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 2e2u_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 0.000 177.580 177.584 -0.006 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 9 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 10 S N 1.606 117.311 115.700 0.009 0.000 2.533 10 S HA 0.395 4.845 4.470 -0.034 0.000 0.282 10 S C -1.566 173.016 174.600 -0.030 0.000 1.304 10 S CA -0.556 57.661 58.200 0.028 0.000 1.063 10 S CB 0.866 64.122 63.200 0.093 0.000 0.881 10 S HN 0.176 nan 8.310 nan 0.000 0.493 11 P HA 0.071 nan 4.420 nan 0.000 0.234 11 P C -0.010 176.962 177.300 -0.547 0.000 1.167 11 P CA 0.787 63.676 63.100 -0.353 0.000 0.763 11 P CB 0.035 31.445 31.700 -0.483 0.000 0.835 12 F N -0.592 119.291 119.950 -0.112 0.000 2.664 12 F HA 0.176 4.682 4.527 -0.034 0.000 0.303 12 F C 1.413 177.149 175.800 -0.107 0.000 1.092 12 F CA -0.646 57.244 58.000 -0.183 0.000 1.305 12 F CB -0.306 38.579 39.000 -0.192 0.000 1.054 12 F HN -0.177 nan 8.300 nan 0.000 0.565 13 R N 0.742 121.276 120.500 0.056 0.000 2.784 13 R HA 0.245 4.565 4.340 -0.034 0.000 0.266 13 R C -0.134 176.190 176.300 0.041 0.000 1.044 13 R CA -0.428 55.709 56.100 0.062 0.000 1.151 13 R CB 0.370 30.697 30.300 0.044 0.000 1.037 13 R HN 0.135 nan 8.270 nan 0.000 0.478 14 L N 1.329 122.589 121.223 0.061 0.000 2.473 14 L HA 0.175 4.494 4.340 -0.034 0.000 0.268 14 L C 0.763 177.673 176.870 0.067 0.000 1.215 14 L CA -0.279 54.599 54.840 0.063 0.000 0.823 14 L CB 0.489 42.586 42.059 0.064 0.000 1.099 14 L HN 0.851 nan 8.230 nan 0.000 0.483 15 A N 1.855 124.729 122.820 0.090 0.000 2.462 15 A HA 0.397 4.696 4.320 -0.034 0.000 0.243 15 A C 0.262 177.920 177.584 0.122 0.000 1.076 15 A CA -0.237 51.902 52.037 0.170 0.000 0.773 15 A CB 0.184 19.348 19.000 0.274 0.000 1.010 15 A HN 0.742 nan 8.150 nan 0.000 0.493 16 S N 1.231 116.998 115.700 0.112 0.000 2.690 16 S HA 0.616 5.066 4.470 -0.034 0.000 0.291 16 S C 1.149 175.766 174.600 0.027 0.000 1.138 16 S CA -0.191 58.041 58.200 0.055 0.000 1.013 16 S CB 1.543 64.767 63.200 0.040 0.000 1.053 16 S HN 1.584 nan 8.310 nan 0.000 0.539 17 A N 1.761 124.587 122.820 0.009 0.000 1.940 17 A HA 0.085 4.384 4.320 -0.034 0.000 0.219 17 A C 2.128 179.694 177.584 -0.031 0.000 1.176 17 A CA 1.939 53.971 52.037 -0.009 0.000 0.631 17 A CB -1.812 17.184 19.000 -0.006 0.000 0.814 17 A HN 1.186 nan 8.150 nan 0.000 0.446 18 G N -0.536 108.249 108.800 -0.026 0.000 2.418 18 G HA2 -0.224 3.716 3.960 -0.034 0.000 0.217 18 G HA3 -0.224 3.716 3.960 -0.034 0.000 0.217 18 G C 1.424 176.274 174.900 -0.083 0.000 1.158 18 G CA 0.995 46.070 45.100 -0.041 0.000 0.771 18 G HN 0.669 nan 8.290 nan 0.000 0.545 19 E N 0.010 120.156 120.200 -0.090 0.000 2.077 19 E HA -0.067 4.262 4.350 -0.034 0.000 0.193 19 E C 2.508 178.862 176.600 -0.409 0.000 0.989 19 E CA 0.630 56.904 56.400 -0.210 0.000 0.800 19 E CB -0.152 29.494 29.700 -0.090 0.000 0.746 19 E HN 0.487 nan 8.360 nan 0.000 0.452 20 I N 0.890 121.284 120.570 -0.294 0.000 2.286 20 I HA -0.243 3.907 4.170 -0.034 0.000 0.248 20 I C 2.344 178.339 176.117 -0.203 0.000 1.115 20 I CA 0.729 61.858 61.300 -0.286 0.000 1.392 20 I CB -0.174 37.751 38.000 -0.126 0.000 1.065 20 I HN 0.003 nan 8.210 nan 0.000 0.418 21 S N 0.303 115.922 115.700 -0.136 0.000 2.368 21 S HA -0.162 4.287 4.470 -0.034 0.000 0.225 21 S C 1.905 176.441 174.600 -0.106 0.000 1.030 21 S CA 1.140 59.285 58.200 -0.092 0.000 0.999 21 S CB -0.198 62.965 63.200 -0.061 0.000 0.844 21 S HN 0.405 nan 8.310 nan 0.000 0.459 22 E N 0.986 121.102 120.200 -0.141 0.000 2.051 22 E HA -0.070 4.260 4.350 -0.034 0.000 0.192 22 E C 2.335 178.846 176.600 -0.148 0.000 0.991 22 E CA 0.737 57.059 56.400 -0.130 0.000 0.799 22 E CB -0.720 28.898 29.700 -0.137 0.000 0.748 22 E HN 0.330 nan 8.360 nan 0.000 0.449 23 V N 1.719 121.489 119.914 -0.241 0.000 2.282 23 V HA -0.311 3.788 4.120 -0.034 0.000 0.249 23 V C 2.704 178.730 176.094 -0.114 0.000 1.057 23 V CA 2.263 64.432 62.300 -0.218 0.000 1.032 23 V CB -0.622 30.994 31.823 -0.345 0.000 0.645 23 V HN 0.330 nan 8.190 nan 0.000 0.447 24 Q N 0.014 119.753 119.800 -0.101 0.000 2.096 24 Q HA -0.194 4.126 4.340 -0.034 0.000 0.204 24 Q C 2.247 178.229 176.000 -0.030 0.000 0.982 24 Q CA 2.182 57.958 55.803 -0.045 0.000 0.850 24 Q CB -0.500 28.219 28.738 -0.032 0.000 0.901 24 Q HN 0.661 nan 8.270 nan 0.000 0.422 25 G N 1.329 110.104 108.800 -0.042 0.000 2.421 25 G HA2 -0.213 3.726 3.960 -0.034 0.000 0.216 25 G HA3 -0.213 3.726 3.960 -0.034 0.000 0.216 25 G C 1.432 176.318 174.900 -0.023 0.000 1.171 25 G CA 0.851 45.933 45.100 -0.030 0.000 0.775 25 G HN 0.321 nan 8.290 nan 0.000 0.543 26 I N 1.172 121.723 120.570 -0.032 0.000 2.118 26 I HA -0.162 3.987 4.170 -0.034 0.000 0.241 26 I C 2.902 179.016 176.117 -0.006 0.000 1.070 26 I CA 1.059 62.347 61.300 -0.019 0.000 1.327 26 I CB -1.316 36.669 38.000 -0.025 0.000 1.034 26 I HN 0.166 nan 8.210 nan 0.000 0.405 27 L N -0.087 121.134 121.223 -0.004 0.000 2.042 27 L HA -0.220 4.099 4.340 -0.034 0.000 0.210 27 L C 2.857 179.734 176.870 0.013 0.000 1.076 27 L CA 1.382 56.230 54.840 0.012 0.000 0.749 27 L CB -0.666 41.405 42.059 0.020 0.000 0.893 27 L HN 0.218 nan 8.230 nan 0.000 0.432 28 R N -0.161 120.343 120.500 0.007 0.000 2.088 28 R HA -0.111 4.209 4.340 -0.034 0.000 0.232 28 R C 1.544 177.845 176.300 0.003 0.000 1.136 28 R CA 1.825 57.928 56.100 0.006 0.000 0.926 28 R CB -0.763 29.538 30.300 0.001 0.000 0.837 28 R HN 0.243 nan 8.270 nan 0.000 0.429 29 T N 0.135 114.688 114.554 -0.002 0.000 3.829 29 T HA 0.170 4.499 4.350 -0.034 0.000 0.251 29 T C 0.461 175.162 174.700 0.001 0.000 1.030 29 T CA 0.657 62.756 62.100 -0.002 0.000 0.954 29 T CB 0.112 68.977 68.868 -0.006 0.000 1.120 29 T HN 0.369 nan 8.240 nan 0.000 0.633 30 A N -0.308 122.515 122.820 0.004 0.000 2.736 30 A HA 0.627 4.926 4.320 -0.034 0.000 0.222 30 A C 1.559 179.148 177.584 0.009 0.000 1.267 30 A CA 0.222 52.264 52.037 0.007 0.000 1.026 30 A CB -0.153 18.854 19.000 0.012 0.000 1.281 30 A HN 0.654 nan 8.150 nan 0.000 0.577 31 G N 0.037 108.841 108.800 0.007 0.000 2.166 31 G HA2 -0.305 3.634 3.960 -0.034 0.000 0.260 31 G HA3 -0.305 3.634 3.960 -0.034 0.000 0.260 31 G C 0.831 175.738 174.900 0.012 0.000 0.986 31 G CA 0.865 45.969 45.100 0.007 0.000 0.683 31 G HN 0.629 nan 8.290 nan 0.000 0.527 32 L N -1.565 119.669 121.223 0.018 0.000 2.375 32 L HA 0.400 4.720 4.340 -0.034 0.000 0.215 32 L C 1.063 177.953 176.870 0.033 0.000 1.108 32 L CA 0.197 55.052 54.840 0.026 0.000 0.830 32 L CB 0.127 42.206 42.059 0.033 0.000 0.959 32 L HN 0.253 nan 8.230 nan 0.000 0.457 33 L N 0.350 121.593 121.223 0.032 0.000 2.325 33 L HA 0.769 5.089 4.340 -0.034 0.000 0.281 33 L C -0.110 176.785 176.870 0.042 0.000 1.004 33 L CA -0.035 54.833 54.840 0.046 0.000 0.823 33 L CB 1.391 43.477 42.059 0.046 0.000 1.236 33 L HN -0.064 nan 8.230 nan 0.000 0.415 34 G N 3.591 112.424 108.800 0.055 0.000 2.600 34 G HA2 0.407 4.347 3.960 -0.034 0.000 0.293 34 G HA3 0.407 4.347 3.960 -0.034 0.000 0.293 34 G C -2.632 172.305 174.900 0.062 0.000 1.408 34 G CA -0.665 44.459 45.100 0.041 0.000 0.782 34 G HN 0.330 nan 8.290 nan 0.000 0.482 35 P HA -0.085 nan 4.420 nan 0.000 0.220 35 P C 1.374 178.716 177.300 0.070 0.000 1.144 35 P CA 1.513 64.634 63.100 0.034 0.000 0.800 35 P CB 0.384 32.081 31.700 -0.004 0.000 0.772 36 E N -1.750 118.479 120.200 0.048 0.000 2.476 36 E HA 0.043 4.372 4.350 -0.034 0.000 0.199 36 E C 0.306 176.921 176.600 0.025 0.000 1.021 36 E CA 0.496 56.913 56.400 0.030 0.000 0.907 36 E CB 0.001 29.698 29.700 -0.006 0.000 0.974 36 E HN 0.087 nan 8.360 nan 0.000 0.489 37 K N 1.280 121.718 120.400 0.064 0.000 2.106 37 K HA 0.479 4.778 4.320 -0.034 0.000 0.246 37 K C 0.104 176.777 176.600 0.122 0.000 0.987 37 K CA -0.715 55.611 56.287 0.065 0.000 0.904 37 K CB 1.305 33.844 32.500 0.064 0.000 1.071 37 K HN -0.073 nan 8.250 nan 0.000 0.453 38 R N 1.262 121.824 120.500 0.103 0.000 2.535 38 R HA 0.356 4.676 4.340 -0.034 0.000 0.274 38 R C -0.579 175.754 176.300 0.056 0.000 1.090 38 R CA -0.756 55.371 56.100 0.045 0.000 0.930 38 R CB 1.050 31.385 30.300 0.060 0.000 1.223 38 R HN 0.481 nan 8.270 nan 0.000 0.441 39 I N 2.816 123.378 120.570 -0.015 0.000 2.406 39 I HA 0.082 4.232 4.170 -0.034 0.000 0.293 39 I C 1.470 177.600 176.117 0.023 0.000 1.101 39 I CA 0.228 61.540 61.300 0.019 0.000 1.334 39 I CB 0.501 38.484 38.000 -0.029 0.000 1.421 39 I HN 0.717 nan 8.210 nan 0.000 0.513 40 A N 6.846 129.741 122.820 0.125 0.000 2.081 40 A HA -0.006 4.294 4.320 -0.034 0.000 0.214 40 A C 0.486 178.192 177.584 0.204 0.000 1.158 40 A CA 0.715 52.838 52.037 0.145 0.000 0.724 40 A CB 0.157 19.286 19.000 0.215 0.000 0.826 40 A HN 0.664 nan 8.150 nan 0.000 0.463 41 Y N -2.020 118.300 120.300 0.033 0.000 2.474 41 Y HA 0.558 5.087 4.550 -0.035 0.000 0.326 41 Y C -1.834 173.955 175.900 -0.184 0.000 1.160 41 Y CA -1.160 56.859 58.100 -0.135 0.000 1.056 41 Y CB 1.167 39.422 38.460 -0.342 0.000 1.330 41 Y HN 0.157 nan 8.280 nan 0.000 0.447 42 L N 5.409 125.949 121.223 -1.140 0.000 2.543 42 L HA 0.963 5.282 4.340 -0.034 0.000 0.265 42 L C -1.236 175.114 176.870 -0.867 0.000 0.945 42 L CA -0.190 54.181 54.840 -0.781 0.000 0.869 42 L CB 2.013 43.903 42.059 -0.282 0.000 1.294 42 L HN 0.954 nan 8.230 nan 0.000 0.405 43 G N 2.752 111.203 108.800 -0.581 0.000 2.698 43 G HA2 0.467 4.406 3.960 -0.034 0.000 0.293 43 G HA3 0.467 4.406 3.960 -0.034 0.000 0.293 43 G C -1.977 172.744 174.900 -0.299 0.000 1.437 43 G CA -0.539 44.365 45.100 -0.326 0.000 0.852 43 G HN 0.496 nan 8.290 nan 0.000 0.499 44 V N 1.513 121.101 119.914 -0.543 0.000 2.649 44 V HA 0.567 4.666 4.120 -0.034 0.000 0.292 44 V C 0.235 176.072 176.094 -0.428 0.000 1.055 44 V CA -0.512 61.212 62.300 -0.960 0.000 1.023 44 V CB 0.765 31.972 31.823 -1.028 0.000 0.992 44 V HN 0.566 nan 8.190 nan 0.000 0.480 45 L N 5.418 126.424 121.223 -0.362 0.000 2.375 45 L HA 0.457 4.777 4.340 -0.034 0.000 0.271 45 L C 0.068 176.823 176.870 -0.191 0.000 1.107 45 L CA -0.763 53.969 54.840 -0.179 0.000 0.806 45 L CB 0.962 42.956 42.059 -0.109 0.000 1.146 45 L HN 0.597 nan 8.230 nan 0.000 0.447 46 D N 2.162 122.495 120.400 -0.111 0.000 2.357 46 D HA 0.216 4.836 4.640 -0.034 0.000 0.242 46 D C -2.021 174.183 176.300 -0.160 0.000 1.153 46 D CA -0.919 53.006 54.000 -0.126 0.000 0.918 46 D CB 0.329 41.161 40.800 0.054 0.000 1.181 46 D HN 0.250 nan 8.370 nan 0.000 0.435 47 P HA 0.142 nan 4.420 nan 0.000 0.267 47 P C -0.755 176.496 177.300 -0.081 0.000 1.200 47 P CA -0.087 62.870 63.100 -0.237 0.000 0.772 47 P CB 0.466 31.924 31.700 -0.402 0.000 0.855 48 A N 3.109 125.895 122.820 -0.057 0.000 2.366 48 A HA 0.204 4.504 4.320 -0.034 0.000 0.249 48 A C 0.394 177.972 177.584 -0.009 0.000 1.084 48 A CA -0.349 51.680 52.037 -0.013 0.000 0.794 48 A CB 0.098 19.090 19.000 -0.013 0.000 1.034 48 A HN 0.380 nan 8.150 nan 0.000 0.491 49 R N 0.630 121.120 120.500 -0.017 0.000 2.457 49 R HA 0.319 4.638 4.340 -0.034 0.000 0.335 49 R C 0.509 176.794 176.300 -0.026 0.000 1.003 49 R CA 1.239 57.296 56.100 -0.072 0.000 1.003 49 R CB -0.785 29.422 30.300 -0.154 0.000 0.950 49 R HN 1.603 nan 8.270 nan 0.000 0.428 50 G N 1.527 110.334 108.800 0.012 0.000 2.949 50 G HA2 -0.031 3.909 3.960 -0.034 0.000 0.658 50 G HA3 -0.031 3.909 3.960 -0.034 0.000 0.658 50 G C 0.257 175.171 174.900 0.024 0.000 1.194 50 G CA -0.319 44.796 45.100 0.025 0.000 1.204 50 G HN 0.589 nan 8.290 nan 0.000 0.524 51 A N 0.789 123.634 122.820 0.041 0.000 2.261 51 A HA 0.519 4.819 4.320 -0.034 0.000 0.208 51 A C 2.412 180.006 177.584 0.017 0.000 1.223 51 A CA 1.742 53.795 52.037 0.027 0.000 0.833 51 A CB -0.185 18.844 19.000 0.048 0.000 0.830 51 A HN 2.015 nan 8.150 nan 0.000 0.483 52 G N 0.548 109.359 108.800 0.017 0.000 2.479 52 G HA2 -0.098 3.842 3.960 -0.034 0.000 0.220 52 G HA3 -0.098 3.842 3.960 -0.034 0.000 0.220 52 G C 1.040 175.943 174.900 0.005 0.000 1.115 52 G CA 0.968 46.075 45.100 0.013 0.000 0.757 52 G HN 0.834 nan 8.290 nan 0.000 0.560 53 S N 1.718 117.418 115.700 -0.001 0.000 3.036 53 S HA 0.359 4.808 4.470 -0.034 0.000 0.301 53 S C -0.005 174.588 174.600 -0.011 0.000 1.205 53 S CA -0.729 57.467 58.200 -0.006 0.000 0.999 53 S CB 0.661 63.854 63.200 -0.011 0.000 1.337 53 S HN 0.236 nan 8.310 nan 0.000 0.515 54 E N 2.092 122.288 120.200 -0.007 0.000 2.485 54 E HA 0.281 4.610 4.350 -0.034 0.000 0.266 54 E C 0.690 177.280 176.600 -0.016 0.000 1.090 54 E CA 0.908 57.302 56.400 -0.010 0.000 0.987 54 E CB -0.025 29.672 29.700 -0.005 0.000 0.974 54 E HN 1.363 nan 8.360 nan 0.000 0.455 55 A N 1.631 124.440 122.820 -0.020 0.000 2.348 55 A HA -0.131 4.169 4.320 -0.034 0.000 0.653 55 A C 0.247 177.809 177.584 -0.036 0.000 0.215 55 A CA 0.675 52.698 52.037 -0.024 0.000 0.165 55 A CB -0.728 18.262 19.000 -0.016 0.000 3.786 55 A HN 0.552 nan 8.150 nan 0.000 0.522 56 E N 2.620 122.789 120.200 -0.051 0.000 2.259 56 E HA 0.380 4.710 4.350 -0.034 0.000 0.281 56 E C -0.360 176.206 176.600 -0.056 0.000 1.037 56 E CA -0.104 56.250 56.400 -0.077 0.000 0.854 56 E CB 1.146 30.773 29.700 -0.121 0.000 1.051 56 E HN 0.565 nan 8.360 nan 0.000 0.409 57 D N 4.136 124.503 120.400 -0.054 0.000 2.522 57 D HA 0.054 4.674 4.640 -0.034 0.000 0.218 57 D C -0.483 175.801 176.300 -0.026 0.000 1.149 57 D CA -0.533 53.451 54.000 -0.028 0.000 0.981 57 D CB 0.094 40.882 40.800 -0.020 0.000 1.041 57 D HN 0.144 nan 8.370 nan 0.000 0.518 58 R N 3.400 123.897 120.500 -0.005 0.000 2.507 58 R HA 0.104 4.423 4.340 -0.034 0.000 0.341 58 R C 0.212 176.582 176.300 0.117 0.000 0.960 58 R CA 0.288 56.405 56.100 0.028 0.000 1.032 58 R CB -0.142 30.224 30.300 0.110 0.000 0.933 58 R HN 0.432 nan 8.270 nan 0.000 0.418 59 R N 2.397 122.918 120.500 0.033 0.000 2.711 59 R HA 0.497 4.816 4.340 -0.034 0.000 0.284 59 R C -0.620 175.710 176.300 0.050 0.000 0.968 59 R CA -0.675 55.491 56.100 0.111 0.000 0.924 59 R CB 1.381 31.701 30.300 0.032 0.000 1.162 59 R HN 0.207 nan 8.270 nan 0.000 0.465 60 F N 0.559 120.495 119.950 -0.024 0.000 2.546 60 F HA 0.479 4.985 4.527 -0.035 0.000 0.320 60 F C 0.334 176.129 175.800 -0.009 0.000 1.076 60 F CA -0.872 57.107 58.000 -0.034 0.000 0.928 60 F CB 1.779 40.746 39.000 -0.056 0.000 1.189 60 F HN 0.176 nan 8.300 nan 0.000 0.465 61 R N 2.053 122.631 120.500 0.130 0.000 2.393 61 R HA 0.835 5.155 4.340 -0.034 0.000 0.310 61 R C -1.935 174.415 176.300 0.084 0.000 0.968 61 R CA -0.477 55.705 56.100 0.136 0.000 0.867 61 R CB 1.459 31.849 30.300 0.150 0.000 1.124 61 R HN 0.567 nan 8.270 nan 0.000 0.450 62 V N 4.757 124.763 119.914 0.154 0.000 2.789 62 V HA 0.517 4.617 4.120 -0.034 0.000 0.311 62 V C -1.111 175.246 176.094 0.438 0.000 1.073 62 V CA -0.828 61.557 62.300 0.142 0.000 0.921 62 V CB 2.004 33.895 31.823 0.114 0.000 1.009 62 V HN 0.565 nan 8.190 nan 0.000 0.426 63 F N 3.977 124.087 119.950 0.266 0.000 2.402 63 F HA 0.630 5.136 4.527 -0.035 0.000 0.355 63 F C 0.061 175.962 175.800 0.168 0.000 1.123 63 F CA -1.724 56.431 58.000 0.258 0.000 1.021 63 F CB 1.307 40.513 39.000 0.342 0.000 1.160 63 F HN 0.208 nan 8.300 nan 0.000 0.451 64 I N 3.833 124.585 120.570 0.304 0.000 2.339 64 I HA 0.241 4.391 4.170 -0.034 0.000 0.290 64 I C -0.142 176.072 176.117 0.162 0.000 0.994 64 I CA -0.701 60.714 61.300 0.191 0.000 1.191 64 I CB 1.477 39.552 38.000 0.126 0.000 1.343 64 I HN 0.535 nan 8.210 nan 0.000 0.458 65 H N 5.707 124.812 119.070 0.057 0.000 2.495 65 H HA 0.374 4.910 4.556 -0.034 0.000 0.350 65 H C -1.129 174.207 175.328 0.014 0.000 1.202 65 H CA -0.334 55.726 56.048 0.020 0.000 1.322 65 H CB 1.483 31.251 29.762 0.010 0.000 1.544 65 H HN 0.538 nan 8.280 nan 0.000 0.565 66 D N 3.505 123.388 120.400 -0.862 0.000 2.575 66 D HA 0.074 4.693 4.640 -0.034 0.000 0.250 66 D C 1.023 176.949 176.300 -0.624 0.000 1.279 66 D CA -0.428 53.263 54.000 -0.515 0.000 0.925 66 D CB 1.441 42.075 40.800 -0.277 0.000 1.261 66 D HN 0.476 nan 8.370 nan 0.000 0.567 67 V N 2.084 121.835 119.914 -0.272 0.000 2.867 67 V HA -0.105 3.995 4.120 -0.034 0.000 0.260 67 V C 2.007 178.065 176.094 -0.059 0.000 1.099 67 V CA 1.802 64.061 62.300 -0.069 0.000 1.122 67 V CB -0.448 31.405 31.823 0.049 0.000 0.708 67 V HN 0.431 nan 8.190 nan 0.000 0.490 68 S N 0.595 116.244 115.700 -0.085 0.000 2.387 68 S HA 0.230 4.679 4.470 -0.034 0.000 0.226 68 S C 1.721 176.284 174.600 -0.061 0.000 1.026 68 S CA 1.859 60.026 58.200 -0.055 0.000 0.972 68 S CB -0.154 63.016 63.200 -0.050 0.000 0.814 68 S HN 1.608 nan 8.310 nan 0.000 0.477 69 G N -0.314 108.427 108.800 -0.099 0.000 2.273 69 G HA2 0.081 4.020 3.960 -0.034 0.000 0.162 69 G HA3 0.081 4.020 3.960 -0.034 0.000 0.162 69 G C 0.152 175.000 174.900 -0.086 0.000 1.006 69 G CA 0.038 45.091 45.100 -0.079 0.000 0.704 69 G HN 0.926 nan 8.290 nan 0.000 0.487 70 A N 0.507 123.267 122.820 -0.100 0.000 2.366 70 A HA 0.701 5.000 4.320 -0.034 0.000 0.249 70 A C 0.842 178.366 177.584 -0.099 0.000 1.084 70 A CA -0.008 51.978 52.037 -0.085 0.000 0.794 70 A CB 0.233 19.189 19.000 -0.074 0.000 1.034 70 A HN 0.470 nan 8.150 nan 0.000 0.491 71 R N 1.353 121.805 120.500 -0.080 0.000 2.570 71 R HA 0.157 4.476 4.340 -0.034 0.000 0.277 71 R C -2.065 174.183 176.300 -0.088 0.000 1.039 71 R CA -0.800 55.249 56.100 -0.085 0.000 1.065 71 R CB 0.075 30.329 30.300 -0.077 0.000 0.964 71 R HN 0.599 nan 8.270 nan 0.000 0.428 72 P HA 0.037 nan 4.420 nan 0.000 0.274 72 P C -1.070 176.188 177.300 -0.071 0.000 1.256 72 P CA -0.193 62.864 63.100 -0.071 0.000 0.795 72 P CB 0.888 32.548 31.700 -0.067 0.000 1.038 73 Q N -0.783 119.008 119.800 -0.016 0.000 2.416 73 Q HA 0.361 4.680 4.340 -0.034 0.000 0.281 73 Q C -0.939 175.120 176.000 0.098 0.000 1.067 73 Q CA -0.677 55.133 55.803 0.011 0.000 0.809 73 Q CB 2.624 31.381 28.738 0.032 0.000 1.418 73 Q HN 0.447 nan 8.270 nan 0.000 0.411 74 E N 1.721 121.993 120.200 0.119 0.000 2.113 74 E HA 0.471 4.800 4.350 -0.034 0.000 0.273 74 E C -1.497 175.241 176.600 0.231 0.000 0.924 74 E CA -0.489 56.079 56.400 0.280 0.000 0.764 74 E CB 1.320 31.188 29.700 0.280 0.000 1.104 74 E HN 0.297 nan 8.360 nan 0.000 0.406 75 V N 3.458 123.526 119.914 0.256 0.000 2.656 75 V HA 0.370 4.470 4.120 -0.034 0.000 0.307 75 V C -0.310 175.887 176.094 0.171 0.000 1.051 75 V CA -0.775 61.628 62.300 0.172 0.000 0.893 75 V CB 2.226 34.127 31.823 0.129 0.000 0.999 75 V HN 0.694 nan 8.190 nan 0.000 0.426 76 T N 4.088 118.721 114.554 0.133 0.000 2.772 76 T HA 0.565 4.894 4.350 -0.034 0.000 0.288 76 T C -0.283 174.476 174.700 0.098 0.000 0.994 76 T CA -0.369 61.804 62.100 0.122 0.000 0.951 76 T CB 1.261 70.191 68.868 0.103 0.000 0.933 76 T HN 0.723 nan 8.240 nan 0.000 0.447 77 V N 1.071 121.051 119.914 0.111 0.000 2.732 77 V HA 0.879 4.978 4.120 -0.034 0.000 0.310 77 V C 0.060 176.217 176.094 0.104 0.000 1.053 77 V CA -0.870 61.480 62.300 0.083 0.000 0.957 77 V CB 2.020 33.873 31.823 0.049 0.000 1.018 77 V HN 0.713 nan 8.190 nan 0.000 0.452 78 S N 1.939 117.680 115.700 0.068 0.000 2.498 78 S HA 0.445 4.894 4.470 -0.034 0.000 0.324 78 S C 0.490 175.118 174.600 0.048 0.000 1.071 78 S CA -0.429 57.813 58.200 0.071 0.000 1.113 78 S CB 1.108 64.334 63.200 0.043 0.000 0.976 78 S HN 0.748 nan 8.310 nan 0.000 0.462 79 V N 5.043 125.000 119.914 0.073 0.000 2.591 79 V HA -0.068 4.032 4.120 -0.034 0.000 0.249 79 V C 2.516 178.619 176.094 0.015 0.000 1.053 79 V CA 1.997 64.301 62.300 0.006 0.000 1.068 79 V CB -0.969 30.842 31.823 -0.019 0.000 0.689 79 V HN 0.846 nan 8.190 nan 0.000 0.462 80 T N 0.928 115.505 114.554 0.037 0.000 2.684 80 T HA -0.138 4.191 4.350 -0.034 0.000 0.267 80 T C 1.446 176.151 174.700 0.008 0.000 1.036 80 T CA 1.695 63.806 62.100 0.020 0.000 1.148 80 T CB -0.232 68.646 68.868 0.017 0.000 0.863 80 T HN 0.483 nan 8.240 nan 0.000 0.436 81 N N 0.100 118.806 118.700 0.009 0.000 2.187 81 N HA 0.211 4.931 4.740 -0.034 0.000 0.212 81 N C 0.854 176.365 175.510 0.001 0.000 1.152 81 N CA 0.298 53.350 53.050 0.004 0.000 0.872 81 N CB 0.788 39.279 38.487 0.006 0.000 1.025 81 N HN 0.442 nan 8.380 nan 0.000 0.514 82 G N 2.237 111.036 108.800 -0.002 0.000 2.372 82 G HA2 -0.267 3.673 3.960 -0.034 0.000 0.290 82 G HA3 -0.267 3.673 3.960 -0.034 0.000 0.290 82 G C 0.142 175.040 174.900 -0.003 0.000 0.965 82 G CA 1.169 46.263 45.100 -0.010 0.000 1.263 82 G HN 0.478 nan 8.290 nan 0.000 0.498 83 T N -3.850 110.707 114.554 0.005 0.000 2.841 83 T HA 0.649 4.978 4.350 -0.034 0.000 0.296 83 T C -0.483 174.228 174.700 0.018 0.000 1.166 83 T CA -0.564 61.542 62.100 0.010 0.000 1.007 83 T CB 2.459 71.334 68.868 0.011 0.000 1.253 83 T HN 0.818 nan 8.240 nan 0.000 0.511 84 V N 3.356 123.283 119.914 0.020 0.000 2.288 84 V HA 0.201 4.300 4.120 -0.034 0.000 0.266 84 V C 1.387 177.501 176.094 0.033 0.000 1.048 84 V CA -0.712 61.605 62.300 0.030 0.000 0.842 84 V CB -0.067 31.772 31.823 0.028 0.000 1.064 84 V HN 0.796 nan 8.190 nan 0.000 0.472 85 I N 2.887 123.481 120.570 0.040 0.000 2.163 85 I HA -0.097 4.052 4.170 -0.034 0.000 0.243 85 I C 1.141 177.282 176.117 0.040 0.000 1.085 85 I CA 1.522 62.845 61.300 0.038 0.000 1.347 85 I CB -0.658 37.368 38.000 0.044 0.000 1.044 85 I HN 0.798 nan 8.210 nan 0.000 0.408 86 S N -1.000 114.730 115.700 0.051 0.000 2.565 86 S HA 0.800 5.249 4.470 -0.034 0.000 0.269 86 S C -0.952 173.685 174.600 0.063 0.000 1.153 86 S CA -0.432 57.799 58.200 0.052 0.000 0.835 86 S CB 2.475 65.708 63.200 0.055 0.000 1.122 86 S HN 0.373 nan 8.310 nan 0.000 0.462 87 A N 1.296 124.148 122.820 0.055 0.000 2.497 87 A HA 0.710 5.009 4.320 -0.034 0.000 0.280 87 A C -1.266 