.321 56.100 -0.030 0.000 0.896 38 R CB 1.384 31.677 30.300 -0.013 0.000 1.201 38 R HN 0.583 nan 8.270 nan 0.000 0.457 39 I N 2.272 122.819 120.570 -0.038 0.000 2.322 39 I HA 0.117 4.265 4.170 -0.037 0.000 0.292 39 I C 1.291 177.422 176.117 0.022 0.000 1.060 39 I CA -0.016 61.293 61.300 0.015 0.000 1.309 39 I CB 1.558 39.546 38.000 -0.020 0.000 1.415 39 I HN 0.723 nan 8.210 nan 0.000 0.492 40 A N 6.752 129.647 122.820 0.124 0.000 2.072 40 A HA -0.002 4.296 4.320 -0.037 0.000 0.216 40 A C 0.339 178.051 177.584 0.213 0.000 1.156 40 A CA 0.902 53.025 52.037 0.142 0.000 0.701 40 A CB 0.163 19.284 19.000 0.201 0.000 0.816 40 A HN 0.703 nan 8.150 nan 0.000 0.458 41 Y N -2.116 118.210 120.300 0.043 0.000 2.465 41 Y HA 0.519 5.047 4.550 -0.037 0.000 0.323 41 Y C -1.925 173.881 175.900 -0.157 0.000 1.191 41 Y CA -1.078 56.963 58.100 -0.098 0.000 1.082 41 Y CB 0.982 39.301 38.460 -0.234 0.000 1.334 41 Y HN 0.168 nan 8.280 nan 0.000 0.449 42 L N 5.729 126.344 121.223 -1.014 0.000 2.505 42 L HA 0.993 5.310 4.340 -0.037 0.000 0.266 42 L C -1.246 175.175 176.870 -0.748 0.000 0.954 42 L CA -0.166 54.261 54.840 -0.688 0.000 0.852 42 L CB 1.980 43.892 42.059 -0.245 0.000 1.282 42 L HN 0.962 nan 8.230 nan 0.000 0.403 43 G N 3.230 111.730 108.800 -0.500 0.000 2.732 43 G HA2 0.485 4.423 3.960 -0.037 0.000 0.296 43 G HA3 0.485 4.423 3.960 -0.037 0.000 0.296 43 G C -0.982 173.765 174.900 -0.254 0.000 1.448 43 G CA -0.199 44.740 45.100 -0.268 0.000 0.911 43 G HN 0.847 nan 8.290 nan 0.000 0.528 44 V N 0.033 119.643 119.914 -0.507 0.000 2.901 44 V HA 0.511 4.609 4.120 -0.037 0.000 0.307 44 V C 0.411 176.286 176.094 -0.366 0.000 1.084 44 V CA -0.302 61.514 62.300 -0.808 0.000 1.184 44 V CB 0.517 31.909 31.823 -0.718 0.000 0.941 44 V HN 0.617 nan 8.190 nan 0.000 0.493 45 L N 2.755 123.776 121.223 -0.336 0.000 2.357 45 L HA 0.495 4.813 4.340 -0.037 0.000 0.273 45 L C 0.208 176.967 176.870 -0.185 0.000 1.080 45 L CA -0.622 54.116 54.840 -0.170 0.000 0.803 45 L CB 1.243 43.232 42.059 -0.117 0.000 1.174 45 L HN 0.719 nan 8.230 nan 0.000 0.443 46 D N 2.382 122.722 120.400 -0.101 0.000 2.341 46 D HA 0.227 4.845 4.640 -0.037 0.000 0.245 46 D C -2.041 174.170 176.300 -0.148 0.000 1.106 46 D CA -0.927 53.007 54.000 -0.110 0.000 0.905 46 D CB 0.707 41.547 40.800 0.067 0.000 1.202 46 D HN 0.223 nan 8.370 nan 0.000 0.426 47 P HA 0.100 nan 4.420 nan 0.000 0.265 47 P C -0.613 176.635 177.300 -0.086 0.000 1.187 47 P CA -0.056 62.910 63.100 -0.224 0.000 0.766 47 P CB 0.463 31.948 31.700 -0.359 0.000 0.820 48 A N 2.846 125.626 122.820 -0.066 0.000 2.492 48 A HA 0.012 4.310 4.320 -0.037 0.000 0.236 48 A C 1.734 179.292 177.584 -0.043 0.000 1.078 48 A CA 0.060 52.079 52.037 -0.029 0.000 0.773 48 A CB 0.096 19.078 19.000 -0.030 0.000 1.023 48 A HN 0.474 nan 8.150 nan 0.000 0.504 49 R N 1.203 121.672 120.500 -0.051 0.000 2.103 49 R HA -0.104 4.214 4.340 -0.037 0.000 0.242 49 R C 1.585 177.802 176.300 -0.138 0.000 1.142 49 R CA 1.840 57.845 56.100 -0.158 0.000 0.960 49 R CB -0.839 29.356 30.300 -0.174 0.000 0.858 49 R HN 0.804 nan 8.270 nan 0.000 0.439 50 G N -0.924 107.827 108.800 -0.082 0.000 3.458 50 G HA2 0.350 4.288 3.960 -0.037 0.000 0.256 50 G HA3 0.350 4.288 3.960 -0.037 0.000 0.256 50 G C 0.079 174.953 174.900 -0.043 0.000 0.938 50 G CA 0.204 45.267 45.100 -0.062 0.000 1.890 50 G HN 0.360 nan 8.290 nan 0.000 0.639 51 A N 0.559 123.356 122.820 -0.039 0.000 2.416 51 A HA 0.433 4.730 4.320 -0.037 0.000 0.252 51 A C 1.911 179.489 177.584 -0.010 0.000 1.353 51 A CA 0.358 52.380 52.037 -0.026 0.000 0.996 51 A CB -0.011 18.980 19.000 -0.014 0.000 0.961 51 A HN 0.534 nan 8.150 nan 0.000 0.523 52 G N -0.514 108.279 108.800 -0.012 0.000 3.210 52 G HA2 0.283 4.221 3.960 -0.037 0.000 0.220 52 G HA3 0.283 4.221 3.960 -0.037 0.000 0.220 52 G C 0.309 175.204 174.900 -0.007 0.000 1.200 52 G CA 0.195 45.293 45.100 -0.004 0.000 0.834 52 G HN 0.424 nan 8.290 nan 0.000 0.524 53 S N -0.020 115.672 115.700 -0.014 0.000 2.593 53 S HA 0.335 4.783 4.470 -0.037 0.000 0.297 53 S C 0.540 175.129 174.600 -0.018 0.000 1.112 53 S CA -0.679 57.511 58.200 -0.016 0.000 1.043 53 S CB 1.847 65.034 63.200 -0.021 0.000 1.054 53 S HN 0.213 nan 8.310 nan 0.000 0.516 54 E N 0.973 121.164 120.200 -0.015 0.000 2.502 54 E HA 0.071 4.399 4.350 -0.037 0.000 0.194 54 E C 0.533 177.119 176.600 -0.023 0.000 1.062 54 E CA -0.006 56.384 56.400 -0.016 0.000 0.867 54 E CB -0.422 29.271 29.700 -0.012 0.000 0.888 54 E HN 0.622 nan 8.360 nan 0.000 0.510 55 A N 2.484 125.289 122.820 -0.026 0.000 2.752 55 A HA -0.029 4.269 4.320 -0.037 0.000 0.292 55 A C 0.536 178.094 177.584 -0.043 0.000 1.597 55 A CA -0.045 51.974 52.037 -0.030 0.000 1.241 55 A CB -0.671 18.312 19.000 -0.028 0.000 1.061 55 A HN -0.050 nan 8.150 nan 0.000 0.576 56 E N 2.458 122.633 120.200 -0.041 0.000 2.323 56 E HA 0.040 4.368 4.350 -0.037 0.000 0.313 56 E C -0.484 176.086 176.600 -0.049 0.000 1.236 56 E CA -0.081 56.286 56.400 -0.056 0.000 1.333 56 E CB -0.370 29.305 29.700 -0.042 0.000 1.138 56 E HN 0.467 nan 8.360 nan 0.000 0.492 57 D N 2.456 122.822 120.400 -0.057 0.000 2.453 57 D HA 0.079 4.697 4.640 -0.037 0.000 0.223 57 D C -0.591 175.676 176.300 -0.055 0.000 1.183 57 D CA -0.552 53.424 54.000 -0.041 0.000 0.933 57 D CB 0.049 40.827 40.800 -0.036 0.000 1.038 57 D HN 0.149 nan 8.370 nan 0.000 0.513 58 R N 3.143 123.628 120.500 -0.026 0.000 2.309 58 R HA 0.237 4.555 4.340 -0.037 0.000 0.331 58 R C -0.033 176.302 176.300 0.058 0.000 1.116 58 R CA -0.171 55.917 56.100 -0.019 0.000 0.970 58 R CB 0.045 30.376 30.300 0.053 0.000 1.024 58 R HN 0.275 nan 8.270 nan 0.000 0.472 59 R N 3.249 123.721 120.500 -0.047 0.000 2.598 59 R HA 0.447 4.765 4.340 -0.037 0.000 0.279 59 R C -0.877 175.361 176.300 -0.104 0.000 0.984 59 R CA -0.596 55.519 56.100 0.025 0.000 0.999 59 R CB 1.256 31.547 30.300 -0.016 0.000 1.114 59 R HN 0.304 nan 8.270 nan 0.000 0.493 60 F N 0.293 120.224 119.950 -0.032 0.000 2.556 60 F HA 0.424 4.929 4.527 -0.037 0.000 0.314 60 F C 0.228 176.018 175.800 -0.017 0.000 1.106 60 F CA -0.791 57.185 58.000 -0.040 0.000 0.911 60 F CB 1.894 40.860 39.000 -0.057 0.000 1.190 60 F HN 0.185 nan 8.300 nan 0.000 0.448 61 R N 2.317 122.888 120.500 0.117 0.000 2.368 61 R HA 0.844 5.162 4.340 -0.037 0.000 0.302 61 R C -1.713 174.631 176.300 0.074 0.000 1.002 61 R CA -0.476 55.694 56.100 0.116 0.000 0.929 61 R CB 1.342 31.710 30.300 0.113 0.000 1.073 61 R HN 0.555 nan 8.270 nan 0.000 0.464 62 V N 4.641 124.632 119.914 0.129 0.000 2.841 62 V HA 0.496 4.594 4.120 -0.037 0.000 0.310 62 V C -1.147 175.186 176.094 0.398 0.000 1.090 62 V CA -0.838 61.537 62.300 0.125 0.000 0.930 62 V CB 2.050 33.938 31.823 0.109 0.000 1.014 62 V HN 0.563 nan 8.190 nan 0.000 0.425 63 F N 3.948 124.039 119.950 0.235 0.000 2.403 63 F HA 0.621 5.126 4.527 -0.037 0.000 0.355 63 F C 0.053 175.939 175.800 0.144 0.000 1.119 63 F CA -1.696 56.437 58.000 0.221 0.000 1.007 63 F CB 1.371 40.544 39.000 0.287 0.000 1.194 63 F HN 0.224 nan 8.300 nan 0.000 0.443 64 I N 3.861 124.602 120.570 0.286 0.000 2.321 64 I HA 0.210 4.358 4.170 -0.037 0.000 0.291 64 I C -0.305 175.898 176.117 0.142 0.000 0.998 64 I CA -0.711 60.691 61.300 0.170 0.000 1.227 64 I CB 1.270 39.334 38.000 0.106 0.000 1.368 64 I HN 0.503 nan 8.210 nan 0.000 0.466 65 H N 5.925 125.016 119.070 0.035 0.000 2.467 65 H HA 0.282 4.816 4.556 -0.037 0.000 0.331 65 H C -1.013 174.309 175.328 -0.010 0.000 1.120 65 H CA -0.412 55.634 56.048 -0.003 0.000 1.270 65 H CB 1.337 31.092 29.762 -0.011 0.000 1.466 65 H HN 0.526 nan 8.280 nan 0.000 0.504 66 D N 4.334 124.351 120.400 -0.639 0.000 2.303 66 D HA 0.072 4.690 4.640 -0.037 0.000 0.236 66 D C 0.586 176.474 176.300 -0.686 0.000 1.068 66 D CA -0.343 53.370 54.000 -0.478 0.000 0.830 66 D CB 1.738 42.391 40.800 -0.245 0.000 1.109 66 D HN 0.464 nan 8.370 nan 0.000 0.496 67 V N 3.424 123.108 119.914 -0.382 0.000 2.913 67 V HA -0.168 3.930 4.120 -0.037 0.000 0.260 67 V C 2.032 178.067 176.094 -0.098 0.000 1.098 67 V CA 2.059 64.252 62.300 -0.179 0.000 1.121 67 V CB -0.163 31.643 31.823 -0.028 0.000 0.714 67 V HN 0.656 nan 8.190 nan 0.000 0.487 68 S N -1.081 114.554 115.700 -0.107 0.000 2.572 68 S HA 0.379 4.827 4.470 -0.037 0.000 0.228 68 S C 1.425 175.987 174.600 -0.063 0.000 0.963 68 S CA 0.549 58.712 58.200 -0.062 0.000 0.939 68 S CB 0.773 63.946 63.200 -0.046 0.000 0.804 68 S HN 0.950 nan 8.310 nan 0.000 0.480 69 G N 0.620 109.367 108.800 -0.090 0.000 2.194 69 G HA2 -0.119 3.819 3.960 -0.037 0.000 0.236 69 G HA3 -0.119 3.819 3.960 -0.037 0.000 0.236 69 G C 0.396 175.252 174.900 -0.073 0.000 0.987 69 G CA -0.146 44.915 45.100 -0.065 0.000 0.635 69 G HN 1.240 nan 8.290 nan 0.000 0.520 70 A N 0.288 123.055 122.820 -0.088 0.000 2.386 70 A HA 0.666 4.964 4.320 -0.037 0.000 0.246 70 A C 0.895 178.427 177.584 -0.087 0.000 1.089 70 A CA 0.218 52.209 52.037 -0.077 0.000 0.790 70 A CB 0.200 19.157 19.000 -0.071 0.000 1.042 70 A HN 0.550 nan 8.150 nan 0.000 0.497 71 R N 1.023 121.479 120.500 -0.074 0.000 2.570 71 R HA 0.186 4.504 4.340 -0.037 0.000 0.277 71 R C -2.085 174.165 176.300 -0.082 0.000 1.039 71 R CA -0.809 55.242 56.100 -0.081 0.000 1.065 71 R CB 0.070 30.324 30.300 -0.077 0.000 0.964 71 R HN 0.602 nan 8.270 nan 0.000 0.428 72 P HA 0.091 nan 4.420 nan 0.000 0.277 72 P C -1.131 176.126 177.300 -0.073 0.000 1.271 72 P CA -0.375 62.686 63.100 -0.064 0.000 0.795 72 P CB 0.955 32.622 31.700 -0.055 0.000 1.101 73 Q N -0.915 118.872 119.800 -0.023 0.000 2.416 73 Q HA 0.366 4.684 4.340 -0.037 0.000 0.281 73 Q C -0.931 175.118 176.000 0.083 0.000 1.067 73 Q CA -0.687 55.116 55.803 0.001 0.000 0.809 73 Q CB 2.631 31.384 28.738 0.025 0.000 1.418 73 Q HN 0.439 nan 8.270 nan 0.000 0.411 74 E N 1.553 121.813 120.200 0.100 0.000 2.151 74 E HA 0.504 4.832 4.350 -0.037 0.000 0.275 74 E C -1.507 175.226 176.600 0.221 0.000 0.936 74 E CA -0.572 55.989 56.400 0.268 0.000 0.777 74 E CB 1.325 31.180 29.700 0.258 0.000 1.108 74 E HN 0.311 nan 8.360 nan 0.000 0.401 75 V N 3.632 123.700 119.914 0.256 0.000 2.638 75 V HA 0.305 4.403 4.120 -0.037 0.000 0.306 75 V C -0.374 175.815 176.094 0.158 0.000 1.052 75 V CA -0.826 61.573 62.300 0.165 0.000 0.885 75 V CB 2.127 34.025 31.823 0.124 0.000 0.999 75 V HN 0.722 nan 8.190 nan 0.000 0.424 76 T N 4.291 118.918 114.554 0.122 0.000 2.767 76 T HA 0.662 4.990 4.350 -0.037 0.000 0.284 76 T C -0.347 174.408 174.700 0.092 0.000 0.973 76 T CA -0.325 61.841 62.100 0.110 0.000 0.996 76 T CB 1.467 70.387 68.868 0.087 0.000 0.927 76 T HN 0.387 nan 8.240 nan 0.000 0.456 77 V N 2.458 122.439 119.914 0.111 0.000 2.680 77 V HA 0.640 4.738 4.120 -0.037 0.000 0.309 77 V C 0.017 176.181 176.094 0.117 0.000 1.052 77 V CA -0.909 61.446 62.300 0.090 0.000 0.908 77 V CB 2.196 34.056 31.823 0.062 0.000 1.001 77 V HN 0.847 nan 8.190 nan 0.000 0.431 78 S N 2.518 118.262 115.700 0.075 0.000 2.461 78 S HA 0.333 4.781 4.470 -0.037 0.000 0.322 78 S C 0.654 175.289 174.600 0.059 0.000 1.063 78 S CA -0.527 57.719 58.200 0.076 0.000 1.120 78 S CB 1.234 64.458 63.200 0.040 0.000 0.968 78 S HN 0.464 nan 8.310 nan 0.000 0.467 79 V N 5.095 125.065 119.914 0.094 0.000 2.667 79 V HA -0.081 4.017 4.120 -0.037 0.000 0.252 79 V C 2.481 178.589 176.094 0.024 0.000 1.065 79 V CA 2.132 64.449 62.300 0.029 0.000 1.083 79 V CB -0.932 30.908 31.823 0.028 0.000 0.692 79 V HN 0.849 nan 8.190 nan 0.000 0.468 80 T N 0.661 115.238 114.554 0.039 0.000 2.701 80 T HA -0.174 4.154 4.350 -0.037 0.000 0.263 80 T C 1.624 176.329 174.700 0.007 0.000 1.040 80 T CA 2.181 64.292 62.100 0.018 0.000 1.147 80 T CB -0.364 68.511 68.868 0.012 0.000 0.865 80 T HN 0.636 nan 8.240 nan 0.000 0.426 81 N N -0.052 118.654 118.700 0.009 0.000 2.416 81 N HA 0.228 4.946 4.740 -0.037 0.000 0.177 81 N C 1.218 176.729 175.510 0.000 0.000 1.036 81 N CA 0.385 53.437 53.050 0.003 0.000 0.901 81 N CB 0.265 38.755 38.487 0.005 0.000 0.976 81 N HN 0.449 nan 8.380 nan 0.000 0.444 82 G N 1.277 110.077 108.800 -0.000 0.000 2.160 82 G HA2 -0.269 3.669 3.960 -0.037 0.000 0.244 82 G HA3 -0.269 3.669 3.960 -0.037 0.000 0.244 82 G C 0.125 175.022 174.900 -0.005 0.000 1.022 82 G CA 0.696 45.791 45.100 -0.008 0.000 0.741 82 G HN 0.483 nan 8.290 nan 0.000 0.508 83 T N -3.475 111.081 114.554 0.003 0.000 2.907 83 T HA 0.718 5.046 4.350 -0.037 0.000 0.290 83 T C -0.303 174.405 174.700 0.013 0.000 1.066 83 T CA -0.529 61.575 62.100 0.006 0.000 1.012 83 T CB 2.729 71.601 68.868 0.007 0.000 1.184 83 T HN 0.778 nan 8.240 nan 0.000 0.522 84 V N 2.665 122.588 119.914 0.015 0.000 2.385 84 V HA 0.291 4.389 4.120 -0.037 0.000 0.269 84 V C 1.283 177.392 176.094 0.026 0.000 1.043 84 V CA -0.447 61.867 62.300 0.024 0.000 0.906 84 V CB 0.356 32.193 31.823 0.023 0.000 0.995 84 V HN 0.872 nan 8.190 nan 0.000 0.467 85 I N 3.320 123.910 120.570 0.034 0.000 2.286 85 I HA -0.023 4.125 4.170 -0.037 0.000 0.245 85 I C 0.984 177.120 176.117 0.031 0.000 1.104 85 I CA 1.051 62.369 61.300 0.030 0.000 1.397 85 I CB 0.158 38.177 38.000 0.032 0.000 1.072 85 I HN 0.769 nan 8.210 nan 0.000 0.417 86 S N -0.245 115.480 115.700 0.042 0.000 2.570 86 S HA 0.818 5.266 4.470 -0.037 0.000 0.270 86 S C -0.916 173.715 174.600 0.053 0.000 1.149 86 S CA -0.626 57.599 58.200 0.042 0.000 0.837 86 S CB 2.409 65.635 63.200 0.043 0.000 1.124 86 S HN 0.181 nan 8.310 nan 0.000 0.465 87 A N 0.987 123.833 122.820 0.044 0.000 2.466 87 A HA 0.716 5.014 4.320 -0.037 0.000 0.284 87 A C -0.660 176.944 177.584 0.032 0.000 1.049 87 A CA -0.421 51.644 52.037 0.047 0.000 0.760 87 A CB 0.953 19.974 19.000 0.037 0.000 1.274 87 A HN 2.112 nan 8.150 nan 0.000 0.412 88 V N -0.220 119.715 119.914 0.034 0.000 2.604 88 V HA 0.673 4.771 4.120 -0.037 0.000 0.305 88 V C -0.281 175.803 176.094 -0.018 0.000 1.043 88 V CA -0.769 61.535 62.300 0.008 0.000 0.888 88 V CB 1.722 33.551 31.823 0.010 0.000 0.995 88 V HN 0.796 nan 8.190 nan 0.000 0.429 89 E N 3.434 123.612 120.200 -0.037 0.000 2.257 89 E HA 0.344 4.672 4.350 -0.037 0.000 0.278 89 E C -1.144 175.394 176.600 -0.104 0.000 1.049 89 E CA -0.588 55.775 56.400 -0.062 0.000 0.876 89 E CB 1.541 31.209 29.700 -0.054 0.000 1.035 89 E HN 0.481 nan 8.360 nan 0.000 0.419 90 L N 3.127 124.256 121.223 -0.156 0.000 2.326 90 L HA 0.136 4.454 4.340 -0.037 0.000 0.278 90 L C 0.179 176.913 176.870 -0.227 0.000 1.092 90 L CA 0.021 54.709 54.840 -0.253 0.000 0.810 90 L CB 0.831 42.638 42.059 -0.420 0.000 1.153 90 L HN 0.395 nan 8.230 nan 0.000 0.439 91 D N 0.453 120.713 120.400 -0.233 0.000 2.493 91 D HA 0.117 4.735 4.640 -0.037 0.000 0.235 91 D C 1.264 177.422 176.300 -0.236 0.000 1.117 91 D CA -0.036 53.853 54.000 -0.185 0.000 0.930 91 D CB 0.781 41.500 40.800 -0.136 0.000 1.010 91 D HN 0.682 nan 8.370 nan 0.000 0.514 92 T N 0.282 114.689 114.554 -0.245 0.000 2.849 92 T HA -0.185 4.143 4.350 -0.037 0.000 0.270 92 T C 1.799 176.389 174.700 -0.183 0.000 1.066 92 T CA 1.017 62.960 62.100 -0.262 0.000 1.130 92 T CB -0.115 68.628 68.868 -0.208 0.000 0.864 92 T HN 0.245 nan 8.240 nan 0.000 0.481 93 A N 0.887 123.629 122.820 -0.130 0.000 2.119 93 A HA 0.538 4.836 4.320 -0.037 0.000 0.217 93 A C 2.559 180.099 177.584 -0.073 0.000 1.153 93 A CA 1.346 53.333 52.037 -0.083 0.000 0.692 93 A CB -0.871 18.092 19.000 -0.062 0.000 0.799 93 A HN 0.753 nan 8.150 nan 0.000 0.458 94 A N -0.794 121.959 122.820 -0.111 0.000 1.909 94 A HA 0.141 4.439 4.320 -0.037 0.000 0.210 94 A C 2.153 179.645 177.584 -0.153 0.000 1.273 94 A CA 1.653 53.635 52.037 -0.091 0.000 0.654 94 A CB -0.761 18.183 19.000 -0.093 0.000 0.945 94 A HN 0.622 nan 8.150 nan 0.000 0.471 95 T N -2.974 111.395 114.554 -0.309 0.000 3.107 95 T HA 0.471 4.799 4.350 -0.037 0.000 0.249 95 T C 0.857 175.085 174.700 -0.787 0.000 1.096 95 T CA 0.829 62.597 62.100 -0.554 0.000 1.012 95 T CB -0.201 68.443 68.868 -0.374 0.000 0.977 95 T HN 1.928 nan 8.240 nan 0.000 0.527 96 G N 1.039 109.549 108.800 -0.484 0.000 2.587 96 G HA2 0.039 3.977 3.960 -0.037 0.000 0.686 96 G HA3 0.039 3.977 3.960 -0.037 0.000 0.686 96 G C -1.088 173.665 174.900 -0.244 0.000 1.236 96 G CA -1.104 43.840 45.100 -0.260 0.000 0.820 96 G HN 0.246 nan 8.290 nan 0.000 0.645 97 E N 0.097 120.221 120.200 -0.126 0.000 2.374 97 E HA 0.474 4.802 4.350 -0.037 0.000 0.260 97 E C 1.252 177.813 176.600 -0.064 0.000 1.101 97 E CA -0.452 55.874 56.400 -0.123 0.000 0.907 97 E CB 0.846 30.492 29.700 -0.089 0.000 1.014 97 E HN 0.519 nan 8.360 nan 0.000 0.427 98 L N 2.411 123.593 121.223 -0.067 0.000 2.476 98 L HA 0.201 4.519 4.340 -0.037 0.000 0.255 98 L C -1.759 175.117 176.870 0.010 0.000 1.218 98 L CA -1.731 53.131 54.840 0.037 0.000 0.819 98 L CB -0.241 41.838 42.059 0.033 0.000 1.119 98 L HN 0.220 nan 8.230 nan 0.000 0.485 99 P HA 0.016 nan 4.420 nan 0.000 0.269 99 P C -0.512 176.741 177.300 -0.077 0.000 1.215 99 P CA -0.254 62.849 63.100 0.005 0.000 0.780 99 P CB 0.523 32.268 31.700 0.074 0.000 0.898 100 V N 2.884 122.716 119.914 -0.136 0.000 2.763 100 V HA -0.030 4.068 4.120 -0.037 0.000 0.306 100 V C 1.029 176.982 176.094 -0.236 0.000 1.059 100 V CA 0.263 62.440 62.300 -0.205 0.000 1.138 100 V CB -0.387 31.298 31.823 -0.229 0.000 0.940 100 V HN 0.330 nan 8.190 nan 0.000 0.489 101 L N 3.187 124.218 121.223 -0.319 0.000 2.325 101 L HA 0.350 4.668 4.340 -0.037 0.000 0.279 101 L C 1.413 177.970 176.870 -0.523 0.000 1.054 101 L CA -0.255 54.396 54.840 -0.315 0.000 0.804 101 L CB 1.295 43.206 42.059 -0.246 0.000 1.200 101 L HN 0.702 nan 8.230 nan 0.000 0.436 102 E N 1.178 121.148 120.200 -0.384 0.000 2.085 102 E HA -0.253 4.075 4.350 -0.037 0.000 0.194 102 E C 1.551 178.025 176.600 -0.210 0.000 0.994 102 E CA 1.778 57.970 56.400 -0.346 0.000 0.801 102 E CB 0.217 29.913 29.700 -0.007 0.000 0.743 102 E HN 0.745 nan 8.360 nan 0.000 0.453 103 E N 0.187 120.311 120.200 -0.126 0.000 2.409 103 E HA -0.194 4.134 4.350 -0.037 0.000 0.198 103 E C 1.340 177.929 176.600 -0.018 0.000 1.024 103 E CA 0.877 57.261 56.400 -0.027 0.000 0.861 103 E CB -0.037 29.653 29.700 -0.016 0.000 0.788 103 E HN 0.348 nan 8.360 nan 0.000 0.521 104 E N -0.100 120.036 120.200 -0.106 0.000 2.250 104 E HA -0.034 4.294 4.350 -0.037 0.000 0.192 104 E C 1.373 178.047 176.600 0.124 0.000 0.986 104 E CA 0.156 56.536 56.400 -0.034 0.000 0.849 104 E CB -0.050 29.588 29.700 -0.104 0.000 0.797 104 E HN 0.238 nan 8.360 nan 0.000 0.482 105 F N 2.024 122.021 119.950 0.079 0.000 2.126 105 F HA -0.158 4.348 4.527 -0.035 0.000 0.299 105 F C 2.136 177.983 175.800 0.078 0.000 1.096 105 F CA 1.230 59.289 58.000 0.099 0.000 1.255 105 F CB -0.715 38.370 39.000 0.142 0.000 0.997 105 F HN -0.028 nan 8.300 nan 0.000 0.479 106 E N -0.048 120.315 120.200 0.271 0.000 2.106 106 E HA -0.119 4.209 4.350 -0.037 0.000 0.192 106 E C 2.458 179.123 176.600 0.109 0.000 0.984 106 E CA 0.846 57.345 56.400 0.166 0.000 0.806 106 E CB -0.718 29.063 29.700 0.136 0.000 0.750 106 E HN 0.095 nan 8.360 nan 0.000 0.458 107 V N 1.060 121.032 119.914 0.096 0.000 2.324 107 V HA -0.291 3.807 4.120 -0.037 0.000 0.250 107 V C 2.458 178.565 176.094 0.021 0.000 1.060 107 V CA 1.910 64.242 62.300 0.053 0.000 1.042 107 V CB -0.825 31.025 31.823 0.044 0.000 0.650 107 V HN 0.357 nan 8.190 nan 0.000 0.450 108 V N -1.377 118.556 119.914 0.032 0.000 2.407 108 V HA -0.283 3.815 4.120 -0.037 0.000 0.248 108 V C 2.200 178.238 176.094 -0.094 0.000 1.055 108 V CA 2.540 64.820 62.300 -0.034 0.000 1.049 108 V CB -0.748 31.072 31.823 -0.006 0.000 0.662 108 V HN 0.653 nan 8.190 nan 0.000 0.455 109 E N -0.139 120.045 120.200 -0.027 0.000 2.107 109 E HA -0.243 4.085 4.350 -0.037 0.000 0.191 109 E C 2.395 178.978 176.600 -0.028 0.000 0.982 109 E CA 1.178 57.562 56.400 -0.027 0.000 0.809 109 E CB -0.141 29.585 29.700 0.044 0.000 0.756 109 E HN 0.813 nan 8.360 nan 0.000 0.459 110 Q N 0.307 120.104 119.800 -0.004 0.000 2.119 110 Q HA -0.144 4.174 4.340 -0.037 0.000 0.201 110 Q C 2.238 178.224 176.000 -0.023 0.000 0.972 110 Q CA 0.908 56.714 55.803 0.005 0.000 0.847 110 Q CB 0.082 28.834 28.738 0.023 0.000 0.903 110 Q HN 0.341 nan 8.270 nan 0.000 0.433 111 L N 0.276 121.465 121.223 -0.057 0.000 2.027 111 L HA -0.174 4.144 4.340 -0.037 0.000 0.206 111 L C 2.436 179.230 176.870 -0.127 0.000 1.074 111 L CA 0.821 55.615 54.840 -0.076 0.000 0.745 111 L CB -0.414 41.595 42.059 -0.084 0.000 0.898 111 L HN 0.298 nan 8.230 nan 0.000 0.433 112 L N -0.135 120.931 121.223 -0.262 0.000 2.191 112 L HA -0.170 4.148 4.340 -0.037 0.000 0.212 112 L C 2.789 179.555 176.870 -0.173 0.000 1.103 112 L CA 