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 1ivv_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.580 177.584 -0.006 0.000 1.274 9 A CA 0.000 52.035 52.037 -0.002 0.000 0.836 9 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 10 S N 2.956 118.660 115.700 0.006 0.000 2.548 10 S HA 0.530 4.979 4.470 -0.035 0.000 0.277 10 S C -1.265 173.317 174.600 -0.030 0.000 1.315 10 S CA -0.835 57.381 58.200 0.026 0.000 1.050 10 S CB 0.539 63.789 63.200 0.084 0.000 0.918 10 S HN 0.513 nan 8.310 nan 0.000 0.497 11 P HA 0.127 nan 4.420 nan 0.000 0.253 11 P C -0.020 176.871 177.300 -0.682 0.000 1.281 11 P CA 0.474 63.358 63.100 -0.359 0.000 0.792 11 P CB -0.216 31.233 31.700 -0.418 0.000 1.193 12 F N 0.041 119.922 119.950 -0.115 0.000 2.706 12 F HA 0.215 4.721 4.527 -0.035 0.000 0.313 12 F C 1.501 177.232 175.800 -0.114 0.000 1.096 12 F CA -0.721 57.166 58.000 -0.188 0.000 1.219 12 F CB 0.213 39.096 39.000 -0.194 0.000 1.051 12 F HN -0.191 nan 8.300 nan 0.000 0.568 13 R N 1.203 121.735 120.500 0.052 0.000 2.811 13 R HA 0.199 4.518 4.340 -0.035 0.000 0.265 13 R C -0.203 176.120 176.300 0.038 0.000 1.026 13 R CA -0.351 55.786 56.100 0.062 0.000 1.142 13 R CB 0.309 30.636 30.300 0.045 0.000 1.027 13 R HN 0.134 nan 8.270 nan 0.000 0.465 14 L N 1.518 122.780 121.223 0.064 0.000 2.456 14 L HA 0.155 4.474 4.340 -0.035 0.000 0.272 14 L C 0.721 177.631 176.870 0.068 0.000 1.189 14 L CA -0.311 54.571 54.840 0.069 0.000 0.846 14 L CB 0.692 42.795 42.059 0.073 0.000 1.111 14 L HN 0.837 nan 8.230 nan 0.000 0.475 15 A N 3.110 125.983 122.820 0.088 0.000 2.520 15 A HA 0.204 4.503 4.320 -0.035 0.000 0.245 15 A C 0.387 178.056 177.584 0.141 0.000 1.072 15 A CA 0.045 52.189 52.037 0.179 0.000 0.761 15 A CB 0.394 19.581 19.000 0.312 0.000 1.004 15 A HN 0.683 nan 8.150 nan 0.000 0.499 16 S N 1.325 117.101 115.700 0.126 0.000 2.617 16 S HA 0.450 4.900 4.470 -0.035 0.000 0.269 16 S C 1.502 176.127 174.600 0.041 0.000 1.292 16 S CA -0.038 58.201 58.200 0.066 0.000 1.010 16 S CB 0.901 64.129 63.200 0.047 0.000 0.944 16 S HN 1.378 nan 8.310 nan 0.000 0.536 17 A N 3.605 126.436 122.820 0.019 0.000 1.908 17 A HA 0.043 4.342 4.320 -0.035 0.000 0.218 17 A C 2.112 179.683 177.584 -0.022 0.000 1.181 17 A CA 1.981 54.019 52.037 0.001 0.000 0.627 17 A CB -1.586 17.414 19.000 0.000 0.000 0.818 17 A HN 1.052 nan 8.150 nan 0.000 0.445 18 G N -0.952 107.836 108.800 -0.020 0.000 2.470 18 G HA2 -0.156 3.783 3.960 -0.035 0.000 0.220 18 G HA3 -0.156 3.783 3.960 -0.035 0.000 0.220 18 G C 1.381 176.237 174.900 -0.073 0.000 1.121 18 G CA 0.927 46.005 45.100 -0.037 0.000 0.766 18 G HN 0.673 nan 8.290 nan 0.000 0.553 19 E N -0.292 119.860 120.200 -0.081 0.000 2.158 19 E HA -0.013 4.316 4.350 -0.035 0.000 0.191 19 E C 2.392 178.767 176.600 -0.375 0.000 0.982 19 E CA 0.115 56.401 56.400 -0.190 0.000 0.823 19 E CB 0.049 29.708 29.700 -0.069 0.000 0.766 19 E HN 0.305 nan 8.360 nan 0.000 0.468 20 I N 0.822 121.246 120.570 -0.243 0.000 2.163 20 I HA -0.192 3.958 4.170 -0.035 0.000 0.240 20 I C 2.304 178.310 176.117 -0.184 0.000 1.081 20 I CA 1.115 62.271 61.300 -0.239 0.000 1.353 20 I CB -1.301 36.641 38.000 -0.097 0.000 1.054 20 I HN -0.032 nan 8.210 nan 0.000 0.407 21 S N 0.488 116.117 115.700 -0.118 0.000 2.370 21 S HA -0.238 4.211 4.470 -0.035 0.000 0.226 21 S C 1.935 176.473 174.600 -0.103 0.000 1.033 21 S CA 1.595 59.745 58.200 -0.083 0.000 1.011 21 S CB -0.220 62.947 63.200 -0.055 0.000 0.852 21 S HN 0.395 nan 8.310 nan 0.000 0.457 22 E N 0.932 121.050 120.200 -0.137 0.000 2.110 22 E HA -0.092 4.237 4.350 -0.035 0.000 0.193 22 E C 1.846 178.351 176.600 -0.160 0.000 0.988 22 E CA 0.912 57.231 56.400 -0.135 0.000 0.804 22 E CB -0.210 29.406 29.700 -0.141 0.000 0.745 22 E HN 0.310 nan 8.360 nan 0.000 0.458 23 V N 0.586 120.354 119.914 -0.244 0.000 2.427 23 V HA -0.227 3.872 4.120 -0.035 0.000 0.248 23 V C 2.489 178.511 176.094 -0.120 0.000 1.051 23 V CA 1.982 64.149 62.300 -0.222 0.000 1.048 23 V CB -0.586 31.039 31.823 -0.331 0.000 0.666 23 V HN 0.354 nan 8.190 nan 0.000 0.456 24 Q N 0.554 120.293 119.800 -0.102 0.000 1.993 24 Q HA -0.177 4.142 4.340 -0.035 0.000 0.202 24 Q C 2.314 178.293 176.000 -0.035 0.000 0.984 24 Q CA 2.253 58.027 55.803 -0.048 0.000 0.837 24 Q CB -0.585 28.134 28.738 -0.032 0.000 0.902 24 Q HN 0.607 nan 8.270 nan 0.000 0.423 25 G N 1.024 109.797 108.800 -0.045 0.000 2.440 25 G HA2 -0.263 3.677 3.960 -0.035 0.000 0.218 25 G HA3 -0.263 3.677 3.960 -0.035 0.000 0.218 25 G C 1.411 176.293 174.900 -0.031 0.000 1.154 25 G CA 1.125 46.204 45.100 -0.034 0.000 0.767 25 G HN 0.399 nan 8.290 nan 0.000 0.552 26 I N 0.250 120.794 