176.345 177.584 0.045 0.000 1.065 87 A CA -0.631 51.441 52.037 0.058 0.000 0.781 87 A CB 1.143 20.170 19.000 0.046 0.000 1.289 87 A HN 1.254 nan 8.150 nan 0.000 0.415 88 V N 1.878 121.823 119.914 0.050 0.000 2.604 88 V HA 0.438 4.537 4.120 -0.034 0.000 0.305 88 V C 0.180 176.276 176.094 0.005 0.000 1.043 88 V CA -0.658 61.658 62.300 0.027 0.000 0.888 88 V CB 1.848 33.691 31.823 0.033 0.000 0.995 88 V HN 0.969 nan 8.190 nan 0.000 0.429 89 E N 3.323 123.513 120.200 -0.017 0.000 2.313 89 E HA 0.492 4.822 4.350 -0.034 0.000 0.276 89 E C -1.306 175.247 176.600 -0.077 0.000 1.031 89 E CA -0.425 55.950 56.400 -0.043 0.000 0.857 89 E CB 0.937 30.613 29.700 -0.039 0.000 1.040 89 E HN 0.537 nan 8.360 nan 0.000 0.408 90 L N 3.405 124.551 121.223 -0.127 0.000 2.325 90 L HA 0.296 4.616 4.340 -0.034 0.000 0.278 90 L C -0.201 176.558 176.870 -0.186 0.000 1.023 90 L CA -0.796 53.923 54.840 -0.202 0.000 0.811 90 L CB 1.443 43.277 42.059 -0.374 0.000 1.249 90 L HN 0.520 nan 8.230 nan 0.000 0.431 91 D N 0.885 121.179 120.400 -0.177 0.000 2.485 91 D HA 0.080 4.700 4.640 -0.034 0.000 0.221 91 D C 1.301 177.489 176.300 -0.185 0.000 1.112 91 D CA -0.284 53.628 54.000 -0.147 0.000 0.911 91 D CB 1.152 41.887 40.800 -0.108 0.000 1.019 91 D HN 0.675 nan 8.370 nan 0.000 0.516 92 T N 0.857 115.290 114.554 -0.201 0.000 2.699 92 T HA -0.249 4.080 4.350 -0.034 0.000 0.268 92 T C 1.909 176.501 174.700 -0.179 0.000 1.036 92 T CA 1.272 63.243 62.100 -0.215 0.000 1.147 92 T CB -0.285 68.480 68.868 -0.172 0.000 0.862 92 T HN 0.253 nan 8.240 nan 0.000 0.446 93 A N 1.425 124.158 122.820 -0.144 0.000 2.024 93 A HA 0.323 4.623 4.320 -0.034 0.000 0.220 93 A C 2.670 180.151 177.584 -0.172 0.000 1.164 93 A CA 1.927 53.881 52.037 -0.138 0.000 0.643 93 A CB -1.124 17.815 19.000 -0.102 0.000 0.806 93 A HN 0.849 nan 8.150 nan 0.000 0.451 94 A N -1.013 121.707 122.820 -0.168 0.000 1.881 94 A HA 0.131 4.430 4.320 -0.034 0.000 0.210 94 A C 2.166 179.626 177.584 -0.207 0.000 1.239 94 A CA 1.781 53.718 52.037 -0.167 0.000 0.629 94 A CB -0.703 18.230 19.000 -0.111 0.000 0.906 94 A HN 0.694 nan 8.150 nan 0.000 0.460 95 T N -3.328 111.132 114.554 -0.157 0.000 3.069 95 T HA 0.480 4.809 4.350 -0.034 0.000 0.252 95 T C 0.816 175.551 174.700 0.059 0.000 1.053 95 T CA 0.794 62.877 62.100 -0.028 0.000 0.964 95 T CB -0.104 68.769 68.868 0.008 0.000 1.005 95 T HN 1.914 nan 8.240 nan 0.000 0.532 96 G N 1.159 109.880 108.800 -0.132 0.000 2.650 96 G HA2 0.029 3.968 3.960 -0.034 0.000 0.686 96 G HA3 0.029 3.968 3.960 -0.034 0.000 0.686 96 G C -1.016 173.799 174.900 -0.141 0.000 1.205 96 G CA -1.083 43.993 45.100 -0.040 0.000 0.781 96 G HN 0.261 nan 8.290 nan 0.000 0.648 97 E N -0.093 120.059 120.200 -0.080 0.000 2.371 97 E HA 0.493 4.822 4.350 -0.034 0.000 0.257 97 E C 1.112 177.688 176.600 -0.039 0.000 1.134 97 E CA -0.458 55.885 56.400 -0.096 0.000 0.919 97 E CB 0.866 30.531 29.700 -0.059 0.000 1.025 97 E HN 0.511 nan 8.360 nan 0.000 0.438 98 L N 1.772 122.970 121.223 -0.042 0.000 2.453 98 L HA 0.219 4.539 4.340 -0.034 0.000 0.261 98 L C -1.957 174.946 176.870 0.055 0.000 1.179 98 L CA -1.852 53.032 54.840 0.072 0.000 0.813 98 L CB -0.026 42.080 42.059 0.079 0.000 1.110 98 L HN 0.153 nan 8.230 nan 0.000 0.466 99 P HA -0.046 nan 4.420 nan 0.000 0.266 99 P C -0.624 176.650 177.300 -0.044 0.000 1.193 99 P CA -0.217 62.909 63.100 0.042 0.000 0.770 99 P CB 0.327 32.095 31.700 0.114 0.000 0.836 100 V N 3.959 123.804 119.914 -0.115 0.000 2.694 100 V HA -0.085 4.014 4.120 -0.034 0.000 0.306 100 V C 0.824 176.811 176.094 -0.178 0.000 1.054 100 V CA 0.488 62.680 62.300 -0.179 0.000 1.161 100 V CB -0.402 31.280 31.823 -0.236 0.000 0.916 100 V HN 0.327 nan 8.190 nan 0.000 0.490 101 L N 3.762 124.808 121.223 -0.295 0.000 2.326 101 L HA 0.280 4.600 4.340 -0.034 0.000 0.278 101 L C 1.582 178.117 176.870 -0.558 0.000 1.092 101 L CA -0.044 54.614 54.840 -0.304 0.000 0.810 101 L CB 0.970 42.862 42.059 -0.279 0.000 1.153 101 L HN 0.773 nan 8.230 nan 0.000 0.439 102 E N 2.132 122.116 120.200 -0.360 0.000 2.118 102 E HA -0.251 4.078 4.350 -0.034 0.000 0.195 102 E C 1.427 177.827 176.600 -0.334 0.000 0.992 102 E CA 1.736 57.924 56.400 -0.353 0.000 0.804 102 E CB 0.236 30.048 29.700 0.187 0.000 0.741 102 E HN 0.788 nan 8.360 nan 0.000 0.458 103 E N -0.068 120.008 120.200 -0.206 0.000 2.478 103 E HA -0.153 4.177 4.350 -0.034 0.000 0.198 103 E C 1.222 177.751 176.600 -0.119 0.000 1.046 103 E CA 0.718 57.061 56.400 -0.095 0.000 0.870 103 E CB 0.022 29.684 29.700 -0.063 0.000 0.818 103 E HN 0.362 nan 8.360 nan 0.000 0.527 104 E N -0.197 119.835 120.200 -0.280 0.000 2.474 104 E HA 0.020 4.349 4.350 -0.034 0.000 0.194 104 E C 0.579 177.141 176.600 -0.062 0.000 1.041 104 E CA -0.075 56.211 56.400 -0.190 0.000 0.874 104 E CB 0.063 29.619 29.700 -0.240 0.000 0.914 104 E HN 0.279 nan 8.360 nan 0.000 0.498 105 F N 1.517 121.514 119.950 0.080 0.000 2.604 105 F HA -0.009 4.497 4.527 -0.034 0.000 0.298 105 F C 1.751 177.588 175.800 0.062 0.000 1.131 105 F CA 0.646 58.698 58.000 0.087 0.000 1.457 105 F CB -0.161 38.900 39.000 0.101 0.000 1.095 105 F HN 0.035 nan 8.300 nan 0.000 0.574 106 E N 0.050 120.367 120.200 0.194 0.000 2.099 106 E HA -0.073 4.256 4.350 -0.034 0.000 0.191 106 E C 2.452 179.095 176.600 0.071 0.000 0.962 106 E CA 1.116 57.590 56.400 0.123 0.000 0.826 106 E CB -0.449 29.309 29.700 0.098 0.000 0.788 106 E HN 0.250 nan 8.360 nan 0.000 0.461 107 V N 0.369 120.312 119.914 0.049 0.000 2.313 107 V HA -0.290 3.810 4.120 -0.034 0.000 0.253 107 V C 2.238 178.327 176.094 -0.009 0.000 1.070 107 V CA 1.870 64.180 62.300 0.017 0.000 1.057 107 V CB -1.199 30.628 31.823 0.007 0.000 0.653 107 V HN 0.049 nan 8.190 nan 0.000 0.450 108 V N 0.827 120.744 119.914 0.005 0.000 2.255 108 V HA -0.335 3.765 4.120 -0.034 0.000 0.247 108 V C 2.762 178.780 176.094 -0.126 0.000 1.051 108 V CA 2.759 65.030 62.300 -0.050 0.000 1.018 108 V CB -0.975 30.852 31.823 0.007 0.000 0.641 108 V HN 0.792 nan 8.190 nan 0.000 0.445 109 E N -0.179 119.984 120.200 -0.061 0.000 2.072 109 E HA -0.261 4.068 4.350 -0.034 0.000 0.191 109 E C 2.281 178.840 176.600 -0.070 0.000 0.985 109 E CA 1.417 57.773 56.400 -0.073 0.000 0.801 109 E CB -0.130 29.581 29.700 0.017 0.000 0.750 109 E HN 0.709 nan 8.360 nan 0.000 0.452 110 Q N 0.305 120.088 119.800 -0.028 0.000 2.096 110 Q HA -0.173 4.146 4.340 -0.034 0.000 0.204 110 Q C 2.465 178.441 176.000 -0.039 0.000 0.982 110 Q CA 1.533 57.328 55.803 -0.014 0.000 0.850 110 Q CB -0.111 28.631 28.738 0.007 0.000 0.901 110 Q HN 0.372 nan 8.270 nan 0.000 0.422 111 L N 0.254 121.435 121.223 -0.070 0.000 2.005 111 L HA -0.193 4.126 4.340 -0.034 0.000 0.207 111 L C 2.333 179.126 176.870 -0.129 0.000 1.072 111 L CA 0.986 55.776 54.840 -0.082 0.000 0.744 111 L CB -0.452 41.555 42.059 -0.087 0.000 0.895 111 L HN 0.251 nan 8.230 nan 0.000 0.433 112 L N -0.245 120.814 121.223 -0.274 0.000 2.187 112 L HA -0.203 4.117 4.340 -0.034 0.000 0.213 112 L C 2.802 179.565 176.870 -0.179 0.000 1.100 112 L CA 0.868 55.423 54.840 -0.476 0.000 0.765 112 L CB -0.770 40.509 42.059 -1.299 0.000 0.904 112 L HN 0.270 nan 8.230 nan 0.000 0.437 113 A N -0.038 122.747 122.820 -0.057 0.000 2.024 113 A HA -0.184 4.115 4.320 -0.034 0.000 0.220 113 A C 2.119 179.766 177.584 0.105 0.000 1.164 113 A CA 2.115 54.212 52.037 0.100 0.000 0.643 113 A CB -0.670 18.369 19.000 0.064 0.000 0.806 113 A HN 0.509 nan 8.150 nan 0.000 0.451 114 T N -3.195 111.392 114.554 0.055 0.000 3.174 114 T HA 0.195 4.525 4.350 -0.034 0.000 0.269 114 T C -0.031 174.702 174.700 0.055 0.000 1.017 114 T CA -0.041 62.090 62.100 0.053 0.000 0.899 114 T CB -0.071 68.814 68.868 0.029 0.000 1.077 114 T HN 0.330 nan 8.240 nan 0.000 0.552 115 D N 1.293 121.741 120.400 0.081 0.000 2.232 115 D HA 0.128 4.747 4.640 -0.034 0.000 0.242 115 D C 0.610 176.984 176.300 0.123 0.000 1.093 115 D CA -0.289 53.762 54.000 0.085 0.000 0.845 115 D CB 1.489 42.334 40.800 0.074 0.000 1.124 115 D HN -0.033 nan 8.370 nan 0.000 0.467 116 E N 3.558 123.804 120.200 0.077 0.000 2.110 116 E HA -0.170 4.160 4.350 -0.034 0.000 0.193 116 E C 1.870 178.511 176.600 0.068 0.000 0.988 116 E CA 0.983 57.420 56.400 0.062 0.000 0.804 116 E CB 0.060 29.781 29.700 0.035 0.000 0.745 116 E HN 0.569 nan 8.360 nan 0.000 0.458 117 R N -0.137 120.412 120.500 0.081 0.000 2.073 117 R HA -0.107 4.212 4.340 -0.034 0.000 0.234 117 R C 2.333 178.702 176.300 0.115 0.000 1.134 117 R CA 1.468 57.613 56.100 0.075 0.000 0.952 117 R CB -0.436 29.906 30.300 0.070 0.000 0.850 117 R HN 0.342 nan 8.270 nan 0.000 0.433 118 W N 1.563 122.844 121.300 -0.031 0.000 2.355 118 W HA -0.161 4.495 4.660 -0.007 0.000 0.309 118 W C 1.562 178.070 176.519 -0.019 0.000 1.206 118 W CA 1.335 58.663 57.345 -0.027 0.000 1.284 118 W CB -0.187 29.261 29.460 -0.021 0.000 1.145 118 W HN 0.092 nan 8.180 nan 0.000 0.502 119 L N 0.757 122.060 121.223 0.132 0.000 2.083 119 L HA -0.249 4.070 4.340 -0.034 0.000 0.209 119 L C 2.522 179.357 176.870 -0.059 0.000 1.083 119 L CA 1.496 56.349 54.840 0.021 0.000 0.752 119 L CB -0.784 41.317 42.059 0.070 0.000 0.899 119 L HN -0.103 nan 8.230 nan 0.000 0.433 120 K N -0.083 120.293 120.400 -0.039 0.000 2.148 120 K HA -0.082 4.218 4.320 -0.034 0.000 0.204 120 K C 2.225 178.761 176.600 -0.106 0.000 1.050 120 K CA 1.135 57.389 56.287 -0.055 0.000 0.942 120 K CB -0.151 32.331 32.500 -0.029 0.000 0.724 120 K HN 0.276 nan 8.250 nan 0.000 0.446 121 A N 1.327 124.047 122.820 -0.166 0.000 1.930 121 A HA -0.082 4.217 4.320 -0.034 0.000 0.217 121 A C 2.066 179.480 177.584 -0.284 0.000 1.175 121 A CA 1.065 52.960 52.037 -0.235 0.000 0.627 121 A CB -0.442 18.355 19.000 -0.338 0.000 0.815 121 A HN 0.122 nan 8.150 nan 0.000 0.443 122 L N -0.931 120.084 121.223 -0.348 0.000 2.072 122 L HA -0.112 4.208 4.340 -0.034 0.000 0.205 122 L C 3.088 179.861 176.870 -0.161 0.000 1.079 122 L CA 0.951 55.616 54.840 -0.291 0.000 0.752 122 L CB -0.621 41.256 42.059 -0.302 0.000 0.906 122 L HN 0.412 nan 8.230 nan 0.000 0.436 123 A N 0.336 123.083 122.820 -0.122 0.000 1.940 123 A HA -0.185 4.115 4.320 -0.034 0.000 0.219 123 A C 2.498 180.039 177.584 -0.073 0.000 1.176 123 A CA 1.739 53.730 52.037 -0.077 0.000 0.631 123 A CB -0.642 18.325 19.000 -0.055 0.000 0.814 123 A HN 0.406 nan 8.150 nan 0.000 0.446 124 A N -0.469 122.300 122.820 -0.085 0.000 2.019 124 A HA -0.104 4.195 4.320 -0.034 0.000 0.219 124 A C 2.099 179.641 177.584 -0.070 0.000 1.164 124 A CA 1.376 53.370 52.037 -0.072 0.000 0.644 124 A CB -0.305 18.650 19.000 -0.075 0.000 0.805 124 A HN 0.556 nan 8.150 nan 0.000 0.449 125 R N -0.734 119.713 120.500 -0.087 0.000 2.362 125 R HA 0.110 4.430 4.340 -0.034 0.000 0.227 125 R C -0.337 175.924 176.300 -0.065 0.000 0.905 125 R CA 0.139 56.194 56.100 -0.076 0.000 1.067 125 R CB 0.148 30.390 30.300 -0.097 0.000 1.078 125 R HN 0.457 nan 8.270 nan 0.000 0.516 126 N N 1.057 119.719 118.700 -0.063 0.000 2.740 126 N HA -0.180 4.540 4.740 -0.034 0.000 0.248 126 N C -1.023 174.456 175.510 -0.052 0.000 1.062 126 N CA 0.955 53.975 53.050 -0.050 0.000 0.704 126 N CB -1.336 37.129 38.487 -0.038 0.000 0.968 126 N HN 0.276 nan 8.380 nan 0.000 0.547 127 L N 0.132 121.315 121.223 -0.068 0.000 2.307 127 L HA 0.333 4.652 4.340 -0.034 0.000 0.284 127 L C 0.708 177.550 176.870 -0.047 0.000 1.023 127 L CA -0.842 53.960 54.840 -0.064 0.000 0.810 127 L CB 1.526 43.532 42.059 -0.090 0.000 1.231 127 L HN -0.076 nan 8.230 nan 0.000 0.423 128 D N 2.214 122.598 120.400 -0.027 0.000 2.346 128 D HA -0.018 4.602 4.640 -0.034 0.000 0.260 128 D C 0.894 177.199 176.300 0.009 0.000 1.252 128 D CA 0.181 54.177 54.000 -0.007 0.000 0.895 128 D CB 1.809 42.609 40.800 0.000 0.000 1.097 128 D HN 0.333 nan 8.370 nan 0.000 0.489 129 V N 4.168 124.096 119.914 0.023 0.000 2.453 129 V HA -0.280 3.820 4.120 -0.034 0.000 0.252 129 V C 2.123 178.261 176.094 0.074 0.000 1.068 129 V CA 2.901 65.241 62.300 0.067 0.000 1.070 129 V CB -0.426 31.452 31.823 0.091 0.000 0.664 129 V HN 0.721 nan 8.190 nan 0.000 0.461 130 S N -1.137 114.593 115.700 0.050 0.000 2.481 130 S HA -0.098 4.352 4.470 -0.034 0.000 0.231 130 S C 1.697 176.321 174.600 0.039 0.000 0.996 130 S CA 1.129 59.357 58.200 0.045 0.000 0.942 130 S CB -0.343 62.878 63.200 0.035 0.000 0.768 130 S HN 0.755 nan 8.310 nan 0.000 0.520 131 K N 0.589 121.008 120.400 0.032 0.000 2.358 131 K HA 0.306 4.605 4.320 -0.034 0.000 0.200 131 K C -0.669 175.945 176.600 0.023 0.000 1.030 131 K CA -0.071 56.226 56.287 0.017 0.000 1.097 131 K CB 0.957 33.459 32.500 0.002 0.000 0.862 131 K HN 0.195 nan 8.250 nan 0.000 0.534 132 V N 3.542 123.490 119.914 0.057 0.000 2.368 132 V HA 0.170 4.269 4.120 -0.034 0.000 0.266 132 V C 0.214 176.379 176.094 0.119 0.000 1.045 132 V CA -0.610 61.745 62.300 0.092 0.000 0.899 132 V CB 0.568 32.475 31.823 0.140 0.000 1.006 132 V HN 0.164 nan 8.190 nan 0.000 0.470 133 R N 3.459 124.011 120.500 0.087 0.000 2.459 133 R HA 0.629 4.948 4.340 -0.034 0.000 0.281 133 R C -0.810 175.583 176.300 0.155 0.000 1.050 133 R CA -0.479 55.661 56.100 0.068 0.000 1.055 133 R CB 1.804 32.076 30.300 -0.046 0.000 1.045 133 R HN 0.451 nan 8.270 nan 0.000 0.495 134 V N 1.726 121.723 119.914 0.138 0.000 2.483 134 V HA 0.420 4.519 4.120 -0.034 0.000 0.297 134 V C 0.034 176.238 176.094 0.183 0.000 1.027 134 V CA -1.230 61.181 62.300 0.185 0.000 0.855 134 V CB 1.706 33.575 31.823 0.076 0.000 0.995 134 V HN 0.861 nan 8.190 nan 0.000 0.424 135 A N 6.810 129.807 122.820 0.295 0.000 2.366 135 A HA 0.705 5.005 4.320 -0.034 0.000 0.272 135 A C -2.535 175.216 177.584 0.278 0.000 1.135 135 A CA -1.364 50.845 52.037 0.287 0.000 0.804 135 A CB 0.229 19.510 19.000 0.468 0.000 1.064 135 A HN 0.638 nan 8.150 nan 0.000 0.499 136 P HA 0.343 nan 4.420 nan 0.000 0.274 136 P C -1.005 176.513 177.300 0.364 0.000 1.470 136 P CA 0.170 63.460 63.100 0.316 0.000 1.001 136 P CB 0.237 32.233 31.700 0.493 0.000 1.332 137 L N 1.836 123.279 121.223 0.365 0.000 2.309 137 L HA 0.432 4.751 4.340 -0.034 0.000 0.282 137 L C 0.878 178.049 176.870 0.503 0.000 1.036 137 L CA -0.876 54.246 54.840 0.470 0.000 0.806 137 L CB 1.289 43.765 42.059 0.695 0.000 1.220 137 L HN 0.248 nan 8.230 nan 0.000 0.429 138 S N 1.212 117.275 115.700 0.606 0.000 2.563 138 S HA 0.158 4.608 4.470 -0.034 0.000 0.284 138 S C 0.911 175.782 174.600 0.452 0.000 1.331 138 S CA -0.064 58.396 58.200 0.434 0.000 1.047 138 S CB 1.355 64.842 63.200 0.478 0.000 0.859 138 S HN 0.750 nan 8.310 nan 0.000 0.514 139 A N 3.319 126.284 122.820 0.241 0.000 1.943 139 A HA 0.559 4.858 4.320 -0.034 0.000 0.213 139 A C 1.601 179.380 177.584 0.325 0.000 1.181 139 A CA 0.765 52.888 52.037 0.144 0.000 0.653 139 A CB -1.507 17.485 19.000 -0.013 0.000 0.833 139 A HN 2.335 nan 8.150 nan 0.000 0.451 140 G N -1.277 107.704 108.800 0.301 0.000 2.553 140 G HA2 0.012 3.951 3.960 -0.034 0.000 0.242 140 G HA3 0.012 3.951 3.960 -0.034 0.000 0.242 140 G C 0.030 174.996 174.900 0.111 0.000 1.277 140 G CA 0.702 45.979 45.100 0.295 0.000 0.910 140 G HN 1.850 nan 8.290 nan 0.000 0.576 141 V N -3.674 116.121 119.914 -0.198 0.000 2.509 141 V HA 0.789 4.889 4.120 -0.034 0.000 0.289 141 V C -0.887 174.793 176.094 -0.689 0.000 1.026 141 V CA -0.956 61.167 62.300 -0.294 0.000 0.872 141 V CB 1.012 32.680 31.823 -0.259 0.000 1.017 141 V HN 1.219 nan 8.190 nan 0.000 0.436 142 F N 4.921 124.765 119.950 -0.177 0.000 2.671 142 F HA 0.541 5.049 4.527 -0.032 0.000 0.332 142 F C 0.915 176.339 175.800 -0.628 0.000 1.189 142 F CA -0.460 57.341 58.000 -0.332 0.000 0.988 142 F CB 2.140 40.941 39.000 -0.331 0.000 1.258 142 F HN 0.833 nan 8.300 nan 0.000 0.471 143 E N 1.564 121.624 120.200 -0.234 0.000 2.495 143 E HA -0.333 3.996 4.350 -0.034 0.000 0.247 143 E C -1.310 175.225 176.600 -0.108 0.000 1.346 143 E CA 1.424 57.713 56.400 -0.185 0.000 0.705 143 E CB -2.050 27.572 29.700 -0.131 0.000 1.251 143 E HN 0.809 nan 8.360 nan 0.000 0.405 144 Y N -0.750 119.581 120.300 0.051 0.000 2.960 144 Y HA 0.545 5.074 4.550 -0.034 0.000 0.343 144 Y C 1.844 177.748 175.900 0.006 0.000 1.106 144 Y CA -0.496 57.623 58.100 0.031 0.000 1.221 144 Y CB 0.765 39.229 38.460 0.007 0.000 1.232 144 Y HN 0.172 nan 8.280 nan 0.000 0.577 145 A N 1.440 124.344 122.820 0.139 0.000 1.997 145 A HA -0.315 3.985 4.320 -0.034 0.000 0.221 145 A C 2.105 179.724 177.584 0.058 0.000 1.172 145 A CA 2.290 54.367 52.037 0.067 0.000 0.645 145 A CB -0.370 18.658 19.000 0.047 0.000 0.813 145 A HN 0.871 nan 8.150 nan 0.000 0.454 146 E N 0.001 120.247 120.200 0.077 0.000 2.160 146 E HA -0.248 4.082 4.350 -0.034 0.000 0.195 146 E C 1.563 178.182 176.600 0.032 0.000 0.991 146 E CA 1.431 57.857 56.400 0.044 0.000 0.810 146 E CB -0.427 29.295 29.700 0.038 0.000 0.742 146 E HN 0.790 nan 8.360 nan 0.000 0.466 147 E N 0.928 121.160 120.200 0.054 0.000 2.158 147 E HA -0.047 4.282 4.350 -0.034 0.000 0.191 147 E C 0.927 177.530 176.600 0.006 0.000 0.982 147 E CA -0.181 56.236 56.400 0.029 0.000 0.823 147 E CB -0.056 29.674 29.700 0.050 0.000 0.766 147 E HN 0.085 nan 8.360 nan 0.000 0.468 148 R N 0.974 121.477 120.500 0.005 0.000 2.485 148 R HA -0.104 4.215 4.340 -0.034 0.000 0.304 148 R C 0.624 176.901 176.300 -0.038 0.000 0.934 148 R CA 1.409 57.493 56.100 -0.028 0.000 1.102 148 R CB -0.201 30.080 30.300 -0.032 0.000 0.906 148 R HN 0.384 nan 8.270 nan 0.000 0.407 149 G N 4.134 112.901 108.800 -0.055 0.000 2.217 149 G HA2 -0.283 3.657 3.960 -0.034 0.000 0.246 149 G HA3 -0.283 3.657 3.960 -0.034 0.000 0.246 149 G C 0.068 174.941 174.900 -0.045 0.000 0.990 149 G CA 0.249 45.313 45.100 -0.059 0.000 0.627 149 G HN 0.618 nan 8.290 nan 0.000 0.522 150 R N -0.100 120.381 120.500 -0.032 0.000 2.598 150 R HA 0.623 4.942 4.340 -0.034 0.000 0.279 150 R C 0.286 176.574 176.300 -0.020 0.000 0.984 150 R CA -0.887 55.201 56.100 -0.020 0.000 0.999 150 R CB 1.154 31.447 30.300 -0.013 0.000 1.114 150 R HN 0.148 nan 8.270 nan 0.000 0.493 151 R N 3.076 123.571 120.500 -0.008 0.000 2.408 151 R HA 0.192 4.511 4.340 -0.034 0.000 0.308 151 R C -0.550 175.741 176.300 -0.016 0.000 1.210 151 R CA -0.192 55.900 56.100 -0.012 0.000 1.115 151 R CB 0.121 30.426 30.300 0.008 0.000 1.127 151 R HN 0.401 nan 8.270 nan 0.000 0.523 152 I N 4.929 125.487 120.570 -0.020 0.000 2.607 152 I HA 0.420 4.569 4.170 -0.034 0.000 0.305 152 I C 0.018 176.125 176.117 -0.017 0.000 0.995 152 I CA -1.005 60.281 61.300 -0.024 0.000 1.148 152 I CB 1.662 39.636 38.000 -0.044 0.000 1.323 152 I HN 0.562 nan 8.210 nan 0.000 0.461 153 L N 4.545 125.760 121.223 -0.012 0.000 2.445 153 L HA 0.501 4.820 4.340 -0.034 0.000 0.262 153 L C -0.341 176.528 176.870 -0.001 0.000 0.974 153 L CA -0.748 54.106 54.840 0.023 0.000 0.822 153 L CB 2.671 44.766 42.059 0.059 0.000 1.339 153 L HN 0.529 nan 8.230 nan 0.000 0.409 154 R N 0.878 121.368 120.500 -0.017 0.000 2.598 154 R HA 0.733 5.052 4.340 -0.034 0.000 0.279 154 R C -0.194 176.174 176.300 0.113 0.000 0.984 154 R CA -0.776 55.285 56.100 -0.065 0.000 0.999 154 R CB 1.946 31.881 30.300 -0.609 0.000 1.114 154 R HN 0.735 nan 8.270 nan 0.000 0.493 155 G N 2.141 111.016 108.800 0.124 0.000 2.590 155 G HA2 0.567 4.506 3.960 -0.034 0.000 0.310 155 G HA3 0.567 4.506 3.960 -0.034 0.000 0.310 155 G C -0.938 174.146 174.900 0.307 0.000 1.347 155 G CA -0.611 44.596 45.100 0.178 0.000 0.963 155 G HN 0.274 nan 8.290 nan 0.000 0.494 156 L N 1.537 123.009 121.223 0.413 0.000 2.346 156 L HA 0.718 5.037 4.340 -0.034 0.000 0.276 156 L C 0.534 177.549 176.870 0.242 0.000 1.006 156 L CA -1.013 54.049 54.840 0.370 0.000 0.817 156 L CB 2.150 44.513 42.059 0.506 0.000 1.272 156 L HN 0.630 nan 8.230 nan 0.000 0.421 157 A N 2.989 125.838 122.820 0.049 0.000 2.303 157 A HA 0.840 5.140 4.320 -0.034 0.000 0.317 157 A C -1.164 176.105 177.584 -0.525 0.000 1.149 157 A CA -0.163 51.873 52.037 -0.002 0.000 0.822 157 A CB 0.465 19.554 19.000 0.149 0.000 1.131 157 A HN 0.510 nan 8.150 nan 0.000 0.493 158 F N 0.767 120.703 119.950 -0.023 0.000 2.574 158 F HA 0.426 4.934 4.527 -0.031 0.000 0.313 158 F C -0.185 175.566 175.800 -0.081 0.000 1.130 158 F CA -0.683 57.252 58.000 -0.108 0.000 0.936 158 F CB 2.283 41.093 39.000 -0.318 0.000 1.219 158 F HN 0.313 nan 8.300 nan 0.000 0.445 159 V N 2.723 122.715 119.914 0.129 0.000 2.465 159 V HA 0.309 4.408 4.120 -0.034 0.000 0.279 159 V C -0.314 175.826 176.094 0.076 0.000 1.045 159 V CA -0.534 61.804 62.300 0.064 0.000 0.938 159 V CB 1.398 33.219 31.823 -0.004 0.000 0.986 159 V HN 0.769 nan 8.190 nan 0.000 0.467 160 Q N 2.963 122.753 119.800 -0.017 0.000 2.425 160 Q HA 0.229 4.548 4.340 -0.034 0.000 0.254 160 Q C 0.166 176.100 176.000 -0.110 0.000 1.032 160 Q CA -0.610 55.139 55.803 -0.090 0.000 0.798 160 Q CB 1.123 29.784 28.738 -0.128 0.000 1.210 160 Q HN 0.769 nan 8.270 nan 0.000 0.491 161 D N 3.369 123.679 120.400 -0.149 0.000 2.182 161 D HA -0.062 4.558 4.640 -0.034 0.000 0.201 161 D C 0.169 176.549 176.300 0.134 0.000 0.986 161 D CA 1.370 55.356 54.000 -0.022 0.000 0.847 161 D CB 0.096 40.942 40.800 0.076 0.000 0.942 161 D HN 0.449 nan 8.370 nan 0.000 0.467 162 F N -3.965 115.979 119.950 -0.011 0.000 2.711 162 F HA 0.379 4.881 4.527 -0.041 0.000 0.313 162 F C -2.205 173.585 175.800 -0.017 0.000 1.141 162 F CA -1.993 55.997 58.000 -0.017 0.000 0.941 162 F CB 0.524 39.509 39.000 -0.026 0.000 1.349 162 F HN -0.408 nan 8.300 nan 0.000 0.464 163 P HA -0.215 nan 4.420 nan 0.000 0.217 163 P C 0.371 177.679 177.300 0.013 0.000 1.151 163 P CA 2.077 65.218 63.100 0.068 0.000 0.849 