0.845 55.386 54.840 -0.498 0.000 0.769 112 L CB -0.699 40.633 42.059 -1.212 0.000 0.908 112 L HN 0.245 nan 8.230 nan 0.000 0.438 113 A N -0.174 122.631 122.820 -0.024 0.000 2.070 113 A HA -0.167 4.131 4.320 -0.037 0.000 0.220 113 A C 2.036 179.689 177.584 0.115 0.000 1.159 113 A CA 2.042 54.151 52.037 0.120 0.000 0.656 113 A CB -0.628 18.422 19.000 0.083 0.000 0.800 113 A HN 0.511 nan 8.150 nan 0.000 0.453 114 T N -3.384 111.209 114.554 0.064 0.000 3.145 114 T HA 0.289 4.617 4.350 -0.037 0.000 0.281 114 T C -0.203 174.531 174.700 0.057 0.000 1.003 114 T CA 0.147 62.282 62.100 0.058 0.000 0.901 114 T CB -0.309 68.580 68.868 0.034 0.000 1.112 114 T HN 0.301 nan 8.240 nan 0.000 0.535 115 D N 1.022 121.466 120.400 0.074 0.000 2.264 115 D HA 0.272 4.889 4.640 -0.037 0.000 0.250 115 D C 1.265 177.639 176.300 0.123 0.000 1.113 115 D CA -0.258 53.787 54.000 0.074 0.000 0.871 115 D CB 1.277 42.105 40.800 0.045 0.000 1.167 115 D HN -0.049 nan 8.370 nan 0.000 0.447 116 E N 2.534 122.781 120.200 0.078 0.000 2.077 116 E HA -0.178 4.150 4.350 -0.037 0.000 0.193 116 E C 1.819 178.464 176.600 0.075 0.000 0.989 116 E CA 1.204 57.645 56.400 0.067 0.000 0.800 116 E CB 0.115 29.837 29.700 0.038 0.000 0.746 116 E HN 0.586 nan 8.360 nan 0.000 0.452 117 R N -0.279 120.272 120.500 0.084 0.000 2.236 117 R HA -0.073 4.245 4.340 -0.037 0.000 0.208 117 R C 2.270 178.647 176.300 0.128 0.000 1.036 117 R CA 0.850 56.994 56.100 0.074 0.000 1.001 117 R CB -0.805 29.524 30.300 0.049 0.000 0.896 117 R HN 0.351 nan 8.270 nan 0.000 0.464 118 W N 1.927 123.207 121.300 -0.032 0.000 2.481 118 W HA 0.018 4.675 4.660 -0.006 0.000 0.293 118 W C 1.418 177.924 176.519 -0.020 0.000 1.201 118 W CA 0.433 57.761 57.345 -0.029 0.000 1.328 118 W CB -0.043 29.402 29.460 -0.024 0.000 1.112 118 W HN 0.020 nan 8.180 nan 0.000 0.546 119 L N 1.086 122.376 121.223 0.111 0.000 2.131 119 L HA -0.231 4.086 4.340 -0.037 0.000 0.210 119 L C 2.626 179.455 176.870 -0.068 0.000 1.092 119 L CA 1.568 56.407 54.840 -0.001 0.000 0.759 119 L CB -0.775 41.321 42.059 0.062 0.000 0.903 119 L HN -0.082 nan 8.230 nan 0.000 0.435 120 K N 0.322 120.698 120.400 -0.041 0.000 2.097 120 K HA -0.138 4.160 4.320 -0.037 0.000 0.205 120 K C 2.129 178.668 176.600 -0.101 0.000 1.050 120 K CA 1.114 57.369 56.287 -0.053 0.000 0.938 120 K CB -0.001 32.483 32.500 -0.025 0.000 0.718 120 K HN 0.253 nan 8.250 nan 0.000 0.442 121 A N 1.258 123.987 122.820 -0.151 0.000 1.930 121 A HA -0.083 4.215 4.320 -0.037 0.000 0.217 121 A C 2.031 179.453 177.584 -0.270 0.000 1.175 121 A CA 1.079 52.988 52.037 -0.212 0.000 0.627 121 A CB -0.461 18.369 19.000 -0.283 0.000 0.815 121 A HN 0.294 nan 8.150 nan 0.000 0.443 122 L N -1.090 119.926 121.223 -0.344 0.000 2.156 122 L HA -0.091 4.227 4.340 -0.037 0.000 0.208 122 L C 2.980 179.749 176.870 -0.170 0.000 1.095 122 L CA 0.897 55.557 54.840 -0.301 0.000 0.770 122 L CB -0.580 41.276 42.059 -0.339 0.000 0.914 122 L HN 0.431 nan 8.230 nan 0.000 0.439 123 A N 0.310 123.052 122.820 -0.130 0.000 1.968 123 A HA -0.021 4.277 4.320 -0.037 0.000 0.217 123 A C 2.431 179.969 177.584 -0.076 0.000 1.169 123 A CA 1.320 53.307 52.037 -0.083 0.000 0.638 123 A CB -0.437 18.527 19.000 -0.061 0.000 0.812 123 A HN 0.355 nan 8.150 nan 0.000 0.446 124 A N -0.704 122.064 122.820 -0.087 0.000 2.209 124 A HA 0.013 4.311 4.320 -0.037 0.000 0.212 124 A C 1.945 179.485 177.584 -0.073 0.000 1.158 124 A CA 1.065 53.058 52.037 -0.073 0.000 0.742 124 A CB -0.251 18.705 19.000 -0.074 0.000 0.790 124 A HN 0.520 nan 8.150 nan 0.000 0.472 125 R N -1.027 119.421 120.500 -0.087 0.000 2.476 125 R HA 0.139 4.457 4.340 -0.037 0.000 0.276 125 R C -0.259 176.000 176.300 -0.068 0.000 0.941 125 R CA 0.003 56.057 56.100 -0.078 0.000 1.088 125 R CB 0.327 30.568 30.300 -0.098 0.000 1.216 125 R HN 0.403 nan 8.270 nan 0.000 0.533 126 N N 1.083 119.743 118.700 -0.066 0.000 2.735 126 N HA -0.185 4.533 4.740 -0.037 0.000 0.248 126 N C -0.948 174.528 175.510 -0.056 0.000 1.083 126 N CA 0.943 53.961 53.050 -0.053 0.000 0.703 126 N CB -1.304 37.159 38.487 -0.040 0.000 1.005 126 N HN 0.269 nan 8.380 nan 0.000 0.550 127 L N 0.365 121.543 121.223 -0.075 0.000 2.295 127 L HA 0.337 4.655 4.340 -0.037 0.000 0.285 127 L C 0.608 177.441 176.870 -0.062 0.000 1.035 127 L CA -0.802 53.993 54.840 -0.075 0.000 0.806 127 L CB 1.339 43.335 42.059 -0.104 0.000 1.214 127 L HN -0.097 nan 8.230 nan 0.000 0.426 128 D N 1.910 122.287 120.400 -0.039 0.000 2.325 128 D HA 0.122 4.740 4.640 -0.037 0.000 0.251 128 D C 0.937 177.233 176.300 -0.005 0.000 1.196 128 D CA -0.338 53.651 54.000 -0.019 0.000 0.866 128 D CB 1.756 42.552 40.800 -0.007 0.000 1.101 128 D HN 0.246 nan 8.370 nan 0.000 0.476 129 V N 3.465 123.383 119.914 0.007 0.000 2.439 129 V HA -0.310 3.788 4.120 -0.037 0.000 0.253 129 V C 2.389 178.524 176.094 0.068 0.000 1.074 129 V CA 2.309 64.639 62.300 0.051 0.000 1.076 129 V CB -0.983 30.890 31.823 0.083 0.000 0.664 129 V HN 0.754 nan 8.190 nan 0.000 0.461 130 S N -0.236 115.493 115.700 0.048 0.000 2.474 130 S HA -0.150 4.298 4.470 -0.037 0.000 0.235 130 S C 1.609 176.234 174.600 0.041 0.000 0.997 130 S CA 1.114 59.343 58.200 0.047 0.000 0.949 130 S CB -0.343 62.880 63.200 0.038 0.000 0.766 130 S HN 0.708 nan 8.310 nan 0.000 0.517 131 K N 0.701 121.119 120.400 0.031 0.000 2.372 131 K HA 0.302 4.600 4.320 -0.037 0.000 0.200 131 K C -0.763 175.850 176.600 0.022 0.000 1.022 131 K CA -0.072 56.226 56.287 0.018 0.000 1.125 131 K CB 0.943 33.444 32.500 0.003 0.000 0.855 131 K HN 0.204 nan 8.250 nan 0.000 0.524 132 V N 3.469 123.413 119.914 0.050 0.000 2.334 132 V HA 0.204 4.302 4.120 -0.037 0.000 0.267 132 V C 0.093 176.260 176.094 0.121 0.000 1.040 132 V CA -0.760 61.588 62.300 0.081 0.000 0.866 132 V CB 0.694 32.577 31.823 0.100 0.000 1.019 132 V HN 0.159 nan 8.190 nan 0.000 0.468 133 R N 3.416 123.973 120.500 0.096 0.000 2.410 133 R HA 0.603 4.921 4.340 -0.037 0.000 0.288 133 R C -0.794 175.605 176.300 0.166 0.000 1.051 133 R CA -0.510 55.639 56.100 0.082 0.000 1.021 133 R CB 1.855 32.142 30.300 -0.022 0.000 1.032 133 R HN 0.432 nan 8.270 nan 0.000 0.481 134 V N 2.015 122.021 119.914 0.153 0.000 2.407 134 V HA 0.353 4.451 4.120 -0.037 0.000 0.291 134 V C 0.114 176.312 176.094 0.172 0.000 1.018 134 V CA -1.141 61.281 62.300 0.202 0.000 0.842 134 V CB 1.614 33.515 31.823 0.129 0.000 0.996 134 V HN 0.848 nan 8.190 nan 0.000 0.426 135 A N 7.979 130.968 122.820 0.281 0.000 2.395 135 A HA 0.540 4.838 4.320 -0.037 0.000 0.286 135 A C -2.060 175.660 177.584 0.227 0.000 1.193 135 A CA -1.215 50.983 52.037 0.268 0.000 0.852 135 A CB -0.067 19.234 19.000 0.501 0.000 1.118 135 A HN 0.601 nan 8.150 nan 0.000 0.524 136 P HA 0.246 nan 4.420 nan 0.000 0.273 136 P C -0.753 176.628 177.300 0.136 0.000 1.428 136 P CA 0.336 63.498 63.100 0.104 0.000 0.995 136 P CB 0.280 32.037 31.700 0.095 0.000 1.286 137 L N 2.406 123.738 121.223 0.181 0.000 2.334 137 L HA 0.383 4.701 4.340 -0.037 0.000 0.275 137 L C 1.172 178.140 176.870 0.164 0.000 1.036 137 L CA -0.944 54.005 54.840 0.181 0.000 0.807 137 L CB 1.494 43.700 42.059 0.245 0.000 1.231 137 L HN 0.291 nan 8.230 nan 0.000 0.438 138 S N 1.149 116.961 115.700 0.187 0.000 2.549 138 S HA 0.445 4.893 4.470 -0.037 0.000 0.283 138 S C -0.021 174.675 174.600 0.160 0.000 1.320 138 S CA -0.797 57.477 58.200 0.125 0.000 1.058 138 S CB 1.158 64.452 63.200 0.156 0.000 0.882 138 S HN 0.681 nan 8.310 nan 0.000 0.498 139 A N 3.517 126.370 122.820 0.054 0.000 2.260 139 A HA 0.696 4.994 4.320 -0.037 0.000 0.308 139 A C 0.905 178.567 177.584 0.130 0.000 1.254 139 A CA -0.327 51.730 52.037 0.033 0.000 0.874 139 A CB 0.051 18.976 19.000 -0.125 0.000 1.153 139 A HN 1.170 nan 8.150 nan 0.000 0.527 140 G N 0.329 109.315 108.800 0.310 0.000 2.481 140 G HA2 0.429 4.367 3.960 -0.037 0.000 0.251 140 G HA3 0.429 4.367 3.960 -0.037 0.000 0.251 140 G C -0.449 174.345 174.900 -0.176 0.000 1.492 140 G CA -0.137 45.011 45.100 0.080 0.000 1.060 140 G HN 0.885 nan 8.290 nan 0.000 0.553 141 V N 0.915 120.479 119.914 -0.584 0.000 2.326 141 V HA 0.518 4.615 4.120 -0.037 0.000 0.281 141 V C -0.813 174.802 176.094 -0.799 0.000 1.015 141 V CA -0.294 61.727 62.300 -0.464 0.000 0.823 141 V CB 0.335 31.967 31.823 -0.318 0.000 1.009 141 V HN 0.467 nan 8.190 nan 0.000 0.436 142 F N 1.909 121.814 119.950 -0.074 0.000 3.124 142 F HA 0.438 4.944 4.527 -0.035 0.000 0.280 142 F C 1.557 177.203 175.800 -0.257 0.000 1.519 142 F CA -0.712 57.190 58.000 -0.164 0.000 0.994 142 F CB 0.312 39.187 39.000 -0.207 0.000 1.823 142 F HN 0.412 nan 8.300 nan 0.000 0.390 143 E N 0.613 120.670 120.200 -0.239 0.000 2.403 143 E HA -0.022 4.306 4.350 -0.037 0.000 0.187 143 E C -1.191 175.234 176.600 -0.292 0.000 1.073 143 E CA 0.277 56.508 56.400 -0.281 0.000 0.888 143 E CB -0.842 28.721 29.700 -0.229 0.000 1.035 143 E HN 0.450 nan 8.360 nan 0.000 0.471 144 Y N 0.830 121.186 120.300 0.093 0.000 2.594 144 Y HA 0.494 5.022 4.550 -0.036 0.000 0.342 144 Y C 1.395 177.316 175.900 0.035 0.000 1.010 144 Y CA -0.763 57.376 58.100 0.065 0.000 1.270 144 Y CB 1.165 39.661 38.460 0.060 0.000 1.125 144 Y HN 0.054 nan 8.280 nan 0.000 0.513 145 A N 2.301 125.210 122.820 0.149 0.000 2.019 145 A HA -0.197 4.101 4.320 -0.037 0.000 0.219 145 A C 1.708 179.338 177.584 0.076 0.000 1.164 145 A CA 1.537 53.624 52.037 0.083 0.000 0.644 145 A CB -0.356 18.679 19.000 0.059 0.000 0.805 145 A HN 0.807 nan 8.150 nan 0.000 0.449 146 E N 0.373 120.632 120.200 0.097 0.000 2.511 146 E HA -0.019 4.309 4.350 -0.037 0.000 0.196 146 E C 1.174 177.804 176.600 0.050 0.000 1.066 146 E CA 0.914 57.351 56.400 0.062 0.000 0.871 146 E CB -0.149 29.584 29.700 0.056 0.000 0.863 146 E HN 0.740 nan 8.360 nan 0.000 0.520 147 E N 0.876 121.117 120.200 0.068 0.000 2.340 147 E HA 0.080 4.408 4.350 -0.037 0.000 0.194 147 E C 0.107 176.715 176.600 0.014 0.000 0.996 147 E CA -0.234 56.190 56.400 0.039 0.000 0.869 147 E CB 0.212 29.948 29.700 0.061 0.000 0.835 147 E HN 0.151 nan 8.360 nan 0.000 0.493 148 R N 0.453 120.962 120.500 0.016 0.000 2.480 148 R HA 0.124 4.442 4.340 -0.037 0.000 0.303 148 R C 0.958 177.248 176.300 -0.016 0.000 0.985 148 R CA 0.848 56.946 56.100 -0.004 0.000 1.051 148 R CB 0.165 30.463 30.300 -0.002 0.000 0.935 148 R HN 0.283 nan 8.270 nan 0.000 0.410 149 G N 2.436 111.217 108.800 -0.031 0.000 2.225 149 G HA2 -0.332 3.606 3.960 -0.037 0.000 0.254 149 G HA3 -0.332 3.606 3.960 -0.037 0.000 0.254 149 G C 0.133 175.012 174.900 -0.035 0.000 0.988 149 G CA -0.077 44.998 45.100 -0.041 0.000 0.625 149 G HN 0.535 nan 8.290 nan 0.000 0.527 150 R N -0.171 120.315 120.500 -0.025 0.000 2.540 150 R HA 0.600 4.918 4.340 -0.037 0.000 0.287 150 R C 0.407 176.692 176.300 -0.025 0.000 0.980 150 R CA -0.863 55.226 56.100 -0.019 0.000 0.966 150 R CB 1.095 31.388 30.300 -0.012 0.000 1.106 150 R HN 0.187 nan 8.270 nan 0.000 0.480 151 R N 2.829 123.319 120.500 -0.017 0.000 2.419 151 R HA 0.186 4.504 4.340 -0.037 0.000 0.305 151 R C -0.885 175.395 176.300 -0.033 0.000 1.242 151 R CA -0.203 55.879 56.100 -0.030 0.000 1.105 151 R CB -0.084 30.207 30.300 -0.015 0.000 1.116 151 R HN 0.379 nan 8.270 nan 0.000 0.523 152 I N 3.983 124.526 120.570 -0.045 0.000 2.525 152 I HA 0.390 4.538 4.170 -0.037 0.000 0.301 152 I C -0.383 175.695 176.117 -0.066 0.000 0.992 152 I CA -0.686 60.580 61.300 -0.056 0.000 1.162 152 I CB 1.816 39.772 38.000 -0.073 0.000 1.332 152 I HN 0.511 nan 8.210 nan 0.000 0.458 153 L N 5.300 126.484 121.223 -0.064 0.000 2.393 153 L HA 0.603 4.921 4.340 -0.037 0.000 0.260 153 L C -0.609 176.201 176.870 -0.100 0.000 1.002 153 L CA -0.937 53.871 54.840 -0.053 0.000 0.818 153 L CB 2.201 44.273 42.059 0.021 0.000 1.369 153 L HN 0.462 nan 8.230 nan 0.000 0.412 154 R N 0.601 121.013 120.500 -0.146 0.000 2.514 154 R HA 0.662 4.980 4.340 -0.037 0.000 0.301 154 R C -0.320 175.971 176.300 -0.014 0.000 0.962 154 R CA -0.702 55.268 56.100 -0.217 0.000 0.882 154 R CB 2.073 31.888 30.300 -0.808 0.000 1.143 154 R HN 0.750 nan 8.270 nan 0.000 0.452 155 G N 2.722 111.546 108.800 0.040 0.000 2.461 155 G HA2 0.616 4.554 3.960 -0.037 0.000 0.323 155 G HA3 0.616 4.554 3.960 -0.037 0.000 0.323 155 G C -0.941 174.122 174.900 0.271 0.000 1.229 155 G CA -0.599 44.580 45.100 0.131 0.000 0.941 155 G HN 0.304 nan 8.290 nan 0.000 0.477 156 L N 1.420 122.872 121.223 0.383 0.000 2.362 156 L HA 0.673 4.991 4.340 -0.037 0.000 0.275 156 L C 0.509 177.560 176.870 0.301 0.000 0.998 156 L CA -1.001 54.069 54.840 0.383 0.000 0.820 156 L CB 2.205 44.582 42.059 0.529 0.000 1.270 156 L HN 0.645 nan 8.230 nan 0.000 0.415 157 A N 3.003 125.896 122.820 0.121 0.000 2.316 157 A HA 0.808 5.106 4.320 -0.037 0.000 0.284 157 A C -1.139 176.206 177.584 -0.399 0.000 1.115 157 A CA -0.045 52.022 52.037 0.051 0.000 0.812 157 A CB 0.303 19.364 19.000 0.101 0.000 1.064 157 A HN 0.499 nan 8.150 nan 0.000 0.489 158 F N 0.993 120.931 119.950 -0.020 0.000 2.573 158 F HA 0.401 4.909 4.527 -0.031 0.000 0.316 158 F C -0.071 175.688 175.800 -0.068 0.000 1.148 158 F CA -0.625 57.320 58.000 -0.092 0.000 0.940 158 F CB 2.165 40.996 39.000 -0.281 0.000 1.214 158 F HN 0.328 nan 8.300 nan 0.000 0.448 159 V N 3.001 122.982 119.914 0.113 0.000 2.583 159 V HA 0.262 4.360 4.120 -0.037 0.000 0.287 159 V C -0.252 175.882 176.094 0.067 0.000 1.051 159 V CA -0.390 61.938 62.300 0.047 0.000 1.010 159 V CB 1.383 33.186 31.823 -0.033 0.000 0.988 159 V HN 0.760 nan 8.190 nan 0.000 0.478 160 Q N 2.269 122.063 119.800 -0.011 0.000 2.401 160 Q HA 0.241 4.559 4.340 -0.037 0.000 0.260 160 Q C -0.089 175.864 176.000 -0.078 0.000 1.034 160 Q CA -0.626 55.141 55.803 -0.060 0.000 0.737 160 Q CB 1.228 29.912 28.738 -0.091 0.000 1.227 160 Q HN 0.800 nan 8.270 nan 0.000 0.488 161 D N 2.651 122.992 120.400 -0.099 0.000 2.182 161 D HA -0.070 4.548 4.640 -0.037 0.000 0.201 161 D C 0.027 176.470 176.300 0.238 0.000 0.986 161 D CA 1.472 55.504 54.000 0.052 0.000 0.847 161 D CB 0.052 40.955 40.800 0.171 0.000 0.942 161 D HN 0.437 nan 8.370 nan 0.000 0.467 162 F N -5.519 114.426 119.950 -0.007 0.000 2.693 162 F HA 0.406 4.907 4.527 -0.045 0.000 0.309 162 F C -2.456 173.339 175.800 -0.009 0.000 1.129 162 F CA -2.400 55.594 58.000 -0.010 0.000 0.948 162 F CB 0.608 39.598 39.000 -0.015 0.000 1.315 162 F HN -0.387 nan 8.300 nan 0.000 0.447 163 P HA -0.226 nan 4.420 nan 0.000 0.222 163 P C 0.206 177.483 177.300 -0.038 0.000 1.155 163 P CA 2.486 65.609 63.100 0.039 0.000 0.890 163 P CB 0.129 31.883 31.700 0.090 0.000 0.790 164 E N -1.385 118.804 120.200 -0.018 0.000 2.423 164 E HA 0.097 4.425 4.350 -0.037 0.000 0.198 164 E C -0.193 176.174 176.600 -0.389 0.000 1.038 164 E CA -0.252 56.092 56.400 -0.092 0.000 1.011 164 E CB -0.174 29.571 29.700 0.076 0.000 1.118 164 E HN 0.304 nan 8.360 nan 0.000 0.451 165 D N 0.381 120.339 120.400 -0.737 0.000 2.210 165 D HA 0.042 4.660 4.640 -0.037 0.000 0.249 165 D C -0.497 175.575 176.300 -0.381 0.000 1.062 165 D CA -0.306 53.173 54.000 -0.868 0.000 0.891 165 D CB 1.337 41.387 40.800 -1.249 0.000 1.186 165 D HN -0.181 nan 8.370 nan 0.000 0.432 166 S N 2.518 118.062 115.700 -0.260 0.000 2.498 166 S HA 0.310 4.758 4.470 -0.037 0.000 0.314 166 S C 1.220 175.772 174.600 -0.080 0.000 1.141 166 S CA -0.144 57.991 58.200 -0.108 0.000 1.087 166 S CB -0.237 62.934 63.200 -0.050 0.000 1.178 166 S HN 0.526 nan 8.310 nan 0.000 0.533 167 A N 4.861 127.546 122.820 -0.225 0.000 2.024 167 A HA -0.086 4.211 4.320 -0.037 0.000 0.220 167 A C 1.465 178.976 177.584 -0.122 0.000 1.164 167 A CA 1.119 53.039 52.037 -0.195 0.000 0.643 167 A CB -0.704 18.058 19.000 -0.397 0.000 0.806 167 A HN 0.987 nan 8.150 nan 0.000 0.451 168 W N -0.376 120.920 121.300 -0.006 0.000 2.421 168 W HA 0.084 4.726 4.660 -0.030 0.000 0.270 168 W C 2.319 178.971 176.519 0.223 0.000 1.233 168 W CA 0.628 57.974 57.345 0.001 0.000 1.226 168 W CB -0.072 29.363 29.460 -0.042 0.000 1.121 168 W HN 0.360 nan 8.180 nan 0.000 0.579 169 A N -0.580 122.423 122.820 0.306 0.000 2.235 169 A HA -0.006 4.292 4.320 -0.037 0.000 0.208 169 A C -0.052 177.373 177.584 -0.264 0.000 1.172 169 A CA 0.621 52.735 52.037 0.128 0.000 0.786 169 A CB -0.837 18.189 19.000 0.044 0.000 0.804 169 A HN 0.471 nan 8.150 nan 0.000 0.479 170 H N -0.137 119.069 119.070 0.226 0.000 2.379 170 H HA 0.247 4.791 4.556 -0.021 0.000 0.229 170 H C -2.853 172.507 175.328 0.052 0.000 1.423 170 H CA -1.865 54.251 56.048 0.113 0.000 1.375 170 H CB 0.597 30.406 29.762 0.079 0.000 1.592 170 H HN 0.257 nan 8.280 nan 0.000 0.507 171 P HA 0.003 nan 4.420 nan 0.000 0.271 171 P C 0.009 177.135 177.300 -0.291 0.000 1.218 171 P CA -0.253 62.642 63.100 -0.341 0.000 0.780 171 P CB 2.154 33.694 31.700 -0.267 0.000 0.901 172 V N 3.529 123.190 119.914 -0.422 0.000 2.259 172 V HA 0.137 4.235 4.120 -0.037 0.000 0.267 172 V C 0.663 176.616 176.094 -0.234 0.000 1.051 172 V CA -0.268 61.886 62.300 -0.243 0.000 0.830 172 V CB 0.207 31.898 31.823 -0.219 0.000 1.080 172 V HN 0.540 nan 8.190 nan 0.000 0.467 173 D N 2.980 123.249 120.400 -0.218 0.000 2.357 173 D HA 0.370 4.988 4.640 -0.037 0.000 0.242 173 D C 1.281 177.490 176.300 -0.152 0.000 1.153 173 D CA 1.484 55.291 54.000 -0.320 0.000 0.918 173 D CB 1.767 42.144 40.800 -0.705 0.000 1.181 173 D HN 0.752 nan 8.370 nan 0.000 0.435 174 G N 0.699 109.406 108.800 -0.154 0.000 2.159 174 G HA2 -0.231 3.707 3.960 -0.037 0.000 0.256 174 G HA3 -0.231 3.707 3.960 -0.037 0.000 0.256 174 G C -0.093 174.846 174.900 0.064 0.000 0.977 174 G CA 0.549 45.701 45.100 0.087 0.000 0.652 174 G HN 0.466 nan 8.290 nan 0.000 0.531 175 L N 0.617 121.856 121.223 0.027 0.000 2.436 175 L HA 0.823 5.141 4.340 -0.037 0.000 0.268 175 L C -0.334 176.626 176.870 0.151 0.000 0.974 175 L CA -1.150 53.717 54.840 0.045 0.000 0.826 175 L CB 2.374 44.392 42.059 -0.068 0.000 1.291 175 L HN 0.523 nan 8.230 nan 0.000 0.406 176 V N 1.990 122.011 119.914 0.177 0.000 3.049 176 V HA 1.026 5.124 4.120 -0.037 0.000 0.309 176 V C -0.571 175.571 176.094 0.080 0.000 1.148 176 V CA -0.486 61.936 62.300 0.203 0.000 0.990 176 V CB 1.365 33.310 31.823 0.205 0.000 1.039 176 V HN 1.047 nan 8.190 nan 0.000 0.430 177 A N 1.884 124.722 122.820 0.030 0.000 2.408 177 A HA 0.855 5.153 4.320 -0.037 0.000 0.295 177 A C -1.683 175.871 177.584 -0.051 0.000 1.040 177 A CA -0.465 51.483 52.037 -0.149 0.000 0.707 177 A CB 1.197 20.038 19.000 -0.265 0.000 1.235 177 A HN 0.709 nan 8.150 nan 0.000 0.418 178 Y N 1.117 121.286 120.300 -0.219 0.000 2.308 178 Y HA 0.587 5.116 4.550 -0.035 0.000 0.329 178 Y C 0.214 175.999 175.900 -0.192 0.000 1.111 178 Y CA -1.498 56.456 58.100 -0.243 0.000 1.179 178 Y CB 1.344 39.627 38.460 -0.295 0.000 1.201 178 Y HN 0.378 nan 8.280 nan 0.000 0.483 179 V N 3.006 122.917 119.914 -0.004 0.000 2.789 179 V HA 0.249 4.347 4.120 -0.037 0.000 0.311 179 V C -0.656 175.419 176.094 -0.031 0.000 1.073 179 V CA -1.145 61.129 62.300 -0.044 0.000 0.921 179 V CB 2.381 34.160 31.823 -0.074 0.000 1.009 179 V HN 0.666 nan 8.190 nan 0.000 0.426 180 D N 2.825 123.209 120.400 -0.027 0.000 2.396 180 D HA 0.248 4.866 4.640 -0.037 0.000 0.225 180 D C 0.751 177.044 176.300 -0.011 0.000 1.121 180 D CA -0.174 53.815 54.000 -0.018 0.000 0.853 180 D CB 2.012 42.804 40.800 -0.013 0.000 1.043 180 D HN 0.265 nan 8.370 nan 0.000 0.500 181 V N 3.648 123.558 119.914 -0.007 0.000 2.970 181 V HA -0.168 3.930 4.120 -0.037 0.000 0.260 181 V C 2.250 178.359 176.094 0.026 0.000 1.100 181 V CA 1.467 63.770 62.300 0.005 0.000 1.122 181 V CB -0.360 31.462 31.823 -0.002 0.000 0.721 181 V HN 0.659 nan 8.190 nan 0.000 0.483 182 V N -1.236 118.698 119.914 0.034 0.000 2.492 182 V HA 0.022 4.120 4.120 -0.037 0.000 0.241 182 V C 2.200 178.308 176.094 0.024 0.000 1.041 182 V CA 1.546 63.877 62.300 0.051 0.000 1.057 182 V CB -0.511 31.356 31.823 0.073 0.000 0.711 182 V HN 0.555 nan 8.190 nan 0.000 0.468 183 S N -0.676 115.031 115.700 0.011 0.000 2.593 183 S HA 0.147 4.595 4.470 -0.037 0.000 0.217 183 S C 0.813 175.413 174.600 0.000 0.000 0.966 183 S CA 0.079 58.281 58.200 0.003 0.000 0.914 183 S CB -0.879 62.320 63.200 -0.002 0.000 0.776 183 S HN 0.695 nan 8.310 nan 0.000 0.523 184 K N 1.061 121.462 120.400 0.002 0.000 3.689 184 K HA -0.175 4.123 4.320 -0.037 0.000 0.276 184 K C -0.787 175.805 176.600 -0.013 0.000 0.932 184 K CA 0.852 57.137 56.287 -0.004 0.000 0.758 184 K CB -1.493 31.008 32.500 0.003 0.000 1.500 184 K HN 0.696 nan 8.250 nan 0.000 0.448 185 E N -0.411 119.777 120.200 -0.020 0.000 2.383 185 E HA 0.356 4.684 4.350 -0.037 0.000 0.275 185 E C -0.899 175.677 176.600 -0.041 0.000 0.918 185 E CA -1.039 55.344 56.400 -0.027 0.000 0.764 185 E CB 2.433 32.121 29.700 -0.019 0.000 1.252 185 E HN -0.000 nan 8.360 nan 0.000 0.449 186 V N 2.387 122.270 119.914 -0.052 0.000 2.348 186 V HA 0.067 4.165 4.120 -0.037 0.000 0.270 186 V C 1.267 177.325 176.094 -0.059 0.000 1.037 186 V CA 0.025 62.281 62.300 -0.073 0.000 0.872 186 V CB 0.687 32.453 31.823 -0.095 0.000 1.002 186 V HN 0.976 nan 8.190 nan 0.000 0.464 187 T N 2.488 117.010 114.554 -0.053 0.000 2.985 187 T HA 0.169 4.497 4.350 -0.037 0.000 0.266 187 T C 0.802 175.446 174.700 -0.095 0.000 1.076 187 T CA 0.510 62.581 62.100 -0.049 0.000 1.135 187 T CB 0.308 69.165 68.868 -0.019 0.000 0.890 187 T HN 0.521 nan 8.240 nan 0.000 0.480 188 R N -0.788 119.613 120.500 -0.165 0.000 2.663 188 R HA 0.636 4.954 4.340 -0.037 0.000 0.267 188 R C -2.266 173.841 176.300 -0.322 0.000 1.038 188 R CA -0.720 55.208 56.100 -0.287 0.000 0.886 188 R CB 2.742 32.734 30.300 -0.512 0.000 1.249 188 R HN 0.056 nan 8.270 nan 0.000 0.463 189 V N 3.725 123.497 119.914 -0.236 0.000 2.532 189 V HA 0.461 4.559 4.120 -0.037 0.000 0.294 189 V C -0.595 175.423 176.094 -0.126 0.000 1.036 189 V CA -0.569 61.665 62.300 -0.110 0.000 0.876 189 V CB 1.783 33.642 31.823 0.060 0.000 1.012 189 V HN 0.555 nan 8.190 nan 0.000 0.432 190 I N 3.854 124.335 120.570 -0.148 0.000 2.377 190 I HA 0.516 4.664 4.170 -0.037 0.000 0.293 190 I C -0.716 175.394 176.117 -0.012 0.000 0.987 190 I CA -0.206 61.037 61.300 -0.095 0.000 1.185 190 I CB 1.848 39.772 38.000 -0.128 0.000 1.341 190 I HN 0.504 nan 8.210 nan 0.000 0.455 191 D N 4.447 124.846 120.400 -0.002 0.000 2.440 191 D HA 0.141 4.759 4.640 -0.037 0.000 0.252 191 D C 0.842 177.160 176.300 0.031 0.000 1.180 191 D CA -0.266 53.741 54.000 0.012 0.000 0.894 191 D CB 1.597 42.390 40.800 -0.013 0.000 1.111 191 D HN 0.674 nan 8.370 nan 0.000 0.544 192 T N 0.243 114.838 114.554 0.068 0.000 3.081 192 T HA 0.415 4.743 4.350 -0.037 0.000 0.255 192 T C 0.948 175.697 174.700 0.082 0.000 1.113 192 T CA 0.466 62.617 62.100 0.086 0.000 1.082 192 T CB 0.332 69.278 68.868 0.129 0.000 0.939 192 T HN 0.538 nan 8.240 nan 0.000 0.506 193 G N 0.659 109.509 108.800 0.083 0.000 2.337 193 G HA2 0.346 4.284 3.960 -0.037 0.000 0.310 193 G HA3 0.346 4.284 3.960 -0.037 0.000 0.310 193 G C -0.847 174.080 174.900 0.044 0.000 1.534 193 G CA -0.584 44.522 45.100 0.009 0.000 0.982 193 G HN 0.970 nan 8.290 nan 0.000 0.672 194 V N -1.243 118.635 119.914 -0.060 0.000 2.686 194 V HA 0.858 4.956 4.120 -0.037 0.000 0.295 194 V C -0.316 175.703 176.094 -0.125 0.000 1.055 194 V CA -0.577 61.708 62.300 -0.026 0.000 1.050 194 V CB 0.851 32.639 31.823 -0.059 0.000 0.984 194 V HN 0.776 nan 8.190 nan 0.000 0.482 195 F N 3.022 122.937 119.950 -0.058 0.000 2.556 195 F HA 0.681 5.178 4.527 -0.049 0.000 0.314 195 F C -2.163 173.609 175.800 -0.046 0.000 1.106 195 F CA -2.175 55.795 58.000 -0.050 0.000 0.911 195 F CB 2.051 41.020 39.000 -0.052 0.000 1.190 195 F HN 0.421 nan 8.300 nan 0.000 0.448 196 P HA 0.116 nan 4.420 nan 0.000 0.265 196 P C -0.851 176.501 177.300 0.087 0.000 1.193 196 P CA -0.140 63.005 63.100 0.074 0.000 0.765 196 P CB 0.545 32.280 31.700 0.058 0.000 0.823 197 V N 6.890 126.836 119.914 0.054 0.000 2.389 197 V HA 0.145 4.243 4.120 -0.037 0.000 0.264 197 V C -1.821 174.328 176.094 0.091 0.000 1.049 197 V CA -1.505 60.828 62.300 0.053 0.000 0.932 197 V CB 0.350 32.185 31.823 0.021 0.000 1.011 197 V HN 0.592 nan 8.190 nan 0.000 0.475 198 P HA -0.042 nan 4.420 nan 0.000 0.259 198 P C 0.500 177.960 177.300 0.267 0.000 1.163 198 P CA 0.504 63.684 63.100 0.134 0.000 0.760 198 P CB 0.674 32.417 31.700 0.073 0.000 0.762 199 A N 3.469 126.409 122.820 0.200 0.000 2.044 199 A HA -0.021 4.277 4.320 -0.037 0.000 0.213 199 A C 1.001 178.765 177.584 0.301 0.000 1.169 199 A CA 0.343 52.511 52.037 0.217 0.000 0.724 199 A CB -0.454 18.612 19.000 0.111 0.000 0.840 199 A HN 0.567 nan 8.150 nan 0.000 0.463 200 E N 1.231 121.563 120.200 0.219 0.000 2.414 200 E HA 0.035 4.363 4.350 -0.037 0.000 0.263 200 E C 0.042 176.800 176.600 0.264 0.000 1.000 200 E CA -0.212 56.295 56.400 0.177 0.000 0.914 200 E CB 0.217 29.977 29.700 0.099 0.000 0.948 200 E HN 0.729 nan 8.360 nan 0.000 0.444 201 H N 1.436 120.656 119.070 0.249 0.000 2.603 201 H HA 0.284 4.816 4.556 -0.040 0.000 0.370 201 H C 0.184 175.602 175.328 0.150 0.000 1.225 201 H CA -0.321 55.850 56.048 0.205 0.000 1.410 201 H CB 1.039 30.928 29.762 0.212 0.000 1.495 201 H HN 0.566 nan 8.280 nan 0.000 0.602 202 G N 1.849 110.872 108.800 0.372 0.000 4.543 202 G HA2 0.005 3.943 3.960 -0.037 0.000 0.286 202 G HA3 0.005 3.943 3.960 -0.037 0.000 0.286 202 G C -0.750 174.134 174.900 -0.028 0.000 1.112 202 G CA -0.564 44.619 45.100 0.138 0.000 0.870 202 G HN 0.562 nan 8.290 nan 0.000 0.540 203 N N 1.619 120.349 118.700 0.049 0.000 2.482 203 N HA 0.161 4.878 4.740 -0.037 0.000 0.242 203 N C 0.800 176.146 175.510 -0.273 0.000 1.100 203 N CA -0.601 52.224 53.050 -0.375 0.000 0.946 203 N CB 0.638 38.845 38.487 -0.467 0.000 1.227 203 N HN 0.517 nan 8.380 nan 0.000 0.508 204 Y N -0.471 119.785 120.300 -0.073 0.000 2.680 204 Y HA 0.002 4.531 4.550 -0.036 0.000 0.303 204 Y C 1.568 177.444 175.900 -0.040 0.000 1.166 204 Y CA 0.282 58.341 58.100 -0.067 0.000 1.344 204 Y CB -0.712 37.676 38.460 -0.121 0.000 1.002 204 Y HN 0.307 nan 8.280 nan 0.000 0.537 205 T N -4.112 110.362 114.554 -0.133 0.000 3.001 205 T HA 0.052 4.380 4.350 -0.037 0.000 0.251 205 T C 0.137 174.811 174.700 -0.044 0.000 1.040 205 T CA -0.055 62.022 62.100 -0.040 0.000 0.985 205 T CB -0.159 68.669 68.868 -0.066 0.000 1.011 205 T HN 0.183 nan 8.240 nan 0.000 0.509 206 D N 3.926 124.279 120.400 -0.080 0.000 2.358 206 D HA 0.162 4.780 4.640 -0.037 0.000 0.258 206 D C -1.136 175.173 176.300 0.015 0.000 1.223 206 D CA -2.441 51.525 54.000 -0.057 0.000 0.886 206 D CB 1.501 42.201 40.800 -0.166 0.000 1.120 206 D HN 0.049 nan 8.370 nan 0.000 0.482 207 P HA -0.168 nan 4.420 nan 0.000 0.226 207 P C 0.847 178.175 177.300 0.047 0.000 1.146 207 P CA 0.818 63.936 63.100 0.029 0.000 0.773 207 P CB 0.369 32.078 31.700 0.016 0.000 0.772 208 E N -0.773 119.468 120.200 0.069 0.000 2.250 208 E HA -0.065 4.263 4.350 -0.037 0.000 0.192 208 E C 1.778 178.450 176.600 0.120 0.000 0.986 208 E CA 0.114 56.570 56.400 0.093 0.000 0.849 208 E CB -0.162 29.608 29.700 0.117 0.000 0.797 208 E HN 0.066 nan 8.360 nan 0.000 0.482 209 L N 0.165 121.486 121.223 0.164 0.000 2.253 209 L HA 0.036 4.354 4.340 -0.037 0.000 0.205 209 L C 2.369 179.295 176.870 0.093 0.000 1.078 209 L CA 1.868 56.803 54.840 0.158 0.000 0.805 209 L CB -0.294 41.959 42.059 0.323 0.000 0.963 209 L HN 0.196 nan 8.230 nan 0.000 0.459 210 T N -2.735 111.869 114.554 0.082 0.000 2.985 210 T HA 0.366 4.693 4.350 -0.037 0.000 0.266 210 T C 1.215 175.940 174.700 0.041 0.000 1.076 210 T CA 0.489 62.623 62.100 0.056 0.000 1.135 210 T CB -0.802 68.097 68.868 0.051 0.000 0.890 210 T HN 0.708 nan 8.240 nan 0.000 0.480 211 G N 2.450 111.275 108.800 0.042 0.000 2.698 211 G HA2 -0.099 3.839 3.960 -0.037 0.000 0.233 211 G HA3 -0.099 3.839 3.960 -0.037 0.000 0.233 211 G C -2.701 172.214 174.900 0.025 0.000 1.352 211 G CA -0.512 44.607 45.100 0.032 0.000 0.879 211 G HN 0.577 nan 8.290 nan 0.000 0.567 212 P HA 0.337 nan 4.420 nan 0.000 0.271 212 P C 0.467 177.775 177.300 0.014 0.000 1.226 212 P CA -0.113 62.997 63.100 0.015 0.000 0.765 212 P CB 0.466 32.174 31.700 0.012 0.000 0.835 213 L N 4.222 125.453 121.223 0.014 0.000 2.499 213 L HA 0.094 4.412 4.340 -0.037 0.000 0.273 213 L C 1.693 178.568 176.870 0.009 0.000 1.195 213 L CA -0.269 54.578 54.840 0.012 0.000 0.882 213 L CB -0.059 42.007 42.059 0.012 0.000 1.133 213 L HN 0.456 nan 8.230 nan 0.000 0.483 214 R N 1.027 121.531 120.500 0.007 0.000 2.640 214 R HA 0.052 4.370 4.340 -0.037 0.000 0.270 214 R C 0.513 176.815 176.300 0.004 0.000 1.024 214 R CA 0.272 56.375 56.100 0.005 0.000 1.085 214 R CB -0.057 30.244 30.300 0.003 0.000 0.963 214 R HN 0.720 nan 8.270 nan 0.000 0.426 215 T N -2.816 111.740 114.554 0.004 0.000 3.085 215 T HA -0.004 4.324 4.350 -0.037 0.000 0.264 215 T C 1.334 176.035 174.700 0.002 0.000 1.019 215 T CA 0.122 62.224 62.100 0.003 0.000 0.910 215 T CB 0.247 69.117 68.868 0.004 0.000 1.059 215 T HN 0.755 nan 8.240 nan 0.000 0.542 216 T N -0.469 114.086 114.554 0.001 0.000 3.085 216 T HA 0.091 4.419 4.350 -0.037 0.000 0.263 216 T C 0.769 175.469 174.700 -0.001 0.000 1.127 216 T CA 0.110 62.209 62.100 -0.000 0.000 1.103 216 T CB -0.409 68.458 68.868 -0.001 0.000 0.921 216 T HN 0.435 nan 8.240 nan 0.000 0.510 217 Q N 1.829 121.628 119.800 -0.001 0.000 2.307 217 Q HA 0.264 4.582 4.340 -0.037 0.000 0.259 217 Q C -0.339 175.661 176.000 0.000 0.000 0.998 217 Q CA -0.224 55.578 55.803 -0.001 0.000 0.923 217 Q CB 0.749 29.486 28.738 -0.001 0.000 1.196 217 Q HN 0.231 nan 8.270 nan 0.000 0.416 218 K N 3.810 124.210 120.400 -0.000 0.000 2.118 218 K HA 0.389 4.687 4.320 -0.037 0.000 0.267 218 K C -2.001 174.600 176.600 0.002 0.000 0.991 218 K CA -1.700 54.587 56.287 0.001 0.000 0.916 218 K CB 0.583 33.083 32.500 -0.000 0.000 1.041 218 K HN 0.516 nan 8.250 nan 0.000 0.455 219 P HA 0.209 nan 4.420 nan 0.000 0.269 219 P C -0.445 176.858 177.300 0.005 0.000 1.209 219 P CA -0.028 63.074 63.100 0.005 0.000 0.776 219 P CB 0.655 32.359 31.700 0.006 0.000 0.876 220 I N 1.163 121.736 120.570 0.006 0.000 2.382 220 I HA 0.137 4.285 4.170 -0.037 0.000 0.286 220 I C 0.321 176.444 176.117 0.010 0.000 1.002 220 I CA -0.509 60.796 61.300 0.008 0.000 1.135 220 I CB 1.713 39.717 38.000 0.008 0.000 1.288 220 I HN 0.286 nan 8.210 nan 0.000 0.448 221 S N 7.735 123.443 115.700 0.012 0.000 2.438 221 S HA 0.605 5.053 4.470 -0.037 0.000 0.316 221 S C -0.515 174.096 174.600 0.018 0.000 1.084 221 S CA -0.488 57.720 58.200 0.014 0.000 1.107 221 S CB 0.270 63.478 63.200 0.013 0.000 0.981 221 S HN 0.422 nan 8.310 nan 0.000 0.466 222 I N 5.371 125.953 120.570 0.019 0.000 2.355 222 I HA 0.385 4.533 4.170 -0.037 0.000 0.288 222 I C 0.261 176.394 176.117 0.027 0.000 0.999 222 I CA -0.360 60.957 61.300 0.028 0.000 1.163 222 I CB 1.639 39.658 38.000 0.032 0.000 1.316 222 I HN 0.642 nan 8.210 nan 0.000 0.454 223 T N 1.885 116.458 114.554 0.033 0.000 2.864 223 T HA 0.501 4.829 4.350 -0.037 0.000 0.299 223 T C -0.804 173.919 174.700 0.038 0.000 1.166 223 T CA -0.920 61.199 62.100 0.031 0.000 1.007 223 T CB 2.199 71.082 68.868 0.024 0.000 1.219 223 T HN 0.504 nan 8.240 nan 0.000 0.506 224 Q N 1.581 121.401 119.800 0.034 0.000 2.558 224 Q HA 0.280 4.597 4.340 -0.037 0.000 0.252 224 Q C -1.873 174.138 176.000 0.019 0.000 1.015 224 Q CA -2.109 53.713 55.803 0.033 0.000 0.720 224 Q CB 2.017 30.776 28.738 0.036 0.000 1.215 224 Q HN 0.569 nan 8.270 nan 0.000 0.500 225 P HA -0.189 nan 4.420 nan 0.000 0.220 225 P C 0.069 177.373 177.300 0.008 0.000 1.144 225 P CA 1.283 64.391 63.100 0.013 0.000 0.800 225 P CB 0.491 32.200 31.700 0.015 0.000 0.772 226 E N -0.486 119.718 120.200 0.006 0.000 2.569 226 E HA 0.372 4.700 4.350 -0.037 0.000 0.205 226 E C 0.678 177.269 176.600 -0.015 0.000 1.006 226 E CA -0.155 56.245 56.400 -0.001 0.000 0.985 226 E CB 0.360 30.063 29.700 0.004 0.000 1.060 226 E HN 0.189 nan 8.360 nan 0.000 0.460 227 G N 2.984 111.771 108.800 -0.021 0.000 2.829 227 G HA2 -0.207 3.731 3.960 -0.037 0.000 0.628 227 G HA3 -0.207 3.731 3.960 -0.037 0.000 0.628 227 G C -2.654 172.196 174.900 -0.085 0.000 1.412 227 G CA -0.889 44.177 45.100 -0.057 0.000 0.864 227 G HN 0.039 nan 8.290 nan 0.000 0.544 228 P HA 0.359 nan 4.420 nan 0.000 0.274 228 P C 0.637 177.818 177.300 -0.198 0.000 1.246 228 P CA 0.067 62.995 63.100 -0.285 0.000 0.795 228 P CB 1.234 32.403 31.700 -0.885 0.000 1.006 229 S N -0.351 115.369 115.700 0.033 0.000 2.528 229 S HA 0.100 4.548 4.470 -0.037 0.000 0.219 229 S C 0.759 175.524 174.600 0.275 0.000 0.985 229 S CA 0.212 58.509 58.200 0.163 0.000 0.914 229 S CB -0.734 62.618 63.200 0.253 0.000 0.776 229 S HN 0.561 nan 8.310 nan 0.000 0.526 230 F N 2.100 122.283 119.950 0.388 0.000 2.403 230 F HA 0.740 5.245 4.527 -0.037 0.000 0.326 230 F C 0.097 175.997 175.800 0.166 0.000 1.081 230 F CA -1.063 57.135 58.000 0.330 0.000 1.041 230 F CB 0.372 39.541 39.000 0.281 0.000 1.234 230 F HN -0.144 nan 8.300 nan 0.000 0.503 231 T N -0.258 114.525 114.554 0.381 0.000 2.886 231 T HA 0.700 5.028 4.350 -0.037 0.000 0.292 231 T C -1.248 173.622 174.700 0.285 0.000 1.012 231 T CA -0.817 61.427 62.100 0.241 0.000 0.982 231 T CB 1.265 70.225 68.868 0.153 0.000 1.018 231 T HN 0.681 nan 8.240 nan 0.000 0.451 232 V N 3.489 123.548 119.914 0.240 0.000 2.357 232 V HA 0.713 4.811 4.120 -0.037 0.000 0.284 232 V C 0.540 176.731 176.094 0.162 0.000 1.018 232 V CA -0.628 61.793 62.300 0.201 0.000 0.841 232 V CB 0.988 32.926 31.823 0.192 0.000 0.991 232 V HN 1.243 nan 8.190 nan 0.000 0.437 233 T N 0.334 114.998 114.554 0.183 0.000 2.893 233 T HA 0.677 5.005 4.350 -0.037 0.000 0.291 233 T C 0.741 175.522 174.700 0.135 0.000 1.028 233 T CA 0.018 62.203 62.100 0.142 0.000 0.995 233 T CB 1.738 70.682 68.868 0.127 0.000 1.051 233 T HN 1.809 nan 8.240 nan 0.000 0.470 234 G N 0.310 109.162 108.800 0.088 0.000 2.198 234 G HA2 0.131 4.069 3.960 -0.037 0.000 0.260 234 G HA3 0.131 4.069 3.960 -0.037 0.000 0.260 234 G C 1.324 176.275 174.900 0.084 0.000 1.025 234 G CA 0.834 45.979 45.100 0.075 0.000 0.769 234 G HN 2.408 nan 8.290 nan 0.000 0.507 235 G N -0.003 108.847 108.800 0.083 0.000 2.507 235 G HA2 -0.317 3.621 3.960 -0.037 0.000 0.240 235 G HA3 -0.317 3.621 3.960 -0.037 0.000 0.240 235 G C 1.003 175.952 174.900 0.081 0.000 1.119 235 G CA 1.435 46.580 45.100 0.075 0.000 0.664 235 G HN 2.216 nan 8.290 nan 0.000 0.516 236 N N -0.468 118.291 118.700 0.099 0.000 2.116 236 N HA 0.095 4.813 4.740 -0.037 0.000 0.230 236 N C -0.154 175.417 175.510 0.101 0.000 1.326 236 N CA 0.203 53.304 53.050 0.086 0.000 0.867 236 N CB -0.291 38.243 38.487 0.078 0.000 1.174 236 N HN 0.594 nan 8.380 nan 0.000 0.506 237 H N 1.694 120.793 119.070 0.048 0.000 2.604 237 H HA 0.311 4.845 4.556 -0.037 0.000 0.306 237 H C -0.687 174.677 175.328 0.060 0.000 1.075 237 H CA -0.220 55.855 56.048 0.044 0.000 1.357 237 H CB 0.971 30.763 29.762 0.050 0.000 1.426 237 H HN -0.026 nan 8.280 nan 0.000 0.470 238 I N 4.332 124.673 120.570 -0.382 0.000 2.460 238 I HA 0.221 4.369 4.170 -0.037 0.000 0.298 238 I C 0.120 176.121 176.117 -0.193 0.000 0.989 238 I CA -0.606 60.585 61.300 -0.181 0.000 1.173 238 I CB 1.755 39.655 38.000 -0.167 0.000 1.338 238 I HN 0.572 nan 8.210 nan 0.000 0.456 239 E N 5.212 125.463 120.200 0.085 0.000 2.279 239 E HA 0.224 4.552 4.350 -0.037 0.000 0.252 239 E C -1.784 175.010 176.600 0.323 0.000 0.894 239 E CA -0.336 56.162 56.400 0.163 0.000 0.785 239 E CB 2.456 32.262 29.700 0.176 0.000 1.237 239 E HN 0.613 nan 8.360 nan 0.000 0.418 240 W N 3.999 125.376 121.300 0.129 0.000 2.884 240 W HA 0.179 4.817 4.660 -0.036 0.000 0.336 240 W C -0.246 176.398 176.519 0.208 0.000 1.038 240 W CA -0.441 57.014 57.345 0.183 0.000 1.247 240 W CB 0.914 30.480 29.460 0.177 0.000 1.351 240 W HN 0.270 nan 8.180 nan 0.000 0.446 241 E N 5.879 125.767 120.200 -0.520 0.000 2.183 241 E HA -0.321 4.006 4.350 -0.037 0.000 0.196 241 E C 0.544 176.899 176.600 -0.409 0.000 1.364 241 E CA 1.785 57.820 56.400 -0.608 0.000 0.700 241 E CB -1.048 27.944 29.700 -1.180 0.000 1.106 241 E HN 0.928 nan 8.360 nan 0.000 0.347 242 K N -3.641 116.538 120.400 -0.368 0.000 3.610 242 K HA -0.249 4.049 4.320 -0.037 0.000 0.283 242 K C 0.089 176.300 176.600 -0.649 0.000 1.210 242 K CA 1.782 57.689 56.287 -0.633 0.000 1.026 242 K CB -1.372 30.459 32.500 -1.115 0.000 1.295 242 K HN 0.292 nan 8.250 nan 0.000 0.468 243 W N 1.708 122.845 121.300 -0.271 0.000 2.261 243 W HA 0.413 5.051 4.660 -0.036 0.000 0.323 243 W C 0.572 177.077 176.519 -0.023 0.000 1.243 243 W CA -0.187 57.131 57.345 -0.046 0.000 1.210 243 W CB 1.555 31.134 29.460 0.199 0.000 1.149 243 W HN -0.034 nan 8.180 nan 0.000 0.562 244 S N 4.693 120.549 115.700 0.260 0.000 2.571 244 S HA 0.822 5.270 4.470 -0.037 0.000 0.284 244 S C -1.105 173.510 174.600 0.026 0.000 1.128 244 S CA -0.703 57.545 58.200 0.080 0.000 0.970 244 S CB 0.108 63.371 63.200 0.105 0.000 1.039 244 S HN 0.520 nan 8.310 nan 0.000 0.485 245 L N 1.327 122.443 121.223 -0.178 0.000 2.940 245 L HA 0.767 5.085 4.340 -0.037 0.000 0.270 245 L C -2.023 174.702 176.870 -0.242 0.000 1.030 245 L CA -0.983 53.756 54.840 -0.168 0.000 0.928 245 L CB 1.769 43.740 42.059 -0.147 0.000 1.506 245 L HN 0.359 nan 8.230 nan 0.000 0.405 246 D N 1.577 121.899 120.400 -0.131 0.000 2.408 246 D HA 0.445 5.063 4.640 -0.037 0.000 0.243 246 D C -0.735 175.550 176.300 -0.026 0.000 1.075 246 D CA -0.237 53.742 54.000 -0.034 0.000 0.832 246 D CB 3.033 43.852 40.800 0.032 0.000 1.162 246 D HN 0.387 nan 8.370 nan 0.000 0.515 247 V N 2.421 122.315 119.914 -0.033 0.000 2.372 247 V HA 0.443 4.541 4.120 -0.037 0.000 0.261 247 V C 1.086 177.212 176.094 0.053 0.000 1.055 247 V CA -0.319 61.950 62.300 -0.050 0.000 0.930 247 V CB 0.968 32.745 31.823 -0.076 0.000 1.031 247 V HN 0.582 nan 8.190 nan 0.000 0.479 248 G N 3.161 112.011 108.800 0.083 0.000 2.557 248 G HA2 0.714 4.652 3.960 -0.037 0.000 0.302 248 G HA3 0.714 4.652 3.960 -0.037 0.000 0.302 248 G C -1.412 173.572 174.900 0.139 0.000 1.311 248 G CA -0.481 44.722 45.100 0.171 0.000 1.030 248 G HN 0.516 nan 8.290 nan 0.000 0.509 249 F N -0.332 119.594 119.950 -0.042 0.000 2.639 249 F HA 0.432 4.936 4.527 -0.037 0.000 0.326 249 F C -1.744 174.008 175.800 -0.081 0.000 1.150 249 F CA -0.838 57.092 58.000 -0.117 0.000 1.057 249 F CB 2.293 41.211 39.000 -0.137 0.000 1.300 249 F HN 0.548 nan 8.300 nan 0.000 0.486 250 D N 3.482 123.540 120.400 -0.570 0.000 2.646 250 D HA 0.423 5.041 4.640 -0.037 0.000 0.245 250 D C 0.685 176.688 176.300 -0.496 0.000 1.099 250 D CA -0.577 53.238 54.000 -0.309 0.000 0.849 250 D CB 2.207 42.928 40.800 -0.131 0.000 1.448 250 D HN 0.368 nan 8.370 nan 0.000 0.489 251 V N 2.371 122.181 119.914 -0.173 0.000 2.594 251 V HA -0.089 4.009 4.120 -0.037 0.000 0.253 251 V C 1.990 178.061 176.094 -0.038 0.000 1.069 251 V CA 1.567 63.813 62.300 -0.089 0.000 1.082 251 V CB -0.594 31.225 31.823 -0.007 0.000 0.680 251 V HN 0.603 nan 8.190 nan 0.000 0.469 252 R N 0.424 120.954 120.500 0.051 0.000 2.052 252 R HA -0.008 4.310 4.340 -0.037 0.000 0.224 252 R C 2.405 178.670 176.300 -0.060 0.000 1.149 252 R CA 1.535 57.642 56.100 0.012 0.000 0.962 252 R CB -0.220 30.034 30.300 -0.075 0.000 0.856 252 R HN 0.604 nan 8.270 nan 0.000 0.433 253 E N -0.479 119.667 120.200 -0.090 0.000 2.285 253 E HA 0.094 4.422 4.350 -0.037 0.000 0.194 253 E C 0.729 177.168 176.600 -0.267 0.000 0.997 253 E CA 0.445 56.782 56.400 -0.106 0.000 0.845 253 E CB 0.356 30.030 29.700 -0.044 0.000 0.782 253 E HN 0.576 nan 8.360 nan 0.000 0.491 254 G N 0.581 109.038 108.800 -0.571 0.000 2.499 254 G HA2 -0.293 3.645 3.960 -0.037 0.000 0.232 254 G HA3 -0.293 3.645 3.960 -0.037 0.000 0.232 254 G C -0.152 174.106 174.900 -1.070 0.000 1.251 254 G CA -0.396 44.064 45.100 -1.067 0.000 0.917 254 G HN 0.106 nan 8.290 nan 0.000 0.580 255 V N 0.636 120.014 119.914 -0.893 0.000 2.540 255 V HA 0.387 4.485 4.120 -0.037 0.000 0.297 255 V C 0.900 176.883 176.094 -0.185 0.000 1.024 255 V CA 0.347 62.459 62.300 -0.313 0.000 1.105 255 V CB 0.826 32.642 31.823 -0.012 0.000 0.938 255 V HN 0.880 nan 8.190 nan 0.000 0.482 256 V N 6.652 126.423 119.914 -0.238 0.000 2.769 256 V HA 0.522 4.620 4.120 -0.037 0.000 0.312 256 V C -0.238 175.568 176.094 -0.479 0.000 1.061 256 V CA -0.735 61.356 62.300 -0.347 0.000 0.931 256 V CB 2.071 33.694 31.823 -0.333 0.000 1.010 256 V HN 0.604 nan 8.190 nan 0.000 0.433 257 L N 3.861 124.685 121.223 -0.665 0.000 2.313 257 L HA 0.609 4.927 4.340 -0.037 0.000 0.283 257 L C -0.845 175.662 176.870 -0.605 0.000 1.013 257 L CA -0.510 53.956 54.840 -0.624 0.000 0.816 257 L CB 1.423 43.011 42.059 -0.786 0.000 1.236 257 L HN 0.704 nan 8.230 nan 0.000 0.419 258 H N 2.657 121.558 119.070 -0.282 0.000 2.529 258 H HA 0.340 4.873 4.556 -0.037 0.000 0.348 258 H C -0.245 174.875 175.328 -0.346 0.000 1.152 258 H CA -0.762 55.096 56.048 -0.317 0.000 1.202 258 H CB 1.200 30.728 29.762 -0.390 0.000 1.562 258 H HN 0.503 nan 8.280 nan 0.000 0.515 259 N N 1.675 120.245 118.700 -0.217 0.000 2.669 259 N HA -0.208 4.510 4.740 -0.037 0.000 0.266 259 N C -0.875 174.565 175.510 -0.115 