120.570 -0.043 0.000 2.226 26 I HA -0.130 4.019 4.170 -0.035 0.000 0.245 26 I C 2.748 178.853 176.117 -0.019 0.000 1.100 26 I CA 0.633 61.914 61.300 -0.032 0.000 1.374 26 I CB -0.223 37.751 38.000 -0.042 0.000 1.057 26 I HN 0.138 nan 8.210 nan 0.000 0.413 27 L N 0.664 121.875 121.223 -0.020 0.000 1.994 27 L HA -0.207 4.112 4.340 -0.035 0.000 0.208 27 L C 2.917 179.788 176.870 0.002 0.000 1.071 27 L CA 1.661 56.499 54.840 -0.004 0.000 0.745 27 L CB -0.721 41.338 42.059 -0.001 0.000 0.892 27 L HN 0.307 nan 8.230 nan 0.000 0.431 28 R N -0.532 119.969 120.500 0.001 0.000 2.083 28 R HA -0.147 4.172 4.340 -0.035 0.000 0.237 28 R C 2.020 178.321 176.300 0.001 0.000 1.137 28 R CA 1.962 58.066 56.100 0.006 0.000 0.951 28 R CB -1.455 28.850 30.300 0.007 0.000 0.851 28 R HN 0.145 nan 8.270 nan 0.000 0.434 29 T N 1.151 115.702 114.554 -0.004 0.000 2.759 29 T HA -0.088 4.241 4.350 -0.035 0.000 0.269 29 T C 1.912 176.611 174.700 -0.003 0.000 1.042 29 T CA 1.617 63.714 62.100 -0.005 0.000 1.140 29 T CB -0.255 68.607 68.868 -0.009 0.000 0.864 29 T HN 0.543 nan 8.240 nan 0.000 0.455 30 A N 0.364 123.183 122.820 -0.001 0.000 2.235 30 A HA 0.469 4.768 4.320 -0.035 0.000 0.208 30 A C 1.863 179.449 177.584 0.003 0.000 1.172 30 A CA 0.834 52.872 52.037 0.002 0.000 0.786 30 A CB -0.868 18.135 19.000 0.005 0.000 0.804 30 A HN 0.771 nan 8.150 nan 0.000 0.479 31 G N -1.161 107.641 108.800 0.003 0.000 2.198 31 G HA2 -0.230 3.709 3.960 -0.035 0.000 0.257 31 G HA3 -0.230 3.709 3.960 -0.035 0.000 0.257 31 G C 0.393 175.296 174.900 0.005 0.000 1.042 31 G CA 0.499 45.601 45.100 0.003 0.000 0.791 31 G HN 0.564 nan 8.290 nan 0.000 0.502 32 L N -1.256 119.973 121.223 0.009 0.000 2.728 32 L HA 0.499 4.818 4.340 -0.035 0.000 0.238 32 L C 0.963 177.843 176.870 0.016 0.000 1.143 32 L CA -0.046 54.801 54.840 0.012 0.000 0.937 32 L CB 0.688 42.758 42.059 0.018 0.000 1.225 32 L HN 0.194 nan 8.230 nan 0.000 0.507 33 L N 0.445 121.679 121.223 0.019 0.000 2.725 33 L HA 0.514 4.833 4.340 -0.035 0.000 0.270 33 L C 0.708 177.602 176.870 0.040 0.000 1.422 33 L CA -0.185 54.675 54.840 0.033 0.000 0.770 33 L CB 0.471 42.553 42.059 0.038 0.000 1.081 33 L HN -0.013 nan 8.230 nan 0.000 0.527 34 G N 0.553 109.370 108.800 0.027 0.000 2.611 34 G HA2 0.270 4.209 3.960 -0.035 0.000 0.273 34 G HA3 0.270 4.209 3.960 -0.035 0.000 0.273 34 G C -1.652 173.278 174.900 0.051 0.000 1.305 34 G CA -0.649 44.467 45.100 0.027 0.000 1.010 34 G HN 0.374 nan 8.290 nan 0.000 0.509 35 P HA -0.021 nan 4.420 nan 0.000 0.221 35 P C 1.183 178.532 177.300 0.082 0.000 1.145 35 P CA 0.927 64.062 63.100 0.060 0.000 0.795 35 P CB 0.315 32.030 31.700 0.024 0.000 0.775 36 E N -1.081 119.141 120.200 0.038 0.000 2.474 36 E HA 0.081 4.410 4.350 -0.035 0.000 0.195 36 E C 0.267 176.846 176.600 -0.035 0.000 1.039 36 E CA 0.363 56.765 56.400 0.003 0.000 0.881 36 E CB 0.089 29.769 29.700 -0.033 0.000 0.970 36 E HN 0.273 nan 8.360 nan 0.000 0.486 37 K N 1.547 121.949 120.400 0.003 0.000 2.143 37 K HA 0.353 4.652 4.320 -0.035 0.000 0.272 37 K C 0.304 176.887 176.600 -0.029 0.000 1.001 37 K CA -0.478 55.794 56.287 -0.024 0.000 0.915 37 K CB 1.404 33.909 32.500 0.008 0.000 1.047 37 K HN -0.183 nan 8.250 nan 0.000 0.458 38 R N 2.043 122.507 120.500 -0.061 0.000 2.574 38 R HA 0.418 4.737 4.340 -0.035 0.000 0.288 38 R C -0.163 176.115 176.300 -0.037 0.000 1.004 38 R CA -0.691 55.330 56.100 -0.131 0.000 0.895 38 R CB 1.133 31.381 30.300 -0.087 0.000 1.191 38 R HN 0.593 nan 8.270 nan 0.000 0.444 39 I N 2.592 123.112 120.570 -0.084 0.000 2.347 39 I HA 0.056 4.205 4.170 -0.035 0.000 0.294 39 I C 1.390 177.516 176.117 0.015 0.000 1.090 39 I CA 0.121 61.416 61.300 -0.009 0.000 1.314 39 I CB 1.325 39.299 38.000 -0.043 0.000 1.423 39 I HN 0.703 nan 8.210 nan 0.000 0.503 40 A N 6.811 129.706 122.820 0.125 0.000 2.072 40 A HA -0.012 4.287 4.320 -0.035 0.000 0.216 40 A C 0.357 178.081 177.584 0.233 0.000 1.156 40 A CA 0.926 53.057 52.037 0.158 0.000 0.701 40 A CB 0.126 19.251 19.000 0.208 0.000 0.816 40 A HN 0.693 nan 8.150 nan 0.000 0.458 41 Y N -2.201 118.141 120.300 0.070 0.000 2.521 41 Y HA 0.537 5.066 4.550 -0.035 0.000 0.328 41 Y C -1.915 173.909 175.900 -0.127 0.000 1.151 41 Y CA -1.258 56.802 58.100 -0.067 0.000 1.054 41 Y CB 1.074 39.415 38.460 -0.198 0.000 1.338 41 Y HN 0.165 nan 8.280 nan 0.000 0.453 42 L N 5.284 125.778 121.223 -1.215 0.000 2.562 42 L HA 0.953 5.272 4.340 -0.035 0.000 0.266 42 L C -1.315 175.052 176.870 -0.840 0.000 0.949 42 L CA -0.115 54.233 54.840 -0.818 0.000 0.879 42 L CB 1.947 43.832 42.059 -0.290 0.000 1.278 42 L HN 0.975 nan 8.230 nan 0.000 0.404 43 G N 3.013 111.475 108.800 -0.562 0.000 2.742 43 G HA2 0.458 4.397 3.960 -0.035 0.000 0.296 43 G HA3 0.458 4.397 3.960 -0.035 0.000 0.296 43 G C -1.691 173.065 174.900 -0.241 0.000 1.436 43 G CA -0.508 44.434 45.100 -0.263 0.000 0.928 43 G HN 0.541 nan 8.290 nan 0.000 0.520 44 V N 1.347 120.907 119.914 -0.590 0.000 2.843 44 V HA 0.471 4.570 4.120 -0.035 0.000 0.305 44 V C -0.332 175.500 176.094 -0.436 0.000 1.065 44 V CA -0.291 61.379 62.300 -1.050 0.000 1.116 44 V CB 0.966 31.974 31.823 -1.359 0.000 0.968 44 V HN 0.532 nan 8.190 nan 0.000 0.487 45 L N 5.677 126.684 121.223 -0.360 0.000 2.272 45 L HA 0.503 4.823 4.340 -0.035 0.000 0.289 45 L C -0.116 176.622 176.870 -0.221 0.000 1.032 45 L CA 0.078 54.808 54.840 -0.184 0.000 0.810 45 L CB 0.940 42.936 42.059 -0.105 0.000 1.205 45 L HN 0.709 nan 8.230 nan 0.000 0.422 46 D N 4.824 125.118 120.400 -0.177 0.000 2.283 46 D HA 0.352 4.971 4.640 -0.035 0.000 0.248 46 D C -1.978 174.197 176.300 -0.209 0.000 1.072 46 D CA -0.756 53.082 54.000 -0.272 0.000 0.929 46 D CB 0.435 41.059 40.800 -0.292 0.000 1.182 46 D HN 0.358 nan 8.370 nan 0.000 0.433 47 P HA -0.074 nan 4.420 nan 0.000 0.261 47 P C -0.796 176.466 177.300 -0.063 0.000 1.140 47 P CA 0.104 63.087 63.100 -0.194 0.000 0.757 47 P CB 0.124 31.662 31.700 -0.270 0.000 0.735 48 A N 5.039 127.832 122.820 -0.044 0.000 2.267 48 A HA 0.282 4.581 4.320 -0.035 0.000 0.271 48 A C 0.677 178.247 177.584 -0.023 0.000 1.131 48 A CA -0.395 51.635 52.037 -0.011 0.000 0.818 48 A CB 0.257 19.253 19.000 -0.008 0.000 1.118 48 A HN 0.441 nan 8.150 nan 0.000 0.501 49 R N -0.196 120.279 120.500 -0.041 0.000 2.458 49 R HA 0.366 4.685 4.340 -0.035 0.000 0.303 49 R C 0.587 176.861 176.300 -0.043 0.000 1.013 49 R CA 0.940 56.982 56.100 -0.097 0.000 1.026 49 R CB -0.348 29.857 30.300 -0.158 0.000 0.948 49 R HN 0.961 nan 8.270 nan 0.000 0.417 50 G N -0.169 108.621 108.800 -0.017 0.000 3.111 50 G HA2 0.551 4.490 3.960 -0.035 0.000 0.158 50 G HA3 0.551 4.490 3.960 -0.035 0.000 0.158 50 G C -0.545 174.375 174.900 0.035 0.000 1.161 50 G CA 0.493 45.597 45.100 0.007 0.000 1.025 50 G HN 0.564 nan 8.290 nan 0.000 0.619 51 A N -2.610 120.235 122.820 0.043 0.000 3.540 51 A HA 0.411 4.710 4.320 -0.035 0.000 0.195 51 A C 1.580 179.189 177.584 0.042 0.000 1.308 51 A CA 1.305 53.375 52.037 0.056 0.000 1.221 51 A CB -0.885 18.146 19.000 0.052 0.000 0.893 51 A HN 2.008 nan 8.150 nan 0.000 0.419 52 G N 0.875 109.692 108.800 0.028 0.000 3.453 52 G HA2 0.433 4.372 3.960 -0.035 0.000 0.263 52 G HA3 0.433 4.372 3.960 -0.035 0.000 0.263 52 G C 0.190 175.099 174.900 0.014 0.000 1.060 52 G CA 0.992 46.104 45.100 0.021 0.000 0.793 52 G HN 0.577 nan 8.290 nan 0.000 0.532 53 S N 0.700 116.408 115.700 0.014 0.000 2.481 53 S HA 0.233 4.682 4.470 -0.035 0.000 0.282 53 S C 0.509 175.109 174.600 0.000 0.000 1.243 53 S CA -0.011 58.191 58.200 0.004 0.000 1.078 53 S CB 1.711 64.912 63.200 0.001 0.000 0.916 53 S HN 0.285 nan 8.310 nan 0.000 0.495 54 E N 1.604 121.802 120.200 -0.004 0.000 2.514 54 E HA 0.277 4.606 4.350 -0.035 0.000 0.215 54 E C 0.604 177.195 176.600 -0.015 0.000 0.946 54 E CA -0.072 56.323 56.400 -0.008 0.000 1.038 54 E CB 0.428 30.126 29.700 -0.003 0.000 1.069 54 E HN 0.753 nan 8.360 nan 0.000 0.503 55 A N 2.142 124.953 122.820 -0.015 0.000 2.526 55 A HA -0.076 4.223 4.320 -0.035 0.000 0.287 55 A C 0.360 177.928 177.584 -0.028 0.000 1.232 55 A CA 0.212 52.239 52.037 -0.017 0.000 0.900 55 A CB -0.557 18.434 19.000 -0.014 0.000 1.077 55 A HN 0.123 nan 8.150 nan 0.000 0.535 56 E N 2.815 122.998 120.200 -0.028 0.000 1.833 56 E HA -0.020 4.309 4.350 -0.035 0.000 0.258 56 E C -0.936 175.646 176.600 -0.030 0.000 1.257 56 E CA -0.055 56.322 56.400 -0.039 0.000 1.003 56 E CB 0.015 29.696 29.700 -0.031 0.000 1.068 56 E HN 0.557 nan 8.360 nan 0.000 0.422 57 D N 3.926 124.304 120.400 -0.037 0.000 2.477 57 D HA 0.125 4.744 4.640 -0.035 0.000 0.239 57 D C -0.555 175.730 176.300 -0.024 0.000 1.102 57 D CA -0.679 53.309 54.000 -0.019 0.000 0.901 57 D CB 0.273 41.064 40.800 -0.015 0.000 1.026 57 D HN 0.185 nan 8.370 nan 0.000 0.515 58 R N 2.736 123.237 120.500 0.001 0.000 2.296 58 R HA 0.342 4.661 4.340 -0.035 0.000 0.323 58 R C -0.136 176.232 176.300 0.113 0.000 1.067 58 R CA 0.017 56.132 56.100 0.024 0.000 0.946 58 R CB 0.207 30.558 30.300 0.085 0.000 0.991 58 R HN 0.317 nan 8.270 nan 0.000 0.448 59 R N 3.448 123.979 120.500 0.053 0.000 2.778 59 R HA 0.474 4.794 4.340 -0.035 0.000 0.277 59 R C -1.059 175.316 176.300 0.124 0.000 0.977 59 R CA -0.738 55.442 56.100 0.133 0.000 0.950 59 R CB 1.489 31.814 30.300 0.043 0.000 1.165 59 R HN 0.329 nan 8.270 nan 0.000 0.474 60 F N 0.284 120.215 