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 1wmn_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 0.000 177.595 177.584 0.018 0.000 1.274 9 A CA 0.000 52.051 52.037 0.023 0.000 0.836 9 A CB 0.000 19.025 19.000 0.041 0.000 0.831 10 S N 0.254 115.977 115.700 0.039 0.000 2.655 10 S HA 0.575 5.023 4.470 -0.038 0.000 0.265 10 S C -1.824 172.773 174.600 -0.004 0.000 1.240 10 S CA -0.403 57.829 58.200 0.054 0.000 0.986 10 S CB 0.866 64.156 63.200 0.151 0.000 0.985 10 S HN 0.590 nan 8.310 nan 0.000 0.562 11 P HA 0.113 nan 4.420 nan 0.000 0.247 11 P C 0.002 176.973 177.300 -0.548 0.000 1.225 11 P CA 0.565 63.485 63.100 -0.301 0.000 0.768 11 P CB -0.283 31.190 31.700 -0.379 0.000 1.020 12 F N 0.485 120.367 119.950 -0.114 0.000 2.678 12 F HA 0.201 4.705 4.527 -0.038 0.000 0.305 12 F C 1.570 177.301 175.800 -0.115 0.000 1.090 12 F CA -0.647 57.240 58.000 -0.188 0.000 1.272 12 F CB -0.075 38.816 39.000 -0.181 0.000 1.060 12 F HN -0.155 nan 8.300 nan 0.000 0.576 13 R N 0.828 121.354 120.500 0.042 0.000 2.784 13 R HA 0.243 4.560 4.340 -0.038 0.000 0.266 13 R C -0.197 176.120 176.300 0.027 0.000 1.044 13 R CA -0.433 55.700 56.100 0.055 0.000 1.151 13 R CB 0.342 30.667 30.300 0.042 0.000 1.037 13 R HN 0.121 nan 8.270 nan 0.000 0.478 14 L N 1.601 122.856 121.223 0.054 0.000 2.461 14 L HA 0.149 4.467 4.340 -0.038 0.000 0.272 14 L C 0.764 177.667 176.870 0.054 0.000 1.197 14 L CA -0.272 54.600 54.840 0.054 0.000 0.836 14 L CB 0.611 42.705 42.059 0.058 0.000 1.105 14 L HN 0.851 nan 8.230 nan 0.000 0.477 15 A N 2.916 125.778 122.820 0.071 0.000 2.540 15 A HA 0.215 4.512 4.320 -0.038 0.000 0.239 15 A C 0.309 177.963 177.584 0.116 0.000 1.061 15 A CA 0.103 52.234 52.037 0.156 0.000 0.758 15 A CB 0.370 19.524 19.000 0.257 0.000 0.991 15 A HN 0.654 nan 8.150 nan 0.000 0.502 16 S N 0.866 116.633 115.700 0.113 0.000 2.646 16 S HA 0.511 4.958 4.470 -0.038 0.000 0.276 16 S C 1.426 176.042 174.600 0.026 0.000 1.222 16 S CA -0.055 58.177 58.200 0.053 0.000 1.014 16 S CB 1.162 64.386 63.200 0.040 0.000 0.991 16 S HN 1.375 nan 8.310 nan 0.000 0.533 17 A N 3.422 126.245 122.820 0.005 0.000 1.940 17 A HA 0.036 4.333 4.320 -0.038 0.000 0.219 17 A C 2.090 179.653 177.584 -0.036 0.000 1.176 17 A CA 2.080 54.109 52.037 -0.014 0.000 0.631 17 A CB -1.531 17.462 19.000 -0.012 0.000 0.814 17 A HN 1.012 nan 8.150 nan 0.000 0.446 18 G N -0.507 108.275 108.800 -0.029 0.000 2.422 18 G HA2 -0.217 3.720 3.960 -0.038 0.000 0.218 18 G HA3 -0.217 3.720 3.960 -0.038 0.000 0.218 18 G C 1.416 176.266 174.900 -0.084 0.000 1.146 18 G CA 0.998 46.071 45.100 -0.044 0.000 0.769 18 G HN 0.680 nan 8.290 nan 0.000 0.547 19 E N -0.096 120.050 120.200 -0.090 0.000 2.152 19 E HA -0.038 4.289 4.350 -0.038 0.000 0.192 19 E C 2.490 178.840 176.600 -0.417 0.000 0.983 19 E CA 0.308 56.581 56.400 -0.213 0.000 0.818 19 E CB -0.013 29.643 29.700 -0.073 0.000 0.758 19 E HN 0.325 nan 8.360 nan 0.000 0.467 20 I N 1.054 121.461 120.570 -0.272 0.000 2.202 20 I HA -0.199 3.948 4.170 -0.038 0.000 0.242 20 I C 2.293 178.289 176.117 -0.202 0.000 1.091 20 I CA 1.132 62.276 61.300 -0.261 0.000 1.368 20 I CB -1.172 36.761 38.000 -0.111 0.000 1.058 20 I HN -0.012 nan 8.210 nan 0.000 0.410 21 S N 0.559 116.179 115.700 -0.134 0.000 2.359 21 S HA -0.240 4.207 4.470 -0.038 0.000 0.224 21 S C 1.923 176.456 174.600 -0.113 0.000 1.035 21 S CA 1.637 59.781 58.200 -0.094 0.000 1.018 21 S CB -0.279 62.882 63.200 -0.064 0.000 0.876 21 S HN 0.423 nan 8.310 nan 0.000 0.448 22 E N 1.066 121.180 120.200 -0.143 0.000 2.153 22 E HA -0.103 4.225 4.350 -0.038 0.000 0.194 22 E C 1.764 178.265 176.600 -0.166 0.000 0.988 22 E CA 0.887 57.204 56.400 -0.138 0.000 0.811 22 E CB -0.214 29.402 29.700 -0.140 0.000 0.746 22 E HN 0.283 nan 8.360 nan 0.000 0.466 23 V N 0.552 120.314 119.914 -0.254 0.000 2.379 23 V HA -0.223 3.875 4.120 -0.038 0.000 0.245 23 V C 2.514 178.531 176.094 -0.128 0.000 1.044 23 V CA 2.016 64.172 62.300 -0.240 0.000 1.036 23 V CB -0.564 31.033 31.823 -0.377 0.000 0.664 23 V HN 0.390 nan 8.190 nan 0.000 0.453 24 Q N 0.240 119.974 119.800 -0.111 0.000 2.030 24 Q HA -0.186 4.131 4.340 -0.038 0.000 0.204 24 Q C 2.257 178.235 176.000 -0.038 0.000 0.986 24 Q CA 2.230 58.001 55.803 -0.054 0.000 0.843 24 Q CB -0.535 28.180 28.738 -0.038 0.000 0.904 24 Q HN 0.636 nan 8.270 nan 0.000 0.420 25 G N 1.219 109.990 108.800 -0.048 0.000 2.480 25 G HA2 -0.277 3.661 3.960 -0.038 0.000 0.216 25 G HA3 -0.277 3.661 3.960 -0.038 0.000 0.216 25 G C 1.423 176.305 174.900 -0.030 0.000 1.200 25 G CA 1.168 46.247 45.100 -0.035 0.000 0.782 25 G HN 0.407 nan 8.290 nan 0.000 0.554 26 I N 0.487 121.033 120.570 -0.040 0.000 2.194 26 I HA -0.214 3.933 4.170 -0.038 0.000 0.246 26 I C 2.771 178.879 176.117 -0.015 0.000 1.093 26 I CA 0.823 62.106 61.300 -0.028 0.000 1.355 26 I CB -0.263 37.715 38.000 -0.037 0.000 1.046 26 I HN 0.156 nan 8.210 nan 0.000 0.413 27 L N 0.502 121.716 121.223 -0.015 0.000 2.005 27 L HA -0.189 4.128 4.340 -0.038 0.000 0.207 27 L C 2.906 179.780 176.870 0.006 0.000 1.072 27 L CA 1.585 56.426 54.840 0.001 0.000 0.744 27 L CB -0.710 41.352 42.059 0.005 0.000 0.895 27 L HN 0.303 nan 8.230 nan 0.000 0.433 28 R N -0.555 119.947 120.500 0.005 0.000 2.083 28 R HA -0.148 4.169 4.340 -0.038 0.000 0.237 28 R C 2.043 178.345 176.300 0.003 0.000 1.137 28 R CA 1.943 58.048 56.100 0.008 0.000 0.951 28 R CB -1.435 28.869 30.300 0.007 0.000 0.851 28 R HN 0.115 nan 8.270 nan 0.000 0.434 29 T N 1.019 115.571 114.554 -0.003 0.000 2.759 29 T HA -0.089 4.238 4.350 -0.038 0.000 0.269 29 T C 1.783 176.483 174.700 -0.001 0.000 1.042 29 T CA 1.671 63.769 62.100 -0.004 0.000 1.140 29 T CB -0.248 68.615 68.868 -0.008 0.000 0.864 29 T HN 0.549 nan 8.240 nan 0.000 0.455 30 A N 0.157 122.977 122.820 0.002 0.000 2.259 30 A HA 0.507 4.804 4.320 -0.038 0.000 0.208 30 A C 1.812 179.400 177.584 0.006 0.000 1.201 30 A CA 0.748 52.787 52.037 0.004 0.000 0.824 30 A CB -0.834 18.171 19.000 0.008 0.000 0.838 30 A HN 0.713 nan 8.150 nan 0.000 0.485 31 G N -1.066 107.737 108.800 0.006 0.000 2.160 31 G HA2 -0.264 3.673 3.960 -0.038 0.000 0.251 31 G HA3 -0.264 3.673 3.960 -0.038 0.000 0.251 31 G C 0.606 175.512 174.900 0.010 0.000 1.008 31 G CA 0.588 45.691 45.100 0.006 0.000 0.724 31 G HN 0.519 nan 8.290 nan 0.000 0.514 32 L N -1.406 119.825 121.223 0.014 0.000 2.567 32 L HA 0.398 4.715 4.340 -0.038 0.000 0.225 32 L C 1.268 178.153 176.870 0.026 0.000 1.119 32 L CA 0.165 55.017 54.840 0.020 0.000 0.871 32 L CB 0.350 42.425 42.059 0.026 0.000 1.036 32 L HN 0.204 nan 8.230 nan 0.000 0.459 33 L N 0.661 121.900 121.223 0.028 0.000 2.892 33 L HA 0.470 4.787 4.340 -0.038 0.000 0.251 33 L C 0.722 177.622 176.870 0.051 0.000 1.339 33 L CA -0.204 54.663 54.840 0.044 0.000 0.900 33 L CB 0.275 42.362 42.059 0.048 0.000 1.246 33 L HN -0.069 nan 8.230 nan 0.000 0.524 34 G N 0.561 109.384 108.800 0.038 0.000 2.611 34 G HA2 0.280 4.217 3.960 -0.038 0.000 0.273 34 G HA3 0.280 4.217 3.960 -0.038 0.000 0.273 34 G C -1.469 173.467 174.900 0.060 0.000 1.305 34 G CA -0.442 44.679 45.100 0.034 0.000 1.010 34 G HN 0.382 nan 8.290 nan 0.000 0.509 35 P HA -0.061 nan 4.420 nan 0.000 0.222 35 P C 0.752 178.107 177.300 0.091 0.000 1.147 35 P CA 1.060 64.196 63.100 0.060 0.000 0.790 35 P CB 0.377 32.089 31.700 0.019 0.000 0.780 36 E N -0.594 119.636 120.200 0.050 0.000 2.474 36 E HA 0.091 4.419 4.350 -0.038 0.000 0.195 36 E C 0.432 177.029 176.600 -0.005 0.000 1.039 36 E CA 0.276 56.689 56.400 0.021 0.000 0.881 36 E CB 0.166 29.854 29.700 -0.021 0.000 0.970 36 E HN 0.302 nan 8.360 nan 0.000 0.486 37 K N 1.638 122.058 120.400 0.032 0.000 2.143 37 K HA 0.367 4.665 4.320 -0.038 0.000 0.272 37 K C 0.323 176.934 176.600 0.020 0.000 1.001 37 K CA -0.482 55.811 56.287 0.010 0.000 0.915 37 K CB 1.544 34.059 32.500 0.026 0.000 1.047 37 K HN -0.161 nan 8.250 nan 0.000 0.458 38 R N 2.082 122.573 120.500 -0.014 0.000 2.621 38 R HA 0.437 4.754 4.340 -0.038 0.000 0.284 38 R C -0.063 176.215 176.300 -0.036 0.000 0.998 38 R CA -0.742 55.290 56.100 -0.114 0.000 0.895 38 R CB 1.252 31.502 30.300 -0.084 0.000 1.195 38 R HN 0.587 nan 8.270 nan 0.000 0.450 39 I N 2.493 123.005 120.570 -0.097 0.000 2.363 39 I HA 0.049 4.196 4.170 -0.038 0.000 0.292 39 I C 1.372 177.485 176.117 -0.007 0.000 1.075 39 I CA 0.123 61.410 61.300 -0.022 0.000 1.333 39 I CB 1.328 39.296 38.000 -0.055 0.000 1.415 39 I HN 0.722 nan 8.210 nan 0.000 0.502 40 A N 6.861 129.741 122.820 0.101 0.000 2.072 40 A HA -0.008 4.289 4.320 -0.038 0.000 0.216 40 A C 0.368 178.066 177.584 0.191 0.000 1.156 40 A CA 0.920 53.032 52.037 0.126 0.000 0.701 40 A CB 0.144 19.256 19.000 0.185 0.000 0.816 40 A HN 0.698 nan 8.150 nan 0.000 0.458 41 Y N -2.214 118.102 120.300 0.027 0.000 2.521 41 Y HA 0.550 5.077 4.550 -0.038 0.000 0.328 41 Y C -1.820 173.981 175.900 -0.166 0.000 1.151 41 Y CA -1.157 56.871 58.100 -0.120 0.000 1.054 41 Y CB 1.124 39.407 38.460 -0.296 0.000 1.338 41 Y HN 0.187 nan 8.280 nan 0.000 0.453 42 L N 4.885 125.431 121.223 -1.129 0.000 2.565 42 L HA 0.950 5.268 4.340 -0.038 0.000 0.261 42 L C -1.398 174.940 176.870 -0.886 0.000 0.932 42 L CA -0.170 54.220 54.840 -0.750 0.000 0.878 42 L CB 2.187 44.083 42.059 -0.272 0.000 1.333 42 L HN 0.982 nan 8.230 nan 0.000 0.409 43 G N 2.842 111.325 108.800 -0.530 0.000 2.732 43 G HA2 0.443 4.380 3.960 -0.038 0.000 0.296 43 G HA3 0.443 4.380 3.960 -0.038 0.000 0.296 43 G C -1.771 172.956 174.900 -0.289 0.000 1.448 43 G CA -0.508 44.408 45.100 -0.306 0.000 0.911 43 G HN 0.538 nan 8.290 nan 0.000 0.528 44 V N 1.358 120.914 119.914 -0.596 0.000 2.843 44 V HA 0.421 4.518 4.120 -0.038 0.000 0.305 44 V C -0.029 175.791 176.094 -0.457 0.000 1.065 44 V CA -0.198 61.482 62.300 -1.034 0.000 1.116 44 V CB 0.941 32.117 31.823 -1.079 0.000 0.968 44 V HN 0.576 nan 8.190 nan 0.000 0.487 45 L N 5.144 126.131 121.223 -0.392 0.000 2.357 45 L HA 0.490 4.807 4.340 -0.038 0.000 0.273 45 L C 0.153 176.883 176.870 -0.233 0.000 1.080 45 L CA -0.060 54.655 54.840 -0.210 0.000 0.803 45 L CB 1.117 43.095 42.059 -0.135 0.000 1.174 45 L HN 0.624 nan 8.230 nan 0.000 0.443 46 D N 2.670 122.973 120.400 -0.162 0.000 2.339 46 D HA 0.252 4.869 4.640 -0.038 0.000 0.245 46 D C -2.056 174.119 176.300 -0.208 0.000 1.115 46 D CA -0.987 52.892 54.000 -0.201 0.000 0.917 46 D CB 0.418 41.203 40.800 -0.024 0.000 1.192 46 D HN 0.292 nan 8.370 nan 0.000 0.428 47 P HA 0.137 nan 4.420 nan 0.000 0.266 47 P C -0.652 176.592 177.300 -0.093 0.000 1.195 47 P CA -0.036 62.919 63.100 -0.241 0.000 0.768 47 P CB 0.521 32.008 31.700 -0.355 0.000 0.838 48 A N 3.682 126.465 122.820 -0.063 0.000 2.327 48 A HA 0.264 4.561 4.320 -0.038 0.000 0.255 48 A C 0.397 177.962 177.584 -0.032 0.000 1.099 48 A CA -0.348 51.676 52.037 -0.021 0.000 0.801 48 A CB 0.171 19.160 19.000 -0.018 0.000 1.062 48 A HN 0.399 nan 8.150 nan 0.000 0.496 49 R N -0.126 120.343 120.500 -0.050 0.000 2.538 49 R HA 0.395 4.713 4.340 -0.038 0.000 0.282 49 R C 0.602 176.861 176.300 -0.068 0.000 1.009 49 R CA 1.134 57.158 56.100 -0.125 0.000 1.063 49 R CB -0.619 29.566 30.300 -0.191 0.000 0.945 49 R HN 1.262 nan 8.270 nan 0.000 0.414 50 G N -0.682 108.090 108.800 -0.046 0.000 2.336 50 G HA2 0.445 4.382 3.960 -0.038 0.000 0.286 50 G HA3 0.445 4.382 3.960 -0.038 0.000 0.286 50 G C -1.022 173.899 174.900 0.035 0.000 1.269 50 G CA 0.117 45.213 45.100 -0.006 0.000 0.873 50 G HN 0.583 nan 8.290 nan 0.000 0.494 51 A N -1.997 120.844 122.820 0.035 0.000 1.655 51 A HA 0.627 4.925 4.320 -0.038 0.000 0.180 51 A C 1.712 179.317 177.584 0.035 0.000 1.582 51 A CA 1.475 53.542 52.037 0.049 0.000 1.292 51 A CB -0.435 18.596 19.000 0.051 0.000 1.144 51 A HN 2.189 nan 8.150 nan 0.000 0.609 52 G N 1.183 109.997 108.800 0.024 0.000 3.452 52 G HA2 0.407 4.344 3.960 -0.038 0.000 0.258 52 G HA3 0.407 4.344 3.960 -0.038 0.000 0.258 52 G C -0.099 174.807 174.900 0.011 0.000 1.305 52 G CA 0.701 45.811 45.100 0.017 0.000 1.514 52 G HN 0.305 nan 8.290 nan 0.000 0.593 53 S N 0.459 116.165 115.700 0.010 0.000 2.790 53 S HA 0.228 4.675 4.470 -0.038 0.000 0.202 53 S C 0.672 175.270 174.600 -0.003 0.000 1.383 53 S CA -0.487 57.713 58.200 0.000 0.000 1.026 53 S CB 1.005 64.202 63.200 -0.005 0.000 1.253 53 S HN 0.365 nan 8.310 nan 0.000 0.489 54 E N 2.132 122.331 120.200 -0.001 0.000 2.274 54 E HA 0.066 4.393 4.350 -0.038 0.000 0.194 54 E C 0.951 177.545 176.600 -0.010 0.000 0.996 54 E CA 0.286 56.684 56.400 -0.003 0.000 0.840 54 E CB -0.040 29.660 29.700 0.000 0.000 0.772 54 E HN 0.653 nan 8.360 nan 0.000 0.491 55 A N 1.929 124.743 122.820 -0.011 0.000 2.541 55 A HA -0.003 4.294 4.320 -0.038 0.000 0.293 55 A C 0.093 177.663 177.584 -0.023 0.000 1.307 55 A CA -0.030 51.998 52.037 -0.014 0.000 0.978 55 A CB -0.520 18.474 19.000 -0.011 0.000 1.111 55 A HN 0.085 nan 8.150 nan 0.000 0.535 56 E N 1.971 122.155 120.200 -0.027 0.000 2.316 56 E HA 0.164 4.491 4.350 -0.038 0.000 0.275 56 E C -1.148 175.431 176.600 -0.034 0.000 1.029 56 E CA -0.219 56.156 56.400 -0.041 0.000 0.871 56 E CB 0.556 30.230 29.700 -0.043 0.000 1.022 56 E HN 0.541 nan 8.360 nan 0.000 0.418 57 D N 4.200 124.573 120.400 -0.045 0.000 2.408 57 D HA 0.136 4.754 4.640 -0.038 0.000 0.261 57 D C -1.031 175.249 176.300 -0.033 0.000 1.190 57 D CA -0.595 53.388 54.000 -0.027 0.000 0.910 57 D CB 0.319 41.105 40.800 -0.023 0.000 1.097 57 D HN 0.229 nan 8.370 nan 0.000 0.522 58 R N 3.170 123.667 120.500 -0.004 0.000 2.291 58 R HA 0.320 4.637 4.340 -0.038 0.000 0.333 58 R C 0.259 176.627 176.300 0.113 0.000 1.082 58 R CA -0.046 56.066 56.100 0.020 0.000 0.948 58 R CB 0.398 30.756 30.300 0.097 0.000 1.009 58 R HN 0.378 nan 8.270 nan 0.000 0.460 59 R N 2.008 122.526 120.500 0.030 0.000 2.787 59 R HA 0.540 4.857 4.340 -0.038 0.000 0.271 59 R C -0.660 175.691 176.300 0.086 0.000 0.993 59 R CA -0.621 55.548 56.100 0.115 0.000 0.993 59 R CB 1.333 31.651 30.300 0.029 0.000 1.155 59 R HN 0.221 nan 8.270 nan 0.000 0.486 60 F N 0.170 120.100 119.950 -0.032 0.000 2.565 60 F HA 0.459 4.963 4.527 -0.038 0.000 0.313 60 F C 0.127 175.917 175.800 -0.017 0.000 1.091 60 F CA -0.786 57.189 58.000 -0.042 0.000 0.915 60 F CB 1.916 40.880 39.000 -0.060 0.000 1.208 60 F HN 0.172 nan 8.300 nan 0.000 0.453 61 R N 2.140 122.720 120.500 0.134 0.000 2.460 61 R HA 0.880 5.197 4.340 -0.038 0.000 0.303 61 R C -1.874 174.478 176.300 0.086 0.000 0.968 61 R CA -0.531 55.644 56.100 0.126 0.000 0.889 61 R CB 1.575 31.949 30.300 0.124 0.000 1.123 61 R HN 0.559 nan 8.270 nan 0.000 0.455 62 V N 4.333 124.326 119.914 0.130 0.000 2.841 62 V HA 0.505 4.602 4.120 -0.038 0.000 0.310 62 V C -1.193 175.120 176.094 0.365 0.000 1.090 62 V CA -0.864 61.508 62.300 0.120 0.000 0.930 62 V CB 2.036 33.917 31.823 0.097 0.000 1.014 62 V HN 0.560 nan 8.190 nan 0.000 0.425 63 F N 3.820 123.927 119.950 0.262 0.000 2.402 63 F HA 0.646 5.150 4.527 -0.038 0.000 0.355 63 F C 0.040 175.932 175.800 0.154 0.000 1.123 63 F CA -1.720 56.429 58.000 0.250 0.000 1.021 63 F CB 1.398 40.597 39.000 0.332 0.000 1.160 63 F HN 0.218 nan 8.300 nan 0.000 0.451 64 I N 3.939 124.682 120.570 0.289 0.000 2.355 64 I HA 0.220 4.367 4.170 -0.038 0.000 0.288 64 I C -0.273 175.932 176.117 0.146 0.000 0.999 64 I CA -0.717 60.685 61.300 0.170 0.000 1.163 64 I CB 1.372 39.437 38.000 0.109 0.000 1.316 64 I HN 0.511 nan 8.210 nan 0.000 0.454 65 H N 5.986 125.072 119.070 0.027 0.000 2.482 65 H HA 0.316 4.849 4.556 -0.038 0.000 0.344 65 H C -1.057 174.263 175.328 -0.013 0.000 1.151 65 H CA -0.350 55.694 56.048 -0.008 0.000 1.300 65 H CB 1.394 31.146 29.762 -0.017 0.000 1.494 65 H HN 0.552 nan 8.280 nan 0.000 0.542 66 D N 4.419 124.395 120.400 -0.707 0.000 2.469 66 D HA 0.081 4.698 4.640 -0.038 0.000 0.251 66 D C 1.049 176.926 176.300 -0.704 0.000 1.173 66 D CA -0.472 53.224 54.000 -0.506 0.000 0.882 66 D CB 1.329 41.978 40.800 -0.250 0.000 1.129 66 D HN 0.518 nan 8.370 nan 0.000 0.549 67 V N 1.836 121.486 119.914 -0.441 0.000 3.026 67 V HA -0.123 3.975 4.120 -0.038 0.000 0.265 67 V C 1.625 177.653 176.094 -0.109 0.000 1.121 67 V CA 1.214 63.395 62.300 -0.199 0.000 1.142 67 V CB -0.511 31.298 31.823 -0.023 0.000 0.730 67 V HN 0.337 nan 8.190 nan 0.000 0.503 68 S N 0.643 116.270 115.700 -0.122 0.000 2.377 68 S HA 0.366 4.814 4.470 -0.038 0.000 0.223 68 S C 1.710 176.270 174.600 -0.067 0.000 1.030 68 S CA 1.313 59.471 58.200 -0.069 0.000 0.970 68 S CB 0.212 63.377 63.200 -0.059 0.000 0.830 68 S HN 1.233 nan 8.310 nan 0.000 0.473 69 G N 0.357 109.097 108.800 -0.100 0.000 2.559 69 G HA2 0.109 4.047 3.960 -0.038 0.000 0.202 69 G HA3 0.109 4.047 3.960 -0.038 0.000 0.202 69 G C 0.093 174.950 174.900 -0.073 0.000 0.992 69 G CA -0.221 44.838 45.100 -0.068 0.000 0.764 69 G HN 0.713 nan 8.290 nan 0.000 0.525 70 A N 0.909 123.676 122.820 -0.089 0.000 2.425 70 A HA 0.634 4.931 4.320 -0.038 0.000 0.242 70 A C 0.890 178.425 177.584 -0.081 0.000 1.077 70 A CA -0.019 51.973 52.037 -0.075 0.000 0.781 70 A CB 0.209 19.167 19.000 -0.070 0.000 1.020 70 A HN 0.424 nan 8.150 nan 0.000 0.494 71 R N 1.628 122.088 120.500 -0.067 0.000 2.585 71 R HA 0.145 4.462 4.340 -0.038 0.000 0.275 71 R C -2.161 174.096 176.300 -0.072 0.000 1.018 71 R CA -0.797 55.259 56.100 -0.072 0.000 1.072 71 R CB -0.102 30.156 30.300 -0.070 0.000 0.953 71 R HN 0.605 nan 8.270 nan 0.000 0.419 72 P HA 0.072 nan 4.420 nan 0.000 0.275 72 P C -0.924 176.338 177.300 -0.064 0.000 1.266 72 P CA -0.269 62.797 63.100 -0.056 0.000 0.793 72 P CB 0.903 32.567 31.700 -0.061 0.000 1.074 73 Q N -0.807 118.987 119.800 -0.010 0.000 2.389 73 Q HA 0.354 4.671 4.340 -0.038 0.000 0.277 73 Q C -0.909 175.161 176.000 0.116 0.000 1.082 73 Q CA -0.659 55.157 55.803 0.023 0.000 0.810 73 Q CB 2.594 31.356 28.738 0.041 0.000 1.374 73 Q HN 0.444 nan 8.270 nan 0.000 0.422 74 E N 1.831 122.117 120.200 0.144 0.000 2.113 74 E HA 0.455 4.782 4.350 -0.038 0.000 0.273 74 E C -1.495 175.245 176.600 0.234 0.000 0.924 74 E CA -0.496 56.092 56.400 0.314 0.000 0.764 74 E CB 1.209 31.114 29.700 0.342 0.000 1.104 74 E HN 0.290 nan 8.360 nan 0.000 0.406 75 V N 3.651 123.711 119.914 0.244 0.000 2.604 75 V HA 0.388 4.485 4.120 -0.038 0.000 0.305 75 V C -0.250 175.936 176.094 0.153 0.000 1.043 75 V CA -0.760 61.635 62.300 0.160 0.000 0.888 75 V CB 2.142 34.036 31.823 0.120 0.000 0.995 75 V HN 0.706 nan 8.190 nan 0.000 0.429 76 T N 4.176 118.801 114.554 0.119 0.000 2.786 76 T HA 0.619 4.947 4.350 -0.038 0.000 0.283 76 T C -0.344 174.409 174.700 0.087 0.000 0.992 76 T CA -0.390 61.775 62.100 0.108 0.000 0.954 76 T CB 1.448 70.370 68.868 0.090 0.000 0.934 76 T HN 0.771 nan 8.240 nan 0.000 0.440 77 V N 0.930 120.904 119.914 0.100 0.000 2.919 77 V HA 0.916 5.013 4.120 -0.038 0.000 0.316 77 V C -0.138 176.013 176.094 0.095 0.000 1.077 77 V CA -0.903 61.441 62.300 0.074 0.000 0.977 77 V CB 2.139 33.985 31.823 0.039 0.000 1.039 77 V HN 0.750 nan 8.190 nan 0.000 0.441 78 S N 2.135 117.871 115.700 0.061 0.000 2.520 78 S HA 0.433 4.880 4.470 -0.038 0.000 0.324 78 S C 0.516 175.143 174.600 0.044 0.000 1.069 78 S CA -0.305 57.934 58.200 0.065 0.000 1.121 78 S CB 1.053 64.275 63.200 0.037 0.000 0.971 78 S HN 0.825 nan 8.310 nan 0.000 0.463 79 V N 5.079 125.035 119.914 0.070 0.000 2.548 79 V HA -0.086 4.012 4.120 -0.038 0.000 0.249 79 V C 2.494 178.594 176.094 0.009 0.000 1.055 79 V CA 2.261 64.562 62.300 0.001 0.000 1.065 79 V CB -0.916 30.889 31.823 -0.029 0.000 0.681 79 V HN 0.887 nan 8.190 nan 0.000 0.462 80 T N 0.564 115.138 114.554 0.032 0.000 2.821 80 T HA -0.094 4.234 4.350 -0.038 0.000 0.267 80 T C 1.212 175.915 174.700 0.006 0.000 1.046 80 T CA 1.335 63.444 62.100 0.016 0.000 1.139 80 T CB -0.209 68.668 68.868 0.015 0.000 0.871 80 T HN 0.455 nan 8.240 nan 0.000 0.454 81 N N 0.504 119.208 118.700 0.007 0.000 2.401 81 N HA 0.240 4.957 4.740 -0.038 0.000 0.264 81 N C 0.901 176.411 175.510 -0.001 0.000 1.238 81 N CA 0.045 53.096 53.050 0.002 0.000 0.889 81 N CB 0.562 39.052 38.487 0.004 0.000 1.196 81 N HN 0.388 nan 8.380 nan 0.000 0.511 82 G N 1.947 110.743 108.800 -0.007 0.000 2.447 82 G HA2 -0.307 3.630 3.960 -0.038 0.000 0.293 82 G HA3 -0.307 3.630 3.960 -0.038 0.000 0.293 82 G C 0.321 175.216 174.900 -0.008 0.000 0.894 82 G CA 1.450 46.541 45.100 -0.014 0.000 1.066 82 G HN 0.456 nan 8.290 nan 0.000 0.503 83 T N -4.024 110.530 114.554 0.000 0.000 2.916 83 T HA 0.646 4.974 4.350 -0.038 0.000 0.292 83 T C -0.383 174.324 174.700 0.013 0.000 1.064 83 T CA -0.906 61.197 62.100 0.006 0.000 1.011 83 T CB 2.698 71.571 68.868 0.008 0.000 1.152 83 T HN 0.468 nan 8.240 nan 0.000 0.510 84 V N 2.582 122.505 119.914 0.015 0.000 2.304 84 V HA 0.277 4.374 4.120 -0.038 0.000 0.269 84 V C 1.187 177.297 176.094 0.027 0.000 1.036 84 V CA -0.477 61.838 62.300 0.024 0.000 0.840 84 V CB 0.025 31.861 31.823 0.022 0.000 1.036 84 V HN 0.868 nan 8.190 nan 0.000 0.466 85 I N 3.087 123.678 120.570 0.034 0.000 2.353 85 I HA -0.027 4.120 4.170 -0.038 0.000 0.248 85 I C 1.022 177.160 176.117 0.034 0.000 1.119 85 I CA 1.064 62.383 61.300 0.032 0.000 1.417 85 I CB 0.167 38.188 38.000 0.034 0.000 1.078 85 I HN 0.759 nan 8.210 nan 0.000 0.421 86 S N -0.136 115.591 115.700 0.045 0.000 2.552 86 S HA 0.807 5.254 4.470 -0.038 0.000 0.272 86 S C -0.994 173.642 174.600 0.060 0.000 1.150 86 S CA -0.535 57.694 58.200 0.048 0.000 0.849 86 S CB 2.198 65.429 63.200 0.053 0.000 1.113 86 S HN 0.164 nan 8.310 nan 0.000 0.458 87 A N 1.445 124.297 122.820 0.054 0.000 2.456 87 A HA 0.723 5.020 4.320 -0.038 0.000 0.288 87 A C -1.265 176.346 177.584 0.046 0.000 1.042 87 A CA -0.643 51.428 52.037 0.058 0.000 0.738 87 A CB 1.207 20.234 19.000 0.044 0.000 1.266 87 A HN 1.439 nan 8.150 nan 0.000 0.407 88 V N 1.714 121.659 119.914 0.053 0.000 2.789 88 V HA 0.442 4.539 4.120 -0.038 0.000 0.311 88 V C 0.008 176.106 176.094 0.007 0.000 1.073 88 V CA -0.777 61.541 62.300 0.030 0.000 0.921 88 V CB 1.943 33.789 31.823 0.039 0.000 1.009 88 V HN 0.928 nan 8.190 nan 0.000 0.426 89 E N 2.934 123.124 120.200 -0.015 0.000 2.338 89 E HA 0.473 4.800 4.350 -0.038 0.000 0.272 89 E C -1.207 175.347 176.600 -0.077 0.000 1.029 89 E CA -0.304 56.069 56.400 -0.043 0.000 0.872 89 E CB 1.366 31.042 29.700 -0.040 0.000 1.015 89 E HN 0.434 nan 8.360 nan 0.000 0.417 90 L N 2.440 123.583 121.223 -0.133 0.000 2.317 90 L HA 0.273 4.590 4.340 -0.038 0.000 0.281 90 L C 0.174 176.932 176.870 -0.187 0.000 1.024 90 L CA -0.675 54.039 54.840 -0.211 0.000 0.810 90 L CB 1.191 43.002 42.059 -0.413 0.000 1.240 90 L HN 0.397 nan 8.230 nan 0.000 0.427 91 D N 1.293 121.591 120.400 -0.169 0.000 2.485 91 D HA 0.059 4.676 4.640 -0.038 0.000 0.221 91 D C 1.294 177.485 176.300 -0.181 0.000 1.112 91 D CA -0.207 53.708 54.000 -0.140 0.000 0.911 91 D CB 1.241 41.980 40.800 -0.101 0.000 1.019 91 D HN 0.707 nan 8.370 nan 0.000 0.516 92 T N 0.579 115.010 114.554 -0.205 0.000 2.849 92 T HA -0.187 4.141 4.350 -0.038 0.000 0.270 92 T C 1.819 176.407 174.700 -0.187 0.000 1.066 92 T CA 1.112 63.075 62.100 -0.229 0.000 1.130 92 T CB -0.070 68.677 68.868 -0.203 0.000 0.864 92 T HN 0.256 nan 8.240 nan 0.000 0.481 93 A N 1.161 123.891 122.820 -0.150 0.000 2.067 93 A HA 0.473 4.770 4.320 -0.038 0.000 0.219 93 A C 2.639 180.122 177.584 -0.169 0.000 1.158 93 A CA 1.514 53.467 52.037 -0.141 0.000 0.661 93 A CB -0.989 17.949 19.000 -0.104 0.000 0.801 93 A HN 0.763 nan 8.150 nan 0.000 0.452 94 A N -0.778 121.947 122.820 -0.159 0.000 1.887 94 A HA 0.109 4.407 4.320 -0.038 0.000 0.210 94 A C 2.198 179.676 177.584 -0.176 0.000 1.221 94 A CA 1.801 53.749 52.037 -0.149 0.000 0.635 94 A CB -0.768 18.173 19.000 -0.097 0.000 0.881 94 A HN 0.631 nan 8.150 nan 0.000 0.456 95 T N -3.289 111.180 114.554 -0.141 0.000 3.086 95 T HA 0.472 4.799 4.350 -0.038 0.000 0.250 95 T C 0.886 175.606 174.700 0.034 0.000 1.074 95 T CA 0.817 62.900 62.100 -0.029 0.000 0.988 95 T CB -0.092 68.777 68.868 0.001 0.000 0.988 95 T HN 1.900 nan 8.240 nan 0.000 0.530 96 G N 1.224 109.934 108.800 -0.150 0.000 2.629 96 G HA2 0.018 3.955 3.960 -0.038 0.000 0.686 96 G HA3 0.018 3.955 3.960 -0.038 0.000 0.686 96 G C -1.049 173.750 174.900 -0.169 0.000 1.232 96 G CA -1.089 43.963 45.100 -0.080 0.000 0.803 96 G HN 0.265 nan 8.290 nan 0.000 0.638 97 E N -0.254 119.877 120.200 -0.116 0.000 2.374 97 E HA 0.513 4.841 4.350 -0.038 0.000 0.260 97 E C 0.768 177.314 176.600 -0.089 0.000 1.101 97 E CA -0.599 55.718 56.400 -0.139 0.000 0.907 97 E CB 1.042 30.683 29.700 -0.098 0.000 1.014 97 E HN 0.386 nan 8.360 nan 0.000 0.427 98 L N 2.135 123.293 121.223 -0.109 0.000 2.472 98 L HA 0.186 4.503 4.340 -0.038 0.000 0.260 98 L C -2.026 174.860 176.870 0.027 0.000 1.209 98 L CA -1.309 53.541 54.840 0.017 0.000 0.817 98 L CB -0.674 41.393 42.059 0.013 0.000 1.106 98 L HN 0.279 nan 8.230 nan 0.000 0.479 99 P HA -0.001 nan 4.420 nan 0.000 0.267 99 P C -0.861 176.420 177.300 -0.032 0.000 1.200 99 P CA -0.269 62.858 63.100 0.045 0.000 0.772 99 P CB 0.326 32.102 31.700 0.126 0.000 0.855 100 V N 4.594 124.462 119.914 -0.077 0.000 2.617 100 V HA -0.091 4.006 4.120 -0.038 0.000 0.304 100 V C 0.813 176.854 176.094 -0.090 0.000 1.040 100 V CA 0.507 62.756 62.300 -0.085 0.000 1.149 100 V CB -0.522 31.259 31.823 -0.070 0.000 0.914 100 V HN 0.342 nan 8.190 nan 0.000 0.487 101 L N 4.222 125.325 121.223 -0.200 0.000 2.349 101 L HA 0.259 4.576 4.340 -0.038 0.000 0.275 101 L C 1.703 178.219 176.870 -0.591 0.000 1.115 101 L CA -0.093 54.587 54.840 -0.267 0.000 0.820 101 L CB 0.765 42.689 42.059 -0.225 0.000 1.135 101 L HN 0.705 nan 8.230 nan 0.000 0.445 102 E N 2.840 122.704 120.200 -0.560 0.000 2.130 102 E HA -0.259 4.068 4.350 -0.038 0.000 0.196 102 E C 1.543 177.733 176.600 -0.683 0.000 0.998 102 E CA 2.087 57.963 56.400 -0.874 0.000 0.806 102 E CB 0.259 29.904 29.700 -0.092 0.000 0.738 102 E HN 0.830 nan 8.360 nan 0.000 0.459 103 E N -0.064 119.943 120.200 -0.322 0.000 2.268 103 E HA -0.159 4.168 4.350 -0.038 0.000 0.195 103 E C 1.475 178.014 176.600 -0.101 0.000 0.995 103 E CA 0.937 57.257 56.400 -0.133 0.000 0.836 103 E CB -0.240 29.425 29.700 -0.058 0.000 0.763 103 E HN 0.320 nan 8.360 nan 0.000 0.491 104 E N -0.139 119.947 120.200 -0.189 0.000 2.482 104 E HA -0.039 4.288 4.350 -0.038 0.000 0.196 104 E C 1.068 177.755 176.600 0.145 0.000 1.047 104 E CA 0.073 56.451 56.400 -0.036 0.000 0.869 104 E CB -0.038 29.631 29.700 -0.052 0.000 0.836 104 E HN 0.263 nan 8.360 nan 0.000 0.520 105 F N 2.275 122.269 119.950 0.074 0.000 2.134 105 F HA -0.175 4.330 4.527 -0.037 0.000 0.299 105 F C 2.448 178.286 175.800 0.063 0.000 1.097 105 F CA 1.087 59.136 58.000 0.082 0.000 1.264 105 F CB -0.772 38.285 39.000 0.095 0.000 1.001 105 F HN 0.105 nan 8.300 nan 0.000 0.479 106 E N 0.255 120.604 120.200 0.248 0.000 2.152 106 E HA -0.093 4.235 4.350 -0.038 0.000 0.192 106 E C 2.286 178.944 176.600 0.097 0.000 0.983 106 E CA 1.168 57.657 56.400 0.148 0.000 0.818 106 E CB -1.204 28.567 29.700 0.117 0.000 0.758 106 E HN 0.257 nan 8.360 nan 0.000 0.467 107 V N 2.244 122.212 119.914 0.089 0.000 2.278 107 V HA -0.296 3.801 4.120 -0.038 0.000 0.251 107 V C 2.731 178.835 176.094 0.016 0.000 1.062 107 V CA 1.948 64.277 62.300 0.048 0.000 1.038 107 V CB -0.696 31.153 31.823 0.044 0.000 0.646 107 V HN 0.112 nan 8.190 nan 0.000 0.447 108 V N -0.221 119.709 119.914 0.027 0.000 2.287 108 V HA -0.342 3.755 4.120 -0.038 0.000 0.248 108 V C 2.428 178.456 176.094 -0.109 0.000 1.053 108 V CA 2.509 64.787 62.300 -0.038 0.000 1.027 108 V CB -0.669 31.154 31.823 -0.000 0.000 0.646 108 V HN 0.690 nan 8.190 nan 0.000 0.447 109 E N -0.312 119.862 120.200 -0.044 0.000 2.072 109 E HA -0.250 4.078 4.350 -0.038 0.000 0.191 109 E C 2.314 178.883 176.600 -0.051 0.000 0.985 109 E CA 1.291 57.662 56.400 -0.047 0.000 0.801 109 E CB -0.057 29.663 29.700 0.035 0.000 0.750 109 E HN 0.697 nan 8.360 nan 0.000 0.452 110 Q N 0.297 120.086 119.800 -0.018 0.000 2.030 110 Q HA -0.170 4.147 4.340 -0.038 0.000 0.204 110 Q C 2.453 178.430 176.000 -0.037 0.000 0.986 110 Q CA 1.599 57.398 55.803 -0.008 0.000 0.843 110 Q CB -0.103 28.642 28.738 0.013 0.000 0.904 110 Q HN 0.352 nan 8.270 nan 0.000 0.420 111 L N 0.253 121.438 121.223 -0.064 0.000 2.046 111 L HA -0.207 4.110 4.340 -0.038 0.000 0.208 111 L C 2.342 179.130 176.870 -0.137 0.000 1.077 111 L CA 0.932 55.724 54.840 -0.082 0.000 0.747 111 L CB -0.448 41.560 42.059 -0.086 0.000 0.896 111 L HN 0.280 nan 8.230 nan 0.000 0.432 112 L N -0.256 120.808 121.223 -0.266 0.000 2.083 112 L HA -0.185 4.132 4.340 -0.038 0.000 0.209 112 L C 2.834 179.572 176.870 -0.219 0.000 1.083 112 L CA 0.998 55.536 54.840 -0.503 0.000 0.752 112 L CB -0.718 40.642 42.059 -1.165 0.000 0.899 112 L HN 0.251 nan 8.230 nan 0.000 0.433 113 A N -0.197 122.589 122.820 -0.057 0.000 2.076 113 A HA -0.195 4.102 4.320 -0.038 0.000 0.220 113 A C 2.059 179.702 177.584 0.100 0.000 1.160 113 A CA 2.133 54.232 52.037 0.103 0.000 0.653 113 A CB -0.729 18.316 19.000 0.076 0.000 0.801 113 A HN 0.538 nan 8.150 nan 0.000 0.455 114 T N -3.596 110.986 114.554 0.047 0.000 3.129 114 T HA 0.193 4.520 4.350 -0.038 0.000 0.267 114 T C 0.032 174.761 174.700 0.048 0.000 1.018 114 T CA -0.057 62.070 62.100 0.046 0.000 0.903 114 T CB -0.042 68.840 68.868 0.023 0.000 1.067 114 T HN 0.335 nan 8.240 nan 0.000 0.549 115 D N 1.423 121.862 120.400 0.065 0.000 2.249 115 D HA 0.161 4.778 4.640 -0.038 0.000 0.246 115 D C 0.547 176.922 176.300 0.125 0.000 1.114 115 D CA -0.139 53.904 54.000 0.071 0.000 0.854 115 D CB 1.578 42.403 40.800 0.043 0.000 1.132 115 D HN 0.279 nan 8.370 nan 0.000 0.461 116 E N 2.510 122.758 120.200 0.080 0.000 2.153 116 E HA -0.166 4.161 4.350 -0.038 0.000 0.194 116 E C 1.841 178.488 176.600 0.078 0.000 0.988 116 E CA 0.944 57.385 56.400 0.069 0.000 0.811 116 E CB 0.358 30.082 29.700 0.039 0.000 0.746 116 E HN 0.430 nan 8.360 nan 0.000 0.466 117 R N 0.044 120.599 120.500 0.091 0.000 2.075 117 R HA -0.112 4.205 4.340 -0.038 0.000 0.232 117 R C 2.164 178.549 176.300 0.142 0.000 1.126 117 R CA 1.317 57.470 56.100 0.087 0.000 0.963 117 R CB -0.321 30.025 30.300 0.076 0.000 0.858 117 R HN 0.381 nan 8.270 nan 0.000 0.435 118 W N 1.466 122.748 121.300 -0.030 0.000 2.354 118 W HA -0.162 4.494 4.660 -0.008 0.000 0.315 118 W C 1.558 178.065 176.519 -0.019 0.000 1.206 118 W CA 1.261 58.590 57.345 -0.026 0.000 1.290 118 W CB -0.201 29.247 29.460 -0.021 0.000 1.152 118 W HN 0.076 nan 8.180 nan 0.000 0.489 119 L N 0.841 122.164 121.223 0.168 0.000 2.079 119 L HA -0.277 4.041 4.340 -0.038 0.000 0.210 119 L C 2.589 179.438 176.870 -0.036 0.000 1.081 119 L CA 1.827 56.693 54.840 0.042 0.000 0.752 119 L CB -0.902 41.206 42.059 0.081 0.000 0.896 119 L HN -0.036 nan 8.230 nan 0.000 0.433 120 K N 0.336 120.726 120.400 -0.016 0.000 2.097 120 K HA -0.164 4.133 4.320 -0.038 0.000 0.205 120 K C 2.150 178.698 176.600 -0.087 0.000 1.050 120 K CA 1.219 57.484 56.287 -0.037 0.000 0.938 120 K CB -0.054 32.437 32.500 -0.015 0.000 0.718 120 K HN 0.253 nan 8.250 nan 0.000 0.442 121 A N 1.340 124.079 122.820 -0.135 0.000 1.902 121 A HA -0.105 4.192 4.320 -0.038 0.000 0.217 121 A C 2.096 179.522 177.584 -0.263 0.000 1.181 121 A CA 1.268 53.178 52.037 -0.212 0.000 0.623 121 A CB -0.601 18.213 19.000 -0.309 0.000 0.818 121 A HN 0.316 nan 8.150 nan 0.000 0.443 122 L N -0.888 120.137 121.223 -0.330 0.000 2.093 122 L HA -0.163 4.154 4.340 -0.038 0.000 0.208 122 L C 3.077 179.854 176.870 -0.156 0.000 1.085 122 L CA 0.969 55.641 54.840 -0.281 0.000 0.755 122 L CB -0.638 41.247 42.059 -0.289 0.000 0.904 122 L HN 0.448 nan 8.230 nan 0.000 0.435 123 A N 0.311 123.061 122.820 -0.116 0.000 1.902 123 A HA -0.146 4.151 4.320 -0.038 0.000 0.217 123 A C 2.535 180.077 177.584 -0.070 0.000 1.181 123 A CA 1.643 53.636 52.037 -0.074 0.000 0.623 123 A CB -0.618 18.351 19.000 -0.051 0.000 0.818 123 A HN 0.387 nan 8.150 nan 0.000 0.443 124 A N -0.389 122.383 122.820 -0.079 0.000 2.019 124 A HA -0.120 4.178 4.320 -0.038 0.000 0.219 124 A C 2.123 179.666 177.584 -0.069 0.000 1.164 124 A CA 1.450 53.446 52.037 -0.068 0.000 0.644 124 A CB -0.327 18.631 19.000 -0.070 0.000 0.805 124 A HN 0.551 nan 8.150 nan 0.000 0.449 125 R N -0.841 119.607 120.500 -0.086 0.000 2.334 125 R HA 0.099 4.416 4.340 -0.038 0.000 0.216 125 R C -0.275 175.983 176.300 -0.069 0.000 0.905 125 R CA 0.213 56.265 56.100 -0.079 0.000 1.064 125 R CB 0.148 30.387 30.300 -0.102 0.000 1.046 125 R HN 0.469 nan 8.270 nan 0.000 0.508 126 N N 0.887 119.547 118.700 -0.066 0.000 2.735 126 N HA -0.179 4.539 4.740 -0.038 0.000 0.248 126 N C -1.022 174.455 175.510 -0.056 0.000 1.083 126 N CA 0.948 53.966 53.050 -0.053 0.000 0.703 126 N CB -1.416 37.047 38.487 -0.040 0.000 1.005 126 N HN 0.268 nan 8.380 nan 0.000 0.550 127 L N 0.321 121.499 121.223 -0.074 0.000 2.295 127 L HA 0.314 4.631 4.340 -0.038 0.000 0.285 127 L C 0.703 177.539 176.870 -0.057 0.000 1.035 127 L CA -0.854 53.942 54.840 -0.073 0.000 0.806 127 L CB 1.304 43.301 42.059 -0.104 0.000 1.214 127 L HN -0.088 nan 8.230 nan 0.000 0.426 128 D N 2.283 122.662 120.400 -0.035 0.000 2.358 128 D HA -0.017 4.600 4.640 -0.038 0.000 0.258 128 D C 0.879 177.179 176.300 -0.001 0.000 1.223 128 D CA 0.134 54.125 54.000 -0.014 0.000 0.886 128 D CB 1.678 42.475 40.800 -0.005 0.000 1.120 128 D HN 0.299 nan 8.370 nan 0.000 0.482 129 V N 3.947 123.868 119.914 0.013 0.000 2.453 129 V HA -0.273 3.824 4.120 -0.038 0.000 0.252 129 V C 2.025 178.161 176.094 0.071 0.000 1.068 129 V CA 2.893 65.227 62.300 0.056 0.000 1.070 129 V CB -0.496 31.379 31.823 0.086 0.000 0.664 129 V HN 0.737 nan 8.190 nan 0.000 0.461 130 S N -1.511 114.218 115.700 0.048 0.000 2.515 130 S HA -0.052 4.395 4.470 -0.038 0.000 0.231 130 S C 1.680 176.304 174.600 0.040 0.000 0.987 130 S CA 0.906 59.134 58.200 0.047 0.000 0.936 130 S CB -0.304 62.918 63.200 0.037 0.000 0.766 130 S HN 0.737 nan 8.310 nan 0.000 0.528 131 K N 0.631 121.050 120.400 0.031 0.000 2.358 131 K HA 0.285 4.583 4.320 -0.038 0.000 0.197 131 K C -0.659 175.953 176.600 0.020 0.000 1.025 131 K CA -0.026 56.271 56.287 0.016 0.000 1.104 131 K CB 0.915 33.415 32.500 -0.001 0.000 0.855 131 K HN 0.211 nan 8.250 nan 0.000 0.531 132 V N 3.694 123.637 119.914 0.050 0.000 2.334 132 V HA 0.174 4.272 4.120 -0.038 0.000 0.267 132 V C 0.173 176.340 176.094 0.122 0.000 1.040 132 V CA -0.679 61.669 62.300 0.080 0.000 0.866 132 V CB 0.503 32.384 31.823 0.097 0.000 1.019 132 V HN 0.155 nan 8.190 nan 0.000 0.468 133 R N 3.309 123.861 120.500 0.087 0.000 2.490 133 R HA 0.541 4.858 4.340 -0.038 0.000 0.280 133 R C -0.659 175.737 176.300 0.159 0.000 1.077 133 R CA -0.346 55.798 56.100 0.073 0.000 1.065 133 R CB 1.602 31.879 30.300 -0.037 0.000 1.003 133 R HN 0.434 nan 8.270 nan 0.000 0.470 134 V N 1.895 121.896 119.914 0.146 0.000 2.531 134 V HA 0.404 4.501 4.120 -0.038 0.000 0.301 134 V C -0.066 176.126 176.094 0.162 0.000 1.034 134 V CA -1.153 61.265 62.300 0.197 0.000 0.865 134 V CB 1.793 33.693 31.823 0.128 0.000 0.995 134 V HN 0.848 nan 8.190 nan 0.000 0.424 135 A N 7.517 130.489 122.820 0.253 0.000 2.302 135 A HA 0.641 4.939 4.320 -0.038 0.000 0.295 135 A C -2.200 175.513 177.584 0.215 0.000 1.235 135 A CA -1.416 50.755 52.037 0.223 0.000 0.876 135 A CB 0.196 19.433 19.000 0.395 0.000 1.133 135 A HN 0.591 nan 8.150 nan 0.000 0.533 136 P HA 0.269 nan 4.420 nan 0.000 0.268 136 P C -0.828 176.586 177.300 0.190 0.000 1.541 136 P CA 0.242 63.437 63.100 0.158 0.000 1.093 136 P CB 0.142 31.963 31.700 0.201 0.000 1.551 137 L N 2.129 123.510 121.223 0.263 0.000 2.343 137 L HA 0.389 4.707 4.340 -0.038 0.000 0.275 137 L C 1.205 178.341 176.870 0.444 0.000 1.056 137 L CA -0.884 54.181 54.840 0.377 0.000 0.804 137 L CB 1.009 43.433 42.059 0.608 0.000 1.203 137 L HN 0.240 nan 8.230 nan 0.000 0.440 138 S N 0.635 116.689 115.700 0.590 0.000 2.563 138 S HA 0.207 4.654 4.470 -0.038 0.000 0.284 138 S C 0.841 175.703 174.600 0.436 0.000 1.331 138 S CA -0.126 58.331 58.200 0.427 0.000 1.047 138 S CB 1.326 64.802 63.200 0.459 0.000 0.859 138 S HN 0.743 nan 8.310 nan 0.000 0.514 139 A N 2.926 125.880 122.820 0.225 0.000 1.984 139 A HA 0.566 4.863 4.320 -0.038 0.000 0.214 139 A C 1.554 179.333 177.584 0.326 0.000 1.173 139 A CA 0.701 52.825 52.037 0.145 0.000 0.673 139 A CB -1.474 17.509 19.000 -0.027 0.000 0.830 139 A HN 2.300 nan 8.150 nan 0.000 0.453 140 G N -1.804 107.142 108.800 0.243 0.000 2.645 140 G HA2 -0.042 3.895 3.960 -0.038 0.000 0.239 140 G HA3 -0.042 3.895 3.960 -0.038 0.000 0.239 140 G C -0.416 174.439 174.900 -0.075 0.000 1.331 140 G CA -0.212 44.973 45.100 0.141 0.000 0.890 140 G HN 1.159 nan 8.290 nan 0.000 0.572 141 V N 0.942 120.578 119.914 -0.465 0.000 2.488 141 V HA 0.691 4.788 4.120 -0.038 0.000 0.293 141 V C -0.141 175.472 176.094 -0.801 0.000 1.027 141 V CA -0.372 61.680 62.300 -0.413 0.000 0.862 141 V CB 1.112 32.763 31.823 -0.286 0.000 1.008 141 V HN 0.707 nan 8.190 nan 0.000 0.428 142 F N 1.900 121.811 119.950 -0.065 0.000 3.142 142 F HA 0.414 4.919 4.527 -0.036 0.000 0.166 142 F C 1.694 177.334 175.800 -0.266 0.000 1.598 142 F CA -0.390 57.512 58.000 -0.163 0.000 0.920 142 F CB 0.215 39.105 39.000 -0.183 0.000 1.949 142 F HN 0.457 nan 8.300 nan 0.000 0.306 143 E N 0.477 120.486 120.200 -0.319 0.000 2.465 143 E HA 0.015 4.343 4.350 -0.038 0.000 0.195 143 E C -1.099 175.338 176.600 -0.273 0.000 1.028 143 E CA 0.114 56.340 56.400 -0.291 0.000 0.899 143 E CB -0.508 29.050 29.700 -0.237 0.000 1.032 143 E HN 0.473 nan 8.360 nan 0.000 0.468 144 Y N 1.288 121.633 120.300 0.076 0.000 2.691 144 Y HA 0.443 4.971 4.550 -0.037 0.000 0.338 144 Y C 1.585 177.496 175.900 0.018 0.000 1.148 144 Y CA -0.423 57.707 58.100 0.050 0.000 1.430 144 Y CB 0.658 39.141 38.460 0.038 0.000 1.303 144 Y HN 0.089 nan 8.280 nan 0.000 0.499 145 A N 2.365 125.261 122.820 0.127 0.000 1.948 145 A HA -0.237 4.060 4.320 -0.038 0.000 0.220 145 A C 2.163 179.782 177.584 0.058 0.000 1.177 145 A CA 1.950 54.025 52.037 0.063 0.000 0.636 145 A CB -0.294 18.733 19.000 0.045 0.000 0.815 145 A HN 0.719 nan 8.150 nan 0.000 0.449 146 E N 0.551 120.800 120.200 0.081 0.000 2.472 146 E HA -0.167 4.160 4.350 -0.038 0.000 0.200 146 E C 1.106 177.728 176.600 0.037 0.000 1.046 146 E CA 1.271 57.701 56.400 0.050 0.000 0.871 146 E CB -0.385 29.345 29.700 0.050 0.000 0.806 146 E HN 0.778 nan 8.360 nan 0.000 0.533 147 E N 0.598 120.831 120.200 0.055 0.000 2.318 147 E HA 0.074 4.401 4.350 -0.038 0.000 0.193 147 E C 0.229 176.825 176.600 -0.006 0.000 0.998 147 E CA -0.204 56.212 56.400 0.027 0.000 0.859 147 E CB 0.192 29.924 29.700 0.055 0.000 0.812 147 E HN 0.152 nan 8.360 nan 0.000 0.492 148 R N 0.538 121.031 120.500 -0.011 0.000 2.446 148 R HA 0.102 4.420 4.340 -0.038 0.000 0.325 148 R C 0.727 176.998 176.300 -0.047 0.000 0.997 148 R CA 0.748 56.822 56.100 -0.043 0.000 1.010 148 R CB 0.324 30.597 30.300 -0.046 0.000 0.946 148 R HN 0.319 nan 8.270 nan 0.000 0.422 149 G N 2.495 111.256 108.800 -0.063 0.000 2.254 149 G HA2 -0.217 3.720 3.960 -0.038 0.000 0.225 149 G HA3 -0.217 3.720 3.960 -0.038 0.000 0.225 149 G C 0.045 174.915 174.900 -0.050 0.000 1.003 149 G CA -0.536 44.526 45.100 -0.063 0.000 0.622 149 G HN 0.409 nan 8.290 nan 0.000 0.507 150 R N 0.498 120.976 120.500 -0.038 0.000 2.457 150 R HA 0.574 4.892 4.340 -0.038 0.000 0.284 150 R C 0.371 176.653 176.300 -0.031 0.000 1.024 150 R CA -0.998 55.086 56.100 -0.026 0.000 1.025 150 R CB 0.802 31.092 30.300 -0.018 0.000 1.063 150 R HN 0.425 nan 8.270 nan 0.000 0.493 151 R N 3.268 123.756 120.500 -0.020 0.000 2.296 151 R HA 0.235 4.552 4.340 -0.038 0.000 0.327 151 R C -0.449 175.835 176.300 -0.027 0.000 1.137 151 R CA -0.277 55.805 56.100 -0.030 0.000 1.020 151 R CB 0.142 30.430 30.300 -0.021 0.000 1.110 151 R HN 0.362 nan 8.270 nan 0.000 0.499 152 I N 5.327 125.876 120.570 -0.035 0.000 2.498 152 I HA 0.397 4.544 4.170 -0.038 0.000 0.301 152 I C 0.104 176.202 176.117 -0.032 0.000 0.984 152 I CA -0.947 60.328 61.300 -0.042 0.000 1.204 152 I CB 1.521 39.477 38.000 -0.073 0.000 1.362 152 I HN 0.620 nan 8.210 nan 0.000 0.471 153 L N 4.891 126.097 121.223 -0.029 0.000 2.388 153 L HA 0.548 4.865 4.340 -0.038 0.000 0.264 153 L C -0.312 176.534 176.870 -0.040 0.000 0.998 153 L CA -0.818 54.026 54.840 0.006 0.000 0.817 153 L CB 2.740 44.831 42.059 0.054 0.000 1.338 153 L HN 0.548 nan 8.230 nan 0.000 0.414 154 R N 0.661 121.132 120.500 -0.048 0.000 2.778 154 R HA 0.744 5.062 4.340 -0.038 0.000 0.277 154 R C -0.438 175.903 176.300 0.067 0.000 0.977 154 R CA -0.866 55.160 56.100 -0.124 0.000 0.950 154 R CB 2.180 32.075 30.300 -0.675 0.000 1.165 154 R HN 0.740 nan 8.270 nan 0.000 0.474 155 G N 1.819 110.678 108.800 0.099 0.000 2.617 155 G HA2 0.596 4.533 3.960 -0.038 0.000 0.306 155 G HA3 0.596 4.533 3.960 -0.038 0.000 0.306 155 G C -1.075 174.023 174.900 0.330 0.000 1.360 155 G CA -0.594 44.615 45.100 0.181 0.000 0.983 155 G HN 0.267 nan 8.290 nan 0.000 0.496 156 L N 1.518 123.005 121.223 0.441 0.000 2.365 156 L HA 0.700 5.017 4.340 -0.038 0.000 0.273 156 L C 0.549 177.599 176.870 0.299 0.000 1.000 156 L CA -1.020 54.071 54.840 0.417 0.000 0.819 156 L CB 2.190 44.595 42.059 0.577 0.000 1.284 156 L HN 0.648 nan 8.230 nan 0.000 0.418 157 A N 3.191 126.066 122.820 0.091 0.000 2.327 157 A HA 0.796 5.093 4.320 -0.038 0.000 0.283 157 A C -1.116 176.166 177.584 -0.504 0.000 1.127 157 A CA -0.055 51.985 52.037 0.006 0.000 0.810 157 A CB 0.229 19.262 19.000 0.054 0.000 1.066 157 A HN 0.513 nan 8.150 nan 0.000 0.492 158 F N 1.225 121.149 119.950 -0.044 0.000 2.573 158 F HA 0.384 4.891 4.527 -0.033 0.000 0.316 158 F C -0.123 175.620 175.800 -0.095 0.000 1.148 158 F CA -0.698 57.225 58.000 -0.128 0.000 0.940 158 F CB 2.159 40.949 39.000 -0.350 0.000 1.214 158 F HN 0.319 nan 8.300 nan 0.000 0.448 159 V N 2.993 122.964 119.914 0.094 0.000 2.530 159 V HA 0.223 4.320 4.120 -0.038 0.000 0.282 159 V C -0.171 175.965 176.094 0.070 0.000 1.048 159 V CA -0.382 61.945 62.300 0.045 0.000 0.997 159 V CB 1.284 33.093 31.823 -0.023 0.000 0.987 159 V HN 0.782 nan 8.190 nan 0.000 0.477 160 Q N 2.777 122.570 119.800 -0.011 0.000 2.413 160 Q HA 0.226 4.543 4.340 -0.038 0.000 0.258 160 Q C 0.064 176.010 176.000 -0.091 0.000 1.037 160 Q CA -0.626 55.134 55.803 -0.071 0.000 0.764 160 Q CB 1.102 29.775 28.738 -0.108 0.000 1.217 160 Q HN 0.781 nan 8.270 nan 0.000 0.490 161 D N 3.131 123.459 120.400 -0.119 0.000 2.265 161 D HA -0.059 4.558 4.640 -0.038 0.000 0.208 161 D C 0.082 176.494 176.300 0.188 0.000 0.977 161 D CA 1.326 55.332 54.000 0.009 0.000 0.871 161 D CB 0.021 40.879 40.800 0.096 0.000 0.925 161 D HN 0.448 nan 8.370 nan 0.000 0.485 162 F N -4.871 115.074 119.950 -0.008 0.000 2.770 162 F HA 0.322 4.822 4.527 -0.045 0.000 0.313 162 F C -2.342 173.453 175.800 -0.010 0.000 1.154 162 F CA -1.765 56.228 58.000 -0.013 0.000 0.923 162 F CB 0.501 39.487 39.000 -0.023 0.000 1.301 162 F HN -0.418 nan 8.300 nan 0.000 0.449 163 P HA -0.214 nan 4.420 nan 0.000 0.217 163 P C 0.550 177.853 177.300 0.005 0.000 1.158 163 P CA 2.026 65.170 63.100 0.072 