163 P CB 0.210 31.970 31.700 0.100 0.000 0.787 164 E N -0.771 119.498 120.200 0.114 0.000 2.463 164 E HA 0.052 4.382 4.350 -0.034 0.000 0.193 164 E C 0.133 176.594 176.600 -0.232 0.000 1.041 164 E CA -0.318 56.101 56.400 0.031 0.000 0.879 164 E CB -0.065 29.745 29.700 0.184 0.000 0.997 164 E HN 0.271 nan 8.360 nan 0.000 0.478 165 D N 0.654 120.596 120.400 -0.764 0.000 2.341 165 D HA -0.001 4.619 4.640 -0.034 0.000 0.245 165 D C -0.520 175.536 176.300 -0.406 0.000 1.106 165 D CA 0.048 53.481 54.000 -0.946 0.000 0.905 165 D CB 1.161 41.077 40.800 -1.473 0.000 1.202 165 D HN -0.192 nan 8.370 nan 0.000 0.426 166 S N 2.323 117.867 115.700 -0.261 0.000 2.411 166 S HA 0.411 4.860 4.470 -0.034 0.000 0.304 166 S C 1.079 175.598 174.600 -0.134 0.000 1.098 166 S CA -0.233 57.894 58.200 -0.122 0.000 1.068 166 S CB 0.137 63.325 63.200 -0.021 0.000 1.032 166 S HN 0.515 nan 8.310 nan 0.000 0.511 167 A N 4.868 127.505 122.820 -0.305 0.000 2.076 167 A HA -0.058 4.241 4.320 -0.034 0.000 0.220 167 A C 1.421 178.850 177.584 -0.258 0.000 1.160 167 A CA 1.036 52.903 52.037 -0.284 0.000 0.653 167 A CB -0.742 17.995 19.000 -0.438 0.000 0.801 167 A HN 0.993 nan 8.150 nan 0.000 0.455 168 W N -0.233 121.025 121.300 -0.069 0.000 2.387 168 W HA 0.012 4.656 4.660 -0.026 0.000 0.272 168 W C 2.374 178.989 176.519 0.159 0.000 1.224 168 W CA 0.733 58.033 57.345 -0.075 0.000 1.210 168 W CB -0.162 29.256 29.460 -0.070 0.000 1.125 168 W HN 0.370 nan 8.180 nan 0.000 0.572 169 A N -0.493 122.482 122.820 0.258 0.000 2.167 169 A HA -0.057 4.243 4.320 -0.034 0.000 0.214 169 A C 0.158 177.577 177.584 -0.275 0.000 1.151 169 A CA 0.781 52.853 52.037 0.058 0.000 0.735 169 A CB -0.841 18.137 19.000 -0.035 0.000 0.802 169 A HN 0.480 nan 8.150 nan 0.000 0.467 170 H N -0.141 119.049 119.070 0.199 0.000 2.386 170 H HA 0.266 4.813 4.556 -0.015 0.000 0.232 170 H C -2.800 172.572 175.328 0.074 0.000 1.416 170 H CA -2.017 54.095 56.048 0.107 0.000 1.285 170 H CB 0.412 30.214 29.762 0.067 0.000 1.625 170 H HN 0.286 nan 8.280 nan 0.000 0.521 171 P HA 0.002 nan 4.420 nan 0.000 0.275 171 P C -0.017 177.144 177.300 -0.232 0.000 1.227 171 P CA -0.266 62.695 63.100 -0.231 0.000 0.781 171 P CB 2.169 33.779 31.700 -0.150 0.000 0.906 172 V N 3.589 123.285 119.914 -0.364 0.000 2.259 172 V HA 0.142 4.242 4.120 -0.034 0.000 0.267 172 V C 0.718 176.671 176.094 -0.235 0.000 1.051 172 V CA -0.268 61.897 62.300 -0.224 0.000 0.830 172 V CB 0.186 31.881 31.823 -0.214 0.000 1.080 172 V HN 0.540 nan 8.190 nan 0.000 0.467 173 D N 3.075 123.334 120.400 -0.235 0.000 2.377 173 D HA 0.373 4.992 4.640 -0.034 0.000 0.245 173 D C 1.343 177.488 176.300 -0.258 0.000 1.196 173 D CA 1.362 55.117 54.000 -0.408 0.000 0.962 173 D CB 1.672 41.959 40.800 -0.856 0.000 1.127 173 D HN 0.736 nan 8.370 nan 0.000 0.471 174 G N 0.113 108.721 108.800 -0.320 0.000 2.168 174 G HA2 -0.227 3.712 3.960 -0.034 0.000 0.263 174 G HA3 -0.227 3.712 3.960 -0.034 0.000 0.263 174 G C -0.069 174.866 174.900 0.059 0.000 0.977 174 G CA 0.703 45.859 45.100 0.095 0.000 0.659 174 G HN 0.481 nan 8.290 nan 0.000 0.533 175 L N -0.141 121.078 121.223 -0.007 0.000 2.436 175 L HA 0.912 5.232 4.340 -0.034 0.000 0.268 175 L C -0.730 176.207 176.870 0.111 0.000 0.974 175 L CA -1.074 53.768 54.840 0.004 0.000 0.826 175 L CB 2.407 44.389 42.059 -0.128 0.000 1.291 175 L HN 0.639 nan 8.230 nan 0.000 0.406 176 V N 4.069 124.078 119.914 0.159 0.000 2.969 176 V HA 0.969 5.069 4.120 -0.034 0.000 0.304 176 V C -1.337 174.805 176.094 0.080 0.000 1.192 176 V CA 0.329 62.761 62.300 0.219 0.000 0.962 176 V CB 2.061 34.045 31.823 0.267 0.000 1.045 176 V HN 1.210 nan 8.190 nan 0.000 0.428 177 A N 5.030 127.896 122.820 0.076 0.000 2.413 177 A HA 0.972 5.271 4.320 -0.034 0.000 0.307 177 A C -2.032 175.526 177.584 -0.045 0.000 1.087 177 A CA -0.469 51.498 52.037 -0.116 0.000 0.750 177 A CB 1.711 20.632 19.000 -0.131 0.000 1.296 177 A HN 0.870 nan 8.150 nan 0.000 0.423 178 Y N 0.468 120.672 120.300 -0.160 0.000 2.364 178 Y HA 0.566 5.097 4.550 -0.032 0.000 0.340 178 Y C 0.256 176.066 175.900 -0.150 0.000 0.975 178 Y CA -1.496 56.488 58.100 -0.193 0.000 1.089 178 Y CB 1.655 39.968 38.460 -0.244 0.000 1.192 178 Y HN 0.748 nan 8.280 nan 0.000 0.454 179 V N -0.803 119.129 119.914 0.030 0.000 2.962 179 V HA 0.622 4.721 4.120 -0.034 0.000 0.313 179 V C -0.982 175.104 176.094 -0.012 0.000 1.099 179 V CA -0.889 61.400 62.300 -0.018 0.000 0.971 179 V CB 2.603 34.391 31.823 -0.057 0.000 1.028 179 V HN 0.697 nan 8.190 nan 0.000 0.430 180 D N 2.277 122.668 120.400 -0.015 0.000 2.373 180 D HA 0.300 4.919 4.640 -0.034 0.000 0.227 180 D C 1.002 177.298 176.300 -0.007 0.000 1.091 180 D CA -0.043 53.952 54.000 -0.009 0.000 0.840 180 D CB 2.016 42.811 40.800 -0.007 0.000 1.060 180 D HN 0.777 nan 8.370 nan 0.000 0.502 181 V N 2.506 122.417 119.914 -0.004 0.000 3.305 181 V HA -0.090 4.010 4.120 -0.034 0.000 0.269 181 V C 1.629 177.738 176.094 0.024 0.000 1.157 181 V CA 1.304 63.604 62.300 -0.001 0.000 1.157 181 V CB -0.719 31.093 31.823 -0.019 0.000 0.772 181 V HN 0.485 nan 8.190 nan 0.000 0.498 182 V N -1.107 118.828 119.914 0.035 0.000 2.690 182 V HA 0.106 4.206 4.120 -0.034 0.000 0.240 182 V C 2.463 178.572 176.094 0.025 0.000 1.078 182 V CA 1.372 63.705 62.300 0.054 0.000 1.102 182 V CB -0.573 31.291 31.823 0.068 0.000 0.800 182 V HN 0.572 nan 8.190 nan 0.000 0.479 183 S N -0.490 115.217 115.700 0.012 0.000 2.562 183 S HA 0.101 4.551 4.470 -0.034 0.000 0.221 183 S C 0.861 175.462 174.600 0.001 0.000 0.975 183 S CA 0.251 58.453 58.200 0.003 0.000 0.918 183 S CB -0.798 62.401 63.200 -0.002 0.000 0.772 183 S HN 0.685 nan 8.310 nan 0.000 0.531 184 K N 1.829 122.230 120.400 0.002 0.000 4.007 184 K HA -0.183 4.117 4.320 -0.034 0.000 0.279 184 K C -0.623 175.970 176.600 -0.012 0.000 0.919 184 K CA 1.162 57.446 56.287 -0.005 0.000 0.800 184 K CB -1.769 30.731 32.500 0.001 0.000 1.572 184 K HN 0.946 nan 8.250 nan 0.000 0.443 185 E N -1.535 118.655 120.200 -0.017 0.000 2.352 185 E HA 0.331 4.661 4.350 -0.034 0.000 0.280 185 E C -0.709 175.873 176.600 -0.030 0.000 0.930 185 E CA -1.218 55.170 56.400 -0.021 0.000 0.765 185 E CB 1.582 31.273 29.700 -0.014 0.000 1.219 185 E HN -0.036 nan 8.360 nan 0.000 0.434 186 V N 3.450 123.341 119.914 -0.039 0.000 2.381 186 V HA -0.008 4.091 4.120 -0.034 0.000 0.257 186 V C 1.683 177.753 176.094 -0.038 0.000 1.057 186 V CA 0.758 63.027 62.300 -0.051 0.000 1.013 186 V CB -0.096 31.690 31.823 -0.062 0.000 1.069 186 V HN 0.982 nan 8.190 nan 0.000 0.484 187 T N 2.424 116.961 114.554 -0.028 0.000 2.833 187 T HA -0.094 4.235 4.350 -0.034 0.000 0.269 187 T C 0.838 175.506 174.700 -0.053 0.000 1.054 187 T CA 0.950 63.036 62.100 -0.024 0.000 1.135 187 T CB 0.312 69.178 68.868 -0.003 0.000 0.869 187 T HN 0.566 nan 8.240 nan 0.000 0.466 188 R N -1.157 119.286 120.500 -0.094 0.000 2.709 188 R HA 0.547 4.866 4.340 -0.034 0.000 0.270 188 R C -2.574 173.573 176.300 -0.255 0.000 1.038 188 R CA -0.683 55.304 56.100 -0.189 0.000 0.872 188 R CB 1.907 32.036 30.300 -0.284 0.000 1.259 188 R HN 0.079 nan 8.270 nan 0.000 0.473 189 V N 4.570 124.362 119.914 -0.203 0.000 2.567 189 V HA 0.458 4.557 4.120 -0.034 0.000 0.298 189 V C -0.637 175.378 176.094 -0.133 0.000 1.047 189 V CA -0.800 61.432 62.300 -0.114 0.000 0.880 189 V CB 1.785 33.638 31.823 0.051 0.000 1.009 189 V HN 0.515 nan 8.190 nan 0.000 0.429 190 I N 3.779 124.250 120.570 -0.165 0.000 2.354 190 I HA 0.490 4.640 4.170 -0.034 0.000 0.292 190 I C -0.391 175.711 176.117 -0.024 0.000 0.989 190 I CA -0.055 61.182 61.300 -0.104 0.000 1.188 190 I CB 1.703 39.626 38.000 -0.129 0.000 1.342 190 I HN 0.598 nan 8.210 nan 0.000 0.457 191 D N 4.858 125.251 120.400 -0.012 0.000 2.420 191 D HA 0.161 4.780 4.640 -0.034 0.000 0.255 191 D C 0.977 177.293 176.300 0.026 0.000 1.185 191 D CA -0.174 53.827 54.000 0.001 0.000 0.904 191 D CB 1.408 42.193 40.800 -0.026 0.000 1.102 191 D HN 0.643 nan 8.370 nan 0.000 0.534 192 T N 0.153 114.748 114.554 0.068 0.000 3.113 192 T HA 0.425 4.754 4.350 -0.034 0.000 0.256 192 T C 0.951 175.701 174.700 0.083 0.000 1.131 192 T CA 0.403 62.556 62.100 0.087 0.000 1.074 192 T CB 0.298 69.246 68.868 0.133 0.000 0.944 192 T HN 0.526 nan 8.240 nan 0.000 0.516 193 G N -0.044 108.806 108.800 0.084 0.000 2.333 193 G HA2 0.319 4.258 3.960 -0.034 0.000 0.330 193 G HA3 0.319 4.258 3.960 -0.034 0.000 0.330 193 G C -1.436 173.495 174.900 0.053 0.000 1.465 193 G CA -0.693 44.413 45.100 0.009 0.000 0.996 193 G HN 0.285 nan 8.290 nan 0.000 0.655 194 V N 0.688 120.567 119.914 -0.058 0.000 2.498 194 V HA 0.658 4.758 4.120 -0.034 0.000 0.279 194 V C -0.277 175.756 176.094 -0.102 0.000 1.048 194 V CA 0.008 62.299 62.300 -0.015 0.000 0.967 194 V CB 0.750 32.541 31.823 -0.054 0.000 0.988 194 V HN 0.526 nan 8.190 nan 0.000 0.473 195 F N 4.435 124.351 119.950 -0.057 0.000 2.532 195 F HA 0.577 5.076 4.527 -0.047 0.000 0.321 195 F C -2.025 173.750 175.800 -0.041 0.000 1.089 195 F CA -2.603 55.369 58.000 -0.047 0.000 0.926 195 F CB 1.549 40.520 39.000 -0.048 0.000 1.168 195 F HN 0.327 nan 8.300 nan 0.000 0.459 196 P HA 0.118 nan 4.420 nan 0.000 0.268 196 P C -0.854 176.502 177.300 0.093 0.000 1.204 196 P CA -0.147 63.001 63.100 0.081 0.000 0.768 196 P CB 0.538 32.276 31.700 0.063 0.000 0.842 197 V N 6.786 126.736 119.914 0.060 0.000 2.408 197 V HA 0.150 4.249 4.120 -0.034 0.000 0.267 197 V C -1.836 174.315 176.094 0.096 0.000 1.047 197 V CA -1.519 60.818 62.300 0.061 0.000 0.937 197 V CB 0.373 32.214 31.823 0.031 0.000 0.999 197 V HN 0.583 nan 8.190 nan 0.000 0.472 198 P HA -0.008 nan 4.420 nan 0.000 0.259 198 P C 0.473 177.922 177.300 0.249 0.000 1.163 198 P CA 0.433 63.608 63.100 0.126 0.000 0.760 198 P CB 0.717 32.451 31.700 0.057 0.000 0.762 199 A N 3.523 126.456 122.820 0.187 0.000 1.984 199 A HA -0.025 4.275 4.320 -0.034 0.000 0.214 199 A C 0.918 178.676 177.584 0.290 0.000 1.173 199 A CA 0.483 52.644 52.037 0.206 0.000 0.673 199 A CB -0.502 18.565 19.000 0.111 0.000 0.830 199 A HN 0.555 nan 8.150 nan 0.000 0.453 200 E N 0.680 121.004 120.200 0.206 0.000 2.452 200 E HA 0.158 4.488 4.350 -0.034 0.000 0.261 200 E C -0.221 176.536 176.600 0.261 0.000 0.987 200 E CA 0.002 56.503 56.400 0.169 0.000 0.926 200 E CB 0.283 30.040 29.700 0.096 0.000 0.934 200 E HN 0.756 nan 8.360 nan 0.000 0.452 201 H N 0.138 119.379 119.070 0.284 0.000 2.508 201 H HA 0.493 5.026 4.556 -0.039 0.000 0.358 201 H C 0.427 175.875 175.328 0.200 0.000 1.212 201 H CA -0.807 55.384 56.048 0.239 0.000 1.356 201 H CB 1.228 31.142 29.762 0.253 0.000 1.525 201 H HN 0.449 nan 8.280 nan 0.000 0.578 202 G N 1.228 110.234 108.800 0.344 0.000 4.637 202 G HA2 0.061 4.000 3.960 -0.034 0.000 0.294 202 G HA3 0.061 4.000 3.960 -0.034 0.000 0.294 202 G C -0.705 174.210 174.900 0.025 0.000 1.215 202 G CA -0.677 44.491 45.100 0.114 0.000 0.943 202 G HN 0.633 nan 8.290 nan 0.000 0.572 203 N N 1.774 120.612 118.700 0.229 0.000 2.555 203 N HA 0.097 4.816 4.740 -0.034 0.000 0.244 203 N C 0.778 176.198 175.510 -0.150 0.000 1.114 203 N CA -0.383 52.565 53.050 -0.169 0.000 0.963 203 N CB 0.586 38.965 38.487 -0.180 0.000 1.276 203 N HN 0.561 nan 8.380 nan 0.000 0.510 204 Y N -0.320 119.967 120.300 -0.021 0.000 2.680 204 Y HA -0.021 4.509 4.550 -0.033 0.000 0.303 204 Y C 1.634 177.526 175.900 -0.012 0.000 1.166 204 Y CA 0.219 58.294 58.100 -0.042 0.000 1.344 204 Y CB -0.669 37.726 38.460 -0.108 0.000 1.002 204 Y HN 0.280 nan 8.280 nan 0.000 0.537 205 T N -4.210 110.307 114.554 -0.063 0.000 3.085 205 T HA 0.079 4.408 4.350 -0.034 0.000 0.264 205 T C -0.028 174.670 174.700 -0.005 0.000 1.019 205 T CA -0.328 61.774 62.100 0.002 0.000 0.910 205 T CB -0.103 68.752 68.868 -0.021 0.000 1.059 205 T HN 0.203 nan 8.240 nan 0.000 0.542 206 D N 2.593 122.992 120.400 -0.002 0.000 2.325 206 D HA 0.272 4.891 4.640 -0.034 0.000 0.251 206 D C -1.657 174.674 176.300 0.052 0.000 1.196 206 D CA -2.398 51.610 54.000 0.012 0.000 0.866 206 D CB 1.937 42.736 40.800 -0.001 0.000 1.101 206 D HN -0.032 nan 8.370 nan 0.000 0.476 207 P HA -0.197 nan 4.420 nan 0.000 0.217 207 P C 0.983 178.315 177.300 0.053 0.000 1.148 207 P CA 1.401 64.524 63.100 0.037 0.000 0.834 207 P CB 0.109 31.822 31.700 0.021 0.000 0.783 208 E N -1.126 119.117 120.200 0.071 0.000 2.204 208 E HA -0.152 4.177 4.350 -0.034 0.000 0.194 208 E C 1.771 178.432 176.600 0.103 0.000 0.989 208 E CA 0.762 57.215 56.400 0.088 0.000 0.824 208 E CB -0.856 28.913 29.700 0.114 0.000 0.756 208 E HN 0.183 nan 8.360 nan 0.000 0.477 209 L N 1.513 122.815 121.223 0.132 0.000 2.221 209 L HA 0.041 4.360 4.340 -0.034 0.000 0.202 209 L C 2.406 179.321 176.870 0.075 0.000 1.074 209 L CA 2.000 56.907 54.840 0.112 0.000 0.795 209 L CB -0.324 41.842 42.059 0.177 0.000 0.960 209 L HN 0.312 nan 8.230 nan 0.000 0.458 210 T N -2.513 112.086 114.554 0.074 0.000 2.904 210 T HA 0.355 4.685 4.350 -0.034 0.000 0.267 210 T C 1.205 175.930 174.700 0.041 0.000 1.059 210 T CA 0.554 62.687 62.100 0.055 0.000 1.137 210 T CB -0.868 68.032 68.868 0.054 0.000 0.879 210 T HN 0.768 nan 8.240 nan 0.000 0.467 211 G N 1.857 110.682 108.800 0.042 0.000 2.782 211 G HA2 -0.048 3.891 3.960 -0.034 0.000 0.228 211 G HA3 -0.048 3.891 3.960 -0.034 0.000 0.228 211 G C -2.894 172.021 174.900 0.026 0.000 1.372 211 G CA -0.745 44.375 45.100 0.033 0.000 0.862 211 G HN 0.509 nan 8.290 nan 0.000 0.547 212 P HA 0.398 nan 4.420 nan 0.000 0.267 212 P C 0.169 177.479 177.300 0.016 0.000 1.209 212 P CA -0.412 62.698 63.100 0.017 0.000 0.763 212 P CB 0.424 32.132 31.700 0.014 0.000 0.816 213 L N 4.107 125.339 121.223 0.015 0.000 2.499 213 L HA 0.067 4.387 4.340 -0.034 0.000 0.273 213 L C 1.475 178.351 176.870 0.010 0.000 1.195 213 L CA 0.391 55.239 54.840 0.013 0.000 0.882 213 L CB -0.264 41.803 42.059 0.013 0.000 1.133 213 L HN 0.431 nan 8.230 nan 0.000 0.483 214 R N 0.858 121.363 120.500 0.008 0.000 2.679 214 R HA 0.208 4.528 4.340 -0.034 0.000 0.268 214 R C 0.210 176.513 176.300 0.005 0.000 1.044 214 R CA 0.411 56.514 56.100 0.006 0.000 1.105 214 R CB -0.164 30.139 30.300 0.004 0.000 0.989 214 R HN 0.733 nan 8.270 nan 0.000 0.447 215 T N -2.928 111.629 114.554 0.004 0.000 3.182 215 T HA 0.038 4.368 4.350 -0.034 0.000 0.277 215 T C 1.028 175.729 174.700 0.002 0.000 1.013 215 T CA -0.011 62.091 62.100 0.003 0.000 0.900 215 T CB 0.286 69.156 68.868 0.003 0.000 1.098 215 T HN 0.756 nan 8.240 nan 0.000 0.543 216 T N -0.883 113.671 114.554 0.001 0.000 3.081 216 T HA 0.171 4.500 4.350 -0.034 0.000 0.250 216 T C 0.660 175.360 174.700 -0.001 0.000 1.100 216 T CA -0.182 61.918 62.100 -0.000 0.000 1.038 216 T CB -0.273 68.595 68.868 -0.001 0.000 0.962 216 T HN 0.442 nan 8.240 nan 0.000 0.516 217 Q N 2.216 122.016 119.800 -0.001 0.000 2.361 217 Q HA 0.284 4.604 4.340 -0.034 0.000 0.250 217 Q C -0.404 175.595 176.000 -0.001 0.000 1.023 217 Q CA -0.396 55.406 55.803 -0.002 0.000 0.915 217 Q CB 0.800 29.537 28.738 -0.002 0.000 1.238 217 Q HN 0.174 nan 8.270 nan 0.000 0.451 218 K N 3.511 123.910 120.400 -0.001 0.000 2.154 218 K HA 0.347 4.647 4.320 -0.034 0.000 0.264 218 K C -1.908 174.692 176.600 0.000 0.000 1.008 218 K CA -1.738 54.548 56.287 -0.000 0.000 0.937 218 K CB 0.157 32.657 32.500 -0.001 0.000 1.002 218 K HN 0.487 nan 8.250 nan 0.000 0.469 219 P HA 0.199 nan 4.420 nan 0.000 0.269 219 P C -0.478 176.825 177.300 0.004 0.000 1.215 219 P CA -0.166 62.936 63.100 0.004 0.000 0.780 219 P CB 0.615 32.318 31.700 0.005 0.000 0.898 220 I N 1.174 121.748 120.570 0.006 0.000 2.382 220 I HA 0.149 4.298 4.170 -0.034 0.000 0.285 220 I C 0.428 176.552 176.117 0.012 0.000 1.007 220 I CA -0.446 60.858 61.300 0.008 0.000 1.142 220 I CB 1.154 39.158 38.000 0.008 0.000 1.289 220 I HN 0.312 nan 8.210 nan 0.000 0.453 221 S N 7.629 123.337 115.700 0.013 0.000 2.429 221 S HA 0.617 5.066 4.470 -0.034 0.000 0.302 221 S C -0.504 174.109 174.600 0.022 0.000 1.115 221 S CA -0.565 57.644 58.200 0.016 0.000 1.095 221 S CB 0.344 63.552 63.200 0.014 0.000 0.987 221 S HN 0.332 nan 8.310 nan 0.000 0.474 222 I N 5.773 126.359 120.570 0.026 0.000 2.382 222 I HA 0.384 4.534 4.170 -0.034 0.000 0.285 222 I C 0.456 176.595 176.117 0.036 0.000 1.007 222 I CA -0.346 60.977 61.300 0.037 0.000 1.142 222 I CB 0.530 38.558 38.000 0.047 0.000 1.289 222 I HN 0.735 nan 8.210 nan 0.000 0.453 223 T N 2.713 117.289 114.554 0.038 0.000 2.883 223 T HA 0.610 4.939 4.350 -0.034 0.000 0.296 223 T C -0.589 174.134 174.700 0.039 0.000 1.117 223 T CA -0.839 61.281 62.100 0.034 0.000 1.006 223 T CB 2.608 71.491 68.868 0.025 0.000 1.191 223 T HN 0.487 nan 8.240 nan 0.000 0.508 224 Q N 1.645 121.465 119.800 0.033 0.000 2.674 224 Q HA 0.271 4.591 4.340 -0.034 0.000 0.249 224 Q C -1.840 174.170 176.000 0.016 0.000 1.011 224 Q CA -2.097 53.725 55.803 0.031 0.000 0.734 224 Q CB 1.986 30.744 28.738 0.034 0.000 1.201 224 Q HN 0.578 nan 8.270 nan 0.000 0.498 225 P HA -0.201 nan 4.420 nan 0.000 0.218 225 P C 0.046 177.349 177.300 0.005 0.000 1.146 225 P CA 1.381 64.487 63.100 0.010 0.000 0.813 225 P CB 0.480 32.187 31.700 0.011 0.000 0.778 226 E N -0.601 119.601 120.200 0.003 0.000 2.548 226 E HA 0.384 4.713 4.350 -0.034 0.000 0.206 226 E C 0.819 177.408 176.600 -0.018 0.000 1.005 226 E CA -0.007 56.390 56.400 -0.004 0.000 0.951 226 E CB 0.386 30.086 29.700 -0.000 0.000 1.035 226 E HN 0.213 nan 8.360 nan 0.000 0.470 227 G N 3.124 111.911 108.800 -0.023 0.000 2.795 227 G HA2 -0.186 3.753 3.960 -0.034 0.000 0.664 227 G HA3 -0.186 3.753 3.960 -0.034 0.000 0.664 227 G C -2.746 172.106 174.900 -0.081 0.000 1.381 227 G CA -0.914 44.152 45.100 -0.057 0.000 0.853 227 G HN -0.004 nan 8.290 nan 0.000 0.545 228 P HA 0.342 nan 4.420 nan 0.000 0.274 228 P C 0.627 177.808 177.300 -0.198 0.000 1.237 228 P CA 0.103 63.040 63.100 -0.271 0.000 0.793 228 P CB 1.218 32.417 31.700 -0.835 0.000 0.977 229 S N 0.071 115.792 115.700 0.036 0.000 2.558 229 S HA 0.105 4.554 4.470 -0.034 0.000 0.217 229 S C 0.712 175.472 174.600 0.268 0.000 0.975 229 S CA 0.130 58.422 58.200 0.155 0.000 0.912 229 S CB -0.751 62.599 63.200 0.251 0.000 0.776 229 S HN 0.571 nan 8.310 nan 0.000 0.526 230 F N 2.092 122.242 119.950 0.333 0.000 2.399 230 F HA 0.737 5.243 4.527 -0.034 0.000 0.328 230 F C 0.153 176.042 175.800 0.148 0.000 1.084 230 F CA -1.135 57.043 58.000 0.297 0.000 1.053 230 F CB 0.357 39.506 39.000 0.248 0.000 1.209 230 F HN -0.140 nan 8.300 nan 0.000 0.502 231 T N 0.005 114.754 114.554 0.326 0.000 2.885 231 T HA 0.746 5.075 4.350 -0.034 0.000 0.285 231 T C -1.113 173.748 174.700 0.267 0.000 1.019 231 T CA -0.799 61.420 62.100 0.197 0.000 1.010 231 T CB 1.494 70.445 68.868 0.139 0.000 1.022 231 T HN 0.683 nan 8.240 nan 0.000 0.466 232 V N 3.409 123.451 119.914 0.213 0.000 2.444 232 V HA 0.730 4.830 4.120 -0.034 0.000 0.294 232 V C 0.376 176.564 176.094 0.157 0.000 1.022 232 V CA -0.624 61.793 62.300 0.195 0.000 0.850 232 V CB 1.255 33.197 31.823 0.198 0.000 0.992 232 V HN 1.308 nan 8.190 nan 0.000 0.426 233 T N 0.064 114.726 114.554 0.181 0.000 2.901 233 T HA 0.686 5.015 4.350 -0.034 0.000 0.293 233 T C 0.811 175.602 174.700 0.153 0.000 1.084 233 T CA -0.053 62.138 62.100 0.152 0.000 1.008 233 T CB 1.774 70.731 68.868 0.148 0.000 1.170 233 T HN 1.754 nan 8.240 nan 0.000 0.509 234 G N -0.249 108.611 108.800 0.100 0.000 2.233 234 G HA2 0.099 4.038 3.960 -0.034 0.000 0.270 234 G HA3 0.099 4.038 3.960 -0.034 0.000 0.270 234 G C 1.381 176.337 174.900 0.095 0.000 1.011 234 G CA 1.078 46.230 45.100 0.086 0.000 0.762 234 G HN 2.440 nan 8.290 nan 0.000 0.511 235 G N -0.150 108.706 108.800 0.093 0.000 2.396 235 G HA2 -0.270 3.669 3.960 -0.034 0.000 0.242 235 G HA3 -0.270 3.669 3.960 -0.034 0.000 0.242 235 G C 0.836 175.790 174.900 0.089 0.000 1.069 235 G CA 1.339 46.489 45.100 0.083 0.000 0.633 235 G HN 2.238 nan 8.290 nan 0.000 0.517 236 N N -0.355 118.410 118.700 0.109 0.000 2.193 236 N HA 0.162 4.881 4.740 -0.034 0.000 0.236 236 N C -0.383 175.190 175.510 0.104 0.000 1.347 236 N CA 0.327 53.432 53.050 0.092 0.000 0.812 236 N CB -0.321 38.216 38.487 0.083 0.000 1.297 236 N HN 0.552 nan 8.380 nan 0.000 0.499 237 H N 1.410 120.516 119.070 0.060 0.000 2.552 237 H HA 0.483 5.018 4.556 -0.034 0.000 0.311 237 H C -0.447 174.925 175.328 0.072 0.000 1.071 237 H CA -0.332 55.750 56.048 0.057 0.000 1.307 237 H CB 0.549 30.349 29.762 0.062 0.000 1.416 237 H HN 0.010 nan 8.280 nan 0.000 0.464 238 I N 4.667 124.977 120.570 -0.432 0.000 2.460 238 I HA 0.280 4.429 4.170 -0.034 0.000 0.298 238 I C -0.079 175.906 176.117 -0.220 0.000 0.989 238 I CA -0.577 60.595 61.300 -0.213 0.000 1.173 238 I CB 1.536 39.433 38.000 -0.172 0.000 1.338 238 I HN 0.718 nan 8.210 nan 0.000 0.456 239 E N 5.045 125.282 120.200 0.062 0.000 2.265 239 E HA 0.342 4.672 4.350 -0.034 0.000 0.262 239 E C -1.837 174.959 176.600 0.327 0.000 0.889 239 E CA -0.578 55.914 56.400 0.153 0.000 0.789 239 E CB 2.637 32.431 29.700 0.157 0.000 1.221 239 E HN 0.567 nan 8.360 nan 0.000 0.414 240 W N 3.922 125.293 121.300 0.118 0.000 3.326 240 W HA 0.165 4.805 4.660 -0.034 0.000 0.333 240 W C -0.643 175.980 176.519 0.175 0.000 1.108 240 W CA -0.395 57.049 57.345 0.164 0.000 1.245 240 W CB 0.984 30.541 29.460 0.163 0.000 1.331 240 W HN 0.343 nan 8.180 nan 0.000 0.464 241 E N 5.866 125.724 120.200 -0.570 0.000 2.149 241 E HA -0.323 4.007 4.350 -0.034 0.000 0.191 241 E C 0.548 176.850 176.600 -0.497 0.000 1.384 241 E CA 1.878 57.872 56.400 -0.677 0.000 0.698 241 E CB -1.022 27.886 29.700 -1.321 0.000 