119.950 -0.030 0.000 2.563 60 F HA 0.487 4.993 4.527 -0.035 0.000 0.316 60 F C 0.244 176.032 175.800 -0.021 0.000 1.076 60 F CA -0.841 57.135 58.000 -0.041 0.000 0.921 60 F CB 1.901 40.864 39.000 -0.061 0.000 1.209 60 F HN 0.171 nan 8.300 nan 0.000 0.462 61 R N 1.683 122.266 120.500 0.138 0.000 2.532 61 R HA 0.880 5.199 4.340 -0.035 0.000 0.295 61 R C -1.852 174.481 176.300 0.056 0.000 0.968 61 R CA -0.558 55.611 56.100 0.115 0.000 0.916 61 R CB 1.554 31.926 30.300 0.120 0.000 1.124 61 R HN 0.551 nan 8.270 nan 0.000 0.463 62 V N 4.099 124.071 119.914 0.097 0.000 2.888 62 V HA 0.484 4.583 4.120 -0.035 0.000 0.309 62 V C -1.232 175.054 176.094 0.320 0.000 1.114 62 V CA -0.870 61.478 62.300 0.080 0.000 0.940 62 V CB 2.030 33.899 31.823 0.077 0.000 1.021 62 V HN 0.566 nan 8.190 nan 0.000 0.426 63 F N 3.854 123.958 119.950 0.256 0.000 2.375 63 F HA 0.616 5.122 4.527 -0.035 0.000 0.361 63 F C 0.107 175.997 175.800 0.150 0.000 1.117 63 F CA -1.648 56.502 58.000 0.250 0.000 1.037 63 F CB 1.341 40.544 39.000 0.338 0.000 1.192 63 F HN 0.231 nan 8.300 nan 0.000 0.452 64 I N 4.219 124.962 120.570 0.287 0.000 2.312 64 I HA 0.175 4.324 4.170 -0.035 0.000 0.290 64 I C -0.135 176.061 176.117 0.132 0.000 1.008 64 I CA -0.656 60.740 61.300 0.161 0.000 1.226 64 I CB 1.077 39.134 38.000 0.095 0.000 1.371 64 I HN 0.502 nan 8.210 nan 0.000 0.468 65 H N 6.160 125.241 119.070 0.017 0.000 2.482 65 H HA 0.311 4.846 4.556 -0.035 0.000 0.344 65 H C -1.036 174.272 175.328 -0.033 0.000 1.151 65 H CA -0.351 55.682 56.048 -0.025 0.000 1.300 65 H CB 1.354 31.092 29.762 -0.039 0.000 1.494 65 H HN 0.475 nan 8.280 nan 0.000 0.542 66 D N 3.970 123.859 120.400 -0.852 0.000 2.440 66 D HA 0.108 4.727 4.640 -0.035 0.000 0.239 66 D C 0.630 176.459 176.300 -0.785 0.000 1.084 66 D CA -0.409 53.225 54.000 -0.610 0.000 0.843 66 D CB 1.515 42.144 40.800 -0.285 0.000 1.097 66 D HN 0.440 nan 8.370 nan 0.000 0.531 67 V N 2.988 122.610 119.914 -0.486 0.000 2.688 67 V HA -0.168 3.931 4.120 -0.035 0.000 0.256 67 V C 1.954 177.981 176.094 -0.113 0.000 1.084 67 V CA 1.477 63.655 62.300 -0.204 0.000 1.103 67 V CB -0.170 31.617 31.823 -0.060 0.000 0.688 67 V HN 0.482 nan 8.190 nan 0.000 0.480 68 S N -0.347 115.278 115.700 -0.125 0.000 2.631 68 S HA 0.305 4.754 4.470 -0.035 0.000 0.217 68 S C 1.592 176.150 174.600 -0.071 0.000 0.958 68 S CA 0.673 58.828 58.200 -0.074 0.000 0.920 68 S CB 0.369 63.532 63.200 -0.061 0.000 0.776 68 S HN 0.869 nan 8.310 nan 0.000 0.517 69 G N 1.303 110.048 108.800 -0.092 0.000 2.143 69 G HA2 -0.211 3.729 3.960 -0.035 0.000 0.249 69 G HA3 -0.211 3.729 3.960 -0.035 0.000 0.249 69 G C 0.137 174.996 174.900 -0.067 0.000 0.981 69 G CA -0.031 45.034 45.100 -0.059 0.000 0.665 69 G HN 0.834 nan 8.290 nan 0.000 0.528 70 A N 0.213 122.978 122.820 -0.092 0.000 2.354 70 A HA 0.717 5.016 4.320 -0.035 0.000 0.269 70 A C 0.946 178.480 177.584 -0.083 0.000 1.109 70 A CA -0.244 51.747 52.037 -0.077 0.000 0.800 70 A CB 0.332 19.287 19.000 -0.074 0.000 1.045 70 A HN 0.526 nan 8.150 nan 0.000 0.489 71 R N 1.965 122.424 120.500 -0.068 0.000 2.478 71 R HA -0.013 4.306 4.340 -0.035 0.000 0.281 71 R C -2.040 174.216 176.300 -0.074 0.000 0.939 71 R CA -0.145 55.912 56.100 -0.073 0.000 1.120 71 R CB -0.048 30.210 30.300 -0.070 0.000 0.885 71 R HN 0.599 nan 8.270 nan 0.000 0.415 72 P HA 0.098 nan 4.420 nan 0.000 0.279 72 P C -1.022 176.237 177.300 -0.069 0.000 1.276 72 P CA -0.320 62.746 63.100 -0.057 0.000 0.801 72 P CB 1.005 32.680 31.700 -0.041 0.000 1.127 73 Q N -0.996 118.793 119.800 -0.018 0.000 2.456 73 Q HA 0.389 4.708 4.340 -0.035 0.000 0.283 73 Q C -0.944 175.120 176.000 0.106 0.000 1.084 73 Q CA -0.706 55.104 55.803 0.011 0.000 0.801 73 Q CB 2.474 31.231 28.738 0.032 0.000 1.434 73 Q HN 0.434 nan 8.270 nan 0.000 0.419 74 E N 1.488 121.775 120.200 0.144 0.000 2.114 74 E HA 0.446 4.775 4.350 -0.035 0.000 0.266 74 E C -1.498 175.246 176.600 0.239 0.000 0.896 74 E CA -0.440 56.156 56.400 0.326 0.000 0.750 74 E CB 1.298 31.214 29.700 0.360 0.000 1.121 74 E HN 0.304 nan 8.360 nan 0.000 0.413 75 V N 2.994 123.052 119.914 0.241 0.000 2.769 75 V HA 0.478 4.577 4.120 -0.035 0.000 0.312 75 V C -0.219 175.964 176.094 0.148 0.000 1.061 75 V CA -0.807 61.586 62.300 0.155 0.000 0.931 75 V CB 2.135 34.026 31.823 0.113 0.000 1.010 75 V HN 0.668 nan 8.190 nan 0.000 0.433 76 T N 3.286 117.908 114.554 0.113 0.000 2.815 76 T HA 0.577 4.907 4.350 -0.035 0.000 0.289 76 T C -0.479 174.271 174.700 0.084 0.000 1.000 76 T CA -0.434 61.729 62.100 0.105 0.000 0.958 76 T CB 1.444 70.366 68.868 0.089 0.000 0.944 76 T HN 0.840 nan 8.240 nan 0.000 0.442 77 V N 1.379 121.349 