0.000 0.887 163 P CB 0.172 31.938 31.700 0.110 0.000 0.792 164 E N -0.329 119.937 120.200 0.110 0.000 2.445 164 E HA 0.051 4.378 4.350 -0.038 0.000 0.189 164 E C 0.150 176.591 176.600 -0.265 0.000 1.069 164 E CA 0.030 56.444 56.400 0.024 0.000 0.871 164 E CB -0.717 29.095 29.700 0.188 0.000 0.991 164 E HN 0.352 nan 8.360 nan 0.000 0.481 165 D N 0.205 120.138 120.400 -0.779 0.000 2.304 165 D HA 0.013 4.630 4.640 -0.038 0.000 0.247 165 D C -0.471 175.591 176.300 -0.397 0.000 1.089 165 D CA -0.110 53.324 54.000 -0.944 0.000 0.910 165 D CB 0.949 40.922 40.800 -1.379 0.000 1.199 165 D HN -0.233 nan 8.370 nan 0.000 0.426 166 S N 2.350 117.896 115.700 -0.256 0.000 2.411 166 S HA 0.420 4.867 4.470 -0.038 0.000 0.304 166 S C 1.038 175.571 174.600 -0.113 0.000 1.098 166 S CA -0.245 57.886 58.200 -0.114 0.000 1.068 166 S CB 0.257 63.433 63.200 -0.040 0.000 1.032 166 S HN 0.512 nan 8.310 nan 0.000 0.511 167 A N 4.924 127.587 122.820 -0.263 0.000 2.070 167 A HA -0.022 4.275 4.320 -0.038 0.000 0.220 167 A C 1.410 178.858 177.584 -0.227 0.000 1.159 167 A CA 0.849 52.739 52.037 -0.245 0.000 0.656 167 A CB -0.707 18.067 19.000 -0.378 0.000 0.800 167 A HN 0.992 nan 8.150 nan 0.000 0.453 168 W N -0.169 121.111 121.300 -0.033 0.000 2.421 168 W HA -0.007 4.635 4.660 -0.030 0.000 0.270 168 W C 2.402 179.026 176.519 0.175 0.000 1.233 168 W CA 0.789 58.118 57.345 -0.026 0.000 1.226 168 W CB -0.150 29.293 29.460 -0.028 0.000 1.121 168 W HN 0.367 nan 8.180 nan 0.000 0.579 169 A N -0.514 122.465 122.820 0.266 0.000 2.119 169 A HA -0.082 4.215 4.320 -0.038 0.000 0.217 169 A C 0.219 177.622 177.584 -0.301 0.000 1.153 169 A CA 0.886 52.946 52.037 0.037 0.000 0.692 169 A CB -0.858 18.073 19.000 -0.114 0.000 0.799 169 A HN 0.494 nan 8.150 nan 0.000 0.458 170 H N -0.313 118.871 119.070 0.189 0.000 2.386 170 H HA 0.251 4.797 4.556 -0.018 0.000 0.232 170 H C -2.787 172.562 175.328 0.035 0.000 1.416 170 H CA -2.013 54.089 56.048 0.091 0.000 1.285 170 H CB 0.384 30.179 29.762 0.055 0.000 1.625 170 H HN 0.290 nan 8.280 nan 0.000 0.521 171 P HA -0.015 nan 4.420 nan 0.000 0.271 171 P C 0.007 177.142 177.300 -0.275 0.000 1.216 171 P CA -0.164 62.748 63.100 -0.313 0.000 0.776 171 P CB 2.090 33.677 31.700 -0.189 0.000 0.881 172 V N 3.549 123.221 119.914 -0.403 0.000 2.259 172 V HA 0.145 4.242 4.120 -0.038 0.000 0.267 172 V C 0.675 176.630 176.094 -0.232 0.000 1.051 172 V CA -0.294 61.862 62.300 -0.241 0.000 0.830 172 V CB 0.288 31.970 31.823 -0.236 0.000 1.080 172 V HN 0.530 nan 8.190 nan 0.000 0.467 173 D N 3.064 123.336 120.400 -0.214 0.000 2.377 173 D HA 0.401 5.018 4.640 -0.038 0.000 0.245 173 D C 1.327 177.551 176.300 -0.126 0.000 1.196 173 D CA 1.365 55.161 54.000 -0.339 0.000 0.962 173 D CB 1.702 42.032 40.800 -0.782 0.000 1.127 173 D HN 0.735 nan 8.370 nan 0.000 0.471 174 G N 0.166 108.883 108.800 -0.138 0.000 2.162 174 G HA2 -0.223 3.714 3.960 -0.038 0.000 0.260 174 G HA3 -0.223 3.714 3.960 -0.038 0.000 0.260 174 G C -0.076 174.884 174.900 0.100 0.000 0.976 174 G CA 0.661 45.885 45.100 0.206 0.000 0.655 174 G HN 0.502 nan 8.290 nan 0.000 0.533 175 L N -0.089 121.154 121.223 0.032 0.000 2.436 175 L HA 0.918 5.235 4.340 -0.038 0.000 0.268 175 L C -0.742 176.210 176.870 0.138 0.000 0.974 175 L CA -1.079 53.780 54.840 0.032 0.000 0.826 175 L CB 2.416 44.409 42.059 -0.109 0.000 1.291 175 L HN 0.621 nan 8.230 nan 0.000 0.406 176 V N 4.023 124.053 119.914 0.193 0.000 2.969 176 V HA 0.957 5.054 4.120 -0.038 0.000 0.304 176 V C -1.258 174.907 176.094 0.117 0.000 1.192 176 V CA 0.283 62.735 62.300 0.253 0.000 0.962 176 V CB 2.072 34.079 31.823 0.306 0.000 1.045 176 V HN 1.187 nan 8.190 nan 0.000 0.428 177 A N 5.187 128.063 122.820 0.094 0.000 2.374 177 A HA 0.964 5.261 4.320 -0.038 0.000 0.317 177 A C -1.929 175.630 177.584 -0.041 0.000 1.094 177 A CA -0.458 51.506 52.037 -0.122 0.000 0.765 177 A CB 1.556 20.384 19.000 -0.286 0.000 1.268 177 A HN 0.832 nan 8.150 nan 0.000 0.438 178 Y N 0.403 120.579 120.300 -0.207 0.000 2.364 178 Y HA 0.613 5.141 4.550 -0.036 0.000 0.340 178 Y C -0.132 175.655 175.900 -0.187 0.000 0.975 178 Y CA -1.660 56.295 58.100 -0.241 0.000 1.089 178 Y CB 1.739 40.015 38.460 -0.306 0.000 1.192 178 Y HN 0.352 nan 8.280 nan 0.000 0.454 179 V N 3.143 123.058 119.914 0.002 0.000 2.638 179 V HA 0.237 4.334 4.120 -0.038 0.000 0.306 179 V C -0.697 175.382 176.094 -0.025 0.000 1.052 179 V CA -1.055 61.223 62.300 -0.036 0.000 0.885 179 V CB 2.238 34.021 31.823 -0.065 0.000 0.999 179 V HN 0.684 nan 8.190 nan 0.000 0.424 180 D N 3.478 123.865 120.400 -0.022 0.000 2.411 180 D HA 0.139 4.756 4.640 -0.038 0.000 0.225 180 D C 1.030 177.326 176.300 -0.006 0.000 1.156 180 D CA -0.233 53.759 54.000 -0.014 0.000 0.874 180 D CB 1.844 42.637 40.800 -0.011 0.000 1.034 180 D HN 0.446 nan 8.370 nan 0.000 0.502 181 V N 2.171 122.085 119.914 0.000 0.000 3.305 181 V HA -0.080 4.017 4.120 -0.038 0.000 0.269 181 V C 1.593 177.708 176.094 0.035 0.000 1.157 181 V CA 0.482 62.790 62.300 0.013 0.000 1.157 181 V CB -0.413 31.418 31.823 0.013 0.000 0.772 181 V HN 0.362 nan 8.190 nan 0.000 0.498 182 V N 1.362 121.298 119.914 0.038 0.000 2.490 182 V HA -0.049 4.048 4.120 -0.038 0.000 0.238 182 V C 2.767 178.875 176.094 0.023 0.000 1.056 182 V CA 1.779 64.111 62.300 0.053 0.000 1.075 182 V CB -0.047 31.813 31.823 0.063 0.000 0.746 182 V HN 0.701 nan 8.190 nan 0.000 0.479 183 S N -0.703 115.003 115.700 0.010 0.000 2.522 183 S HA -0.049 4.398 4.470 -0.038 0.000 0.227 183 S C 0.926 175.526 174.600 0.000 0.000 0.986 183 S CA 0.482 58.683 58.200 0.002 0.000 0.929 183 S CB -0.378 62.820 63.200 -0.003 0.000 0.769 183 S HN 0.573 nan 8.310 nan 0.000 0.529 184 K N 0.883 121.284 120.400 0.001 0.000 3.161 184 K HA -0.133 4.164 4.320 -0.038 0.000 0.270 184 K C -1.062 175.528 176.600 -0.016 0.000 1.115 184 K CA 0.808 57.091 56.287 -0.006 0.000 0.789 184 K CB -1.721 30.779 32.500 0.000 0.000 1.256 184 K HN 0.689 nan 8.250 nan 0.000 0.492 185 E N 0.037 120.225 120.200 -0.020 0.000 2.238 185 E HA 0.331 4.658 4.350 -0.038 0.000 0.267 185 E C -0.443 176.134 176.600 -0.039 0.000 0.887 185 E CA -1.039 55.345 56.400 -0.026 0.000 0.769 185 E CB 2.292 31.981 29.700 -0.018 0.000 1.187 185 E HN -0.062 nan 8.360 nan 0.000 0.416 186 V N 3.265 123.148 119.914 -0.052 0.000 2.356 186 V HA -0.028 4.069 4.120 -0.038 0.000 0.258 186 V C 1.447 177.507 176.094 -0.057 0.000 1.065 186 V CA 0.308 62.564 62.300 -0.074 0.000 0.935 186 V CB 0.102 31.866 31.823 -0.099 0.000 1.061 186 V HN 0.923 nan 8.190 nan 0.000 0.484 187 T N 2.315 116.842 114.554 -0.044 0.000 2.962 187 T HA -0.004 4.324 4.350 -0.038 0.000 0.270 187 T C 0.808 175.464 174.700 -0.074 0.000 1.088 187 T CA 0.699 62.777 62.100 -0.037 0.000 1.127 187 T CB 0.322 69.183 68.868 -0.010 0.000 0.883 187 T HN 0.526 nan 8.240 nan 0.000 0.493 188 R N -0.930 119.489 120.500 -0.134 0.000 2.687 188 R HA 0.534 4.851 4.340 -0.038 0.000 0.265 188 R C -2.537 173.587 176.300 -0.293 0.000 1.048 188 R CA -0.588 55.365 56.100 -0.246 0.000 0.884 188 R CB 2.072 32.123 30.300 -0.415 0.000 1.258 188 R HN 0.074 nan 8.270 nan 0.000 0.469 189 V N 4.952 124.744 119.914 -0.203 0.000 2.524 189 V HA 0.475 4.572 4.120 -0.038 0.000 0.297 189 V C -0.413 175.620 176.094 -0.103 0.000 1.035 189 V CA -0.572 61.676 62.300 -0.086 0.000 0.867 189 V CB 1.750 33.621 31.823 0.080 0.000 1.004 189 V HN 0.554 nan 8.190 nan 0.000 0.426 190 I N 4.034 124.529 120.570 -0.125 0.000 2.354 190 I HA 0.509 4.656 4.170 -0.038 0.000 0.292 190 I C -0.754 175.362 176.117 -0.001 0.000 0.989 190 I CA -0.185 61.069 61.300 -0.077 0.000 1.188 190 I CB 1.797 39.733 38.000 -0.107 0.000 1.342 190 I HN 0.509 nan 8.210 nan 0.000 0.457 191 D N 4.569 124.972 120.400 0.004 0.000 2.421 191 D HA 0.152 4.769 4.640 -0.038 0.000 0.254 191 D C 0.727 177.044 176.300 0.028 0.000 1.238 191 D CA -0.316 53.692 54.000 0.012 0.000 0.919 191 D CB 1.550 42.340 40.800 -0.017 0.000 1.152 191 D HN 0.642 nan 8.370 nan 0.000 0.552 192 T N 0.217 114.811 114.554 0.067 0.000 3.129 192 T HA 0.470 4.797 4.350 -0.038 0.000 0.251 192 T C 0.939 175.673 174.700 0.056 0.000 1.117 192 T CA 0.265 62.411 62.100 0.077 0.000 1.034 192 T CB 0.318 69.262 68.868 0.127 0.000 0.968 192 T HN 0.562 nan 8.240 nan 0.000 0.526 193 G N 0.150 108.979 108.800 0.047 0.000 2.307 193 G HA2 0.304 4.242 3.960 -0.038 0.000 0.348 193 G HA3 0.304 4.242 3.960 -0.038 0.000 0.348 193 G C -1.217 173.671 174.900 -0.021 0.000 1.603 193 G CA -0.835 44.239 45.100 -0.044 0.000 0.961 193 G HN 0.248 nan 8.290 nan 0.000 0.686 194 V N 1.165 121.022 119.914 -0.095 0.000 2.637 194 V HA 0.590 4.687 4.120 -0.038 0.000 0.296 194 V C -0.045 175.969 176.094 -0.133 0.000 1.046 194 V CA 0.331 62.601 62.300 -0.049 0.000 1.066 194 V CB 0.736 32.517 31.823 -0.068 0.000 0.968 194 V HN 0.534 nan 8.190 nan 0.000 0.483 195 F N 4.268 124.183 119.950 -0.060 0.000 2.551 195 F HA 0.549 5.046 4.527 -0.051 0.000 0.316 195 F C -2.016 173.756 175.800 -0.045 0.000 1.089 195 F CA -2.346 55.624 58.000 -0.050 0.000 0.915 195 F CB 1.805 40.774 39.000 -0.051 0.000 1.186 195 F HN 0.338 nan 8.300 nan 0.000 0.456 196 P HA 0.120 nan 4.420 nan 0.000 0.268 196 P C -0.931 176.422 177.300 0.089 0.000 1.204 196 P CA -0.149 63.001 63.100 0.082 0.000 0.768 196 P CB 0.577 32.318 31.700 0.069 0.000 0.842 197 V N 6.572 126.518 119.914 0.054 0.000 2.408 197 V HA 0.174 4.271 4.120 -0.038 0.000 0.267 197 V C -1.871 174.275 176.094 0.087 0.000 1.047 197 V CA -1.571 60.759 62.300 0.050 0.000 0.937 197 V CB 0.544 32.377 31.823 0.015 0.000 0.999 197 V HN 0.576 nan 8.190 nan 0.000 0.472 198 P HA 0.028 nan 4.420 nan 0.000 0.260 198 P C 0.426 177.880 177.300 0.256 0.000 1.172 198 P CA 0.368 63.542 63.100 0.124 0.000 0.760 198 P CB 0.791 32.523 31.700 0.054 0.000 0.773 199 A N 3.668 126.606 122.820 0.197 0.000 1.997 199 A HA -0.000 4.297 4.320 -0.038 0.000 0.212 199 A C 0.781 178.548 177.584 0.306 0.000 1.178 199 A CA 0.422 52.592 52.037 0.221 0.000 0.698 199 A CB -0.371 18.699 19.000 0.117 0.000 0.842 199 A HN 0.549 nan 8.150 nan 0.000 0.458 200 E N 0.776 121.110 120.200 0.223 0.000 2.415 200 E HA 0.219 4.546 4.350 -0.038 0.000 0.262 200 E C -0.286 176.485 176.600 0.285 0.000 1.038 200 E CA 0.028 56.547 56.400 0.198 0.000 0.921 200 E CB 0.291 30.061 29.700 0.116 0.000 0.950 200 E HN 0.772 nan 8.360 nan 0.000 0.438 201 H N -0.823 118.405 119.070 0.264 0.000 2.505 201 H HA 0.479 5.009 4.556 -0.042 0.000 0.355 201 H C 0.385 175.816 175.328 0.172 0.000 1.179 201 H CA -0.840 55.335 56.048 0.211 0.000 1.343 201 H CB 1.128 31.022 29.762 0.221 0.000 1.501 201 H HN 0.492 nan 8.280 nan 0.000 0.569 202 G N 1.557 110.503 108.800 0.244 0.000 4.757 202 G HA2 0.067 4.004 3.960 -0.038 0.000 0.303 202 G HA3 0.067 4.004 3.960 -0.038 0.000 0.303 202 G C -0.708 174.149 174.900 -0.072 0.000 1.318 202 G CA -0.694 44.406 45.100 -0.001 0.000 1.020 202 G HN 0.637 nan 8.290 nan 0.000 0.589 203 N N 1.733 120.571 118.700 0.230 0.000 2.602 203 N HA 0.113 4.830 4.740 -0.038 0.000 0.238 203 N C 0.762 176.190 175.510 -0.137 0.000 1.084 203 N CA -0.481 52.495 53.050 -0.124 0.000 0.952 203 N CB 0.638 39.072 38.487 -0.089 0.000 1.244 203 N HN 0.551 nan 8.380 nan 0.000 0.512 204 Y N -0.683 119.607 120.300 -0.016 0.000 2.716 204 Y HA 0.018 4.547 4.550 -0.036 0.000 0.302 204 Y C 1.612 177.506 175.900 -0.010 0.000 1.160 204 Y CA 0.125 58.197 58.100 -0.047 0.000 1.362 204 Y CB -0.299 38.090 38.460 -0.119 0.000 0.988 204 Y HN 0.169 nan 8.280 nan 0.000 0.546 205 T N -0.750 113.784 114.554 -0.034 0.000 3.044 205 T HA 0.031 4.358 4.350 -0.038 0.000 0.260 205 T C -0.158 174.552 174.700 0.017 0.000 1.019 205 T CA -0.197 61.919 62.100 0.027 0.000 0.921 205 T CB -0.298 68.568 68.868 -0.002 0.000 1.053 205 T HN 0.269 nan 8.240 nan 0.000 0.533 206 D N 1.832 122.247 120.400 0.025 0.000 2.316 206 D HA 0.232 4.849 4.640 -0.038 0.000 0.245 206 D C -1.760 174.582 176.300 0.071 0.000 1.171 206 D CA -2.317 51.709 54.000 0.043 0.000 0.856 206 D CB 1.944 42.775 40.800 0.053 0.000 1.090 206 D HN 0.032 nan 8.370 nan 0.000 0.476 207 P HA -0.185 nan 4.420 nan 0.000 0.218 207 P C 0.910 178.244 177.300 0.057 0.000 1.146 207 P CA 1.330 64.457 63.100 0.044 0.000 0.813 207 P CB 0.190 31.907 31.700 0.028 0.000 0.778 208 E N -1.073 119.173 120.200 0.076 0.000 2.204 208 E HA -0.149 4.178 4.350 -0.038 0.000 0.194 208 E C 1.762 178.423 176.600 0.101 0.000 0.989 208 E CA 0.835 57.289 56.400 0.090 0.000 0.824 208 E CB -1.058 28.711 29.700 0.115 0.000 0.756 208 E HN 0.148 nan 8.360 nan 0.000 0.477 209 L N 1.054 122.354 121.223 0.128 0.000 2.221 209 L HA 0.079 4.396 4.340 -0.038 0.000 0.202 209 L C 2.353 179.259 176.870 0.059 0.000 1.074 209 L CA 2.015 56.909 54.840 0.090 0.000 0.795 209 L CB -0.539 41.596 42.059 0.126 0.000 0.960 209 L HN 0.381 nan 8.230 nan 0.000 0.458 210 T N -2.538 112.055 114.554 0.065 0.000 2.857 210 T HA 0.374 4.701 4.350 -0.038 0.000 0.266 210 T C 1.179 175.900 174.700 0.035 0.000 1.048 210 T CA 0.569 62.697 62.100 0.047 0.000 1.139 210 T CB -0.793 68.106 68.868 0.051 0.000 0.874 210 T HN 0.787 nan 8.240 nan 0.000 0.455 211 G N 1.779 110.601 108.800 0.037 0.000 2.728 211 G HA2 0.009 3.946 3.960 -0.038 0.000 0.294 211 G HA3 0.009 3.946 3.960 -0.038 0.000 0.294 211 G C -2.958 171.957 174.900 0.025 0.000 1.342 211 G CA -0.752 44.366 45.100 0.029 0.000 0.866 211 G HN 0.527 nan 8.290 nan 0.000 0.534 212 P HA 0.427 nan 4.420 nan 0.000 0.267 212 P C 0.189 177.498 177.300 0.015 0.000 1.205 212 P CA -0.505 62.605 63.100 0.016 0.000 0.765 212 P CB 0.484 32.192 31.700 0.013 0.000 0.828 213 L N 3.947 125.179 121.223 0.015 0.000 2.461 213 L HA 0.120 4.437 4.340 -0.038 0.000 0.272 213 L C 1.241 178.116 176.870 0.009 0.000 1.197 213 L CA 0.279 55.127 54.840 0.013 0.000 0.836 213 L CB -0.309 41.758 42.059 0.014 0.000 1.105 213 L HN 0.342 nan 8.230 nan 0.000 0.477 214 R N 0.765 121.269 120.500 0.007 0.000 2.623 214 R HA 0.173 4.490 4.340 -0.038 0.000 0.271 214 R C 0.538 176.841 176.300 0.004 0.000 1.043 214 R CA 0.607 56.710 56.100 0.005 0.000 1.083 214 R CB 0.161 30.463 30.300 0.002 0.000 0.974 214 R HN 0.777 nan 8.270 nan 0.000 0.436 215 T N -3.670 110.886 114.554 0.004 0.000 3.145 215 T HA 0.003 4.330 4.350 -0.038 0.000 0.281 215 T C 1.242 175.943 174.700 0.002 0.000 1.003 215 T CA -0.027 62.075 62.100 0.004 0.000 0.901 215 T CB 0.350 69.220 68.868 0.004 0.000 1.112 215 T HN 0.670 nan 8.240 nan 0.000 0.535 216 T N -0.571 113.984 114.554 0.001 0.000 3.067 216 T HA 0.146 4.473 4.350 -0.038 0.000 0.257 216 T C 0.741 175.441 174.700 -0.001 0.000 1.105 216 T CA -0.086 62.014 62.100 -0.000 0.000 1.104 216 T CB -0.326 68.542 68.868 -0.001 0.000 0.925 216 T HN 0.424 nan 8.240 nan 0.000 0.498 217 Q N 1.791 121.591 119.800 -0.000 0.000 2.296 217 Q HA 0.374 4.691 4.340 -0.038 0.000 0.263 217 Q C -0.783 175.218 176.000 0.001 0.000 1.026 217 Q CA -0.273 55.529 55.803 -0.001 0.000 0.912 217 Q CB 0.824 29.561 28.738 -0.001 0.000 1.198 217 Q HN 0.133 nan 8.270 nan 0.000 0.407 218 K N 3.436 123.836 120.400 0.000 0.000 2.118 218 K HA 0.329 4.626 4.320 -0.038 0.000 0.264 218 K C -2.088 174.514 176.600 0.003 0.000 1.000 218 K CA -1.547 54.741 56.287 0.002 0.000 0.929 218 K CB 0.307 32.807 32.500 0.001 0.000 1.021 218 K HN 0.408 nan 8.250 nan 0.000 0.463 219 P HA 0.211 nan 4.420 nan 0.000 0.272 219 P C -0.740 176.565 177.300 0.008 0.000 1.223 219 P CA -0.079 63.026 63.100 0.007 0.000 0.784 219 P CB 0.634 32.339 31.700 0.009 0.000 0.923 220 I N 1.195 121.772 120.570 0.011 0.000 2.410 220 I HA 0.146 4.293 4.170 -0.038 0.000 0.286 220 I C -0.041 176.087 176.117 0.018 0.000 1.009 220 I CA -0.458 60.850 61.300 0.013 0.000 1.111 220 I CB 1.613 39.621 38.000 0.013 0.000 1.262 220 I HN 0.192 nan 8.210 nan 0.000 0.443 221 S N 7.327 123.039 115.700 0.020 0.000 2.429 221 S HA 0.588 5.035 4.470 -0.038 0.000 0.302 221 S C -0.176 174.443 174.600 0.031 0.000 1.115 221 S CA -0.484 57.731 58.200 0.024 0.000 1.095 221 S CB 1.072 64.284 63.200 0.021 0.000 0.987 221 S HN 0.377 nan 8.310 nan 0.000 0.474 222 I N 3.943 124.536 120.570 0.038 0.000 2.382 222 I HA 0.335 4.482 4.170 -0.038 0.000 0.285 222 I C 0.272 176.420 176.117 0.051 0.000 1.007 222 I CA -0.319 61.012 61.300 0.051 0.000 1.142 222 I CB 1.308 39.347 38.000 0.064 0.000 1.289 222 I HN 0.613 nan 8.210 nan 0.000 0.453 223 T N 1.970 116.554 114.554 0.050 0.000 2.916 223 T HA 0.509 4.836 4.350 -0.038 0.000 0.292 223 T C -0.574 174.158 174.700 0.054 0.000 1.064 223 T CA -0.880 61.249 62.100 0.047 0.000 1.011 223 T CB 2.352 71.242 68.868 0.035 0.000 1.152 223 T HN 0.479 nan 8.240 nan 0.000 0.510 224 Q N 1.493 121.322 119.800 0.049 0.000 2.771 224 Q HA 0.248 4.566 4.340 -0.038 0.000 0.247 224 Q C -1.900 174.118 176.000 0.030 0.000 0.986 224 Q CA -2.009 53.822 55.803 0.048 0.000 0.713 224 Q CB 1.926 30.698 28.738 0.056 0.000 1.241 224 Q HN 0.581 nan 8.270 nan 0.000 0.488 225 P HA -0.199 nan 4.420 nan 0.000 0.218 225 P C 0.157 177.465 177.300 0.013 0.000 1.146 225 P CA 1.387 64.498 63.100 0.020 0.000 0.820 225 P CB 0.486 32.197 31.700 0.019 0.000 0.778 226 E N -0.802 119.406 120.200 0.013 0.000 2.548 226 E HA 0.377 4.705 4.350 -0.038 0.000 0.206 226 E C 0.784 177.379 176.600 -0.008 0.000 1.005 226 E CA -0.009 56.394 56.400 0.004 0.000 0.951 226 E CB 0.399 30.103 29.700 0.007 0.000 1.035 226 E HN 0.207 nan 8.360 nan 0.000 0.470 227 G N 2.728 111.522 108.800 -0.010 0.000 2.757 227 G HA2 -0.185 3.752 3.960 -0.038 0.000 0.638 227 G HA3 -0.185 3.752 3.960 -0.038 0.000 0.638 227 G C -2.793 172.073 174.900 -0.056 0.000 1.344 227 G CA -0.888 44.187 45.100 -0.041 0.000 0.855 227 G HN -0.002 nan 8.290 nan 0.000 0.537 228 P HA 0.403 nan 4.420 nan 0.000 0.276 228 P C 0.549 177.750 177.300 -0.165 0.000 1.252 228 P CA 0.027 63.002 63.100 -0.208 0.000 0.802 228 P CB 1.423 32.703 31.700 -0.700 0.000 1.035 229 S N -0.140 115.603 115.700 0.071 0.000 2.558 229 S HA 0.123 4.570 4.470 -0.038 0.000 0.217 229 S C 0.731 175.501 174.600 0.284 0.000 0.975 229 S CA 0.098 58.403 58.200 0.174 0.000 0.912 229 S CB -0.763 62.592 63.200 0.258 0.000 0.776 229 S HN 0.560 nan 8.310 nan 0.000 0.526 230 F N 2.034 122.194 119.950 0.349 0.000 2.403 230 F HA 0.751 5.255 4.527 -0.038 0.000 0.326 230 F C 0.158 176.054 175.800 0.160 0.000 1.081 230 F CA -1.052 57.133 58.000 0.308 0.000 1.041 230 F CB 0.376 39.523 39.000 0.244 0.000 1.234 230 F HN -0.138 nan 8.300 nan 0.000 0.503 231 T N -0.415 114.324 114.554 0.309 0.000 2.861 231 T HA 0.706 5.033 4.350 -0.038 0.000 0.287 231 T C -1.174 173.681 174.700 0.258 0.000 1.003 231 T CA -0.809 61.400 62.100 0.182 0.000 0.977 231 T CB 1.357 70.307 68.868 0.136 0.000 0.996 231 T HN 0.668 nan 8.240 nan 0.000 0.448 232 V N 3.656 123.696 119.914 0.211 0.000 2.384 232 V HA 0.715 4.813 4.120 -0.038 0.000 0.287 232 V C 0.475 176.666 176.094 0.161 0.000 1.020 232 V CA -0.615 61.805 62.300 0.201 0.000 0.850 232 V CB 1.048 32.991 31.823 0.200 0.000 0.987 232 V HN 1.262 nan 8.190 nan 0.000 0.436 233 T N 0.171 114.837 114.554 0.187 0.000 2.906 233 T HA 0.676 5.003 4.350 -0.038 0.000 0.295 233 T C 0.754 175.543 174.700 0.149 0.000 1.061 233 T CA -0.074 62.117 62.100 0.151 0.000 1.000 233 T CB 1.760 70.711 68.868 0.139 0.000 1.103 233 T HN 1.711 nan 8.240 nan 0.000 0.486 234 G N 0.021 108.879 108.800 0.097 0.000 2.225 234 G HA2 0.115 4.053 3.960 -0.038 0.000 0.267 234 G HA3 0.115 4.053 3.960 -0.038 0.000 0.267 234 G C 1.335 176.293 174.900 0.096 0.000 1.024 234 G CA 0.963 46.114 45.100 0.085 0.000 0.784 234 G HN 2.405 nan 8.290 nan 0.000 0.507 235 G N -0.072 108.784 108.800 0.095 0.000 2.609 235 G HA2 -0.303 3.635 3.960 -0.038 0.000 0.235 235 G HA3 -0.303 3.635 3.960 -0.038 0.000 0.235 235 G C 0.928 175.887 174.900 0.098 0.000 1.177 235 G CA 1.282 46.435 45.100 0.088 0.000 0.707 235 G HN 2.206 nan 8.290 nan 0.000 0.513 236 N N -0.321 118.450 118.700 0.118 0.000 2.232 236 N HA 0.124 4.841 4.740 -0.038 0.000 0.240 236 N C -0.251 175.331 175.510 0.120 0.000 1.307 236 N CA 0.076 53.190 53.050 0.106 0.000 0.859 236 N CB -0.333 38.213 38.487 0.099 0.000 1.260 236 N HN 0.601 nan 8.380 nan 0.000 0.501 237 H N 1.510 120.623 119.070 0.072 0.000 2.604 237 H HA 0.312 4.845 4.556 -0.038 0.000 0.306 237 H C -0.761 174.619 175.328 0.086 0.000 1.075 237 H CA -0.294 55.795 56.048 0.067 0.000 1.357 237 H CB 0.995 30.797 29.762 0.066 0.000 1.426 237 H HN -0.028 nan 8.280 nan 0.000 0.470 238 I N 4.746 125.081 120.570 -0.392 0.000 2.412 238 I HA 0.214 4.362 4.170 -0.038 0.000 0.296 238 I C 0.175 176.188 176.117 -0.173 0.000 0.987 238 I CA -0.559 60.643 61.300 -0.163 0.000 1.180 238 I CB 1.592 39.506 38.000 -0.144 0.000 1.340 238 I HN 0.563 nan 8.210 nan 0.000 0.455 239 E N 5.522 125.784 120.200 0.104 0.000 2.216 239 E HA 0.313 4.640 4.350 -0.038 0.000 0.260 239 E C -1.731 175.076 176.600 0.345 0.000 0.880 239 E CA -0.459 56.051 56.400 0.184 0.000 0.765 239 E CB 2.823 32.640 29.700 0.196 0.000 1.174 239 E HN 0.625 nan 8.360 nan 0.000 0.417 240 W N 3.765 125.144 121.300 0.131 0.000 3.326 240 W HA 0.136 4.774 4.660 -0.037 0.000 0.333 240 W C -0.476 176.151 176.519 0.179 0.000 1.108 240 W CA -0.418 57.030 57.345 0.173 0.000 1.245 240 W CB 0.925 30.492 29.460 0.178 0.000 1.331 240 W HN 0.323 nan 8.180 nan 0.000 0.464 241 E N 5.750 125.630 120.200 -0.534 0.000 2.165 241 E HA -0.324 4.003 4.350 -0.038 0.000 0.203 241 E C 0.537 176.853 176.600 -0.474 0.000 1.335 241 E CA 1.879 57.879 56.400 -0.667 0.000 0.708 241 E CB -1.097 27.780 29.700 -1.371 0.000 1.105 