1.086 241 E HN 0.895 nan 8.360 nan 0.000 0.338 242 K N -3.812 116.325 120.400 -0.439 0.000 3.609 242 K HA -0.246 4.054 4.320 -0.034 0.000 0.277 242 K C 0.163 176.319 176.600 -0.740 0.000 1.196 242 K CA 1.751 57.601 56.287 -0.728 0.000 1.022 242 K CB -1.398 30.329 32.500 -1.287 0.000 1.292 242 K HN 0.268 nan 8.250 nan 0.000 0.484 243 W N 1.754 122.864 121.300 -0.317 0.000 2.251 243 W HA 0.416 5.056 4.660 -0.034 0.000 0.329 243 W C 0.668 177.171 176.519 -0.026 0.000 1.234 243 W CA -0.065 57.242 57.345 -0.063 0.000 1.228 243 W CB 1.399 30.969 29.460 0.183 0.000 1.135 243 W HN -0.001 nan 8.180 nan 0.000 0.576 244 S N 4.182 120.049 115.700 0.278 0.000 2.575 244 S HA 0.817 5.267 4.470 -0.034 0.000 0.278 244 S C -1.136 173.495 174.600 0.052 0.000 1.139 244 S CA -0.742 57.521 58.200 0.105 0.000 0.954 244 S CB 0.119 63.402 63.200 0.138 0.000 1.054 244 S HN 0.566 nan 8.310 nan 0.000 0.483 245 L N 1.107 122.243 121.223 -0.146 0.000 2.940 245 L HA 0.763 5.082 4.340 -0.034 0.000 0.270 245 L C -2.079 174.675 176.870 -0.193 0.000 1.030 245 L CA -1.048 53.712 54.840 -0.134 0.000 0.928 245 L CB 1.700 43.679 42.059 -0.132 0.000 1.506 245 L HN 0.390 nan 8.230 nan 0.000 0.405 246 D N 1.454 121.798 120.400 -0.094 0.000 2.391 246 D HA 0.454 5.073 4.640 -0.034 0.000 0.245 246 D C -0.772 175.530 176.300 0.004 0.000 1.069 246 D CA -0.255 53.747 54.000 0.002 0.000 0.831 246 D CB 3.167 44.006 40.800 0.066 0.000 1.204 246 D HN 0.368 nan 8.370 nan 0.000 0.503 247 V N 2.348 122.260 119.914 -0.003 0.000 2.353 247 V HA 0.456 4.556 4.120 -0.034 0.000 0.264 247 V C 0.993 177.132 176.094 0.076 0.000 1.049 247 V CA -0.345 61.943 62.300 -0.020 0.000 0.896 247 V CB 0.958 32.750 31.823 -0.053 0.000 1.025 247 V HN 0.582 nan 8.190 nan 0.000 0.475 248 G N 3.168 112.042 108.800 0.124 0.000 2.521 248 G HA2 0.710 4.650 3.960 -0.034 0.000 0.323 248 G HA3 0.710 4.650 3.960 -0.034 0.000 0.323 248 G C -1.529 173.463 174.900 0.153 0.000 1.211 248 G CA -0.483 44.732 45.100 0.192 0.000 0.979 248 G HN 0.467 nan 8.290 nan 0.000 0.490 249 F N -0.088 119.839 119.950 -0.039 0.000 2.588 249 F HA 0.512 5.018 4.527 -0.035 0.000 0.314 249 F C -1.446 174.300 175.800 -0.090 0.000 1.134 249 F CA -0.933 56.996 58.000 -0.118 0.000 0.961 249 F CB 2.573 41.489 39.000 -0.141 0.000 1.239 249 F HN 0.520 nan 8.300 nan 0.000 0.448 250 D N 3.602 123.571 120.400 -0.719 0.000 2.619 250 D HA 0.308 4.928 4.640 -0.034 0.000 0.241 250 D C 0.178 176.085 176.300 -0.655 0.000 1.087 250 D CA -0.545 53.189 54.000 -0.443 0.000 0.851 250 D CB 2.445 43.128 40.800 -0.196 0.000 1.474 250 D HN 0.379 nan 8.370 nan 0.000 0.478 251 V N 4.171 123.904 119.914 -0.301 0.000 2.594 251 V HA -0.110 3.990 4.120 -0.034 0.000 0.253 251 V C 1.945 177.964 176.094 -0.125 0.000 1.069 251 V CA 2.130 64.309 62.300 -0.202 0.000 1.082 251 V CB -0.359 31.396 31.823 -0.112 0.000 0.680 251 V HN 0.620 nan 8.190 nan 0.000 0.469 252 R N -0.512 119.969 120.500 -0.032 0.000 2.055 252 R HA -0.004 4.316 4.340 -0.034 0.000 0.221 252 R C 2.267 178.507 176.300 -0.100 0.000 1.154 252 R CA 1.449 57.525 56.100 -0.040 0.000 0.975 252 R CB -0.229 30.007 30.300 -0.105 0.000 0.869 252 R HN 0.571 nan 8.270 nan 0.000 0.437 253 E N -0.436 119.689 120.200 -0.125 0.000 2.216 253 E HA 0.109 4.438 4.350 -0.034 0.000 0.192 253 E C 0.771 177.211 176.600 -0.267 0.000 0.988 253 E CA 0.481 56.814 56.400 -0.111 0.000 0.834 253 E CB 0.372 30.048 29.700 -0.040 0.000 0.772 253 E HN 0.573 nan 8.360 nan 0.000 0.479 254 G N 0.649 109.079 108.800 -0.616 0.000 2.481 254 G HA2 -0.284 3.656 3.960 -0.034 0.000 0.230 254 G HA3 -0.284 3.656 3.960 -0.034 0.000 0.230 254 G C -0.184 174.145 174.900 -0.951 0.000 1.210 254 G CA -0.353 44.078 45.100 -1.115 0.000 0.936 254 G HN 0.103 nan 8.290 nan 0.000 0.583 255 V N 0.816 120.326 119.914 -0.673 0.000 2.529 255 V HA 0.431 4.531 4.120 -0.034 0.000 0.292 255 V C 0.734 176.762 176.094 -0.110 0.000 1.028 255 V CA 0.152 62.361 62.300 -0.151 0.000 1.074 255 V CB 0.961 32.854 31.823 0.117 0.000 0.958 255 V HN 0.886 nan 8.190 nan 0.000 0.481 256 V N 6.765 126.561 119.914 -0.197 0.000 2.540 256 V HA 0.473 4.572 4.120 -0.034 0.000 0.302 256 V C -0.219 175.570 176.094 -0.510 0.000 1.035 256 V CA -0.651 61.435 62.300 -0.358 0.000 0.873 256 V CB 1.929 33.557 31.823 -0.325 0.000 0.992 256 V HN 0.610 nan 8.190 nan 0.000 0.428 257 L N 5.004 125.798 121.223 -0.714 0.000 2.295 257 L HA 0.617 4.936 4.340 -0.034 0.000 0.285 257 L C -0.371 176.104 176.870 -0.658 0.000 1.035 257 L CA -0.534 53.921 54.840 -0.641 0.000 0.806 257 L CB 0.943 42.547 42.059 -0.759 0.000 1.214 257 L HN 0.614 nan 8.230 nan 0.000 0.426 258 H N 3.556 122.452 119.070 -0.289 0.000 2.569 258 H HA 0.274 4.810 4.556 -0.034 0.000 0.357 258 H C -0.159 174.956 175.328 -0.356 0.000 1.153 258 H CA -0.726 55.120 56.048 -0.336 0.000 1.193 258 H CB 1.857 31.368 29.762 -0.420 0.000 1.602 258 H HN 0.565 nan 8.280 nan 0.000 0.523 259 N N 1.408 119.962 118.700 -0.243 0.000 2.705 259 N HA -0.206 4.514 4.740 -0.034 0.000 0.255 259 N C -0.299 175.148 175.510 -0.104 0.000 1.008 259 N CA 0.493 53.417 53.050 -0.210 0.000 0.742 259 N CB -1.229 37.082 38.487 -0.292 0.000 0.906 259 N HN 0.540 nan 8.380 nan 0.000 0.541 260 I N 0.580 121.094 120.570 -0.093 0.000 2.517 260 I HA 0.221 4.371 4.170 -0.034 0.000 0.285 260 I C 1.010 177.185 176.117 0.096 0.000 1.106 260 I CA 0.239 61.548 61.300 0.015 0.000 1.402 260 I CB 0.491 38.477 38.000 -0.025 0.000 1.399 260 I HN 0.340 nan 8.210 nan 0.000 0.535 261 A N 6.936 129.879 122.820 0.205 0.000 2.566 261 A HA 0.794 5.093 4.320 -0.034 0.000 0.292 261 A C -1.607 176.123 177.584 0.243 0.000 1.112 261 A CA -0.450 51.696 52.037 0.182 0.000 0.707 261 A CB 1.594 20.654 19.000 0.100 0.000 1.302 261 A HN 0.511 nan 8.150 nan 0.000 0.409 262 F N 0.320 120.272 119.950 0.004 0.000 2.518 262 F HA 0.655 5.161 4.527 -0.034 0.000 0.323 262 F C 0.183 175.994 175.800 0.019 0.000 1.129 262 F CA -0.590 57.344 58.000 -0.110 0.000 0.920 262 F CB 1.837 40.710 39.000 -0.212 0.000 1.160 262 F HN 0.562 nan 8.300 nan 0.000 0.440 263 R N 4.031 124.414 120.500 -0.195 0.000 2.351 263 R HA 0.151 4.471 4.340 -0.034 0.000 0.321 263 R C -1.181 175.193 176.300 0.122 0.000 1.182 263 R CA 0.022 56.097 56.100 -0.042 0.000 1.011 263 R CB -0.523 29.690 30.300 -0.144 0.000 1.048 263 R HN 0.491 nan 8.270 nan 0.000 0.490 264 D N 3.819 124.401 120.400 0.302 0.000 2.456 264 D HA 0.358 4.978 4.640 -0.034 0.000 0.219 264 D C 0.895 177.292 176.300 0.163 0.000 1.126 264 D CA 1.018 55.229 54.000 0.352 0.000 0.890 264 D CB 0.618 41.657 40.800 0.399 0.000 1.025 264 D HN 0.652 nan 8.370 nan 0.000 0.511 265 G N 5.033 113.901 108.800 0.114 0.000 2.595 265 G HA2 -0.376 3.564 3.960 -0.034 0.000 0.297 265 G HA3 -0.376 3.564 3.960 -0.034 0.000 0.297 265 G C 0.683 175.606 174.900 0.037 0.000 1.181 265 G CA 0.635 45.771 45.100 0.060 0.000 0.963 265 G HN 0.603 nan 8.290 nan 0.000 0.541 266 D N 0.803 121.221 120.400 0.031 0.000 2.369 266 D HA 0.283 4.902 4.640 -0.034 0.000 0.211 266 D C 1.111 177.424 176.300 0.022 0.000 1.077 266 D CA 0.704 54.716 54.000 0.020 0.000 0.842 266 D CB 0.021 40.829 40.800 0.013 0.000 0.947 266 D HN 0.918 nan 8.370 nan 0.000 0.509 267 R N 0.024 120.544 120.500 0.033 0.000 2.599 267 R HA 0.551 4.870 4.340 -0.034 0.000 0.295 267 R C -1.204 175.129 176.300 0.055 0.000 0.963 267 R CA -1.173 54.946 56.100 0.032 0.000 0.883 267 R CB 1.338 31.647 30.300 0.016 0.000 1.171 267 R HN -0.013 nan 8.270 nan 0.000 0.450 268 L N 3.417 124.668 121.223 0.046 0.000 2.283 268 L HA 0.324 4.643 4.340 -0.034 0.000 0.287 268 L C -0.571 176.342 176.870 0.072 0.000 1.073 268 L CA -0.067 54.810 54.840 0.063 0.000 0.822 268 L CB 0.364 42.451 42.059 0.047 0.000 1.186 268 L HN 0.623 nan 8.230 nan 0.000 0.436 269 R N 7.169 127.749 120.500 0.133 0.000 2.255 269 R HA 0.452 4.771 4.340 -0.034 0.000 0.326 269 R C -2.331 174.068 176.300 0.165 0.000 0.986 269 R CA -1.770 54.417 56.100 0.145 0.000 0.847 269 R CB 0.748 31.166 30.300 0.197 0.000 1.111 269 R HN 0.495 nan 8.270 nan 0.000 0.452 270 P HA 0.099 nan 4.420 nan 0.000 0.274 270 P C -0.126 177.168 177.300 -0.009 0.000 1.231 270 P CA 0.025 63.119 63.100 -0.010 0.000 0.790 270 P CB 1.288 32.907 31.700 -0.134 0.000 0.951 271 I N 0.547 121.056 120.570 -0.101 0.000 3.746 271 I HA 0.247 4.396 4.170 -0.034 0.000 0.262 271 I C 0.682 176.667 176.117 -0.220 0.000 1.153 271 I CA 0.217 61.363 61.300 -0.257 0.000 1.395 271 I CB 0.412 38.150 38.000 -0.437 0.000 1.589 271 I HN 0.134 nan 8.210 nan 0.000 0.441 272 I N 1.195 121.665 120.570 -0.166 0.000 2.478 272 I HA 0.175 4.325 4.170 -0.034 0.000 0.287 272 I C 0.290 176.324 176.117 -0.138 0.000 1.042 272 I CA -0.254 60.961 61.300 -0.143 0.000 1.067 272 I CB 2.077 39.994 38.000 -0.139 0.000 1.233 272 I HN 0.014 nan 8.210 nan 0.000 0.431 273 N N 4.649 123.285 118.700 -0.107 0.000 2.216 273 N HA 0.006 4.726 4.740 -0.034 0.000 0.183 273 N C 0.380 175.831 175.510 -0.098 0.000 1.017 273 N CA 1.299 54.304 53.050 -0.075 0.000 0.861 273 N CB 0.392 38.933 38.487 0.090 0.000 0.986 273 N HN 0.558 nan 8.380 nan 0.000 0.428 274 R N -0.640 119.776 120.500 -0.139 0.000 2.522 274 R HA 0.575 4.895 4.340 -0.034 0.000 0.273 274 R C -2.111 174.019 176.300 -0.283 0.000 1.133 274 R CA -0.606 55.352 56.100 -0.237 0.000 0.969 274 R CB 1.310 31.527 30.300 -0.140 0.000 1.235 274 R HN 0.069 nan 8.270 nan 0.000 0.433 275 A N 2.357 124.925 122.820 -0.419 0.000 2.356 275 A HA 0.749 5.049 4.320 -0.034 0.000 0.310 275 A C -1.024 176.294 177.584 -0.444 0.000 1.075 275 A CA -0.376 51.412 52.037 -0.416 0.000 0.746 275 A CB 1.583 20.207 19.000 -0.626 0.000 1.221 275 A HN 0.837 nan 8.150 nan 0.000 0.443 276 S N 0.807 116.442 115.700 -0.109 0.000 2.615 276 S HA 0.683 5.133 4.470 -0.034 0.000 0.269 276 S C -1.329 173.399 174.600 0.214 0.000 1.161 276 S CA -0.618 57.618 58.200 0.061 0.000 0.817 276 S CB 0.597 63.756 63.200 -0.068 0.000 1.131 276 S HN 0.566 nan 8.310 nan 0.000 0.467 277 I N 2.146 122.865 120.570 0.247 0.000 2.307 277 I HA 0.541 4.690 4.170 -0.034 0.000 0.287 277 I C 1.192 177.410 176.117 0.168 0.000 1.054 277 I CA -0.358 61.075 61.300 0.221 0.000 1.218 277 I CB 0.819 39.051 38.000 0.387 0.000 1.398 277 I HN 0.942 nan 8.210 nan 0.000 0.475 278 A N 4.197 127.086 122.820 0.116 0.000 2.167 278 A HA 0.162 4.462 4.320 -0.034 0.000 0.214 278 A C 0.792 178.435 177.584 0.098 0.000 1.151 278 A CA 0.990 53.116 52.037 0.149 0.000 0.735 278 A CB -0.118 18.977 19.000 0.158 0.000 0.802 278 A HN 0.612 nan 8.150 nan 0.000 0.467 279 E N -2.041 118.160 120.200 0.002 0.000 2.396 279 E HA 0.572 4.901 4.350 -0.034 0.000 0.280 279 E C -1.348 175.217 176.600 -0.058 0.000 1.065 279 E CA -0.345 56.007 56.400 -0.079 0.000 0.831 279 E CB 0.825 30.313 29.700 -0.352 0.000 1.272 279 E HN 0.141 nan 8.360 nan 0.000 0.443 280 M N 3.804 123.375 119.600 -0.048 0.000 2.265 280 M HA 0.459 4.919 4.480 -0.034 0.000 0.262 280 M C -2.003 174.176 176.300 -0.203 0.000 1.026 280 M CA -0.760 54.385 55.300 -0.259 0.000 0.987 280 M CB 1.494 33.877 32.600 -0.362 0.000 1.937 280 M HN 0.446 nan 8.290 nan 0.000 0.481 281 V N 5.487 125.229 119.914 -0.287 0.000 2.769 281 V HA 0.757 4.856 4.120 -0.034 0.000 0.312 281 V C -1.338 174.521 176.094 -0.392 0.000 1.061 281 V CA -0.321 61.717 62.300 -0.438 0.000 0.931 281 V CB 2.387 33.770 31.823 -0.733 0.000 1.010 281 V HN 0.642 nan 8.190 nan 0.000 0.433 282 V N 7.931 127.647 119.914 -0.329 0.000 2.276 282 V HA 0.408 4.508 4.120 -0.034 0.000 0.268 282 V C -2.435 173.445 176.094 -0.356 0.000 1.032 282 V CA -1.332 60.779 62.300 -0.315 0.000 0.810 282 V CB 1.202 32.961 31.823 -0.106 0.000 1.060 282 V HN 0.817 nan 8.190 nan 0.000 0.446 283 P HA 0.328 nan 4.420 nan 0.000 0.286 283 P C -1.295 175.795 177.300 -0.351 0.000 1.269 283 P CA -0.276 62.645 63.100 -0.299 0.000 0.787 283 P CB 1.065 32.611 31.700 -0.256 0.000 0.920 284 Y N 0.782 120.921 120.300 -0.269 0.000 2.361 284 Y HA 0.463 4.994 4.550 -0.032 0.000 0.332 284 Y C 1.741 177.564 175.900 -0.130 0.000 1.101 284 Y CA 0.224 58.209 58.100 -0.192 0.000 1.137 284 Y CB 1.444 39.715 38.460 -0.315 0.000 1.207 284 Y HN 0.477 nan 8.280 nan 0.000 0.463 285 G N 1.262 110.089 108.800 0.044 0.000 3.609 285 G HA2 0.003 3.943 3.960 -0.034 0.000 0.280 285 G HA3 0.003 3.943 3.960 -0.034 0.000 0.280 285 G C -0.677 174.249 174.900 0.044 0.000 1.155 285 G CA -0.172 44.959 45.100 0.053 0.000 0.876 285 G HN 0.507 nan 8.290 nan 0.000 0.535 286 D N 1.132 121.541 120.400 0.015 0.000 2.317 286 D HA 0.249 4.868 4.640 -0.034 0.000 0.234 286 D C -1.068 175.198 176.300 -0.056 0.000 1.112 286 D CA -2.409 51.565 54.000 -0.042 0.000 0.840 286 D CB 2.277 43.047 40.800 -0.050 0.000 1.078 286 D HN 0.038 nan 8.370 nan 0.000 0.486 287 P HA -0.048 nan 4.420 nan 0.000 0.237 287 P C 0.407 177.695 177.300 -0.021 0.000 1.178 287 P CA 0.019 63.106 63.100 -0.023 0.000 0.766 287 P CB 0.171 31.869 31.700 -0.004 0.000 0.876 288 S N 2.491 118.168 115.700 -0.038 0.000 2.546 288 S HA 0.071 4.520 4.470 -0.034 0.000 0.290 288 S C -0.883 173.719 174.600 0.004 0.000 1.290 288 S CA -1.034 57.156 58.200 -0.017 0.000 1.069 288 S CB 0.150 63.320 63.200 -0.050 0.000 0.846 288 S HN 0.037 nan 8.310 nan 0.000 0.495 289 P HA -0.110 nan 4.420 nan 0.000 0.223 289 P C 1.322 178.765 177.300 0.238 0.000 1.144 289 P CA 0.727 63.911 63.100 0.140 0.000 0.783 289 P CB -0.068 31.720 31.700 0.146 0.000 0.771 290 I N -0.251 120.412 120.570 0.155 0.000 2.546 290 I HA -0.077 4.072 4.170 -0.034 0.000 0.255 290 I C 2.070 178.317 176.117 0.216 0.000 1.163 290 I CA 1.257 62.692 61.300 0.226 0.000 1.457 290 I CB -0.975 37.058 38.000 0.056 0.000 1.092 290 I HN 0.053 nan 8.210 nan 0.000 0.434 291 R N -0.508 119.896 120.500 -0.160 0.000 2.541 291 R HA 0.100 4.420 4.340 -0.034 0.000 0.332 291 R C 1.912 177.719 176.300 -0.822 0.000 0.951 291 R CA 0.480 56.172 56.100 -0.679 0.000 1.136 291 R CB 0.282 30.321 30.300 -0.435 0.000 1.449 291 R HN 0.260 nan 8.270 nan 0.000 0.531 292 S N 0.870 116.302 115.700 -0.447 0.000 2.500 292 S HA -0.120 4.330 4.470 -0.034 0.000 0.239 292 S C 1.355 175.703 174.600 -0.420 0.000 0.989 292 S CA 0.491 58.506 58.200 -0.308 0.000 0.951 292 S CB -0.391 62.740 63.200 -0.115 0.000 0.759 292 S HN 0.623 nan 8.310 nan 0.000 0.523 293 W N 0.600 121.643 121.300 -0.427 0.000 3.278 293 W HA 0.404 5.041 4.660 -0.039 0.000 0.308 293 W C 0.423 176.777 176.519 -0.274 0.000 1.253 293 W CA -0.720 56.143 57.345 -0.803 0.000 1.759 293 W CB -0.701 28.215 29.460 -0.906 0.000 1.093 293 W HN 0.284 nan 8.180 nan 0.000 0.648 294 Q N 2.953 122.182 119.800 -0.953 0.000 2.286 294 Q HA 0.096 4.415 4.340 -0.034 0.000 0.265 294 Q C -0.743 174.926 176.000 -0.552 0.000 1.080 294 Q CA 0.716 55.927 55.803 -0.986 0.000 0.906 294 Q CB 0.089 28.033 28.738 -1.323 0.000 1.227 294 Q HN 0.015 nan 8.270 nan 0.000 0.409 295 N N 4.666 123.059 118.700 -0.511 0.000 2.572 295 N HA 0.139 4.858 4.740 -0.034 0.000 0.287 295 N C -1.849 173.541 175.510 -0.199 0.000 1.136 295 N CA -0.333 52.532 53.050 -0.309 0.000 0.900 295 N CB 1.149 39.647 38.487 0.019 0.000 1.484 295 N HN 0.498 nan 8.380 nan 0.000 0.526 296 Y N 1.302 121.645 120.300 0.072 0.000 2.369 296 Y HA 0.402 4.931 4.550 -0.036 0.000 0.337 296 Y C -0.036 175.929 175.900 0.109 0.000 0.961 296 Y CA -0.985 57.244 58.100 0.215 0.000 1.186 296 Y CB 0.690 39.247 38.460 0.162 0.000 1.139 296 Y HN 0.361 nan 8.280 nan 0.000 0.494 297 F N 3.127 123.308 119.950 0.384 0.000 2.515 297 F HA 0.136 4.642 4.527 -0.035 0.000 0.353 297 F C 0.976 176.979 175.800 0.338 0.000 1.213 297 F CA -0.585 57.563 58.000 0.247 0.000 1.194 297 F CB -0.012 39.085 39.000 0.162 0.000 1.488 297 F HN 0.566 nan 8.300 nan 0.000 0.619 298 D N 0.625 121.255 120.400 0.383 0.000 2.149 298 D HA -0.152 4.468 4.640 -0.034 0.000 0.198 298 D C 2.095 178.614 176.300 0.366 0.000 0.990 298 D CA 1.647 55.876 54.000 0.381 0.000 0.839 298 D CB -0.019 40.924 40.800 0.237 0.000 0.948 298 D HN 0.371 nan 8.370 nan 0.000 0.460 299 T N -0.573 114.129 114.554 0.247 0.000 2.735 299 T HA 0.007 4.336 4.350 -0.034 0.000 0.256 299 T C 1.990 176.751 174.700 0.101 0.000 1.042 299 T CA 1.327 63.524 62.100 0.162 0.000 1.147 299 T CB -0.627 68.299 68.868 0.097 0.000 0.865 299 T HN 0.226 nan 8.240 nan 0.000 0.421 300 G N 1.037 109.901 108.800 0.106 0.000 2.408 300 G HA2 -0.136 3.803 3.960 -0.034 0.000 0.217 300 G HA3 -0.136 3.803 3.960 -0.034 0.000 0.217 300 G C 1.441 176.343 174.900 0.002 0.000 1.150 300 G CA 0.612 45.693 45.100 -0.032 0.000 0.776 300 G HN 0.513 nan 8.290 nan 0.000 0.542 301 E N -1.149 119.144 120.200 0.155 0.000 2.162 301 E HA 0.093 4.423 4.350 -0.034 0.000 0.193 301 E C 1.852 178.450 176.600 -0.004 0.000 0.953 301 E CA 0.327 56.752 56.400 0.042 0.000 0.849 301 E CB 0.073 29.808 29.700 0.058 0.000 0.810 301 E HN 0.556 nan 8.360 nan 0.000 0.470 302 Y N 0.131 120.592 120.300 0.269 0.000 2.509 302 Y HA 0.277 4.807 4.550 -0.035 0.000 0.270 302 Y C 0.109 176.227 175.900 0.364 0.000 1.103 302 Y CA 0.036 58.362 58.100 0.376 0.000 1.278 302 Y CB 0.531 39.241 38.460 0.416 0.000 1.087 302 Y HN -0.153 nan 8.280 nan 0.000 0.542 303 L N 0.782 122.226 121.223 0.368 0.000 2.805 303 L HA -0.196 4.123 4.340 -0.034 0.000 0.688 303 L C 1.069 178.088 176.870 0.249 0.000 1.050 303 L CA -0.024 54.942 54.840 0.209 0.000 1.362 303 L CB -1.610 40.526 42.059 0.129 0.000 1.968 303 L HN 0.166 nan 8.230 nan 0.000 0.923 304 V N -0.548 119.518 119.914 0.253 0.000 2.469 304 V HA -0.145 3.954 4.120 -0.034 0.000 0.251 304 V C 2.190 178.428 176.094 0.239 0.000 1.064 304 V CA 2.275 64.762 62.300 0.310 0.000 1.066 304 V CB -0.588 31.388 31.823 0.256 0.000 0.667 304 V HN 0.838 nan 8.190 nan 0.000 0.461 305 G N 0.928 109.740 108.800 0.020 0.000 2.422 305 G HA2 -0.306 3.633 3.960 -0.034 0.000 0.218 305 G HA3 -0.306 3.633 3.960 -0.034 0.000 0.218 305 G C 1.584 176.554 174.900 0.116 0.000 1.146 305 G CA 0.978 46.021 45.100 -0.095 0.000 0.769 305 G HN 0.809 nan 8.290 nan 0.000 0.547 306 Q N -0.903 118.865 119.800 -0.055 0.000 2.291 306 Q HA -0.066 4.254 4.340 -0.034 0.000 0.205 306 Q C 1.151 177.004 176.000 -0.245 0.000 0.970 306 Q CA 0.972 56.658 55.803 -0.195 0.000 0.876 306 Q CB -0.292 28.194 28.738 -0.421 0.000 0.935 306 Q HN 0.532 nan 8.270 nan 0.000 0.455 307 Y N 0.633 121.082 120.300 0.249 0.000 2.571 307 Y HA 0.484 5.015 4.550 -0.032 0.000 0.275 307 Y C 0.627 176.688 175.900 0.269 0.000 1.179 307 Y CA -0.711 57.533 58.100 0.239 0.000 1.242 307 Y CB -0.027 38.570 38.460 0.228 0.000 1.126 307 Y HN 0.166 nan 8.280 nan 0.000 0.524 308 A N 1.124 124.182 122.820 0.396 0.000 2.540 308 A HA 0.112 4.411 4.320 -0.034 0.000 0.239 308 A C 0.352 178.123 177.584 0.311 0.000 1.061 308 A CA -0.321 51.980 52.037 0.439 0.000 0.758 308 A CB -0.031 19.235 19.000 0.443 0.000 0.991 308 A HN 0.344 nan 8.150 nan 0.000 0.502 309 N N 1.036 119.925 118.700 0.315 0.000 2.445 309 N HA 0.240 4.959 4.740 -0.034 0.000 0.264 309 N C -0.378 175.223 175.510 0.152 0.000 1.227 309 N CA -0.108 53.069 53.050 0.213 0.000 0.963 309 N CB 0.762 39.366 38.487 0.194 0.000 1.188 309 N HN 0.497 nan 8.380 nan 0.000 0.491 310 S N 0.847 116.598 115.700 0.086 0.000 2.430 310 S HA 0.315 4.765 4.470 -0.034 0.000 0.289 310 S C 0.284 174.898 174.600 0.024 0.000 1.143 310 S CA -0.654 57.562 58.200 0.027 0.000 1.067 310 S CB -0.050 63.145 63.200 -0.009 0.000 0.964 310 S HN 0.232 nan 8.310 nan 0.000 0.485 311 L N 3.860 125.108 121.223 0.042 0.000 2.313 311 L HA 0.310 4.629 4.340 -0.034 0.000 0.282 311 L C 0.551 177.431 176.870 0.017 0.000 1.092 311 L CA -0.566 54.324 54.840 0.083 0.000 0.831 311 L CB 0.304 42.501 42.059 0.229 0.000 1.159 311 L HN 0.427 nan 8.230 nan 0.000 0.442 312 E N 2.963 123.175 120.200 0.019 0.000 2.313 312 E HA 0.195 4.524 4.350 -0.034 0.000 0.276 312 E C -0.359 176.287 176.600 0.078 0.000 1.031 312 E CA -0.778 55.625 56.400 0.006 0.000 0.857 312 E CB 1.930 31.628 29.700 -0.004 0.000 1.040 312 E HN 0.271 nan 8.360 nan 0.000 0.408 313 L N 1.526 122.804 121.223 0.092 0.000 2.426 313 L HA 0.261 4.581 4.340 -0.034 0.000 0.271 313 L C 1.364 178.276 176.870 0.070 0.000 1.169 313 L CA 1.605 56.533 54.840 0.146 0.000 0.836 313 L CB 0.412 42.566 42.059 0.159 0.000 1.112 313 L HN 0.780 nan 8.230 nan 0.000 0.465 314 G N 2.070 110.901 108.800 0.053 0.000 2.257 314 G HA2 -0.352 3.588 3.960 -0.034 0.000 0.267 314 G HA3 -0.352 3.588 3.960 -0.034 0.000 0.267 314 G C 0.803 175.715 174.900 0.020 0.000 0.984 314 G CA 0.648 45.764 45.100 0.028 0.000 0.626 314 G HN 0.799 nan 8.290 nan 0.000 0.540 315 C N -0.920 118.394 119.300 0.023 0.000 2.463 315 C HA 0.315 4.755 4.460 -0.034 0.000 0.322 315 C C 2.197 177.190 174.990 0.004 0.000 1.556 315 C CA 1.160 60.182 59.018 0.006 0.000 2.225 315 C CB -0.415 27.324 27.740 -0.002 0.000 1.995 315 C HN 0.476 nan 8.230 nan 0.000 0.678 316 D N 0.030 120.442 120.400 0.021 0.000 2.201 316 D HA 0.056 4.675 4.640 -0.034 0.000 0.209 316 D C 0.156 176.500 176.300 0.074 0.000 0.961 316 D CA 1.091 55.110 54.000 0.032 0.000 0.861 316 D CB 0.130 40.955 40.800 0.042 0.000 0.997 316 D HN 0.398 nan 8.370 nan 0.000 0.486 317 c N 1.936 120.572 118.600 0.060 0.000 2.344 317 c HA 0.509 5.059 4.570 -0.034 0.000 0.326 317 c C -0.243 173.795 174.090 -0.087 0.000 1.201 317 c CA -1.120 55.184 56.329 -0.042 0.000 1.410 317 c CB 0.628 43.082 42.510 -0.095 0.000 2.070 317 c HN 0.164 nan 8.230 nan 0.000 0.445 318 L N 4.127 125.288 121.223 -0.103 0.000 2.325 318 L HA 0.944 5.264 4.340 -0.034 0.000 0.279 318 L C 0.552 177.364 176.870 -0.096 0.000 1.054 318 L CA 1.807 56.611 54.840 -0.061 0.000 0.804 318 L CB 0.907 42.962 42.059 -0.006 0.000 1.200 318 L HN 1.093 nan 8.230 nan 0.000 0.436 319 G N 3.315 112.090 108.800 -0.042 0.000 2.428 319 G HA2 -0.150 3.790 3.960 -0.034 0.000 0.202 319 G HA3 -0.150 3.790 3.960 -0.034 0.000 0.202 319 G C -1.088 173.804 174.900 -0.014 0.000 1.247 319 G CA -0.213 44.882 45.100 -0.009 0.000 1.020 319 G HN 0.745 nan 8.290 nan 0.000 0.529 320 D N 0.897 121.313 120.400 0.026 0.000 2.422 320 D HA 0.483 5.103 4.640 -0.034 0.000 0.227 320 D C -0.212 176.108 176.300 0.033 0.000 1.190 320 D CA -0.080 53.938 54.000 0.029 0.000 0.905 320 D CB 0.247 41.072 40.800 0.041 0.000 1.034 320 D HN 0.343 nan 8.370 nan 0.000 0.507 321 I N 2.194 122.729 120.570 -0.058 0.000 2.392 321 I HA 0.176 4.325 4.170 -0.034 0.000 0.295 321 I C 0.663 176.676 176.117 -0.174 0.000 0.985 321 I CA -0.335 60.852 61.300 -0.189 0.000 1.221 321 I CB 2.054 39.737 38.000 -0.528 0.000 1.366 321 I HN 0.071 nan 8.210 nan 0.000 0.467 322 T N 5.737 120.251 114.554 -0.067 0.000 2.772 322 T HA 0.481 4.810 4.350 -0.034 0.000 0.288 322 T C -0.662 173.982 174.700 -0.093 0.000 0.994 322 T CA -0.298 61.827 62.100 0.040 0.000 0.951 322 T CB 0.086 69.135 68.868 0.302 0.000 0.933 322 T HN 0.123 nan 8.240 nan 0.000 0.447 323 Y N 2.146 122.495 120.300 0.081 0.000 2.376 323 Y HA 0.621 5.151 4.550 -0.034 0.000 0.325 323 Y C 0.313 176.226 175.900 0.023 0.000 1.199 323 Y CA -1.184 56.941 58.100 0.042 0.000 1.206 323 Y CB 0.946 39.421 38.460 0.025 0.000 1.229 323 Y HN 0.360 nan 8.280 nan 0.000 0.480 324 L N 1.427 122.759 121.223 0.181 0.000 2.365 324 L HA 0.487 4.807 4.340 -0.034 0.000 0.273 324 L C -0.696 176.177 176.870 0.005 0.000 1.000 324 L CA -0.619 54.258 54.840 0.062 0.000 0.819 324 L CB 2.004 44.067 42.059 0.006 0.000 1.284 324 L HN 0.542 nan 8.230 nan 0.000 0.418 325 S N 3.534 119.213 115.700 -0.034 0.000 2.406 325 S HA 0.328 4.777 4.470 -0.034 0.000 0.224 325 S C -2.343 172.177 174.600 -0.133 0.000 1.426 325 S CA -1.039 57.108 58.200 -0.089 0.000 1.179 325 S CB 0.730 63.899 63.200 -0.052 0.000 1.042 325 S HN 0.388 nan 8.310 nan 0.000 0.479 326 P HA 0.181 nan 4.420 nan 0.000 0.269 326 P C -0.700 176.512 177.300 -0.148 0.000 1.209 326 P CA -0.240 62.699 63.100 -0.268 0.000 0.776 326 P CB 0.732 31.996 31.700 -0.727 0.000 0.876 327 V N 4.117 124.009 119.914 -0.036 0.000 2.513 327 V HA 0.483 4.582 4.120 -0.034 0.000 0.299 327 V C 0.707 176.830 176.094 0.048 0.000 1.035 327 V CA -0.560 61.740 62.300 0.001 0.000 0.889 327 V CB 1.209 33.040 31.823 0.014 0.000 0.988 327 V HN 0.518 nan 8.190 nan 0.000 0.440 328 I N 0.821 121.412 120.570 0.035 0.000 3.239 328 I HA 0.812 4.961 4.170 -0.034 0.000 0.314 328 I C -0.221 175.894 176.117 -0.003 0.000 1.126 328 I CA -0.667 60.653 61.300 0.033 0.000 0.973 328 I CB 2.344 40.372 38.000 0.047 0.000 1.252 328 I HN 0.521 nan 8.210 nan 0.000 0.463 329 S N 1.113 116.792 115.700 -0.035 0.000 2.578 329 S HA 0.395 4.845 4.470 -0.034 0.000 0.283 329 S C -0.553 174.016 174.600 -0.052 0.000 1.195 329 S CA -0.550 57.623 58.200 -0.045 0.000 1.050 329 S CB 0.742 63.900 63.200 -0.069 0.000 1.012 329 S HN 0.803 nan 8.310 nan 0.000 0.511 330 D N 2.751 123.129 120.400 -0.037 0.000 2.478 330 D HA 0.410 5.030 4.640 -0.034 0.000 0.274 330 D C 1.257 177.469 176.300 -0.147 0.000 1.234 330 D CA -0.142 53.821 54.000 -0.062 0.000 1.069 330 D CB -0.104 40.694 40.800 -0.003 0.000 1.113 330 D HN 0.488 nan 8.370 nan 0.000 0.571 331 A N -1.246 121.386 122.820 -0.313 0.000 2.125 331 A HA -0.019 4.280 4.320 -0.034 0.000 0.219 331 A C 1.301 178.514 177.584 -0.617 0.000 1.156 331 A CA 0.781 52.499 52.037 -0.532 0.000 0.671 331 A CB -0.863 17.663 19.000 -0.790 0.000 0.794 331 A HN 0.439 nan 8.150 nan 0.000 0.459 332 F N -1.677 118.280 119.950 0.012 0.000 2.661 332 F HA 0.427 4.933 4.527 -0.035 0.000 0.306 332 F C 1.658 177.454 175.800 -0.006 0.000 1.094 332 F CA 0.001 58.005 58.000 0.007 0.000 1.254 332 F CB 0.171 39.175 39.000 0.007 0.000 1.040 332 F HN 0.275 nan 8.300 nan 0.000 0.562 333 G N 0.215 109.064 108.800 0.083 0.000 2.175 333 G HA2 -0.259 3.680 3.960 -0.034 0.000 0.244 333 G HA3 -0.259 3.680 3.960 -0.034 0.000 0.244 333 G C 0.038 174.954 174.900 0.027 0.000 0.982 333 G CA -0.435 44.686 45.100 0.035 0.000 0.641 333 G HN 0.266 nan 8.290 nan 0.000 0.527 334 N N 2.140 120.879 118.700 0.064 0.000 2.514 334 N HA 0.415 5.134 4.740 -0.034 0.000 0.277 334 N C -2.495 173.026 175.510 0.019 0.000 1.126 334 N CA -1.041 52.037 53.050 0.046 0.000 0.978 334 N CB 1.618 40.154 38.487 0.081 0.000 1.106 334 N HN 0.219 nan 8.380 nan 0.000 0.461 335 P HA 0.189 nan 4.420 nan 0.000 0.276 335 P C -0.586 176.719 177.300 0.008 0.000 1.230 335 P CA -0.099 62.999 63.100 -0.003 0.000 0.776 335 P CB 1.228 32.921 31.700 -0.012 0.000 0.888 336 R N 1.966 122.470 120.500 0.007 0.000 2.561 336 R HA 0.277 4.597 4.340 -0.034 0.000 0.297 336 R C -0.436 175.865 176.300 0.001 0.000 0.969 336 R CA -0.647 55.459 56.100 0.010 0.000 0.879 336 R CB 1.583 31.893 30.300 0.016 0.000 1.178 336 R HN 0.494 nan 8.270 nan 0.000 0.445 337 E N 4.982 125.179 120.200 -0.005 0.000 2.249 337 E HA 0.201 4.530 4.350 -0.034 0.000 0.280 337 E C -0.717 175.864 176.600 -0.032 0.000 1.016 337 E CA -0.529 55.856 56.400 -0.024 0.000 0.830 337 E CB 0.997 30.684 29.700 -0.022 0.000 1.081 337 E HN 0.543 nan 8.360 nan 0.000 0.395 338 I N 5.395 125.923 120.570 -0.070 0.000 2.313 338 I HA 0.204 4.353 4.170 -0.034 0.000 0.286 338 I C 0.544 176.608 176.117 -0.087 0.000 1.091 338 I CA -0.470 60.785 61.300 -0.074 0.000 1.216 338 I CB 0.453 38.372 38.000 -0.134 0.000 1.434 338 I HN 0.408 nan 8.210 nan 0.000 0.487 339 R N 6.624 127.088 120.500 -0.061 0.000 2.480 339 R HA -0.045 4.274 4.340 -0.034 0.000 0.303 339 R C 0.171 176.405 176.300 -0.110 0.000 0.985 339 R CA 0.277 56.329 56.100 -0.080 0.000 1.051 339 R CB 0.178 30.435 30.300 -0.073 0.000 0.935 339 R HN 0.614 nan 8.270 nan 0.000 0.410 340 N N 2.620 121.238 118.700 -0.136 0.000 2.714 340 N HA -0.180 4.539 4.740 -0.034 0.000 0.252 340 N C 0.526 176.036 175.510 -0.000 0.000 1.014 340 N CA 1.126 54.071 53.050 -0.174 0.000 0.735 340 N CB -1.172 36.931 38.487 -0.641 0.000 0.924 340 N HN 0.899 nan 8.380 nan 0.000 0.540 341 G N -0.983 107.809 108.800 -0.014 0.000 2.623 341 G HA2 0.228 4.168 3.960 -0.034 0.000 0.214 341 G HA3 0.228 4.168 3.960 -0.034 0.000 0.214 341 G C 0.555 175.503 174.900 0.080 0.000 1.138 341 G CA 0.211 45.310 45.100 -0.003 0.000 0.794 341 G HN 0.453 nan 8.290 nan 0.000 0.535 342 I N 0.429 121.053 120.570 0.090 0.000 2.466 342 I HA 0.311 4.461 4.170 -0.034 0.000 0.289 342 I C -0.771 175.444 176.117 0.164 0.000 1.026 342 I CA -0.916 60.457 61.300 0.122 0.000 1.078 342 I CB 2.438 40.446 38.000 0.012 0.000 1.249 342 I HN -0.185 nan 8.210 nan 0.000 0.429 343 c N 6.973 125.644 118.600 0.118 0.000 2.341 343 c HA 0.680 5.230 4.570 -0.034 0.000 0.338 343 c C 0.071 174.158 174.090 -0.006 0.000 1.257 343 c CA -0.509 55.811 56.329 -0.016 0.000 1.883 343 c CB 0.592 43.116 42.510 0.023 0.000 2.334 343 c HN 0.660 nan 8.230 nan 0.000 0.524 344 M N 5.668 125.228 119.600 -0.067 0.000 2.263 344 M HA 0.514 4.973 4.480 -0.034 0.000 0.295 344 M C -0.663 175.613 176.300 -0.040 0.000 1.028 344 M CA -0.130 55.072 55.300 -0.163 0.000 0.921 344 M CB 1.910 34.328 32.600 -0.304 0.000 1.601 344 M HN 0.973 nan 8.290 nan 0.000 0.440 345 H N 0.874 119.729 119.070 -0.357 0.000 2.935 345 H HA 0.444 4.979 4.556 -0.034 0.000 0.297 345 H C -2.117 173.096 175.328 -0.192 0.000 1.423 345 H CA -1.075 54.929 56.048 -0.074 0.000 1.161 345 H CB 0.986 30.755 29.762 0.012 0.000 1.841 345 H HN 0.730 nan 8.280 nan 0.000 0.506 346 E N 0.927 121.134 120.200 0.011 0.000 2.212 346 E HA 0.524 4.853 4.350 -0.034 0.000 0.268 346 E C -0.945 175.671 176.600 0.028 0.000 0.902 346 E CA -0.921 55.386 56.400 -0.156 0.000 0.779 346 E CB 2.859 32.614 29.700 0.091 0.000 1.172 346 E HN 0.703 nan 8.360 nan 0.000 0.409 347 E N 2.143 122.330 120.200 -0.022 0.000 2.367 347 E HA 0.265 4.595 4.350 -0.034 0.000 0.273 347 E C -1.317 175.392 176.600 0.181 0.000 0.903 347 E CA -1.038 55.430 56.400 0.113 0.000 0.764 347 E CB 1.595 31.368 29.700 0.122 0.000 1.252 347 E HN 0.521 nan 8.360 nan 0.000 0.446 348 D N 1.452 121.975 120.400 0.205 0.000 2.443 348 D HA -0.073 4.546 4.640 -0.034 0.000 0.239 348 D C -0.966 175.541 176.300 0.344 0.000 1.136 348 D CA 0.173 54.307 54.000 0.224 0.000 0.879 348 D CB 0.523 41.405 40.800 0.138 0.000 1.195 348 D HN 0.524 nan 8.370 nan 0.000 0.443 349 W N 5.867 127.205 121.300 0.064 0.000 1.340 349 W HA 0.373 5.012 4.660 -0.035 0.000 0.301 349 W C 0.328 176.878 176.519 0.052 0.000 0.834 349 W CA 0.032 57.413 57.345 0.060 0.000 2.473 349 W CB 0.099 29.640 29.460 0.133 0.000 1.837 349 W HN 0.844 nan 8.180 nan 0.000 0.528 350 G N 1.991 110.735 108.800 -0.093 0.000 2.575 350 G HA2 -0.354 3.585 3.960 -0.034 0.000 0.267 350 G HA3 -0.354 3.585 3.960 -0.034 0.000 0.267 350 G C -0.593 174.293 174.900 -0.024 0.000 1.264 350 G CA 0.039 45.062 45.100 -0.129 0.000 0.935 350 G HN 0.106 nan 8.290 nan 0.000 0.568 351 I N 0.758 121.303 120.570 -0.042 0.000 2.496 351 I HA 0.341 4.491 4.170 -0.034 0.000 0.285 351 I C 1.446 177.591 176.117 0.047 0.000 1.080 351 I CA -0.013 61.289 61.300 0.002 0.000 1.404 351 I CB 1.383 39.376 38.000 -0.012 0.000 1.403 351 I HN 0.628 nan 8.210 nan 0.000 0.539 352 L N 6.511 127.779 121.223 0.074 0.000 2.200 352 L HA 0.580 4.900 4.340 -0.034 0.000 0.200 352 L C 0.639 177.567 176.870 0.097 0.000 1.072 352 L CA 1.022 55.926 54.840 0.107 0.000 0.787 352 L CB -0.081 42.051 42.059 0.122 0.000 0.957 352 L HN 0.667 nan 8.230 nan 0.000 0.459 353 A N -0.481 122.405 122.820 0.110 0.000 2.574 353 A HA 0.667 4.966 4.320 -0.034 0.000 0.297 353 A C -1.121 176.579 177.584 0.193 0.000 1.062 353 A CA -0.593 51.538 52.037 0.155 0.000 0.686 353 A CB 1.162 20.298 19.000 0.227 0.000 1.285 353 A HN 0.057 nan 8.150 nan 0.000 0.403 354 K N 0.913 121.431 120.400 0.196 0.000 2.557 354 K HA 0.564 4.863 4.320 -0.034 0.000 0.257 354 K C -2.234 174.509 176.600 0.239 0.000 0.933 354 K CA -0.504 55.909 56.287 0.210 0.000 0.820 354 K CB 1.724 34.283 32.500 0.099 0.000 1.330 354 K HN 1.088 nan 8.250 nan 0.000 0.432 355 H N 0.327 119.471 119.070 0.123 0.000 3.129 355 H HA 0.369 4.904 4.556 -0.034 0.000 0.342 355 H C -1.927 173.426 175.328 0.042 0.000 1.092 355 H CA -0.368 55.706 56.048 0.042 0.000 1.310 355 H CB 1.871 31.628 29.762 -0.009 0.000 1.932 355 H HN 0.415 nan 8.280 nan 0.000 0.507 356 S N 4.114 119.471 115.700 -0.571 0.000 2.520 356 S HA 0.171 4.620 4.470 -0.034 0.000 0.324 356 S C -0.738 173.402 174.600 -0.767 0.000 1.069 356 S CA -0.658 57.270 58.200 -0.453 0.000 1.121 356 S CB 0.435 63.500 63.200 -0.225 0.000 0.971 356 S HN 0.653 nan 8.310 nan 0.000 0.463 357 D N 2.241 122.269 120.400 -0.619 0.000 2.274 357 D HA 0.291 4.910 4.640 -0.034 0.000 0.239 357 D C 1.008 177.192 176.300 -0.192 0.000 1.104 357 D CA -0.586 53.180 54.000 -0.391 0.000 0.840 357 D CB 0.818 41.574 40.800 -0.074 0.000 1.100 357 D HN 0.265 nan 8.370 nan 0.000 0.477 358 L N 5.604 126.683 121.223 -0.241 0.000 1.994 358 L HA -0.046 4.273 4.340 -0.034 0.000 0.208 358 L C 1.404 178.279 176.870 0.009 0.000 1.071 358 L CA 1.631 56.371 54.840 -0.167 0.000 0.745 358 L CB -0.448 41.443 42.059 -0.280 0.000 0.892 358 L HN 0.612 nan 8.230 nan 0.000 0.431 359 W N -0.118 121.187 121.300 0.008 0.000 2.358 359 W HA -0.119 4.521 4.660 -0.034 0.000 0.303 359 W C 3.017 179.540 176.519 0.006 0.000 1.208 359 W CA 1.594 58.945 57.345 0.010 0.000 1.274 359 W CB -1.800 27.671 29.460 0.018 0.000 1.138 359 W HN 0.548 nan 8.180 nan 0.000 0.515 360 S N -0.900 114.936 115.700 0.227 0.000 2.478 360 S HA 0.260 4.709 4.470 -0.034 0.000 0.222 360 S C 1.830 176.475 174.600 0.076 0.000 1.008 360 S CA 1.035 59.315 58.200 0.133 0.000 0.928 360 S CB -0.114 63.154 63.200 0.113 0.000 0.781 360 S HN 0.441 nan 8.310 nan 0.000 0.518 361 G N 1.137 109.967 108.800 0.050 0.000 2.184 361 G HA2 -0.243 3.697 3.960 -0.034 0.000 0.264 361 G HA3 -0.243 3.697 3.960 -0.034 0.000 0.264 361 G C 0.043 174.947 174.900 0.006 0.000 0.975 361 G CA 0.354 45.465 45.100 0.019 0.000 0.642 361 G HN 0.613 nan 8.290 nan 0.000 0.536 362 I N 1.516 122.093 120.570 0.011 0.000 2.371 362 I HA 0.246 4.396 4.170 -0.034 0.000 0.290 362 I C -0.349 175.767 176.117 -0.001 0.000 1.028 362 I CA -0.658 60.656 61.300 0.023 0.000 1.345 362 I CB 0.816 38.847 38.000 0.051 0.000 1.407 362 I HN -0.020 nan 8.210 nan 0.000 0.501 363 N N 6.560 125.272 118.700 0.019 0.000 2.424 363 N HA 0.291 5.010 4.740 -0.034 0.000 0.271 363 N C -1.269 174.304 175.510 0.106 0.000 0.985 363 N CA -0.419 52.639 53.050 0.012 0.000 0.921 363 N CB 1.776 40.253 38.487 -0.016 0.000 1.149 363 N HN 0.451 nan 8.380 nan 0.000 0.492 364 Y N 1.119 121.401 120.300 -0.031 0.000 2.391 364 Y HA 0.495 5.024 4.550 -0.034 0.000 0.341 364 Y C -0.953 174.952 175.900 0.008 0.000 0.965 364 Y CA -0.319 57.782 58.100 0.002 0.000 1.067 364 Y CB 1.626 40.102 38.460 0.027 0.000 1.199 364 Y HN 0.329 nan 8.280 nan 0.000 0.450 365 T N 6.852 121.234 114.554 -0.285 0.000 3.032 365 T HA 0.581 4.910 4.350 -0.034 0.000 0.312 365 T C -1.330 173.153 174.700 -0.362 0.000 1.078 365 T CA -1.002 60.978 62.100 -0.200 0.000 1.028 365 T CB 1.232 70.045 68.868 -0.092 0.000 1.091 365 T HN 0.420 nan 8.240 nan 0.000 0.457 366 R N 1.877 122.246 120.500 -0.218 0.000 2.686 366 R HA 0.550 4.870 4.340 -0.034 0.000 0.283 366 R C -0.679 175.602 176.300 -0.033 0.000 0.978 366 R CA -0.988 55.016 56.100 -0.161 0.000 0.897 366 R CB 1.879 32.094 30.300 -0.142 0.000 1.192 366 R HN 0.446 nan 8.270 nan 0.000 0.457 367 R N 1.370 121.865 120.500 -0.007 0.000 2.457 367 R HA 0.332 4.652 4.340 -0.034 0.000 0.284 367 R C 0.270 176.633 176.300 0.105 0.000 1.024 367 R CA -0.814 55.313 56.100 0.045 0.000 1.025 367 R CB 0.728 31.055 30.300 0.045 0.000 1.063 367 R HN 0.459 nan 8.270 nan 0.000 0.493 368 N N 1.019 119.817 118.700 0.163 0.000 2.477 368 N HA 0.410 5.129 4.740 -0.034 0.000 0.284 368 N C -0.855 174.856 175.510 0.335 0.000 1.182 368 N CA -0.362 52.848 53.050 0.268 0.000 0.949 368 N CB 1.170 39.862 38.487 0.343 0.000 1.204 368 N HN 0.367 nan 8.380 nan 0.000 0.526 369 R N 0.006 120.752 120.500 0.410 0.000 2.710 369 R HA 0.478 4.797 4.340 -0.034 0.000 0.270 369 R C -0.914 175.628 176.300 0.402 0.000 1.021 369 R CA -0.892 55.462 56.100 0.423 0.000 0.889 369 R CB 2.355 32.947 30.300 0.487 0.000 1.243 369 R HN 0.656 nan 8.270 nan 0.000 0.464 370 R N 1.665 122.196 120.500 0.053 0.000 2.621 370 R HA 0.464 4.783 4.340 -0.034 0.000 0.284 370 R C -1.335 174.478 176.300 -0.811 0.000 0.998 370 R CA -0.931 54.880 56.100 -0.483 0.000 0.895 370 R CB 1.886 31.562 30.300 -1.041 0.000 1.195 370 R HN 0.492 nan 8.270 nan 0.000 0.450 371 M N 3.294 122.103 119.600 -1.318 0.000 2.180 371 M HA 0.305 4.764 4.480 -0.034 0.000 0.358 371 M C -1.535 174.268 176.300 -0.828 0.000 1.233 371 M CA -0.448 54.011 55.300 -1.402 0.000 1.114 371 M CB 1.506 33.092 32.600 -1.689 0.000 1.594 371 M HN 0.476 nan 8.290 nan 0.000 0.467 372 V N 6.655 126.126 119.914 -0.738 0.000 2.495 372 V HA 0.590 4.690 4.120 -0.034 0.000 0.298 372 V C -0.626 175.237 176.094 -0.386 0.000 1.031 372 V CA -0.734 61.283 62.300 -0.472 0.000 0.871 372 V CB 1.711 33.223 31.823 -0.517 0.000 0.988 372 V HN 0.655 nan 8.190 nan 0.000 0.432 373 I N 4.526 124.961 120.570 -0.225 0.000 2.439 373 I HA 0.665 4.814 4.170 -0.034 0.000 0.285 373 I C 0.048 176.167 176.117 0.003 0.000 1.021 373 I CA 0.005 61.236 61.300 -0.115 0.000 1.091 373 I CB 1.562 39.497 38.000 -0.109 0.000 1.242 373 I HN 0.847 nan 8.210 nan 0.000 0.439 374 S N 6.061 121.770 115.700 0.016 0.000 2.638 374 S HA 0.920 5.369 4.470 -0.034 0.000 0.274 374 S C -0.980 173.716 174.600 0.160 0.000 1.157 374 S CA -0.666 57.500 58.200 -0.057 0.000 0.826 374 S CB 3.002 65.861 63.200 -0.568 0.000 1.139 374 S HN 0.478 nan 8.310 nan 0.000 0.474 375 F N -1.365 118.521 119.950 -0.107 0.000 2.713 375 F HA 0.890 5.396 4.527 -0.034 0.000 0.311 375 F C -2.240 173.624 175.800 0.107 0.000 1.141 375 F CA -1.680 56.356 58.000 0.060 0.000 0.939 375 F CB 0.839 39.920 39.000 0.136 0.000 1.325 375 F HN 0.633 nan 8.300 nan 0.000 0.453 376 F N 0.847 120.820 119.950 0.039 0.000 2.556 376 F HA 0.692 5.198 4.527 -0.035 0.000 0.314 376 F C -0.211 175.693 175.800 0.173 0.000 1.106 376 F CA -0.376 57.625 58.000 0.001 0.000 0.911 376 F CB 2.302 41.336 39.000 0.057 0.000 1.190 376 F HN 0.887 nan 8.300 nan 0.000 0.448 377 T N 2.068 116.828 114.554 0.344 0.000 2.916 377 T HA 0.689 5.019 4.350 -0.034 0.000 0.292 377 T C -1.223 173.702 174.700 0.375 0.000 1.055 377 T CA -0.326 62.030 62.100 0.427 0.000 1.009 377 T CB 1.423 70.570 68.868 0.466 0.000 1.118 377 T HN 0.566 nan 8.240 nan 0.000 0.497 378 T N 4.279 119.016 114.554 0.306 0.000 2.840 378 T HA 0.560 4.889 4.350 -0.034 0.000 0.287 378 T C -0.864 173.849 174.700 0.022 0.000 0.991 378 T CA -0.582 61.601 62.100 0.137 0.000 0.964 378 T CB 0.578 69.504 68.868 0.096 0.000 0.954 378 T HN 0.429 nan 8.240 nan 0.000 0.438 379 I N 3.655 124.178 120.570 -0.078 0.000 2.464 379 I HA 0.420 4.569 4.170 -0.034 0.000 0.277 379 I C 1.259 177.174 176.117 -0.337 0.000 1.040 379 I CA 0.001 61.147 61.300 -0.257 0.000 1.153 379 I CB 0.007 37.925 38.000 -0.136 0.000 1.274 379 I HN 0.953 nan 8.210 nan 0.000 0.469 380 G N 7.349 115.926 108.800 -0.372 0.000 2.620 380 G HA2 -0.310 3.629 3.960 -0.034 0.000 0.315 380 G HA3 -0.310 3.629 3.960 -0.034 0.000 0.315 380 G C 0.414 175.172 174.900 -0.235 0.000 1.179 380 G CA 0.565 45.524 45.100 -0.236 0.000 0.971 380 G HN 0.695 nan 8.290 nan 0.000 0.544 384 Y N 0.417 120.739 120.300 0.036 0.000 2.409 384 Y HA 0.707 5.237 4.550 -0.034 0.000 0.343 384 Y C 0.798 176.075 175.900 -1.038 0.000 0.973 384 Y CA -1.092 56.815 58.100 -0.322 0.000 1.064 384 Y CB 2.447 40.875 38.460 -0.053 0.000 1.207 384 Y HN 0.433 nan 8.280 nan 0.000 0.452 385 G N 2.412 110.463 108.800 -1.249 0.000 2.372 385 G HA2 0.571 4.511 3.960 -0.034 0.000 0.323 385 G HA3 0.571 4.511 3.960 -0.034 0.000 0.323 385 G C -1.649 172.890 174.900 -0.602 0.000 1.152 385 G CA -0.386 43.917 45.100 -1.329 0.000 0.906 385 G HN 0.330 nan 8.290 nan 0.000 0.460 386 F N 1.663 121.094 119.950 -0.865 0.000 2.402 386 F HA 0.473 4.979 4.527 -0.035 0.000 0.355 386 F C -0.729 174.690 175.800 -0.635 0.000 1.123 386 F CA -0.948 56.737 58.000 -0.525 0.000 1.021 386 F CB 1.714 40.542 39.000 -0.287 0.000 1.160 386 F HN 0.309 nan 8.300 nan 0.000 0.451 387 Y N 1.431 121.307 120.300 -0.706 0.000 2.350 387 Y HA 0.437 4.966 4.550 -0.035 0.000 0.338 387 Y C -1.050 174.132 175.900 -1.196 0.000 0.961 387 Y CA -1.602 56.027 58.100 -0.784 0.000 1.100 387 Y CB 1.280 39.221 38.460 -0.866 0.000 1.179 387 Y HN 0.508 nan 8.280 nan 0.000 0.454 388 W N 3.347 124.307 121.300 -0.566 0.000 2.573 388 W HA 0.610 5.249 4.660 -0.034 0.000 0.326 388 W C -1.388 174.703 176.519 -0.713 0.000 1.049 388 W CA -0.734 56.297 57.345 -0.523 0.000 1.220 388 W CB 1.101 30.430 29.460 -0.217 0.000 1.373 388 W HN 0.326 nan 8.180 nan 0.000 0.507 389 Y N 2.985 123.179 120.300 -0.177 0.000 2.409 389 Y HA 0.633 5.162 4.550 -0.034 0.000 0.343 389 Y C -0.266 175.315 175.900 -0.532 0.000 0.973 389 Y CA -1.625 56.180 58.100 -0.492 0.000 1.064 389 Y CB 1.130 39.184 38.460 -0.677 0.000 1.207 389 Y HN 0.061 nan 8.280 nan 0.000 0.452 390 L N 4.205 125.075 121.223 -0.588 0.000 2.349 390 L HA 0.516 4.835 4.340 -0.034 0.000 0.278 390 L C -1.196 175.457 176.870 -0.361 0.000 0.996 390 L CA -0.855 53.577 54.840 -0.679 0.000 0.825 390 L CB 1.222 42.580 42.059 -1.169 0.000 1.243 390 L HN 0.597 nan 8.230 nan 0.000 0.412 391 Y N 1.943 122.376 120.300 0.221 0.000 2.453 391 Y HA 0.306 4.835 4.550 -0.034 0.000 0.326 391 Y C 1.197 177.548 175.900 0.751 0.000 1.186 391 Y CA -0.687 57.667 58.100 0.423 0.000 1.200 391 Y CB 1.482 40.083 38.460 0.235 0.000 1.247 391 Y HN 0.447 nan 8.280 nan 0.000 0.482 392 L N 0.625 122.277 121.223 0.716 0.000 2.042 392 L HA -0.225 4.094 4.340 -0.034 0.000 0.210 392 L C 1.522 178.626 176.870 0.391 0.000 1.076 392 L CA 1.820 56.936 54.840 0.460 0.000 0.749 392 L CB -0.385 41.833 42.059 0.264 0.000 0.893 392 L HN 0.769 nan 8.230 nan 0.000 0.432 393 D N -0.662 119.943 120.400 0.343 0.000 2.352 393 D HA 0.014 4.634 4.640 -0.034 0.000 0.232 393 D C 1.405 177.790 176.300 0.142 0.000 1.055 393 D CA 0.844 54.937 54.000 0.155 0.000 0.891 393 D CB 0.121 40.987 40.800 0.110 0.000 0.897 393 D HN 0.350 nan 8.370 nan 0.000 0.529 394 G N -0.937 108.115 108.800 0.420 0.000 2.194 394 G HA2 -0.248 3.692 3.960 -0.034 0.000 0.236 394 G HA3 -0.248 3.692 3.960 -0.034 0.000 0.236 394 G C 0.430 175.815 174.900 0.809 0.000 0.987 394 G CA 0.140 45.538 45.100 0.497 0.000 0.635 394 G HN 0.455 nan 8.290 nan 0.000 0.520 395 T N 1.448 116.377 114.554 0.625 0.000 2.919 395 T HA 0.541 4.870 4.350 -0.034 0.000 0.302 395 T C 0.528 175.581 174.700 0.589 0.000 1.031 395 T CA 0.493 62.900 62.100 0.512 0.000 1.127 395 T CB 1.222 70.203 68.868 0.189 0.000 0.952 395 T HN 0.346 nan 8.240 nan 0.000 0.540 396 I N 2.620 123.460 120.570 0.449 0.000 2.433 396 I HA 0.490 4.639 4.170 -0.034 0.000 0.292 396 I C 0.122 176.379 176.117 0.233 0.000 1.001 396 I CA -0.616 60.843 61.300 0.265 0.000 1.119 396 I CB 1.827 39.953 38.000 0.211 0.000 1.289 396 I HN 0.620 nan 8.210 nan 0.000 0.438 397 E N 5.809 126.106 120.200 0.162 0.000 2.356 397 E HA 0.498 4.827 4.350 -0.034 0.000 0.275 397 E C -2.040 