0.000 1.024 259 N CA 0.591 53.521 53.050 -0.200 0.000 0.766 259 N CB -1.034 37.286 38.487 -0.278 0.000 0.898 259 N HN 0.552 nan 8.380 nan 0.000 0.548 260 I N 0.502 121.007 120.570 -0.107 0.000 2.421 260 I HA 0.288 4.436 4.170 -0.037 0.000 0.291 260 I C 0.949 177.107 176.117 0.070 0.000 1.089 260 I CA -0.016 61.280 61.300 -0.006 0.000 1.354 260 I CB 0.545 38.520 38.000 -0.043 0.000 1.413 260 I HN 0.350 nan 8.210 nan 0.000 0.513 261 A N 7.034 129.949 122.820 0.159 0.000 2.454 261 A HA 0.747 5.045 4.320 -0.037 0.000 0.302 261 A C -1.450 176.249 177.584 0.190 0.000 1.079 261 A CA -0.443 51.678 52.037 0.141 0.000 0.731 261 A CB 1.520 20.566 19.000 0.075 0.000 1.299 261 A HN 0.541 nan 8.150 nan 0.000 0.413 262 F N 0.775 120.702 119.950 -0.039 0.000 2.482 262 F HA 0.612 5.117 4.527 -0.037 0.000 0.331 262 F C 0.555 176.341 175.800 -0.022 0.000 1.115 262 F CA -0.564 57.341 58.000 -0.159 0.000 0.955 262 F CB 1.689 40.534 39.000 -0.257 0.000 1.136 262 F HN 0.610 nan 8.300 nan 0.000 0.452 263 R N 4.073 124.367 120.500 -0.343 0.000 2.429 263 R HA 0.094 4.411 4.340 -0.037 0.000 0.302 263 R C -0.830 175.497 176.300 0.045 0.000 1.268 263 R CA -0.103 55.920 56.100 -0.128 0.000 1.090 263 R CB -0.451 29.734 30.300 -0.192 0.000 1.102 263 R HN 0.518 nan 8.270 nan 0.000 0.522 264 D N 3.858 124.422 120.400 0.274 0.000 2.517 264 D HA 0.137 4.755 4.640 -0.037 0.000 0.220 264 D C -0.025 176.368 176.300 0.154 0.000 1.158 264 D CA 0.261 54.468 54.000 0.346 0.000 0.992 264 D CB 0.140 41.121 40.800 0.302 0.000 1.058 264 D HN 0.715 nan 8.370 nan 0.000 0.516 265 G N 4.012 112.877 108.800 0.108 0.000 2.292 265 G HA2 -0.264 3.674 3.960 -0.037 0.000 0.221 265 G HA3 -0.264 3.674 3.960 -0.037 0.000 0.221 265 G C 0.550 175.470 174.900 0.035 0.000 0.657 265 G CA 0.246 45.379 45.100 0.056 0.000 1.036 265 G HN 0.577 nan 8.290 nan 0.000 0.309 266 D N -1.070 119.342 120.400 0.019 0.000 2.593 266 D HA -0.217 4.401 4.640 -0.037 0.000 0.176 266 D C 1.072 177.381 176.300 0.014 0.000 1.580 266 D CA 2.139 56.146 54.000 0.013 0.000 1.831 266 D CB -0.651 40.155 40.800 0.010 0.000 1.384 266 D HN 0.979 nan 8.370 nan 0.000 0.479 267 R N 0.917 121.430 120.500 0.021 0.000 2.207 267 R HA 0.410 4.728 4.340 -0.037 0.000 0.334 267 R C -0.636 175.686 176.300 0.036 0.000 1.013 267 R CA -0.629 55.482 56.100 0.019 0.000 0.858 267 R CB 0.465 30.768 30.300 0.004 0.000 1.094 267 R HN 0.042 nan 8.270 nan 0.000 0.457 268 L N 5.901 127.143 121.223 0.031 0.000 2.325 268 L HA 0.257 4.575 4.340 -0.037 0.000 0.284 268 L C -0.387 176.516 176.870 0.055 0.000 1.089 268 L CA 0.274 55.140 54.840 0.044 0.000 0.836 268 L CB 0.418 42.498 42.059 0.036 0.000 1.184 268 L HN 0.523 nan 8.230 nan 0.000 0.444 269 R N 7.260 127.820 120.500 0.101 0.000 2.229 269 R HA 0.426 4.744 4.340 -0.037 0.000 0.328 269 R C -2.395 173.979 176.300 0.124 0.000 1.009 269 R CA -1.800 54.372 56.100 0.120 0.000 0.864 269 R CB 0.868 31.274 30.300 0.176 0.000 1.085 269 R HN 0.479 nan 8.270 nan 0.000 0.453 270 P HA 0.127 nan 4.420 nan 0.000 0.275 270 P C 0.003 177.255 177.300 -0.080 0.000 1.228 270 P CA -0.011 63.061 63.100 -0.046 0.000 0.786 270 P CB 1.252 32.869 31.700 -0.139 0.000 0.927 271 I N 1.252 121.721 120.570 -0.168 0.000 3.739 271 I HA 0.242 4.390 4.170 -0.037 0.000 0.272 271 I C 0.711 176.641 176.117 -0.312 0.000 1.167 271 I CA 0.284 61.382 61.300 -0.338 0.000 1.386 271 I CB 0.410 38.123 38.000 -0.478 0.000 1.490 271 I HN 0.153 nan 8.210 nan 0.000 0.452 272 I N 1.195 121.621 120.570 -0.239 0.000 2.499 272 I HA 0.165 4.313 4.170 -0.037 0.000 0.288 272 I C 0.578 176.571 176.117 -0.207 0.000 1.048 272 I CA -0.291 60.876 61.300 -0.221 0.000 1.062 272 I CB 2.110 39.995 38.000 -0.193 0.000 1.238 272 I HN 0.094 nan 8.210 nan 0.000 0.426 273 N N 5.280 123.858 118.700 -0.203 0.000 2.171 273 N HA 0.018 4.736 4.740 -0.037 0.000 0.184 273 N C 0.511 175.950 175.510 -0.118 0.000 1.021 273 N CA 1.095 54.063 53.050 -0.135 0.000 0.854 273 N CB 0.559 39.037 38.487 -0.014 0.000 0.994 273 N HN 0.550 nan 8.380 nan 0.000 0.426 274 R N -0.014 120.395 120.500 -0.151 0.000 2.515 274 R HA 0.469 4.787 4.340 -0.037 0.000 0.278 274 R C -2.050 174.090 176.300 -0.267 0.000 1.107 274 R CA -0.473 55.493 56.100 -0.223 0.000 0.945 274 R CB 1.802 32.029 30.300 -0.122 0.000 1.219 274 R HN 0.067 nan 8.270 nan 0.000 0.434 275 A N 2.293 124.888 122.820 -0.375 0.000 2.356 275 A HA 0.756 5.054 4.320 -0.037 0.000 0.310 275 A C -0.997 176.384 177.584 -0.338 0.000 1.075 275 A CA -0.414 51.418 52.037 -0.341 0.000 0.746 275 A CB 1.607 20.322 19.000 -0.475 0.000 1.221 275 A HN 0.834 nan 8.150 nan 0.000 0.443 276 S N 1.154 116.817 115.700 -0.061 0.000 2.611 276 S HA 0.608 5.056 4.470 -0.037 0.000 0.268 276 S C -1.188 173.513 174.600 0.167 0.000 1.156 276 S CA -0.706 57.538 58.200 0.072 0.000 0.817 276 S CB 0.772 63.936 63.200 -0.060 0.000 1.122 276 S HN 0.605 nan 8.310 nan 0.000 0.466 277 I N 2.357 123.028 120.570 0.170 0.000 2.276 277 I HA 0.361 4.508 4.170 -0.037 0.000 0.290 277 I C 1.506 177.703 176.117 0.134 0.000 1.109 277 I CA -0.390 61.000 61.300 0.149 0.000 1.229 277 I CB 0.000 38.145 38.000 0.241 0.000 1.452 277 I HN 0.968 nan 8.210 nan 0.000 0.497 278 A N 5.007 127.902 122.820 0.124 0.000 2.121 278 A HA -0.030 4.268 4.320 -0.037 0.000 0.218 278 A C 0.830 178.474 177.584 0.100 0.000 1.154 278 A CA 1.247 53.385 52.037 0.168 0.000 0.679 278 A CB 0.019 19.172 19.000 0.254 0.000 0.795 278 A HN 0.680 nan 8.150 nan 0.000 0.458 279 E N -2.224 117.986 120.200 0.018 0.000 2.392 279 E HA 0.539 4.867 4.350 -0.037 0.000 0.281 279 E C -1.116 175.477 176.600 -0.012 0.000 1.088 279 E CA -0.330 56.040 56.400 -0.050 0.000 0.850 279 E CB 0.843 30.358 29.700 -0.307 0.000 1.267 279 E HN 0.511 nan 8.360 nan 0.000 0.438 280 M N 1.571 121.165 119.600 -0.010 0.000 2.265 280 M HA 0.623 5.081 4.480 -0.037 0.000 0.251 280 M C -1.789 174.364 176.300 -0.245 0.000 1.005 280 M CA -0.785 54.387 55.300 -0.212 0.000 0.998 280 M CB 1.455 33.820 32.600 -0.391 0.000 2.070 280 M HN 0.118 nan 8.290 nan 0.000 0.476 281 V N 2.882 122.608 119.914 -0.313 0.000 2.713 281 V HA 0.728 4.826 4.120 -0.037 0.000 0.307 281 V C -0.185 175.617 176.094 -0.487 0.000 1.052 281 V CA -0.760 61.233 62.300 -0.512 0.000 0.967 281 V CB 1.924 33.379 31.823 -0.614 0.000 1.019 281 V HN 0.734 nan 8.190 nan 0.000 0.459 282 V N 4.550 124.202 119.914 -0.436 0.000 2.383 282 V HA 0.289 4.387 4.120 -0.037 0.000 0.261 282 V C -2.389 173.486 176.094 -0.364 0.000 0.987 282 V CA -1.203 60.822 62.300 -0.459 0.000 0.853 282 V CB 1.232 32.768 31.823 -0.478 0.000 1.095 282 V HN 0.761 nan 8.190 nan 0.000 0.461 283 P HA 0.290 nan 4.420 nan 0.000 0.279 283 P C -1.279 175.831 177.300 -0.316 0.000 1.239 283 P CA -0.176 62.797 63.100 -0.212 0.000 0.789 283 P CB 1.123 32.713 31.700 -0.184 0.000 0.933 284 Y N 0.147 120.396 120.300 -0.084 0.000 2.360 284 Y HA 0.425 4.954 4.550 -0.034 0.000 0.337 284 Y C 1.807 177.699 175.900 -0.013 0.000 1.039 284 Y CA 0.167 58.237 58.100 -0.051 0.000 1.109 284 Y CB 1.503 39.881 38.460 -0.137 0.000 1.201 284 Y HN 0.471 nan 8.280 nan 0.000 0.458 285 G N 1.056 109.942 108.800 0.143 0.000 3.042 285 G HA2 -0.090 3.848 3.960 -0.037 0.000 0.212 285 G HA3 -0.090 3.848 3.960 -0.037 0.000 0.212 285 G C -0.139 174.830 174.900 0.115 0.000 1.166 285 G CA -0.089 45.094 45.100 0.138 0.000 0.767 285 G HN 0.518 nan 8.290 nan 0.000 0.546 286 D N 1.158 121.619 120.400 0.102 0.000 2.343 286 D HA 0.155 4.773 4.640 -0.037 0.000 0.255 286 D C -1.093 175.209 176.300 0.003 0.000 1.187 286 D CA -2.048 51.966 54.000 0.024 0.000 0.875 286 D CB 2.125 42.930 40.800 0.009 0.000 1.136 286 D HN 0.089 nan 8.370 nan 0.000 0.469 287 P HA -0.006 nan 4.420 nan 0.000 0.249 287 P C 0.340 177.639 177.300 -0.001 0.000 1.229 287 P CA -0.107 62.997 63.100 0.006 0.000 0.788 287 P CB 0.230 31.941 31.700 0.018 0.000 1.072 288 S N 2.630 118.321 115.700 -0.015 0.000 2.549 288 S HA 0.108 4.556 4.470 -0.037 0.000 0.286 288 S C -0.987 173.620 174.600 0.012 0.000 1.314 288 S CA -0.955 57.242 58.200 -0.004 0.000 1.062 288 S CB 0.185 63.365 63.200 -0.032 0.000 0.865 288 S HN -0.003 nan 8.310 nan 0.000 0.498 289 P HA -0.079 nan 4.420 nan 0.000 0.229 289 P C 1.092 178.516 177.300 0.207 0.000 1.150 289 P CA 0.598 63.770 63.100 0.120 0.000 0.765 289 P CB -0.064 31.709 31.700 0.121 0.000 0.783 290 I N -0.648 120.003 120.570 0.135 0.000 2.876 290 I HA 0.024 4.172 4.170 -0.037 0.000 0.264 290 I C 1.963 178.171 176.117 0.152 0.000 1.204 290 I CA 0.861 62.278 61.300 0.196 0.000 1.485 290 I CB -0.780 37.253 38.000 0.054 0.000 1.103 290 I HN 0.013 nan 8.210 nan 0.000 0.446 291 R N -0.593 119.816 120.500 -0.153 0.000 2.526 291 R HA 0.095 4.413 4.340 -0.037 0.000 0.346 291 R C 1.876 177.788 176.300 -0.646 0.000 0.926 291 R CA 0.459 56.199 56.100 -0.600 0.000 1.147 291 R CB 0.345 30.419 30.300 -0.376 0.000 1.629 291 R HN 0.221 nan 8.270 nan 0.000 0.516 292 S N 0.799 116.301 115.700 -0.330 0.000 2.469 292 S HA -0.131 4.316 4.470 -0.037 0.000 0.238 292 S C 1.524 175.979 174.600 -0.241 0.000 0.998 292 S CA 0.605 58.688 58.200 -0.195 0.000 0.957 292 S CB -0.402 62.752 63.200 -0.076 0.000 0.764 292 S HN 0.614 nan 8.310 nan 0.000 0.514 293 W N 0.867 122.007 121.300 -0.268 0.000 2.863 293 W HA 0.333 4.969 4.660 -0.041 0.000 0.258 293 W C 0.629 177.176 176.519 0.047 0.000 1.298 293 W CA -0.479 56.602 57.345 -0.440 0.000 1.451 293 W CB -0.701 28.396 29.460 -0.604 0.000 1.107 293 W HN 0.272 nan 8.180 nan 0.000 0.641 294 Q N 2.878 122.231 119.800 -0.746 0.000 2.244 294 Q HA 0.044 4.362 4.340 -0.037 0.000 0.278 294 Q C -0.808 175.213 176.000 0.035 0.000 1.093 294 Q CA 0.825 56.257 55.803 -0.618 0.000 0.916 294 Q CB 0.052 28.130 28.738 -1.100 0.000 1.159 294 Q HN 0.048 nan 8.270 nan 0.000 0.384 295 N N 4.667 123.490 118.700 0.205 0.000 2.655 295 N HA 0.115 4.833 4.740 -0.037 0.000 0.277 295 N C -1.892 173.805 175.510 0.311 0.000 1.177 295 N CA -0.422 52.772 53.050 0.240 0.000 0.882 295 N CB 0.894 39.509 38.487 0.213 0.000 1.481 295 N HN 0.372 nan 8.380 nan 0.000 0.547 296 Y N 0.700 121.009 120.300 0.016 0.000 2.308 296 Y HA 0.422 4.949 4.550 -0.038 0.000 0.329 296 Y C 0.388 176.267 175.900 -0.035 0.000 1.111 296 Y CA -0.708 57.469 58.100 0.129 0.000 1.179 296 Y CB 0.592 39.080 38.460 0.046 0.000 1.201 296 Y HN 0.348 nan 8.280 nan 0.000 0.483 297 F N 2.315 122.489 119.950 0.374 0.000 2.434 297 F HA 0.244 4.749 4.527 -0.037 0.000 0.316 297 F C 0.818 176.801 175.800 0.304 0.000 1.222 297 F CA -0.857 57.284 58.000 0.234 0.000 1.207 297 F CB 0.045 39.145 39.000 0.166 0.000 1.466 297 F HN 0.547 nan 8.300 nan 0.000 0.545 298 D N -0.036 120.572 120.400 0.347 0.000 2.248 298 D HA -0.256 4.362 4.640 -0.037 0.000 0.189 298 D C 2.051 178.567 176.300 0.361 0.000 1.011 298 D CA 2.453 56.653 54.000 0.333 0.000 0.868 298 D CB 0.017 40.894 40.800 0.128 0.000 0.931 298 D HN 0.337 nan 8.370 nan 0.000 0.449 299 T N -0.938 113.760 114.554 0.240 0.000 2.735 299 T HA -0.011 4.317 4.350 -0.037 0.000 0.256 299 T C 2.081 176.848 174.700 0.111 0.000 1.042 299 T CA 1.254 63.450 62.100 0.160 0.000 1.147 299 T CB -0.824 68.097 68.868 0.089 0.000 0.865 299 T HN 0.305 nan 8.240 nan 0.000 0.421 300 G N 1.033 109.904 108.800 0.118 0.000 2.422 300 G HA2 -0.172 3.766 3.960 -0.037 0.000 0.218 300 G HA3 -0.172 3.766 3.960 -0.037 0.000 0.218 300 G C 1.422 176.343 174.900 0.035 0.000 1.146 300 G CA 0.754 45.854 45.100 0.000 0.000 0.769 300 G HN 0.526 nan 8.290 nan 0.000 0.547 301 E N -1.488 118.828 120.200 0.194 0.000 2.290 301 E HA 0.134 4.462 4.350 -0.037 0.000 0.197 301 E C 1.641 178.258 176.600 0.028 0.000 0.948 301 E CA 0.127 56.578 56.400 0.085 0.000 0.895 301 E CB 0.203 29.963 29.700 0.100 0.000 0.865 301 E HN 0.549 nan 8.360 nan 0.000 0.486 302 Y N 0.161 120.635 120.300 0.289 0.000 2.507 302 Y HA 0.303 4.830 4.550 -0.038 0.000 0.263 302 Y C -0.017 176.136 175.900 0.421 0.000 1.093 302 Y CA -0.081 58.271 58.100 0.420 0.000 1.285 302 Y CB 0.583 39.331 38.460 0.481 0.000 1.115 302 Y HN -0.168 nan 8.280 nan 0.000 0.533 303 L N 0.064 121.528 121.223 0.402 0.000 2.895 303 L HA -0.254 4.064 4.340 -0.037 0.000 0.661 303 L C 0.777 177.835 176.870 0.315 0.000 1.020 303 L CA -0.556 54.436 54.840 0.253 0.000 1.342 303 L CB -1.545 40.615 42.059 0.168 0.000 1.851 303 L HN -0.018 nan 8.230 nan 0.000 0.881 304 V N 2.210 122.292 119.914 0.280 0.000 2.250 304 V HA -0.302 3.796 4.120 -0.037 0.000 0.250 304 V C 2.412 178.698 176.094 0.321 0.000 1.060 304 V CA 2.886 65.382 62.300 0.328 0.000 1.030 304 V CB -0.523 31.423 31.823 0.205 0.000 0.643 304 V HN 0.993 nan 8.190 nan 0.000 0.445 305 G N -1.577 107.288 108.800 0.108 0.000 2.485 305 G HA2 -0.365 3.573 3.960 -0.037 0.000 0.221 305 G HA3 -0.365 3.573 3.960 -0.037 0.000 0.221 305 G C 1.507 176.549 174.900 0.236 0.000 1.115 305 G CA 1.061 46.213 45.100 0.085 0.000 0.751 305 G HN 0.582 nan 8.290 nan 0.000 0.567 306 Q N -0.817 119.016 119.800 0.057 0.000 2.124 306 Q HA -0.086 4.231 4.340 -0.037 0.000 0.202 306 Q C 1.175 177.023 176.000 -0.254 0.000 0.977 306 Q CA 1.061 56.756 55.803 -0.181 0.000 0.850 306 Q CB -0.129 28.335 28.738 -0.457 0.000 0.901 306 Q HN 0.627 nan 8.270 nan 0.000 0.429 307 Y N -0.232 120.250 120.300 0.304 0.000 2.583 307 Y HA 0.437 4.965 4.550 -0.035 0.000 0.294 307 Y C 0.233 176.331 175.900 0.329 0.000 1.170 307 Y CA -0.347 57.935 58.100 0.304 0.000 1.265 307 Y CB -0.242 38.408 38.460 0.316 0.000 1.119 307 Y HN 0.066 nan 8.280 nan 0.000 0.522 308 A N 1.002 124.090 122.820 0.447 0.000 2.511 308 A HA 0.164 4.462 4.320 -0.037 0.000 0.242 308 A C 0.250 178.048 177.584 0.357 0.000 1.069 308 A CA -0.387 51.948 52.037 0.497 0.000 0.763 308 A CB 0.017 19.339 19.000 0.538 0.000 1.001 308 A HN 0.366 nan 8.150 nan 0.000 0.498 309 N N 0.737 119.647 118.700 0.350 0.000 2.434 309 N HA 0.349 5.067 4.740 -0.037 0.000 0.266 309 N C -0.517 175.109 175.510 0.194 0.000 1.223 309 N CA -0.346 52.849 53.050 0.241 0.000 0.972 309 N CB 0.707 39.315 38.487 0.201 0.000 1.207 309 N HN 0.460 nan 8.380 nan 0.000 0.525 310 S N 0.567 116.340 115.700 0.122 0.000 2.410 310 S HA 0.356 4.804 4.470 -0.037 0.000 0.304 310 S C 0.228 174.870 174.600 0.071 0.000 1.095 310 S CA -0.672 57.569 58.200 0.068 0.000 1.089 310 S CB -0.096 63.115 63.200 0.018 0.000 0.968 310 S HN 0.229 nan 8.310 nan 0.000 0.480 311 L N 3.627 124.921 121.223 0.118 0.000 2.380 311 L HA 0.330 4.648 4.340 -0.037 0.000 0.273 311 L C 0.693 177.629 176.870 0.109 0.000 1.138 311 L CA -0.144 54.797 54.840 0.168 0.000 0.832 311 L CB 0.360 42.616 42.059 0.327 0.000 1.124 311 L HN 0.530 nan 8.230 nan 0.000 0.454 312 E N 2.881 123.141 120.200 0.100 0.000 2.204 312 E HA 0.399 4.727 4.350 -0.037 0.000 0.276 312 E C -0.722 175.966 176.600 0.146 0.000 0.974 312 E CA -0.845 55.600 56.400 0.074 0.000 0.815 312 E CB 2.279 31.999 29.700 0.033 0.000 1.119 312 E HN 0.438 nan 8.360 nan 0.000 0.393 313 L N 1.761 123.078 121.223 0.156 0.000 2.453 313 L HA 0.069 4.386 4.340 -0.037 0.000 0.272 313 L C 1.365 178.284 176.870 0.081 0.000 1.182 313 L CA 0.989 55.926 54.840 0.162 0.000 0.858 313 L CB 0.290 42.444 42.059 0.158 0.000 1.120 313 L HN 1.046 nan 8.230 nan 0.000 0.474 314 G N 1.738 110.572 108.800 0.057 0.000 2.363 314 G HA2 -0.318 3.620 3.960 -0.037 0.000 0.238 314 G HA3 -0.318 3.620 3.960 -0.037 0.000 0.238 314 G C 0.832 175.746 174.900 0.024 0.000 1.062 314 G CA 0.381 45.500 45.100 0.030 0.000 0.629 314 G HN 0.685 nan 8.290 nan 0.000 0.514 315 C N 0.022 119.341 119.300 0.032 0.000 2.664 315 C HA 0.287 4.725 4.460 -0.037 0.000 0.285 315 C C 2.301 177.303 174.990 0.019 0.000 1.386 315 C CA 1.431 60.459 59.018 0.016 0.000 1.753 315 C CB -0.585 27.159 27.740 0.006 0.000 2.115 315 C HN 0.569 nan 8.230 nan 0.000 0.577 316 D N -0.317 120.108 120.400 0.043 0.000 2.213 316 D HA 0.045 4.662 4.640 -0.037 0.000 0.205 316 D C 0.168 176.541 176.300 0.121 0.000 0.961 316 D CA 1.035 55.076 54.000 0.068 0.000 0.853 316 D CB 0.167 41.017 40.800 0.083 0.000 0.967 316 D HN 0.418 nan 8.370 nan 0.000 0.496 317 c N 1.388 120.042 118.600 0.089 0.000 2.446 317 c HA 0.523 5.071 4.570 -0.037 0.000 0.329 317 c C -0.561 173.487 174.090 -0.070 0.000 1.166 317 c CA -1.091 55.242 56.329 0.007 0.000 1.341 317 c CB 1.258 43.762 42.510 -0.009 0.000 1.970 317 c HN 0.149 nan 8.230 nan 0.000 0.452 318 L N 3.847 124.980 121.223 -0.149 0.000 2.329 318 L HA 0.975 5.293 4.340 -0.037 0.000 0.279 318 L C 0.404 177.154 176.870 -0.201 0.000 1.014 318 L CA 1.596 56.365 54.840 -0.119 0.000 0.814 318 L CB 1.201 43.231 42.059 -0.049 0.000 1.257 318 L HN 1.168 nan 8.230 nan 0.000 0.424 319 G N 3.221 111.958 108.800 -0.105 0.000 2.396 319 G HA2 -0.131 3.807 3.960 -0.037 0.000 0.254 319 G HA3 -0.131 3.807 3.960 -0.037 0.000 0.254 319 G C -1.165 173.710 174.900 -0.042 0.000 1.248 319 G CA -0.325 44.736 45.100 -0.066 0.000 1.033 319 G HN 0.721 nan 8.290 nan 0.000 0.502 320 D N 1.357 121.765 120.400 0.012 0.000 2.383 320 D HA 0.365 4.983 4.640 -0.037 0.000 0.245 320 D C 0.436 176.770 176.300 0.056 0.000 1.263 320 D CA -0.066 53.954 54.000 0.034 0.000 0.936 320 D CB -0.063 40.763 40.800 0.044 0.000 1.053 320 D HN 0.367 nan 8.370 nan 0.000 0.507 321 I N 2.741 123.304 120.570 -0.011 0.000 2.437 321 I HA 0.212 4.360 4.170 -0.037 0.000 0.298 321 I C 0.818 176.888 176.117 -0.077 0.000 0.984 321 I CA -0.615 60.627 61.300 -0.096 0.000 1.214 321 I CB 1.383 39.178 38.000 -0.341 0.000 1.365 321 I HN 0.246 nan 8.210 nan 0.000 0.469 322 T N 2.739 117.265 114.554 -0.047 0.000 2.809 322 T HA 0.618 4.946 4.350 -0.037 0.000 0.284 322 T C -0.741 173.915 174.700 -0.072 0.000 0.992 322 T CA -0.628 61.504 62.100 0.052 0.000 0.957 322 T CB 0.717 69.747 68.868 0.271 0.000 0.942 322 T HN 0.241 nan 8.240 nan 0.000 0.439 323 Y N 1.824 122.178 120.300 0.090 0.000 2.403 323 Y HA 0.690 5.218 4.550 -0.037 0.000 0.323 323 Y C 0.300 176.219 175.900 0.032 0.000 1.226 323 Y CA -1.447 56.687 58.100 0.056 0.000 1.235 323 Y CB 1.312 39.798 38.460 0.044 0.000 1.248 323 Y HN 0.506 nan 8.280 nan 0.000 0.489 324 L N 1.274 122.614 121.223 0.195 0.000 2.385 324 L HA 0.424 4.742 4.340 -0.037 0.000 0.273 324 L C -0.795 176.085 176.870 0.017 0.000 0.990 324 L CA -0.592 54.292 54.840 0.072 0.000 0.821 324 L CB 2.047 44.117 42.059 0.018 0.000 1.279 324 L HN 0.561 nan 8.230 nan 0.000 0.412 325 S N 4.023 119.707 115.700 -0.027 0.000 2.475 325 S HA 0.307 4.755 4.470 -0.037 0.000 0.249 325 S C -2.291 172.218 174.600 -0.151 0.000 1.298 325 S CA -1.089 57.060 58.200 -0.085 0.000 1.125 325 S CB 0.490 63.659 63.200 -0.052 0.000 1.054 325 S HN 0.384 nan 8.310 nan 0.000 0.484 326 P HA 0.111 nan 4.420 nan 0.000 0.267 326 P C -0.618 176.538 177.300 -0.240 0.000 1.200 326 P CA -0.192 62.680 63.100 -0.380 0.000 0.772 326 P CB 0.667 31.738 31.700 -1.047 0.000 0.855 327 V N 4.806 124.652 119.914 -0.113 0.000 2.427 327 V HA 0.425 4.523 4.120 -0.037 0.000 0.286 327 V C 0.651 176.746 176.094 0.000 0.000 1.034 327 V CA -0.569 61.703 62.300 -0.047 0.000 0.893 327 V CB 1.398 33.213 31.823 -0.012 0.000 0.982 327 V HN 0.542 nan 8.190 nan 0.000 0.452 328 I N 2.991 123.560 120.570 -0.002 0.000 2.957 328 I HA 0.676 4.823 4.170 -0.037 0.000 0.310 328 I C -0.169 175.941 176.117 -0.012 0.000 1.063 328 I CA -0.372 60.938 61.300 0.016 0.000 1.033 328 I CB 2.551 40.573 38.000 0.036 0.000 1.230 328 I HN 0.664 nan 8.210 nan 0.000 0.447 329 S N 3.110 118.789 115.700 -0.035 0.000 2.489 329 S HA 0.371 4.819 4.470 -0.037 0.000 0.291 329 S C -0.493 174.079 174.600 -0.047 0.000 1.151 329 S CA -0.695 57.478 58.200 -0.045 0.000 1.082 329 S CB 0.891 64.047 63.200 -0.073 0.000 1.019 329 S HN 0.702 nan 8.310 nan 0.000 0.492 330 D N 3.514 123.899 120.400 -0.024 0.000 2.425 330 D HA 0.368 4.986 4.640 -0.037 0.000 0.274 330 D C 1.255 177.493 176.300 -0.104 0.000 1.242 330 D CA -0.058 53.919 54.000 -0.037 0.000 1.060 330 D CB -0.211 40.606 40.800 0.028 0.000 1.112 330 D HN 0.501 nan 8.370 nan 0.000 0.561 331 A N -1.513 121.169 122.820 -0.230 0.000 2.168 331 A HA 0.071 4.369 4.320 -0.037 0.000 0.215 331 A C 1.306 178.561 177.584 -0.548 0.000 1.152 331 A CA 0.457 52.238 52.037 -0.427 0.000 0.716 331 A CB -0.806 17.835 19.000 -0.599 0.000 0.794 331 A HN 0.422 nan 8.150 nan 0.000 0.465 332 F N -1.568 118.384 119.950 0.004 0.000 2.682 332 F HA 0.402 4.907 4.527 -0.037 0.000 0.308 332 F C 1.696 177.488 175.800 -0.013 0.000 1.093 332 F CA 0.152 58.152 58.000 -0.000 0.000 1.244 332 F CB 0.336 39.336 39.000 -0.000 0.000 1.052 332 F HN 0.282 nan 8.300 nan 0.000 0.573 333 G