119.914 0.094 0.000 2.628 77 V HA 0.877 4.976 4.120 -0.035 0.000 0.306 77 V C -0.016 176.131 176.094 0.088 0.000 1.045 77 V CA -0.757 61.583 62.300 0.066 0.000 0.905 77 V CB 2.018 33.856 31.823 0.025 0.000 0.997 77 V HN 0.804 nan 8.190 nan 0.000 0.436 78 S N 3.814 119.548 115.700 0.057 0.000 2.410 78 S HA 0.341 4.790 4.470 -0.035 0.000 0.304 78 S C 0.633 175.257 174.600 0.041 0.000 1.095 78 S CA -0.251 57.986 58.200 0.062 0.000 1.089 78 S CB 0.991 64.213 63.200 0.036 0.000 0.968 78 S HN 0.908 nan 8.310 nan 0.000 0.480 79 V N 5.197 125.149 119.914 0.063 0.000 2.970 79 V HA -0.070 4.029 4.120 -0.035 0.000 0.260 79 V C 2.398 178.498 176.094 0.009 0.000 1.100 79 V CA 2.059 64.355 62.300 -0.007 0.000 1.122 79 V CB -0.895 30.897 31.823 -0.051 0.000 0.721 79 V HN 0.898 nan 8.190 nan 0.000 0.483 80 T N 0.500 115.073 114.554 0.032 0.000 2.732 80 T HA -0.090 4.239 4.350 -0.035 0.000 0.261 80 T C 1.617 176.321 174.700 0.006 0.000 1.040 80 T CA 1.437 63.547 62.100 0.017 0.000 1.145 80 T CB -0.219 68.659 68.868 0.017 0.000 0.866 80 T HN 0.412 nan 8.240 nan 0.000 0.427 81 N N 0.353 119.057 118.700 0.007 0.000 2.336 81 N HA 0.171 4.890 4.740 -0.035 0.000 0.189 81 N C 1.105 176.614 175.510 -0.002 0.000 1.113 81 N CA 0.452 53.504 53.050 0.002 0.000 0.858 81 N CB 0.298 38.788 38.487 0.005 0.000 0.970 81 N HN 0.501 nan 8.380 nan 0.000 0.471 82 G N 1.636 110.433 108.800 -0.005 0.000 2.338 82 G HA2 -0.267 3.672 3.960 -0.035 0.000 0.296 82 G HA3 -0.267 3.672 3.960 -0.035 0.000 0.296 82 G C 0.124 175.020 174.900 -0.007 0.000 1.040 82 G CA 1.039 46.131 45.100 -0.013 0.000 1.004 82 G HN 0.499 nan 8.290 nan 0.000 0.509 83 T N -3.933 110.622 114.554 0.000 0.000 2.901 83 T HA 0.691 5.020 4.350 -0.035 0.000 0.293 83 T C -0.374 174.333 174.700 0.012 0.000 1.084 83 T CA -0.655 61.448 62.100 0.005 0.000 1.008 83 T CB 2.710 71.582 68.868 0.008 0.000 1.170 83 T HN 0.760 nan 8.240 nan 0.000 0.509 84 V N 2.819 122.741 119.914 0.014 0.000 2.348 84 V HA 0.308 4.407 4.120 -0.035 0.000 0.270 84 V C 1.133 177.242 176.094 0.026 0.000 1.037 84 V CA -0.454 61.859 62.300 0.022 0.000 0.872 84 V CB 0.286 32.122 31.823 0.021 0.000 1.002 84 V HN 0.879 nan 8.190 nan 0.000 0.464 85 I N 2.872 123.462 120.570 0.034 0.000 2.584 85 I HA 0.035 4.184 4.170 -0.035 0.000 0.255 85 I C 1.095 177.234 176.117 0.036 0.000 1.145 85 I CA 1.071 62.391 61.300 0.033 0.000 1.462 85 I CB 0.320 38.342 38.000 0.036 0.000 1.102 85 I HN 0.614 nan 8.210 nan 0.000 0.433 86 S N -0.426 115.302 115.700 0.047 0.000 2.547 86 S HA 0.804 5.253 4.470 -0.035 0.000 0.270 86 S C -1.695 172.942 174.600 0.061 0.000 1.150 86 S CA -0.375 57.856 58.200 0.052 0.000 0.850 86 S CB 1.846 65.082 63.200 0.061 0.000 1.118 86 S HN 0.144 nan 8.310 nan 0.000 0.461 87 A N 2.442 125.296 122.820 0.056 0.000 2.513 87 A HA 0.641 4.940 4.320 -0.035 0.000 0.285 87 A C -1.764 175.848 177.584 0.046 0.000 1.047 87 A CA -0.390 51.682 52.037 0.058 0.000 0.864 87 A CB 0.944 19.969 19.000 0.042 0.000 1.373 87 A HN 0.857 nan 8.150 nan 0.000 0.403 88 V N 2.724 122.670 119.914 0.053 0.000 2.577 88 V HA 0.375 4.474 4.120 -0.035 0.000 0.303 88 V C 0.015 176.110 176.094 0.002 0.000 1.042 88 V CA -0.664 61.653 62.300 0.028 0.000 0.872 88 V CB 1.886 33.732 31.823 0.039 0.000 0.998 88 V HN 0.931 nan 8.190 nan 0.000 0.423 89 E N 3.915 124.103 120.200 -0.020 0.000 2.383 89 E HA 0.446 4.775 4.350 -0.035 0.000 0.264 89 E C -1.096 175.452 176.600 -0.087 0.000 1.050 89 E CA -0.260 56.109 56.400 -0.050 0.000 0.896 89 E CB 1.424 31.096 29.700 -0.045 0.000 0.982 89 E HN 0.428 nan 8.360 nan 0.000 0.424 90 L N 1.757 122.892 121.223 -0.146 0.000 2.334 90 L HA 0.288 4.607 4.340 -0.035 0.000 0.276 90 L C 0.223 176.978 176.870 -0.191 0.000 1.014 90 L CA -0.710 53.997 54.840 -0.221 0.000 0.815 90 L CB 1.356 43.153 42.059 -0.437 0.000 1.268 90 L HN 0.399 nan 8.230 nan 0.000 0.428 91 D N 1.183 121.481 120.400 -0.171 0.000 2.518 91 D HA 0.049 4.668 4.640 -0.035 0.000 0.230 91 D C 1.301 177.500 176.300 -0.168 0.000 1.138 91 D CA -0.122 53.796 54.000 -0.137 0.000 0.964 91 D CB 1.163 41.905 40.800 -0.097 0.000 1.011 91 D HN 0.736 nan 8.370 nan 0.000 0.517 92 T N 0.255 114.692 114.554 -0.196 0.000 2.778 92 T HA -0.204 4.125 4.350 -0.035 0.000 0.269 92 T C 1.783 176.385 174.700 -0.162 0.000 1.050 92 T CA 1.165 63.139 62.100 -0.210 0.000 1.137 92 T CB -0.071 68.680 68.868 -0.195 0.000 0.860 92 T HN 0.245 nan 8.240 nan 0.000 0.468 93 A N 0.775 123.513 122.820 -0.136 0.000 2.168 93 A HA 0.565 4.864 4.320 -0.035 0.000 0.215 93 A C 2.529 180.023 177.584 -0.149 0.000 1.152 93 A CA 1.314 53.272 52.037 -0.132 0.000 0.716 93 A CB -0.846 18.092 19.000 -0.103 