174.377 176.600 -0.305 0.000 0.904 397 E CA -0.636 55.752 56.400 -0.020 0.000 0.757 397 E CB 2.742 32.571 29.700 0.215 0.000 1.232 397 E HN 0.417 nan 8.360 nan 0.000 0.442 398 F N 2.238 121.609 119.950 -0.964 0.000 2.532 398 F HA 0.536 5.042 4.527 -0.035 0.000 0.321 398 F C -1.198 174.040 175.800 -0.937 0.000 1.089 398 F CA -0.503 56.717 58.000 -1.301 0.000 0.926 398 F CB 1.857 39.713 39.000 -1.906 0.000 1.168 398 F HN 0.532 nan 8.300 nan 0.000 0.459 399 E N 4.056 123.073 120.200 -1.973 0.000 2.290 399 E HA 0.683 5.013 4.350 -0.034 0.000 0.274 399 E C -1.981 173.754 176.600 -1.442 0.000 0.889 399 E CA -0.956 54.700 56.400 -1.238 0.000 0.760 399 E CB 1.802 31.181 29.700 -0.535 0.000 1.206 399 E HN 0.876 nan 8.360 nan 0.000 0.419 400 A N 4.428 126.670 122.820 -0.962 0.000 2.317 400 A HA 0.575 4.874 4.320 -0.034 0.000 0.327 400 A C -0.836 176.485 177.584 -0.439 0.000 1.178 400 A CA -0.711 50.852 52.037 -0.790 0.000 0.817 400 A CB 0.869 19.256 19.000 -1.021 0.000 1.189 400 A HN 0.538 nan 8.150 nan 0.000 0.489 401 K N 1.683 121.892 120.400 -0.318 0.000 2.394 401 K HA 0.576 4.875 4.320 -0.034 0.000 0.260 401 K C -0.648 175.910 176.600 -0.070 0.000 0.967 401 K CA -0.305 55.889 56.287 -0.154 0.000 0.855 401 K CB 2.138 34.599 32.500 -0.065 0.000 1.101 401 K HN 0.736 nan 8.250 nan 0.000 0.433 402 A N 2.490 125.293 122.820 -0.029 0.000 2.276 402 A HA 0.591 4.890 4.320 -0.034 0.000 0.316 402 A C -0.077 177.468 177.584 -0.064 0.000 1.229 402 A CA -0.240 51.783 52.037 -0.023 0.000 0.851 402 A CB 1.342 20.286 19.000 -0.092 0.000 1.165 402 A HN 0.686 nan 8.150 nan 0.000 0.513 403 T N 0.711 115.210 114.554 -0.091 0.000 2.606 403 T HA 0.792 5.121 4.350 -0.034 0.000 0.289 403 T C 0.348 174.961 174.700 -0.144 0.000 1.113 403 T CA 1.047 63.108 62.100 -0.065 0.000 1.106 403 T CB 0.652 69.531 68.868 0.018 0.000 1.611 403 T HN 2.663 nan 8.240 nan 0.000 0.471 404 G N -0.150 108.559 108.800 -0.153 0.000 2.451 404 G HA2 0.043 3.982 3.960 -0.034 0.000 0.208 404 G HA3 0.043 3.982 3.960 -0.034 0.000 0.208 404 G C -1.238 173.522 174.900 -0.232 0.000 1.248 404 G CA -0.203 44.767 45.100 -0.215 0.000 0.989 404 G HN 1.345 nan 8.290 nan 0.000 0.559 405 V N 1.233 120.968 119.914 -0.299 0.000 2.495 405 V HA 0.620 4.720 4.120 -0.034 0.000 0.298 405 V C 1.113 177.089 176.094 -0.196 0.000 1.031 405 V CA -0.125 62.017 62.300 -0.263 0.000 0.871 405 V CB 1.200 32.778 31.823 -0.408 0.000 0.988 405 V HN 1.712 nan 8.190 nan 0.000 0.432 406 V N 2.259 122.212 119.914 0.065 0.000 2.872 406 V HA 0.321 4.421 4.120 -0.034 0.000 0.307 406 V C -0.136 176.016 176.094 0.095 0.000 1.072 406 V CA -0.206 62.181 62.300 0.145 0.000 1.148 406 V CB 0.155 32.131 31.823 0.255 0.000 0.954 406 V HN 0.623 nan 8.190 nan 0.000 0.490 407 F N 4.885 124.826 119.950 -0.015 0.000 2.504 407 F HA 0.509 5.019 4.527 -0.029 0.000 0.369 407 F C 0.988 176.880 175.800 0.154 0.000 1.082 407 F CA 0.482 58.499 58.000 0.028 0.000 1.216 407 F CB 0.753 39.755 39.000 0.004 0.000 1.108 407 F HN 1.005 nan 8.300 nan 0.000 0.554 408 T N 1.766 116.308 114.554 -0.019 0.000 2.948 408 T HA 0.834 5.163 4.350 -0.034 0.000 0.285 408 T C -0.220 174.542 174.700 0.104 0.000 1.019 408 T CA -0.262 61.895 62.100 0.096 0.000 1.013 408 T CB 1.641 70.547 68.868 0.064 0.000 1.117 408 T HN 0.717 nan 8.240 nan 0.000 0.533 409 S N -0.410 115.315 115.700 0.043 0.000 2.790 409 S HA 0.800 5.249 4.470 -0.034 0.000 0.292 409 S C -0.621 173.946 174.600 -0.055 0.000 1.197 409 S CA -0.808 57.370 58.200 -0.038 0.000 0.851 409 S CB 0.792 63.974 63.200 -0.031 0.000 1.217 409 S HN 1.404 nan 8.310 nan 0.000 0.526 410 A N 0.396 123.142 122.820 -0.123 0.000 2.302 410 A HA 0.714 5.014 4.320 -0.034 0.000 0.285 410 A C -0.867 176.756 177.584 0.065 0.000 1.105 410 A CA -0.453 51.569 52.037 -0.024 0.000 0.816 410 A CB -0.052 18.930 19.000 -0.030 0.000 1.067 410 A HN 0.941 nan 8.150 nan 0.000 0.489 411 F N 2.811 122.754 119.950 -0.013 0.000 2.391 411 F HA 0.512 5.016 4.527 -0.039 0.000 0.359 411 F C -2.129 173.705 175.800 0.056 0.000 1.122 411 F CA -2.600 55.397 58.000 -0.004 0.000 1.120 411 F CB 0.807 39.796 39.000 -0.019 0.000 1.142 411 F HN 0.304 nan 8.300 nan 0.000 0.483 412 P HA -0.044 nan 4.420 nan 0.000 0.265 412 P C -0.792 176.310 177.300 -0.329 0.000 1.187 412 P CA 0.036 62.979 63.100 -0.261 0.000 0.766 412 P CB 0.437 31.979 31.700 -0.263 0.000 0.820 413 E N 1.747 121.870 120.200 -0.129 0.000 2.344 413 E HA 0.272 4.602 4.350 -0.034 0.000 0.270 413 E C 0.934 177.466 176.600 -0.112 0.000 1.021 413 E CA 0.500 56.849 56.400 -0.084 0.000 0.887 413 E CB -0.324 29.345 29.700 -0.053 0.000 0.997 413 E HN 0.748 nan 8.360 nan 0.000 0.429 414 G N 2.776 111.528 108.800 -0.079 0.000 2.157 414 G HA2 -0.162 3.778 3.960 -0.034 0.000 0.239 414 G HA3 -0.162 3.778 3.960 -0.034 0.000 0.239 414 G C 0.584 175.426 174.900 -0.096 0.000 0.982 414 G CA -0.075 44.987 45.100 -0.064 0.000 0.650 414 G HN 1.394 nan 8.290 nan 0.000 0.527 415 G N -1.571 107.099 108.800 -0.215 0.000 2.760 415 G HA2 0.406 4.345 3.960 -0.034 0.000 0.246 415 G HA3 0.406 4.345 3.960 -0.034 0.000 0.246 415 G C -0.124 174.566 174.900 -0.350 0.000 1.359 415 G CA 0.929 45.872 45.100 -0.262 0.000 0.861 415 G HN 2.280 nan 8.290 nan 0.000 0.541 416 S N -1.401 114.185 115.700 -0.189 0.000 2.543 416 S HA 0.587 5.036 4.470 -0.034 0.000 0.274 416 S C -0.289 174.283 174.600 -0.047 0.000 1.149 416 S CA 0.424 58.530 58.200 -0.157 0.000 0.866 416 S CB 1.701 64.748 63.200 -0.254 0.000 1.111 416 S HN 0.626 nan 8.310 nan 0.000 0.457 417 D N 2.429 122.798 120.400 -0.052 0.000 2.339 417 D HA 0.179 4.798 4.640 -0.034 0.000 0.217 417 D C 0.244 176.521 176.300 -0.038 0.000 1.050 417 D CA 0.442 54.457 54.000 0.025 0.000 0.856 417 D CB 0.038 40.866 40.800 0.046 0.000 0.922 417 D HN 0.614 nan 8.370 nan 0.000 0.518 418 N N -0.409 118.089 118.700 -0.338 0.000 2.184 418 N HA 0.261 4.980 4.740 -0.034 0.000 0.234 418 N C -0.386 174.377 175.510 -1.244 0.000 1.282 418 N CA -0.018 52.602 53.050 -0.717 0.000 0.877 418 N CB 1.692 40.039 38.487 -0.233 0.000 1.184 418 N HN -0.011 nan 8.380 nan 0.000 0.510 419 I N -0.054 119.932 120.570 -0.973 0.000 2.722 419 I HA 0.335 4.485 4.170 -0.034 0.000 0.295 419 I C -0.730 175.398 176.117 0.019 0.000 1.161 419 I CA -0.741 60.299 61.300 -0.433 0.000 1.032 419 I CB 2.311 40.261 38.000 -0.085 0.000 1.244 419 I HN -0.140 nan 8.210 nan 0.000 0.421 420 S N 3.393 119.238 115.700 0.242 0.000 2.608 420 S HA 0.386 4.835 4.470 -0.034 0.000 0.291 420 S C -0.610 173.957 174.600 -0.055 0.000 1.146 420 S CA -0.574 57.785 58.200 0.264 0.000 1.043 420 S CB 1.728 65.130 63.200 0.337 0.000 1.037 420 S HN 0.562 nan 8.310 nan 0.000 0.520 421 Q N 1.744 121.234 119.800 -0.517 0.000 2.278 421 Q HA 0.429 4.748 4.340 -0.034 0.000 0.257 421 Q C -0.080 175.691 176.000 -0.382 0.000 0.928 421 Q CA -0.344 54.936 55.803 -0.872 0.000 0.932 421 Q CB 0.568 28.367 28.738 -1.566 0.000 1.221 421 Q HN 0.712 nan 8.270 nan 0.000 0.434 422 L N 1.928 122.960 121.223 -0.318 0.000 2.500 422 L HA 0.528 4.847 4.340 -0.034 0.000 0.219 422 L C 0.444 177.165 176.870 -0.248 0.000 1.057 422 L CA 0.115 54.812 54.840 -0.239 0.000 0.854 422 L CB 0.500 42.353 42.059 -0.343 0.000 1.078 422 L HN 0.607 nan 8.230 nan 0.000 0.480 423 A N -1.029 121.601 122.820 -0.316 0.000 2.588 423 A HA 0.652 4.951 4.320 -0.034 0.000 0.290 423 A C -2.683 174.813 177.584 -0.145 0.000 1.136 423 A CA -1.174 50.746 52.037 -0.194 0.000 0.681 423 A CB 0.470 19.332 19.000 -0.231 0.000 1.282 423 A HN -0.221 nan 8.150 nan 0.000 0.421 424 P HA 0.230 nan 4.420 nan 0.000 0.255 424 P C 0.995 178.300 177.300 0.009 0.000 1.173 424 P CA 2.494 65.586 63.100 -0.014 0.000 0.780 424 P CB 0.142 31.850 31.700 0.014 0.000 0.758 425 G N 2.348 111.182 108.800 0.057 0.000 2.189 425 G HA2 -0.283 3.656 3.960 -0.034 0.000 0.267 425 G HA3 -0.283 3.656 3.960 -0.034 0.000 0.267 425 G C -0.132 174.823 174.900 0.091 0.000 0.975 425 G CA -0.108 45.063 45.100 0.119 0.000 0.644 425 G HN 0.563 nan 8.290 nan 0.000 0.537 426 L N 1.625 122.832 121.223 -0.027 0.000 2.282 426 L HA 0.795 5.114 4.340 -0.034 0.000 0.288 426 L C 0.692 177.497 176.870 -0.108 0.000 1.033 426 L CA 0.194 54.958 54.840 -0.127 0.000 0.807 426 L CB 1.183 43.027 42.059 -0.357 0.000 1.209 426 L HN 0.362 nan 8.230 nan 0.000 0.423 427 G N 3.332 112.134 108.800 0.003 0.000 2.537 427 G HA2 0.780 4.719 3.960 -0.034 0.000 0.323 427 G HA3 0.780 4.719 3.960 -0.034 0.000 0.323 427 G C -1.631 173.292 174.900 0.039 0.000 1.207 427 G CA -0.350 44.809 45.100 0.097 0.000 0.976 427 G HN 0.945 nan 8.290 nan 0.000 0.487 428 A N 1.231 124.114 122.820 0.105 0.000 2.457 428 A HA 0.748 5.047 4.320 -0.034 0.000 0.283 428 A C -2.851 174.875 177.584 0.237 0.000 1.166 428 A CA -1.301 50.834 52.037 0.163 0.000 0.740 428 A CB 1.627 20.713 19.000 0.143 0.000 1.181 428 A HN 0.397 nan 8.150 nan 0.000 0.446 429 P HA 0.176 nan 4.420 nan 0.000 0.265 429 P C -0.358 177.213 177.300 0.452 0.000 1.193 429 P CA 0.262 63.517 63.100 0.258 0.000 0.765 429 P CB 0.149 32.041 31.700 0.319 0.000 0.823 430 F N 3.740 123.790 119.950 0.166 0.000 2.553 430 F HA 0.201 4.708 4.527 -0.033 0.000 0.356 430 F C 1.651 177.360 175.800 -0.153 0.000 1.142 430 F CA 0.508 58.489 58.000 -0.031 0.000 1.322 430 F CB -0.456 38.542 39.000 -0.003 0.000 1.126 430 F HN 0.505 nan 8.300 nan 0.000 0.599 431 H N -0.281 118.607 119.070 -0.305 0.000 2.902 431 H HA 0.500 5.036 4.556 -0.034 0.000 0.297 431 H C -1.796 173.210 175.328 -0.537 0.000 1.406 431 H CA -1.113 54.551 56.048 -0.639 0.000 1.134 431 H CB 1.401 30.332 29.762 -1.384 0.000 1.833 431 H HN 0.580 nan 8.280 nan 0.000 0.527 432 Q N 0.055 119.540 119.800 -0.525 0.000 2.484 432 Q HA 0.387 4.707 4.340 -0.034 0.000 0.285 432 Q C -1.123 174.585 176.000 -0.486 0.000 1.097 432 Q CA -0.979 54.568 55.803 -0.428 0.000 0.802 432 Q CB 2.967 31.520 28.738 -0.310 0.000 1.444 432 Q HN 0.535 nan 8.270 nan 0.000 0.429 433 H N 1.311 120.299 119.070 -0.136 0.000 2.860 433 H HA 0.444 4.979 4.556 -0.035 0.000 0.312 433 H C -0.937 174.218 175.328 -0.288 0.000 0.995 433 H CA -0.218 55.708 56.048 -0.203 0.000 1.311 433 H CB 0.722 30.463 29.762 -0.034 0.000 1.478 433 H HN 0.445 nan 8.280 nan 0.000 0.508 434 I N 4.106 124.465 120.570 -0.351 0.000 2.389 434 I HA 0.235 4.384 4.170 -0.034 0.000 0.288 434 I C -0.544 175.323 176.117 -0.417 0.000 0.999 434 I CA -0.607 60.522 61.300 -0.285 0.000 1.129 434 I CB 1.028 38.885 38.000 -0.238 0.000 1.288 434 I HN 0.194 nan 8.210 nan 0.000 0.444 435 F N 3.228 122.894 119.950 -0.473 0.000 2.440 435 F HA 0.536 5.043 4.527 -0.034 0.000 0.328 435 F C 0.628 176.191 175.800 -0.395 0.000 1.070 435 F CA -0.848 56.822 58.000 -0.550 0.000 1.011 435 F CB 1.741 40.099 39.000 -1.070 0.000 1.226 435 F HN 0.262 nan 8.300 nan 0.000 0.491 436 S N 1.150 116.863 115.700 0.022 0.000 2.659 436 S HA 0.777 5.226 4.470 -0.034 0.000 0.312 436 S C -0.942 173.747 174.600 0.148 0.000 1.114 436 S CA -0.550 57.706 58.200 0.093 0.000 1.063 436 S CB 0.527 63.637 63.200 -0.149 0.000 0.996 436 S HN 0.843 nan 8.310 nan 0.000 0.478 437 A N 4.899 127.859 122.820 0.233 0.000 2.260 437 A HA 0.599 4.899 4.320 -0.034 0.000 0.308 437 A C 0.151 177.746 177.584 0.018 0.000 1.254 437 A CA -0.671 51.468 52.037 0.171 0.000 0.874 437 A CB 0.319 19.390 19.000 0.119 0.000 1.153 437 A HN 0.855 nan 8.150 nan 0.000 0.527 438 R N 3.634 124.074 120.500 -0.101 0.000 2.198 438 R HA 0.505 4.825 4.340 -0.034 0.000 0.339 438 R C -1.477 174.621 176.300 -0.337 0.000 1.020 438 R CA -0.310 55.512 56.100 -0.463 0.000 0.864 438 R CB 0.212 30.102 30.300 -0.683 0.000 1.105 438 R HN 0.714 nan 8.270 nan 0.000 0.463 439 L N 4.558 125.583 121.223 -0.331 0.000 2.313 439 L HA 0.253 4.572 4.340 -0.034 0.000 0.273 439 L C -0.427 176.325 176.870 -0.196 0.000 1.028 439 L CA -0.877 53.852 54.840 -0.184 0.000 0.871 439 L CB 1.396 43.414 42.059 -0.068 0.000 1.242 439 L HN 0.552 nan 8.230 nan 0.000 0.434 440 D N 4.972 125.266 120.400 -0.176 0.000 2.383 440 D HA 0.156 4.776 4.640 -0.034 0.000 0.245 440 D C 0.218 176.502 176.300 -0.027 0.000 1.263 440 D CA -0.233 53.715 54.000 -0.087 0.000 0.936 440 D CB 0.611 41.374 40.800 -0.061 0.000 1.053 440 D HN 0.154 nan 8.370 nan 0.000 0.507 441 M N 2.300 121.903 119.600 0.006 0.000 2.240 441 M HA 0.356 4.816 4.480 -0.034 0.000 0.333 441 M C 0.430 176.758 176.300 0.046 0.000 1.110 441 M CA -0.376 54.933 55.300 0.014 0.000 1.173 441 M CB 0.771 33.392 32.600 0.035 0.000 1.458 441 M HN 0.492 nan 8.290 nan 0.000 0.458 442 A N 3.318 126.104 122.820 -0.056 0.000 3.339 442 A HA 0.370 4.669 4.320 -0.034 0.000 0.219 442 A C -0.352 177.154 177.584 -0.129 0.000 0.974 442 A CA -0.547 51.381 52.037 -0.182 0.000 1.050 442 A CB 0.101 18.853 19.000 -0.413 0.000 1.271 442 A HN 0.608 nan 8.150 nan 0.000 0.565 443 I N 1.650 122.203 120.570 -0.028 0.000 2.691 443 I HA 0.033 4.182 4.170 -0.034 0.000 0.288 443 I C 0.474 176.654 176.117 0.105 0.000 1.143 443 I CA 0.902 62.246 61.300 0.074 0.000 1.364 443 I CB -1.044 37.037 38.000 0.135 0.000 1.435 443 I HN 0.478 nan 8.210 nan 0.000 0.551 444 D N 4.865 125.351 120.400 0.144 0.000 2.983 444 D HA -0.168 4.452 4.640 -0.034 0.000 0.225 444 D C 0.627 176.900 176.300 -0.046 0.000 1.174 444 D CA 1.706 55.733 54.000 0.044 0.000 0.831 444 D CB -0.725 40.068 40.800 -0.011 0.000 1.104 444 D HN 1.100 nan 8.370 nan 0.000 0.421 445 G N -2.438 106.287 108.800 -0.125 0.000 2.353 445 G HA2 -0.001 3.938 3.960 -0.034 0.000 0.424 445 G HA3 -0.001 3.938 3.960 -0.034 0.000 0.424 445 G C 0.157 174.928 174.900 -0.215 0.000 1.320 445 G CA -0.387 44.584 45.100 -0.215 0.000 0.995 445 G HN 0.000 nan 8.290 nan 0.000 0.580 446 F N 0.735 120.679 119.950 -0.009 0.000 2.661 446 F HA 0.203 4.710 4.527 -0.034 0.000 0.298 446 F C 2.317 178.119 175.800 0.003 0.000 1.137 446 F CA 1.217 59.205 58.000 -0.019 0.000 1.454 446 F CB 0.205 39.179 39.000 -0.044 0.000 1.103 446 F HN 0.278 nan 8.300 nan 0.000 0.577 447 T N 2.688 117.341 114.554 0.165 0.000 3.182 447 T HA 0.132 4.461 4.350 -0.034 0.000 0.274 447 T C -0.029 174.730 174.700 0.097 0.000 0.997 447 T CA -0.080 62.089 62.100 0.116 0.000 1.082 447 T CB -0.595 68.321 68.868 0.081 0.000 1.005 447 T HN -0.008 nan 8.240 nan 0.000 0.688 448 N N 2.762 121.528 118.700 0.110 0.000 2.453 448 N HA 0.699 5.418 4.740 -0.034 0.000 0.290 448 N C -0.168 175.400 175.510 0.096 0.000 1.250 448 N CA -1.005 52.104 53.050 0.099 0.000 0.815 448 N CB 1.999 40.549 38.487 0.106 0.000 1.381 448 N HN 0.595 nan 8.380 nan 0.000 0.510 449 R N -1.688 118.869 120.500 0.095 0.000 2.710 449 R HA 0.753 5.073 4.340 -0.034 0.000 0.270 449 R C -1.810 174.554 176.300 0.106 0.000 1.021 449 R CA -0.857 55.300 56.100 0.094 0.000 0.889 449 R CB 0.708 31.056 30.300 0.081 0.000 1.243 449 R HN 0.179 nan 8.270 nan 0.000 0.464 450 V N 1.092 121.075 119.914 0.114 0.000 2.604 450 V HA 0.443 4.543 4.120 -0.034 0.000 0.305 450 V C -0.532 175.650 176.094 0.146 0.000 1.043 450 V CA -0.724 61.660 62.300 0.141 0.000 0.888 450 V CB 1.799 33.712 31.823 0.150 0.000 0.995 450 V HN 0.770 nan 8.190 nan 0.000 0.429 451 E N 2.194 122.489 120.200 0.158 0.000 2.248 451 E HA 0.422 4.752 4.350 -0.034 0.000 0.267 451 E C -0.988 175.701 176.600 0.148 0.000 0.877 451 E CA -0.655 55.822 56.400 0.127 0.000 0.759 451 E CB 2.837 32.581 29.700 0.073 0.000 1.182 451 E HN 0.733 nan 8.360 nan 0.000 0.418 452 E N 2.674 122.946 120.200 0.121 0.000 2.167 452 E HA 0.070 4.400 4.350 -0.034 0.000 0.284 452 E C -0.990 175.527 176.600 -0.137 0.000 1.016 452 E CA -0.243 56.143 56.400 -0.023 0.000 0.817 452 E CB 0.901 30.655 29.700 0.090 0.000 1.080 452 E HN 0.401 nan 8.360 nan 0.000 0.397 453 E N 4.339 124.375 120.200 -0.274 0.000 2.145 453 E HA 0.188 4.517 4.350 -0.034 0.000 0.270 453 E C -1.287 175.180 176.600 -0.223 0.000 0.906 453 E CA -0.802 55.484 56.400 -0.190 0.000 0.761 453 E CB 0.970 30.580 29.700 -0.151 0.000 1.116 453 E HN 0.406 nan 8.360 nan 0.000 0.408 454 D N 2.560 122.879 120.400 -0.135 0.000 2.342 454 D HA 0.268 4.887 4.640 -0.034 0.000 0.243 454 D C -0.547 175.719 176.300 -0.055 0.000 1.019 454 D CA -0.542 53.391 54.000 -0.111 0.000 0.864 454 D CB 2.175 42.926 40.800 -0.081 0.000 1.315 454 D HN 0.157 nan 8.370 nan 0.000 0.468 455 V N 1.388 121.275 119.914 -0.046 0.000 2.715 455 V HA 0.234 4.333 4.120 -0.034 0.000 0.299 455 V C 0.198 176.299 176.094 0.011 0.000 1.054 455 V CA -0.314 61.985 62.300 -0.001 0.000 1.077 455 V CB 1.454 33.254 31.823 -0.038 0.000 0.972 455 V HN 0.261 nan 8.190 nan 0.000 0.484 456 V N 5.929 125.879 119.914 0.060 0.000 2.407 456 V HA 0.436 4.535 4.120 -0.034 0.000 0.291 456 V C 0.226 176.371 176.094 0.085 0.000 1.018 456 V CA -0.787 61.544 62.300 0.051 0.000 0.842 456 V CB 1.512 33.361 31.823 0.043 0.000 0.996 456 V HN 0.816 nan 8.190 nan 0.000 0.426 457 R N 3.511 124.042 120.500 0.051 0.000 2.490 457 R HA 0.552 4.872 4.340 -0.034 0.000 0.278 457 R C -0.514 175.822 176.300 0.059 0.000 1.069 457 R CA -0.461 55.676 56.100 0.062 0.000 1.080 457 R CB 1.066 31.378 30.300 0.021 0.000 1.030 457 R HN 0.673 nan 8.270 nan 0.000 0.491 458 Q N 0.433 120.276 119.800 0.071 0.000 2.345 458 Q HA 0.304 4.623 4.340 -0.034 0.000 0.268 458 Q C -0.810 175.213 176.000 0.037 0.000 1.054 458 Q CA -0.733 55.099 55.803 0.049 0.000 0.835 458 Q CB 2.574 31.342 28.738 0.049 0.000 1.339 458 Q HN 0.458 nan 8.270 nan 0.000 0.447 459 T N 2.036 116.605 114.554 0.025 0.000 2.856 459 T HA 0.265 4.594 4.350 -0.034 0.000 0.292 459 T C 0.056 174.767 174.700 0.017 0.000 0.980 459 T CA -0.444 61.668 62.100 0.019 0.000 1.091 459 T CB 0.524 69.400 68.868 0.013 0.000 0.936 459 T HN 0.478 nan 8.240 nan 0.000 0.503 460 M N 3.176 122.785 119.600 0.016 0.000 2.248 460 M HA 0.423 4.883 4.480 -0.034 0.000 0.345 460 M C 0.537 176.843 176.300 0.009 0.000 1.243 460 M CA 1.035 56.343 55.300 0.014 0.000 1.090 460 M CB -0.480 32.128 32.600 0.013 0.000 1.683 460 M HN 0.929 nan 8.290 nan 0.000 0.450 461 G N 4.415 113.219 108.800 0.008 0.000 2.368 461 G HA2 0.172 4.112 3.960 -0.034 0.000 0.269 461 G HA3 0.172 4.112 3.960 -0.034 0.000 0.269 461 G C -3.375 171.527 174.900 0.003 0.000 1.291 461 G CA -1.138 43.965 45.100 0.005 0.000 0.903 461 G HN 0.424 nan 8.290 nan 0.000 0.483 462 P HA 0.328 nan 4.420 nan 0.000 0.260 462 P C 0.954 178.254 177.300 -0.001 0.000 1.185 462 P CA 2.356 65.456 63.100 0.000 0.000 0.763 462 P CB 0.676 32.376 31.700 0.000 0.000 0.776 463 G N 3.028 111.826 108.800 -0.003 0.000 2.199 463 G HA2 -0.267 3.673 3.960 -0.034 0.000 0.254 463 G HA3 -0.267 3.673 3.960 -0.034 0.000 0.254 463 G C 0.528 175.424 174.900 -0.006 0.000 0.982 463 G CA 0.267 45.363 45.100 -0.006 0.000 0.632 463 G HN 0.637 nan 8.290 nan 0.000 0.529 464 N N 0.070 118.769 118.700 -0.002 0.000 2.620 464 N HA 0.339 5.058 4.740 -0.034 0.000 0.277 464 N C 1.001 176.513 175.510 0.004 0.000 1.726 464 N CA 0.444 53.494 53.050 0.001 0.000 0.840 464 N CB 0.423 38.913 38.487 0.005 0.000 1.379 464 N HN 0.131 nan 8.380 nan 0.000 0.506 465 E N 0.088 120.289 120.200 0.002 0.000 2.171 465 E HA -0.062 4.267 4.350 -0.034 0.000 0.197 465 E C 1.153 177.757 176.600 0.006 0.000 0.997 465 E CA 1.258 57.660 56.400 0.003 0.000 0.810 465 E CB 0.088 29.789 29.700 0.002 0.000 0.738 465 E HN 0.398 nan 8.360 nan 0.000 0.467 466 R N -0.800 119.704 120.500 0.007 0.000 2.317 466 R HA 0.162 4.481 4.340 -0.034 0.000 0.208 466 R C 0.763 177.072 176.300 0.016 0.000 0.914 466 R CA 0.485 56.591 56.100 0.010 0.000 1.060 466 R CB 0.338 30.644 30.300 0.009 0.000 1.015 466 R HN 0.229 nan 8.270 nan 0.000 0.498 467 G N 2.578 111.389 108.800 0.018 0.000 2.305 467 G HA2 -0.297 3.642 3.960 -0.034 0.000 0.287 467 G HA3 -0.297 3.642 3.960 -0.034 0.000 0.287 467 G C 0.433 175.358 174.900 0.042 0.000 1.036 467 G CA 0.759 45.875 45.100 0.026 0.000 0.887 467 G HN 0.575 nan 8.290 nan 0.000 0.505 468 N N -0.615 118.111 118.700 0.044 0.000 2.294 468 N HA 0.363 5.082 4.740 -0.034 0.000 0.186 468 N C 1.101 176.670 175.510 0.099 0.000 1.107 468 N CA 0.698 53.790 53.050 0.070 0.000 0.884 468 N CB 0.058 38.573 38.487 0.047 0.000 1.030 468 N HN 0.960 nan 8.380 nan 0.000 0.482 469 A N 0.975 123.825 122.820 0.051 0.000 2.462 469 A HA 0.454 4.754 4.320 -0.034 0.000 0.243 469 A C -0.462 177.198 177.584 0.125 0.000 1.076 469 A CA -0.226 51.818 52.037 0.012 0.000 0.773 469 A CB -0.375 18.613 19.000 -0.019 0.000 1.010 469 A HN 0.469 nan 8.150 nan 0.000 0.493 470 F N 0.162 120.107 119.950 -0.009 0.000 2.654 470 F HA 0.809 5.315 4.527 -0.034 0.000 0.308 470 F C -0.278 175.515 175.800 -0.012 0.000 1.108 470 F CA -0.418 57.575 58.000 -0.011 0.000 0.957 470 F CB 0.982 39.975 39.000 -0.012 0.000 1.309 470 F HN 0.613 nan 8.300 nan 0.000 0.446 471 S N 0.916 116.743 115.700 0.212 0.000 3.331 471 S HA 0.855 5.305 4.470 -0.034 0.000 0.316 471 S C -1.524 173.163 174.600 0.145 0.000 1.104 471 S CA -0.732 57.517 58.200 0.082 0.000 0.977 471 S CB 1.440 64.651 63.200 0.019 0.000 1.370 471 S HN 1.143 nan 8.310 nan 0.000 0.731 472 R N 0.592 121.130 120.500 0.064 0.000 2.692 472 R HA 0.596 4.916 4.340 -0.034 0.000 0.269 472 R C -2.006 174.302 176.300 0.014 0.000 1.030 472 R CA -0.932 55.194 56.100 0.044 0.000 0.882 472 R CB 1.241 31.565 30.300 0.040 0.000 1.250 472 R HN 0.716 nan 8.270 nan 0.000 0.465 473 K N 1.596 121.995 120.400 -0.002 0.000 2.469 473 K HA 0.590 4.889 4.320 -0.034 0.000 0.254 473 K C -1.167 175.422 176.600 -0.018 0.000 0.939 473 K CA -1.140 55.144 56.287 -0.006 0.000 0.812 473 K CB 2.790 35.288 32.500 -0.003 0.000 1.301 473 K HN 0.632 nan 8.250 nan 