241 E HN 0.900 nan 8.360 nan 0.000 0.346 242 K N -3.936 116.219 120.400 -0.408 0.000 3.609 242 K HA -0.245 4.053 4.320 -0.038 0.000 0.277 242 K C 0.172 176.362 176.600 -0.683 0.000 1.196 242 K CA 1.743 57.624 56.287 -0.676 0.000 1.022 242 K CB -1.399 30.383 32.500 -1.197 0.000 1.292 242 K HN 0.265 nan 8.250 nan 0.000 0.484 243 W N 1.647 122.770 121.300 -0.296 0.000 2.237 243 W HA 0.450 5.087 4.660 -0.037 0.000 0.335 243 W C 0.649 177.159 176.519 -0.014 0.000 1.230 243 W CA -0.119 57.192 57.345 -0.057 0.000 1.253 243 W CB 1.453 31.026 29.460 0.187 0.000 1.129 243 W HN 0.011 nan 8.180 nan 0.000 0.590 244 S N 3.825 119.695 115.700 0.283 0.000 2.572 244 S HA 0.812 5.259 4.470 -0.038 0.000 0.274 244 S C -1.174 173.443 174.600 0.028 0.000 1.150 244 S CA -0.744 57.517 58.200 0.101 0.000 0.944 244 S CB 0.132 63.423 63.200 0.153 0.000 1.071 244 S HN 0.585 nan 8.310 nan 0.000 0.479 245 L N 1.001 122.102 121.223 -0.203 0.000 2.940 245 L HA 0.769 5.086 4.340 -0.038 0.000 0.270 245 L C -2.063 174.661 176.870 -0.244 0.000 1.030 245 L CA -1.061 53.676 54.840 -0.170 0.000 0.928 245 L CB 1.718 43.687 42.059 -0.149 0.000 1.506 245 L HN 0.410 nan 8.230 nan 0.000 0.405 246 D N 1.408 121.748 120.400 -0.101 0.000 2.502 246 D HA 0.449 5.066 4.640 -0.038 0.000 0.249 246 D C -0.828 175.496 176.300 0.039 0.000 1.092 246 D CA -0.270 53.741 54.000 0.018 0.000 0.839 246 D CB 3.218 44.080 40.800 0.104 0.000 1.264 246 D HN 0.359 nan 8.370 nan 0.000 0.511 247 V N 2.326 122.255 119.914 0.025 0.000 2.339 247 V HA 0.435 4.532 4.120 -0.038 0.000 0.261 247 V C 1.020 177.180 176.094 0.109 0.000 1.058 247 V CA -0.377 61.926 62.300 0.006 0.000 0.897 247 V CB 0.957 32.761 31.823 -0.032 0.000 1.052 247 V HN 0.583 nan 8.190 nan 0.000 0.480 248 G N 3.131 112.030 108.800 0.165 0.000 2.511 248 G HA2 0.682 4.619 3.960 -0.038 0.000 0.316 248 G HA3 0.682 4.619 3.960 -0.038 0.000 0.316 248 G C -1.434 173.557 174.900 0.152 0.000 1.210 248 G CA -0.451 44.784 45.100 0.225 0.000 0.969 248 G HN 0.497 nan 8.290 nan 0.000 0.492 249 F N -0.107 119.824 119.950 -0.031 0.000 2.588 249 F HA 0.483 4.987 4.527 -0.038 0.000 0.318 249 F C -1.437 174.308 175.800 -0.093 0.000 1.155 249 F CA -0.894 57.036 58.000 -0.117 0.000 0.967 249 F CB 2.488 41.404 39.000 -0.139 0.000 1.236 249 F HN 0.533 nan 8.300 nan 0.000 0.455 250 D N 3.819 123.868 120.400 -0.585 0.000 2.619 250 D HA 0.312 4.929 4.640 -0.038 0.000 0.241 250 D C 0.217 176.219 176.300 -0.498 0.000 1.087 250 D CA -0.568 53.238 54.000 -0.324 0.000 0.851 250 D CB 2.468 43.178 40.800 -0.149 0.000 1.474 250 D HN 0.370 nan 8.370 nan 0.000 0.478 251 V N 4.195 123.989 119.914 -0.200 0.000 2.490 251 V HA -0.142 3.955 4.120 -0.038 0.000 0.250 251 V C 2.085 178.122 176.094 -0.095 0.000 1.061 251 V CA 2.141 64.362 62.300 -0.133 0.000 1.064 251 V CB -0.378 31.383 31.823 -0.103 0.000 0.670 251 V HN 0.630 nan 8.190 nan 0.000 0.461 252 R N -0.556 119.955 120.500 0.019 0.000 2.057 252 R HA -0.046 4.271 4.340 -0.038 0.000 0.224 252 R C 2.207 178.454 176.300 -0.089 0.000 1.136 252 R CA 1.637 57.732 56.100 -0.009 0.000 0.968 252 R CB -0.162 30.100 30.300 -0.064 0.000 0.863 252 R HN 0.589 nan 8.270 nan 0.000 0.433 253 E N -0.627 119.499 120.200 -0.124 0.000 2.318 253 E HA 0.131 4.459 4.350 -0.038 0.000 0.193 253 E C 0.745 177.162 176.600 -0.304 0.000 0.998 253 E CA 0.382 56.707 56.400 -0.125 0.000 0.859 253 E CB 0.534 30.208 29.700 -0.043 0.000 0.812 253 E HN 0.559 nan 8.360 nan 0.000 0.492 254 G N 0.806 109.185 108.800 -0.702 0.000 2.488 254 G HA2 -0.290 3.647 3.960 -0.038 0.000 0.237 254 G HA3 -0.290 3.647 3.960 -0.038 0.000 0.237 254 G C -0.141 174.047 174.900 -1.187 0.000 1.209 254 G CA -0.348 43.942 45.100 -1.350 0.000 0.929 254 G HN 0.099 nan 8.290 nan 0.000 0.578 255 V N 0.791 120.185 119.914 -0.867 0.000 2.529 255 V HA 0.423 4.520 4.120 -0.038 0.000 0.292 255 V C 0.765 176.764 176.094 -0.158 0.000 1.028 255 V CA 0.188 62.348 62.300 -0.234 0.000 1.074 255 V CB 0.935 32.828 31.823 0.117 0.000 0.958 255 V HN 0.880 nan 8.190 nan 0.000 0.481 256 V N 6.731 126.502 119.914 -0.237 0.000 2.656 256 V HA 0.478 4.575 4.120 -0.038 0.000 0.307 256 V C -0.211 175.554 176.094 -0.548 0.000 1.051 256 V CA -0.648 61.421 62.300 -0.386 0.000 0.893 256 V CB 1.977 33.594 31.823 -0.343 0.000 0.999 256 V HN 0.609 nan 8.190 nan 0.000 0.426 257 L N 4.979 125.758 121.223 -0.740 0.000 2.295 257 L HA 0.636 4.953 4.340 -0.038 0.000 0.285 257 L C -0.475 175.982 176.870 -0.688 0.000 1.035 257 L CA -0.568 53.872 54.840 -0.666 0.000 0.806 257 L CB 1.090 42.688 42.059 -0.768 0.000 1.214 257 L HN 0.621 nan 8.230 nan 0.000 0.426 258 H N 3.509 122.425 119.070 -0.256 0.000 2.622 258 H HA 0.282 4.816 4.556 -0.038 0.000 0.363 258 H C -0.256 174.878 175.328 -0.324 0.000 1.151 258 H CA -0.770 55.109 56.048 -0.282 0.000 1.184 258 H CB 1.895 31.471 29.762 -0.309 0.000 1.643 258 H HN 0.556 nan 8.280 nan 0.000 0.531 259 N N 1.332 119.905 118.700 -0.212 0.000 2.714 259 N HA -0.195 4.522 4.740 -0.038 0.000 0.253 259 N C -0.380 175.069 175.510 -0.103 0.000 1.024 259 N CA 0.489 53.419 53.050 -0.199 0.000 0.726 259 N CB -1.333 36.980 38.487 -0.291 0.000 0.908 259 N HN 0.548 nan 8.380 nan 0.000 0.542 260 I N 0.510 121.023 120.570 -0.094 0.000 2.505 260 I HA 0.264 4.411 4.170 -0.038 0.000 0.287 260 I C 1.011 177.185 176.117 0.095 0.000 1.104 260 I CA 0.158 61.466 61.300 0.013 0.000 1.387 260 I CB 0.535 38.518 38.000 -0.028 0.000 1.404 260 I HN 0.338 nan 8.210 nan 0.000 0.528 261 A N 6.869 129.811 122.820 0.202 0.000 2.527 261 A HA 0.808 5.105 4.320 -0.038 0.000 0.293 261 A C -1.540 176.193 177.584 0.247 0.000 1.117 261 A CA -0.448 51.696 52.037 0.178 0.000 0.723 261 A CB 1.568 20.627 19.000 0.100 0.000 1.313 261 A HN 0.516 nan 8.150 nan 0.000 0.411 262 F N 0.449 120.399 119.950 0.001 0.000 2.539 262 F HA 0.563 5.067 4.527 -0.038 0.000 0.318 262 F C 0.343 176.160 175.800 0.028 0.000 1.135 262 F CA -0.408 57.527 58.000 -0.108 0.000 0.915 262 F CB 1.765 40.628 39.000 -0.228 0.000 1.176 262 F HN 0.603 nan 8.300 nan 0.000 0.440 263 R N 4.069 124.492 120.500 -0.129 0.000 2.325 263 R HA 0.100 4.417 4.340 -0.038 0.000 0.323 263 R C -0.910 175.471 176.300 0.136 0.000 1.177 263 R CA -0.190 55.911 56.100 0.002 0.000 1.018 263 R CB -0.182 30.066 30.300 -0.086 0.000 1.070 263 R HN 0.538 nan 8.270 nan 0.000 0.495 264 D N 3.829 124.417 120.400 0.314 0.000 2.483 264 D HA 0.183 4.800 4.640 -0.038 0.000 0.220 264 D C 1.075 177.474 176.300 0.165 0.000 1.173 264 D CA 0.964 55.178 54.000 0.357 0.000 0.964 264 D CB 0.551 41.581 40.800 0.382 0.000 1.046 264 D HN 0.750 nan 8.370 nan 0.000 0.517 265 G N 4.964 113.832 108.800 0.114 0.000 3.181 265 G HA2 -0.418 3.519 3.960 -0.038 0.000 0.322 265 G HA3 -0.418 3.519 3.960 -0.038 0.000 0.322 265 G C 0.941 175.864 174.900 0.040 0.000 1.246 265 G CA 0.722 45.858 45.100 0.060 0.000 0.989 265 G HN 0.579 nan 8.290 nan 0.000 0.607 266 D N 1.702 122.124 120.400 0.036 0.000 2.240 266 D HA 0.081 4.699 4.640 -0.038 0.000 0.206 266 D C 1.342 177.658 176.300 0.026 0.000 0.963 266 D CA 0.704 54.719 54.000 0.024 0.000 0.863 266 D CB 0.058 40.867 40.800 0.016 0.000 0.973 266 D HN 0.620 nan 8.370 nan 0.000 0.501 267 R N 0.193 120.715 120.500 0.036 0.000 2.486 267 R HA 0.514 4.831 4.340 -0.038 0.000 0.286 267 R C -0.633 175.703 176.300 0.060 0.000 0.999 267 R CA -0.884 55.237 56.100 0.036 0.000 0.993 267 R CB 1.501 31.812 30.300 0.018 0.000 1.084 267 R HN -0.001 nan 8.270 nan 0.000 0.487 268 L N 2.754 124.008 121.223 0.050 0.000 2.270 268 L HA 0.328 4.645 4.340 -0.038 0.000 0.286 268 L C -0.660 176.254 176.870 0.074 0.000 1.059 268 L CA -0.095 54.785 54.840 0.066 0.000 0.839 268 L CB 0.355 42.443 42.059 0.049 0.000 1.221 268 L HN 0.473 nan 8.230 nan 0.000 0.431 269 R N 6.989 127.568 120.500 0.132 0.000 2.207 269 R HA 0.424 4.741 4.340 -0.038 0.000 0.334 269 R C -2.311 174.084 176.300 0.158 0.000 1.013 269 R CA -1.757 54.431 56.100 0.147 0.000 0.858 269 R CB 0.541 30.963 30.300 0.204 0.000 1.094 269 R HN 0.489 nan 8.270 nan 0.000 0.457 270 P HA 0.060 nan 4.420 nan 0.000 0.272 270 P C -0.100 177.176 177.300 -0.039 0.000 1.223 270 P CA 0.113 63.196 63.100 -0.029 0.000 0.784 270 P CB 1.202 32.809 31.700 -0.154 0.000 0.923 271 I N 0.846 121.335 120.570 -0.135 0.000 3.746 271 I HA 0.235 4.382 4.170 -0.038 0.000 0.262 271 I C 0.683 176.642 176.117 -0.262 0.000 1.153 271 I CA 0.230 61.349 61.300 -0.302 0.000 1.395 271 I CB 0.354 38.054 38.000 -0.499 0.000 1.589 271 I HN 0.133 nan 8.210 nan 0.000 0.441 272 I N 1.351 121.803 120.570 -0.197 0.000 2.466 272 I HA 0.175 4.323 4.170 -0.038 0.000 0.289 272 I C 0.677 176.697 176.117 -0.161 0.000 1.026 272 I CA -0.217 60.980 61.300 -0.172 0.000 1.078 272 I CB 2.032 39.941 38.000 -0.153 0.000 1.249 272 I HN 0.118 nan 8.210 nan 0.000 0.429 273 N N 5.337 123.954 118.700 -0.138 0.000 2.171 273 N HA 0.017 4.734 4.740 -0.038 0.000 0.184 273 N C 0.544 176.001 175.510 -0.088 0.000 1.021 273 N CA 0.983 53.983 53.050 -0.083 0.000 0.854 273 N CB 0.514 39.046 38.487 0.076 0.000 0.994 273 N HN 0.532 nan 8.380 nan 0.000 0.426 274 R N -0.161 120.262 120.500 -0.128 0.000 2.535 274 R HA 0.465 4.782 4.340 -0.038 0.000 0.274 274 R C -2.094 174.043 176.300 -0.271 0.000 1.090 274 R CA -0.498 55.479 56.100 -0.206 0.000 0.930 274 R CB 1.863 32.099 30.300 -0.107 0.000 1.223 274 R HN 0.054 nan 8.270 nan 0.000 0.441 275 A N 2.280 124.854 122.820 -0.410 0.000 2.343 275 A HA 0.724 5.021 4.320 -0.038 0.000 0.308 275 A C -1.015 176.295 177.584 -0.457 0.000 1.092 275 A CA -0.440 51.341 52.037 -0.427 0.000 0.751 275 A CB 1.527 20.130 19.000 -0.662 0.000 1.203 275 A HN 0.802 nan 8.150 nan 0.000 0.452 276 S N 1.407 117.025 115.700 -0.137 0.000 2.588 276 S HA 0.682 5.129 4.470 -0.038 0.000 0.269 276 S C -1.129 173.588 174.600 0.195 0.000 1.157 276 S CA -0.717 57.494 58.200 0.019 0.000 0.824 276 S CB 0.947 64.100 63.200 -0.077 0.000 1.126 276 S HN 0.537 nan 8.310 nan 0.000 0.464 277 I N 2.248 122.966 120.570 0.245 0.000 2.287 277 I HA 0.398 4.545 4.170 -0.038 0.000 0.290 277 I C 1.304 177.526 176.117 0.175 0.000 1.069 277 I CA -0.522 60.913 61.300 0.224 0.000 1.237 277 I CB 0.325 38.556 38.000 0.384 0.000 1.418 277 I HN 0.994 nan 8.210 nan 0.000 0.481 278 A N 5.150 128.045 122.820 0.125 0.000 2.208 278 A HA 0.115 4.413 4.320 -0.038 0.000 0.209 278 A C 0.719 178.356 177.584 0.087 0.000 1.161 278 A CA 0.848 52.978 52.037 0.156 0.000 0.782 278 A CB 0.059 19.172 19.000 0.190 0.000 0.816 278 A HN 0.670 nan 8.150 nan 0.000 0.477 279 E N -2.009 118.180 120.200 -0.020 0.000 2.392 279 E HA 0.556 4.883 4.350 -0.038 0.000 0.281 279 E C -1.402 175.153 176.600 -0.075 0.000 1.088 279 E CA -0.317 56.022 56.400 -0.103 0.000 0.850 279 E CB 0.778 30.242 29.700 -0.394 0.000 1.267 279 E HN 0.122 nan 8.360 nan 0.000 0.438 280 M N 3.505 123.073 119.600 -0.053 0.000 2.265 280 M HA 0.388 4.845 4.480 -0.038 0.000 0.251 280 M C -1.757 174.415 176.300 -0.213 0.000 1.005 280 M CA -0.667 54.480 55.300 -0.255 0.000 0.998 280 M CB 1.241 33.639 32.600 -0.336 0.000 2.070 280 M HN 0.394 nan 8.290 nan 0.000 0.476 281 V N 3.076 122.817 119.914 -0.290 0.000 2.769 281 V HA 0.728 4.826 4.120 -0.038 0.000 0.312 281 V C -0.336 175.506 176.094 -0.420 0.000 1.058 281 V CA -0.801 61.225 62.300 -0.457 0.000 0.952 281 V CB 1.765 33.197 31.823 -0.651 0.000 1.019 281 V HN 0.590 nan 8.190 nan 0.000 0.445 282 V N 4.059 123.745 119.914 -0.381 0.000 2.383 282 V HA 0.333 4.431 4.120 -0.038 0.000 0.264 282 V C -2.439 173.397 176.094 -0.430 0.000 1.001 282 V CA -1.184 60.875 62.300 -0.401 0.000 0.828 282 V CB 1.292 32.973 31.823 -0.237 0.000 1.069 282 V HN 0.798 nan 8.190 nan 0.000 0.451 283 P HA 0.328 nan 4.420 nan 0.000 0.280 283 P C -1.295 175.769 177.300 -0.393 0.000 1.244 283 P CA -0.231 62.667 63.100 -0.338 0.000 0.784 283 P CB 1.071 32.598 31.700 -0.287 0.000 0.913 284 Y N 0.559 120.695 120.300 -0.274 0.000 2.361 284 Y HA 0.471 4.999 4.550 -0.036 0.000 0.332 284 Y C 1.700 177.525 175.900 -0.124 0.000 1.101 284 Y CA 0.156 58.143 58.100 -0.189 0.000 1.137 284 Y CB 1.505 39.781 38.460 -0.306 0.000 1.207 284 Y HN 0.471 nan 8.280 nan 0.000 0.463 285 G N 1.283 110.121 108.800 0.063 0.000 3.707 285 G HA2 0.007 3.945 3.960 -0.038 0.000 0.286 285 G HA3 0.007 3.945 3.960 -0.038 0.000 0.286 285 G C -0.696 174.240 174.900 0.060 0.000 1.112 285 G CA -0.179 44.961 45.100 0.066 0.000 0.861 285 G HN 0.503 nan 8.290 nan 0.000 0.534 286 D N 1.194 121.610 120.400 0.027 0.000 2.317 286 D HA 0.251 4.868 4.640 -0.038 0.000 0.234 286 D C -1.222 175.047 176.300 -0.052 0.000 1.112 286 D CA -2.371 51.609 54.000 -0.032 0.000 0.840 286 D CB 2.324 43.100 40.800 -0.041 0.000 1.078 286 D HN 0.044 nan 8.370 nan 0.000 0.486 287 P HA -0.020 nan 4.420 nan 0.000 0.242 287 P C 0.338 177.622 177.300 -0.026 0.000 1.197 287 P CA -0.059 63.025 63.100 -0.027 0.000 0.765 287 P CB 0.173 31.869 31.700 -0.006 0.000 0.936 288 S N 1.554 117.230 115.700 -0.039 0.000 2.549 288 S HA 0.138 4.585 4.470 -0.038 0.000 0.283 288 S C -1.381 173.220 174.600 0.002 0.000 1.320 288 S CA -1.033 57.158 58.200 -0.015 0.000 1.058 288 S CB 0.401 63.575 63.200 -0.043 0.000 0.882 288 S HN -0.079 nan 8.310 nan 0.000 0.498 289 P HA -0.070 nan 4.420 nan 0.000 0.221 289 P C 1.169 178.622 177.300 0.254 0.000 1.145 289 P CA 0.592 63.778 63.100 0.144 0.000 0.795 289 P CB 0.040 31.830 31.700 0.150 0.000 0.775 290 I N -0.960 119.716 120.570 0.178 0.000 2.493 290 I HA -0.127 4.020 4.170 -0.038 0.000 0.254 290 I C 1.783 178.058 176.117 0.263 0.000 1.160 290 I CA 1.601 63.053 61.300 0.253 0.000 1.445 290 I CB -0.894 37.160 38.000 0.090 0.000 1.086 290 I HN 0.045 nan 8.210 nan 0.000 0.433 291 R N -0.709 119.725 120.500 -0.110 0.000 2.544 291 R HA 0.092 4.409 4.340 -0.038 0.000 0.303 291 R C 1.937 177.742 176.300 -0.825 0.000 0.939 291 R CA 0.515 56.242 56.100 -0.623 0.000 1.102 291 R CB 0.308 30.375 30.300 -0.388 0.000 1.440 291 R HN 0.274 nan 8.270 nan 0.000 0.532 292 S N 0.762 116.192 115.700 -0.451 0.000 2.500 292 S HA -0.114 4.333 4.470 -0.038 0.000 0.239 292 S C 1.383 175.727 174.600 -0.428 0.000 0.989 292 S CA 0.462 58.466 58.200 -0.327 0.000 0.951 292 S CB -0.380 62.733 63.200 -0.145 0.000 0.759 292 S HN 0.600 nan 8.310 nan 0.000 0.523 293 W N 0.560 121.634 121.300 -0.376 0.000 3.114 293 W HA 0.376 5.011 4.660 -0.042 0.000 0.279 293 W C 0.553 177.019 176.519 -0.088 0.000 1.277 293 W CA -0.601 56.364 57.345 -0.635 0.000 1.630 293 W CB -0.667 28.392 29.460 -0.667 0.000 1.087 293 W HN 0.288 nan 8.180 nan 0.000 0.637 294 Q N 2.995 122.239 119.800 -0.927 0.000 2.263 294 Q HA 0.077 4.394 4.340 -0.038 0.000 0.270 294 Q C -0.752 174.930 176.000 -0.530 0.000 1.104 294 Q CA 0.785 56.012 55.803 -0.959 0.000 0.909 294 Q CB 0.045 27.929 28.738 -1.425 0.000 1.214 294 Q HN 0.035 nan 8.270 nan 0.000 0.400 295 N N 4.838 123.263 118.700 -0.459 0.000 2.599 295 N HA 0.114 4.832 4.740 -0.038 0.000 0.283 295 N C -1.938 173.453 175.510 -0.198 0.000 1.160 295 N CA -0.426 52.444 53.050 -0.300 0.000 0.869 295 N CB 1.010 39.493 38.487 -0.007 0.000 1.448 295 N HN 0.409 nan 8.380 nan 0.000 0.535 296 Y N 1.192 121.542 120.300 0.083 0.000 2.367 296 Y HA 0.409 4.935 4.550 -0.039 0.000 0.342 296 Y C 0.131 176.110 175.900 0.131 0.000 0.979 296 Y CA -0.841 57.392 58.100 0.223 0.000 1.161 296 Y CB 0.286 38.813 38.460 0.111 0.000 1.155 296 Y HN 0.320 nan 8.280 nan 0.000 0.503 297 F N 3.421 123.600 119.950 0.383 0.000 2.451 297 F HA 0.202 4.706 4.527 -0.039 0.000 0.356 297 F C 0.998 176.997 175.800 0.332 0.000 1.178 297 F CA -0.692 57.452 58.000 0.240 0.000 1.210 297 F CB 0.072 39.166 39.000 0.158 0.000 1.504 297 F HN 0.490 nan 8.300 nan 0.000 0.598 298 D N 0.450 121.063 120.400 0.355 0.000 2.158 298 D HA -0.164 4.453 4.640 -0.038 0.000 0.197 298 D C 2.085 178.585 176.300 0.332 0.000 0.995 298 D CA 1.729 55.926 54.000 0.329 0.000 0.846 298 D CB -0.125 40.758 40.800 0.139 0.000 0.941 298 D HN 0.369 nan 8.370 nan 0.000 0.456 299 T N -0.680 114.005 114.554 0.219 0.000 2.814 299 T HA 0.038 4.366 4.350 -0.038 0.000 0.254 299 T C 1.990 176.742 174.700 0.086 0.000 1.037 299 T CA 1.241 63.424 62.100 0.138 0.000 1.143 299 T CB -0.551 68.365 68.868 0.080 0.000 0.866 299 T HN 0.243 nan 8.240 nan 0.000 0.431 300 G N 1.067 109.927 108.800 0.099 0.000 2.402 300 G HA2 -0.119 3.818 3.960 -0.038 0.000 0.216 300 G HA3 -0.119 3.818 3.960 -0.038 0.000 0.216 300 G C 1.453 176.347 174.900 -0.011 0.000 1.162 300 G CA 0.552 45.628 45.100 -0.040 0.000 0.777 300 G HN 0.486 nan 8.290 nan 0.000 0.539 301 E N -1.045 119.230 120.200 0.124 0.000 2.166 301 E HA 0.082 4.409 4.350 -0.038 0.000 0.192 301 E C 1.919 178.484 176.600 -0.059 0.000 0.967 301 E CA 0.403 56.805 56.400 0.004 0.000 0.840 301 E CB 0.049 29.752 29.700 0.005 0.000 0.795 301 E HN 0.570 nan 8.360 nan 0.000 0.470 302 Y N 0.043 120.498 120.300 0.259 0.000 2.503 302 Y HA 0.266 4.793 4.550 -0.038 0.000 0.277 302 Y C 0.058 176.179 175.900 0.368 0.000 1.102 302 Y CA 0.014 58.337 58.100 0.373 0.000 1.261 302 Y CB 0.481 39.171 38.460 0.384 0.000 1.096 302 Y HN -0.159 nan 8.280 nan 0.000 0.546 303 L N 0.773 122.203 121.223 0.345 0.000 2.648 303 L HA -0.195 4.122 4.340 -0.038 0.000 0.643 303 L C 1.069 178.058 176.870 0.199 0.000 1.007 303 L CA 0.029 54.979 54.840 0.184 0.000 1.346 303 L CB -1.418 40.705 42.059 0.107 0.000 1.929 303 L HN 0.170 nan 8.230 nan 0.000 0.915 304 V N 0.183 120.204 119.914 0.179 0.000 2.490 304 V HA -0.095 4.002 4.120 -0.038 0.000 0.250 304 V C 2.135 178.323 176.094 0.156 0.000 1.061 304 V CA 2.209 64.637 62.300 0.214 0.000 1.064 304 V CB -0.435 31.470 31.823 0.136 0.000 0.670 304 V HN 0.878 nan 8.190 nan 0.000 0.461 305 G N -0.541 108.226 108.800 -0.056 0.000 2.432 305 G HA2 -0.307 3.630 3.960 -0.038 0.000 0.219 305 G HA3 -0.307 3.630 3.960 -0.038 0.000 0.219 305 G C 1.559 176.532 174.900 0.122 0.000 1.135 305 G CA 0.907 45.932 45.100 -0.125 0.000 0.767 305 G HN 0.654 nan 8.290 nan 0.000 0.550 306 Q N -0.677 119.078 119.800 -0.075 0.000 2.135 306 Q HA -0.158 4.159 4.340 -0.038 0.000 0.204 306 Q C 1.278 177.080 176.000 -0.330 0.000 0.981 306 Q CA 1.260 56.895 55.803 -0.280 0.000 0.856 306 Q CB -0.187 28.206 28.738 -0.575 0.000 0.902 306 Q HN 0.601 nan 8.270 nan 0.000 0.425 307 Y N -0.225 120.225 120.300 0.250 0.000 2.532 307 Y HA 0.430 4.958 4.550 -0.036 0.000 0.283 307 Y C 0.395 176.463 175.900 0.280 0.000 1.181 307 Y CA -0.325 57.927 58.100 0.254 0.000 1.256 307 Y CB -0.307 38.309 38.460 0.260 0.000 1.112 307 Y HN 0.088 nan 8.280 nan 0.000 0.521 308 A N 1.030 124.081 122.820 0.385 0.000 2.540 308 A HA 0.106 4.403 4.320 -0.038 0.000 0.239 308 A C 0.317 178.090 177.584 0.314 0.000 1.061 308 A CA -0.337 51.962 52.037 0.437 0.000 0.758 308 A CB -0.056 19.215 19.000 0.452 0.000 0.991 308 A HN 0.334 nan 8.150 nan 0.000 0.502 309 N N 0.979 119.873 118.700 0.323 0.000 2.467 309 N HA 0.253 4.970 4.740 -0.038 0.000 0.262 309 N C -0.375 175.233 175.510 0.163 0.000 1.234 309 N CA -0.064 53.122 53.050 0.225 0.000 0.952 309 N CB 0.832 39.447 38.487 0.214 0.000 1.158 309 N HN 0.493 nan 8.380 nan 0.000 0.463 310 S N 1.005 116.762 115.700 0.095 0.000 2.411 310 S HA 0.316 4.763 4.470 -0.038 0.000 0.294 310 S C 0.263 174.882 174.600 0.031 0.000 1.115 310 S CA -0.640 57.579 58.200 0.033 0.000 1.071 310 S CB -0.122 63.075 63.200 -0.005 0.000 0.967 310 S HN 0.234 nan 8.310 nan 0.000 0.488 311 L N 3.757 125.011 121.223 0.052 0.000 2.360 311 L HA 0.303 4.621 4.340 -0.038 0.000 0.276 311 L C 0.486 177.367 176.870 0.019 0.000 1.121 311 L CA -0.554 54.343 54.840 0.095 0.000 0.845 311 L CB 0.305 42.521 42.059 0.261 0.000 1.143 311 L HN 0.407 nan 8.230 nan 0.000 0.452 312 E N 3.116 123.335 120.200 0.032 0.000 2.259 312 E HA 0.214 4.542 4.350 -0.038 0.000 0.281 312 E C -0.407 176.246 176.600 0.090 0.000 1.027 312 E CA -0.881 55.529 56.400 0.018 0.000 0.838 312 E CB 1.785 31.489 29.700 0.006 0.000 1.066 312 E HN 0.258 nan 8.360 nan 0.000 0.401 313 L N 2.001 123.286 121.223 0.104 0.000 2.455 313 L HA 0.248 4.565 4.340 -0.038 0.000 0.272 313 L C 1.367 178.287 176.870 0.082 0.000 1.174 313 L CA 1.744 56.680 54.840 0.160 0.000 0.869 313 L CB 0.185 42.346 42.059 0.171 0.000 1.130 313 L HN 0.790 nan 8.230 nan 0.000 0.474 314 G N 2.170 111.009 108.800 0.066 0.000 2.284 314 G HA2 -0.339 3.598 3.960 -0.038 0.000 0.247 314 G HA3 -0.339 3.598 3.960 -0.038 0.000 0.247 314 G C 0.905 175.822 174.900 0.028 0.000 1.012 314 G CA 0.436 45.558 45.100 0.038 0.000 0.618 314 G HN 0.767 nan 8.290 nan 0.000 0.521 315 C N -0.288 119.031 119.300 0.032 0.000 2.480 315 C HA 0.312 4.749 4.460 -0.038 0.000 0.304 315 C C 2.228 177.225 174.990 0.011 0.000 1.399 315 C CA 1.337 60.363 59.018 0.014 0.000 1.900 315 C CB -0.434 27.308 27.740 0.004 0.000 2.194 315 C HN 0.529 nan 8.230 nan 0.000 0.550 316 D N -0.320 120.099 120.400 0.032 0.000 2.262 316 D HA 0.071 4.689 4.640 -0.038 0.000 0.212 316 D C 0.122 176.471 176.300 0.081 0.000 0.964 316 D CA 1.010 55.038 54.000 0.045 0.000 0.875 316 D CB 0.211 41.049 40.800 0.063 0.000 0.996 316 D HN 0.384 nan 8.370 nan 0.000 0.497 317 c N 1.901 120.537 118.600 0.060 0.000 2.383 317 c HA 0.472 5.019 4.570 -0.038 0.000 0.330 317 c C -0.334 173.704 174.090 -0.087 0.000 1.168 317 c CA -1.094 55.203 56.329 -0.054 0.000 1.374 317 c CB 0.665 43.106 42.510 -0.116 0.000 2.014 317 c HN 0.158 nan 8.230 nan 0.000 0.439 318 L N 4.098 125.263 121.223 -0.098 0.000 2.325 318 L HA 0.949 5.266 4.340 -0.038 0.000 0.279 318 L C 0.589 177.419 176.870 -0.067 