N 0.650 109.501 108.800 0.086 0.000 2.157 333 G HA2 -0.286 3.652 3.960 -0.037 0.000 0.239 333 G HA3 -0.286 3.652 3.960 -0.037 0.000 0.239 333 G C -0.079 174.835 174.900 0.024 0.000 0.982 333 G CA -0.333 44.786 45.100 0.031 0.000 0.650 333 G HN 0.415 nan 8.290 nan 0.000 0.527 334 N N 2.409 121.148 118.700 0.064 0.000 2.499 334 N HA 0.505 5.223 4.740 -0.037 0.000 0.281 334 N C -2.275 173.244 175.510 0.015 0.000 1.098 334 N CA -1.176 51.899 53.050 0.041 0.000 0.979 334 N CB 1.522 40.052 38.487 0.072 0.000 1.121 334 N HN 0.123 nan 8.380 nan 0.000 0.466 335 P HA 0.039 nan 4.420 nan 0.000 0.271 335 P C -0.967 176.333 177.300 0.000 0.000 1.220 335 P CA 0.105 63.199 63.100 -0.010 0.000 0.768 335 P CB 0.889 32.578 31.700 -0.018 0.000 0.848 336 R N 2.708 123.206 120.500 -0.003 0.000 2.534 336 R HA 0.270 4.588 4.340 -0.037 0.000 0.301 336 R C -0.523 175.768 176.300 -0.014 0.000 0.961 336 R CA -0.588 55.513 56.100 0.001 0.000 0.871 336 R CB 1.529 31.834 30.300 0.008 0.000 1.170 336 R HN 0.542 nan 8.270 nan 0.000 0.446 337 E N 5.455 125.645 120.200 -0.018 0.000 2.134 337 E HA 0.186 4.514 4.350 -0.037 0.000 0.278 337 E C -0.284 176.289 176.600 -0.045 0.000 0.959 337 E CA -0.707 55.669 56.400 -0.039 0.000 0.783 337 E CB 0.872 30.551 29.700 -0.034 0.000 1.095 337 E HN 0.412 nan 8.360 nan 0.000 0.399 338 I N 5.355 125.874 120.570 -0.084 0.000 2.278 338 I HA 0.144 4.292 4.170 -0.037 0.000 0.296 338 I C 0.731 176.800 176.117 -0.081 0.000 1.121 338 I CA -0.001 61.254 61.300 -0.075 0.000 1.267 338 I CB -0.206 37.714 38.000 -0.133 0.000 1.447 338 I HN 0.515 nan 8.210 nan 0.000 0.509 339 R N 6.643 127.111 120.500 -0.053 0.000 2.449 339 R HA 0.013 4.330 4.340 -0.037 0.000 0.296 339 R C 0.187 176.431 176.300 -0.094 0.000 1.047 339 R CA 0.098 56.154 56.100 -0.072 0.000 1.018 339 R CB 0.187 30.446 30.300 -0.068 0.000 0.962 339 R HN 0.549 nan 8.270 nan 0.000 0.428 340 N N 2.385 121.014 118.700 -0.118 0.000 2.735 340 N HA -0.167 4.551 4.740 -0.037 0.000 0.248 340 N C 0.582 176.147 175.510 0.092 0.000 1.083 340 N CA 1.177 54.142 53.050 -0.142 0.000 0.703 340 N CB -1.319 36.790 38.487 -0.630 0.000 1.005 340 N HN 0.891 nan 8.380 nan 0.000 0.550 341 G N -1.053 107.778 108.800 0.051 0.000 2.650 341 G HA2 0.236 4.174 3.960 -0.037 0.000 0.214 341 G HA3 0.236 4.174 3.960 -0.037 0.000 0.214 341 G C 0.466 175.466 174.900 0.167 0.000 1.136 341 G CA 0.308 45.457 45.100 0.081 0.000 0.789 341 G HN 0.455 nan 8.290 nan 0.000 0.536 342 I N 0.077 120.753 120.570 0.176 0.000 2.499 342 I HA 0.281 4.429 4.170 -0.037 0.000 0.288 342 I C -0.864 175.357 176.117 0.174 0.000 1.048 342 I CA -0.870 60.534 61.300 0.173 0.000 1.062 342 I CB 2.550 40.588 38.000 0.063 0.000 1.238 342 I HN -0.213 nan 8.210 nan 0.000 0.426 343 c N 7.034 125.704 118.600 0.115 0.000 2.319 343 c HA 0.692 5.240 4.570 -0.037 0.000 0.335 343 c C 0.022 174.091 174.090 -0.035 0.000 1.274 343 c CA -0.436 55.880 56.329 -0.022 0.000 1.806 343 c CB 0.600 43.144 42.510 0.056 0.000 2.329 343 c HN 0.652 nan 8.230 nan 0.000 0.524 344 M N 5.831 125.375 119.600 -0.093 0.000 2.267 344 M HA 0.484 4.942 4.480 -0.037 0.000 0.289 344 M C -0.739 175.526 176.300 -0.057 0.000 1.043 344 M CA -0.154 55.031 55.300 -0.192 0.000 0.928 344 M CB 1.805 34.206 32.600 -0.332 0.000 1.613 344 M HN 0.941 nan 8.290 nan 0.000 0.450 345 H N 1.103 120.029 119.070 -0.239 0.000 3.024 345 H HA 0.425 4.959 4.556 -0.037 0.000 0.324 345 H C -2.078 173.180 175.328 -0.118 0.000 1.347 345 H CA -1.004 55.037 56.048 -0.011 0.000 1.182 345 H CB 1.124 30.901 29.762 0.024 0.000 1.889 345 H HN 0.754 nan 8.280 nan 0.000 0.528 346 E N 1.579 121.812 120.200 0.054 0.000 2.214 346 E HA 0.518 4.846 4.350 -0.037 0.000 0.274 346 E C -0.862 175.795 176.600 0.095 0.000 0.977 346 E CA -0.903 55.427 56.400 -0.116 0.000 0.827 346 E CB 2.475 32.228 29.700 0.089 0.000 1.130 346 E HN 0.732 nan 8.360 nan 0.000 0.394 347 E N 1.571 121.800 120.200 0.049 0.000 2.356 347 E HA 0.251 4.579 4.350 -0.037 0.000 0.275 347 E C -1.481 175.248 176.600 0.215 0.000 0.904 347 E CA -1.042 55.459 56.400 0.168 0.000 0.757 347 E CB 1.427 31.243 29.700 0.193 0.000 1.232 347 E HN 0.510 nan 8.360 nan 0.000 0.442 348 D N 1.405 121.944 120.400 0.231 0.000 2.455 348 D HA -0.063 4.555 4.640 -0.037 0.000 0.241 348 D C -0.821 175.700 176.300 0.369 0.000 1.138 348 D CA 0.214 54.363 54.000 0.249 0.000 0.877 348 D CB 0.516 41.412 40.800 0.160 0.000 1.187 348 D HN 0.531 nan 8.370 nan 0.000 0.451 349 W N 5.579 126.931 121.300 0.088 0.000 2.128 349 W HA 0.351 4.988 4.660 -0.037 0.000 0.356 349 W C 0.285 176.831 176.519 0.046 0.000 0.891 349 W CA 0.180 57.571 57.345 0.077 0.000 2.408 349 W CB 0.087 29.649 29.460 0.169 0.000 1.234 349 W HN 0.816 nan 8.180 nan 0.000 0.597 350 G N 1.953 110.720 108.800 -0.055 0.000 2.553 350 G HA2 -0.302 3.636 3.960 -0.037 0.000 0.242 350 G HA3 -0.302 3.636 3.960 -0.037 0.000 0.242 350 G C -0.555 174.317 174.900 -0.046 0.000 1.277 350 G CA -0.301 44.722 45.100 -0.129 0.000 0.910 350 G HN 0.009 nan 8.290 nan 0.000 0.576 351 I N 1.494 122.020 120.570 -0.074 0.000 2.471 351 I HA 0.208 4.356 4.170 -0.037 0.000 0.286 351 I C 1.632 177.748 176.117 -0.003 0.000 1.079 351 I CA -0.025 61.253 61.300 -0.036 0.000 1.398 351 I CB 0.726 38.697 38.000 -0.049 0.000 1.403 351 I HN 0.653 nan 8.210 nan 0.000 0.530 352 L N 6.863 128.103 121.223 0.028 0.000 2.145 352 L HA 0.434 4.752 4.340 -0.037 0.000 0.201 352 L C 0.686 177.587 176.870 0.053 0.000 1.075 352 L CA 1.095 55.972 54.840 0.062 0.000 0.773 352 L CB 0.106 42.217 42.059 0.085 0.000 0.936 352 L HN 0.697 nan 8.230 nan 0.000 0.451 353 A N -0.571 122.281 122.820 0.053 0.000 2.574 353 A HA 0.678 4.976 4.320 -0.037 0.000 0.297 353 A C -1.105 176.548 177.584 0.114 0.000 1.062 353 A CA -0.593 51.509 52.037 0.108 0.000 0.686 353 A CB 1.204 20.328 19.000 0.207 0.000 1.285 353 A HN 0.072 nan 8.150 nan 0.000 0.403 354 K N 0.728 121.224 120.400 0.161 0.000 2.572 354 K HA 0.572 4.870 4.320 -0.037 0.000 0.263 354 K C -2.247 174.500 176.600 0.246 0.000 0.932 354 K CA -0.530 55.860 56.287 0.171 0.000 0.838 354 K CB 1.808 34.345 32.500 0.062 0.000 1.366 354 K HN 1.121 nan 8.250 nan 0.000 0.425 355 H N 0.157 119.300 119.070 0.122 0.000 3.155 355 H HA 0.330 4.864 4.556 -0.037 0.000 0.328 355 H C -1.998 173.359 175.328 0.049 0.000 1.059 355 H CA -0.371 55.712 56.048 0.058 0.000 1.378 355 H CB 1.738 31.520 29.762 0.034 0.000 1.998 355 H HN 0.419 nan 8.280 nan 0.000 0.480 356 S N 4.143 119.551 115.700 -0.487 0.000 2.520 356 S HA 0.174 4.622 4.470 -0.037 0.000 0.324 356 S C -0.691 173.474 174.600 -0.725 0.000 1.069 356 S CA -0.662 57.292 58.200 -0.411 0.000 1.121 356 S CB 0.489 63.565 63.200 -0.208 0.000 0.971 356 S HN 0.650 nan 8.310 nan 0.000 0.463 357 D N 2.093 122.114 120.400 -0.632 0.000 2.249 357 D HA 0.283 4.900 4.640 -0.037 0.000 0.246 357 D C 0.988 177.153 176.300 -0.225 0.000 1.114 357 D CA -0.558 53.179 54.000 -0.438 0.000 0.854 357 D CB 0.827 41.549 40.800 -0.129 0.000 1.132 357 D HN 0.262 nan 8.370 nan 0.000 0.461 358 L N 5.507 126.566 121.223 -0.274 0.000 2.005 358 L HA -0.015 4.303 4.340 -0.037 0.000 0.207 358 L C 1.415 178.275 176.870 -0.017 0.000 1.072 358 L CA 1.518 56.240 54.840 -0.197 0.000 0.744 358 L CB -0.402 41.467 42.059 -0.316 0.000 0.895 358 L HN 0.610 nan 8.230 nan 0.000 0.433 359 W N -0.083 121.217 121.300 -0.000 0.000 2.355 359 W HA -0.119 4.519 4.660 -0.037 0.000 0.309 359 W C 3.007 179.526 176.519 0.000 0.000 1.206 359 W CA 1.568 58.916 57.345 0.004 0.000 1.284 359 W CB -1.852 27.616 29.460 0.013 0.000 1.145 359 W HN 0.520 nan 8.180 nan 0.000 0.502 360 S N -0.702 115.133 115.700 0.225 0.000 2.496 360 S HA 0.240 4.688 4.470 -0.037 0.000 0.224 360 S C 1.768 176.410 174.600 0.071 0.000 0.996 360 S CA 0.928 59.205 58.200 0.128 0.000 0.927 360 S CB -0.285 62.980 63.200 0.109 0.000 0.774 360 S HN 0.487 nan 8.310 nan 0.000 0.524 361 G N 1.099 109.925 108.800 0.044 0.000 2.155 361 G HA2 -0.244 3.694 3.960 -0.037 0.000 0.257 361 G HA3 -0.244 3.694 3.960 -0.037 0.000 0.257 361 G C 0.012 174.913 174.900 0.001 0.000 0.983 361 G CA 0.455 45.563 45.100 0.014 0.000 0.676 361 G HN 0.615 nan 8.290 nan 0.000 0.528 362 I N 0.962 121.532 120.570 0.001 0.000 2.331 362 I HA 0.267 4.415 4.170 -0.037 0.000 0.292 362 I C -0.459 175.654 176.117 -0.008 0.000 0.998 362 I CA -0.814 60.494 61.300 0.013 0.000 1.267 362 I CB 1.139 39.162 38.000 0.038 0.000 1.386 362 I HN -0.055 nan 8.210 nan 0.000 0.476 363 N N 6.325 125.037 118.700 0.020 0.000 2.444 363 N HA 0.279 4.997 4.740 -0.037 0.000 0.262 363 N C -1.283 174.295 175.510 0.114 0.000 0.974 363 N CA -0.361 52.701 53.050 0.019 0.000 0.933 363 N CB 1.533 40.014 38.487 -0.009 0.000 1.137 363 N HN 0.448 nan 8.380 nan 0.000 0.498 364 Y N 1.309 121.598 120.300 -0.018 0.000 2.331 364 Y HA 0.449 4.977 4.550 -0.037 0.000 0.334 364 Y C -0.881 175.029 175.900 0.016 0.000 0.960 364 Y CA -0.325 57.781 58.100 0.011 0.000 1.130 364 Y CB 1.389 39.872 38.460 0.038 0.000 1.164 364 Y HN 0.311 nan 8.280 nan 0.000 0.458 365 T N 6.869 121.203 114.554 -0.366 0.000 2.916 365 T HA 0.603 4.931 4.350 -0.037 0.000 0.298 365 T C -1.226 173.220 174.700 -0.424 0.000 1.031 365 T CA -1.016 60.907 62.100 -0.295 0.000 0.993 365 T CB 1.232 70.020 68.868 -0.133 0.000 1.045 365 T HN 0.402 nan 8.240 nan 0.000 0.454 366 R N 1.962 122.283 120.500 -0.298 0.000 2.621 366 R HA 0.475 4.793 4.340 -0.037 0.000 0.284 366 R C -0.543 175.716 176.300 -0.067 0.000 0.998 366 R CA -0.847 55.130 56.100 -0.205 0.000 0.895 366 R CB 2.179 32.357 30.300 -0.202 0.000 1.195 366 R HN 0.512 nan 8.270 nan 0.000 0.450 367 R N 1.453 121.937 120.500 -0.026 0.000 2.459 367 R HA 0.280 4.598 4.340 -0.037 0.000 0.281 367 R C 0.257 176.615 176.300 0.097 0.000 1.050 367 R CA -0.733 55.386 56.100 0.032 0.000 1.055 367 R CB 0.936 31.260 30.300 0.040 0.000 1.045 367 R HN 0.413 nan 8.270 nan 0.000 0.495 368 N N 1.123 119.916 118.700 0.156 0.000 2.482 368 N HA 0.371 5.089 4.740 -0.037 0.000 0.279 368 N C -0.858 174.865 175.510 0.355 0.000 1.182 368 N CA -0.326 52.886 53.050 0.269 0.000 0.969 368 N CB 1.123 39.813 38.487 0.337 0.000 1.201 368 N HN 0.401 nan 8.380 nan 0.000 0.523 369 R N -0.465 120.301 120.500 0.444 0.000 2.739 369 R HA 0.494 4.812 4.340 -0.037 0.000 0.271 369 R C -0.957 175.615 176.300 0.454 0.000 1.010 369 R CA -0.862 55.516 56.100 0.462 0.000 0.897 369 R CB 2.182 32.784 30.300 0.503 0.000 1.236 369 R HN 0.659 nan 8.270 nan 0.000 0.466 370 R N 1.651 122.227 120.500 0.127 0.000 2.673 370 R HA 0.503 4.821 4.340 -0.037 0.000 0.281 370 R C -1.490 174.395 176.300 -0.691 0.000 0.991 370 R CA -0.942 54.923 56.100 -0.392 0.000 0.896 370 R CB 1.866 31.613 30.300 -0.922 0.000 1.201 370 R HN 0.506 nan 8.270 nan 0.000 0.457 371 M N 3.336 122.269 119.600 -1.111 0.000 2.157 371 M HA 0.310 4.768 4.480 -0.037 0.000 0.354 371 M C -1.645 174.201 176.300 -0.757 0.000 1.170 371 M CA -0.461 54.081 55.300 -1.263 0.000 1.060 371 M CB 1.554 33.207 32.600 -1.578 0.000 1.615 371 M HN 0.453 nan 8.290 nan 0.000 0.460 372 V N 7.312 126.809 119.914 -0.694 0.000 2.417 372 V HA 0.549 4.647 4.120 -0.037 0.000 0.291 372 V C -0.386 175.474 176.094 -0.390 0.000 1.024 372 V CA -0.529 61.498 62.300 -0.455 0.000 0.861 372 V CB 1.386 32.914 31.823 -0.492 0.000 0.985 372 V HN 0.797 nan 8.190 nan 0.000 0.436 373 I N 4.835 125.265 120.570 -0.234 0.000 2.439 373 I HA 0.586 4.734 4.170 -0.037 0.000 0.283 373 I C -0.070 176.017 176.117 -0.050 0.000 1.023 373 I CA -0.015 61.200 61.300 -0.140 0.000 1.100 373 I CB 1.860 39.781 38.000 -0.132 0.000 1.238 373 I HN 0.762 nan 8.210 nan 0.000 0.445 374 S N 5.840 121.504 115.700 -0.060 0.000 2.651 374 S HA 0.892 5.340 4.470 -0.037 0.000 0.279 374 S C -0.905 173.756 174.600 0.102 0.000 1.148 374 S CA -0.694 57.392 58.200 -0.190 0.000 0.837 374 S CB 2.737 65.446 63.200 -0.818 0.000 1.138 374 S HN 0.546 nan 8.310 nan 0.000 0.478 375 F N -1.000 118.869 119.950 -0.135 0.000 2.678 375 F HA 0.848 5.353 4.527 -0.037 0.000 0.308 375 F C -2.405 173.459 175.800 0.106 0.000 1.118 375 F CA -1.571 56.477 58.000 0.080 0.000 0.959 375 F CB 0.756 39.858 39.000 0.170 0.000 1.305 375 F HN 0.593 nan 8.300 nan 0.000 0.443 376 F N 1.282 121.238 119.950 0.009 0.000 2.508 376 F HA 0.704 5.209 4.527 -0.037 0.000 0.325 376 F C -0.037 175.830 175.800 0.112 0.000 1.090 376 F CA -0.512 57.472 58.000 -0.028 0.000 0.945 376 F CB 2.329 41.373 39.000 0.074 0.000 1.156 376 F HN 0.805 nan 8.300 nan 0.000 0.463 377 T N 2.128 116.882 114.554 0.334 0.000 2.886 377 T HA 0.555 4.883 4.350 -0.037 0.000 0.292 377 T C -1.092 173.859 174.700 0.419 0.000 1.012 377 T CA -0.377 61.982 62.100 0.432 0.000 0.982 377 T CB 0.967 70.103 68.868 0.448 0.000 1.018 377 T HN 0.563 nan 8.240 nan 0.000 0.451 378 T N 5.487 120.262 114.554 0.369 0.000 2.791 378 T HA 0.552 4.880 4.350 -0.037 0.000 0.288 378 T C -0.224 174.560 174.700 0.140 0.000 0.999 378 T CA -0.449 61.786 62.100 0.225 0.000 0.952 378 T CB 0.323 69.300 68.868 0.181 0.000 0.938 378 T HN 0.537 nan 8.240 nan 0.000 0.444 379 I N 3.642 124.237 120.570 0.042 0.000 2.555 379 I HA 0.438 4.586 4.170 -0.037 0.000 0.275 379 I C 1.161 177.193 176.117 -0.141 0.000 1.082 379 I CA -0.275 60.954 61.300 -0.119 0.000 1.167 379 I CB 0.445 38.393 38.000 -0.086 0.000 1.312 379 I HN 0.949 nan 8.210 nan 0.000 0.493 380 G N 6.029 114.768 108.800 -0.102 0.000 2.557 380 G HA2 -0.316 3.622 3.960 -0.037 0.000 0.292 380 G HA3 -0.316 3.622 3.960 -0.037 0.000 0.292 380 G C 0.210 175.077 174.900 -0.055 0.000 1.162 380 G CA 0.360 45.476 45.100 0.026 0.000 0.964 380 G HN 0.670 nan 8.290 nan 0.000 0.541 384 Y N 0.387 120.780 120.300 0.155 0.000 2.446 384 Y HA 0.729 5.257 4.550 -0.036 0.000 0.345 384 Y C 0.801 176.247 175.900 -0.758 0.000 0.984 384 Y CA -0.988 57.013 58.100 -0.165 0.000 1.058 384 Y CB 2.539 40.976 38.460 -0.039 0.000 1.220 384 Y HN 0.439 nan 8.280 nan 0.000 0.455 385 G N 2.444 110.652 108.800 -0.987 0.000 2.487 385 G HA2 0.573 4.511 3.960 -0.037 0.000 0.314 385 G HA3 0.573 4.511 3.960 -0.037 0.000 0.314 385 G C -1.717 172.766 174.900 -0.695 0.000 1.267 385 G CA -0.429 43.846 45.100 -1.375 0.000 0.937 385 G HN 0.327 nan 8.290 nan 0.000 0.481 386 F N 1.839 121.303 119.950 -0.810 0.000 2.385 386 F HA 0.484 4.988 4.527 -0.037 0.000 0.360 386 F C -0.545 174.871 175.800 -0.641 0.000 1.122 386 F CA -0.849 56.869 58.000 -0.470 0.000 1.090 386 F CB 1.523 40.440 39.000 -0.138 0.000 1.150 386 F HN 0.313 nan 8.300 nan 0.000 0.472 387 Y N 1.487 121.401 120.300 -0.643 0.000 2.350 387 Y HA 0.427 4.954 4.550 -0.037 0.000 0.338 387 Y C -1.047 174.194 175.900 -1.098 0.000 0.961 387 Y CA -1.488 56.154 58.100 -0.763 0.000 1.100 387 Y CB 1.348 39.275 38.460 -0.888 0.000 1.179 387 Y HN 0.526 nan 8.280 nan 0.000 0.454 388 W N 3.590 124.561 121.300 -0.548 0.000 2.529 388 W HA 0.596 5.234 4.660 -0.037 0.000 0.321 388 W C -1.442 174.680 176.519 -0.661 0.000 1.047 388 W CA -0.736 56.319 57.345 -0.485 0.000 1.216 388 W CB 1.154 30.480 29.460 -0.222 0.000 1.357 388 W HN 0.336 nan 8.180 nan 0.000 0.489 389 Y N 3.102 123.298 120.300 -0.173 0.000 2.409 389 Y HA 0.670 5.197 4.550 -0.037 0.000 0.343 389 Y C -0.304 175.256 175.900 -0.566 0.000 0.973 389 Y CA -1.647 56.146 58.100 -0.512 0.000 1.064 389 Y CB 1.154 39.176 38.460 -0.729 0.000 1.207 389 Y HN 0.076 nan 8.280 nan 0.000 0.452 390 L N 4.007 124.873 121.223 -0.595 0.000 2.356 390 L HA 0.535 4.853 4.340 -0.037 0.000 0.277 390 L C -1.249 175.394 176.870 -0.378 0.000 0.996 390 L CA -0.822 53.631 54.840 -0.644 0.000 0.822 390 L CB 1.275 42.700 42.059 -1.057 0.000 1.256 390 L HN 0.570 nan 8.230 nan 0.000 0.413 391 Y N 1.895 122.313 120.300 0.196 0.000 2.496 391 Y HA 0.336 4.864 4.550 -0.037 0.000 0.331 391 Y C 1.158 177.477 175.900 0.698 0.000 1.140 391 Y CA -0.765 57.567 58.100 0.386 0.000 1.166 391 Y CB 1.438 40.031 38.460 0.221 0.000 1.249 391 Y HN 0.436 nan 8.280 nan 0.000 0.479 392 L N 0.829 122.475 121.223 0.704 0.000 2.127 392 L HA -0.216 4.102 4.340 -0.037 0.000 0.211 392 L C 1.716 178.821 176.870 0.391 0.000 1.089 392 L CA 1.751 56.877 54.840 0.478 0.000 0.757 392 L CB -0.282 41.943 42.059 0.277 0.000 0.899 392 L HN 0.777 nan 8.230 nan 0.000 0.434 393 D N -0.460 120.143 120.400 0.340 0.000 2.336 393 D HA -0.033 4.585 4.640 -0.037 0.000 0.229 393 D C 1.366 177.726 176.300 0.100 0.000 1.061 393 D CA 0.898 54.979 54.000 0.134 0.000 0.875 393 D CB 0.359 41.214 40.800 0.091 0.000 0.904 393 D HN 0.367 nan 8.370 nan 0.000 0.525 394 G N -0.049 108.981 108.800 0.383 0.000 2.175 394 G HA2 -0.241 3.697 3.960 -0.037 0.000 0.244 394 G HA3 -0.241 3.697 3.960 -0.037 0.000 0.244 394 G C 0.358 175.722 174.900 0.774 0.000 0.982 394 G CA 0.228 45.595 45.100 0.445 0.000 0.641 394 G HN 0.435 nan 8.290 nan 0.000 0.527 395 T N 1.186 116.132 114.554 0.653 0.000 2.884 395 T HA 0.594 4.922 4.350 -0.037 0.000 0.298 395 T C 0.502 175.552 174.700 0.583 0.000 0.998 395 T CA 0.355 62.785 62.100 0.551 0.000 1.124 395 T CB 1.299 70.363 68.868 0.327 0.000 0.931 395 T HN 0.344 nan 8.240 nan 0.000 0.531 396 I N 2.570 123.414 120.570 0.456 0.000 2.465 396 I HA 0.495 4.642 4.170 -0.037 0.000 0.291 396 I C 0.072 176.340 176.117 0.252 0.000 1.014 396 I CA -0.643 60.818 61.300 0.268 0.000 1.093 396 I CB 1.909 40.045 38.000 0.226 0.000 1.267 396 I HN 0.571 nan 8.210 nan 0.000 0.431 397 E N 5.574 125.873 120.200 0.166 0.000 2.331 397 E HA 0.447 4.775 4.350 -0.037 0.000 0.275 397 E C -2.028 174.413 176.600 -0.264 0.000 0.895 397 E CA -0.648 55.755 56.400 0.006 0.000 0.753 397 E CB 2.704 32.546 29.700 0.236 0.000 1.216 397 E HN 0.426 nan 8.360 nan 0.000 0.434 398 F N 2.714 122.117 119.950 -0.913 0.000 2.508 398 F HA 0.524 5.028 4.527 -0.037 0.000 0.325 398 F C -1.041 174.204 175.800 -0.925 0.000 1.090 398 F CA -0.549 56.710 58.000 -1.235 0.000 0.945 398 F CB 1.675 39.602 39.000 -1.789 0.000 1.156 398 F HN 0.508 nan 8.300 nan 0.000 0.463 399 E N 4.249 123.239 120.200 -2.017 0.000 2.291 399 E HA 0.666 4.994 4.350 -0.037 0.000 0.276 399 E C -1.985 173.766 176.600 -1.415 0.000 0.896 399 E CA -0.939 54.670 56.400 -1.318 0.000 0.774 399 E CB 1.719 31.086 29.700 -0.555 0.000 1.227 399 E HN 0.872 nan 8.360 nan 0.000 0.413 400 A N 4.603 126.791 122.820 -1.052 0.000 2.288 400 A HA 0.507 4.805 4.320 -0.037 0.000 0.320 400 A C -0.745 176.569 177.584 -0.451 0.000 1.217 400 A CA -0.696 50.833 52.037 -0.846 0.000 0.840 400 A CB 0.709 19.052 19.000 -1.095 0.000 1.179 400 A HN 0.540 nan 8.150 nan 0.000 0.504 401 K N 2.046 122.245 120.400 -0.334 0.000 2.316 401 K HA 0.533 4.831 4.320 -0.037 0.000 0.267 401 K C -0.452 176.092 176.600 -0.093 0.000 1.025 401 K CA -0.200 55.984 56.287 -0.171 0.000 0.896 401 K CB 1.896 34.329 32.500 -0.111 0.000 1.124 401 K HN 0.716 nan 8.250 nan 0.000 0.451 402 A N 2.744 125.537 122.820 -0.046 0.000 2.260 402 A HA 0.462 4.759 4.320 -0.037 0.000 0.308 402 A C 0.018 177.532 177.584 -0.117 0.000 1.254 402 A CA -0.187 51.799 52.037 -0.085 0.000 0.874 402 A CB 1.066 20.005 19.000 -0.101 0.000 1.153 402 A HN 0.671 nan 8.150 nan 0.000 0.527 403 T N 1.051 115.506 114.554 -0.166 0.000 2.590 403 T HA 0.821 5.149 4.350 -0.037 0.000 0.282 403 T C 0.466 175.039 174.700 -0.212 0.000 0.989 403 T CA 1.034 63.054 62.100 -0.133 0.000 1.091 403 T CB 0.765 69.611 68.868 -0.037 0.000 1.460 403 T HN 2.593 nan 8.240 nan 0.000 0.499 404 G N -0.132 108.544 108.800 -0.208 0.000 2.445 404 G HA2 -0.006 3.932 3.960 -0.037 0.000 0.212 404 G HA3 -0.006 3.932 3.960 -0.037 0.000 0.212 404 G C -1.152 173.584 174.900 -0.273 0.000 1.217 404 G CA -0.208 44.740 45.100 -0.253 0.000 1.002 404 G HN 1.334 nan 8.290 nan 0.000 0.574 405 V N 0.515 120.235 119.914 -0.323 0.000 2.417 405 V HA 0.615 4.713 4.120 -0.037 0.000 0.291 405 V C 0.968 176.912 176.094 -0.250 0.000 1.024 405 V CA -0.243 61.875 62.300 -0.303 0.000 0.861 405 V CB 1.259 32.800 31.823 -0.471 0.000 0.985 405 V HN 1.265 nan 8.190 nan 0.000 0.436 406 V N 5.746 125.650 119.914 -0.017 0.000 2.740 406 V HA 0.213 4.311 4.120 -0.037 0.000 0.303 406 V C -0.138 175.980 176.094 0.040 0.000 1.054 406 V CA 0.073 62.406 62.300 0.055 0.000 1.106 406 V CB 0.842 32.773 31.823 0.179 0.000 0.957 406 V HN 0.679 nan 8.190 nan 0.000 0.486 407 F N 6.236 126.125 119.950 -0.101 0.000 2.504 407 F HA 0.406 4.914 4.527 -0.032 0.000 0.369 407 F C 0.861 176.709 175.800 0.080 0.000 1.082 407 F CA 0.322 58.291 58.000 -0.052 0.000 1.216 407 F CB 0.729 39.663 39.000 -0.111 0.000 1.108 407 F HN 0.750 nan 8.300 nan 0.000 0.554 408 T N 1.855 116.288 114.554 -0.202 0.000 2.936 408 T HA 0.829 5.157 4.350 -0.037 0.000 0.282 408 T C -0.164 174.492 174.700 -0.074 0.000 1.003 408 T CA -0.226 61.832 62.100 -0.070 0.000 1.005 408 T CB 1.639 70.471 68.868 -0.059 0.000 1.097 408 T HN 0.711 nan 8.240 nan 0.000 0.532 409 S N -0.346 115.315 115.700 -0.065 0.000 2.790 409 S HA 0.803 5.251 4.470 -0.037 0.000 0.292 409 S C -0.777 173.761 174.600 -0.103 0.000 1.197 409 S CA -0.842 57.296 58.200 -0.103 0.000 0.851 409 S CB 0.823 63.979 63.200 -0.074 0.000 1.217 409 S HN 1.410 nan 8.310 nan 0.000 0.526 410 A N 0.445 123.175 122.820 -0.151 0.000 2.303 410 A HA 0.735 5.033 4.320 -0.037 0.000 0.317 410 A C -0.989 176.611 177.584 0.028 0.000 1.149 410 A CA -0.493 51.508 52.037 -0.060 0.000 0.822 410 A CB 0.076 19.024 19.000 -0.088 0.000 1.131 410 A HN 0.898 nan 8.150 nan 0.000 0.493 411 F N 3.507 123.431 119.950 -0.044 0.000 2.404 411 F HA 0.517 5.019 4.527 -0.041 0.000 0.358 411 F C -2.136 173.689 175.800 0.043 0.000 1.120 411 F CA -2.456 55.529 58.000 -0.024 0.000 1.144 411 F CB 0.845 39.824 39.000 -0.036 0.000 1.133 411 F HN 0.323 nan 8.300 nan 0.000 0.495 412 P HA 0.026 nan 4.420 nan 0.000 0.266 412 P C 0.350 177.444 177.300 -0.342 0.000 1.195 412 P CA 0.234 63.184 63.100 -0.250 0.000 0.768 412 P CB 0.613 32.165 31.700 -0.247 0.000 0.838 413 E N 1.665 121.787 120.200 -0.129 0.000 2.118 413 E HA -0.144 4.184 4.350 -0.037 0.000 0.195 413 E C 1.934 178.475 176.600 -0.098 0.000 0.992 413 E CA 1.427 57.783 56.400 -0.073 0.000 0.804 413 E CB -0.441 29.232 29.700 -0.045 0.000 0.741 413 E HN 0.657 nan 8.360 nan 0.000 0.458 414 G N 0.372 109.094 108.800 -0.131 0.000 2.920 414 G HA2 0.278 4.216 3.960 -0.037 0.000 0.208 414 G HA3 0.278 4.216 3.960 -0.037 0.000 0.208 414 G C 0.631 175.446 174.900 -0.143 0.000 1.159 414 G CA 0.253 45.291 45.100 -0.103 0.000 0.784 414 G HN 0.474 nan 8.290 nan 0.000 0.535 415 G N -1.363 107.237 108.800 -0.333 0.000 2.757 415 G HA2 0.236 4.174 3.960 -0.037 0.000 0.638 415 G HA3 0.236 4.174 3.960 -0.037 0.000 0.638 415 G C -0.408 174.280 174.900 -0.353 0.000 1.344 415 G CA 0.014 44.871 45.100 -0.406 0.000 0.855 415 G HN 1.251 nan 8.290 nan 0.000 0.537 416 S N -1.329 114.260 115.700 -0.184 0.000 2.550 416 S HA 0.617 5.065 4.470 -0.037 0.000 0.270 416 S C -0.072 174.522 174.600 -0.011 0.000 1.145 416 S CA 0.338 58.472 58.200 -0.110 0.000 0.852 416 S CB 1.752 64.846 63.200 -0.177 0.000 1.119 416 S HN 0.596 nan 8.310 nan 0.000 0.465 417 D N 2.196 122.581 120.400 -0.024 0.000 2.350 417 D HA 0.141 4.759 4.640 -0.037 0.000 0.213 417 D C 0.332 176.615 176.300 -0.029 0.000 1.031 417 D CA 0.567 54.592 54.000 0.041 0.000 0.861 417 D CB 0.024 40.863 40.800 0.065 0.000 0.926 417 D HN 0.610 nan 8.370 nan 0.000 0.520 418 N N -0.384 118.142 118.700 -0.291 0.000 2.197 418 N HA 0.247 4.965 4.740 -0.037 0.000 0.228 418 N C -0.282 174.559 175.510 -1.114 0.000 1.212 418 N CA 0.003 52.676 53.050 -0.628 0.000 0.883 418 N CB 1.627 40.016 38.487 -0.163 0.000 1.107 418 N HN 0.010 nan 8.380 nan 0.000 0.519 419 I N 0.066 120.138 120.570 -0.830 0.000 2.569 419 I HA 0.319 4.467 4.170 -0.037 0.000 0.290 419 I C -0.667 175.436 176.117 -0.023 0.000 1.088 419 I CA -0.748 60.328 61.300 -0.375 0.000 1.047 419 I CB 2.224 40.209 38.000 -0.025 0.000 1.237 419 I HN -0.135 nan 8.210 nan 0.000 0.421 420 S N 4.012 119.798 115.700 0.143 0.000 2.578 420 S HA 0.322 4.770 4.470 -0.037 0.000 0.283 420 S C -0.476 174.051 174.600 -0.121 0.000 1.195 420 S CA -0.515 57.787 58.200 0.171 0.000 1.050 420 S CB 1.606 64.999 63.200 0.321 0.000 1.012 420 S HN 0.577 nan 8.310 nan 0.000 0.511 421 Q N 2.062 121.559 119.800 -0.505 0.000 2.256 421 Q HA 0.414 4.732 4.340 -0.037 0.000 0.254 421 Q C -0.168 175.611 176.000 -0.370 0.000 0.916 421 Q CA -0.331 54.998 55.803 -0.790 0.000 0.932 421 Q CB 0.527 28.427 28.738 -1.396 0.000 1.207 421 Q HN 0.726 nan 8.270 nan 0.000 0.426 422 L N 2.079 123.105 121.223 -0.328 0.000 2.609 422 L HA 0.559 4.877 4.340 -0.037 0.000 0.230 422 L C 0.303 177.027 176.870 -0.243 0.000 1.064 422 L CA 0.061 54.748 54.840 -0.256 0.000 0.873 422 L CB 0.714 42.538 42.059 -0.391 0.000 1.139 422 L HN 0.630 nan 8.230 nan 0.000 0.490 423 A N -0.914 121.736 122.820 -0.283 0.000 2.581 423 A HA 0.657 4.955 4.320 -0.037 0.000 0.290 423 A C -2.758 174.753 177.584 -0.121 0.000 1.119 423 A CA -1.054 50.885 52.037 -0.163 0.000 0.670 423 A CB 0.439 19.337 19.000 -0.171 0.000 1.280 423 A HN -0.239 nan 8.150 nan 0.000 0.425 424 P HA 0.288 nan 4.420 nan 0.000 0.260 424 P C 0.973 178.285 177.300 0.020 0.000 1.207 424 P CA 2.380 65.479 63.100 -0.002 0.000 0.780 424 P CB 0.279 31.989 31.700 0.018 0.000 0.789 425 G N 2.400 111.242 108.800 0.069 0.000 2.184 425 G HA2 -0.274 3.664 3.960 -0.037 0.000 0.264 425 G HA3 -0.274 3.664 3.960 -0.037 0.000 0.264 425 G C -0.177 174.772 174.900 0.081 0.000 0.975 425 G CA -0.191 44.977 45.100 0.114 0.000 0.642 425 G HN 0.552 nan 8.290 nan 0.000 0.536 426 L N 1.570 122.776 121.223 -0.028 0.000 2.282 426 L HA 0.815 5.133 4.340 -0.037 0.000 0.288 426 L C 0.630 177.409 176.870 -0.151 0.000 1.033 426 L CA 0.230 54.985 54.840 -0.142 0.000 0.807 426 L CB 1.312 43.164 42.059 -0.345 0.000 1.209 426 L HN 0.438 nan 8.230 nan 0.000 0.423 427 G N 3.171 111.931 108.800 -0.067 0.000 2.600 427 G HA2 0.825 4.763 3.960 -0.037 0.000 0.303 427 G HA3 0.825 4.763 3.960 -0.037 0.000 0.303 427 G C -1.834 173.046 174.900 -0.032 0.000 1.253 427 G CA -0.351 44.752 45.100 0.005 0.000 0.974 427 G HN 0.930 nan 8.290 nan 0.000 0.483 428 A N 0.911 123.761 122.820 0.050 0.000 2.446 428 A HA 0.780 5.078 4.320 -0.037 0.000 0.282 428 A C -2.942 174.774 177.584 0.220 0.000 1.102 428 A CA -1.264 50.850 52.037 0.128 0.000 0.737 428 A CB 1.783 20.866 19.000 0.139 0.000 1.212 428 A HN 0.401 nan 8.150 nan 0.000 0.434 429 P HA 0.225 nan 4.420 nan 0.000 0.267 429 P C -0.432 177.163 177.300 0.491 0.000 1.200 429 P CA 0.160 63.409 63.100 0.247 0.000 0.772 429 P CB 0.201 32.078 31.700 0.295 0.000 0.855 430 F N 3.080 123.196 119.950 0.277 0.000 2.471 430 F HA 0.234 4.740 4.527 -0.035 0.000 0.353 430 F C 1.543 177.390 175.800 0.078 0.000 1.113 430 F CA 0.447 58.550 58.000 0.171 0.000 1.262 430 F CB -0.417 38.675 39.000 0.154 0.000 1.146 430 F HN 0.478 nan 8.300 nan 0.000 0.578 431 H N 0.165 119.165 119.070 -0.116 0.000 2.948 431 H HA 0.496 5.030 4.556 -0.036 0.000 0.315 431 H C -1.812 173.259 175.328 -0.428 0.000 1.360 431 H CA -1.105 54.677 56.048 -0.444 0.000 1.125 431 H CB 1.358 30.541 29.762 -0.966 0.000 1.844 431 H HN 0.587 nan 8.280 nan 0.000 0.529 432 Q N 0.177 119.686 119.800 -0.486 0.000 2.433 432 Q HA 0.369 4.687 4.340 -0.037 0.000 0.279 432 Q C -0.969 174.724 176.000 -0.512 0.000 1.105 432 Q CA -0.945 54.596 55.803 -0.438 0.000 0.815 432 Q CB 2.754 31.294 28.738 -0.330 0.000 1.403 432 Q HN 0.565 nan 8.270 nan 0.000 0.435 433 H N 1.670 120.558 119.070 -0.304 0.000 2.675 433 H HA 0.375 4.909 4.556 -0.037 0.000 0.258 433 H C -0.835 174.200 175.328 -0.488 0.000 1.271 433 H CA -0.192 55.637 56.048 -0.366 0.000 1.462 433 H CB 0.457 30.122 29.762 -0.161 0.000 1.467 433 H HN 0.430 nan 8.280 nan 0.000 0.501 434 I N 3.418 123.700 120.570 -0.479 0.000 2.331 434 I HA 0.184 4.332 4.170 -0.037 0.000 0.292 434 I C -0.315 175.469 176.117 -0.555 0.000 0.998 434 I CA -0.408 60.649 61.300 -0.405 0.000 1.267 434 I CB 0.611 38.429 38.000 -0.304 0.000 1.386 434 I HN 0.185 nan 8.210 nan 0.000 0.476 435 F N 3.534 123.210 119.950 -0.457 0.000 2.483 435 F HA 0.516 5.021 4.527 -0.037 0.000 0.329 435 F C 0.557 176.134 175.800 -0.373 0.000 1.064 435 F CA -0.708 56.964 58.000 -0.547 0.000 0.986 435 F CB 1.801 40.133 39.000 -1.113 0.000 1.218 435 F HN 0.258 nan 8.300 nan 0.000 0.484 436 S N 1.406 117.136 115.700 0.050 0.000 2.756 436 S HA 0.780 5.228 4.470 -0.037 0.000 0.303 436 S C -0.906 173.794 174.600 0.167 0.000 1.135 436 S CA -0.526 57.744 58.200 0.116 0.000 1.066 436 S CB 0.442 63.556 63.200 -0.144 0.000 1.008 436 S HN 0.839 nan 8.310 nan 0.000 0.482 437 A N 4.572 127.546 122.820 0.257 0.000 2.301 437 A HA 0.683 4.980 4.320 -0.037 0.000 0.298 437 A C 0.104 177.731 177.584 0.071 0.000 1.185 437 A CA -0.709 51.445 52.037 0.194 0.000 0.830 437 A CB 0.518 19.621 19.000 0.171 0.000 1.112 437 A HN 0.848 nan 8.150 nan 0.000 0.508 438 R N 3.278 123.750 120.500 -0.047 0.000 2.275 438 R HA 0.447 4.765 4.340 -0.037 0.000 0.326 438 R C -1.636 174.482 176.300 -0.304 0.000 0.973 438 R CA -0.628 55.243 56.100 -0.382 0.000 0.854 438 R CB 0.391 30.364 30.300 -0.545 0.000 1.156 438 R HN 0.506 nan 8.270 nan 0.000 0.487 439 L N 4.411 125.449 121.223 -0.307 0.000 2.272 439 L HA 0.240 4.558 4.340 -0.037 0.000 0.284 439 L C -0.281 176.454 176.870 -0.225 0.000 1.045 439 L CA -0.514 54.209 54.840 -0.196 0.000 0.842 439 L CB 0.896 42.892 42.059 -0.105 0.000 1.224 439 L HN 0.569 nan 8.230 nan 0.000 0.430 440 D N 4.484 124.766 120.400 -0.198 0.000 2.402 440 D HA 0.138 4.756 4.640 -0.037 0.000 0.235 440 D C 0.014 176.245 176.300 -0.115 0.000 1.226 440 D CA -0.272 53.650 54.000 -0.129 0.000 0.918 440 D CB 0.499 41.247 40.800 -0.086 0.000 1.043 440 D HN 0.146 nan 8.370 nan 0.000 0.506 441 M N 2.464 122.007 119.600 -0.096 0.000 2.228 441 M HA 0.339 4.797 4.480 -0.037 0.000 0.351 441 M C 0.298 176.478 176.300 -0.201 0.000 1.233 441 M CA -0.430 54.795 55.300 -0.124 0.000 1.129 441 M CB 0.745 33.301 32.600 -0.073 0.000 1.604 441 M HN 0.452 nan 8.290 nan 0.000 0.457 442 A N 4.757 127.391 122.820 -0.310 0.000 3.365 442 A HA 0.404 4.702 4.320 -0.037 0.000 0.258 442 A C -0.225 177.170 177.584 -0.315 0.000 0.964 442 A CA -0.533 51.192 52.037 -0.519 0.000 0.988 442 A CB 0.128 18.648 19.000 -0.799 0.000 1.193 442 A HN 0.654 nan 8.150 nan 0.000 0.508 443 I N 1.646 122.108 120.570 -0.179 0.000 2.573 443 I HA 0.044 4.192 4.170 -0.037 0.000 0.295 443 I C 0.297 176.436 176.117 0.036 0.000 1.141 443 I CA 0.779 62.050 61.300 -0.048 0.000 1.364 443 I CB -1.010 37.011 38.000 0.036 0.000 1.447 443 I HN 0.494 nan 8.210 nan 0.000 0.571 444 D N 4.977 125.424 120.400 0.079 0.000 2.772 444 D HA -0.145 4.473 4.640 -0.037 0.000 0.233 444 D C 0.609 176.880 176.300 -0.049 0.000 1.143 444 D CA 1.664 55.685 54.000 0.036 0.000 0.700 444 D CB -0.697 40.116 40.800 0.022 0.000 1.076 444 D HN 1.104 nan 8.370 nan 0.000 0.430 445 G N -2.024 106.684 108.800 -0.153 0.000 2.384 445 G HA2 -0.075 3.863 3.960 -0.037 0.000 0.668 445 G HA3 -0.075 3.863 3.960 -0.037 0.000 0.668 445 G C 0.134 174.856 174.900 -0.297 0.000 1.280 445 G CA -0.415 44.571 45.100 -0.191 0.000 0.992 445 G HN 0.086 nan 8.290 nan 0.000 0.512 446 F N 0.813 120.750 119.950 -0.021 0.000 2.773 446 F HA 0.275 4.780 4.527 -0.037 0.000 0.304 446 F C 1.866 177.660 175.800 -0.010 0.000 1.129 446 F CA 0.874 58.855 58.000 -0.031 0.000 1.378 446 F CB 0.712 39.679 39.000 -0.055 0.000 1.095 446 F HN 0.277 nan 8.300 nan 0.000 0.565 447 T N 1.592 116.219 114.554 0.121 0.000 3.005 447 T HA 0.257 4.585 4.350 -0.037 0.000 0.323 447 T C -0.185 174.553 174.700 0.063 0.000 1.131 447 T CA -0.391 61.763 62.100 0.090 0.000 0.977 447 T CB -0.226 68.683 68.868 0.068 0.000 1.055 447 T HN -0.037 nan 8.240 nan 0.000 0.562 448 N N 2.582 121.323 118.700 0.069 0.000 2.453 448 N HA 0.683 5.401 4.740 -0.037 0.000 0.290 448 N C -0.314 175.237 175.510 0.069 0.000 1.250 448 N CA -1.034 52.050 53.050 0.058 0.000 0.815 448 N CB 1.907 40.419 38.487 0.040 0.000 1.381 448 N HN 0.582 nan 8.380 nan 0.000 0.510 449 R N -1.310 119.233 120.500 0.070 0.000 2.710 449 R HA 0.677 4.995 4.340 -0.037 0.000 0.270 449 R C -2.024 174.329 176.300 0.088 0.000 1.021 449 R CA -0.715 55.431 56.100 0.078 0.000 0.889 449 R CB 0.661 31.003 30.300 0.070 0.000 1.243 449 R HN 0.223 nan 8.270 nan 0.000 0.464 450 V N 1.655 121.629 119.914 0.100 0.000 2.448 450 V HA 0.403 4.500 4.120 -0.037 0.000 0.295 450 V C -0.475 175.705 176.094 0.143 0.000 1.025 450 V CA -0.653 61.724 62.300 0.128 0.000 0.859 450 V CB 1.624 33.525 31.823 0.129 0.000 0.988 450 V HN 0.744 nan 8.190 nan 0.000 0.431 451 E N 2.861 123.152 120.200 0.152 0.000 2.199 451 E HA 0.430 4.758 4.350 -0.037 0.000 0.269 451 E C -0.829 175.859 176.600 0.148 0.000 0.899 451 E CA -0.617 55.858 56.400 0.125 0.000 0.772 451 E CB 2.772 32.516 29.700 0.074 0.000 1.155 451 E HN 0.728 nan 8.360 nan 0.000 0.408 452 E N 2.900 123.167 120.200 0.112 0.000 2.115 452 E HA 0.083 4.411 4.350 -0.037 0.000 0.282 452 E C -1.020 175.496 176.600 -0.140 0.000 0.987 452 E CA -0.309 56.070 56.400 -0.035 0.000 0.797 452 E CB 0.936 30.683 29.700 0.078 0.000 1.086 452 E HN 0.394 nan 8.360 nan 0.000 0.397 453 E N 4.222 124.266 120.200 -0.259 0.000 2.134 453 E HA 0.169 4.497 4.350 -0.037 0.000 0.278 453 E C -1.223 175.254 176.600 -0.206 0.000 0.959 453 E CA -0.743 55.549 56.400 -0.181 0.000 0.783 453 E CB 0.918 30.535 29.700 -0.138 0.000 1.095 453 E HN 0.420 nan 8.360 nan 0.000 0.399 454 D N 2.542 122.867 120.400 -0.124 0.000 2.350 454 D HA 0.263 4.881 4.640 -0.037 0.000 0.245 454 D C -0.769 175.502 176.300 -0.049 0.000 1.036 454 D CA -0.539 53.401 54.000 -0.101 0.000 0.848 454 D CB 2.179 42.933 40.800 -0.076 0.000 1.307 454 D HN 0.146 nan 8.370 nan 0.000 0.469 455 V N 1.744 121.632 119.914 -0.043 0.000 2.530 455 V HA 0.257 4.355 4.120 -0.037 0.000 0.282 455 V C 0.300 176.398 176.094 0.006 0.000 1.048 455 V CA -0.439 61.858 62.300 -0.004 0.000 0.997 455 V CB 1.343 33.141 31.823 -0.043 0.000 0.987 455 V HN 0.389 nan 8.190 nan 0.000 0.477 456 V N 5.893 125.836 119.914 0.049 0.000 2.459 456 V HA 0.654 4.752 4.120 -0.037 0.000 0.295 456 V C -0.111 176.029 176.094 0.076 0.000 1.029 456 V CA -0.844 61.482 62.300 0.043 0.000 0.874 456 V CB 1.633 33.478 31.823 0.036 0.000 0.985 456 V HN 0.868 nan 8.190 nan 0.000 0.438 457 R N 4.340 124.868 120.500 0.047 0.000 2.428 457 R HA 0.557 4.875 4.340 -0.037 0.000 0.294 457 R C -0.675 175.660 176.300 0.058 0.000 1.000 457 R CA -0.514 55.621 56.100 0.059 0.000 0.960 457 R CB 1.524 31.836 30.300 0.020 0.000 1.076 457 R HN 0.804 nan 8.270 nan 0.000 0.475 458 Q N 0.907 120.752 119.800 0.074 0.000 2.309 458 Q HA 0.258 4.576 4.340 -0.037 0.000 0.264 458 Q C -0.442 175.582 176.000 0.040 0.000 1.008 458 Q CA -0.806 55.027 55.803 0.051 0.000 0.853 458 Q CB 2.383 31.151 28.738 0.050 0.000 1.314 458 Q HN 0.606 nan 8.270 nan 0.000 0.448 459 T N -1.031 113.538 114.554 0.026 0.000 2.889 459 T HA 0.392 4.720 4.350 -0.037 0.000 0.291 459 T C 0.193 174.904 174.700 0.019 0.000 0.995 459 T CA -0.767 61.345 62.100 0.020 0.000 1.092 459 T CB 0.757 69.633 68.868 0.014 0.000 0.954 459 T HN 0.588 nan 8.240 nan 0.000 0.506 460 M N 2.805 122.416 119.600 0.017 0.000 2.238 460 M HA 0.462 4.920 4.480 -0.037 0.000 0.350 460 M C 0.373 176.679 176.300 0.010 0.000 1.321 460 M CA 0.778 56.087 55.300 0.014 0.000 1.097 460 M CB -0.565 32.043 32.600 0.014 0.000 1.713 460 M HN 1.109 nan 8.290 nan 0.000 0.455 461 G N 4.317 113.122 108.800 0.008 0.000 2.427 461 G HA2 0.327 4.265 3.960 -0.037 0.000 0.306 461 G HA3 0.327 4.265 3.960 -0.037 0.000 0.306 461 G C -2.941 171.961 174.900 0.003 0.000 1.280 461 G CA -0.806 44.298 45.100 0.005 0.000 0.837 461 G HN 0.396 nan 8.290 nan 0.000 0.482 462 P HA 0.001 nan 4.420 nan 0.000 0.216 462 P C 1.336 178.636 177.300 -0.001 0.000 1.167 462 P CA 1.760 64.861 63.100 0.001 0.000 0.914 462 P CB -0.111 31.589 31.700 0.001 0.000 0.793 463 G N 0.735 109.535 108.800 -0.001 0.000 2.367 463 G HA2 0.021 3.959 3.960 -0.037 0.000 0.280 463 G HA3 0.021 3.959 3.960 -0.037 0.000 0.280 463 G C -0.097 174.801 174.900 -0.004 0.000 1.175 463 G CA -0.314 44.784 45.100 -0.003 0.000 1.001 463 G HN 0.187 nan 8.290 nan 0.000 0.437 464 N N 1.422 120.118 118.700 -0.007 0.000 2.691 464 N HA -0.145 4.573 4.740 -0.037 0.000 0.277 464 N C -0.455 175.051 175.510 -0.007 0.000 1.029 464 N CA 1.251 54.295 53.050 -0.010 0.000 0.798 464 N CB -0.179 38.298 38.487 -0.017 0.000 0.922 464 N HN 0.598 nan 8.380 nan 0.000 0.562 465 E N 0.542 120.741 120.200 -0.002 0.000 2.281 465 E HA 0.251 4.579 4.350 -0.037 0.000 0.266 465 E C 0.464 177.067 176.600 0.005 0.000 0.893 465 E CA -0.351 56.051 56.400 0.003 0.000 0.798 465 E CB 1.243 30.947 29.700 0.007 0.000 1.245 465 E HN 0.280 nan 8.360 nan 0.000 0.410 466 R N 0.617 121.121 120.500 0.007 0.000 2.535 466 R HA 0.227 4.544 4.340 -0.037 0.000 0.323 466 R C 0.855 177.165 176.300 0.016 0.000 0.979 466 R CA 0.299 56.405 56.100 0.009 0.000 1.120 466 R CB 0.998 31.302 30.300 0.007 0.000 1.306 466 R HN 0.720 nan 8.270 nan 0.000 0.540 467 G N 2.472 111.284 108.800 0.019 0.000 2.179 467 G HA2 -0.376 3.562 3.960 -0.037 0.000 0.257 467 G HA3 -0.376 3.562 3.960 -0.037 0.000 0.257 467 G C 0.354 175.282 174.900 0.046 0.000 1.010 467 G CA 1.034 46.152 45.100 0.029 0.000 0.736 467 G HN 0.662 nan 8.290 nan 0.000 0.513 468 N N -0.857 117.870 118.700 0.046 0.000 2.348 468 N HA 0.534 5.252 4.740 -0.037 0.000 0.183 468 N C 1.221 176.792 175.510 0.100 0.000 1.094 468 N CA 0.696 53.790 53.050 0.073 0.000 0.885 468 N CB 0.318 38.832 38.487 0.045 0.000 1.065 468 N HN 0.837 nan 8.380 nan 0.000 0.472 469 A N 0.613 123.461 122.820 0.046 0.000 2.425 469 A HA 0.469 4.767 4.320 -0.037 0.000 0.249 469 A C -0.614 177.040 177.584 0.115 0.000 1.084 469 A CA -0.258 51.775 52.037 -0.008 0.000 0.781 469 A CB -0.283 18.695 19.000 -0.037 0.000 1.019 469 A HN 0.493 nan 8.150 nan 0.000 0.490 470 F N -0.081 119.864 119.950 -0.008 0.000 2.641 470 F HA 0.783 5.288 4.527 -0.037 0.000 0.308 470 F C -0.316 175.477 175.800 -0.011 0.000 1.105 470 F CA -0.597 57.397 58.000 -0.010 0.000 0.964 470 F CB 0.923 39.916 39.000 -0.011 0.000 1.294 470 F HN 0.527 nan 8.300 nan 0.000 0.442 471 S N 0.686 116.510 115.700 0.206 0.000 2.921 471 S HA 0.908 5.356 4.470 -0.037 0.000 0.315 471 S C -1.399 173.285 174.600 0.141 0.000 1.087 471 S CA -0.993 57.265 58.200 0.096 0.000 0.877 471 S CB 1.419 64.637 63.200 0.031 0.000 1.340 471 S HN 0.941 nan 8.310 nan 0.000 0.622 472 R N 0.676 121.216 120.500 0.066 0.000 2.626 472 R HA 0.662 4.980 4.340 -0.037 0.000 0.274 472 R C -1.440 174.870 176.300 0.016 0.000 1.031 472 R CA -0.977 55.149 56.100 0.044 0.000 0.898 472 R CB 1.401 31.725 30.300 0.041 0.000 1.222 472 R HN 0.431 nan 8.270 nan 0.000 0.455 473 K N 1.649 122.050 120.400 0.001 0.000 2.267 473 K HA 0.537 4.835 4.320 -0.037 0.000 0.246 473 K C -0.960 175.632 176.600 -0.014 0.000 0.954 473 K CA -1.082 55.203 56.287 -0.003 0.000 0.824 473 K CB 1.681 34.180 32.500 -0.003 0.000 1.167 473 K HN 0.692 nan 8.250 nan 0.000 0.431 474 R N 1.752 122.250 120.500 -0.005 0.000 2.500 474 R HA 0.185 4.503 4.340 -0.037 0.000 0.299 474 R C -1.135 175.174 176.300 0.014 0.000 1.038 474 R CA -0.677 55.422 56.100 -0.002 0.000 0.903 474 R CB 1.922 32.225 30.300 0.005 0.000 1.177 474 R HN 0.766 nan 8.270 nan 0.000 0.455 475 T N -0.879 113.688 114.554 0.021 0.000 2.795 475 T HA 0.424 4.752 4.350 -0.037 0.000 0.282 475 T C 0.329 175.063 174.700 0.057 0.000 0.980 475 T CA -0.652 61.470 62.100 0.036 0.000 1.012 475 T CB 1.440 70.330 68.868 0.038 0.000 0.936 475 T HN 0.100 nan 8.240 nan 0.000 0.457 476 V N 4.902 124.849 119.914 0.055 0.000 2.530 476 V HA 0.275 4.373 4.120 -0.037 0.000 0.282 476 V C 0.535 176.674 176.094 0.074 0.000 1.048 476 V CA -0.801 61.539 62.300 0.067 0.000 0.997 476 V CB 0.672 32.528 31.823 0.056 0.000 0.987 476 V HN 0.817 nan 8.190 nan 0.000 0.477 477 L N 5.274 126.551 121.223 0.091 0.000 2.283 477 L HA 0.259 4.577 4.340 -0.037 0.000 0.287 477 L C 1.499 178.415 176.870 0.078 0.000 1.073 477 L CA -0.107 54.786 54.840 0.089 0.000 0.822 477 L CB 1.018 43.141 42.059 0.106 0.000 1.186 477 L HN 0.948 nan 8.230 nan 0.000 0.436 478 T N -0.056 114.538 114.554 0.066 0.000 3.010 478 T HA 0.149 4.477 4.350 -0.037 0.000 0.252 478 T C 0.989 175.727 174.700 0.064 0.000 1.047 478 T CA 0.089 62.226 62.100 0.061 0.000 1.140 478 T CB 0.279 69.177 68.868 0.051 0.000 0.885 478 T HN 0.434 nan 8.240 nan 0.000 0.464 479 R N 0.573 121.111 120.500 0.063 0.000 2.854 479 R HA 0.481 4.799 4.340 -0.037 0.000 0.271 479 R C 0.661 177.007 176.300 0.077 0.000 0.996 479 R CA -0.712 55.428 56.100 0.066 0.000 0.961 479 R CB 1.582 31.915 30.300 0.055 0.000 1.182 479 R HN 0.161 nan 8.270 nan 0.000 0.479 480 E N 0.666 120.920 120.200 0.089 0.000 2.118 480 E HA -0.211 4.117 4.350 -0.037 0.000 0.195 480 E C 1.607 178.264 176.600 0.095 0.000 0.992 480 E CA 2.060 58.527 56.400 0.111 0.000 0.804 480 E CB 0.037 29.814 29.700 0.128 0.000 0.741 480 E HN 0.624 nan 8.360 nan 0.000 0.458 481 S N 1.130 116.873 115.700 0.072 0.000 2.442 481 S HA -0.182 4.265 