0.000 0.433 474 R N 1.145 121.641 120.500 -0.008 0.000 2.513 474 R HA 0.354 4.674 4.340 -0.034 0.000 0.301 474 R C -1.161 175.146 176.300 0.011 0.000 0.968 474 R CA -0.901 55.196 56.100 -0.005 0.000 0.872 474 R CB 2.519 32.820 30.300 0.002 0.000 1.177 474 R HN 0.654 nan 8.270 nan 0.000 0.444 475 T N 2.498 117.064 114.554 0.020 0.000 2.791 475 T HA 0.213 4.543 4.350 -0.034 0.000 0.288 475 T C 0.076 174.811 174.700 0.059 0.000 0.999 475 T CA -0.571 61.550 62.100 0.036 0.000 0.952 475 T CB 1.430 70.320 68.868 0.037 0.000 0.938 475 T HN 0.147 nan 8.240 nan 0.000 0.444 476 V N 5.202 125.149 119.914 0.055 0.000 2.637 476 V HA 0.193 4.292 4.120 -0.034 0.000 0.296 476 V C 0.393 176.530 176.094 0.072 0.000 1.046 476 V CA -0.409 61.931 62.300 0.066 0.000 1.066 476 V CB 0.428 32.284 31.823 0.055 0.000 0.968 476 V HN 0.716 nan 8.190 nan 0.000 0.483 477 L N 5.517 126.793 121.223 0.088 0.000 2.268 477 L HA 0.275 4.594 4.340 -0.034 0.000 0.289 477 L C 1.453 178.367 176.870 0.073 0.000 1.064 477 L CA -0.143 54.747 54.840 0.083 0.000 0.824 477 L CB 1.001 43.119 42.059 0.099 0.000 1.202 477 L HN 0.914 nan 8.230 nan 0.000 0.433 478 T N -0.543 114.047 114.554 0.060 0.000 3.044 478 T HA 0.170 4.499 4.350 -0.034 0.000 0.255 478 T C 0.983 175.716 174.700 0.055 0.000 1.073 478 T CA 0.098 62.231 62.100 0.055 0.000 1.125 478 T CB 0.365 69.260 68.868 0.045 0.000 0.908 478 T HN 0.314 nan 8.240 nan 0.000 0.480 479 R N 0.654 121.186 120.500 0.053 0.000 2.795 479 R HA 0.430 4.749 4.340 -0.034 0.000 0.275 479 R C 0.579 176.914 176.300 0.059 0.000 0.981 479 R CA -0.519 55.612 56.100 0.053 0.000 0.917 479 R CB 1.609 31.934 30.300 0.042 0.000 1.202 479 R HN 0.260 nan 8.270 nan 0.000 0.469 480 E N 0.374 120.615 120.200 0.068 0.000 2.209 480 E HA -0.179 4.151 4.350 -0.034 0.000 0.196 480 E C 1.352 177.989 176.600 0.062 0.000 0.993 480 E CA 1.860 58.308 56.400 0.081 0.000 0.819 480 E CB 0.156 29.914 29.700 0.096 0.000 0.745 480 E HN 0.615 nan 8.360 nan 0.000 0.477 481 S N 1.203 116.931 115.700 0.046 0.000 2.442 481 S HA -0.183 4.267 4.470 -0.034 0.000 0.236 481 S C 1.530 176.136 174.600 0.011 0.000 1.007 481 S CA 1.301 59.519 58.200 0.029 0.000 0.965 481 S CB -0.298 62.917 63.200 0.025 0.000 0.773 481 S HN 0.469 nan 8.310 nan 0.000 0.504 482 E N 0.114 120.324 120.200 0.018 0.000 2.651 482 E HA 0.563 4.892 4.350 -0.034 0.000 0.208 482 E C 0.704 177.309 176.600 0.008 0.000 0.997 482 E CA 0.119 56.524 56.400 0.009 0.000 1.020 482 E CB 0.473 30.186 29.700 0.023 0.000 1.052 482 E HN 0.474 nan 8.360 nan 0.000 0.465 483 A N 0.909 123.731 122.820 0.004 0.000 2.545 483 A HA 0.318 4.617 4.320 -0.034 0.000 0.277 483 A C 0.177 177.704 177.584 -0.095 0.000 1.301 483 A CA -0.235 51.804 52.037 0.004 0.000 0.935 483 A CB 0.347 19.388 19.000 0.068 0.000 1.093 483 A HN 0.120 nan 8.150 nan 0.000 0.519 484 V N 2.879 122.666 119.914 -0.210 0.000 2.294 484 V HA 0.383 4.483 4.120 -0.034 0.000 0.272 484 V C -0.430 175.436 176.094 -0.380 0.000 1.027 484 V CA -0.707 61.275 62.300 -0.529 0.000 0.823 484 V CB 0.484 31.901 31.823 -0.677 0.000 1.030 484 V HN 0.454 nan 8.190 nan 0.000 0.457 485 R N 3.084 123.373 120.500 -0.352 0.000 2.787 485 R HA 0.714 5.034 4.340 -0.034 0.000 0.271 485 R C -0.381 175.868 176.300 -0.084 0.000 0.993 485 R CA -0.715 55.312 56.100 -0.122 0.000 0.993 485 R CB 1.839 32.180 30.300 0.068 0.000 1.155 485 R HN 0.630 nan 8.270 nan 0.000 0.486 486 E N 0.297 120.551 120.200 0.090 0.000 2.235 486 E HA 0.581 4.910 4.350 -0.034 0.000 0.265 486 E C -0.629 176.165 176.600 0.324 0.000 0.940 486 E CA -0.954 55.524 56.400 0.130 0.000 0.819 486 E CB 2.097 31.838 29.700 0.068 0.000 1.206 486 E HN 0.633 nan 8.360 nan 0.000 0.409 487 A N 1.345 124.352 122.820 0.310 0.000 2.313 487 A HA 0.275 4.575 4.320 -0.034 0.000 0.261 487 A C -0.293 177.389 177.584 0.164 0.000 1.090 487 A CA -0.044 52.202 52.037 0.347 0.000 0.807 487 A CB 0.437 19.630 19.000 0.322 0.000 1.055 487 A HN 0.590 nan 8.150 nan 0.000 0.492 488 D N 0.156 120.606 120.400 0.082 0.000 2.527 488 D HA 0.403 5.023 4.640 -0.034 0.000 0.242 488 D C 0.704 177.003 176.300 -0.002 0.000 1.285 488 D CA 0.281 54.298 54.000 0.028 0.000 0.886 488 D CB 0.679 41.477 40.800 -0.002 0.000 1.402 488 D HN 0.472 nan 8.370 nan 0.000 0.528 489 A N 2.839 125.676 122.820 0.028 0.000 1.940 489 A HA -0.176 4.124 4.320 -0.034 0.000 0.219 489 A C 2.074 179.653 177.584 -0.009 0.000 1.176 489 A CA 1.410 53.459 52.037 0.019 0.000 0.631 489 A CB -0.256 18.770 19.000 0.044 0.000 0.814 489 A HN 0.503 nan 8.150 nan 0.000 0.446 490 R N -0.150 120.345 120.500 -0.009 0.000 2.105 490 R HA -0.134 4.186 4.340 -0.034 0.000 0.239 490 R C 1.551 177.826 176.300 -0.041 0.000 1.135 490 R CA 1.940 58.026 56.100 -0.023 0.000 0.967 490 R CB -0.357 29.934 30.300 -0.015 0.000 0.861 490 R HN 0.613 nan 8.270 nan 0.000 0.442 491 T N -3.373 111.154 114.554 -0.045 0.000 3.186 491 T HA 0.246 4.575 4.350 -0.034 0.000 0.257 491 T C 0.853 175.505 174.700 -0.080 0.000 1.029 491 T CA 0.163 62.227 62.100 -0.060 0.000 0.916 491 T CB 0.749 69.584 68.868 -0.055 0.000 1.041 491 T HN 0.360 nan 8.240 nan 0.000 0.562 492 G N 2.419 111.175 108.800 -0.074 0.000 2.341 492 G HA2 -0.346 3.594 3.960 -0.034 0.000 0.292 492 G HA3 -0.346 3.594 3.960 -0.034 0.000 0.292 492 G C 0.042 174.855 174.900 -0.145 0.000 1.021 492 G CA 0.211 45.264 45.100 -0.079 0.000 0.905 492 G HN 0.899 nan 8.290 nan 0.000 0.508 493 R N 0.553 120.931 120.500 -0.205 0.000 2.522 493 R HA 0.430 4.749 4.340 -0.034 0.000 0.284 493 R C 0.872 176.784 176.300 -0.646 0.000 1.032 493 R CA 0.971 56.824 56.100 -0.412 0.000 1.049 493 R CB 0.231 30.276 30.300 -0.424 0.000 0.956 493 R HN 0.465 nan 8.270 nan 0.000 0.422 494 T N 0.674 114.757 114.554 -0.785 0.000 2.838 494 T HA 0.538 4.867 4.350 -0.034 0.000 0.292 494 T C -1.014 173.131 174.700 -0.926 0.000 1.113 494 T CA -0.961 60.678 62.100 -0.768 0.000 1.008 494 T CB 1.255 69.841 68.868 -0.471 0.000 1.259 494 T HN 0.555 nan 8.240 nan 0.000 0.520 495 W N 0.575 121.816 121.300 -0.099 0.000 2.839 495 W HA 0.596 5.235 4.660 -0.034 0.000 0.334 495 W C -1.151 175.345 176.519 -0.039 0.000 1.064 495 W CA -1.167 56.149 57.345 -0.049 0.000 1.236 495 W CB 1.660 31.101 29.460 -0.031 0.000 1.405 495 W HN 0.583 nan 8.180 nan 0.000 0.478 496 I N 4.889 125.552 120.570 0.155 0.000 2.354 496 I HA 0.290 4.439 4.170 -0.034 0.000 0.292 496 I C -0.133 176.073 176.117 0.149 0.000 0.989 496 I CA -0.964 60.407 61.300 0.119 0.000 1.188 496 I CB 1.367 39.405 38.000 0.063 0.000 1.342 496 I HN 0.038 nan 8.210 nan 0.000 0.457 497 I N 5.622 126.287 120.570 0.158 0.000 2.321 497 I HA 0.349 4.498 4.170 -0.034 0.000 0.291 497 I C 0.396 176.602 176.117 0.148 0.000 0.998 497 I CA -0.080 61.307 61.300 0.145 0.000 1.227 497 I CB 0.862 38.942 38.000 0.134 0.000 1.368 497 I HN 0.611 nan 8.210 nan 0.000 0.466 498 S N 5.231 121.005 115.700 0.124 0.000 2.704 498 S HA 0.575 5.024 4.470 -0.034 0.000 0.296 498 S C -0.647 174.013 174.600 0.100 0.000 1.138 498 S CA -0.862 57.410 58.200 0.120 0.000 0.875 498 S CB 2.766 66.021 63.200 0.093 0.000 1.151 498 S HN 0.557 nan 8.310 nan 0.000 0.500 499 N N 1.734 120.485 118.700 0.086 0.000 2.569 499 N HA 0.374 5.093 4.740 -0.034 0.000 0.254 499 N C -2.020 173.514 175.510 0.041 0.000 1.004 499 N CA -2.288 50.799 53.050 0.062 0.000 0.904 499 N CB 1.656 40.173 38.487 0.052 0.000 1.165 499 N HN 0.390 nan 8.380 nan 0.000 0.513 500 P HA -0.078 nan 4.420 nan 0.000 0.223 500 P C 0.129 177.440 177.300 0.018 0.000 1.144 500 P CA 1.172 64.290 63.100 0.030 0.000 0.783 500 P CB 0.566 32.288 31.700 0.036 0.000 0.771 501 E N -0.960 119.250 120.200 0.017 0.000 2.481 501 E HA 0.129 4.458 4.350 -0.034 0.000 0.198 501 E C 0.227 176.821 176.600 -0.009 0.000 1.027 501 E CA -0.097 56.307 56.400 0.007 0.000 0.900 501 E CB 0.376 30.085 29.700 0.014 0.000 0.993 501 E HN -0.001 nan 8.360 nan 0.000 0.482 502 S N 1.078 116.767 115.700 -0.018 0.000 2.707 502 S HA 0.329 4.778 4.470 -0.034 0.000 0.312 502 S C -0.973 173.590 174.600 -0.062 0.000 1.116 502 S CA -0.734 57.436 58.200 -0.049 0.000 1.078 502 S CB 0.382 63.542 63.200 -0.066 0.000 0.997 502 S HN -0.039 nan 8.310 nan 0.000 0.477 503 K N 2.930 123.291 120.400 -0.066 0.000 2.208 503 K HA 0.422 4.722 4.320 -0.034 0.000 0.247 503 K C -0.136 176.410 176.600 -0.090 0.000 0.953 503 K CA -1.046 55.202 56.287 -0.064 0.000 0.837 503 K CB 1.051 33.528 32.500 -0.039 0.000 1.131 503 K HN 0.748 nan 8.250 nan 0.000 0.431 504 N N 0.426 119.073 118.700 -0.088 0.000 2.364 504 N HA 0.016 4.735 4.740 -0.034 0.000 0.264 504 N C 0.707 176.183 175.510 -0.058 0.000 1.263 504 N CA -0.471 52.523 53.050 -0.094 0.000 0.959 504 N CB 0.319 38.756 38.487 -0.084 0.000 1.204 504 N HN 0.583 nan 8.380 nan 0.000 0.550 505 R N -0.665 119.808 120.500 -0.046 0.000 2.293 505 R HA -0.006 4.314 4.340 -0.034 0.000 0.219 505 R C 0.470 176.756 176.300 -0.023 0.000 1.091 505 R CA 1.161 57.243 56.100 -0.030 0.000 1.004 505 R CB -0.708 29.580 30.300 -0.020 0.000 0.865 505 R HN 0.576 nan 8.270 nan 0.000 0.469 506 L N 1.082 122.292 121.223 -0.023 0.000 2.685 506 L HA 0.172 4.491 4.340 -0.034 0.000 0.233 506 L C 0.239 177.099 176.870 -0.018 0.000 1.173 506 L CA -0.063 54.766 54.840 -0.017 0.000 0.961 506 L CB -0.639 41.411 42.059 -0.014 0.000 1.217 506 L HN 0.456 nan 8.230 nan 0.000 0.478 507 N N 1.158 119.845 118.700 -0.022 0.000 2.741 507 N HA -0.199 4.520 4.740 -0.034 0.000 0.250 507 N C 0.074 175.574 175.510 -0.018 0.000 1.115 507 N CA 0.275 53.313 53.050 -0.020 0.000 0.724 507 N CB -0.136 38.342 38.487 -0.015 0.000 1.090 507 N HN 0.368 nan 8.380 nan 0.000 0.558 508 E N 0.470 120.658 120.200 -0.021 0.000 2.183 508 E HA 0.478 4.807 4.350 -0.034 0.000 0.271 508 E C -2.589 174.000 176.600 -0.018 0.000 0.919 508 E CA -2.046 54.346 56.400 -0.014 0.000 0.781 508 E CB 1.265 30.959 29.700 -0.010 0.000 1.140 508 E HN 0.038 nan 8.360 nan 0.000 0.402 509 P HA -0.047 nan 4.420 nan 0.000 0.264 509 P C -0.693 176.610 177.300 0.005 0.000 1.193 509 P CA -0.139 62.961 63.100 -0.000 0.000 0.763 509 P CB 0.348 32.059 31.700 0.019 0.000 0.810 510 V N 1.847 121.754 119.914 -0.013 0.000 2.963 510 V HA 0.756 4.855 4.120 -0.034 0.000 0.306 510 V C 0.567 176.750 176.094 0.147 0.000 1.077 510 V CA 0.233 62.539 62.300 0.011 0.000 1.124 510 V CB 0.374 32.106 31.823 -0.150 0.000 0.987 510 V HN 0.736 nan 8.190 nan 0.000 0.487 511 G N 2.059 110.997 108.800 0.230 0.000 2.600 511 G HA2 0.597 4.537 3.960 -0.034 0.000 0.293 511 G HA3 0.597 4.537 3.960 -0.034 0.000 0.293 511 G C -2.337 172.702 174.900 0.231 0.000 1.408 511 G CA -0.739 44.505 45.100 0.240 0.000 0.782 511 G HN 0.749 nan 8.290 nan 0.000 0.482 512 Y N -0.072 120.260 120.300 0.054 0.000 2.442 512 Y HA 0.612 5.141 4.550 -0.034 0.000 0.344 512 Y C 0.081 176.014 175.900 0.056 0.000 0.976 512 Y CA -0.797 57.320 58.100 0.028 0.000 1.040 512 Y CB 2.759 41.204 38.460 -0.025 0.000 1.228 512 Y HN 0.506 nan 8.280 nan 0.000 0.451 513 K N 4.222 124.690 120.400 0.113 0.000 2.235 513 K HA 0.507 4.807 4.320 -0.034 0.000 0.266 513 K C -1.621 175.021 176.600 0.071 0.000 0.980 513 K CA -0.852 55.461 56.287 0.043 0.000 0.849 513 K CB 0.964 33.420 32.500 -0.074 0.000 1.098 513 K HN 0.630 nan 8.250 nan 0.000 0.445 514 L N 5.083 126.347 121.223 0.069 0.000 2.281 514 L HA 0.267 4.586 4.340 -0.034 0.000 0.285 514 L C -1.319 175.558 176.870 0.011 0.000 1.074 514 L CA 0.149 55.067 54.840 0.129 0.000 0.817 514 L CB 0.353 42.497 42.059 0.141 0.000 1.168 514 L HN 0.653 nan 8.230 nan 0.000 0.434 515 H N 4.529 123.706 119.070 0.179 0.000 2.581 515 H HA 0.699 5.235 4.556 -0.034 0.000 0.308 515 H C -0.043 175.418 175.328 0.221 0.000 1.040 515 H CA 0.004 56.151 56.048 0.164 0.000 1.231 515 H CB 1.268 31.112 29.762 0.137 0.000 1.396 515 H HN 0.878 nan 8.280 nan 0.000 0.467 516 A N 2.261 125.276 122.820 0.324 0.000 2.264 516 A HA 0.213 4.513 4.320 -0.034 0.000 0.304 516 A C 0.411 178.281 177.584 0.477 0.000 1.100 516 A CA -0.543 51.723 52.037 0.381 0.000 0.839 516 A CB 0.512 19.776 19.000 0.439 0.000 1.121 516 A HN 1.020 nan 8.150 nan 0.000 0.496 517 H N 0.630 119.880 119.070 0.299 0.000 2.548 517 H HA -0.005 4.530 4.556 -0.034 0.000 0.268 517 H C -0.120 175.325 175.328 0.195 0.000 0.975 517 H CA 0.296 56.469 56.048 0.210 0.000 1.195 517 H CB 0.189 30.066 29.762 0.191 0.000 1.397 517 H HN 0.753 nan 8.280 nan 0.000 0.572 518 N N 1.889 120.811 118.700 0.371 0.000 2.754 518 N HA -0.162 4.558 4.740 -0.034 0.000 0.248 518 N C -0.599 175.041 175.510 0.217 0.000 1.093 518 N CA 0.528 53.742 53.050 0.275 0.000 0.699 518 N CB -0.913 37.696 38.487 0.203 0.000 1.016 518 N HN 0.508 nan 8.380 nan 0.000 0.552 519 Q N -0.115 119.829 119.800 0.240 0.000 2.382 519 Q HA 0.366 4.685 4.340 -0.034 0.000 0.229 519 Q C -1.826 174.253 176.000 0.132 0.000 1.006 519 Q CA -1.056 54.852 55.803 0.175 0.000 0.916 519 Q CB 0.175 29.030 28.738 0.194 0.000 1.235 519 Q HN 0.131 nan 8.270 nan 0.000 0.512 520 P HA -0.003 nan 4.420 nan 0.000 0.268 520 P C -0.234 177.085 177.300 0.031 0.000 1.205 520 P CA 0.237 63.370 63.100 0.055 0.000 0.771 520 P CB 0.466 32.185 31.700 0.032 0.000 0.858 521 T N 0.210 114.775 114.554 0.018 0.000 2.891 521 T HA 0.305 4.634 4.350 -0.034 0.000 0.294 521 T C 0.293 174.953 174.700 -0.067 0.000 1.065 521 T CA -0.906 61.183 62.100 -0.019 0.000 0.936 521 T CB 0.047 68.915 68.868 -0.001 0.000 1.415 521 T HN 0.185 nan 8.240 nan 0.000 0.572 522 L N 1.030 122.184 121.223 -0.114 0.000 2.628 522 L HA 0.124 4.444 4.340 -0.034 0.000 0.274 522 L C 0.799 177.620 176.870 -0.082 0.000 1.209 522 L CA 0.255 55.014 54.840 -0.136 0.000 0.930 522 L CB -0.563 41.390 42.059 -0.178 0.000 1.183 522 L HN 0.652 nan 8.230 nan 0.000 0.492 523 L N 5.000 126.176 121.223 -0.079 0.000 2.375 523 L HA 0.216 4.535 4.340 -0.034 0.000 0.215 523 L C 1.470 178.325 176.870 -0.024 0.000 1.108 523 L CA 0.268 55.084 54.840 -0.039 0.000 0.830 523 L CB -0.518 41.522 42.059 -0.032 0.000 0.959 523 L HN 0.852 nan 8.230 nan 0.000 0.457 524 A N 0.701 123.499 122.820 -0.037 0.000 2.583 524 A HA -0.123 4.177 4.320 -0.034 0.000 0.231 524 A C 0.314 177.896 177.584 -0.004 0.000 1.065 524 A CA -0.024 52.004 52.037 -0.015 0.000 0.760 524 A CB -0.076 18.913 19.000 -0.019 0.000 1.001 524 A HN 0.290 nan 8.150 nan 0.000 0.509 525 D N 1.511 121.918 120.400 0.011 0.000 2.472 525 D HA 0.049 4.669 4.640 -0.034 0.000 0.237 525 D C -1.461 174.843 176.300 0.006 0.000 1.141 525 D CA -1.044 52.963 54.000 0.013 0.000 0.875 525 D CB 0.805 41.618 40.800 0.021 0.000 1.192 525 D HN 0.152 nan 8.370 nan 0.000 0.450 526 P HA -0.069 nan 4.420 nan 0.000 0.217 526 P C 0.983 178.284 177.300 0.001 0.000 1.148 526 P CA 1.183 64.283 63.100 0.001 0.000 0.828 526 P CB 0.148 31.849 31.700 0.002 0.000 0.783 527 G N -1.128 107.674 108.800 0.005 0.000 3.042 527 G HA2 0.026 3.966 3.960 -0.034 0.000 0.212 527 G HA3 0.026 3.966 3.960 -0.034 0.000 0.212 527 G C 0.408 175.310 174.900 0.003 0.000 1.166 527 G CA 0.074 45.175 45.100 0.003 0.000 0.767 527 G HN 0.374 nan 8.290 nan 0.000 0.546 528 S N -0.494 115.212 115.700 0.011 0.000 2.600 528 S HA 0.255 4.704 4.470 -0.034 0.000 0.265 528 S C 1.589 176.186 174.600 -0.006 0.000 1.325 528 S CA 0.458 58.673 58.200 0.025 0.000 1.002 528 S CB 1.648 64.875 63.200 0.045 0.000 0.921 528 S HN 0.075 nan 8.310 nan 0.000 0.554 529 S N 0.635 116.317 115.700 -0.030 0.000 2.383 529 S HA -0.129 4.321 4.470 -0.034 0.000 0.227 529 S C 1.650 176.216 174.600 -0.055 0.000 1.026 529 S CA 1.059 59.176 58.200 -0.138 0.000 0.981 529 S CB -0.802 62.124 63.200 -0.457 0.000 0.818 529 S HN 0.712 nan 8.310 nan 0.000 0.472 530 I N 2.057 122.643 120.570 0.027 0.000 2.394 530 I HA 0.054 4.204 4.170 -0.034 0.000 0.251 530 I C 2.281 178.413 176.117 0.025 0.000 1.136 530 I CA 1.275 62.616 61.300 0.069 0.000 1.425 530 I CB -0.882 37.156 38.000 0.063 0.000 1.079 530 I HN 0.306 nan 8.210 nan 0.000 0.425 531 A N 0.306 123.125 122.820 -0.003 0.000 2.019 531 A HA -0.177 4.123 4.320 -0.034 0.000 0.219 531 A C 2.429 180.006 177.584 -0.011 0.000 1.164 531 A CA 1.585 53.610 52.037 -0.021 0.000 0.644 531 A CB -0.546 18.445 19.000 -0.015 0.000 0.805 531 A HN 0.482 nan 8.150 nan 0.000 0.449 532 R N -1.075 119.421 120.500 -0.007 0.000 2.080 532 R HA 0.083 4.403 4.340 -0.034 0.000 0.222 532 R C 2.272 178.570 176.300 -0.003 0.000 1.107 532 R CA 0.988 57.081 56.100 -0.011 0.000 0.980 532 R CB -0.165 30.118 30.300 -0.027 0.000 0.879 532 R HN 0.419 nan 8.270 nan 0.000 0.439 533 R N 0.178 120.695 120.500 0.029 0.000 2.193 533 R HA 0.102 4.421 4.340 -0.034 0.000 0.213 533 R C 0.786 177.191 176.300 0.176 0.000 1.055 533 R CA 1.002 57.135 56.100 0.055 0.000 0.995 533 R CB 0.347 30.693 30.300 0.077 0.000 0.893 533 R HN 0.053 nan 8.270 nan 0.000 0.459 534 A N 0.141 123.075 122.820 0.190 0.000 2.985 534 A HA 0.502 4.802 4.320 -0.034 0.000 0.303 534 A C 1.136 178.648 177.584 -0.120 0.000 1.048 534 A CA -0.108 52.038 52.037 0.181 0.000 1.016 534 A CB 0.317 19.351 19.000 0.056 0.000 1.118 534 A HN 0.221 nan 8.150 nan 0.000 0.529 535 A N 0.361 123.172 122.820 -0.015 0.000 1.986 535 A HA -0.074 4.225 4.320 -0.034 0.000 0.220 535 A C 1.806 179.395 177.584 0.008 0.000 1.171 535 A CA 1.900 53.931 52.037 -0.010 0.000 0.640 535 A CB -0.968 18.041 19.000 0.014 0.000 0.811 535 A HN 1.412 nan 8.150 nan 0.000 0.451 536 F N -0.055 119.774 119.950 -0.202 0.000 2.202 536 F HA -0.016 4.490 4.527 -0.035 0.000 0.301 536 F C 2.071 177.950 175.800 0.133 0.000 1.082 536 F CA 0.848 58.648 58.000 -0.332 0.000 1.313 536 F CB -1.002 37.681 39.000 -0.528 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.495 537 A N 0.483 122.547 122.820 -1.260 0.000 2.209 537 A HA -0.040 4.259 4.320 -0.034 0.000 0.212 537 A C 2.137 179.556 177.584 -0.274 0.000 1.158 537 A CA 1.451 52.961 52.037 -0.877 0.000 0.742 537 A CB -1.530 16.819 19.000 -1.085 0.000 0.790 537 A HN 0.600 nan 8.150 nan 0.000 0.472 538 T N -3.475 111.021 114.554 -0.098 0.000 3.088 538 T HA 0.169 4.499 4.350 -0.034 0.000 0.259 538 T C 0.633 175.348 174.700 0.026 0.000 1.122 538 T CA 0.311 62.401 62.100 -0.016 0.000 1.095 538 T CB 0.074 68.951 68.868 0.015 0.000 0.930 538 T HN 0.130 nan 8.240 nan 0.000 0.508 539 K N 1.023 121.491 120.400 0.112 0.000 2.469 539 K HA 0.361 4.661 4.320 -0.034 0.000 0.254 539 K C -0.505 176.147 176.600 0.087 0.000 0.939 539 K CA -0.449 55.826 56.287 -0.020 0.000 0.812 539 K CB 2.202 34.455 32.500 -0.411 0.000 1.301 539 K HN -0.040 nan 8.250 nan 0.000 0.433 540 D N 0.457 120.869 120.400 0.020 0.000 2.144 540 D HA -0.064 4.556 4.640 -0.034 0.000 0.200 540 D C 0.093 176.433 176.300 0.067 0.000 0.978 540 D CA 0.935 54.992 54.000 0.096 0.000 0.833 540 D CB 0.247 41.143 40.800 0.161 0.000 0.961 540 D HN 0.124 nan 8.370 nan 0.000 0.470 541 L N -0.446 120.653 121.223 -0.206 0.000 2.464 541 L HA 0.459 4.778 4.340 -0.034 0.000 0.266 541 L C -2.008 174.723 176.870 -0.230 0.000 0.965 541 L CA -0.633 54.059 54.840 -0.247 0.000 0.833 541 L CB 1.519 43.005 42.059 -0.956 0.000 1.296 541 L HN -0.122 nan 8.230 nan 0.000 0.405 542 W N 4.184 125.474 121.300 -0.017 0.000 2.819 542 W HA 0.779 5.418 4.660 -0.034 0.000 0.337 542 W C -1.184 175.432 176.519 0.162 0.000 1.077 542 W CA -0.839 56.529 57.345 0.038 0.000 1.226 542 W CB 2.032 31.490 29.460 -0.004 0.000 1.419 542 W HN 0.173 nan 8.180 nan 0.000 0.502 543 V N 2.656 122.777 119.914 0.346 0.000 2.525 543 V HA 0.686 4.785 4.120 -0.034 0.000 0.299 543 V C -0.098 176.177 176.094 0.302 0.000 1.034 543 V CA -0.790 61.700 62.300 0.317 0.000 0.863 543 V CB 1.428 33.356 31.823 0.175 0.000 0.999 543 V HN 0.602 nan 8.190 nan 0.000 0.423 544 T N 1.665 116.444 114.554 0.375 0.000 2.926 544 T HA 0.772 5.101 4.350 -0.034 0.000 0.289 544 T C -0.461 174.372 174.700 0.222 0.000 1.054 544 T CA -0.965 61.305 62.100 0.282 0.000 1.015 544 T CB 2.166 71.223 68.868 0.316 0.000 1.167 544 T HN 0.488 nan 8.240 nan 0.000 0.526 545 R N 0.655 121.241 120.500 0.143 0.000 2.390 545 R HA 0.364 4.684 4.340 -0.034 0.000 0.291 545 R C -0.872 175.483 176.300 0.091 0.000 1.070 545 R CA -0.964 55.203 56.100 0.112 0.000 1.014 545 R CB -0.437 29.904 30.300 0.068 0.000 1.007 545 R HN 0.778 nan 8.270 nan 0.000 0.466 546 Y N 3.000 123.297 120.300 -0.005 0.000 2.702 546 Y HA 0.304 4.833 4.550 -0.034 0.000 0.336 546 Y C -0.771 175.078 175.900 -0.086 0.000 1.235 546 Y CA 0.829 58.896 58.100 -0.055 0.000 1.492 546 Y CB 0.524 38.917 38.460 -0.111 0.000 1.308 546 Y HN 0.730 nan 8.280 nan 0.000 0.589 547 A N 4.879 127.010 122.820 -1.149 0.000 2.465 547 A HA 0.296 4.595 4.320 -0.034 0.000 0.292 547 A C -0.013 176.942 177.584 -1.048 0.000 1.041 547 A CA -0.597 50.903 52.037 -0.894 0.000 0.718 547 A CB 0.854 19.570 19.000 -0.474 0.000 1.266 547 A HN 0.818 nan 8.150 nan 0.000 0.403 548 D N 1.039 120.985 120.400 -0.757 0.000 2.228 548 D HA -0.158 4.462 4.640 -0.034 0.000 0.203 548 D C 1.036 177.161 176.300 -0.292 0.000 0.988 548 D CA 2.124 55.891 54.000 -0.389 0.000 0.864 548 D CB 0.272 40.994 40.800 -0.130 0.000 0.928 548 D HN 0.706 nan 8.370 nan 0.000 0.469 549 D N -0.048 120.173 120.400 -0.298 0.000 2.368 549 D HA -0.046 4.573 4.640 -0.034 0.000 0.218 549 D C -0.309 175.808 176.300 -0.305 0.000 1.112 549 D CA 0.043 53.907 54.000 -0.226 0.000 0.834 549 D CB -0.276 40.441 40.800 -0.138 0.000 0.953 549 D HN 0.178 nan 8.370 nan 0.000 0.505 550 E N 0.859 120.786 120.200 -0.454 0.000 2.267 550 E HA 0.324 4.654 4.350 -0.034 0.000 0.241 550 E C 0.399 176.820 176.600 -0.299 0.000 0.950 550 E CA -0.301 55.720 56.400 -0.631 