0.000 1.054 318 L CA 1.865 56.677 54.840 -0.047 0.000 0.804 318 L CB 0.953 43.016 42.059 0.005 0.000 1.200 318 L HN 1.078 nan 8.230 nan 0.000 0.436 319 G N 3.289 112.081 108.800 -0.014 0.000 2.416 319 G HA2 -0.161 3.776 3.960 -0.038 0.000 0.203 319 G HA3 -0.161 3.776 3.960 -0.038 0.000 0.203 319 G C -1.008 173.904 174.900 0.019 0.000 1.227 319 G CA -0.180 44.934 45.100 0.024 0.000 1.041 319 G HN 0.748 nan 8.290 nan 0.000 0.546 320 D N 1.486 121.923 120.400 0.062 0.000 2.441 320 D HA 0.428 5.045 4.640 -0.038 0.000 0.221 320 D C 0.344 176.693 176.300 0.081 0.000 1.156 320 D CA -0.204 53.835 54.000 0.066 0.000 0.896 320 D CB 0.032 40.878 40.800 0.076 0.000 1.028 320 D HN 0.379 nan 8.370 nan 0.000 0.509 321 I N 2.346 122.909 120.570 -0.013 0.000 2.437 321 I HA 0.228 4.375 4.170 -0.038 0.000 0.298 321 I C 0.672 176.733 176.117 -0.094 0.000 0.984 321 I CA -0.486 60.735 61.300 -0.132 0.000 1.214 321 I CB 1.585 39.315 38.000 -0.451 0.000 1.365 321 I HN 0.107 nan 8.210 nan 0.000 0.469 322 T N 6.036 120.572 114.554 -0.031 0.000 2.791 322 T HA 0.493 4.820 4.350 -0.038 0.000 0.288 322 T C -0.532 174.132 174.700 -0.060 0.000 0.999 322 T CA -0.292 61.849 62.100 0.070 0.000 0.952 322 T CB 0.441 69.495 68.868 0.310 0.000 0.938 322 T HN 0.163 nan 8.240 nan 0.000 0.444 323 Y N 2.119 122.474 120.300 0.091 0.000 2.335 323 Y HA 0.619 5.146 4.550 -0.038 0.000 0.323 323 Y C 0.339 176.262 175.900 0.038 0.000 1.224 323 Y CA -1.132 57.002 58.100 0.056 0.000 1.241 323 Y CB 0.926 39.407 38.460 0.036 0.000 1.235 323 Y HN 0.349 nan 8.280 nan 0.000 0.492 324 L N 1.355 122.697 121.223 0.200 0.000 2.362 324 L HA 0.492 4.810 4.340 -0.038 0.000 0.271 324 L C -0.646 176.241 176.870 0.029 0.000 1.002 324 L CA -0.648 54.243 54.840 0.084 0.000 0.818 324 L CB 2.003 44.084 42.059 0.037 0.000 1.298 324 L HN 0.544 nan 8.230 nan 0.000 0.420 325 S N 3.397 119.082 115.700 -0.025 0.000 2.406 325 S HA 0.329 4.777 4.470 -0.038 0.000 0.224 325 S C -2.344 172.167 174.600 -0.148 0.000 1.426 325 S CA -1.039 57.108 58.200 -0.089 0.000 1.179 325 S CB 0.818 63.984 63.200 -0.057 0.000 1.042 325 S HN 0.385 nan 8.310 nan 0.000 0.479 326 P HA 0.181 nan 4.420 nan 0.000 0.269 326 P C -0.717 176.455 177.300 -0.214 0.000 1.209 326 P CA -0.252 62.648 63.100 -0.333 0.000 0.776 326 P CB 0.735 31.913 31.700 -0.869 0.000 0.876 327 V N 4.208 124.068 119.914 -0.090 0.000 2.459 327 V HA 0.420 4.518 4.120 -0.038 0.000 0.295 327 V C 0.742 176.840 176.094 0.007 0.000 1.029 327 V CA -0.500 61.777 62.300 -0.037 0.000 0.874 327 V CB 1.085 32.903 31.823 -0.007 0.000 0.985 327 V HN 0.493 nan 8.190 nan 0.000 0.438 328 I N 1.279 121.850 120.570 0.001 0.000 3.264 328 I HA 0.828 4.975 4.170 -0.038 0.000 0.309 328 I C -0.118 175.989 176.117 -0.017 0.000 1.099 328 I CA -0.681 60.626 61.300 0.011 0.000 0.989 328 I CB 2.255 40.270 38.000 0.024 0.000 1.250 328 I HN 0.505 nan 8.210 nan 0.000 0.478 329 S N 0.639 116.313 115.700 -0.044 0.000 2.608 329 S HA 0.438 4.885 4.470 -0.038 0.000 0.291 329 S C -0.683 173.887 174.600 -0.049 0.000 1.146 329 S CA -0.583 57.588 58.200 -0.048 0.000 1.043 329 S CB 0.892 64.048 63.200 -0.073 0.000 1.037 329 S HN 0.806 nan 8.310 nan 0.000 0.520 330 D N 2.359 122.744 120.400 -0.025 0.000 2.478 330 D HA 0.440 5.057 4.640 -0.038 0.000 0.274 330 D C 1.217 177.457 176.300 -0.101 0.000 1.234 330 D CA -0.156 53.827 54.000 -0.029 0.000 1.069 330 D CB -0.102 40.723 40.800 0.042 0.000 1.113 330 D HN 0.484 nan 8.370 nan 0.000 0.571 331 A N -1.247 121.446 122.820 -0.212 0.000 2.125 331 A HA -0.011 4.287 4.320 -0.038 0.000 0.219 331 A C 1.351 178.542 177.584 -0.655 0.000 1.156 331 A CA 0.727 52.483 52.037 -0.467 0.000 0.671 331 A CB -0.892 17.711 19.000 -0.661 0.000 0.794 331 A HN 0.445 nan 8.150 nan 0.000 0.459 332 F N -1.500 118.449 119.950 -0.002 0.000 2.653 332 F HA 0.407 4.911 4.527 -0.038 0.000 0.304 332 F C 1.705 177.495 175.800 -0.017 0.000 1.092 332 F CA 0.209 58.206 58.000 -0.005 0.000 1.279 332 F CB 0.273 39.271 39.000 -0.004 0.000 1.044 332 F HN 0.291 nan 8.300 nan 0.000 0.564 333 G N 0.176 109.011 108.800 0.058 0.000 2.175 333 G HA2 -0.262 3.675 3.960 -0.038 0.000 0.244 333 G HA3 -0.262 3.675 3.960 -0.038 0.000 0.244 333 G C 0.059 174.967 174.900 0.014 0.000 0.982 333 G CA -0.423 44.687 45.100 0.016 0.000 0.641 333 G HN 0.276 nan 8.290 nan 0.000 0.527 334 N N 2.259 120.990 118.700 0.052 0.000 2.514 334 N HA 0.382 5.099 4.740 -0.038 0.000 0.277 334 N C -2.472 173.043 175.510 0.009 0.000 1.126 334 N CA -0.922 52.147 53.050 0.033 0.000 0.978 334 N CB 1.623 40.146 38.487 0.061 0.000 1.106 334 N HN 0.225 nan 8.380 nan 0.000 0.461 335 P HA 0.162 nan 4.420 nan 0.000 0.275 335 P C -0.579 176.718 177.300 -0.004 0.000 1.227 335 P CA -0.091 63.001 63.100 -0.014 0.000 0.781 335 P CB 1.224 32.911 31.700 -0.022 0.000 0.906 336 R N 1.951 122.448 120.500 -0.006 0.000 2.532 336 R HA 0.272 4.590 4.340 -0.038 0.000 0.297 336 R C -0.598 175.691 176.300 -0.019 0.000 0.984 336 R CA -0.594 55.504 56.100 -0.004 0.000 0.884 336 R CB 1.557 31.860 30.300 0.005 0.000 1.182 336 R HN 0.486 nan 8.270 nan 0.000 0.442 337 E N 5.315 125.501 120.200 -0.023 0.000 2.249 337 E HA 0.197 4.524 4.350 -0.038 0.000 0.280 337 E C -0.663 175.905 176.600 -0.054 0.000 1.016 337 E CA -0.541 55.831 56.400 -0.045 0.000 0.830 337 E CB 0.999 30.677 29.700 -0.037 0.000 1.081 337 E HN 0.561 nan 8.360 nan 0.000 0.395 338 I N 5.530 126.041 120.570 -0.098 0.000 2.316 338 I HA 0.198 4.345 4.170 -0.038 0.000 0.286 338 I C 0.658 176.715 176.117 -0.099 0.000 1.107 338 I CA -0.445 60.799 61.300 -0.094 0.000 1.219 338 I CB 0.394 38.298 38.000 -0.160 0.000 1.455 338 I HN 0.356 nan 8.210 nan 0.000 0.498 339 R N 6.274 126.732 120.500 -0.071 0.000 2.502 339 R HA -0.050 4.267 4.340 -0.038 0.000 0.292 339 R C 0.114 176.342 176.300 -0.121 0.000 0.998 339 R CA 0.339 56.386 56.100 -0.088 0.000 1.056 339 R CB 0.228 30.481 30.300 -0.080 0.000 0.939 339 R HN 0.622 nan 8.270 nan 0.000 0.411 340 N N 2.380 120.987 118.700 -0.154 0.000 2.727 340 N HA -0.172 4.545 4.740 -0.038 0.000 0.249 340 N C 0.577 176.091 175.510 0.007 0.000 1.048 340 N CA 1.159 54.071 53.050 -0.230 0.000 0.714 340 N CB -1.294 36.781 38.487 -0.687 0.000 0.959 340 N HN 0.883 nan 8.380 nan 0.000 0.544 341 G N -1.074 107.731 108.800 0.009 0.000 2.623 341 G HA2 0.250 4.187 3.960 -0.038 0.000 0.214 341 G HA3 0.250 4.187 3.960 -0.038 0.000 0.214 341 G C 0.510 175.490 174.900 0.133 0.000 1.138 341 G CA 0.260 45.377 45.100 0.029 0.000 0.794 341 G HN 0.445 nan 8.290 nan 0.000 0.535 342 I N 0.276 120.940 120.570 0.158 0.000 2.498 342 I HA 0.312 4.459 4.170 -0.038 0.000 0.290 342 I C -0.802 175.431 176.117 0.193 0.000 1.032 342 I CA -0.935 60.474 61.300 0.182 0.000 1.073 342 I CB 2.512 40.564 38.000 0.086 0.000 1.251 342 I HN -0.197 nan 8.210 nan 0.000 0.426 343 c N 6.758 125.431 118.600 0.122 0.000 2.341 343 c HA 0.688 5.235 4.570 -0.038 0.000 0.338 343 c C 0.053 174.138 174.090 -0.008 0.000 1.257 343 c CA -0.527 55.772 56.329 -0.049 0.000 1.883 343 c CB 0.590 43.090 42.510 -0.016 0.000 2.334 343 c HN 0.658 nan 8.230 nan 0.000 0.524 344 M N 5.699 125.258 119.600 -0.068 0.000 2.263 344 M HA 0.511 4.968 4.480 -0.038 0.000 0.295 344 M C -0.682 175.589 176.300 -0.050 0.000 1.028 344 M CA -0.114 55.089 55.300 -0.163 0.000 0.921 344 M CB 1.791 34.221 32.600 -0.283 0.000 1.601 344 M HN 0.961 nan 8.290 nan 0.000 0.440 345 H N 0.848 119.678 119.070 -0.400 0.000 2.987 345 H HA 0.426 4.959 4.556 -0.038 0.000 0.316 345 H C -2.083 173.103 175.328 -0.236 0.000 1.380 345 H CA -1.158 54.816 56.048 -0.124 0.000 1.160 345 H CB 0.815 30.578 29.762 0.002 0.000 1.865 345 H HN 0.725 nan 8.280 nan 0.000 0.521 346 E N 1.164 121.336 120.200 -0.047 0.000 2.183 346 E HA 0.568 4.895 4.350 -0.038 0.000 0.271 346 E C -0.960 175.635 176.600 -0.008 0.000 0.919 346 E CA -0.899 55.395 56.400 -0.178 0.000 0.781 346 E CB 2.559 32.338 29.700 0.132 0.000 1.140 346 E HN 0.559 nan 8.360 nan 0.000 0.402 347 E N 1.779 121.940 120.200 -0.066 0.000 2.212 347 E HA 0.144 4.471 4.350 -0.038 0.000 0.268 347 E C -1.305 175.410 176.600 0.191 0.000 0.902 347 E CA -0.935 55.516 56.400 0.085 0.000 0.779 347 E CB 1.845 31.572 29.700 0.044 0.000 1.172 347 E HN 0.586 nan 8.360 nan 0.000 0.409 348 D N 1.324 121.856 120.400 0.220 0.000 2.414 348 D HA -0.055 4.562 4.640 -0.038 0.000 0.242 348 D C -0.814 175.705 176.300 0.364 0.000 1.129 348 D CA 0.160 54.302 54.000 0.237 0.000 0.885 348 D CB 0.567 41.456 40.800 0.148 0.000 1.198 348 D HN 0.430 nan 8.370 nan 0.000 0.437 349 W N 5.898 127.243 121.300 0.075 0.000 1.513 349 W HA 0.366 5.003 4.660 -0.038 0.000 0.311 349 W C 0.370 176.918 176.519 0.048 0.000 0.821 349 W CA 0.011 57.397 57.345 0.068 0.000 2.622 349 W CB 0.125 29.677 29.460 0.153 0.000 1.907 349 W HN 0.855 nan 8.180 nan 0.000 0.562 350 G N 1.969 110.705 108.800 -0.106 0.000 2.564 350 G HA2 -0.339 3.598 3.960 -0.038 0.000 0.273 350 G HA3 -0.339 3.598 3.960 -0.038 0.000 0.273 350 G C -0.348 174.525 174.900 -0.046 0.000 1.242 350 G CA 0.030 45.042 45.100 -0.148 0.000 0.951 350 G HN 0.083 nan 8.290 nan 0.000 0.564 351 I N 1.408 121.939 120.570 -0.066 0.000 2.441 351 I HA 0.243 4.390 4.170 -0.038 0.000 0.287 351 I C 1.542 177.672 176.117 0.021 0.000 1.049 351 I CA -0.165 61.123 61.300 -0.021 0.000 1.381 351 I CB 0.838 38.818 38.000 -0.033 0.000 1.409 351 I HN 0.615 nan 8.210 nan 0.000 0.523 352 L N 6.576 127.829 121.223 0.051 0.000 2.200 352 L HA 0.457 4.775 4.340 -0.038 0.000 0.200 352 L C 0.637 177.551 176.870 0.074 0.000 1.072 352 L CA 1.078 55.968 54.840 0.083 0.000 0.787 352 L CB 0.093 42.212 42.059 0.100 0.000 0.957 352 L HN 0.707 nan 8.230 nan 0.000 0.459 353 A N -0.519 122.351 122.820 0.083 0.000 2.589 353 A HA 0.652 4.949 4.320 -0.038 0.000 0.296 353 A C -1.113 176.568 177.584 0.162 0.000 1.062 353 A CA -0.607 51.511 52.037 0.134 0.000 0.686 353 A CB 1.119 20.247 19.000 0.213 0.000 1.282 353 A HN 0.055 nan 8.150 nan 0.000 0.404 354 K N 0.981 121.489 120.400 0.180 0.000 2.557 354 K HA 0.579 4.877 4.320 -0.038 0.000 0.257 354 K C -2.206 174.536 176.600 0.238 0.000 0.933 354 K CA -0.515 55.887 56.287 0.192 0.000 0.820 354 K CB 1.773 34.321 32.500 0.080 0.000 1.330 354 K HN 1.085 nan 8.250 nan 0.000 0.432 355 H N 0.309 119.456 119.070 0.128 0.000 3.137 355 H HA 0.360 4.893 4.556 -0.038 0.000 0.336 355 H C -1.937 173.418 175.328 0.046 0.000 1.055 355 H CA -0.341 55.736 56.048 0.048 0.000 1.349 355 H CB 1.874 31.636 29.762 0.001 0.000 1.939 355 H HN 0.413 nan 8.280 nan 0.000 0.487 356 S N 4.138 119.516 115.700 -0.537 0.000 2.520 356 S HA 0.167 4.614 4.470 -0.038 0.000 0.324 356 S C -0.794 173.365 174.600 -0.736 0.000 1.069 356 S CA -0.646 57.296 58.200 -0.431 0.000 1.121 356 S CB 0.409 63.478 63.200 -0.218 0.000 0.971 356 S HN 0.652 nan 8.310 nan 0.000 0.463 357 D N 2.322 122.354 120.400 -0.613 0.000 2.274 357 D HA 0.292 4.909 4.640 -0.038 0.000 0.239 357 D C 1.015 177.201 176.300 -0.191 0.000 1.104 357 D CA -0.594 53.161 54.000 -0.410 0.000 0.840 357 D CB 0.827 41.573 40.800 -0.090 0.000 1.100 357 D HN 0.263 nan 8.370 nan 0.000 0.477 358 L N 5.591 126.678 121.223 -0.227 0.000 1.989 358 L HA -0.066 4.252 4.340 -0.038 0.000 0.211 358 L C 1.430 178.322 176.870 0.037 0.000 1.071 358 L CA 1.684 56.441 54.840 -0.138 0.000 0.749 358 L CB -0.494 41.421 42.059 -0.240 0.000 0.890 358 L HN 0.607 nan 8.230 nan 0.000 0.431 359 W N -0.071 121.233 121.300 0.007 0.000 2.338 359 W HA -0.138 4.499 4.660 -0.038 0.000 0.304 359 W C 2.999 179.521 176.519 0.006 0.000 1.212 359 W CA 1.639 58.989 57.345 0.009 0.000 1.264 359 W CB -1.817 27.654 29.460 0.018 0.000 1.142 359 W HN 0.567 nan 8.180 nan 0.000 0.512 360 S N -1.216 114.610 115.700 0.209 0.000 2.486 360 S HA 0.310 4.757 4.470 -0.038 0.000 0.220 360 S C 1.797 176.440 174.600 0.071 0.000 1.011 360 S CA 0.850 59.125 58.200 0.124 0.000 0.921 360 S CB -0.002 63.261 63.200 0.104 0.000 0.785 360 S HN 0.432 nan 8.310 nan 0.000 0.517 361 G N 1.188 110.016 108.800 0.047 0.000 2.184 361 G HA2 -0.246 3.691 3.960 -0.038 0.000 0.264 361 G HA3 -0.246 3.691 3.960 -0.038 0.000 0.264 361 G C 0.020 174.924 174.900 0.006 0.000 0.975 361 G CA 0.368 45.479 45.100 0.018 0.000 0.642 361 G HN 0.606 nan 8.290 nan 0.000 0.536 362 I N 1.375 121.950 120.570 0.010 0.000 2.371 362 I HA 0.263 4.411 4.170 -0.038 0.000 0.290 362 I C -0.340 175.776 176.117 -0.001 0.000 1.028 362 I CA -0.705 60.609 61.300 0.023 0.000 1.345 362 I CB 0.895 38.923 38.000 0.046 0.000 1.407 362 I HN -0.035 nan 8.210 nan 0.000 0.501 363 N N 6.462 125.175 118.700 0.023 0.000 2.417 363 N HA 0.297 5.014 4.740 -0.038 0.000 0.274 363 N C -1.323 174.255 175.510 0.112 0.000 0.987 363 N CA -0.430 52.629 53.050 0.016 0.000 0.912 363 N CB 1.634 40.113 38.487 -0.013 0.000 1.177 363 N HN 0.446 nan 8.380 nan 0.000 0.490 364 Y N 1.128 121.411 120.300 -0.027 0.000 2.391 364 Y HA 0.493 5.021 4.550 -0.038 0.000 0.341 364 Y C -0.951 174.953 175.900 0.008 0.000 0.965 364 Y CA -0.318 57.784 58.100 0.003 0.000 1.067 364 Y CB 1.583 40.061 38.460 0.029 0.000 1.199 364 Y HN 0.321 nan 8.280 nan 0.000 0.450 365 T N 6.853 121.213 114.554 -0.322 0.000 2.971 365 T HA 0.582 4.909 4.350 -0.038 0.000 0.304 365 T C -1.269 173.194 174.700 -0.395 0.000 1.038 365 T CA -0.997 60.956 62.100 -0.246 0.000 1.007 365 T CB 1.185 69.986 68.868 -0.112 0.000 1.055 365 T HN 0.416 nan 8.240 nan 0.000 0.451 366 R N 1.759 122.098 120.500 -0.269 0.000 2.744 366 R HA 0.560 4.878 4.340 -0.038 0.000 0.279 366 R C -0.493 175.773 176.300 -0.057 0.000 0.977 366 R CA -0.875 55.110 56.100 -0.192 0.000 0.906 366 R CB 2.193 32.389 30.300 -0.174 0.000 1.197 366 R HN 0.548 nan 8.270 nan 0.000 0.463 367 R N 0.965 121.453 120.500 -0.020 0.000 2.486 367 R HA 0.366 4.683 4.340 -0.038 0.000 0.286 367 R C 0.062 176.421 176.300 0.098 0.000 0.999 367 R CA -0.596 55.524 56.100 0.034 0.000 0.993 367 R CB 1.584 31.905 30.300 0.035 0.000 1.084 367 R HN 0.569 nan 8.270 nan 0.000 0.487 368 N N 0.593 119.388 118.700 0.158 0.000 2.476 368 N HA 0.393 5.110 4.740 -0.038 0.000 0.276 368 N C -0.833 174.886 175.510 0.347 0.000 1.204 368 N CA -0.534 52.679 53.050 0.271 0.000 0.974 368 N CB 1.118 39.810 38.487 0.343 0.000 1.204 368 N HN 0.327 nan 8.380 nan 0.000 0.543 369 R N 0.058 120.822 120.500 0.440 0.000 2.710 369 R HA 0.399 4.716 4.340 -0.038 0.000 0.270 369 R C -1.332 175.229 176.300 0.434 0.000 1.021 369 R CA -0.883 55.487 56.100 0.451 0.000 0.889 369 R CB 2.008 32.621 30.300 0.521 0.000 1.243 369 R HN 0.636 nan 8.270 nan 0.000 0.464 370 R N 1.399 121.944 120.500 0.074 0.000 2.673 370 R HA 0.476 4.793 4.340 -0.038 0.000 0.281 370 R C -1.318 174.519 176.300 -0.773 0.000 0.991 370 R CA -0.973 54.849 56.100 -0.463 0.000 0.896 370 R CB 1.836 31.513 30.300 -1.038 0.000 1.201 370 R HN 0.473 nan 8.270 nan 0.000 0.457 371 M N 3.059 121.885 119.600 -1.290 0.000 2.180 371 M HA 0.299 4.757 4.480 -0.038 0.000 0.358 371 M C -1.477 174.327 176.300 -0.828 0.000 1.233 371 M CA -0.477 53.982 55.300 -1.401 0.000 1.114 371 M CB 1.483 33.059 32.600 -1.707 0.000 1.594 371 M HN 0.496 nan 8.290 nan 0.000 0.467 372 V N 7.032 126.504 119.914 -0.737 0.000 2.495 372 V HA 0.576 4.673 4.120 -0.038 0.000 0.298 372 V C -0.528 175.347 176.094 -0.365 0.000 1.031 372 V CA -0.589 61.438 62.300 -0.455 0.000 0.871 372 V CB 1.650 33.171 31.823 -0.504 0.000 0.988 372 V HN 0.794 nan 8.190 nan 0.000 0.432 373 I N 4.465 124.912 120.570 -0.205 0.000 2.468 373 I HA 0.598 4.745 4.170 -0.038 0.000 0.284 373 I C -0.110 176.024 176.117 0.029 0.000 1.038 373 I CA 0.076 61.322 61.300 -0.091 0.000 1.083 373 I CB 1.913 39.853 38.000 -0.099 0.000 1.223 373 I HN 0.788 nan 8.210 nan 0.000 0.443 374 S N 5.523 121.249 115.700 0.043 0.000 2.651 374 S HA 0.891 5.338 4.470 -0.038 0.000 0.279 374 S C -0.891 173.815 174.600 0.178 0.000 1.148 374 S CA -0.728 57.448 58.200 -0.040 0.000 0.837 374 S CB 2.584 65.496 63.200 -0.480 0.000 1.138 374 S HN 0.511 nan 8.310 nan 0.000 0.478 375 F N -1.328 118.575 119.950 -0.079 0.000 2.668 375 F HA 0.876 5.380 4.527 -0.038 0.000 0.309 375 F C -2.208 173.644 175.800 0.087 0.000 1.117 375 F CA -1.668 56.378 58.000 0.078 0.000 0.951 375 F CB 0.902 40.003 39.000 0.169 0.000 1.323 375 F HN 0.607 nan 8.300 nan 0.000 0.451 376 F N 1.162 121.131 119.950 0.031 0.000 2.540 376 F HA 0.692 5.196 4.527 -0.039 0.000 0.317 376 F C -0.108 175.782 175.800 0.149 0.000 1.104 376 F CA -0.368 57.627 58.000 -0.008 0.000 0.913 376 F CB 2.217 41.258 39.000 0.069 0.000 1.170 376 F HN 0.882 nan 8.300 nan 0.000 0.450 377 T N 2.220 116.948 114.554 0.290 0.000 2.916 377 T HA 0.675 5.002 4.350 -0.038 0.000 0.292 377 T C -1.144 173.798 174.700 0.403 0.000 1.064 377 T CA -0.329 62.013 62.100 0.403 0.000 1.011 377 T CB 1.405 70.508 68.868 0.392 0.000 1.152 377 T HN 0.561 nan 8.240 nan 0.000 0.510 378 T N 3.321 118.089 114.554 0.356 0.000 2.840 378 T HA 0.596 4.923 4.350 -0.038 0.000 0.287 378 T C -0.886 173.894 174.700 0.134 0.000 0.991 378 T CA -0.335 61.894 62.100 0.214 0.000 0.964 378 T CB 0.632 69.594 68.868 0.156 0.000 0.954 378 T HN 0.402 nan 8.240 nan 0.000 0.438 379 I N 3.636 124.235 120.570 0.048 0.000 2.555 379 I HA 0.498 4.645 4.170 -0.038 0.000 0.275 379 I C 1.066 177.043 176.117 -0.233 0.000 1.082 379 I CA 0.323 61.554 61.300 -0.114 0.000 1.167 379 I CB 0.560 38.565 38.000 0.008 0.000 1.312 379 I HN 0.954 nan 8.210 nan 0.000 0.493 380 G N 5.342 113.983 108.800 -0.264 0.000 2.601 380 G HA2 -0.329 3.608 3.960 -0.038 0.000 0.306 380 G HA3 -0.329 3.608 3.960 -0.038 0.000 0.306 380 G C 0.417 175.214 174.900 -0.173 0.000 1.172 380 G CA 0.418 45.410 45.100 -0.180 0.000 0.966 380 G HN 0.684 nan 8.290 nan 0.000 0.542 384 Y N 0.145 120.497 120.300 0.087 0.000 2.442 384 Y HA 0.697 5.225 4.550 -0.037 0.000 0.344 384 Y C 0.706 176.041 175.900 -0.943 0.000 0.976 384 Y CA -1.115 56.851 58.100 -0.223 0.000 1.040 384 Y CB 2.555 41.092 38.460 0.128 0.000 1.228 384 Y HN 0.452 nan 8.280 nan 0.000 0.451 385 G N 2.258 110.367 108.800 -1.152 0.000 2.372 385 G HA2 0.581 4.518 3.960 -0.038 0.000 0.323 385 G HA3 0.581 4.518 3.960 -0.038 0.000 0.323 385 G C -1.677 172.923 174.900 -0.500 0.000 1.152 385 G CA -0.381 43.950 45.100 -1.281 0.000 0.906 385 G HN 0.320 nan 8.290 nan 0.000 0.460 386 F N 1.639 121.067 119.950 -0.870 0.000 2.402 386 F HA 0.478 4.982 4.527 -0.039 0.000 0.355 386 F C -0.707 174.724 175.800 -0.615 0.000 1.123 386 F CA -1.058 56.655 58.000 -0.478 0.000 1.021 386 F CB 1.654 40.492 39.000 -0.270 0.000 1.160 386 F HN 0.308 nan 8.300 nan 0.000 0.451 387 Y N 1.481 121.421 120.300 -0.599 0.000 2.350 387 Y HA 0.434 4.961 4.550 -0.038 0.000 0.338 387 Y C -1.019 174.191 175.900 -1.150 0.000 0.961 387 Y CA -1.530 56.132 58.100 -0.731 0.000 1.100 387 Y CB 1.331 39.301 38.460 -0.816 0.000 1.179 387 Y HN 0.512 nan 8.280 nan 0.000 0.454 388 W N 3.350 124.315 121.300 -0.558 0.000 2.573 388 W HA 0.620 5.258 4.660 -0.038 0.000 0.326 388 W C -1.403 174.676 176.519 -0.733 0.000 1.049 388 W CA -0.709 56.330 57.345 -0.511 0.000 1.220 388 W CB 1.194 30.524 29.460 -0.216 0.000 1.373 388 W HN 0.332 nan 8.180 nan 0.000 0.507 389 Y N 2.852 123.034 120.300 -0.197 0.000 2.462 389 Y HA 0.656 5.183 4.550 -0.038 0.000 0.346 389 Y C -0.337 175.222 175.900 -0.569 0.000 0.976 389 Y CA -1.627 56.157 58.100 -0.527 0.000 1.044 389 Y CB 1.242 39.256 38.460 -0.744 0.000 1.230 389 Y HN 0.055 nan 8.280 nan 0.000 0.455 390 L N 3.942 124.798 121.223 -0.612 0.000 2.349 390 L HA 0.513 4.830 4.340 -0.038 0.000 0.278 390 L C -1.273 175.399 176.870 -0.331 0.000 0.996 390 L CA -0.836 53.593 54.840 -0.685 0.000 0.825 390 L CB 1.265 42.599 42.059 -1.208 0.000 1.243 390 L HN 0.596 nan 8.230 nan 0.000 0.412 391 Y N 1.962 122.420 120.300 0.263 0.000 2.453 391 Y HA 0.302 4.829 4.550 -0.038 0.000 0.326 391 Y C 1.234 177.603 175.900 0.781 0.000 1.186 391 Y CA -0.668 57.706 58.100 0.457 0.000 1.200 391 Y CB 1.422 40.038 38.460 0.260 0.000 1.247 391 Y HN 0.450 nan 8.280 nan 0.000 0.482 392 L N 0.830 122.500 121.223 0.744 0.000 2.081 392 L HA -0.238 4.079 4.340 -0.038 0.000 0.212 392 L C 1.791 178.899 176.870 0.397 0.000 1.080 392 L CA 1.869 56.988 54.840 0.465 0.000 0.754 392 L CB -0.313 41.904 42.059 0.264 0.000 0.893 392 L HN 0.785 nan 8.230 nan 0.000 0.433 393 D N -0.615 119.994 120.400 0.348 0.000 2.363 393 D HA -0.036 4.581 4.640 -0.038 0.000 0.226 393 D C 1.415 177.791 176.300 0.127 0.000 1.020 393 D CA 0.971 55.063 54.000 0.154 0.000 0.892 393 D CB 0.297 41.160 40.800 0.105 0.000 0.900 393 D HN 0.381 nan 8.370 nan 0.000 0.531 394 G N -0.489 108.559 108.800 0.413 0.000 2.179 394 G HA2 -0.234 3.704 3.960 -0.038 0.000 0.220 394 G HA3 -0.234 3.704 3.960 -0.038 0.000 0.220 394 G C 0.377 175.749 174.900 0.787 0.000 0.990 394 G CA 0.171 45.535 45.100 0.440 0.000 0.646 394 G HN 0.444 nan 8.290 nan 0.000 0.517 395 T N 1.367 116.308 114.554 0.646 0.000 2.901 395 T HA 0.559 4.886 4.350 -0.038 0.000 0.301 395 T C 0.514 175.592 174.700 0.629 0.000 1.012 395 T CA 0.454 62.885 62.100 0.552 0.000 1.135 395 T CB 1.315 70.343 68.868 0.267 0.000 0.936 395 T HN 0.333 nan 8.240 nan 0.000 0.539 396 I N 2.625 123.486 120.570 0.485 0.000 2.433 396 I HA 0.486 4.633 4.170 -0.038 0.000 0.292 396 I C 0.170 176.435 176.117 0.246 0.000 1.001 396 I CA -0.577 60.892 61.300 0.281 0.000 1.119 396 I CB 1.789 39.930 38.000 0.235 0.000 1.289 396 I HN 0.604 nan 8.210 nan 0.000 0.438 397 E N 5.599 125.889 120.200 0.149 0.000 2.356 397 E HA 0.474 4.801 4.350 -0.038 0.000 0.275 397 E C -2.021 