0.000 0.794 93 A HN 0.779 nan 8.150 nan 0.000 0.465 94 A N -0.811 121.928 122.820 -0.134 0.000 1.944 94 A HA 0.145 4.444 4.320 -0.035 0.000 0.209 94 A C 2.132 179.655 177.584 -0.102 0.000 1.328 94 A CA 1.613 53.579 52.037 -0.118 0.000 0.693 94 A CB -0.677 18.277 19.000 -0.077 0.000 0.994 94 A HN 0.636 nan 8.150 nan 0.000 0.485 95 T N -3.046 111.472 114.554 -0.060 0.000 3.086 95 T HA 0.470 4.799 4.350 -0.035 0.000 0.250 95 T C 0.887 175.689 174.700 0.171 0.000 1.074 95 T CA 0.868 63.013 62.100 0.075 0.000 0.988 95 T CB -0.246 68.638 68.868 0.027 0.000 0.988 95 T HN 1.937 nan 8.240 nan 0.000 0.530 96 G N 1.016 109.816 108.800 -0.001 0.000 2.663 96 G HA2 0.007 3.946 3.960 -0.035 0.000 0.686 96 G HA3 0.007 3.946 3.960 -0.035 0.000 0.686 96 G C -1.087 173.743 174.900 -0.116 0.000 1.246 96 G CA -1.051 44.062 45.100 0.022 0.000 0.795 96 G HN 0.292 nan 8.290 nan 0.000 0.627 97 E N -0.368 119.774 120.200 -0.096 0.000 2.318 97 E HA 0.570 4.899 4.350 -0.035 0.000 0.265 97 E C 0.688 177.235 176.600 -0.088 0.000 1.069 97 E CA -0.712 55.601 56.400 -0.144 0.000 0.893 97 E CB 1.309 30.927 29.700 -0.136 0.000 1.076 97 E HN 0.373 nan 8.360 nan 0.000 0.414 98 L N 2.172 123.319 121.223 -0.126 0.000 2.476 98 L HA 0.195 4.514 4.340 -0.035 0.000 0.255 98 L C -2.018 174.842 176.870 -0.016 0.000 1.218 98 L CA -1.339 53.496 54.840 -0.008 0.000 0.819 98 L CB -0.735 41.312 42.059 -0.020 0.000 1.119 98 L HN 0.281 nan 8.230 nan 0.000 0.485 99 P HA 0.033 nan 4.420 nan 0.000 0.267 99 P C -0.930 176.313 177.300 -0.094 0.000 1.200 99 P CA -0.281 62.831 63.100 0.020 0.000 0.772 99 P CB 0.370 32.145 31.700 0.125 0.000 0.855 100 V N 3.865 123.673 119.914 -0.177 0.000 2.655 100 V HA 0.003 4.103 4.120 -0.035 0.000 0.300 100 V C 0.745 176.644 176.094 -0.325 0.000 1.044 100 V CA 0.147 62.209 62.300 -0.396 0.000 1.095 100 V CB -0.297 31.099 31.823 -0.711 0.000 0.952 100 V HN 0.314 nan 8.190 nan 0.000 0.485 101 L N 3.186 124.184 121.223 -0.376 0.000 2.375 101 L HA 0.340 4.659 4.340 -0.035 0.000 0.271 101 L C 1.559 178.325 176.870 -0.174 0.000 1.107 101 L CA -0.160 54.565 54.840 -0.192 0.000 0.806 101 L CB 0.675 42.638 42.059 -0.160 0.000 1.146 101 L HN 0.692 nan 8.230 nan 0.000 0.447 102 E N 1.263 121.532 120.200 0.114 0.000 2.153 102 E HA -0.239 4.090 4.350 -0.035 0.000 0.194 102 E C 1.661 178.394 176.600 0.223 0.000 0.988 102 E CA 1.670 58.286 56.400 0.361 0.000 0.811 102 E CB 0.269 30.186 29.700 0.362 0.000 0.746 102 E HN 0.795 nan 8.360 nan 0.000 0.466 103 E N 0.382 120.638 120.200 0.092 0.000 2.110 103 E HA -0.217 4.112 4.350 -0.035 0.000 0.193 103 E C 1.652 178.272 176.600 0.033 0.000 0.988 103 E CA 1.171 57.619 56.400 0.080 0.000 0.804 103 E CB -0.225 29.514 29.700 0.064 0.000 0.745 103 E HN 0.299 nan 8.360 nan 0.000 0.458 104 E N 0.096 120.246 120.200 -0.082 0.000 2.150 104 E HA -0.116 4.213 4.350 -0.035 0.000 0.193 104 E C 1.731 178.281 176.600 -0.083 0.000 0.985 104 E CA 0.875 57.190 56.400 -0.142 0.000 0.814 104 E CB -0.187 29.337 29.700 -0.293 0.000 0.752 104 E HN 0.256 nan 8.360 nan 0.000 0.466 105 F N 1.944 121.921 119.950 0.045 0.000 2.134 105 F HA -0.149 4.357 4.527 -0.035 0.000 0.299 105 F C 2.148 177.985 175.800 0.063 0.000 1.097 105 F CA 1.200 59.239 58.000 0.065 0.000 1.264 105 F CB -0.550 38.521 39.000 0.118 0.000 1.001 105 F HN 0.005 nan 8.300 nan 0.000 0.479 106 E N -0.484 119.870 120.200 0.257 0.000 2.118 106 E HA -0.191 4.139 4.350 -0.035 0.000 0.195 106 E C 2.347 179.008 176.600 0.102 0.000 0.992 106 E CA 1.402 57.902 56.400 0.167 0.000 0.804 106 E CB -0.661 29.128 29.700 0.149 0.000 0.741 106 E HN 0.249 nan 8.360 nan 0.000 0.458 107 V N 1.062 121.020 119.914 0.072 0.000 2.759 107 V HA -0.176 3.923 4.120 -0.035 0.000 0.256 107 V C 2.110 178.206 176.094 0.002 0.000 1.080 107 V CA 0.897 63.216 62.300 0.031 0.000 1.101 107 V CB 0.012 31.843 31.823 0.013 0.000 0.698 107 V HN 0.098 nan 8.190 nan 0.000 0.477 108 V N -0.048 119.874 119.914 0.014 0.000 2.255 108 V HA -0.319 3.780 4.120 -0.035 0.000 0.247 108 V C 2.383 178.418 176.094 -0.098 0.000 1.051 108 V CA 2.609 64.884 62.300 -0.041 0.000 1.018 108 V CB -0.718 31.107 31.823 0.004 0.000 0.641 108 V HN 0.686 nan 8.190 nan 0.000 0.445 109 E N -0.320 119.859 120.200 -0.035 0.000 2.077 109 E HA -0.276 4.053 4.350 -0.035 0.000 0.193 109 E C 2.325 178.896 176.600 -0.049 0.000 0.989 109 E CA 1.567 57.944 56.400 -0.039 0.000 0.800 109 E CB -0.087 29.636 29.700 0.039 0.000 0.746 109 E HN 0.698 nan 8.360 nan 0.000 0.452 110 Q N 0.234 120.023 119.800 -0.018 0.000 2.014 110 Q HA -0.217 4.102 4.340 -0.035 0.000 0.207 110 Q C 2.488 178.465 176.000 -0.038 0.000 0.993 110 Q CA 1.827 