0.000 0.776 550 E CB 1.195 30.261 29.700 -1.057 0.000 1.207 550 E HN 0.130 nan 8.360 nan 0.000 0.436 551 R N 0.950 121.250 120.500 -0.333 0.000 2.167 551 R HA 0.120 4.440 4.340 -0.034 0.000 0.201 551 R C -0.014 175.965 176.300 -0.536 0.000 1.024 551 R CA 0.615 56.365 56.100 -0.585 0.000 1.053 551 R CB 0.399 30.022 30.300 -1.127 0.000 0.987 551 R HN 0.276 nan 8.270 nan 0.000 0.493 552 Y N 0.501 120.915 120.300 0.189 0.000 2.446 552 Y HA 0.304 4.834 4.550 -0.034 0.000 0.345 552 Y C -1.764 174.153 175.900 0.029 0.000 0.984 552 Y CA -3.276 54.905 58.100 0.135 0.000 1.058 552 Y CB 1.158 39.584 38.460 -0.057 0.000 1.220 552 Y HN -0.173 nan 8.280 nan 0.000 0.455 553 P HA -0.093 nan 4.420 nan 0.000 0.230 553 P C 0.634 177.670 177.300 -0.441 0.000 1.158 553 P CA 1.443 64.242 63.100 -0.502 0.000 0.769 553 P CB 0.171 31.486 31.700 -0.642 0.000 0.807 554 T N -4.989 109.402 114.554 -0.272 0.000 3.044 554 T HA 0.509 4.839 4.350 -0.034 0.000 0.260 554 T C 0.880 175.414 174.700 -0.278 0.000 1.019 554 T CA 0.126 62.084 62.100 -0.235 0.000 0.921 554 T CB 0.030 68.806 68.868 -0.154 0.000 1.053 554 T HN 0.333 nan 8.240 nan 0.000 0.533 555 G N 1.415 110.115 108.800 -0.168 0.000 2.712 555 G HA2 -0.137 3.802 3.960 -0.034 0.000 0.683 555 G HA3 -0.137 3.802 3.960 -0.034 0.000 0.683 555 G C -0.267 174.597 174.900 -0.060 0.000 1.320 555 G CA -0.145 44.879 45.100 -0.126 0.000 0.847 555 G HN 0.143 nan 8.290 nan 0.000 0.553 556 D N -0.581 119.738 120.400 -0.136 0.000 2.183 556 D HA 0.052 4.671 4.640 -0.034 0.000 0.203 556 D C 0.826 176.633 176.300 -0.822 0.000 0.969 556 D CA 1.496 55.242 54.000 -0.424 0.000 0.842 556 D CB 0.022 40.412 40.800 -0.682 0.000 0.957 556 D HN 0.219 nan 8.370 nan 0.000 0.484 557 F N 0.486 120.363 119.950 -0.121 0.000 2.443 557 F HA 0.207 4.713 4.527 -0.035 0.000 0.369 557 F C 1.117 176.833 175.800 -0.140 0.000 1.090 557 F CA -0.625 57.289 58.000 -0.143 0.000 1.129 557 F CB 1.336 40.252 39.000 -0.139 0.000 1.367 557 F HN -0.355 nan 8.300 nan 0.000 0.465 558 V N 0.114 119.957 119.914 -0.119 0.000 2.488 558 V HA -0.162 3.937 4.120 -0.034 0.000 0.246 558 V C 1.229 177.201 176.094 -0.203 0.000 1.046 558 V CA 0.666 62.802 62.300 -0.273 0.000 1.053 558 V CB -0.514 31.022 31.823 -0.479 0.000 0.679 558 V HN 0.652 nan 8.190 nan 0.000 0.458 559 N N 1.502 120.140 118.700 -0.103 0.000 2.374 559 N HA -0.071 4.648 4.740 -0.034 0.000 0.269 559 N C 0.488 175.983 175.510 -0.025 0.000 1.310 559 N CA 0.745 53.761 53.050 -0.057 0.000 0.877 559 N CB -0.304 38.160 38.487 -0.038 0.000 1.096 559 N HN 0.464 nan 8.380 nan 0.000 0.484 560 Q N 0.160 119.949 119.800 -0.018 0.000 2.481 560 Q HA -0.300 4.020 4.340 -0.034 0.000 0.272 560 Q C -0.827 175.150 176.000 -0.039 0.000 1.157 560 Q CA 0.733 56.523 55.803 -0.020 0.000 0.935 560 Q CB -1.506 27.217 28.738 -0.026 0.000 1.338 560 Q HN 0.661 nan 8.270 nan 0.000 0.494 561 H N 0.116 119.114 119.070 -0.120 0.000 2.562 561 H HA 0.194 4.729 4.556 -0.035 0.000 0.314 561 H C 1.266 176.519 175.328 -0.126 0.000 1.079 561 H CA 0.646 56.625 56.048 -0.115 0.000 1.349 561 H CB 1.100 30.789 29.762 -0.122 0.000 1.432 561 H HN 0.293 nan 8.280 nan 0.000 0.479 562 S N 3.244 118.842 115.700 -0.170 0.000 2.392 562 S HA -0.065 4.385 4.470 -0.034 0.000 0.232 562 S C 1.097 175.723 174.600 0.043 0.000 1.041 562 S CA 0.913 59.063 58.200 -0.084 0.000 1.026 562 S CB -0.235 62.872 63.200 -0.154 0.000 0.845 562 S HN 1.113 nan 8.310 nan 0.000 0.465 563 G N -1.367 107.599 108.800 0.277 0.000 2.354 563 G HA2 0.477 4.417 3.960 -0.034 0.000 0.582 563 G HA3 0.477 4.417 3.960 -0.034 0.000 0.582 563 G C 0.526 175.449 174.900 0.037 0.000 1.316 563 G CA 0.199 45.352 45.100 0.090 0.000 0.995 563 G HN 1.579 nan 8.290 nan 0.000 0.573 564 G N -1.227 107.543 108.800 -0.051 0.000 2.257 564 G HA2 0.165 4.104 3.960 -0.034 0.000 0.267 564 G HA3 0.165 4.104 3.960 -0.034 0.000 0.267 564 G C 1.317 176.109 174.900 -0.181 0.000 0.984 564 G CA 1.627 46.676 45.100 -0.085 0.000 0.626 564 G HN 2.547 nan 8.290 nan 0.000 0.540 565 A N -0.195 122.468 122.820 -0.262 0.000 2.366 565 A HA 0.757 5.057 4.320 -0.034 0.000 0.250 565 A C 2.003 179.280 177.584 -0.513 0.000 1.099 565 A CA 1.919 53.710 52.037 -0.410 0.000 0.794 565 A CB -0.131 18.447 19.000 -0.704 0.000 1.056 565 A HN 2.534 nan 8.150 nan 0.000 0.499 566 G N -1.130 107.248 108.800 -0.702 0.000 2.528 566 G HA2 -0.228 3.711 3.960 -0.034 0.000 0.262 566 G HA3 -0.228 3.711 3.960 -0.034 0.000 0.262 566 G C 0.860 174.819 174.900 -1.568 0.000 1.200 566 G CA 0.260 44.718 45.100 -1.070 0.000 0.951 566 G HN 1.220 nan 8.290 nan 0.000 0.566 567 L N 1.495 122.018 121.223 -1.167 0.000 2.054 567 L HA -0.175 4.145 4.340 -0.034 0.000 0.220 567 L C 0.388 176.897 176.870 -0.601 0.000 1.081 567 L CA 2.960 57.212 54.840 -0.980 0.000 0.780 567 L CB -1.479 39.752 42.059 -1.380 0.000 0.893 567 L HN 0.435 nan 8.230 nan 0.000 0.438 568 P HA -0.130 nan 4.420 nan 0.000 0.216 568 P C 1.693 178.893 177.300 -0.166 0.000 1.150 568 P CA 1.463 64.468 63.100 -0.159 0.000 0.837 568 P CB 0.095 31.719 31.700 -0.127 0.000 0.786 569 S N -1.992 113.511 115.700 -0.329 0.000 2.371 569 S HA -0.121 4.329 4.470 -0.034 0.000 0.224 569 S C 1.705 176.256 174.600 -0.081 0.000 1.029 569 S CA 0.998 59.067 58.200 -0.219 0.000 0.978 569 S CB -1.022 62.011 63.200 -0.278 0.000 0.833 569 S HN 0.108 nan 8.310 nan 0.000 0.466 570 Y N 1.830 122.052 120.300 -0.131 0.000 2.114 570 Y HA -0.009 4.520 4.550 -0.034 0.000 0.284 570 Y C 2.315 178.183 175.900 -0.054 0.000 1.143 570 Y CA -0.335 57.696 58.100 -0.115 0.000 1.135 570 Y CB -1.129 37.214 38.460 -0.195 0.000 0.980 570 Y HN 0.165 nan 8.280 nan 0.000 0.499 571 I N 0.252 120.891 120.570 0.117 0.000 2.315 571 I HA -0.288 3.861 4.170 -0.034 0.000 0.251 571 I C 2.422 178.589 176.117 0.084 0.000 1.125 571 I CA 1.484 62.857 61.300 0.122 0.000 1.392 571 I CB -1.647 36.464 38.000 0.185 0.000 1.065 571 I HN 0.182 nan 8.210 nan 0.000 0.424 572 A N 0.106 122.960 122.820 0.058 0.000 2.125 572 A HA -0.206 4.094 4.320 -0.034 0.000 0.219 572 A C 2.094 179.702 177.584 0.041 0.000 1.156 572 A CA 1.049 53.110 52.037 0.040 0.000 0.671 572 A CB -0.569 18.442 19.000 0.019 0.000 0.794 572 A HN 0.563 nan 8.150 nan 0.000 0.459 573 Q N -1.067 118.764 119.800 0.053 0.000 2.472 573 Q HA -0.058 4.261 4.340 -0.034 0.000 0.208 573 Q C 0.054 176.079 176.000 0.041 0.000 0.958 573 Q CA 0.341 56.170 55.803 0.043 0.000 0.932 573 Q CB -0.040 28.725 28.738 0.045 0.000 1.007 573 Q HN 0.585 nan 8.270 nan 0.000 0.508 574 D N 1.332 121.761 120.400 0.048 0.000 2.692 574 D HA -0.188 4.431 4.640 -0.034 0.000 0.233 574 D C -0.877 175.449 176.300 0.044 0.000 1.172 574 D CA 0.678 54.705 54.000 0.045 0.000 0.636 574 D CB -0.540 40.281 40.800 0.035 0.000 1.028 574 D HN 0.237 nan 8.370 nan 0.000 0.419 575 R N 0.381 120.911 120.500 0.050 0.000 2.560 575 R HA 0.327 4.647 4.340 -0.034 0.000 0.270 575 R C 0.223 176.555 176.300 0.052 0.000 1.074 575 R CA -0.616 55.512 56.100 0.046 0.000 1.140 575 R CB 0.429 30.755 30.300 0.043 0.000 1.073 575 R HN 0.158 nan 8.270 nan 0.000 0.527 576 D N 1.838 122.267 120.400 0.047 0.000 2.383 576 D HA 0.036 4.655 4.640 -0.034 0.000 0.252 576 D C 0.481 176.819 176.300 0.062 0.000 1.166 576 D CA -0.045 53.985 54.000 0.051 0.000 0.879 576 D CB 0.535 41.361 40.800 0.043 0.000 1.164 576 D HN 0.547 nan 8.370 nan 0.000 0.462 577 I N -0.119 120.492 120.570 0.070 0.000 4.050 577 I HA 0.354 4.503 4.170 -0.034 0.000 0.327 577 I C 0.067 176.232 176.117 0.080 0.000 1.473 577 I CA -0.522 60.828 61.300 0.083 0.000 1.124 577 I CB 0.470 38.530 38.000 0.099 0.000 1.129 577 I HN 0.088 nan 8.210 nan 0.000 0.428 578 D N 2.803 123.243 120.400 0.068 0.000 2.468 578 D HA 0.383 5.003 4.640 -0.034 0.000 0.218 578 D C 1.072 177.409 176.300 0.061 0.000 1.155 578 D CA 0.439 54.477 54.000 0.064 0.000 0.924 578 D CB 0.506 41.338 40.800 0.054 0.000 1.029 578 D HN 0.544 nan 8.370 nan 0.000 0.515 579 G N 3.163 112.004 108.800 0.068 0.000 2.303 579 G HA2 -0.178 3.762 3.960 -0.034 0.000 0.260 579 G HA3 -0.178 3.762 3.960 -0.034 0.000 0.260 579 G C -0.097 174.846 174.900 0.072 0.000 1.106 579 G CA -0.317 44.823 45.100 0.067 0.000 0.900 579 G HN 0.479 nan 8.290 nan 0.000 0.495 580 Q N -0.718 119.132 119.800 0.083 0.000 2.683 580 Q HA 0.404 4.723 4.340 -0.034 0.000 0.302 580 Q C -0.942 175.121 176.000 0.105 0.000 1.042 580 Q CA -0.922 54.932 55.803 0.084 0.000 0.773 580 Q CB 0.978 29.761 28.738 0.074 0.000 1.508 580 Q HN 0.218 nan 8.270 nan 0.000 0.459 581 D N 1.884 122.336 120.400 0.087 0.000 2.348 581 D HA 0.270 4.890 4.640 -0.034 0.000 0.259 581 D C -0.363 176.007 176.300 0.116 0.000 1.296 581 D CA 0.095 54.138 54.000 0.071 0.000 0.931 581 D CB -0.367 40.374 40.800 -0.098 0.000 1.067 581 D HN 0.427 nan 8.370 nan 0.000 0.503 582 I N -0.015 120.639 120.570 0.139 0.000 3.067 582 I HA 0.686 4.835 4.170 -0.034 0.000 0.312 582 I C -0.891 175.306 176.117 0.133 0.000 1.073 582 I CA -1.111 60.278 61.300 0.149 0.000 1.016 582 I CB 2.180 40.262 38.000 0.137 0.000 1.227 582 I HN -0.103 nan 8.210 nan 0.000 0.456 583 V N 3.372 123.372 119.914 0.143 0.000 2.638 583 V HA 0.426 4.525 4.120 -0.034 0.000 0.306 583 V C -0.194 175.922 176.094 0.036 0.000 1.052 583 V CA -0.676 61.634 62.300 0.018 0.000 0.885 583 V CB 1.853 33.647 31.823 -0.048 0.000 0.999 583 V HN 0.564 nan 8.190 nan 0.000 0.424 584 V N 3.518 123.378 119.914 -0.091 0.000 2.427 584 V HA 0.466 4.565 4.120 -0.034 0.000 0.286 584 V C -1.137 174.903 176.094 -0.090 0.000 1.034 584 V CA -0.452 61.862 62.300 0.023 0.000 0.893 584 V CB 1.614 33.441 31.823 0.007 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.452 585 W N 4.050 125.402 121.300 0.086 0.000 2.336 585 W HA 0.500 5.139 4.660 -0.035 0.000 0.315 585 W C -0.167 176.459 176.519 0.178 0.000 1.016 585 W CA -0.672 56.729 57.345 0.094 0.000 1.318 585 W CB 0.459 29.947 29.460 0.048 0.000 1.247 585 W HN 0.605 nan 8.180 nan 0.000 0.414 586 H N 1.658 120.814 119.070 0.144 0.000 2.519 586 H HA 0.515 5.051 4.556 -0.034 0.000 0.316 586 H C -0.293 175.204 175.328 0.283 0.000 1.065 586 H CA -0.198 55.897 56.048 0.077 0.000 1.264 586 H CB 0.994 30.603 29.762 -0.255 0.000 1.413 586 H HN 0.164 nan 8.280 nan 0.000 0.465 587 T N 7.223 121.780 114.554 0.005 0.000 2.806 587 T HA 0.431 4.760 4.350 -0.034 0.000 0.290 587 T C -1.007 173.577 174.700 -0.193 0.000 0.966 587 T CA -0.224 61.888 62.100 0.020 0.000 1.060 587 T CB -0.252 68.724 68.868 0.180 0.000 0.927 587 T HN 0.505 nan 8.240 nan 0.000 0.485 588 F N -0.161 119.676 119.950 -0.188 0.000 2.650 588 F HA 0.823 5.330 4.527 -0.034 0.000 0.310 588 F C -0.301 175.587 175.800 0.147 0.000 1.112 588 F CA -1.111 56.837 58.000 -0.087 0.000 0.986 588 F CB 1.013 39.925 39.000 -0.146 0.000 1.285 588 F HN 0.804 nan 8.300 nan 0.000 0.440 589 G N 1.778 110.679 108.800 0.168 0.000 2.600 589 G HA2 0.606 4.546 3.960 -0.034 0.000 0.293 589 G HA3 0.606 4.546 3.960 -0.034 0.000 0.293 589 G C -2.468 172.533 174.900 0.168 0.000 1.408 589 G CA -1.153 44.046 45.100 0.166 0.000 0.782 589 G HN 0.829 nan 8.290 nan 0.000 0.482 590 L N 0.484 121.804 121.223 0.162 0.000 2.317 590 L HA 0.573 4.893 4.340 -0.034 0.000 0.281 590 L C -0.098 176.764 176.870 -0.013 0.000 1.024 590 L CA -0.675 54.223 54.840 0.096 0.000 0.810 590 L CB 2.313 44.446 42.059 0.124 0.000 1.240 590 L HN 0.412 nan 8.230 nan 0.000 0.427 591 T N 0.949 115.442 114.554 -0.101 0.000 2.756 591 T HA 0.240 4.569 4.350 -0.034 0.000 0.290 591 T C -0.658 173.810 174.700 -0.387 0.000 0.985 591 T CA -0.242 61.680 62.100 -0.296 0.000 0.955 591 T CB 0.140 68.841 68.868 -0.278 0.000 0.930 591 T HN 0.423 nan 8.240 nan 0.000 0.451 592 H N 3.000 121.654 119.070 -0.693 0.000 2.541 592 H HA 0.402 4.938 4.556 -0.033 0.000 0.316 592 H C -1.131 173.717 175.328 -0.799 0.000 1.043 592 H CA -1.083 54.581 56.048 -0.640 0.000 1.232 592 H CB 0.384 29.786 29.762 -0.601 0.000 1.406 592 H HN 0.437 nan 8.280 nan 0.000 0.469 593 F N 6.572 126.460 119.950 -0.102 0.000 2.307 593 F HA 0.277 4.782 4.527 -0.035 0.000 0.369 593 F C -2.072 173.715 175.800 -0.021 0.000 1.076 593 F CA -2.617 55.178 58.000 -0.341 0.000 1.149 593 F CB 0.827 39.519 39.000 -0.515 0.000 1.410 593 F HN 0.514 nan 8.300 nan 0.000 0.481 594 P HA 0.022 nan 4.420 nan 0.000 0.263 594 P C -0.289 177.126 177.300 0.192 0.000 1.175 594 P CA 0.357 63.493 63.100 0.060 0.000 0.761 594 P CB 0.577 32.276 31.700 -0.002 0.000 0.794 595 R N 1.791 122.421 120.500 0.216 0.000 2.758 595 R HA 0.344 4.664 4.340 -0.034 0.000 0.265 595 R C 1.203 177.592 176.300 0.147 0.000 1.016 595 R CA -1.012 55.181 56.100 0.156 0.000 1.040 595 R CB 0.499 30.884 30.300 0.141 0.000 1.152 595 R HN 0.107 nan 8.270 nan 0.000 0.503 596 V N 1.357 121.334 119.914 0.105 0.000 2.469 596 V HA -0.221 3.879 4.120 -0.034 0.000 0.251 596 V C 1.461 177.652 176.094 0.162 0.000 1.064 596 V CA 1.855 64.226 62.300 0.118 0.000 1.066 596 V CB -0.533 31.332 31.823 0.071 0.000 0.667 596 V HN 0.700 nan 8.190 nan 0.000 0.461 597 E N 0.048 120.322 120.200 0.124 0.000 2.333 597 E HA -0.173 4.157 4.350 -0.034 0.000 0.198 597 E C 1.643 178.315 176.600 0.121 0.000 1.007 597 E CA 0.948 57.410 56.400 0.104 0.000 0.845 597 E CB -0.232 29.512 29.700 0.074 0.000 0.766 597 E HN 0.588 nan 8.360 nan 0.000 0.507 598 D N -1.036 119.473 120.400 0.181 0.000 2.355 598 D HA -0.067 4.553 4.640 -0.034 0.000 0.218 598 D C -0.189 176.251 176.300 0.234 0.000 1.004 598 D CA 0.282 54.403 54.000 0.202 0.000 0.880 598 D CB 0.106 41.083 40.800 0.295 0.000 0.911 598 D HN 0.219 nan 8.370 nan 0.000 0.528 599 W N 2.372 123.699 121.300 0.045 0.000 2.606 599 W HA 0.210 4.848 4.660 -0.036 0.000 0.332 599 W C -1.881 174.664 176.519 0.044 0.000 1.052 599 W CA -1.971 55.399 57.345 0.042 0.000 1.223 599 W CB 2.033 31.517 29.460 0.040 0.000 1.383 599 W HN -0.195 nan 8.180 nan 0.000 0.524 600 P HA 0.076 nan 4.420 nan 0.000 0.231 600 P C 0.034 176.852 177.300 -0.804 0.000 1.168 600 P CA 0.868 63.005 63.100 -1.605 0.000 0.779 600 P CB 1.430 32.507 31.700 -1.038 0.000 0.844 601 I N 0.485 120.774 120.570 -0.468 0.000 2.569 601 I HA 0.294 4.444 4.170 -0.034 0.000 0.290 601 I C -0.366 175.607 176.117 -0.239 0.000 1.088 601 I CA -1.869 59.156 61.300 -0.457 0.000 1.047 601 I CB 2.254 39.734 38.000 -0.866 0.000 1.237 601 I HN -0.252 nan 8.210 nan 0.000 0.421 602 M N 7.792 127.307 119.600 -0.142 0.000 2.235 602 M HA 0.627 5.087 4.480 -0.034 0.000 0.351 602 M C -2.629 173.631 176.300 -0.066 0.000 1.178 602 M CA -1.278 53.997 55.300 -0.042 0.000 1.143 602 M CB 0.465 33.099 32.600 0.057 0.000 1.530 602 M HN 0.203 nan 8.290 nan 0.000 0.461 603 P HA 0.172 nan 4.420 nan 0.000 0.274 603 P C -0.650 176.629 177.300 -0.036 0.000 1.231 603 P CA -0.523 62.552 63.100 -0.042 0.000 0.790 603 P CB 0.772 32.456 31.700 -0.025 0.000 0.951 604 V N 2.875 122.771 119.914 -0.030 0.000 2.694 604 V HA 0.008 4.108 4.120 -0.034 0.000 0.306 604 V C 0.540 176.607 176.094 -0.045 0.000 1.054 604 V CA 1.081 63.368 62.300 -0.022 0.000 1.161 604 V CB 0.228 32.054 31.823 0.004 0.000 0.916 604 V HN 0.601 nan 8.190 nan 0.000 0.490 605 D N 2.098 122.459 120.400 -0.066 0.000 2.490 605 D HA 0.711 5.330 4.640 -0.034 0.000 0.232 605 D C -0.334 175.921 176.300 -0.076 0.000 1.053 605 D CA -0.179 53.774 54.000 -0.078 0.000 0.914 605 D CB 2.374 43.099 40.800 -0.124 0.000 1.431 605 D HN 0.728 nan 8.370 nan 0.000 0.483 606 T N -1.476 113.043 114.554 -0.060 0.000 2.901 606 T HA 0.777 5.106 4.350 -0.034 0.000 0.293 606 T C -0.981 173.722 174.700 0.005 0.000 1.084 606 T CA -0.799 61.260 62.100 -0.068 0.000 1.008 606 T CB 1.498 70.312 68.868 -0.090 0.000 1.170 606 T HN 0.281 nan 8.240 nan 0.000 0.509 607 V N -0.397 119.511 119.914 -0.010 0.000 3.225 607 V HA 0.860 4.959 4.120 -0.034 0.000 0.293 607 V C -0.225 175.838 176.094 -0.053 0.000 1.405 607 V CA 0.559 62.934 62.300 0.126 0.000 1.038 607 V CB 1.678 33.626 31.823 0.208 0.000 1.123 607 V HN 1.727 nan 8.190 nan 0.000 0.447 608 G N 2.709 111.313 108.800 -0.326 0.000 2.393 608 G HA2 0.701 4.641 3.960 -0.034 0.000 0.264 608 G HA3 0.701 4.641 3.960 -0.034 0.000 0.264 608 G C -1.446 172.864 174.900 -0.983 0.000 1.221 608 G CA 0.246 44.949 45.100 -0.662 0.000 0.912 608 G HN 1.971 nan 8.290 nan 0.000 0.483 609 F N -1.034 118.517 119.950 -0.666 0.000 2.858 609 F HA 0.852 5.358 4.527 -0.035 0.000 0.319 609 F C -1.083 174.676 175.800 -0.068 0.000 1.166 609 F CA -0.927 56.866 58.000 -0.345 0.000 0.899 609 F CB 1.444 40.271 39.000 -0.288 0.000 1.332 609 F HN 0.843 nan 8.300 nan 0.000 0.461 610 K N 0.861 121.397 120.400 0.228 0.000 2.555 610 K HA 0.841 5.140 4.320 -0.034 0.000 0.279 610 K C -2.472 174.356 176.600 0.380 0.000 0.986 610 K CA -1.050 55.355 56.287 0.197 0.000 0.880 610 K CB 2.647 35.225 32.500 0.130 0.000 1.474 610 K HN 0.743 nan 8.250 nan 0.000 0.433 611 L N 1.432 122.880 121.223 0.374 0.000 2.385 611 L HA 0.569 4.888 4.340 -0.034 0.000 0.273 611 L C -0.672 176.465 176.870 0.444 0.000 0.990 611 L CA -0.548 54.554 54.840 0.437 0.000 0.821 611 L CB 2.112 44.448 42.059 0.462 0.000 1.279 611 L HN 0.588 nan 8.230 nan 0.000 0.412 612 R N 3.139 123.827 120.500 0.313 0.000 2.711 612 R HA 0.576 4.896 4.340 -0.034 0.000 0.284 612 R C -2.581 173.492 176.300 -0.378 0.000 0.968 612 R CA -1.910 54.239 56.100 0.082 0.000 0.924 612 R CB 1.575 31.936 30.300 0.102 0.000 1.162 612 R HN 0.307 nan 8.270 nan 0.000 0.465 613 P HA -0.022 nan 4.420 nan 0.000 0.268 613 P C -0.812 176.284 177.300 -0.341 0.000 1.205 613 P CA 0.116 62.604 63.100 -1.021 0.000 0.771 613 P CB 0.863 32.296 31.700 -0.446 0.000 0.858 614 E N 1.936 121.998 120.200 -0.230 0.000 2.675 614 E HA 0.439 4.768 4.350 -0.034 0.000 0.236 614 E C 0.708 177.309 176.600 0.002 0.000 1.059 614 E CA -0.388 55.979 56.400 -0.056 0.000 0.775 614 E CB -0.542 29.144 29.700 -0.024 0.000 1.356 614 E HN 0.678 nan 8.360 nan 0.000 0.403 615 G N 3.429 112.241 108.800 0.020 0.000 2.153 615 G HA2 -0.369 3.570 3.960 -0.034 0.000 0.252 615 G HA3 -0.369 3.570 3.960 -0.034 0.000 0.252 615 G C 0.554 175.458 174.900 0.007 0.000 0.994 615 G CA 0.438 45.550 45.100 0.021 0.000 0.698 615 G HN 0.542 nan 8.290 nan 0.000 0.521 616 F N 0.144 119.981 119.950 -0.189 0.000 2.163 616 F HA 0.445 4.952 4.527 -0.034 0.000 0.297 616 F C 1.336 176.856 175.800 -0.468 0.000 1.094 616 F CA 0.676 58.462 58.000 -0.357 0.000 1.290 616 F CB 0.014 38.690 39.000 -0.540 0.000 1.017 616 F HN 0.124 nan 8.300 nan 0.000 0.483 617 F N 0.300 120.260 119.950 0.017 0.000 2.411 617 F HA 0.233 4.739 4.527 -0.034 0.000 0.324 617 F C 1.356 177.114 175.800 -0.070 0.000 1.086 617 F CA -0.799 57.161 58.000 -0.067 0.000 1.028 617 F CB 0.315 39.293 39.000 -0.037 0.000 1.284 617 F HN -0.284 nan 8.300 nan 0.000 0.501 618 D N 0.070 120.554 120.400 0.141 0.000 2.340 618 D HA 0.078 4.698 4.640 -0.034 0.000 0.220 618 D C 0.268 176.601 176.300 0.055 0.000 1.039 618 D CA 0.552 54.586 54.000 0.056 0.000 0.866 618 D CB 0.245 41.061 40.800 0.027 0.000 0.913 618 D HN 0.520 nan 8.370 nan 0.000 0.523 619 R N -2.231 118.317 120.500 0.080 0.000 2.979 619 R HA 0.193 4.512 4.340 -0.034 0.000 0.286 619 R C -0.787 175.515 176.300 0.004 0.000 0.972 619 R CA -0.751 55.368 56.100 0.031 0.000 0.828 619 R CB 0.301 30.606 30.300 0.007 0.000 1.368 619 R HN -0.174 nan 8.270 nan 0.000 0.511 620 S N 1.019 116.699 115.700 -0.034 0.000 2.563 620 S HA 0.089 4.538 4.470 -0.034 0.000 0.294 620 S C -1.261 173.240 174.600 -0.165 0.000 1.279 620 S CA -0.700 57.448 58.200 -0.086 0.000 1.069 620 S CB 0.461 63.630 63.200 -0.053 0.000 0.828 620 S HN 0.515 nan 8.310 nan 0.000 0.497 621 P HA 0.111 nan 4.420 nan 0.000 0.255 621 P C 0.476 177.662 177.300 -0.190 0.000 1.248 621 P CA 0.219 63.042 63.100 -0.462 0.000 0.807 621 P CB -0.168 30.770 31.700 -1.270 0.000 1.150 622 V N -3.967 115.885 119.914 -0.103 0.000 3.006 622 V HA 0.254 4.353 4.120 -0.034 0.000 0.357 622 V C 1.482 177.595 176.094 0.032 0.000 1.377 622 V CA -0.117 62.175 62.300 -0.013 0.000 1.198 622 V CB -0.737 31.102 31.823 0.027 0.000 1.216 622 V HN -0.130 nan 8.190 nan 0.000 0.520 623 L N 1.130 122.364 121.223 0.017 0.000 2.395 623 L HA 0.051 4.370 4.340 -0.034 0.000 0.218 623 L C 2.061 178.970 176.870 0.064 0.000 1.130 623 L CA 1.383 56.256 54.840 0.054 0.000 0.826 623 L CB -0.216 41.853 42.059 0.016 0.000 0.941 623 L HN 0.568 nan 8.230 nan 0.000 0.451 624 D N -0.592 119.827 120.400 0.031 0.000 2.328 624 D HA -0.004 4.616 4.640 -0.034 0.000 0.221 624 D C 0.570 176.877 176.300 0.013 0.000 1.072 624 D CA 0.013 54.026 54.000 0.021 0.000 0.850 624 D CB -0.152 40.649 40.800 0.001 0.000 0.922 624 D HN -0.007 nan 8.370 nan 0.000 0.516 625 V N 3.261 123.189 119.914 0.024 0.000 2.508 625 V HA 0.196 4.295 4.120 -0.034 0.000 0.281 625 V C -1.577 174.518 176.094 0.001 0.000 1.041 625 V CA -1.112 61.192 62.300 0.006 0.000 1.016 625 V CB 1.024 32.857 31.823 0.018 0.000 0.984 625 V HN 0.171 nan 8.190 nan 0.000 0.478 626 P HA 0.216 nan 4.420 nan 0.000 0.274 626 P C 0.337 177.604 177.300 -0.055 0.000 1.246 626 P CA -0.354 62.732 63.100 -0.024 0.000 0.795 626 P CB 1.321 33.011 31.700 -0.018 0.000 1.006 627 A N 0.873 123.651 122.820 -0.069 0.000 2.066 627 A HA -0.061 4.239 4.320 -0.034 0.000 0.218 627 A C 0.848 178.394 177.584 -0.064 0.000 1.157 627 A CA 0.630 52.606 52.037 -0.102 0.000 0.670 627 A CB -0.994 17.947 19.000 -0.097 0.000 0.804 627 A HN 0.700 nan 8.150 nan 0.000 0.453 628 N N 0.000 118.678 118.700 -0.037 0.000 1.763 628 N HA 0.000 4.719 4.740 -0.034 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667