174.373 176.600 -0.343 0.000 0.904 397 E CA -0.648 55.731 56.400 -0.035 0.000 0.757 397 E CB 2.683 32.508 29.700 0.208 0.000 1.232 397 E HN 0.406 nan 8.360 nan 0.000 0.442 398 F N 2.300 121.636 119.950 -1.024 0.000 2.532 398 F HA 0.523 5.027 4.527 -0.038 0.000 0.321 398 F C -1.183 174.035 175.800 -0.969 0.000 1.089 398 F CA -0.552 56.629 58.000 -1.364 0.000 0.926 398 F CB 1.823 39.654 39.000 -1.948 0.000 1.168 398 F HN 0.507 nan 8.300 nan 0.000 0.459 399 E N 4.109 123.078 120.200 -2.051 0.000 2.278 399 E HA 0.680 5.007 4.350 -0.038 0.000 0.272 399 E C -1.946 173.732 176.600 -1.538 0.000 0.890 399 E CA -0.938 54.655 56.400 -1.345 0.000 0.770 399 E CB 1.746 31.120 29.700 -0.543 0.000 1.212 399 E HN 0.870 nan 8.360 nan 0.000 0.415 400 A N 4.482 126.654 122.820 -1.080 0.000 2.304 400 A HA 0.551 4.848 4.320 -0.038 0.000 0.323 400 A C -0.800 176.559 177.584 -0.376 0.000 1.195 400 A CA -0.708 50.854 52.037 -0.792 0.000 0.826 400 A CB 0.830 19.229 19.000 -1.001 0.000 1.184 400 A HN 0.547 nan 8.150 nan 0.000 0.496 401 K N 1.834 122.107 120.400 -0.211 0.000 2.425 401 K HA 0.551 4.848 4.320 -0.038 0.000 0.259 401 K C -0.563 176.052 176.600 0.024 0.000 0.978 401 K CA -0.263 55.989 56.287 -0.058 0.000 0.883 401 K CB 2.023 34.538 32.500 0.026 0.000 1.110 401 K HN 0.730 nan 8.250 nan 0.000 0.436 402 A N 2.621 125.479 122.820 0.064 0.000 2.274 402 A HA 0.520 4.817 4.320 -0.038 0.000 0.309 402 A C 0.012 177.585 177.584 -0.018 0.000 1.226 402 A CA -0.154 51.900 52.037 0.029 0.000 0.853 402 A CB 1.136 20.135 19.000 -0.001 0.000 1.146 402 A HN 0.686 nan 8.150 nan 0.000 0.518 403 T N 0.900 115.404 114.554 -0.083 0.000 2.587 403 T HA 0.799 5.126 4.350 -0.038 0.000 0.282 403 T C 0.363 174.972 174.700 -0.152 0.000 1.018 403 T CA 1.044 63.108 62.100 -0.060 0.000 1.120 403 T CB 0.657 69.543 68.868 0.030 0.000 1.538 403 T HN 2.637 nan 8.240 nan 0.000 0.480 404 G N -0.159 108.547 108.800 -0.156 0.000 2.416 404 G HA2 0.046 3.984 3.960 -0.038 0.000 0.203 404 G HA3 0.046 3.984 3.960 -0.038 0.000 0.203 404 G C -1.231 173.524 174.900 -0.241 0.000 1.227 404 G CA -0.211 44.761 45.100 -0.213 0.000 1.041 404 G HN 1.313 nan 8.290 nan 0.000 0.546 405 V N 1.199 120.930 119.914 -0.306 0.000 2.495 405 V HA 0.620 4.717 4.120 -0.038 0.000 0.298 405 V C 1.120 177.076 176.094 -0.231 0.000 1.031 405 V CA -0.117 62.014 62.300 -0.283 0.000 0.871 405 V CB 1.235 32.811 31.823 -0.411 0.000 0.988 405 V HN 1.690 nan 8.190 nan 0.000 0.432 406 V N 2.265 122.201 119.914 0.037 0.000 2.872 406 V HA 0.314 4.411 4.120 -0.038 0.000 0.307 406 V C -0.167 175.987 176.094 0.099 0.000 1.072 406 V CA -0.208 62.177 62.300 0.140 0.000 1.148 406 V CB 0.152 32.146 31.823 0.285 0.000 0.954 406 V HN 0.629 nan 8.190 nan 0.000 0.490 407 F N 4.883 124.845 119.950 0.020 0.000 2.472 407 F HA 0.507 5.014 4.527 -0.033 0.000 0.364 407 F C 1.024 176.949 175.800 0.209 0.000 1.090 407 F CA 0.262 58.301 58.000 0.064 0.000 1.188 407 F CB 0.713 39.736 39.000 0.038 0.000 1.105 407 F HN 0.990 nan 8.300 nan 0.000 0.536 408 T N 1.807 116.399 114.554 0.064 0.000 2.897 408 T HA 0.809 5.136 4.350 -0.038 0.000 0.278 408 T C -0.116 174.687 174.700 0.172 0.000 0.981 408 T CA -0.247 61.945 62.100 0.154 0.000 0.973 408 T CB 1.613 70.540 68.868 0.098 0.000 1.092 408 T HN 0.708 nan 8.240 nan 0.000 0.543 409 S N -0.653 115.092 115.700 0.076 0.000 2.727 409 S HA 0.768 5.215 4.470 -0.038 0.000 0.278 409 S C -0.732 173.832 174.600 -0.060 0.000 1.186 409 S CA -0.819 57.370 58.200 -0.019 0.000 0.836 409 S CB 0.779 63.971 63.200 -0.012 0.000 1.186 409 S HN 1.387 nan 8.310 nan 0.000 0.499 410 A N 0.448 123.177 122.820 -0.152 0.000 2.302 410 A HA 0.709 5.007 4.320 -0.038 0.000 0.285 410 A C -0.829 176.768 177.584 0.021 0.000 1.105 410 A CA -0.453 51.543 52.037 -0.068 0.000 0.816 410 A CB -0.073 18.858 19.000 -0.114 0.000 1.067 410 A HN 0.959 nan 8.150 nan 0.000 0.489 411 F N 3.129 123.060 119.950 -0.032 0.000 2.404 411 F HA 0.497 4.999 4.527 -0.042 0.000 0.358 411 F C -2.073 173.757 175.800 0.049 0.000 1.120 411 F CA -2.545 55.447 58.000 -0.014 0.000 1.144 411 F CB 0.684 39.672 39.000 -0.020 0.000 1.133 411 F HN 0.319 nan 8.300 nan 0.000 0.495 412 P HA -0.079 nan 4.420 nan 0.000 0.265 412 P C -0.813 176.291 177.300 -0.328 0.000 1.187 412 P CA 0.096 63.018 63.100 -0.295 0.000 0.766 412 P CB 0.399 31.903 31.700 -0.327 0.000 0.820 413 E N 2.001 122.134 120.200 -0.111 0.000 2.324 413 E HA 0.267 4.594 4.350 -0.038 0.000 0.271 413 E C 0.879 177.421 176.600 -0.095 0.000 1.028 413 E CA 0.419 56.779 56.400 -0.066 0.000 0.890 413 E CB -0.480 29.196 29.700 -0.041 0.000 1.004 413 E HN 0.754 nan 8.360 nan 0.000 0.431 414 G N 2.924 111.685 108.800 -0.064 0.000 2.159 414 G HA2 -0.156 3.781 3.960 -0.038 0.000 0.227 414 G HA3 -0.156 3.781 3.960 -0.038 0.000 0.227 414 G C 0.602 175.454 174.900 -0.081 0.000 0.986 414 G CA -0.080 44.989 45.100 -0.050 0.000 0.651 414 G HN 1.419 nan 8.290 nan 0.000 0.523 415 G N -1.531 107.150 108.800 -0.198 0.000 2.782 415 G HA2 0.388 4.325 3.960 -0.038 0.000 0.228 415 G HA3 0.388 4.325 3.960 -0.038 0.000 0.228 415 G C -0.111 174.579 174.900 -0.350 0.000 1.372 415 G CA 0.904 45.855 45.100 -0.247 0.000 0.862 415 G HN 2.228 nan 8.290 nan 0.000 0.547 416 S N -1.470 114.128 115.700 -0.169 0.000 2.537 416 S HA 0.583 5.030 4.470 -0.038 0.000 0.271 416 S C -0.201 174.387 174.600 -0.019 0.000 1.148 416 S CA 0.417 58.532 58.200 -0.142 0.000 0.868 416 S CB 1.737 64.786 63.200 -0.252 0.000 1.115 416 S HN 0.607 nan 8.310 nan 0.000 0.461 417 D N 2.246 122.628 120.400 -0.030 0.000 2.350 417 D HA 0.187 4.804 4.640 -0.038 0.000 0.213 417 D C 0.402 176.708 176.300 0.010 0.000 1.031 417 D CA 0.568 54.597 54.000 0.049 0.000 0.861 417 D CB 0.040 40.872 40.800 0.054 0.000 0.926 417 D HN 0.616 nan 8.370 nan 0.000 0.520 418 N N -0.636 117.896 118.700 -0.279 0.000 2.143 418 N HA 0.264 4.982 4.740 -0.038 0.000 0.229 418 N C -0.371 174.446 175.510 -1.156 0.000 1.294 418 N CA -0.014 52.677 53.050 -0.598 0.000 0.883 418 N CB 1.728 40.105 38.487 -0.184 0.000 1.148 418 N HN -0.012 nan 8.380 nan 0.000 0.511 419 I N 0.360 120.359 120.570 -0.952 0.000 2.752 419 I HA 0.347 4.494 4.170 -0.038 0.000 0.295 419 I C -0.764 175.344 176.117 -0.016 0.000 1.219 419 I CA -0.978 60.043 61.300 -0.465 0.000 1.030 419 I CB 2.226 40.175 38.000 -0.086 0.000 1.259 419 I HN -0.048 nan 8.210 nan 0.000 0.423 420 S N 3.690 119.533 115.700 0.239 0.000 2.578 420 S HA 0.532 4.979 4.470 -0.038 0.000 0.301 420 S C -0.765 173.794 174.600 -0.068 0.000 1.091 420 S CA -0.808 57.558 58.200 0.277 0.000 1.032 420 S CB 2.101 65.565 63.200 0.440 0.000 1.064 420 S HN 0.670 nan 8.310 nan 0.000 0.508 421 Q N 0.905 120.366 119.800 -0.566 0.000 2.274 421 Q HA 0.455 4.772 4.340 -0.038 0.000 0.256 421 Q C -0.159 175.637 176.000 -0.339 0.000 0.927 421 Q CA -0.498 54.836 55.803 -0.782 0.000 0.939 421 Q CB 0.728 28.648 28.738 -1.363 0.000 1.201 421 Q HN 0.867 nan 8.270 nan 0.000 0.426 422 L N 2.142 123.192 121.223 -0.289 0.000 2.537 422 L HA 0.544 4.861 4.340 -0.038 0.000 0.224 422 L C 0.362 177.089 176.870 -0.238 0.000 1.065 422 L CA 0.096 54.800 54.840 -0.228 0.000 0.860 422 L CB 0.558 42.396 42.059 -0.368 0.000 1.086 422 L HN 0.634 nan 8.230 nan 0.000 0.482 423 A N -1.014 121.634 122.820 -0.286 0.000 2.564 423 A HA 0.631 4.928 4.320 -0.038 0.000 0.291 423 A C -2.766 174.741 177.584 -0.127 0.000 1.102 423 A CA -0.988 50.945 52.037 -0.173 0.000 0.660 423 A CB 0.333 19.207 19.000 -0.209 0.000 1.283 423 A HN -0.233 nan 8.150 nan 0.000 0.430 424 P HA 0.291 nan 4.420 nan 0.000 0.258 424 P C 1.008 178.316 177.300 0.015 0.000 1.187 424 P CA 2.321 65.418 63.100 -0.006 0.000 0.767 424 P CB 0.326 32.038 31.700 0.020 0.000 0.770 425 G N 2.397 111.234 108.800 0.063 0.000 2.189 425 G HA2 -0.284 3.653 3.960 -0.038 0.000 0.267 425 G HA3 -0.284 3.653 3.960 -0.038 0.000 0.267 425 G C -0.125 174.826 174.900 0.084 0.000 0.975 425 G CA -0.112 45.056 45.100 0.113 0.000 0.644 425 G HN 0.561 nan 8.290 nan 0.000 0.537 426 L N 1.802 123.010 121.223 -0.025 0.000 2.264 426 L HA 0.774 5.091 4.340 -0.038 0.000 0.289 426 L C 0.725 177.536 176.870 -0.098 0.000 1.044 426 L CA 0.189 54.951 54.840 -0.130 0.000 0.807 426 L CB 1.080 42.920 42.059 -0.365 0.000 1.192 426 L HN 0.371 nan 8.230 nan 0.000 0.425 427 G N 3.396 112.200 108.800 0.007 0.000 2.489 427 G HA2 0.771 4.708 3.960 -0.038 0.000 0.327 427 G HA3 0.771 4.708 3.960 -0.038 0.000 0.327 427 G C -1.613 173.330 174.900 0.071 0.000 1.189 427 G CA -0.343 44.825 45.100 0.113 0.000 0.962 427 G HN 0.934 nan 8.290 nan 0.000 0.486 428 A N 1.418 124.328 122.820 0.151 0.000 2.522 428 A HA 0.753 5.050 4.320 -0.038 0.000 0.285 428 A C -2.835 174.937 177.584 0.313 0.000 1.198 428 A CA -1.331 50.851 52.037 0.242 0.000 0.742 428 A CB 1.616 20.768 19.000 0.253 0.000 1.176 428 A HN 0.403 nan 8.150 nan 0.000 0.444 429 P HA 0.202 nan 4.420 nan 0.000 0.268 429 P C -0.397 177.210 177.300 0.512 0.000 1.205 429 P CA 0.186 63.457 63.100 0.285 0.000 0.771 429 P CB 0.178 32.077 31.700 0.331 0.000 0.858 430 F N 3.545 123.633 119.950 0.230 0.000 2.506 430 F HA 0.208 4.714 4.527 -0.036 0.000 0.351 430 F C 1.634 177.384 175.800 -0.083 0.000 1.136 430 F CA 0.444 58.472 58.000 0.047 0.000 1.298 430 F CB -0.445 38.596 39.000 0.069 0.000 1.145 430 F HN 0.495 nan 8.300 nan 0.000 0.593 431 H N -0.105 118.838 119.070 -0.212 0.000 2.902 431 H HA 0.527 5.060 4.556 -0.038 0.000 0.297 431 H C -1.800 173.202 175.328 -0.543 0.000 1.406 431 H CA -1.122 54.572 56.048 -0.590 0.000 1.134 431 H CB 1.487 30.487 29.762 -1.270 0.000 1.833 431 H HN 0.584 nan 8.280 nan 0.000 0.527 432 Q N 0.182 119.666 119.800 -0.526 0.000 2.451 432 Q HA 0.375 4.692 4.340 -0.038 0.000 0.281 432 Q C -1.112 174.569 176.000 -0.531 0.000 1.099 432 Q CA -0.962 54.550 55.803 -0.484 0.000 0.806 432 Q CB 3.010 31.532 28.738 -0.360 0.000 1.419 432 Q HN 0.546 nan 8.270 nan 0.000 0.427 433 H N 1.498 120.391 119.070 -0.296 0.000 2.792 433 H HA 0.424 4.957 4.556 -0.038 0.000 0.298 433 H C -0.830 174.282 175.328 -0.361 0.000 1.042 433 H CA -0.232 55.629 56.048 -0.312 0.000 1.300 433 H CB 0.707 30.368 29.762 -0.168 0.000 1.431 433 H HN 0.437 nan 8.280 nan 0.000 0.496 434 I N 4.004 124.357 120.570 -0.361 0.000 2.354 434 I HA 0.225 4.373 4.170 -0.038 0.000 0.292 434 I C -0.460 175.431 176.117 -0.375 0.000 0.989 434 I CA -0.561 60.571 61.300 -0.280 0.000 1.188 434 I CB 0.859 38.702 38.000 -0.262 0.000 1.342 434 I HN 0.194 nan 8.210 nan 0.000 0.457 435 F N 3.238 122.909 119.950 -0.465 0.000 2.483 435 F HA 0.523 5.027 4.527 -0.038 0.000 0.329 435 F C 0.598 176.156 175.800 -0.403 0.000 1.064 435 F CA -0.833 56.826 58.000 -0.569 0.000 0.986 435 F CB 1.751 40.037 39.000 -1.190 0.000 1.218 435 F HN 0.260 nan 8.300 nan 0.000 0.484 436 S N 1.109 116.804 115.700 -0.008 0.000 2.756 436 S HA 0.770 5.217 4.470 -0.038 0.000 0.303 436 S C -0.974 173.711 174.600 0.142 0.000 1.135 436 S CA -0.535 57.695 58.200 0.051 0.000 1.066 436 S CB 0.494 63.528 63.200 -0.277 0.000 1.008 436 S HN 0.836 nan 8.310 nan 0.000 0.482 437 A N 4.940 127.912 122.820 0.253 0.000 2.260 437 A HA 0.610 4.908 4.320 -0.038 0.000 0.308 437 A C 0.148 177.774 177.584 0.070 0.000 1.254 437 A CA -0.655 51.505 52.037 0.204 0.000 0.874 437 A CB 0.363 19.471 19.000 0.179 0.000 1.153 437 A HN 0.839 nan 8.150 nan 0.000 0.527 438 R N 3.417 123.898 120.500 -0.032 0.000 2.207 438 R HA 0.539 4.856 4.340 -0.038 0.000 0.334 438 R C -1.554 174.570 176.300 -0.293 0.000 1.013 438 R CA -0.334 55.553 56.100 -0.355 0.000 0.858 438 R CB 0.312 30.279 30.300 -0.555 0.000 1.094 438 R HN 0.717 nan 8.270 nan 0.000 0.457 439 L N 4.445 125.476 121.223 -0.319 0.000 2.324 439 L HA 0.258 4.576 4.340 -0.038 0.000 0.274 439 L C -0.541 176.200 176.870 -0.214 0.000 1.012 439 L CA -0.885 53.841 54.840 -0.190 0.000 0.859 439 L CB 1.563 43.578 42.059 -0.073 0.000 1.224 439 L HN 0.534 nan 8.230 nan 0.000 0.429 440 D N 4.836 125.122 120.400 -0.189 0.000 2.359 440 D HA 0.171 4.788 4.640 -0.038 0.000 0.250 440 D C 0.095 176.361 176.300 -0.058 0.000 1.264 440 D CA -0.228 53.708 54.000 -0.106 0.000 0.911 440 D CB 0.638 41.397 40.800 -0.068 0.000 1.056 440 D HN 0.140 nan 8.370 nan 0.000 0.499 441 M N 2.447 122.029 119.600 -0.031 0.000 2.238 441 M HA 0.350 4.807 4.480 -0.038 0.000 0.347 441 M C 0.342 176.611 176.300 -0.052 0.000 1.173 441 M CA -0.432 54.845 55.300 -0.038 0.000 1.147 441 M CB 0.792 33.389 32.600 -0.004 0.000 1.547 441 M HN 0.483 nan 8.290 nan 0.000 0.455 442 A N 4.143 126.863 122.820 -0.168 0.000 3.415 442 A HA 0.395 4.692 4.320 -0.038 0.000 0.244 442 A C -0.352 177.097 177.584 -0.225 0.000 0.988 442 A CA -0.537 51.287 52.037 -0.355 0.000 0.991 442 A CB 0.110 18.728 19.000 -0.636 0.000 1.240 442 A HN 0.609 nan 8.150 nan 0.000 0.541 443 I N 1.679 122.191 120.570 -0.098 0.000 2.574 443 I HA 0.062 4.209 4.170 -0.038 0.000 0.291 443 I C 0.351 176.511 176.117 0.071 0.000 1.131 443 I CA 0.824 62.141 61.300 0.028 0.000 1.352 443 I CB -1.002 37.061 38.000 0.105 0.000 1.431 443 I HN 0.485 nan 8.210 nan 0.000 0.543 444 D N 5.016 125.485 120.400 0.115 0.000 2.837 444 D HA -0.154 4.464 4.640 -0.038 0.000 0.230 444 D C 0.655 176.912 176.300 -0.072 0.000 1.152 444 D CA 1.651 55.664 54.000 0.022 0.000 0.736 444 D CB -0.734 40.045 40.800 -0.036 0.000 1.084 444 D HN 1.112 nan 8.370 nan 0.000 0.429 445 G N -2.121 106.572 108.800 -0.179 0.000 2.408 445 G HA2 -0.106 3.831 3.960 -0.038 0.000 0.682 445 G HA3 -0.106 3.831 3.960 -0.038 0.000 0.682 445 G C 0.323 175.022 174.900 -0.335 0.000 1.303 445 G CA -0.367 44.562 45.100 -0.284 0.000 0.966 445 G HN 0.050 nan 8.290 nan 0.000 0.560 446 F N 0.705 120.643 119.950 -0.021 0.000 2.661 446 F HA 0.196 4.700 4.527 -0.038 0.000 0.298 446 F C 2.303 178.098 175.800 -0.008 0.000 1.137 446 F CA 1.272 59.253 58.000 -0.031 0.000 1.454 446 F CB 0.197 39.162 39.000 -0.059 0.000 1.103 446 F HN 0.296 nan 8.300 nan 0.000 0.577 447 T N 2.283 116.917 114.554 0.133 0.000 3.182 447 T HA 0.142 4.469 4.350 -0.038 0.000 0.274 447 T C -0.090 174.655 174.700 0.074 0.000 0.997 447 T CA -0.061 62.097 62.100 0.097 0.000 1.082 447 T CB -0.809 68.100 68.868 0.068 0.000 1.005 447 T HN 0.217 nan 8.240 nan 0.000 0.688 448 N N 2.090 120.842 118.700 0.087 0.000 2.381 448 N HA 0.770 5.487 4.740 -0.038 0.000 0.294 448 N C -0.318 175.241 175.510 0.082 0.000 1.216 448 N CA -1.334 51.763 53.050 0.078 0.000 0.803 448 N CB 2.035 40.568 38.487 0.076 0.000 1.372 448 N HN 0.497 nan 8.380 nan 0.000 0.500 449 R N -1.080 119.469 120.500 0.082 0.000 2.734 449 R HA 0.672 4.989 4.340 -0.038 0.000 0.271 449 R C -2.075 174.283 176.300 0.097 0.000 1.021 449 R CA -0.797 55.354 56.100 0.086 0.000 0.893 449 R CB 0.989 31.334 30.300 0.075 0.000 1.244 449 R HN 0.206 nan 8.270 nan 0.000 0.464 450 V N 0.918 120.897 119.914 0.107 0.000 2.656 450 V HA 0.439 4.536 4.120 -0.038 0.000 0.307 450 V C -0.676 175.504 176.094 0.143 0.000 1.051 450 V CA -0.723 61.658 62.300 0.134 0.000 0.893 450 V CB 1.902 33.811 31.823 0.144 0.000 0.999 450 V HN 0.769 nan 8.190 nan 0.000 0.426 451 E N 2.142 122.435 120.200 0.154 0.000 2.238 451 E HA 0.445 4.772 4.350 -0.038 0.000 0.267 451 E C -1.000 175.692 176.600 0.153 0.000 0.887 451 E CA -0.665 55.812 56.400 0.128 0.000 0.769 451 E CB 2.816 32.559 29.700 0.072 0.000 1.187 451 E HN 0.728 nan 8.360 nan 0.000 0.416 452 E N 2.566 122.841 120.200 0.125 0.000 2.146 452 E HA 0.078 4.405 4.350 -0.038 0.000 0.282 452 E C -1.021 175.501 176.600 -0.129 0.000 0.989 452 E CA -0.266 56.119 56.400 -0.024 0.000 0.799 452 E CB 0.915 30.671 29.700 0.093 0.000 1.088 452 E HN 0.385 nan 8.360 nan 0.000 0.397 453 E N 4.324 124.373 120.200 -0.251 0.000 2.133 453 E HA 0.178 4.505 4.350 -0.038 0.000 0.274 453 E C -1.260 175.215 176.600 -0.209 0.000 0.930 453 E CA -0.794 55.502 56.400 -0.174 0.000 0.770 453 E CB 0.944 30.562 29.700 -0.135 0.000 1.104 453 E HN 0.433 nan 8.360 nan 0.000 0.403 454 D N 2.466 122.790 120.400 -0.128 0.000 2.342 454 D HA 0.260 4.878 4.640 -0.038 0.000 0.243 454 D C -0.470 175.800 176.300 -0.050 0.000 1.019 454 D CA -0.556 53.380 54.000 -0.107 0.000 0.864 454 D CB 2.147 42.900 40.800 -0.079 0.000 1.315 454 D HN 0.149 nan 8.370 nan 0.000 0.468 455 V N 1.345 121.234 119.914 -0.041 0.000 2.811 455 V HA 0.199 4.296 4.120 -0.038 0.000 0.302 455 V C 0.191 176.294 176.094 0.016 0.000 1.063 455 V CA -0.246 62.057 62.300 0.005 0.000 1.088 455 V CB 1.417 33.218 31.823 -0.038 0.000 0.982 455 V HN 0.258 nan 8.190 nan 0.000 0.485 456 V N 5.917 125.871 119.914 0.067 0.000 2.407 456 V HA 0.443 4.541 4.120 -0.038 0.000 0.291 456 V C 0.200 176.348 176.094 0.090 0.000 1.018 456 V CA -0.796 61.538 62.300 0.056 0.000 0.842 456 V CB 1.526 33.378 31.823 0.048 0.000 0.996 456 V HN 0.801 nan 8.190 nan 0.000 0.426 457 R N 3.450 123.981 120.500 0.052 0.000 2.459 457 R HA 0.560 4.878 4.340 -0.038 0.000 0.281 457 R C -0.543 175.793 176.300 0.060 0.000 1.050 457 R CA -0.457 55.680 56.100 0.061 0.000 1.055 457 R CB 1.167 31.479 30.300 0.019 0.000 1.045 457 R HN 0.679 nan 8.270 nan 0.000 0.495 458 Q N 0.526 120.370 119.800 0.072 0.000 2.345 458 Q HA 0.257 4.574 4.340 -0.038 0.000 0.268 458 Q C -0.541 175.481 176.000 0.038 0.000 1.054 458 Q CA -0.826 55.006 55.803 0.049 0.000 0.835 458 Q CB 2.462 31.230 28.738 0.049 0.000 1.339 458 Q HN 0.626 nan 8.270 nan 0.000 0.447 459 T N -1.133 113.436 114.554 0.025 0.000 2.889 459 T HA 0.432 4.759 4.350 -0.038 0.000 0.291 459 T C 0.173 174.883 174.700 0.018 0.000 0.995 459 T CA -0.787 61.324 62.100 0.019 0.000 1.092 459 T CB 0.758 69.634 68.868 0.013 0.000 0.954 459 T HN 0.624 nan 8.240 nan 0.000 0.506 460 M N 2.958 122.568 119.600 0.016 0.000 2.238 460 M HA 0.465 4.922 4.480 -0.038 0.000 0.350 460 M C 0.472 176.778 176.300 0.010 0.000 1.321 460 M CA 1.067 56.375 55.300 0.014 0.000 1.097 460 M CB -0.661 31.947 32.600 0.013 0.000 1.713 460 M HN 1.185 nan 8.290 nan 0.000 0.455 461 G N 4.559 113.363 108.800 0.008 0.000 2.344 461 G HA2 0.212 4.149 3.960 -0.038 0.000 0.282 461 G HA3 0.212 4.149 3.960 -0.038 0.000 0.282 461 G C -3.399 171.503 174.900 0.004 0.000 1.281 461 G CA -1.120 43.983 45.100 0.005 0.000 0.877 461 G HN 0.415 nan 8.290 nan 0.000 0.494 462 P HA 0.318 nan 4.420 nan 0.000 0.262 462 P C 1.014 178.314 177.300 -0.000 0.000 1.182 462 P CA 2.369 65.469 63.100 0.001 0.000 0.761 462 P CB 0.772 32.472 31.700 0.000 0.000 0.795 463 G N 2.836 111.634 108.800 -0.002 0.000 2.225 463 G HA2 -0.274 3.663 3.960 -0.038 0.000 0.254 463 G HA3 -0.274 3.663 3.960 -0.038 0.000 0.254 463 G C 0.568 175.465 174.900 -0.005 0.000 0.988 463 G CA 0.345 45.442 45.100 -0.005 0.000 0.625 463 G HN 0.644 nan 8.290 nan 0.000 0.527 464 N N 0.217 118.917 118.700 -0.001 0.000 2.636 464 N HA 0.353 5.071 4.740 -0.038 0.000 0.287 464 N C 0.980 176.493 175.510 0.005 0.000 1.817 464 N CA 0.423 53.474 53.050 0.001 0.000 0.842 464 N CB 0.435 38.926 38.487 0.006 0.000 1.353 464 N HN 0.197 nan 8.380 nan 0.000 0.500 465 E N 0.021 120.222 120.200 0.003 0.000 2.160 465 E HA -0.047 4.281 4.350 -0.038 0.000 0.195 465 E C 1.213 177.817 176.600 0.006 0.000 0.991 465 E CA 1.206 57.608 56.400 0.004 0.000 0.810 465 E CB 0.117 29.818 29.700 0.002 0.000 0.742 465 E HN 0.373 nan 8.360 nan 0.000 0.466 466 R N -0.716 119.788 120.500 0.007 0.000 2.297 466 R HA 0.127 4.444 4.340 -0.038 0.000 0.197 466 R C 0.795 177.105 176.300 0.016 0.000 0.943 466 R CA 0.510 56.617 56.100 0.010 0.000 1.038 466 R CB 0.264 30.570 30.300 0.009 0.000 0.957 466 R HN 0.241 nan 8.270 nan 0.000 0.484 467 G N 2.518 111.329 108.800 0.018 0.000 2.273 467 G HA2 -0.292 3.645 3.960 -0.038 0.000 0.280 467 G HA3 -0.292 3.645 3.960 -0.038 0.000 0.280 467 G C 0.419 175.344 174.900 0.041 0.000 1.047 467 G CA 0.736 45.851 45.100 0.026 0.000 0.869 467 G HN 0.570 nan 8.290 nan 0.000 0.502 468 N N -0.599 118.128 118.700 0.045 0.000 2.294 468 N HA 0.374 5.091 4.740 -0.038 0.000 0.186 468 N C 1.084 176.655 175.510 0.101 0.000 1.107 468 N CA 0.713 53.806 53.050 0.071 0.000 0.884 468 N CB 0.033 38.550 38.487 0.049 0.000 1.030 468 N HN 0.981 nan 8.380 nan 0.000 0.482 469 A N 1.008 123.861 122.820 0.054 0.000 2.498 469 A HA 0.445 4.743 4.320 -0.038 0.000 0.239 469 A C -0.470 177.191 177.584 0.128 0.000 1.068 469 A CA -0.217 51.831 52.037 0.019 0.000 0.766 469 A CB -0.432 18.561 19.000 -0.011 0.000 1.003 469 A HN 0.471 nan 8.150 nan 0.000 0.497 470 F N 0.338 120.283 119.950 -0.009 0.000 2.631 470 F HA 0.807 5.311 4.527 -0.038 0.000 0.308 470 F C -0.303 175.490 175.800 -0.012 0.000 1.097 470 F CA -0.518 57.476 58.000 -0.011 0.000 0.952 470 F CB 1.018 40.011 39.000 -0.012 0.000 1.307 470 F HN 0.569 nan 8.300 nan 0.000 0.450 471 S N 0.982 116.801 115.700 0.198 0.000 2.971 471 S HA 0.837 5.284 4.470 -0.038 0.000 0.320 471 S C -1.485 173.200 174.600 0.141 0.000 1.111 471 S CA -0.915 57.330 58.200 0.075 0.000 0.870 471 S CB 1.479 64.692 63.200 0.021 0.000 1.331 471 S HN 1.074 nan 8.310 nan 0.000 0.635 472 R N 0.737 121.276 120.500 0.064 0.000 2.707 472 R HA 0.632 4.949 4.340 -0.038 0.000 0.272 472 R C -1.898 174.412 176.300 0.015 0.000 1.011 472 R CA -0.935 55.192 56.100 0.045 0.000 0.893 472 R CB 1.393 31.716 30.300 0.038 0.000 1.233 472 R HN 0.669 nan 8.270 nan 0.000 0.464 473 K N 1.997 122.397 120.400 0.000 0.000 2.422 473 K HA 0.561 4.858 4.320 -0.038 0.000 0.251 473 K C -1.173 175.418 176.600 -0.015 0.000 0.933 473 K CA -1.093 55.192 56.287 -0.004 0.000 0.798 473 K CB 2.708 35.207 32.500 -0.001 0.000 1.238 473 K HN 0.624 nan 8.250 nan 