57.624 55.803 -0.009 0.000 0.850 110 Q CB -0.248 28.494 28.738 0.007 0.000 0.916 110 Q HN 0.361 nan 8.270 nan 0.000 0.417 111 L N 0.329 121.511 121.223 -0.068 0.000 2.012 111 L HA -0.225 4.094 4.340 -0.035 0.000 0.210 111 L C 2.439 179.228 176.870 -0.136 0.000 1.073 111 L CA 1.035 55.823 54.840 -0.087 0.000 0.748 111 L CB -0.541 41.458 42.059 -0.098 0.000 0.891 111 L HN 0.264 nan 8.230 nan 0.000 0.431 112 L N -0.223 120.838 121.223 -0.271 0.000 2.127 112 L HA -0.204 4.115 4.340 -0.035 0.000 0.211 112 L C 2.832 179.586 176.870 -0.194 0.000 1.089 112 L CA 1.031 55.572 54.840 -0.499 0.000 0.757 112 L CB -0.723 40.598 42.059 -1.231 0.000 0.899 112 L HN 0.267 nan 8.230 nan 0.000 0.434 113 A N -0.281 122.510 122.820 -0.050 0.000 2.076 113 A HA -0.183 4.116 4.320 -0.035 0.000 0.220 113 A C 2.124 179.768 177.584 0.099 0.000 1.160 113 A CA 2.067 54.170 52.037 0.110 0.000 0.653 113 A CB -0.695 18.352 19.000 0.078 0.000 0.801 113 A HN 0.524 nan 8.150 nan 0.000 0.455 114 T N -3.396 111.185 114.554 0.045 0.000 3.129 114 T HA 0.173 4.502 4.350 -0.035 0.000 0.267 114 T C 0.065 174.791 174.700 0.043 0.000 1.018 114 T CA -0.001 62.125 62.100 0.042 0.000 0.903 114 T CB -0.074 68.805 68.868 0.020 0.000 1.067 114 T HN 0.322 nan 8.240 nan 0.000 0.549 115 D N 1.056 121.492 120.400 0.061 0.000 2.225 115 D HA 0.182 4.801 4.640 -0.035 0.000 0.248 115 D C 0.667 177.036 176.300 0.115 0.000 1.096 115 D CA -0.155 53.884 54.000 0.066 0.000 0.863 115 D CB 1.865 42.689 40.800 0.040 0.000 1.156 115 D HN -0.049 nan 8.370 nan 0.000 0.450 116 E N 3.250 123.494 120.200 0.074 0.000 2.031 116 E HA -0.170 4.159 4.350 -0.035 0.000 0.193 116 E C 1.985 178.632 176.600 0.078 0.000 0.994 116 E CA 1.432 57.871 56.400 0.065 0.000 0.800 116 E CB 0.130 29.852 29.700 0.036 0.000 0.752 116 E HN 0.497 nan 8.360 nan 0.000 0.447 117 R N -0.574 119.975 120.500 0.082 0.000 2.091 117 R HA -0.162 4.158 4.340 -0.035 0.000 0.238 117 R C 2.392 178.771 176.300 0.132 0.000 1.136 117 R CA 1.560 57.707 56.100 0.080 0.000 0.959 117 R CB -0.614 29.727 30.300 0.068 0.000 0.856 117 R HN 0.395 nan 8.270 nan 0.000 0.437 118 W N 1.536 122.817 121.300 -0.032 0.000 2.354 118 W HA -0.164 4.492 4.660 -0.007 0.000 0.315 118 W C 1.605 178.113 176.519 -0.018 0.000 1.206 118 W CA 1.311 58.640 57.345 -0.027 0.000 1.290 118 W CB -0.220 29.227 29.460 -0.021 0.000 1.152 118 W HN 0.079 nan 8.180 nan 0.000 0.489 119 L N 0.781 122.099 121.223 0.159 0.000 2.131 119 L HA -0.256 4.063 4.340 -0.035 0.000 0.210 119 L C 2.601 179.447 176.870 -0.040 0.000 1.092 119 L CA 1.582 56.444 54.840 0.036 0.000 0.759 119 L CB -0.887 41.220 42.059 0.081 0.000 0.903 119 L HN -0.038 nan 8.230 nan 0.000 0.435 120 K N 0.427 120.815 120.400 -0.022 0.000 2.026 120 K HA -0.191 4.108 4.320 -0.035 0.000 0.208 120 K C 2.190 178.736 176.600 -0.090 0.000 1.048 120 K CA 1.396 57.659 56.287 -0.040 0.000 0.929 120 K CB -0.101 32.388 32.500 -0.018 0.000 0.713 120 K HN 0.261 nan 8.250 nan 0.000 0.439 121 A N 1.307 124.043 122.820 -0.140 0.000 1.902 121 A HA -0.114 4.185 4.320 -0.035 0.000 0.217 121 A C 2.108 179.541 177.584 -0.250 0.000 1.181 121 A CA 1.276 53.190 52.037 -0.204 0.000 0.623 121 A CB -0.611 18.217 19.000 -0.287 0.000 0.818 121 A HN 0.323 nan 8.150 nan 0.000 0.443 122 L N -0.927 120.101 121.223 -0.325 0.000 2.141 122 L HA -0.168 4.151 4.340 -0.035 0.000 0.209 122 L C 3.037 179.816 176.870 -0.152 0.000 1.094 122 L CA 0.932 55.605 54.840 -0.278 0.000 0.763 122 L CB -0.599 41.283 42.059 -0.296 0.000 0.908 122 L HN 0.456 nan 8.230 nan 0.000 0.437 123 A N 0.260 123.011 122.820 -0.115 0.000 1.898 123 A HA -0.085 4.214 4.320 -0.035 0.000 0.216 123 A C 2.518 180.062 177.584 -0.068 0.000 1.181 123 A CA 1.450 53.444 52.037 -0.071 0.000 0.620 123 A CB -0.575 18.395 19.000 -0.050 0.000 0.819 123 A HN 0.365 nan 8.150 nan 0.000 0.442 124 A N -0.488 122.286 122.820 -0.077 0.000 2.070 124 A HA -0.096 4.203 4.320 -0.035 0.000 0.220 124 A C 2.073 179.618 177.584 -0.066 0.000 1.159 124 A CA 1.397 53.394 52.037 -0.066 0.000 0.656 124 A CB -0.317 18.642 19.000 -0.067 0.000 0.800 124 A HN 0.538 nan 8.150 nan 0.000 0.453 125 R N -0.826 119.624 120.500 -0.082 0.000 2.362 125 R HA 0.111 4.430 4.340 -0.035 0.000 0.227 125 R C -0.301 175.961 176.300 -0.064 0.000 0.905 125 R CA 0.136 56.192 56.100 -0.074 0.000 1.067 125 R CB 0.217 30.459 30.300 -0.096 0.000 1.078 125 R HN 0.453 nan 8.270 nan 0.000 0.516 126 N N 0.985 119.649 118.700 -0.061 0.000 2.740 126 N HA -0.183 4.536 4.740 -0.035 0.000 0.248 126 N C -1.102 174.378 175.510 -0.051 0.000 1.062 126 N CA 0.927 53.948 53.050 -0.048 0.000 0.704 126 N CB -1.346 37.119 38.487 -0.036 