4.470 -0.037 0.000 0.236 481 S C 1.552 176.169 174.600 0.028 0.000 1.007 481 S CA 1.349 59.580 58.200 0.052 0.000 0.965 481 S CB -0.328 62.898 63.200 0.043 0.000 0.773 481 S HN 0.456 nan 8.310 nan 0.000 0.504 482 E N 0.247 120.468 120.200 0.034 0.000 2.558 482 E HA 0.542 4.870 4.350 -0.037 0.000 0.205 482 E C 0.749 177.363 176.600 0.023 0.000 1.006 482 E CA 0.142 56.555 56.400 0.022 0.000 0.961 482 E CB 0.398 30.118 29.700 0.033 0.000 1.044 482 E HN 0.489 nan 8.360 nan 0.000 0.465 483 A N 1.026 123.862 122.820 0.026 0.000 2.610 483 A HA 0.319 4.617 4.320 -0.037 0.000 0.286 483 A C 0.147 177.694 177.584 -0.060 0.000 1.306 483 A CA -0.284 51.771 52.037 0.029 0.000 0.942 483 A CB 0.232 19.289 19.000 0.094 0.000 1.112 483 A HN 0.119 nan 8.150 nan 0.000 0.527 484 V N 2.466 122.275 119.914 -0.174 0.000 2.293 484 V HA 0.410 4.508 4.120 -0.037 0.000 0.275 484 V C -0.449 175.445 176.094 -0.334 0.000 1.021 484 V CA -0.787 61.227 62.300 -0.476 0.000 0.815 484 V CB 0.441 31.893 31.823 -0.617 0.000 1.025 484 V HN 0.451 nan 8.190 nan 0.000 0.448 485 R N 2.814 123.134 120.500 -0.301 0.000 2.787 485 R HA 0.719 5.037 4.340 -0.037 0.000 0.271 485 R C -0.338 175.930 176.300 -0.052 0.000 0.993 485 R CA -0.720 55.329 56.100 -0.085 0.000 0.993 485 R CB 1.794 32.157 30.300 0.106 0.000 1.155 485 R HN 0.641 nan 8.270 nan 0.000 0.486 486 E N 0.238 120.501 120.200 0.104 0.000 2.235 486 E HA 0.597 4.925 4.350 -0.037 0.000 0.265 486 E C -0.620 176.174 176.600 0.323 0.000 0.940 486 E CA -0.946 55.536 56.400 0.137 0.000 0.819 486 E CB 2.130 31.873 29.700 0.071 0.000 1.206 486 E HN 0.634 nan 8.360 nan 0.000 0.409 487 A N 1.246 124.251 122.820 0.309 0.000 2.287 487 A HA 0.333 4.631 4.320 -0.037 0.000 0.273 487 A C -0.366 177.315 177.584 0.162 0.000 1.091 487 A CA -0.080 52.166 52.037 0.350 0.000 0.817 487 A CB 0.499 19.700 19.000 0.335 0.000 1.069 487 A HN 0.586 nan 8.150 nan 0.000 0.492 488 D N -0.533 119.914 120.400 0.079 0.000 2.584 488 D HA 0.402 5.020 4.640 -0.037 0.000 0.238 488 D C 0.656 176.952 176.300 -0.005 0.000 1.302 488 D CA 0.282 54.297 54.000 0.025 0.000 0.884 488 D CB 0.612 41.410 40.800 -0.004 0.000 1.456 488 D HN 0.480 nan 8.370 nan 0.000 0.528 489 A N 2.922 125.756 122.820 0.022 0.000 1.908 489 A HA -0.208 4.090 4.320 -0.037 0.000 0.218 489 A C 2.041 179.616 177.584 -0.014 0.000 1.181 489 A CA 1.296 53.340 52.037 0.012 0.000 0.627 489 A CB -0.185 18.835 19.000 0.032 0.000 0.818 489 A HN 0.545 nan 8.150 nan 0.000 0.445 490 R N -0.499 119.993 120.500 -0.014 0.000 2.119 490 R HA -0.135 4.182 4.340 -0.037 0.000 0.246 490 R C 1.936 178.210 176.300 -0.044 0.000 1.146 490 R CA 1.907 57.991 56.100 -0.026 0.000 0.962 490 R CB -0.883 29.406 30.300 -0.019 0.000 0.863 490 R HN 0.700 nan 8.270 nan 0.000 0.442 491 T N -2.618 111.908 114.554 -0.047 0.000 3.163 491 T HA 0.236 4.564 4.350 -0.037 0.000 0.252 491 T C 1.109 175.761 174.700 -0.079 0.000 1.056 491 T CA 0.181 62.244 62.100 -0.062 0.000 0.947 491 T CB 0.626 69.460 68.868 -0.057 0.000 1.016 491 T HN 0.426 nan 8.240 nan 0.000 0.554 492 G N 2.399 111.155 108.800 -0.073 0.000 2.321 492 G HA2 -0.358 3.580 3.960 -0.037 0.000 0.287 492 G HA3 -0.358 3.580 3.960 -0.037 0.000 0.287 492 G C 0.071 174.892 174.900 -0.131 0.000 1.018 492 G CA 0.263 45.319 45.100 -0.073 0.000 0.855 492 G HN 0.915 nan 8.290 nan 0.000 0.507 493 R N 0.603 120.987 120.500 -0.194 0.000 2.502 493 R HA 0.381 4.699 4.340 -0.037 0.000 0.292 493 R C 0.804 176.738 176.300 -0.611 0.000 0.998 493 R CA 1.107 56.970 56.100 -0.394 0.000 1.056 493 R CB 0.144 30.195 30.300 -0.415 0.000 0.939 493 R HN 0.486 nan 8.270 nan 0.000 0.411 494 T N 0.918 115.032 114.554 -0.732 0.000 2.865 494 T HA 0.522 4.850 4.350 -0.037 0.000 0.294 494 T C -1.009 173.202 174.700 -0.815 0.000 1.119 494 T CA -0.969 60.714 62.100 -0.695 0.000 1.007 494 T CB 1.239 69.881 68.868 -0.375 0.000 1.225 494 T HN 0.561 nan 8.240 nan 0.000 0.515 495 W N 0.820 122.067 121.300 -0.088 0.000 2.683 495 W HA 0.592 5.230 4.660 -0.037 0.000 0.329 495 W C -1.230 175.262 176.519 -0.046 0.000 1.037 495 W CA -1.134 56.181 57.345 -0.050 0.000 1.232 495 W CB 1.633 31.071 29.460 -0.036 0.000 1.390 495 W HN 0.554 nan 8.180 nan 0.000 0.465 496 I N 4.060 124.724 120.570 0.156 0.000 2.339 496 I HA 0.252 4.400 4.170 -0.037 0.000 0.290 496 I C -0.210 175.988 176.117 0.135 0.000 0.994 496 I CA -0.705 60.662 61.300 0.112 0.000 1.191 496 I CB 1.102 39.138 38.000 0.061 0.000 1.343 496 I HN 0.088 nan 8.210 nan 0.000 0.458 497 I N 6.511 127.163 120.570 0.137 0.000 2.307 497 I HA 0.314 4.462 4.170 -0.037 0.000 0.289 497 I C 0.358 176.547 176.117 0.120 0.000 1.021 497 I CA 0.297 61.667 61.300 0.115 0.000 1.224 497 I CB 0.924 38.977 38.000 0.089 0.000 1.376 497 I HN 0.606 nan 8.210 nan 0.000 0.470 498 S N 4.175 119.936 115.700 0.101 0.000 2.715 498 S HA 0.599 5.047 4.470 -0.037 0.000 0.307 498 S C -0.679 173.968 174.600 0.080 0.000 1.119 498 S CA -0.919 57.343 58.200 0.103 0.000 0.937 498 S CB 1.973 65.226 63.200 0.088 0.000 1.150 498 S HN 0.483 nan 8.310 nan 0.000 0.521 499 N N 1.036 119.781 118.700 0.075 0.000 2.518 499 N HA 0.450 5.168 4.740 -0.037 0.000 0.254 499 N C -2.376 173.156 175.510 0.037 0.000 0.979 499 N CA -2.230 50.850 53.050 0.051 0.000 0.930 499 N CB 1.579 40.092 38.487 0.044 0.000 1.152 499 N HN 0.256 nan 8.380 nan 0.000 0.505 500 P HA -0.007 nan 4.420 nan 0.000 0.222 500 P C 0.056 177.367 177.300 0.018 0.000 1.147 500 P CA 1.158 64.275 63.100 0.028 0.000 0.790 500 P CB 0.440 32.159 31.700 0.033 0.000 0.780 501 E N -1.494 118.716 120.200 0.016 0.000 2.474 501 E HA 0.144 4.472 4.350 -0.037 0.000 0.195 501 E C 0.118 176.715 176.600 -0.005 0.000 1.039 501 E CA 0.017 56.422 56.400 0.008 0.000 0.881 501 E CB 0.268 29.977 29.700 0.015 0.000 0.970 501 E HN -0.033 nan 8.360 nan 0.000 0.486 502 S N 1.092 116.785 115.700 -0.013 0.000 2.756 502 S HA 0.324 4.772 4.470 -0.037 0.000 0.303 502 S C -0.935 173.634 174.600 -0.053 0.000 1.135 502 S CA -0.731 57.445 58.200 -0.041 0.000 1.066 502 S CB 0.435 63.603 63.200 -0.054 0.000 1.008 502 S HN -0.037 nan 8.310 nan 0.000 0.482 503 K N 2.771 123.136 120.400 -0.057 0.000 2.208 503 K HA 0.472 4.770 4.320 -0.037 0.000 0.247 503 K C -0.135 176.415 176.600 -0.082 0.000 0.953 503 K CA -1.053 55.200 56.287 -0.056 0.000 0.837 503 K CB 0.910 33.390 32.500 -0.033 0.000 1.131 503 K HN 0.729 nan 8.250 nan 0.000 0.431 504 N N 0.262 118.917 118.700 -0.075 0.000 2.413 504 N HA 0.062 4.780 4.740 -0.037 0.000 0.266 504 N C 0.600 176.081 175.510 -0.049 0.000 1.238 504 N CA -0.622 52.380 53.050 -0.081 0.000 0.972 504 N CB 0.350 38.795 38.487 -0.069 0.000 1.210 504 N HN 0.576 nan 8.380 nan 0.000 0.547 505 R N -0.505 119.971 120.500 -0.040 0.000 2.303 505 R HA -0.014 4.304 4.340 -0.037 0.000 0.225 505 R C 0.483 176.772 176.300 -0.019 0.000 1.114 505 R CA 1.146 57.230 56.100 -0.026 0.000 1.007 505 R CB -0.726 29.562 30.300 -0.019 0.000 0.861 505 R HN 0.579 nan 8.270 nan 0.000 0.471 506 L N 0.746 121.958 121.223 -0.018 0.000 2.628 506 L HA 0.144 4.462 4.340 -0.037 0.000 0.229 506 L C 0.339 177.201 176.870 -0.013 0.000 1.137 506 L CA -0.072 54.760 54.840 -0.013 0.000 0.909 506 L CB -0.500 41.553 42.059 -0.010 0.000 1.137 506 L HN 0.428 nan 8.230 nan 0.000 0.470 507 N N 1.669 120.359 118.700 -0.017 0.000 2.780 507 N HA -0.162 4.556 4.740 -0.037 0.000 0.248 507 N C -0.421 175.082 175.510 -0.011 0.000 1.102 507 N CA 0.373 53.414 53.050 -0.015 0.000 0.697 507 N CB -0.249 38.232 38.487 -0.011 0.000 1.028 507 N HN 0.535 nan 8.380 nan 0.000 0.554 508 E N 0.071 120.263 120.200 -0.013 0.000 2.238 508 E HA 0.407 4.735 4.350 -0.037 0.000 0.267 508 E C -2.655 173.941 176.600 -0.007 0.000 0.887 508 E CA -1.938 54.458 56.400 -0.005 0.000 0.769 508 E CB 1.598 31.298 29.700 -0.001 0.000 1.187 508 E HN 0.076 nan 8.360 nan 0.000 0.416 509 P HA -0.082 nan 4.420 nan 0.000 0.262 509 P C -0.352 176.961 177.300 0.022 0.000 1.182 509 P CA -0.044 63.064 63.100 0.012 0.000 0.761 509 P CB 0.277 31.993 31.700 0.027 0.000 0.795 510 V N 1.946 121.867 119.914 0.012 0.000 2.811 510 V HA 0.756 4.854 4.120 -0.037 0.000 0.302 510 V C 0.577 176.774 176.094 0.171 0.000 1.063 510 V CA 0.193 62.520 62.300 0.046 0.000 1.088 510 V CB 0.434 32.204 31.823 -0.089 0.000 0.982 510 V HN 0.721 nan 8.190 nan 0.000 0.485 511 G N 2.213 111.166 108.800 0.255 0.000 2.649 511 G HA2 0.608 4.546 3.960 -0.037 0.000 0.290 511 G HA3 0.608 4.546 3.960 -0.037 0.000 0.290 511 G C -2.342 172.717 174.900 0.265 0.000 1.426 511 G CA -0.730 44.518 45.100 0.247 0.000 0.794 511 G HN 0.731 nan 8.290 nan 0.000 0.483 512 Y N 0.023 120.348 120.300 0.042 0.000 2.421 512 Y HA 0.574 5.102 4.550 -0.037 0.000 0.339 512 Y C 0.157 176.077 175.900 0.034 0.000 0.996 512 Y CA -0.798 57.310 58.100 0.014 0.000 1.046 512 Y CB 2.680 41.110 38.460 -0.050 0.000 1.226 512 Y HN 0.541 nan 8.280 nan 0.000 0.445 513 K N 3.737 124.180 120.400 0.073 0.000 2.156 513 K HA 0.566 4.864 4.320 -0.037 0.000 0.271 513 K C -1.625 174.974 176.600 -0.002 0.000 0.995 513 K CA -0.826 55.456 56.287 -0.007 0.000 0.890 513 K CB 0.965 33.390 32.500 -0.125 0.000 1.073 513 K HN 0.596 nan 8.250 nan 0.000 0.454 514 L N 4.926 126.137 121.223 -0.021 0.000 2.265 514 L HA 0.314 4.632 4.340 -0.037 0.000 0.289 514 L C -1.480 175.353 176.870 -0.061 0.000 1.033 514 L CA -0.083 54.789 54.840 0.053 0.000 0.814 514 L CB 0.612 42.736 42.059 0.108 0.000 1.203 514 L HN 0.671 nan 8.230 nan 0.000 0.423 515 H N 4.450 123.630 119.070 0.184 0.000 2.581 515 H HA 0.723 5.257 4.556 -0.037 0.000 0.308 515 H C -0.039 175.429 175.328 0.234 0.000 1.040 515 H CA -0.034 56.118 56.048 0.174 0.000 1.231 515 H CB 1.260 31.109 29.762 0.145 0.000 1.396 515 H HN 0.869 nan 8.280 nan 0.000 0.467 516 A N 2.294 125.320 122.820 0.344 0.000 2.279 516 A HA 0.210 4.508 4.320 -0.037 0.000 0.303 516 A C 0.489 178.352 177.584 0.465 0.000 1.108 516 A CA -0.565 51.713 52.037 0.402 0.000 0.830 516 A CB 0.531 19.811 19.000 0.466 0.000 1.106 516 A HN 1.013 nan 8.150 nan 0.000 0.493 517 H N 0.725 119.963 119.070 0.279 0.000 2.502 517 H HA -0.037 4.497 4.556 -0.037 0.000 0.283 517 H C -0.016 175.416 175.328 0.174 0.000 1.015 517 H CA 0.531 56.694 56.048 0.192 0.000 1.298 517 H CB 0.206 30.071 29.762 0.170 0.000 1.411 517 H HN 0.781 nan 8.280 nan 0.000 0.556 518 N N 1.202 120.109 118.700 0.345 0.000 2.818 518 N HA -0.156 4.561 4.740 -0.037 0.000 0.250 518 N C -0.655 174.969 175.510 0.191 0.000 1.108 518 N CA 0.488 53.688 53.050 0.249 0.000 0.745 518 N CB -1.017 37.579 38.487 0.181 0.000 1.104 518 N HN 0.490 nan 8.380 nan 0.000 0.557 519 Q N 0.249 120.173 119.800 0.208 0.000 2.417 519 Q HA 0.300 4.618 4.340 -0.037 0.000 0.241 519 Q C -1.882 174.180 176.000 0.103 0.000 1.008 519 Q CA -0.898 54.988 55.803 0.139 0.000 0.901 519 Q CB 0.035 28.859 28.738 0.143 0.000 1.259 519 Q HN 0.136 nan 8.270 nan 0.000 0.489 520 P HA -0.025 nan 4.420 nan 0.000 0.266 520 P C -0.120 177.187 177.300 0.011 0.000 1.195 520 P CA 0.242 63.362 63.100 0.033 0.000 0.768 520 P CB 0.426 32.133 31.700 0.011 0.000 0.838 521 T N 0.250 114.809 114.554 0.009 0.000 2.865 521 T HA 0.265 4.593 4.350 -0.037 0.000 0.302 521 T C 0.352 175.012 174.700 -0.068 0.000 1.078 521 T CA -0.907 61.179 62.100 -0.023 0.000 0.942 521 T CB 0.051 68.918 68.868 -0.002 0.000 1.387 521 T HN 0.196 nan 8.240 nan 0.000 0.557 522 L N 1.050 122.208 121.223 -0.108 0.000 2.700 522 L HA 0.086 4.404 4.340 -0.037 0.000 0.276 522 L C 0.908 177.732 176.870 -0.077 0.000 1.200 522 L CA 0.370 55.133 54.840 -0.129 0.000 0.951 522 L CB -0.448 41.512 42.059 -0.165 0.000 1.226 522 L HN 0.630 nan 8.230 nan 0.000 0.489 523 L N 5.087 126.267 121.223 -0.072 0.000 2.446 523 L HA 0.187 4.505 4.340 -0.037 0.000 0.219 523 L C 1.450 178.312 176.870 -0.013 0.000 1.116 523 L CA 0.192 55.013 54.840 -0.032 0.000 0.844 523 L CB -0.533 41.512 42.059 -0.023 0.000 0.970 523 L HN 0.833 nan 8.230 nan 0.000 0.457 524 A N 0.591 123.396 122.820 -0.024 0.000 2.507 524 A HA -0.089 4.209 4.320 -0.037 0.000 0.235 524 A C 0.301 177.888 177.584 0.005 0.000 1.070 524 A CA -0.126 51.910 52.037 -0.001 0.000 0.768 524 A CB -0.035 18.962 19.000 -0.004 0.000 1.011 524 A HN 0.252 nan 8.150 nan 0.000 0.502 525 D N 1.619 122.031 120.400 0.020 0.000 2.488 525 D HA 0.036 4.654 4.640 -0.037 0.000 0.238 525 D C -1.476 174.831 176.300 0.012 0.000 1.138 525 D CA -0.941 53.071 54.000 0.019 0.000 0.873 525 D CB 0.820 41.637 40.800 0.028 0.000 1.183 525 D HN 0.159 nan 8.370 nan 0.000 0.458 526 P HA -0.042 nan 4.420 nan 0.000 0.221 526 P C 0.939 178.241 177.300 0.004 0.000 1.145 526 P CA 0.966 64.067 63.100 0.003 0.000 0.795 526 P CB 0.196 31.898 31.700 0.003 0.000 0.775 527 G N -1.096 107.710 108.800 0.009 0.000 3.042 527 G HA2 0.023 3.961 3.960 -0.037 0.000 0.212 527 G HA3 0.023 3.961 3.960 -0.037 0.000 0.212 527 G C 0.463 175.371 174.900 0.013 0.000 1.166 527 G CA 0.075 45.180 45.100 0.008 0.000 0.767 527 G HN 0.364 nan 8.290 nan 0.000 0.546 528 S N -0.447 115.265 115.700 0.021 0.000 2.600 528 S HA 0.272 4.720 4.470 -0.037 0.000 0.265 528 S C 1.635 176.249 174.600 0.022 0.000 1.325 528 S CA 0.501 58.725 58.200 0.040 0.000 1.002 528 S CB 1.588 64.821 63.200 0.056 0.000 0.921 528 S HN 0.090 nan 8.310 nan 0.000 0.554 529 S N 0.563 116.284 115.700 0.036 0.000 2.356 529 S HA -0.142 4.306 4.470 -0.037 0.000 0.223 529 S C 1.723 176.307 174.600 -0.028 0.000 1.032 529 S CA 1.170 59.343 58.200 -0.045 0.000 1.005 529 S CB -0.848 62.258 63.200 -0.157 0.000 0.867 529 S HN 0.713 nan 8.310 nan 0.000 0.449 530 I N 2.120 122.717 120.570 0.046 0.000 2.361 530 I HA -0.020 4.128 4.170 -0.037 0.000 0.251 530 I C 2.298 178.429 176.117 0.024 0.000 1.133 530 I CA 1.251 62.594 61.300 0.073 0.000 1.413 530 I CB -0.897 37.156 38.000 0.087 0.000 1.073 530 I HN 0.342 nan 8.210 nan 0.000 0.424 531 A N 0.335 123.154 122.820 -0.001 0.000 1.933 531 A HA -0.192 4.106 4.320 -0.037 0.000 0.218 531 A C 2.458 180.025 177.584 -0.027 0.000 1.175 531 A CA 1.608 53.630 52.037 -0.024 0.000 0.628 531 A CB -0.534 18.458 19.000 -0.014 0.000 0.814 531 A HN 0.459 nan 8.150 nan 0.000 0.444 532 R N -0.770 119.710 120.500 -0.033 0.000 2.057 532 R HA -0.008 4.310 4.340 -0.037 0.000 0.229 532 R C 2.392 178.649 176.300 -0.071 0.000 1.136 532 R CA 1.326 57.391 56.100 -0.058 0.000 0.952 532 R CB -0.312 29.938 30.300 -0.084 0.000 0.848 532 R HN 0.458 nan 8.270 nan 0.000 0.430 533 R N 0.312 120.776 120.500 -0.059 0.000 2.152 533 R HA -0.002 4.316 4.340 -0.037 0.000 0.232 533 R C 0.791 177.154 176.300 0.103 0.000 1.117 533 R CA 1.180 57.245 56.100 -0.059 0.000 0.981 533 R CB 0.108 30.370 30.300 -0.063 0.000 0.870 533 R HN 0.099 nan 8.270 nan 0.000 0.451 534 A N 0.101 123.006 122.820 0.142 0.000 3.214 534 A HA 0.537 4.835 4.320 -0.037 0.000 0.304 534 A C 0.903 178.394 177.584 -0.155 0.000 0.969 534 A CA -0.202 51.909 52.037 0.123 0.000 0.986 534 A CB 0.500 19.532 19.000 0.053 0.000 1.073 534 A HN 0.220 nan 8.150 nan 0.000 0.487 535 A N 0.179 122.971 122.820 -0.048 0.000 2.015 535 A HA 0.057 4.355 4.320 -0.037 0.000 0.219 535 A C 1.698 179.289 177.584 0.011 0.000 1.163 535 A CA 1.574 53.595 52.037 -0.028 0.000 0.646 535 A CB -0.886 18.120 19.000 0.010 0.000 0.806 535 A HN 1.385 nan 8.150 nan 0.000 0.448 536 F N -0.326 119.529 119.950 -0.158 0.000 2.269 536 F HA 0.060 4.564 4.527 -0.037 0.000 0.301 536 F C 1.987 177.868 175.800 0.136 0.000 1.082 536 F CA 0.706 58.561 58.000 -0.242 0.000 1.360 536 F CB -0.808 37.902 39.000 -0.484 0.000 1.041 536 F HN 0.141 nan 8.300 nan 0.000 0.512 537 A N 0.640 122.839 122.820 -1.035 0.000 2.168 537 A HA -0.044 4.254 4.320 -0.037 0.000 0.215 537 A C 2.149 179.598 177.584 -0.224 0.000 1.152 537 A CA 1.420 53.014 52.037 -0.738 0.000 0.716 537 A CB -1.468 16.996 19.000 -0.894 0.000 0.794 537 A HN 0.564 nan 8.150 nan 0.000 0.465 538 T N -3.342 111.171 114.554 -0.068 0.000 3.113 538 T HA 0.182 4.510 4.350 -0.037 0.000 0.256 538 T C 0.557 175.273 174.700 0.027 0.000 1.131 538 T CA 0.225 62.323 62.100 -0.003 0.000 1.074 538 T CB 0.046 68.925 68.868 0.018 0.000 0.944 538 T HN 0.126 nan 8.240 nan 0.000 0.516 539 K N 1.006 121.470 120.400 0.107 0.000 2.469 539 K HA 0.383 4.681 4.320 -0.037 0.000 0.254 539 K C -0.515 176.137 176.600 0.085 0.000 0.939 539 K CA -0.508 55.760 56.287 -0.032 0.000 0.812 539 K CB 2.161 34.379 32.500 -0.470 0.000 1.301 539 K HN -0.054 nan 8.250 nan 0.000 0.433 540 D N 0.328 120.743 120.400 0.026 0.000 2.183 540 D HA -0.028 4.590 4.640 -0.037 0.000 0.203 540 D C 0.007 176.365 176.300 0.096 0.000 0.969 540 D CA 0.871 54.935 54.000 0.106 0.000 0.842 540 D CB 0.280 41.178 40.800 0.165 0.000 0.957 540 D HN 0.131 nan 8.370 nan 0.000 0.484 541 L N -0.549 120.593 121.223 -0.134 0.000 2.482 541 L HA 0.471 4.789 4.340 -0.037 0.000 0.263 541 L C -2.063 174.721 176.870 -0.143 0.000 0.957 541 L CA -0.611 54.132 54.840 -0.162 0.000 0.836 541 L CB 1.533 43.116 42.059 -0.794 0.000 1.324 541 L HN -0.129 nan 8.230 nan 0.000 0.406 542 W N 4.040 125.352 121.300 0.020 0.000 3.022 542 W HA 0.763 5.400 4.660 -0.037 0.000 0.335 542 W C -1.281 175.371 176.519 0.221 0.000 1.133 542 W CA -0.829 56.570 57.345 0.089 0.000 1.219 542 W CB 2.007 31.506 29.460 0.066 0.000 1.409 542 W HN 0.202 nan 8.180 nan 0.000 0.507 543 V N 2.536 122.692 119.914 0.404 0.000 2.588 543 V HA 0.784 4.882 4.120 -0.037 0.000 0.304 543 V C -0.090 176.223 176.094 0.364 0.000 1.042 543 V CA -0.808 61.698 62.300 0.345 0.000 0.877 543 V CB 1.543 33.475 31.823 0.182 0.000 0.996 543 V HN 0.580 nan 8.190 nan 0.000 0.425 544 T N 1.455 116.257 114.554 0.412 0.000 2.906 544 T HA 0.739 5.067 4.350 -0.037 0.000 0.295 544 T C -0.538 174.309 174.700 0.245 0.000 1.075 544 T CA -0.966 61.340 62.100 0.343 0.000 1.005 544 T CB 2.120 71.258 68.868 0.451 0.000 1.136 544 T HN 0.524 nan 8.240 nan 0.000 0.498 545 R N 1.042 121.649 120.500 0.178 0.000 2.438 545 R HA 0.349 4.667 4.340 -0.037 0.000 0.287 545 R C -0.779 175.602 176.300 0.136 0.000 1.077 545 R CA -0.841 55.346 56.100 0.144 0.000 1.034 545 R CB -0.518 29.842 30.300 0.100 0.000 0.993 545 R HN 0.770 nan 8.270 nan 0.000 0.459 546 Y N 3.027 123.348 120.300 0.035 0.000 2.683 546 Y HA 0.291 4.819 4.550 -0.037 0.000 0.340 546 Y C -0.663 175.212 175.900 -0.041 0.000 1.245 546 Y CA 0.989 59.086 58.100 -0.005 0.000 1.485 546 Y CB 0.525 38.974 38.460 -0.018 0.000 1.328 546 Y HN 0.746 nan 8.280 nan 0.000 0.603 547 A N 5.269 127.451 122.820 -1.064 0.000 2.513 547 A HA 0.248 4.545 4.320 -0.037 0.000 0.296 547 A C 0.090 177.050 177.584 -1.042 0.000 1.052 547 A CA -0.450 51.091 52.037 -0.826 0.000 0.714 547 A CB 0.802 19.533 19.000 -0.449 0.000 1.279 547 A HN 0.836 nan 8.150 nan 0.000 0.397 548 D N 1.298 121.291 120.400 -0.679 0.000 2.182 548 D HA -0.172 4.446 4.640 -0.037 0.000 0.201 548 D C 0.614 176.740 176.300 -0.289 0.000 0.986 548 D CA 1.855 55.632 54.000 -0.372 0.000 0.847 548 D CB 0.210 40.926 40.800 -0.140 0.000 0.942 548 D HN 0.802 nan 8.370 nan 0.000 0.467 549 D N 0.391 120.615 120.400 -0.293 0.000 2.349 549 D HA -0.047 4.571 4.640 -0.037 0.000 0.214 549 D C 0.136 176.249 176.300 -0.310 0.000 1.063 549 D CA 0.079 53.941 54.000 -0.231 0.000 0.847 549 D CB -0.197 40.511 40.800 -0.154 0.000 0.933 549 D HN 0.163 nan 8.370 nan 0.000 0.513 550 E N 1.035 120.969 120.200 -0.443 0.000 2.282 550 E HA 0.254 4.582 4.350 -0.037 0.000 0.247 550 E C 0.613 177.074 176.600 -0.232 0.000 1.113 550 E CA -0.254 55.794 56.400 -0.587 0.000 1.095 550 E CB 0.793 29.960 29.700 -0.889 0.000 1.328 550 E HN 0.152 nan 8.360 nan 0.000 0.463 551 R N 0.419 120.747 120.500 -0.286 0.000 2.156 551 R HA 0.072 4.390 4.340 -0.037 0.000 0.207 551 R C -0.048 175.962 176.300 -0.482 0.000 1.040 551 R CA 0.806 56.606 56.100 -0.501 0.000 1.013 551 R CB 0.409 30.125 30.300 -0.974 0.000 0.931 551 R HN 0.233 nan 8.270 nan 0.000 0.465 552 Y N -1.178 119.243 120.300 0.202 0.000 2.499 552 Y HA 0.316 4.844 4.550 -0.036 0.000 0.347 552 Y C -1.909 173.927 175.900 -0.108 0.000 0.987 552 Y CA -3.301 54.859 58.100 0.100 0.000 1.044 552 Y CB 1.160 39.591 38.460 -0.048 0.000 1.245 552 Y HN -0.217 nan 8.280 nan 0.000 0.461 553 P HA -0.152 nan 4.420 nan 0.000 0.218 553 P C 1.105 178.095 177.300 -0.517 0.000 1.148 553 P CA 2.379 65.071 63.100 -0.679 0.000 0.822 553 P CB 0.225 31.345 31.700 -0.966 0.000 0.784 554 T N -5.935 108.449 114.554 -0.283 0.000 3.023 554 T HA 0.501 4.829 4.350 -0.037 0.000 0.249 554 T C 0.942 175.569 174.700 -0.121 0.000 1.050 554 T CA 0.374 62.365 62.100 -0.181 0.000 1.088 554 T CB -0.029 