0.000 0.428 474 R N 1.294 121.790 120.500 -0.006 0.000 2.534 474 R HA 0.362 4.679 4.340 -0.038 0.000 0.301 474 R C -1.107 175.201 176.300 0.013 0.000 0.961 474 R CA -0.850 55.249 56.100 -0.003 0.000 0.871 474 R CB 2.481 32.783 30.300 0.004 0.000 1.170 474 R HN 0.643 nan 8.270 nan 0.000 0.446 475 T N 2.229 116.797 114.554 0.023 0.000 2.791 475 T HA 0.145 4.472 4.350 -0.038 0.000 0.288 475 T C -0.467 174.270 174.700 0.061 0.000 0.999 475 T CA -0.508 61.615 62.100 0.038 0.000 0.952 475 T CB 1.587 70.479 68.868 0.040 0.000 0.938 475 T HN 0.252 nan 8.240 nan 0.000 0.444 476 V N 6.111 126.058 119.914 0.056 0.000 2.637 476 V HA 0.385 4.482 4.120 -0.038 0.000 0.296 476 V C -0.273 175.865 176.094 0.073 0.000 1.046 476 V CA -0.434 61.907 62.300 0.068 0.000 1.066 476 V CB 0.194 32.051 31.823 0.056 0.000 0.968 476 V HN 0.738 nan 8.190 nan 0.000 0.483 477 L N 7.199 128.476 121.223 0.089 0.000 2.261 477 L HA 0.335 4.652 4.340 -0.038 0.000 0.289 477 L C 1.457 178.371 176.870 0.074 0.000 1.059 477 L CA 0.106 54.996 54.840 0.083 0.000 0.816 477 L CB 1.066 43.184 42.059 0.098 0.000 1.191 477 L HN 0.919 nan 8.230 nan 0.000 0.431 478 T N -0.687 113.904 114.554 0.061 0.000 3.044 478 T HA 0.182 4.509 4.350 -0.038 0.000 0.255 478 T C 0.938 175.672 174.700 0.058 0.000 1.073 478 T CA 0.043 62.177 62.100 0.057 0.000 1.125 478 T CB 0.335 69.231 68.868 0.046 0.000 0.908 478 T HN 0.320 nan 8.240 nan 0.000 0.480 479 R N 0.727 121.261 120.500 0.057 0.000 2.795 479 R HA 0.481 4.798 4.340 -0.038 0.000 0.275 479 R C 0.616 176.955 176.300 0.065 0.000 0.981 479 R CA -0.660 55.475 56.100 0.057 0.000 0.917 479 R CB 1.296 31.624 30.300 0.046 0.000 1.202 479 R HN 0.226 nan 8.270 nan 0.000 0.469 480 E N 0.470 120.715 120.200 0.075 0.000 2.160 480 E HA -0.161 4.166 4.350 -0.038 0.000 0.195 480 E C 1.210 177.851 176.600 0.069 0.000 0.991 480 E CA 1.835 58.290 56.400 0.091 0.000 0.810 480 E CB 0.152 29.918 29.700 0.110 0.000 0.742 480 E HN 0.624 nan 8.360 nan 0.000 0.466 481 S N 0.984 116.715 115.700 0.052 0.000 2.507 481 S HA -0.161 4.287 4.470 -0.038 0.000 0.235 481 S C 1.448 176.057 174.600 0.014 0.000 0.988 481 S CA 1.190 59.410 58.200 0.033 0.000 0.944 481 S CB -0.297 62.921 63.200 0.030 0.000 0.762 481 S HN 0.456 nan 8.310 nan 0.000 0.526 482 E N -0.052 120.160 120.200 0.021 0.000 2.693 482 E HA 0.558 4.885 4.350 -0.038 0.000 0.214 482 E C 0.758 177.363 176.600 0.008 0.000 0.990 482 E CA 0.103 56.509 56.400 0.011 0.000 1.047 482 E CB 0.452 30.167 29.700 0.025 0.000 1.039 482 E HN 0.434 nan 8.360 nan 0.000 0.475 483 A N 0.966 123.789 122.820 0.005 0.000 2.545 483 A HA 0.330 4.628 4.320 -0.038 0.000 0.277 483 A C 0.140 177.663 177.584 -0.102 0.000 1.301 483 A CA -0.244 51.794 52.037 0.002 0.000 0.935 483 A CB 0.291 19.332 19.000 0.069 0.000 1.093 483 A HN 0.118 nan 8.150 nan 0.000 0.519 484 V N 2.882 122.667 119.914 -0.215 0.000 2.294 484 V HA 0.367 4.464 4.120 -0.038 0.000 0.272 484 V C -0.460 175.398 176.094 -0.393 0.000 1.027 484 V CA -0.724 61.253 62.300 -0.538 0.000 0.823 484 V CB 0.455 31.866 31.823 -0.686 0.000 1.030 484 V HN 0.459 nan 8.190 nan 0.000 0.457 485 R N 3.425 123.704 120.500 -0.369 0.000 2.668 485 R HA 0.636 4.953 4.340 -0.038 0.000 0.279 485 R C -0.035 176.200 176.300 -0.108 0.000 0.976 485 R CA -0.672 55.343 56.100 -0.141 0.000 0.978 485 R CB 1.939 32.249 30.300 0.017 0.000 1.133 485 R HN 0.886 nan 8.270 nan 0.000 0.484 486 E N 0.493 120.742 120.200 0.081 0.000 2.235 486 E HA 0.708 5.035 4.350 -0.038 0.000 0.265 486 E C -0.827 175.977 176.600 0.340 0.000 0.940 486 E CA -1.108 55.370 56.400 0.130 0.000 0.819 486 E CB 1.658 31.395 29.700 0.062 0.000 1.206 486 E HN 0.529 nan 8.360 nan 0.000 0.409 487 A N 1.210 124.225 122.820 0.325 0.000 2.313 487 A HA 0.291 4.588 4.320 -0.038 0.000 0.261 487 A C -0.332 177.353 177.584 0.169 0.000 1.090 487 A CA -0.135 52.114 52.037 0.353 0.000 0.807 487 A CB 0.410 19.600 19.000 0.317 0.000 1.055 487 A HN 0.703 nan 8.150 nan 0.000 0.492 488 D N -0.032 120.418 120.400 0.085 0.000 2.527 488 D HA 0.419 5.037 4.640 -0.038 0.000 0.242 488 D C 0.687 176.986 176.300 -0.001 0.000 1.285 488 D CA 0.286 54.304 54.000 0.029 0.000 0.886 488 D CB 0.587 41.386 40.800 -0.002 0.000 1.402 488 D HN 0.474 nan 8.370 nan 0.000 0.528 489 A N 2.719 125.556 122.820 0.029 0.000 1.940 489 A HA -0.174 4.123 4.320 -0.038 0.000 0.219 489 A C 2.091 179.670 177.584 -0.008 0.000 1.176 489 A CA 1.459 53.508 52.037 0.020 0.000 0.631 489 A CB -0.227 18.799 19.000 0.043 0.000 0.814 489 A HN 0.490 nan 8.150 nan 0.000 0.446 490 R N -0.251 120.244 120.500 -0.008 0.000 2.091 490 R HA -0.140 4.178 4.340 -0.038 0.000 0.238 490 R C 1.653 177.929 176.300 -0.041 0.000 1.136 490 R CA 2.001 58.088 56.100 -0.022 0.000 0.959 490 R CB -0.377 29.915 30.300 -0.014 0.000 0.856 490 R HN 0.623 nan 8.270 nan 0.000 0.437 491 T N -3.252 111.275 114.554 -0.045 0.000 3.223 491 T HA 0.247 4.574 4.350 -0.038 0.000 0.259 491 T C 0.858 175.512 174.700 -0.077 0.000 1.015 491 T CA 0.148 62.212 62.100 -0.059 0.000 0.908 491 T CB 0.703 69.539 68.868 -0.054 0.000 1.054 491 T HN 0.386 nan 8.240 nan 0.000 0.567 492 G N 2.463 111.220 108.800 -0.071 0.000 2.341 492 G HA2 -0.355 3.583 3.960 -0.038 0.000 0.292 492 G HA3 -0.355 3.583 3.960 -0.038 0.000 0.292 492 G C 0.065 174.886 174.900 -0.133 0.000 1.021 492 G CA 0.248 45.305 45.100 -0.072 0.000 0.905 492 G HN 0.914 nan 8.290 nan 0.000 0.508 493 R N 0.519 120.902 120.500 -0.194 0.000 2.484 493 R HA 0.413 4.731 4.340 -0.038 0.000 0.293 493 R C 0.854 176.783 176.300 -0.618 0.000 1.023 493 R CA 0.988 56.850 56.100 -0.397 0.000 1.037 493 R CB 0.214 30.267 30.300 -0.413 0.000 0.951 493 R HN 0.477 nan 8.270 nan 0.000 0.418 494 T N 0.746 114.849 114.554 -0.751 0.000 2.838 494 T HA 0.534 4.862 4.350 -0.038 0.000 0.292 494 T C -1.039 173.136 174.700 -0.874 0.000 1.113 494 T CA -0.958 60.710 62.100 -0.719 0.000 1.008 494 T CB 1.257 69.877 68.868 -0.412 0.000 1.259 494 T HN 0.570 nan 8.240 nan 0.000 0.520 495 W N 0.677 121.923 121.300 -0.091 0.000 2.781 495 W HA 0.584 5.221 4.660 -0.038 0.000 0.333 495 W C -1.164 175.330 176.519 -0.042 0.000 1.047 495 W CA -1.171 56.146 57.345 -0.046 0.000 1.236 495 W CB 1.640 31.082 29.460 -0.029 0.000 1.394 495 W HN 0.589 nan 8.180 nan 0.000 0.466 496 I N 4.409 125.066 120.570 0.145 0.000 2.354 496 I HA 0.286 4.434 4.170 -0.038 0.000 0.292 496 I C -0.289 175.911 176.117 0.139 0.000 0.989 496 I CA -0.929 60.436 61.300 0.108 0.000 1.188 496 I CB 1.206 39.239 38.000 0.055 0.000 1.342 496 I HN 0.080 nan 8.210 nan 0.000 0.457 497 I N 6.170 126.828 120.570 0.147 0.000 2.312 497 I HA 0.296 4.444 4.170 -0.038 0.000 0.290 497 I C 0.375 176.573 176.117 0.135 0.000 1.008 497 I CA 0.292 61.672 61.300 0.132 0.000 1.226 497 I CB 1.226 39.295 38.000 0.116 0.000 1.371 497 I HN 0.604 nan 8.210 nan 0.000 0.468 498 S N 3.996 119.763 115.700 0.111 0.000 2.709 498 S HA 0.582 5.030 4.470 -0.038 0.000 0.302 498 S C -0.670 173.981 174.600 0.085 0.000 1.127 498 S CA -0.932 57.332 58.200 0.107 0.000 0.905 498 S CB 1.907 65.157 63.200 0.084 0.000 1.151 498 S HN 0.509 nan 8.310 nan 0.000 0.510 499 N N 1.843 120.586 118.700 0.072 0.000 2.558 499 N HA 0.372 5.089 4.740 -0.038 0.000 0.242 499 N C -2.014 173.514 175.510 0.030 0.000 0.979 499 N CA -2.317 50.761 53.050 0.046 0.000 0.931 499 N CB 1.462 39.967 38.487 0.031 0.000 1.122 499 N HN 0.380 nan 8.380 nan 0.000 0.508 500 P HA -0.051 nan 4.420 nan 0.000 0.231 500 P C -0.074 177.234 177.300 0.013 0.000 1.158 500 P CA 1.059 64.174 63.100 0.024 0.000 0.763 500 P CB 0.491 32.210 31.700 0.031 0.000 0.805 501 E N -1.034 119.171 120.200 0.009 0.000 2.558 501 E HA 0.183 4.510 4.350 -0.038 0.000 0.205 501 E C -0.114 176.476 176.600 -0.016 0.000 1.006 501 E CA -0.138 56.262 56.400 0.001 0.000 0.961 501 E CB 0.459 30.164 29.700 0.008 0.000 1.044 501 E HN -0.060 nan 8.360 nan 0.000 0.465 502 S N 0.912 116.595 115.700 -0.027 0.000 2.779 502 S HA 0.368 4.815 4.470 -0.038 0.000 0.293 502 S C -1.119 173.439 174.600 -0.069 0.000 1.150 502 S CA -0.746 57.418 58.200 -0.059 0.000 1.057 502 S CB 0.399 63.550 63.200 -0.081 0.000 1.021 502 S HN -0.016 nan 8.310 nan 0.000 0.485 503 K N 2.975 123.333 120.400 -0.070 0.000 2.207 503 K HA 0.433 4.731 4.320 -0.038 0.000 0.255 503 K C 0.031 176.578 176.600 -0.089 0.000 0.941 503 K CA -0.997 55.251 56.287 -0.065 0.000 0.825 503 K CB 1.056 33.532 32.500 -0.041 0.000 1.119 503 K HN 0.751 nan 8.250 nan 0.000 0.430 504 N N 0.878 119.525 118.700 -0.088 0.000 2.322 504 N HA 0.001 4.719 4.740 -0.038 0.000 0.270 504 N C 0.719 176.195 175.510 -0.056 0.000 1.286 504 N CA -0.344 52.651 53.050 -0.092 0.000 0.948 504 N CB 0.271 38.710 38.487 -0.080 0.000 1.164 504 N HN 0.577 nan 8.380 nan 0.000 0.551 505 R N -0.854 119.620 120.500 -0.043 0.000 2.293 505 R HA 0.027 4.345 4.340 -0.038 0.000 0.219 505 R C 0.530 176.817 176.300 -0.022 0.000 1.091 505 R CA 1.111 57.194 56.100 -0.028 0.000 1.004 505 R CB -0.693 29.595 30.300 -0.019 0.000 0.865 505 R HN 0.563 nan 8.270 nan 0.000 0.469 506 L N 1.060 122.270 121.223 -0.021 0.000 2.741 506 L HA 0.172 4.489 4.340 -0.038 0.000 0.237 506 L C 0.155 177.015 176.870 -0.017 0.000 1.178 506 L CA -0.267 54.564 54.840 -0.016 0.000 0.973 506 L CB -0.465 41.586 42.059 -0.013 0.000 1.255 506 L HN 0.373 nan 8.230 nan 0.000 0.498 507 N N 1.930 120.617 118.700 -0.022 0.000 2.740 507 N HA -0.164 4.554 4.740 -0.038 0.000 0.248 507 N C -0.441 175.058 175.510 -0.018 0.000 1.062 507 N CA 0.522 53.559 53.050 -0.021 0.000 0.704 507 N CB -0.072 38.405 38.487 -0.016 0.000 0.968 507 N HN 0.418 nan 8.380 nan 0.000 0.547 508 E N 0.266 120.453 120.200 -0.022 0.000 2.222 508 E HA 0.393 4.720 4.350 -0.038 0.000 0.267 508 E C -2.515 174.073 176.600 -0.020 0.000 0.884 508 E CA -1.716 54.675 56.400 -0.015 0.000 0.764 508 E CB 1.700 31.394 29.700 -0.010 0.000 1.169 508 E HN 0.097 nan 8.360 nan 0.000 0.413 509 P HA -0.075 nan 4.420 nan 0.000 0.261 509 P C -0.004 177.296 177.300 0.000 0.000 1.183 509 P CA 0.008 63.105 63.100 -0.005 0.000 0.761 509 P CB 0.340 32.049 31.700 0.014 0.000 0.785 510 V N 2.078 121.978 119.914 -0.023 0.000 2.963 510 V HA 0.718 4.816 4.120 -0.038 0.000 0.306 510 V C 0.563 176.742 176.094 0.142 0.000 1.077 510 V CA 0.338 62.635 62.300 -0.005 0.000 1.124 510 V CB 0.319 32.023 31.823 -0.198 0.000 0.987 510 V HN 0.728 nan 8.190 nan 0.000 0.487 511 G N 2.160 111.103 108.800 0.239 0.000 2.600 511 G HA2 0.604 4.541 3.960 -0.038 0.000 0.293 511 G HA3 0.604 4.541 3.960 -0.038 0.000 0.293 511 G C -2.315 172.739 174.900 0.256 0.000 1.408 511 G CA -0.739 44.510 45.100 0.249 0.000 0.782 511 G HN 0.775 nan 8.290 nan 0.000 0.482 512 Y N -0.122 120.207 120.300 0.049 0.000 2.457 512 Y HA 0.608 5.135 4.550 -0.038 0.000 0.343 512 Y C 0.036 175.959 175.900 0.039 0.000 0.994 512 Y CA -0.829 57.283 58.100 0.020 0.000 1.031 512 Y CB 2.787 41.228 38.460 -0.031 0.000 1.246 512 Y HN 0.516 nan 8.280 nan 0.000 0.449 513 K N 4.095 124.540 120.400 0.075 0.000 2.235 513 K HA 0.532 4.829 4.320 -0.038 0.000 0.266 513 K C -1.648 174.942 176.600 -0.018 0.000 0.980 513 K CA -0.855 55.425 56.287 -0.012 0.000 0.849 513 K CB 0.983 33.406 32.500 -0.129 0.000 1.098 513 K HN 0.630 nan 8.250 nan 0.000 0.445 514 L N 5.189 126.416 121.223 0.007 0.000 2.260 514 L HA 0.275 4.592 4.340 -0.038 0.000 0.289 514 L C -1.315 175.527 176.870 -0.046 0.000 1.057 514 L CA 0.094 54.980 54.840 0.077 0.000 0.811 514 L CB 0.377 42.511 42.059 0.124 0.000 1.184 514 L HN 0.658 nan 8.230 nan 0.000 0.429 515 H N 4.640 123.816 119.070 0.178 0.000 2.597 515 H HA 0.679 5.213 4.556 -0.038 0.000 0.303 515 H C 0.054 175.517 175.328 0.225 0.000 1.057 515 H CA -0.012 56.133 56.048 0.162 0.000 1.261 515 H CB 1.156 30.999 29.762 0.135 0.000 1.397 515 H HN 0.879 nan 8.280 nan 0.000 0.461 516 A N 2.258 125.272 122.820 0.322 0.000 2.264 516 A HA 0.202 4.499 4.320 -0.038 0.000 0.304 516 A C 0.435 178.312 177.584 0.487 0.000 1.100 516 A CA -0.535 51.734 52.037 0.387 0.000 0.839 516 A CB 0.512 19.768 19.000 0.426 0.000 1.121 516 A HN 1.003 nan 8.150 nan 0.000 0.496 517 H N 0.484 119.734 119.070 0.301 0.000 2.551 517 H HA 0.010 4.543 4.556 -0.038 0.000 0.266 517 H C -0.159 175.285 175.328 0.194 0.000 0.964 517 H CA 0.250 56.423 56.048 0.208 0.000 1.180 517 H CB 0.196 30.068 29.762 0.184 0.000 1.408 517 H HN 0.748 nan 8.280 nan 0.000 0.563 518 N N 2.025 120.946 118.700 0.368 0.000 2.740 518 N HA -0.164 4.553 4.740 -0.038 0.000 0.248 518 N C -0.559 175.080 175.510 0.215 0.000 1.062 518 N CA 0.529 53.743 53.050 0.273 0.000 0.704 518 N CB -0.919 37.690 38.487 0.202 0.000 0.968 518 N HN 0.523 nan 8.380 nan 0.000 0.547 519 Q N -0.147 119.794 119.800 0.235 0.000 2.382 519 Q HA 0.352 4.670 4.340 -0.038 0.000 0.229 519 Q C -1.844 174.231 176.000 0.125 0.000 1.006 519 Q CA -1.016 54.889 55.803 0.170 0.000 0.916 519 Q CB 0.227 29.076 28.738 0.185 0.000 1.235 519 Q HN 0.136 nan 8.270 nan 0.000 0.512 520 P HA 0.008 nan 4.420 nan 0.000 0.269 520 P C -0.273 177.040 177.300 0.021 0.000 1.209 520 P CA 0.177 63.305 63.100 0.047 0.000 0.776 520 P CB 0.489 32.203 31.700 0.023 0.000 0.876 521 T N 0.038 114.599 114.554 0.013 0.000 2.891 521 T HA 0.317 4.644 4.350 -0.038 0.000 0.294 521 T C 0.278 174.935 174.700 -0.072 0.000 1.065 521 T CA -0.905 61.181 62.100 -0.023 0.000 0.936 521 T CB 0.062 68.931 68.868 0.002 0.000 1.415 521 T HN 0.178 nan 8.240 nan 0.000 0.572 522 L N 1.066 122.219 121.223 -0.117 0.000 2.628 522 L HA 0.131 4.448 4.340 -0.038 0.000 0.274 522 L C 0.864 177.682 176.870 -0.086 0.000 1.209 522 L CA 0.273 55.028 54.840 -0.140 0.000 0.930 522 L CB -0.477 41.472 42.059 -0.183 0.000 1.183 522 L HN 0.644 nan 8.230 nan 0.000 0.492 523 L N 5.010 126.184 121.223 -0.083 0.000 2.375 523 L HA 0.193 4.510 4.340 -0.038 0.000 0.215 523 L C 1.458 178.312 176.870 -0.026 0.000 1.108 523 L CA 0.273 55.088 54.840 -0.041 0.000 0.830 523 L CB -0.550 41.491 42.059 -0.030 0.000 0.959 523 L HN 0.842 nan 8.230 nan 0.000 0.457 524 A N 0.844 123.639 122.820 -0.041 0.000 2.586 524 A HA -0.127 4.170 4.320 -0.038 0.000 0.231 524 A C 0.355 177.936 177.584 -0.006 0.000 1.055 524 A CA -0.022 52.004 52.037 -0.019 0.000 0.756 524 A CB -0.111 18.873 19.000 -0.027 0.000 0.988 524 A HN 0.300 nan 8.150 nan 0.000 0.509 525 D N 2.545 122.951 120.400 0.010 0.000 2.506 525 D HA -0.007 4.610 4.640 -0.038 0.000 0.234 525 D C -1.094 175.211 176.300 0.009 0.000 1.143 525 D CA -0.751 53.257 54.000 0.014 0.000 0.871 525 D CB 0.812 41.625 40.800 0.022 0.000 1.190 525 D HN 0.286 nan 8.370 nan 0.000 0.459 526 P HA -0.099 nan 4.420 nan 0.000 0.219 526 P C 1.007 178.311 177.300 0.007 0.000 1.146 526 P CA 0.954 64.056 63.100 0.004 0.000 0.808 526 P CB 0.102 31.804 31.700 0.004 0.000 0.779 527 G N -0.196 108.612 108.800 0.012 0.000 3.042 527 G HA2 0.044 3.981 3.960 -0.038 0.000 0.212 527 G HA3 0.044 3.981 3.960 -0.038 0.000 0.212 527 G C 0.621 175.533 174.900 0.020 0.000 1.166 527 G CA 0.114 45.222 45.100 0.014 0.000 0.767 527 G HN 0.435 nan 8.290 nan 0.000 0.546 528 S N -0.604 115.113 115.700 0.027 0.000 2.600 528 S HA 0.299 4.746 4.470 -0.038 0.000 0.265 528 S C 1.624 176.245 174.600 0.034 0.000 1.325 528 S CA 0.481 58.711 58.200 0.049 0.000 1.002 528 S CB 1.637 64.873 63.200 0.060 0.000 0.921 528 S HN 0.082 nan 8.310 nan 0.000 0.554 529 S N 0.636 116.365 115.700 0.048 0.000 2.356 529 S HA -0.146 4.301 4.470 -0.038 0.000 0.223 529 S C 1.714 176.311 174.600 -0.005 0.000 1.032 529 S CA 1.230 59.403 58.200 -0.044 0.000 1.005 529 S CB -0.850 62.203 63.200 -0.244 0.000 0.867 529 S HN 0.721 nan 8.310 nan 0.000 0.449 530 I N 1.985 122.592 120.570 0.062 0.000 2.361 530 I HA 0.000 4.148 4.170 -0.038 0.000 0.251 530 I C 2.285 178.412 176.117 0.017 0.000 1.133 530 I CA 1.289 62.632 61.300 0.071 0.000 1.413 530 I CB -0.837 37.194 38.000 0.052 0.000 1.073 530 I HN 0.337 nan 8.210 nan 0.000 0.424 531 A N 0.336 123.155 122.820 -0.002 0.000 1.930 531 A HA -0.173 4.125 4.320 -0.038 0.000 0.217 531 A C 2.442 180.018 177.584 -0.014 0.000 1.175 531 A CA 1.553 53.575 52.037 -0.025 0.000 0.627 531 A CB -0.537 18.455 19.000 -0.014 0.000 0.815 531 A HN 0.465 nan 8.150 nan 0.000 0.443 532 R N -0.920 119.578 120.500 -0.003 0.000 2.093 532 R HA 0.044 4.362 4.340 -0.038 0.000 0.224 532 R C 2.286 178.583 176.300 -0.005 0.000 1.101 532 R CA 1.117 57.212 56.100 -0.008 0.000 0.979 532 R CB -0.177 30.115 30.300 -0.014 0.000 0.877 532 R HN 0.445 nan 8.270 nan 0.000 0.441 533 R N 0.097 120.613 120.500 0.027 0.000 2.161 533 R HA 0.108 4.425 4.340 -0.038 0.000 0.213 533 R C 0.799 177.195 176.300 0.160 0.000 1.055 533 R CA 0.988 57.123 56.100 0.058 0.000 0.996 533 R CB 0.368 30.721 30.300 0.089 0.000 0.901 533 R HN 0.039 nan 8.270 nan 0.000 0.456 534 A N 0.202 123.112 122.820 0.149 0.000 2.985 534 A HA 0.500 4.798 4.320 -0.038 0.000 0.303 534 A C 1.023 178.491 177.584 -0.193 0.000 1.048 534 A CA -0.174 51.919 52.037 0.094 0.000 1.016 534 A CB 0.386 19.358 19.000 -0.046 0.000 1.118 534 A HN 0.224 nan 8.150 nan 0.000 0.529 535 A N 0.154 122.931 122.820 -0.072 0.000 2.076 535 A HA -0.021 4.276 4.320 -0.038 0.000 0.220 535 A C 1.744 179.310 177.584 -0.030 0.000 1.160 535 A CA 1.721 53.731 52.037 -0.045 0.000 0.653 535 A CB -0.949 18.054 19.000 0.005 0.000 0.801 535 A HN 1.376 nan 8.150 nan 0.000 0.455 536 F N -0.332 119.468 119.950 -0.249 0.000 2.202 536 F HA 0.036 4.540 4.527 -0.038 0.000 0.301 536 F C 2.030 177.874 175.800 0.073 0.000 1.082 536 F CA 0.854 58.601 58.000 -0.422 0.000 1.313 536 F CB -0.845 37.789 39.000 -0.611 0.000 1.024 536 F HN 0.136 nan 8.300 nan 0.000 0.495 537 A N 0.516 122.647 122.820 -1.148 0.000 2.209 537 A HA -0.024 4.273 4.320 -0.038 0.000 0.212 537 A C 2.107 179.536 177.584 -0.260 0.000 1.158 537 A CA 1.365 52.909 52.037 -0.822 0.000 0.742 537 A CB -1.505 16.849 19.000 -1.077 0.000 0.790 537 A HN 0.591 nan 8.150 nan 0.000 0.472 538 T N -3.600 110.904 114.554 -0.083 0.000 3.081 538 T HA 0.187 4.514 4.350 -0.038 0.000 0.255 538 T C 0.617 175.339 174.700 0.036 0.000 1.113 538 T CA 0.256 62.351 62.100 -0.008 0.000 1.082 538 T CB 0.099 68.977 68.868 0.017 0.000 0.939 538 T HN 0.110 nan 8.240 nan 0.000 0.506 539 K N 0.937 121.412 120.400 0.126 0.000 2.477 539 K HA 0.397 4.694 4.320 -0.038 0.000 0.255 539 K C -0.476 176.185 176.600 0.102 0.000 0.952 539 K CA -0.508 55.775 56.287 -0.007 0.000 0.826 539 K CB 2.129 34.392 32.500 -0.395 0.000 1.331 539 K HN -0.052 nan 8.250 nan 0.000 0.437 540 D N 0.299 120.714 120.400 0.026 0.000 2.194 540 D HA -0.011 4.606 4.640 -0.038 0.000 0.204 540 D C 0.021 176.369 176.300 0.079 0.000 0.964 540 D CA 0.809 54.873 54.000 0.107 0.000 0.846 540 D CB 0.326 41.229 40.800 0.173 0.000 0.962 540 D HN 0.131 nan 8.370 nan 0.000 0.490 541 L N -0.299 120.800 121.223 -0.207 0.000 2.493 541 L HA 0.453 4.771 4.340 -0.038 0.000 0.265 541 L C -1.994 174.734 176.870 -0.237 0.000 0.954 541 L CA -0.660 54.029 54.840 -0.252 0.000 0.844 541 L CB 1.509 42.972 42.059 -0.993 0.000 1.302 541 L HN -0.129 nan 8.230 nan 0.000 0.405 542 W N 4.180 125.463 121.300 -0.027 0.000 2.819 542 W HA 0.765 5.402 4.660 -0.038 0.000 0.337 542 W C -1.156 175.470 176.519 0.179 0.000 1.077 542 W CA -0.850 56.519 57.345 0.041 0.000 1.226 542 W CB 1.975 31.430 29.460 -0.008 0.000 1.419 542 W HN 0.145 nan 8.180 nan 0.000 0.502 543 V N 2.646 122.775 119.914 0.358 0.000 2.483 543 V HA 0.695 4.792 4.120 -0.038 0.000 0.297 543 V C -0.083 176.213 176.094 0.337 0.000 1.027 543 V CA -0.798 61.697 62.300 0.324 0.000 0.855 543 V CB 1.351 33.278 31.823 0.173 0.000 0.995 543 V HN 0.599 nan 8.190 nan 0.000 0.424 544 T N 1.629 116.433 114.554 0.417 0.000 2.916 544 T HA 0.761 5.089 4.350 -0.038 0.000 0.292 544 T C -0.464 174.384 174.700 0.247 0.000 1.064 544 T CA -0.967 61.336 62.100 0.339 0.000 1.011 544 T CB 2.166 71.304 68.868 0.449 0.000 1.152 544 T HN 0.493 nan 8.240 nan 0.000 0.510 545 R N 0.785 121.387 120.500 0.171 0.000 2.390 545 R HA 0.353 4.670 4.340 -0.038 0.000 0.291 545 R C -0.829 175.544 176.300 0.121 0.000 1.070 545 R CA -0.947 55.233 56.100 0.133 0.000 1.014 545 R CB -0.481 29.871 30.300 0.087 0.000 1.007 545 R HN 0.785 nan 8.270 nan 0.000 0.466 546 Y N 2.957 123.264 120.300 0.012 0.000 2.578 546 Y HA 0.321 4.848 4.550 -0.038 0.000 0.339 546 Y C -0.750 175.107 175.900 -0.072 0.000 1.231 546 Y CA 0.802 58.880 58.100 -0.037 0.000 1.461 546 Y CB 0.585 39.001 38.460 -0.074 0.000 1.323 546 Y HN 0.740 nan 8.280 nan 0.000 0.590 547 A N 4.757 126.921 122.820 -1.093 0.000 2.491 547 A HA 0.250 4.548 4.320 -0.038 0.000 0.293 547 A C -0.048 176.880 177.584 -1.094 0.000 1.047 547 A CA -0.300 51.210 52.037 -0.877 0.000 0.735 547 A CB 0.397 19.115 19.000 -0.469 0.000 1.281 547 A HN 0.842 nan 8.150 nan 0.000 0.398 548 D N 1.829 121.709 120.400 -0.867 0.000 2.311 548 D HA -0.191 4.427 4.640 -0.038 0.000 0.212 548 D C 0.676 176.781 176.300 -0.325 0.000 0.972 548 D CA 1.640 55.356 54.000 -0.475 0.000 0.887 548 D CB 0.064 40.778 40.800 -0.143 0.000 0.915 548 D HN 0.580 nan 8.370 nan 0.000 0.497 549 D N 0.008 120.212 120.400 -0.327 0.000 2.349 549 D HA -0.067 4.550 4.640 -0.038 0.000 0.214 549 D C -0.181 175.928 176.300 -0.319 0.000 1.063 549 D CA -0.115 53.737 54.000 -0.246 0.000 0.847 549 D CB -0.451 40.251 40.800 -0.164 0.000 0.933 549 D HN 0.263 nan 8.370 nan 0.000 0.513 550 E N 0.866 120.790 120.200 -0.460 0.000 2.136 550 E HA 0.293 4.620 4.350 -0.038 0.000 0.246 550 E C 0.503 176.964 176.600 -0.232 0.000 1.017 550 E CA -0.249 55.790 56.400 -0.602 0.000 0.883 550 E CB 1.056 30.182 29.700 -0.956 0.000 1.199 550 E HN 0.113 nan 8.360 nan 0.000 0.447 551 R N 0.947 121.288 120.500 -0.265 0.000 2.175 551 R HA 0.106 4.423 4.340 -0.038 0.000 0.202 551 R C -0.127 175.870 176.300 -0.505 0.000 1.018 551 R CA 0.673 56.455 56.100 -0.531 0.000 1.029 551 R CB 0.519 30.171 30.300 -1.081 0.000 0.959 551 R HN 0.283 nan 8.270 nan 0.000 0.480 552 Y N -0.077 120.350 120.300 0.212 0.000 2.462 552 Y HA 0.296 4.823 4.550 -0.037 0.000 0.346 552 Y C -1.779 174.084 175.900 -0.062 0.000 0.976 552 Y CA -3.190 54.975 58.100 0.109 0.000 1.044 552 Y CB 1.303 39.722 38.460 -0.068 0.000 1.230 552 Y HN -0.150 nan 8.280 nan 0.000 0.455 553 P HA -0.101 nan 4.420 nan 0.000 0.225 553 P C 0.640 177.628 177.300 -0.519 0.000 1.148 553 P CA 1.490 64.199 63.100 -0.653 0.000 0.779 553 P CB 0.156 31.352 31.700 -0.839 0.000 0.780 554 T N -4.848 109.521 114.554 -0.307 0.000 3.044 554 T HA 0.512 4.839 4.350 -0.038 0.000 0.260 554 T C 0.878 175.400 174.700 -0.297 0.000 1.019 554 T CA 0.093 62.048 62.100 -0.241 0.000 0.921 554 T CB 0.028 68.827 68.868 -0.114 0.000 1.053 554 T HN 0.339 nan 8.240 nan 0.000 0.533 555 G N 1.423 110.101 108.800 -0.203 0.000 2.712 555 G HA2 -0.154 3.783 3.960 -0.038 0.000 0.683 555 G HA3 -0.154 3.783 3.960 -0.038 0.000 0.683 555 G C -0.196 174.658 174.900 -0.077 0.000 1.320 555 G CA -0.145 44.869 45.100 -0.143 0.000 0.847 555 G HN 0.168 nan 8.290 nan 0.000 0.553 556 D N -0.600 119.718 120.400 -0.137 0.000 2.194 556 D HA 0.037 4.654 4.640 -0.038 0.000 0.204 556 D C 0.668 176.492 176.300 -0.793 0.000 0.964 556 D CA 1.439 55.198 54.000 -0.402 0.000 0.846 556 D CB 0.107 40.564 40.800 -0.571 0.000 0.962 556 D HN 0.200 nan 8.370 nan 0.000 0.490 557 F N 0.613 120.481 119.950 -0.136 0.000 2.451 557 F HA 0.186 4.690 4.527 -0.038 0.000 0.367 557 F C 1.118 176.829 175.800 -0.149 0.000 1.100 557 F CA -0.589 57.309 58.000 -0.170 0.000 1.171 557 F CB 1.181 40.069 39.000 -0.187 0.000 1.405 557 F HN -0.353 nan 8.300 nan 0.000 0.482 558 V N 0.005 119.841 119.914 -0.130 0.000 2.379 558 V HA -0.207 3.890 4.120 -0.038 0.000 0.245 558 V C 1.339 177.299 176.094 -0.223 0.000 1.044 558 V CA 0.868 63.002 62.300 -0.277 0.000 1.036 558 V CB -0.503 31.046 31.823 -0.456 0.000 0.664 558 V HN 0.653 nan 8.190 nan 0.000 0.453 559 N N 1.326 119.947 118.700 -0.132 0.000 2.315 559 N HA -0.101 4.616 4.740 -0.038 0.000 0.270 559 N C 0.590 176.061 175.510 -0.065 0.000 1.329 559 N CA 0.770 53.766 53.050 -0.091 0.000 0.860 559 N CB -0.243 38.206 38.487 -0.064 0.000 1.095 559 N HN 0.507 nan 8.380 nan 0.000 0.487 560 Q N -0.182 119.578 119.800 -0.067 0.000 2.461 560 Q HA -0.314 4.004 4.340 -0.038 0.000 0.264 560 Q C -0.552 175.393 176.000 -0.092 0.000 1.085 560 Q CA 0.819 56.579 55.803 -0.072 0.000 1.006 560 Q CB -1.496 27.202 28.738 -0.066 0.000 1.437 560 Q HN 0.660 nan 8.270 nan 0.000 0.514 561 H N 0.320 119.297 119.070 -0.155 0.000 2.610 561 H HA 0.163 4.696 4.556 -0.038 0.000 0.336 561 H C 1.290 176.530 175.328 -0.147 0.000 1.087 561 H CA 0.921 56.886 56.048 -0.139 0.000 1.405 561 H CB 1.148 30.823 29.762 -0.145 0.000 1.460 561 H HN 0.292 nan 8.280 nan 0.000 0.538 562 S N 2.863 118.424 115.700 -0.231 0.000 2.399 562 S HA 0.079 4.526 4.470 -0.038 0.000 0.231 562 S C 0.966 175.571 174.600 0.009 0.000 1.022 562 S CA 0.595 58.729 58.200 -0.111 0.000 0.983 562 S CB 0.090 63.189 63.200 -0.169 0.000 0.803 562 S HN 0.999 nan 8.310 nan 0.000 0.480 563 G N -1.768 107.144 108.800 0.186 0.000 2.337 563 G HA2 0.491 4.429 3.960 -0.038 0.000 0.310 563 G HA3 0.491 4.429 3.960 -0.038 0.000 0.310 563 G C 0.347 175.275 174.900 0.046 0.000 1.534 563 G CA -0.111 45.031 45.100 0.069 0.000 0.982 563 G HN 1.374 nan 8.290 nan 0.000 0.672 564 G N -0.798 107.977 108.800 -0.042 0.000 2.180 564 G HA2 0.036 3.973 3.960 -0.038 0.000 0.263 564 G HA3 0.036 3.973 3.960 -0.038 0.000 0.263 564 G C 1.655 176.447 174.900 -0.180 0.000 0.989 564 G CA 1.766 46.813 45.100 -0.089 0.000 0.692 564 G HN 2.354 nan 8.290 nan 0.000 0.526 565 A N -0.618 122.026 122.820 -0.292 0.000 1.883 565 A HA 0.322 4.619 4.320 -0.038 0.000 0.217 565 A C 2.403 179.682 177.584 -0.509 0.000 1.186 565 A CA 2.413 54.173 52.037 -0.462 0.000 0.624 565 A CB -0.678 17.735 19.000 -0.977 0.000 0.822 565 A HN 1.641 nan 8.150 nan 0.000 0.444 566 G N -1.320 107.107 108.800 -0.622 0.000 2.992 566 G HA2 0.291 4.229 3.960 -0.038 0.000 0.195 566 G HA3 0.291 4.229 3.960 -0.038 0.000 0.195 566 G C 1.240 175.239 174.900 -1.502 0.000 2.032 566 G CA 0.214 44.673 45.100 -1.067 0.000 0.831 566 G HN 0.262 nan 8.290 nan 0.000 0.647 567 L N 1.478 121.958 121.223 -1.238 0.000 2.034 567 L HA -0.132 4.185 4.340 -0.038 0.000 0.217 567 L C -0.002 176.520 176.870 -0.579 0.000 1.077 567 L CA 1.756 55.959 54.840 -1.061 0.000 0.769 567 L CB -1.128 40.034 42.059 -1.496 0.000 0.890 567 L HN 0.255 nan 8.230 nan 0.000 0.435 568 P HA -0.149 nan 4.420 nan 0.000 0.218 568 P C 1.851 179.084 177.300 -0.112 0.000 1.148 568 P CA 1.416 64.449 63.100 -0.112 0.000 0.822 568 P CB 0.110 31.757 31.700 -0.088 0.000 0.784 569 S N -2.163 113.392 115.700 -0.242 0.000 2.362 569 S HA -0.122 4.325 4.470 -0.038 0.000 0.221 569 S C 1.741 176.358 174.600 0.028 0.000 1.032 569 S CA 0.818 58.947 58.200 -0.118 0.000 0.973 569 S CB -0.845 62.263 63.200 -0.152 0.000 0.849 569 S HN -0.020 nan 8.310 nan 0.000 0.465 570 Y N 1.809 122.048 120.300 -0.102 0.000 2.114 570 Y HA -0.029 4.498 4.550 -0.038 0.000 0.284 570 Y C 2.390 178.277 175.900 -0.023 0.000 1.143 570 Y CA -0.059 57.992 58.100 -0.081 0.000 1.135 570 Y CB -1.159 37.215 38.460 -0.144 0.000 0.980 570 Y HN 0.226 nan 8.280 nan 0.000 0.499 571 I N 0.197 120.857 120.570 0.150 0.000 2.264 571 I HA -0.290 3.857 4.170 -0.038 0.000 0.248 571 I C 2.469 178.649 176.117 0.105 0.000 1.111 571 I CA 1.527 62.916 61.300 0.149 0.000 1.382 571 I CB -1.574 36.554 38.000 0.213 0.000 1.060 571 I HN 0.162 nan 8.210 nan 0.000 0.418 572 A N -0.030 122.838 122.820 0.080 0.000 2.131 572 A HA -0.237 4.060 4.320 -0.038 0.000 0.220 572 A C 2.150 179.767 177.584 0.056 0.000 1.158 572 A CA 1.298 53.369 52.037 0.057 0.000 0.665 572 A CB -0.594 18.430 19.000 0.039 0.000 0.795 572 A HN 0.566 nan 8.150 nan 0.000 0.460 573 Q N -1.567 118.274 119.800 0.068 0.000 2.230 573 Q HA -0.092 4.226 4.340 -0.038 0.000 0.202 573 Q C 0.172 176.202 176.000 0.050 0.000 0.963 573 Q CA 0.540 56.376 55.803 0.055 0.000 0.866 573 Q CB 0.007 28.778 28.738 0.055 0.000 0.931 573 Q HN 0.620 nan 8.270 nan 0.000 0.452 574 D N 0.547 120.983 120.400 0.061 0.000 2.699 574 D HA -0.161 4.457 4.640 -0.038 0.000 0.239 574 D C -0.934 175.397 176.300 0.052 0.000 1.136 574 D CA 0.555 54.589 54.000 0.056 0.000 0.668 574 D CB -0.609 40.217 40.800 0.043 0.000 1.060 574 D HN 0.191 nan 8.370 nan 0.000 0.429 575 R N 0.271 120.807 120.500 0.059 0.000 2.637 575 R HA 0.357 4.675 4.340 -0.038 0.000 0.269 575 R C 0.188 176.524 176.300 0.060 0.000 1.089 575 R CA -0.489 55.643 56.100 0.054 0.000 1.177 575 R CB 0.385 30.717 30.300 0.054 0.000 1.091 575 R HN 0.178 nan 8.270 nan 0.000 0.540 576 D N 1.467 121.900 120.400 0.054 0.000 2.343 576 D HA 0.061 4.678 4.640 -0.038 0.000 0.255 576 D C 0.512 176.853 176.300 0.068 0.000 1.187 576 D CA -0.114 53.919 54.000 0.056 0.000 0.875 576 D CB 0.555 41.383 40.800 0.046 0.000 1.136 576 D HN 0.528 nan 8.370 nan 0.000 0.469 577 I N -0.097 120.517 120.570 0.074 0.000 4.081 577 I HA 0.343 4.491 4.170 -0.038 0.000 0.333 577 I C 0.270 176.436 176.117 0.081 0.000 1.413 577 I CA -0.468 60.884 61.300 0.087 0.000 1.110 577 I CB 0.426 38.488 38.000 0.104 0.000 1.082 577 I HN 0.102 nan 8.210 nan 0.000 0.402 578 D N 3.131 123.572 120.400 0.069 0.000 2.453 578 D HA 0.323 4.940 4.640 -0.038 0.000 0.223 578 D C 1.050 177.386 176.300 0.060 0.000 1.183 578 D CA 0.588 54.625 54.000 0.063 0.000 0.933 578 D CB 0.281 41.113 40.800 0.053 0.000 1.038 578 D HN 0.557 nan 8.370 nan 0.000 0.513 579 G N 3.257 112.096 108.800 0.066 0.000 2.370 579 G HA2 -0.175 3.763 3.960 -0.038 0.000 0.268 579 G HA3 -0.175 3.763 3.960 -0.038 0.000 0.268 579 G C -0.151 174.790 174.900 0.069 0.000 1.122 579 G CA -0.339 44.799 45.100 0.063 0.000 0.963 579 G HN 0.481 nan 8.290 nan 0.000 0.500 580 Q N -0.711 119.138 119.800 0.082 0.000 2.615 580 Q HA 0.385 4.702 4.340 -0.038 0.000 0.298 580 Q C -1.010 175.058 176.000 0.114 0.000 1.023 580 Q CA -0.931 54.925 55.803 0.088 0.000 0.768 580 Q CB 1.089 29.875 28.738 0.081 0.000 1.500 580 Q HN 0.250 nan 8.270 nan 0.000 0.441 581 D N 1.932 122.398 120.400 0.110 0.000 2.342 581 D HA 0.287 4.904 4.640 -0.038 0.000 0.260 581 D C -0.367 176.020 176.300 0.145 0.000 1.278 581 D CA 0.101 54.176 54.000 0.125 0.000 0.910 581 D CB -0.253 40.533 40.800 -0.023 0.000 1.079 581 D HN 0.438 nan 8.370 nan 0.000 0.496 582 I N 0.074 120.735 120.570 0.151 0.000 2.957 582 I HA 0.680 4.827 4.170 -0.038 0.000 0.310 582 I C -0.994 175.191 176.117 0.113 0.000 1.063 582 I CA -1.092 60.295 61.300 0.146 0.000 1.033 582 I CB 2.228 40.307 38.000 0.130 0.000 1.230 582 I HN -0.083 nan 8.210 nan 0.000 0.447 583 V N 3.599 123.575 119.914 0.104 0.000 2.638 583 V HA 0.428 4.525 4.120 -0.038 0.000 0.306 583 V C -0.194 175.869 176.094 -0.051 0.000 1.052 583 V CA -0.666 61.601 62.300 -0.055 0.000 0.885 583 V CB 1.855 33.579 31.823 -0.165 0.000 0.999 583 V HN 0.566 nan 8.190 nan 0.000 0.424 584 V N 3.678 123.508 119.914 -0.140 0.000 2.427 584 V HA 0.471 4.568 4.120 -0.038 0.000 0.286 584 V C -1.133 174.907 176.094 -0.090 0.000 1.034 584 V CA -0.464 61.833 62.300 -0.005 0.000 0.893 584 V CB 1.625 33.445 31.823 -0.005 0.000 0.982 584 V HN 0.924 nan 8.190 nan 0.000 0.452 585 W N 4.009 125.358 121.300 0.082 0.000 2.336 585 W HA 0.495 5.132 4.660 -0.038 0.000 0.315 585 W C -0.167 176.450 176.519 0.164 0.000 1.016 585 W CA -0.644 56.750 57.345 0.081 0.000 1.318 585 W CB 0.492 29.972 29.460 0.033 0.000 1.247 585 W HN 0.590 nan 8.180 nan 0.000 0.414 586 H N 1.790 120.950 119.070 0.150 0.000 2.519 586 H HA 0.468 5.002 4.556 -0.038 0.000 0.316 586 H C -0.266 175.242 175.328 0.301 0.000 1.065 586 H CA -0.245 55.853 56.048 0.083 0.000 1.264 586 H CB 0.914 30.518 29.762 -0.263 0.000 1.413 586 H HN 0.168 nan 8.280 nan 0.000 0.465 587 T N 7.478 122.058 114.554 0.044 0.000 2.780 587 T HA 0.397 4.724 4.350 -0.038 0.000 0.294 587 T C -0.936 173.672 174.700 -0.154 0.000 0.949 587 T CA -0.187 61.947 62.100 0.057 0.000 1.074 587 T CB -0.429 68.566 68.868 0.211 0.000 0.910 587 T HN 0.502 nan 8.240 nan 0.000 0.501 588 F N 0.145 119.984 119.950 -0.185 0.000 2.615 588 F HA 0.827 5.332 4.527 -0.037 0.000 0.312 588 F C -0.254 175.626 175.800 0.134 0.000 1.119 588 F CA -1.093 56.849 58.000 -0.096 0.000 0.979 588 F CB 1.029 39.928 39.000 -0.168 0.000 1.266 588 F HN 0.765 nan 8.300 nan 0.000 0.444 589 G N 2.079 110.976 108.800 0.160 0.000 2.663 589 G HA2 0.626 4.563 3.960 -0.038 0.000 0.299 589 G HA3 0.626 4.563 3.960 -0.038 0.000 0.299 589 G C -2.406 172.560 174.900 0.109 0.000 1.372 589 G CA -1.171 44.016 45.100 0.144 0.000 0.781 589 G HN 0.819 nan 8.290 nan 0.000 0.491 590 L N 0.394 121.638 121.223 0.035 0.000 2.329 590 L HA 0.594 4.911 4.340 -0.038 0.000 0.279 590 L C -0.177 176.522 176.870 -0.285 0.000 1.014 590 L CA -0.673 54.101 54.840 -0.110 0.000 0.814 590 L CB 2.360 44.274 42.059 -0.241 0.000 1.257 590 L HN 0.408 nan 8.230 nan 0.000 0.424 591 T N 0.818 115.215 114.554 -0.262 0.000 2.772 591 T HA 0.377 4.704 4.350 -0.038 0.000 0.288 591 T C -0.642 173.784 174.700 -0.455 0.000 0.994 591 T CA -0.434 61.423 62.100 -0.405 0.000 0.951 591 T CB 0.221 68.900 68.868 -0.315 0.000 0.933 591 T HN 0.418 nan 8.240 nan 0.000 0.447 592 H N 2.028 120.651 119.070 -0.744 0.000 2.481 592 H HA 0.388 4.921 4.556 -0.038 0.000 0.333 592 H C -0.953 173.832 175.328 -0.904 0.000 1.066 592 H CA -0.932 54.681 56.048 -0.725 0.000 1.209 592 H CB 0.986 30.362 29.762 -0.644 0.000 1.445 592 H HN 0.460 nan 8.280 nan 0.000 0.488 593 F N 3.723 123.539 119.950 -0.223 0.000 2.451 593 F HA 0.264 4.768 4.527 -0.039 0.000 0.367 593 F C -2.169 173.594 175.800 -0.062 0.000 1.100 593 F CA -2.643 55.131 58.000 -0.377 0.000 1.171 593 F CB 0.653 39.283 39.000 -0.616 0.000 1.405 593 F HN 0.389 nan 8.300 nan 0.000 0.482 594 P HA 0.053 nan 4.420 nan 0.000 0.263 594 P C -0.263 177.125 177.300 0.147 0.000 1.175 594 P CA 0.235 63.431 63.100 0.161 0.000 0.761 594 P CB 0.623 32.472 31.700 0.248 0.000 0.794 595 R N 1.613 122.165 120.500 0.087 0.000 2.758 595 R HA 0.340 4.658 4.340 -0.038 0.000 0.265 595 R C 1.191 177.540 176.300 0.082 0.000 1.016 595 R CA -1.012 55.129 56.100 0.068 0.000 1.040 595 R CB 0.430 30.754 30.300 0.040 0.000 1.152 595 R HN 0.098 nan 8.270 nan 0.000 0.503 596 V N 1.620 121.571 119.914 0.061 0.000 2.568 596 V HA -0.225 3.873 4.120 -0.038 0.000 0.253 596 V C 1.821 177.987 176.094 0.120 0.000 1.072 596 V CA 1.852 64.204 62.300 0.086 0.000 1.084 596 V CB -0.695 31.155 31.823 0.046 0.000 0.676 596 V HN 0.794 nan 8.190 nan 0.000 0.469 597 E N -0.416 119.829 120.200 0.074 0.000 2.511 597 E HA -0.135 4.192 4.350 -0.038 0.000 0.196 597 E C 0.887 177.518 176.600 0.052 0.000 1.066 597 E CA 0.547 56.981 56.400 0.055 0.000 0.871 597 E CB -0.314 29.400 29.700 0.024 0.000 0.863 597 E HN 0.556 nan 8.360 nan 0.000 0.520 598 D N -0.198 120.255 120.400 0.089 0.000 2.349 598 D HA -0.016 4.602 4.640 -0.038 0.000 0.215 598 D C -0.242 176.154 176.300 0.159 0.000 1.016 598 D CA 0.209 54.258 54.000 0.082 0.000 0.870 598 D CB 0.172 41.021 40.800 0.082 0.000 0.917 598 D HN 0.270 nan 8.370 nan 0.000 0.524 599 W N 2.432 123.730 121.300 -0.003 0.000 2.606 599 W HA 0.207 4.844 4.660 -0.040 0.000 0.332 599 W C -1.861 174.673 176.519 0.024 0.000 1.052 599 W CA -1.968 55.386 57.345 0.016 0.000 1.223 599 W CB 2.052 31.524 29.460 0.020 0.000 1.383 599 W HN -0.191 nan 8.180 nan 0.000 0.524 600 P HA 0.064 nan 4.420 nan 0.000 0.231 600 P C 0.042 176.897 177.300 -0.742 0.000 1.168 600 P CA 0.894 63.106 63.100 -1.479 0.000 0.779 600 P CB 1.447 32.599 31.700 -0.912 0.000 0.844 601 I N -0.486 119.828 120.570 -0.427 0.000 2.619 601 I HA 0.296 4.444 4.170 -0.038 0.000 0.292 601 I C -0.627 175.342 176.117 -0.246 0.000 1.100 601 I CA -1.627 59.420 61.300 -0.422 0.000 1.043 601 I CB 2.336 39.845 38.000 -0.818 0.000 1.239 601 I HN -0.316 nan 8.210 nan 0.000 0.420 602 M N 9.029 128.523 119.600 -0.177 0.000 2.217 602 M HA 0.340 4.797 4.480 -0.038 0.000 0.354 602 M C -2.342 173.895 176.300 -0.105 0.000 1.225 602 M CA -1.433 53.806 55.300 -0.102 0.000 1.137 602 M CB 0.334 32.893 32.600 -0.068 0.000 1.576 602 M HN 0.302 nan 8.290 nan 0.000 0.461 603 P HA 0.212 nan 4.420 nan 0.000 0.281 603 P C -0.571 176.708 177.300 -0.036 0.000 1.249 603 P CA -0.501 62.563 63.100 -0.060 0.000 0.810 603 P CB 0.803 32.475 31.700 -0.046 0.000 1.008 604 V N 2.436 122.342 119.914 -0.014 0.000 2.694 604 V HA -0.043 4.054 4.120 -0.038 0.000 0.306 604 V C 0.755 176.857 176.094 0.013 0.000 1.054 604 V CA 1.085 63.395 62.300 0.016 0.000 1.161 604 V CB -0.331 31.517 31.823 0.041 0.000 0.916 604 V HN 0.638 nan 8.190 nan 0.000 0.490 605 D N 2.598 123.020 120.400 0.036 0.000 2.481 605 D HA 0.648 5.266 4.640 -0.038 0.000 0.244 605 D C -0.234 176.100 176.300 0.057 0.000 1.057 605 D CA -0.227 53.813 54.000 0.067 0.000 0.848 605 D CB 2.155 43.044 40.800 0.147 0.000 1.388 605 D HN 0.735 nan 8.370 nan 0.000 0.475 606 T N -0.718 113.862 114.554 0.043 0.000 2.916 606 T HA 0.817 5.144 4.350 -0.038 0.000 0.292 606 T C -0.408 174.319 174.700 0.044 0.000 1.055 606 T CA -0.649 61.449 62.100 -0.004 0.000 1.009 606 T CB 1.299 70.137 68.868 -0.049 0.000 1.118 606 T HN 0.247 nan 8.240 nan 0.000 0.497 607 V N -1.309 118.593 119.914 -0.020 0.000 3.216 607 V HA 1.030 5.128 4.120 -0.038 0.000 0.302 607 V C 0.360 176.344 176.094 -0.183 0.000 1.286 607 V CA -0.312 62.023 62.300 0.058 0.000 1.048 607 V CB 1.217 33.137 31.823 0.163 0.000 1.081 607 V HN 1.583 nan 8.190 nan 0.000 0.442 608 G N 0.278 108.788 108.800 -0.484 0.000 2.356 608 G HA2 0.800 4.737 3.960 -0.038 0.000 0.281 608 G HA3 0.800 4.737 3.960 -0.038 0.000 0.281 608 G C -1.656 172.636 174.900 -1.013 0.000 1.246 608 G CA 0.240 44.867 45.100 -0.788 0.000 0.889 608 G HN 2.066 nan 8.290 nan 0.000 0.486 609 F N -1.223 118.333 119.950 -0.656 0.000 2.900 609 F HA 0.852 5.356 4.527 -0.038 0.000 0.321 609 F C -1.112 174.655 175.800 -0.055 0.000 1.160 609 F CA -0.873 56.944 58.000 -0.305 0.000 0.890 609 F CB 1.394 40.245 39.000 -0.248 0.000 1.334 609 F HN 0.877 nan 8.300 nan 0.000 0.459 610 K N 0.782 121.327 120.400 0.242 0.000 2.579 610 K HA 0.822 5.120 4.320 -0.038 0.000 0.284 610 K C -2.511 174.325 176.600 0.393 0.000 0.990 610 K CA -1.054 55.356 56.287 0.204 0.000 0.880 610 K CB 2.574 35.167 32.500 0.156 0.000 1.488 610 K HN 0.751 nan 8.250 nan 0.000 0.425 611 L N 1.395 122.852 121.223 0.388 0.000 2.385 611 L HA 0.575 4.893 4.340 -0.038 0.000 0.273 611 L C -0.640 176.491 176.870 0.435 0.000 0.990 611 L CA -0.564 54.535 54.840 0.432 0.000 0.821 611 L CB 2.093 44.436 42.059 0.473 0.000 1.279 611 L HN 0.567 nan 8.230 nan 0.000 0.412 612 R N 3.217 123.886 120.500 0.282 0.000 2.637 612 R HA 0.539 4.857 4.340 -0.038 0.000 0.291 612 R C -2.563 173.479 176.300 -0.430 0.000 0.963 612 R CA -1.919 54.214 56.100 0.055 0.000 0.901 612 R CB 1.701 32.081 30.300 0.133 0.000 1.160 612 R HN 0.302 nan 8.270 nan 0.000 0.457 613 P HA -0.056 nan 4.420 nan 0.000 0.265 613 P C -0.765 176.324 177.300 -0.353 0.000 1.193 613 P CA 0.243 62.717 63.100 -1.044 0.000 0.765 613 P CB 0.767 32.224 31.700 -0.405 0.000 0.823 614 E N 2.247 122.308 120.200 -0.232 0.000 2.675 614 E HA 0.442 4.769 4.350 -0.038 0.000 0.236 614 E C 0.694 177.301 176.600 0.011 0.000 1.059 614 E CA -0.368 55.999 56.400 -0.055 0.000 0.775 614 E CB -0.566 29.116 29.700 -0.029 0.000 1.356 614 E HN 0.666 nan 8.360 nan 0.000 0.403 615 G N 3.256 112.074 108.800 0.030 0.000 2.160 615 G HA2 -0.363 3.575 3.960 -0.038 0.000 0.251 615 G HA3 -0.363 3.575 3.960 -0.038 0.000 0.251 615 G C 0.485 175.398 174.900 0.022 0.000 1.008 615 G CA 0.408 45.527 45.100 0.031 0.000 0.724 615 G HN 0.544 nan 8.290 nan 0.000 0.514 616 F N 0.094 119.949 119.950 -0.158 0.000 2.187 616 F HA 0.467 4.971 4.527 -0.038 0.000 0.295 616 F C 1.357 176.902 175.800 -0.424 0.000 1.091 616 F CA 0.611 58.422 58.000 -0.315 0.000 1.308 616 F CB 0.029 38.752 39.000 -0.461 0.000 1.030 616 F HN 0.127 nan 8.300 nan 0.000 0.487 617 F N 0.303 120.269 119.950 0.027 0.000 2.410 617 F HA 0.227 4.731 4.527 -0.038 0.000 0.324 617 F C 1.379 177.140 175.800 -0.065 0.000 1.093 617 F CA -0.747 57.219 58.000 -0.056 0.000 1.028 617 F CB 0.300 39.285 39.000 -0.026 0.000 1.309 617 F HN -0.285 nan 8.300 nan 0.000 0.499 618 D N -0.144 120.352 120.400 0.159 0.000 2.350 618 D HA 0.091 4.709 4.640 -0.038 0.000 0.213 618 D C 0.265 176.598 176.300 0.055 0.000 1.031 618 D CA 0.538 54.576 54.000 0.063 0.000 0.861 618 D CB 0.316 41.135 40.800 0.033 0.000 0.926 618 D HN 0.504 nan 8.370 nan 0.000 0.520 619 R N -2.062 118.483 120.500 0.076 0.000 2.888 619 R HA 0.214 4.531 4.340 -0.038 0.000 0.277 619 R C -0.754 175.543 176.300 -0.006 0.000 0.981 619 R CA -0.761 55.354 56.100 0.025 0.000 0.841 619 R CB 0.316 30.618 30.300 0.003 0.000 1.405 619 R HN -0.167 nan 8.270 nan 0.000 0.472 620 S N 1.115 116.789 115.700 -0.044 0.000 2.575 620 S HA 0.103 4.551 4.470 -0.038 0.000 0.295 620 S C -1.265 173.226 174.600 -0.182 0.000 1.267 620 S CA -0.818 57.323 58.200 -0.100 0.000 1.074 620 S CB 0.449 63.614 63.200 -0.060 0.000 0.829 620 S HN 0.505 nan 8.310 nan 0.000 0.497 621 P HA 0.098 nan 4.420 nan 0.000 0.249 621 P C 0.533 177.720 177.300 -0.188 0.000 1.229 621 P CA 0.232 63.047 63.100 -0.476 0.000 0.788 621 P CB -0.191 30.735 31.700 -1.289 0.000 1.072 622 V N -3.992 115.859 119.914 -0.106 0.000 3.043 622 V HA 0.231 4.328 4.120 -0.038 0.000 0.357 622 V C 1.598 177.709 176.094 0.029 0.000 1.372 622 V CA -0.108 62.183 62.300 -0.015 0.000 1.214 622 V CB -0.777 31.061 31.823 0.025 0.000 1.224 622 V HN -0.116 nan 8.190 nan 0.000 0.507 623 L N 1.171 122.401 121.223 0.013 0.000 2.291 623 L HA 0.022 4.340 4.340 -0.038 0.000 0.214 623 L C 2.134 179.039 176.870 0.059 0.000 1.120 623 L CA 1.451 56.320 54.840 0.049 0.000 0.799 623 L CB -0.312 41.754 42.059 0.012 0.000 0.925 623 L HN 0.549 nan 8.230 nan 0.000 0.446 624 D N -0.518 119.899 120.400 0.027 0.000 2.340 624 D HA -0.017 4.600 4.640 -0.038 0.000 0.220 624 D C 0.672 176.980 176.300 0.012 0.000 1.039 624 D CA 0.026 54.038 54.000 0.019 0.000 0.866 624 D CB -0.256 40.544 40.800 0.000 0.000 0.913 624 D HN 0.005 nan 8.370 nan 0.000 0.523 625 V N 3.378 123.304 119.914 0.022 0.000 2.521 625 V HA 0.151 4.248 4.120 -0.038 0.000 0.286 625 V C -1.536 174.560 176.094 0.003 0.000 1.034 625 V CA -1.046 61.257 62.300 0.005 0.000 1.045 625 V CB 0.783 32.615 31.823 0.015 0.000 0.974 625 V HN 0.175 nan 8.190 nan 0.000 0.480 626 P HA 0.164 nan 4.420 nan 0.000 0.274 626 P C 0.629 177.902 177.300 -0.045 0.000 1.256 626 P CA -0.178 62.913 63.100 -0.016 0.000 0.795 626 P CB 1.020 32.713 31.700 -0.013 0.000 1.038 627 A N 1.111 123.900 122.820 -0.052 0.000 1.948 627 A HA -0.207 4.090 4.320 -0.038 0.000 0.220 627 A C 0.948 178.489 177.584 -0.072 0.000 1.177 627 A CA 1.273 53.258 52.037 -0.087 0.000 0.636 627 A CB -1.248 17.716 19.000 -0.059 0.000 0.815 627 A HN 0.750 nan 8.150 nan 0.000 0.449 628 N N 0.000 118.677 118.700 -0.039 0.000 1.763 628 N HA 0.000 4.717 4.740 -0.038 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667