68.769 68.868 -0.116 0.000 0.946 554 T HN 0.286 nan 8.240 nan 0.000 0.480 555 G N 0.619 109.412 108.800 -0.012 0.000 2.343 555 G HA2 -0.003 3.935 3.960 -0.037 0.000 0.465 555 G HA3 -0.003 3.935 3.960 -0.037 0.000 0.465 555 G C -0.657 174.280 174.900 0.062 0.000 1.282 555 G CA -0.030 45.117 45.100 0.079 0.000 0.996 555 G HN 0.050 nan 8.290 nan 0.000 0.521 556 D N -0.657 119.705 120.400 -0.063 0.000 2.234 556 D HA 0.061 4.679 4.640 -0.037 0.000 0.205 556 D C 0.349 176.071 176.300 -0.964 0.000 0.962 556 D CA 1.426 55.148 54.000 -0.463 0.000 0.855 556 D CB 0.152 40.548 40.800 -0.673 0.000 0.951 556 D HN 0.173 nan 8.370 nan 0.000 0.500 557 F N 0.360 120.228 119.950 -0.136 0.000 2.552 557 F HA 0.187 4.692 4.527 -0.037 0.000 0.369 557 F C 1.005 176.717 175.800 -0.146 0.000 1.112 557 F CA -0.630 57.248 58.000 -0.204 0.000 1.129 557 F CB 1.340 40.153 39.000 -0.313 0.000 1.360 557 F HN -0.366 nan 8.300 nan 0.000 0.473 558 V N -0.131 119.735 119.914 -0.081 0.000 2.591 558 V HA -0.143 3.955 4.120 -0.037 0.000 0.249 558 V C 1.186 177.170 176.094 -0.182 0.000 1.053 558 V CA 0.562 62.746 62.300 -0.194 0.000 1.068 558 V CB -0.556 31.053 31.823 -0.356 0.000 0.689 558 V HN 0.656 nan 8.190 nan 0.000 0.462 559 N N 1.434 120.078 118.700 -0.093 0.000 2.411 559 N HA -0.060 4.658 4.740 -0.037 0.000 0.265 559 N C 0.595 176.075 175.510 -0.050 0.000 1.266 559 N CA 0.688 53.694 53.050 -0.072 0.000 0.889 559 N CB -0.174 38.277 38.487 -0.060 0.000 1.069 559 N HN 0.452 nan 8.380 nan 0.000 0.476 560 Q N 0.042 119.808 119.800 -0.057 0.000 2.437 560 Q HA -0.324 3.994 4.340 -0.037 0.000 0.274 560 Q C -0.675 175.316 176.000 -0.014 0.000 1.165 560 Q CA 0.999 56.773 55.803 -0.048 0.000 0.925 560 Q CB -1.698 27.014 28.738 -0.043 0.000 1.327 560 Q HN 0.723 nan 8.270 nan 0.000 0.505 561 H N -0.091 118.886 119.070 -0.155 0.000 2.457 561 H HA 0.414 4.948 4.556 -0.037 0.000 0.335 561 H C 0.176 175.406 175.328 -0.162 0.000 1.115 561 H CA -0.130 55.833 56.048 -0.141 0.000 1.219 561 H CB 1.068 30.759 29.762 -0.118 0.000 1.471 561 H HN 0.250 nan 8.280 nan 0.000 0.491 562 S N 2.993 118.453 115.700 -0.399 0.000 2.579 562 S HA 0.280 4.728 4.470 -0.037 0.000 0.275 562 S C 0.760 174.930 174.600 -0.716 0.000 1.345 562 S CA -0.374 57.563 58.200 -0.437 0.000 1.031 562 S CB 1.414 64.463 63.200 -0.252 0.000 0.892 562 S HN 0.726 nan 8.310 nan 0.000 0.529 563 G N -0.681 107.869 108.800 -0.416 0.000 2.547 563 G HA2 0.577 4.515 3.960 -0.037 0.000 0.291 563 G HA3 0.577 4.515 3.960 -0.037 0.000 0.291 563 G C 0.846 175.591 174.900 -0.259 0.000 1.211 563 G CA -0.426 44.467 45.100 -0.345 0.000 0.950 563 G HN 1.847 nan 8.290 nan 0.000 0.504 564 G N -1.135 107.537 108.800 -0.213 0.000 2.491 564 G HA2 0.042 3.980 3.960 -0.037 0.000 0.203 564 G HA3 0.042 3.980 3.960 -0.037 0.000 0.203 564 G C 1.630 176.410 174.900 -0.200 0.000 1.052 564 G CA 0.959 45.956 45.100 -0.172 0.000 0.675 564 G HN 1.746 nan 8.290 nan 0.000 0.504 565 A N 1.056 123.777 122.820 -0.165 0.000 2.148 565 A HA 0.371 4.669 4.320 -0.037 0.000 0.222 565 A C 2.135 179.553 177.584 -0.276 0.000 1.161 565 A CA 2.489 54.470 52.037 -0.094 0.000 0.662 565 A CB -0.758 18.326 19.000 0.140 0.000 0.799 565 A HN 1.799 nan 8.150 nan 0.000 0.466 566 G N -1.310 107.212 108.800 -0.464 0.000 3.182 566 G HA2 0.337 4.275 3.960 -0.037 0.000 0.167 566 G HA3 0.337 4.275 3.960 -0.037 0.000 0.167 566 G C 1.082 175.107 174.900 -1.459 0.000 1.537 566 G CA 0.031 44.588 45.100 -0.905 0.000 1.046 566 G HN 0.189 nan 8.290 nan 0.000 0.580 567 L N 1.152 121.603 121.223 -1.287 0.000 2.034 567 L HA -0.140 4.178 4.340 -0.037 0.000 0.217 567 L C 0.006 176.487 176.870 -0.647 0.000 1.077 567 L CA 1.782 55.929 54.840 -1.156 0.000 0.769 567 L CB -1.082 40.040 42.059 -1.561 0.000 0.890 567 L HN 0.298 nan 8.230 nan 0.000 0.435 568 P HA -0.149 nan 4.420 nan 0.000 0.218 568 P C 1.749 178.990 177.300 -0.099 0.000 1.149 568 P CA 1.719 64.755 63.100 -0.108 0.000 0.817 568 P CB 0.005 31.663 31.700 -0.070 0.000 0.785 569 S N -2.355 113.215 115.700 -0.216 0.000 2.388 569 S HA -0.139 4.308 4.470 -0.037 0.000 0.223 569 S C 1.890 176.526 174.600 0.061 0.000 1.034 569 S CA 0.647 58.800 58.200 -0.080 0.000 0.963 569 S CB -1.564 61.587 63.200 -0.080 0.000 0.827 569 S HN -0.024 nan 8.310 nan 0.000 0.481 570 Y N 1.538 121.788 120.300 -0.083 0.000 2.128 570 Y HA 0.040 4.568 4.550 -0.037 0.000 0.284 570 Y C 2.374 178.269 175.900 -0.007 0.000 1.154 570 Y CA -0.245 57.816 58.100 -0.064 0.000 1.149 570 Y CB -1.384 37.001 38.460 -0.125 0.000 0.976 570 Y HN 0.244 nan 8.280 nan 0.000 0.505 571 I N 0.265 120.941 120.570 0.176 0.000 2.335 571 I HA -0.268 3.880 4.170 -0.037 0.000 0.251 571 I C 2.401 178.590 176.117 0.120 0.000 1.129 571 I CA 1.321 62.721 61.300 0.167 0.000 1.402 571 I CB -0.794 37.341 38.000 0.226 0.000 1.069 571 I HN 0.139 nan 8.210 nan 0.000 0.424 572 A N -0.664 122.212 122.820 0.094 0.000 2.131 572 A HA -0.259 4.039 4.320 -0.037 0.000 0.220 572 A C 2.138 179.760 177.584 0.063 0.000 1.158 572 A CA 1.456 53.534 52.037 0.068 0.000 0.665 572 A CB -0.625 18.405 19.000 0.050 0.000 0.795 572 A HN 0.603 nan 8.150 nan 0.000 0.460 573 Q N -1.406 118.438 119.800 0.073 0.000 2.291 573 Q HA -0.110 4.208 4.340 -0.037 0.000 0.205 573 Q C 0.249 176.282 176.000 0.056 0.000 0.970 573 Q CA 0.554 56.392 55.803 0.058 0.000 0.876 573 Q CB -0.108 28.664 28.738 0.056 0.000 0.935 573 Q HN 0.598 nan 8.270 nan 0.000 0.455 574 D N 0.708 121.148 120.400 0.067 0.000 2.708 574 D HA -0.166 4.452 4.640 -0.037 0.000 0.236 574 D C -0.906 175.430 176.300 0.060 0.000 1.146 574 D CA 0.570 54.608 54.000 0.064 0.000 0.662 574 D CB -0.595 40.236 40.800 0.051 0.000 1.059 574 D HN 0.230 nan 8.370 nan 0.000 0.428 575 R N 0.343 120.883 120.500 0.067 0.000 2.738 575 R HA 0.269 4.587 4.340 -0.037 0.000 0.268 575 R C 0.271 176.611 176.300 0.068 0.000 1.062 575 R CA -0.267 55.870 56.100 0.062 0.000 1.158 575 R CB 0.344 30.682 30.300 0.062 0.000 1.046 575 R HN 0.211 nan 8.270 nan 0.000 0.493 576 D N 1.719 122.155 120.400 0.060 0.000 2.371 576 D HA 0.054 4.672 4.640 -0.037 0.000 0.256 576 D C 0.622 176.965 176.300 0.073 0.000 1.193 576 D CA -0.092 53.945 54.000 0.061 0.000 0.881 576 D CB 0.534 41.364 40.800 0.051 0.000 1.143 576 D HN 0.531 nan 8.370 nan 0.000 0.473 577 I N -0.068 120.549 120.570 0.079 0.000 4.081 577 I HA 0.332 4.480 4.170 -0.037 0.000 0.333 577 I C 0.189 176.355 176.117 0.082 0.000 1.413 577 I CA -0.468 60.886 61.300 0.090 0.000 1.110 577 I CB 0.406 38.469 38.000 0.106 0.000 1.082 577 I HN 0.132 nan 8.210 nan 0.000 0.402 578 D N 3.109 123.551 120.400 0.070 0.000 2.453 578 D HA 0.339 4.957 4.640 -0.037 0.000 0.223 578 D C 1.017 177.353 176.300 0.060 0.000 1.183 578 D CA 0.520 54.558 54.000 0.064 0.000 0.933 578 D CB 0.270 41.103 40.800 0.055 0.000 1.038 578 D HN 0.544 nan 8.370 nan 0.000 0.513 579 G N 3.362 112.201 108.800 0.065 0.000 2.470 579 G HA2 -0.167 3.771 3.960 -0.037 0.000 0.286 579 G HA3 -0.167 3.771 3.960 -0.037 0.000 0.286 579 G C -0.215 174.727 174.900 0.070 0.000 1.115 579 G CA -0.292 44.846 45.100 0.063 0.000 1.122 579 G HN 0.489 nan 8.290 nan 0.000 0.522 580 Q N -0.739 119.111 119.800 0.083 0.000 2.831 580 Q HA 0.380 4.698 4.340 -0.037 0.000 0.322 580 Q C -0.999 175.075 176.000 0.123 0.000 0.923 580 Q CA -0.923 54.937 55.803 0.093 0.000 0.767 580 Q CB 0.805 29.596 28.738 0.088 0.000 1.469 580 Q HN 0.254 nan 8.270 nan 0.000 0.496 581 D N 1.841 122.318 120.400 0.129 0.000 2.359 581 D HA 0.315 4.932 4.640 -0.037 0.000 0.250 581 D C -0.420 175.984 176.300 0.173 0.000 1.264 581 D CA 0.062 54.159 54.000 0.162 0.000 0.911 581 D CB -0.413 40.426 40.800 0.065 0.000 1.056 581 D HN 0.415 nan 8.370 nan 0.000 0.499 582 I N 0.047 120.712 120.570 0.160 0.000 2.910 582 I HA 0.676 4.824 4.170 -0.037 0.000 0.310 582 I C -0.898 175.281 176.117 0.104 0.000 1.043 582 I CA -1.073 60.312 61.300 0.142 0.000 1.053 582 I CB 2.211 40.280 38.000 0.115 0.000 1.242 582 I HN -0.112 nan 8.210 nan 0.000 0.452 583 V N 3.993 123.962 119.914 0.091 0.000 2.588 583 V HA 0.430 4.528 4.120 -0.037 0.000 0.304 583 V C -0.228 175.806 176.094 -0.100 0.000 1.042 583 V CA -0.668 61.591 62.300 -0.068 0.000 0.877 583 V CB 1.845 33.587 31.823 -0.136 0.000 0.996 583 V HN 0.574 nan 8.190 nan 0.000 0.425 584 V N 3.783 123.576 119.914 -0.202 0.000 2.398 584 V HA 0.441 4.539 4.120 -0.037 0.000 0.286 584 V C -1.084 174.900 176.094 -0.183 0.000 1.026 584 V CA -0.511 61.737 62.300 -0.087 0.000 0.868 584 V CB 1.495 33.282 31.823 -0.060 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.443 585 W N 4.178 125.528 121.300 0.082 0.000 2.296 585 W HA 0.465 5.102 4.660 -0.037 0.000 0.316 585 W C 0.167 176.791 176.519 0.174 0.000 1.022 585 W CA -0.403 57.000 57.345 0.096 0.000 1.324 585 W CB 0.464 29.963 29.460 0.064 0.000 1.227 585 W HN 0.576 nan 8.180 nan 0.000 0.409 586 H N 2.327 121.493 119.070 0.161 0.000 2.488 586 H HA 0.404 4.939 4.556 -0.036 0.000 0.322 586 H C -0.565 174.942 175.328 0.299 0.000 1.078 586 H CA -0.284 55.819 56.048 0.091 0.000 1.260 586 H CB 1.209 30.832 29.762 -0.230 0.000 1.425 586 H HN 0.154 nan 8.280 nan 0.000 0.471 587 T N 7.117 121.652 114.554 -0.032 0.000 2.767 587 T HA 0.299 4.627 4.350 -0.037 0.000 0.284 587 T C -0.884 173.744 174.700 -0.119 0.000 0.973 587 T CA -0.472 61.643 62.100 0.026 0.000 0.996 587 T CB -0.102 68.877 68.868 0.185 0.000 0.927 587 T HN 0.466 nan 8.240 nan 0.000 0.456 588 F N 0.175 120.025 119.950 -0.167 0.000 2.588 588 F HA 0.853 5.358 4.527 -0.036 0.000 0.314 588 F C -0.241 175.647 175.800 0.147 0.000 1.134 588 F CA -1.126 56.841 58.000 -0.055 0.000 0.961 588 F CB 1.057 40.005 39.000 -0.087 0.000 1.239 588 F HN 0.739 nan 8.300 nan 0.000 0.448 589 G N 2.442 111.334 108.800 0.154 0.000 2.727 589 G HA2 0.679 4.617 3.960 -0.037 0.000 0.289 589 G HA3 0.679 4.617 3.960 -0.037 0.000 0.289 589 G C -2.414 172.525 174.900 0.064 0.000 1.418 589 G CA -1.195 43.959 45.100 0.091 0.000 0.818 589 G HN 0.815 nan 8.290 nan 0.000 0.486 590 L N 0.881 122.091 121.223 -0.022 0.000 2.325 590 L HA 0.437 4.755 4.340 -0.037 0.000 0.281 590 L C -0.216 176.463 176.870 -0.318 0.000 1.004 590 L CA -0.632 54.089 54.840 -0.198 0.000 0.823 590 L CB 2.314 44.163 42.059 -0.350 0.000 1.236 590 L HN 0.425 nan 8.230 nan 0.000 0.415 591 T N 1.338 115.685 114.554 -0.345 0.000 2.727 591 T HA 0.266 4.593 4.350 -0.037 0.000 0.298 591 T C -0.408 173.954 174.700 -0.564 0.000 0.942 591 T CA -0.122 61.707 62.100 -0.452 0.000 0.997 591 T CB -0.091 68.560 68.868 -0.361 0.000 0.917 591 T HN 0.381 nan 8.240 nan 0.000 0.487 592 H N 2.241 120.902 119.070 -0.683 0.000 2.595 592 H HA 0.329 4.864 4.556 -0.036 0.000 0.313 592 H C -0.885 174.030 175.328 -0.688 0.000 1.023 592 H CA -0.893 54.783 56.048 -0.621 0.000 1.218 592 H CB 0.524 29.930 29.762 -0.594 0.000 1.403 592 H HN 0.464 nan 8.280 nan 0.000 0.477 593 F N 5.241 125.121 119.950 -0.118 0.000 2.293 593 F HA 0.266 4.770 4.527 -0.038 0.000 0.370 593 F C -2.056 173.738 175.800 -0.009 0.000 1.090 593 F CA -2.761 55.079 58.000 -0.268 0.000 1.133 593 F CB 0.696 39.389 39.000 -0.513 0.000 1.360 593 F HN 0.423 nan 8.300 nan 0.000 0.489 594 P HA 0.039 nan 4.420 nan 0.000 0.264 594 P C -0.383 177.015 177.300 0.163 0.000 1.183 594 P CA 0.010 63.225 63.100 0.191 0.000 0.763 594 P CB 0.536 32.388 31.700 0.253 0.000 0.807 595 R N 1.635 122.191 120.500 0.094 0.000 2.902 595 R HA 0.420 4.738 4.340 -0.037 0.000 0.258 595 R C 0.450 176.792 176.300 0.070 0.000 1.071 595 R CA -0.808 55.334 56.100 0.071 0.000 1.024 595 R CB 0.230 30.560 30.300 0.050 0.000 1.184 595 R HN 0.067 nan 8.270 nan 0.000 0.492 596 V N 1.078 121.024 119.914 0.053 0.000 2.453 596 V HA -0.246 3.852 4.120 -0.037 0.000 0.252 596 V C 1.668 177.824 176.094 0.103 0.000 1.068 596 V CA 2.178 64.520 62.300 0.071 0.000 1.070 596 V CB -0.774 31.073 31.823 0.040 0.000 0.664 596 V HN 0.757 nan 8.190 nan 0.000 0.461 597 E N -0.093 120.146 120.200 0.065 0.000 2.409 597 E HA -0.141 4.187 4.350 -0.037 0.000 0.198 597 E C 1.691 178.317 176.600 0.043 0.000 1.024 597 E CA 0.776 57.204 56.400 0.046 0.000 0.861 597 E CB -0.223 29.489 29.700 0.020 0.000 0.788 597 E HN 0.607 nan 8.360 nan 0.000 0.521 598 D N -0.985 119.459 120.400 0.073 0.000 2.323 598 D HA -0.075 4.543 4.640 -0.037 0.000 0.209 598 D C -0.074 176.313 176.300 0.145 0.000 0.973 598 D CA 0.260 54.298 54.000 0.063 0.000 0.874 598 D CB 0.093 40.925 40.800 0.054 0.000 0.930 598 D HN 0.219 nan 8.370 nan 0.000 0.521 599 W N 2.579 123.867 121.300 -0.021 0.000 2.438 599 W HA 0.173 4.809 4.660 -0.039 0.000 0.324 599 W C -1.810 174.718 176.519 0.016 0.000 1.119 599 W CA -1.882 55.462 57.345 -0.001 0.000 1.221 599 W CB 1.971 31.434 29.460 0.004 0.000 1.253 599 W HN -0.164 nan 8.180 nan 0.000 0.555 600 P HA 0.072 nan 4.420 nan 0.000 0.239 600 P C -0.164 176.669 177.300 -0.779 0.000 1.188 600 P CA 0.549 62.704 63.100 -1.576 0.000 0.794 600 P CB 1.199 32.197 31.700 -1.171 0.000 0.937 601 I N 0.100 120.407 120.570 -0.438 0.000 2.447 601 I HA 0.335 4.483 4.170 -0.037 0.000 0.287 601 I C -0.400 175.557 176.117 -0.267 0.000 1.023 601 I CA -1.824 59.212 61.300 -0.440 0.000 1.083 601 I CB 1.731 39.284 38.000 -0.744 0.000 1.245 601 I HN -0.253 nan 8.210 nan 0.000 0.434 602 M N 10.468 129.942 119.600 -0.211 0.000 2.227 602 M HA 0.335 4.793 4.480 -0.037 0.000 0.349 602 M C -2.261 173.956 176.300 -0.137 0.000 1.443 602 M CA -1.440 53.776 55.300 -0.139 0.000 1.110 602 M CB 0.543 33.069 32.600 -0.124 0.000 1.773 602 M HN 0.377 nan 8.290 nan 0.000 0.463 603 P HA 0.091 nan 4.420 nan 0.000 0.274 603 P C -0.713 176.548 177.300 -0.065 0.000 1.231 603 P CA -0.410 62.641 63.100 -0.082 0.000 0.790 603 P CB 0.633 32.297 31.700 -0.060 0.000 0.951 604 V N 2.826 122.713 119.914 -0.046 0.000 2.644 604 V HA -0.065 4.033 4.120 -0.037 0.000 0.305 604 V C 0.806 176.891 176.094 -0.015 0.000 1.053 604 V CA 1.195 63.480 62.300 -0.025 0.000 1.186 604 V CB -0.438 31.379 31.823 -0.010 0.000 0.895 604 V HN 0.653 nan 8.190 nan 0.000 0.490 605 D N 2.442 122.845 120.400 0.005 0.000 2.419 605 D HA 0.725 5.343 4.640 -0.037 0.000 0.234 605 D C -0.262 176.040 176.300 0.004 0.000 1.014 605 D CA -0.180 53.847 54.000 0.046 0.000 0.919 605 D CB 2.367 43.278 40.800 0.185 0.000 1.366 605 D HN 0.728 nan 8.370 nan 0.000 0.490 606 T N -1.423 113.130 114.554 -0.003 0.000 2.901 606 T HA 0.819 5.147 4.350 -0.037 0.000 0.293 606 T C -0.428 174.279 174.700 0.012 0.000 1.084 606 T CA -0.639 61.435 62.100 -0.042 0.000 1.008 606 T CB 1.200 70.028 68.868 -0.067 0.000 1.170 606 T HN 0.298 nan 8.240 nan 0.000 0.509 607 V N -1.967 117.927 119.914 -0.033 0.000 3.226 607 V HA 1.046 5.143 4.120 -0.037 0.000 0.304 607 V C 0.405 176.382 176.094 -0.194 0.000 1.336 607 V CA -0.277 62.050 62.300 0.046 0.000 1.066 607 V CB 1.079 33.005 31.823 0.171 0.000 1.087 607 V HN 1.729 nan 8.190 nan 0.000 0.451 608 G N -0.017 108.497 108.800 -0.477 0.000 2.368 608 G HA2 0.665 4.603 3.960 -0.037 0.000 0.269 608 G HA3 0.665 4.603 3.960 -0.037 0.000 0.269 608 G C -1.648 172.711 174.900 -0.903 0.000 1.291 608 G CA 0.236 44.871 45.100 -0.775 0.000 0.903 608 G HN 2.211 nan 8.290 nan 0.000 0.483 609 F N -1.134 118.463 119.950 -0.588 0.000 2.807 609 F HA 0.863 5.368 4.527 -0.037 0.000 0.316 609 F C -1.062 174.727 175.800 -0.020 0.000 1.162 609 F CA -0.905 56.949 58.000 -0.243 0.000 0.910 609 F CB 1.451 40.334 39.000 -0.196 0.000 1.314 609 F HN 0.852 nan 8.300 nan 0.000 0.454 610 K N 1.124 121.701 120.400 0.294 0.000 2.532 610 K HA 0.825 5.123 4.320 -0.037 0.000 0.265 610 K C -2.417 174.430 176.600 0.412 0.000 0.948 610 K CA -0.992 55.451 56.287 0.261 0.000 0.842 610 K CB 2.801 35.420 32.500 0.199 0.000 1.392 610 K HN 0.798 nan 8.250 nan 0.000 0.436 611 L N 1.785 123.248 121.223 0.401 0.000 2.356 611 L HA 0.562 4.880 4.340 -0.037 0.000 0.277 611 L C -0.486 176.645 176.870 0.435 0.000 0.996 611 L CA -0.559 54.542 54.840 0.435 0.000 0.822 611 L CB 1.992 44.328 42.059 0.462 0.000 1.256 611 L HN 0.590 nan 8.230 nan 0.000 0.413 612 R N 3.212 123.889 120.500 0.296 0.000 2.670 612 R HA 0.531 4.849 4.340 -0.037 0.000 0.289 612 R C -2.567 173.519 176.300 -0.357 0.000 0.965 612 R CA -1.915 54.235 56.100 0.083 0.000 0.899 612 R CB 2.105 32.513 30.300 0.180 0.000 1.173 612 R HN 0.226 nan 8.270 nan 0.000 0.456 613 P HA -0.053 nan 4.420 nan 0.000 0.265 613 P C -0.973 176.150 177.300 -0.294 0.000 1.193 613 P CA 0.324 62.892 63.100 -0.887 0.000 0.765 613 P CB 0.627 32.163 31.700 -0.275 0.000 0.823 614 E N 2.616 122.705 120.200 -0.185 0.000 3.108 614 E HA 0.434 4.762 4.350 -0.037 0.000 0.228 614 E C 0.660 177.282 176.600 0.037 0.000 1.176 614 E CA -0.243 56.140 56.400 -0.027 0.000 0.881 614 E CB -0.813 28.882 29.700 -0.008 0.000 1.354 614 E HN 0.573 nan 8.360 nan 0.000 0.400 615 G N 2.852 111.687 108.800 0.057 0.000 2.136 615 G HA2 -0.369 3.569 3.960 -0.037 0.000 0.242 615 G HA3 -0.369 3.569 3.960 -0.037 0.000 0.242 615 G C 0.573 175.513 174.900 0.066 0.000 0.989 615 G CA 0.263 45.398 45.100 0.059 0.000 0.682 615 G HN 0.500 nan 8.290 nan 0.000 0.522 616 F N 0.624 120.521 119.950 -0.088 0.000 2.060 616 F HA 0.378 4.883 4.527 -0.036 0.000 0.295 616 F C 1.471 177.102 175.800 -0.281 0.000 1.120 616 F CA 1.002 58.874 58.000 -0.214 0.000 1.205 616 F CB -0.185 38.608 39.000 -0.346 0.000 0.986 616 F HN 0.111 nan 8.300 nan 0.000 0.470 617 F N 0.803 120.748 119.950 -0.009 0.000 2.370 617 F HA 0.178 4.683 4.527 -0.037 0.000 0.319 617 F C 1.637 177.387 175.800 -0.083 0.000 1.129 617 F CA -0.551 57.390 58.000 -0.098 0.000 1.109 617 F CB 0.102 39.070 39.000 -0.054 0.000 1.262 617 F HN -0.144 nan 8.300 nan 0.000 0.534 618 D N -0.015 120.462 120.400 0.127 0.000 2.317 618 D HA 0.013 4.631 4.640 -0.037 0.000 0.211 618 D C 0.579 176.909 176.300 0.050 0.000 0.966 618 D CA 0.797 54.827 54.000 0.051 0.000 0.876 618 D CB 0.276 41.090 40.800 0.022 0.000 0.927 618 D HN 0.544 nan 8.370 nan 0.000 0.519 619 R N -1.764 118.777 120.500 0.068 0.000 2.835 619 R HA 0.274 4.592 4.340 -0.037 0.000 0.271 619 R C -0.701 175.587 176.300 -0.019 0.000 1.013 619 R CA -0.745 55.366 56.100 0.019 0.000 0.876 619 R CB 0.539 30.840 30.300 0.001 0.000 1.348 619 R HN -0.203 nan 8.270 nan 0.000 0.453 620 S N 1.347 117.015 115.700 -0.053 0.000 2.575 620 S HA 0.073 4.521 4.470 -0.037 0.000 0.295 620 S C -1.216 173.275 174.600 -0.181 0.000 1.267 620 S CA -0.946 57.191 58.200 -0.107 0.000 1.074 620 S CB 0.476 63.639 63.200 -0.061 0.000 0.829 620 S HN 0.498 nan 8.310 nan 0.000 0.497 621 P HA 0.035 nan 4.420 nan 0.000 0.245 621 P C 0.659 177.841 177.300 -0.196 0.000 1.212 621 P CA 0.473 63.265 63.100 -0.513 0.000 0.774 621 P CB -0.198 30.681 31.700 -1.368 0.000 0.999 622 V N -4.274 115.574 119.914 -0.111 0.000 3.043 622 V HA 0.223 4.321 4.120 -0.037 0.000 0.357 622 V C 1.667 177.784 176.094 0.039 0.000 1.372 622 V CA -0.081 62.213 62.300 -0.010 0.000 1.214 622 V CB -0.882 30.956 31.823 0.025 0.000 1.224 622 V HN -0.117 nan 8.190 nan 0.000 0.507 623 L N 1.362 122.598 121.223 0.022 0.000 2.376 623 L HA 0.009 4.327 4.340 -0.037 0.000 0.219 623 L C 2.096 179.007 176.870 0.068 0.000 1.133 623 L CA 1.556 56.428 54.840 0.054 0.000 0.816 623 L CB -0.248 41.819 42.059 0.013 0.000 0.933 623 L HN 0.585 nan 8.230 nan 0.000 0.449 624 D N 0.006 120.431 120.400 0.042 0.000 2.349 624 D HA -0.011 4.607 4.640 -0.037 0.000 0.214 624 D C 0.685 177.002 176.300 0.027 0.000 1.063 624 D CA -0.036 53.985 54.000 0.034 0.000 0.847 624 D CB -0.520 40.290 40.800 0.016 0.000 0.933 624 D HN 0.119 nan 8.370 nan 0.000 0.513 625 V N -0.655 119.280 119.914 0.035 0.000 2.572 625 V HA 0.342 4.440 4.120 -0.037 0.000 0.291 625 V C -1.835 174.268 176.094 0.015 0.000 1.039 625 V CA -1.397 60.914 62.300 0.017 0.000 1.055 625 V CB 0.314 32.151 31.823 0.022 0.000 0.969 625 V HN -0.061 nan 8.190 nan 0.000 0.482 626 P HA 0.357 nan 4.420 nan 0.000 0.277 626 P C -0.358 176.928 177.300 -0.024 0.000 1.276 626 P CA -0.413 62.686 63.100 -0.002 0.000 0.788 626 P CB 1.072 32.771 31.700 -0.001 0.000 1.114 627 A N 0.715 123.520 122.820 -0.026 0.000 3.232 627 A HA 0.311 4.609 4.320 -0.037 0.000 0.312 627 A C 0.144 177.708 177.584 -0.032 0.000 1.185 627 A CA -0.569 51.439 52.037 -0.049 0.000 1.011 627 A CB -1.202 17.762 19.000 -0.060 0.000 1.096 627 A HN 0.620 nan 8.150 nan 0.000 0.543 628 N N 0.000 118.688 118.700 -0.021 0.000 1.763 628 N HA 0.000 4.718 4.740 -0.037 0.000 0.220 628 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 628 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667