0.000 0.968 126 N HN 0.270 nan 8.380 nan 0.000 0.547 127 L N 0.506 121.689 121.223 -0.066 0.000 2.287 127 L HA 0.286 4.605 4.340 -0.035 0.000 0.287 127 L C 0.589 177.431 176.870 -0.046 0.000 1.022 127 L CA -0.880 53.922 54.840 -0.064 0.000 0.814 127 L CB 1.428 43.431 42.059 -0.094 0.000 1.217 127 L HN -0.069 nan 8.230 nan 0.000 0.420 128 D N 2.566 122.951 120.400 -0.025 0.000 2.382 128 D HA -0.032 4.587 4.640 -0.035 0.000 0.259 128 D C 0.913 177.220 176.300 0.011 0.000 1.224 128 D CA 0.189 54.186 54.000 -0.005 0.000 0.894 128 D CB 1.628 42.430 40.800 0.003 0.000 1.127 128 D HN 0.284 nan 8.370 nan 0.000 0.487 129 V N 3.883 123.812 119.914 0.025 0.000 2.453 129 V HA -0.270 3.829 4.120 -0.035 0.000 0.252 129 V C 2.002 178.144 176.094 0.081 0.000 1.068 129 V CA 2.860 65.202 62.300 0.069 0.000 1.070 129 V CB -0.522 31.359 31.823 0.097 0.000 0.664 129 V HN 0.751 nan 8.190 nan 0.000 0.461 130 S N -1.719 114.016 115.700 0.057 0.000 2.603 130 S HA -0.026 4.423 4.470 -0.035 0.000 0.229 130 S C 1.646 176.275 174.600 0.049 0.000 0.972 130 S CA 0.810 59.043 58.200 0.055 0.000 0.935 130 S CB -0.279 62.948 63.200 0.044 0.000 0.769 130 S HN 0.728 nan 8.310 nan 0.000 0.536 131 K N 0.524 120.950 120.400 0.043 0.000 2.354 131 K HA 0.276 4.575 4.320 -0.035 0.000 0.194 131 K C -0.546 176.075 176.600 0.036 0.000 1.038 131 K CA -0.002 56.303 56.287 0.030 0.000 1.052 131 K CB 0.814 33.323 32.500 0.015 0.000 0.861 131 K HN 0.217 nan 8.250 nan 0.000 0.535 132 V N 3.665 123.618 119.914 0.064 0.000 2.408 132 V HA 0.159 4.258 4.120 -0.035 0.000 0.267 132 V C 0.252 176.424 176.094 0.130 0.000 1.047 132 V CA -0.525 61.833 62.300 0.097 0.000 0.937 132 V CB 0.652 32.550 31.823 0.125 0.000 0.999 132 V HN 0.152 nan 8.190 nan 0.000 0.472 133 R N 3.374 123.938 120.500 0.107 0.000 2.500 133 R HA 0.650 4.969 4.340 -0.035 0.000 0.277 133 R C -0.778 175.634 176.300 0.186 0.000 1.026 133 R CA -0.543 55.612 56.100 0.091 0.000 1.058 133 R CB 1.855 32.139 30.300 -0.027 0.000 1.078 133 R HN 0.450 nan 8.270 nan 0.000 0.509 134 V N 1.395 121.414 119.914 0.174 0.000 2.540 134 V HA 0.435 4.535 4.120 -0.035 0.000 0.302 134 V C -0.128 176.108 176.094 0.236 0.000 1.035 134 V CA -1.125 61.320 62.300 0.242 0.000 0.873 134 V CB 1.812 33.726 31.823 0.152 0.000 0.992 134 V HN 0.844 nan 8.190 nan 0.000 0.428 135 A N 7.393 130.435 122.820 0.370 0.000 2.316 135 A HA 0.655 4.954 4.320 -0.035 0.000 0.311 135 A C -2.329 175.464 177.584 0.349 0.000 1.339 135 A CA -1.417 50.857 52.037 0.396 0.000 0.960 135 A CB 0.094 19.507 19.000 0.689 0.000 1.152 135 A HN 0.569 nan 8.150 nan 0.000 0.547 136 P HA 0.356 nan 4.420 nan 0.000 0.284 136 P C -0.775 176.710 177.300 0.309 0.000 1.343 136 P CA 0.191 63.456 63.100 0.274 0.000 0.826 136 P CB 0.617 32.522 31.700 0.342 0.000 0.956 137 L N 2.153 123.540 121.223 0.274 0.000 2.322 137 L HA 0.447 4.766 4.340 -0.035 0.000 0.269 137 L C 1.120 178.113 176.870 0.206 0.000 1.012 137 L CA -1.056 53.940 54.840 0.261 0.000 0.815 137 L CB 1.512 43.706 42.059 0.225 0.000 1.295 137 L HN 0.290 nan 8.230 nan 0.000 0.438 138 S N 0.262 116.076 115.700 0.190 0.000 2.559 138 S HA 0.140 4.589 4.470 -0.035 0.000 0.282 138 S C 0.715 175.405 174.600 0.151 0.000 1.336 138 S CA 0.004 58.269 58.200 0.108 0.000 1.037 138 S CB 1.179 64.456 63.200 0.129 0.000 0.853 138 S HN 0.748 nan 8.310 nan 0.000 0.523 139 A N 2.801 125.654 122.820 0.056 0.000 2.014 139 A HA 0.611 4.910 4.320 -0.035 0.000 0.210 139 A C 1.514 179.246 177.584 0.247 0.000 1.188 139 A CA 0.616 52.667 52.037 0.024 0.000 0.731 139 A CB -1.341 17.580 19.000 -0.131 0.000 0.858 139 A HN 2.340 nan 8.150 nan 0.000 0.464 140 G N -1.524 107.376 108.800 0.167 0.000 2.698 140 G HA2 -0.054 3.885 3.960 -0.035 0.000 0.233 140 G HA3 -0.054 3.885 3.960 -0.035 0.000 0.233 140 G C -0.395 174.484 174.900 -0.035 0.000 1.352 140 G CA -0.209 44.955 45.100 0.107 0.000 0.879 140 G HN 1.095 nan 8.290 nan 0.000 0.567 141 V N 1.071 120.781 119.914 -0.342 0.000 2.443 141 V HA 0.736 4.835 4.120 -0.035 0.000 0.293 141 V C 0.028 175.705 176.094 -0.695 0.000 1.021 141 V CA -0.286 61.811 62.300 -0.339 0.000 0.848 141 V CB 1.152 32.803 31.823 -0.286 0.000 0.998 141 V HN 0.678 nan 8.190 nan 0.000 0.424 142 F N 1.880 121.769 119.950 -0.102 0.000 2.853 142 F HA 0.423 4.931 4.527 -0.032 0.000 0.155 142 F C 1.479 177.106 175.800 -0.289 0.000 1.549 142 F CA -0.498 57.391 58.000 -0.185 0.000 1.037 142 F CB 0.289 39.165 39.000 -0.206 0.000 1.935 142 F HN 0.438 nan 8.300 nan 0.000 0.257 143 E N 0.478 120.466 120.200 -0.352 0.000 2.499 143 E HA 0.073 4.402 4.350 -0.035 0.000 0.199 143 E C -1.339 175.081 176.600 -0.300 0.000 1.016 143 E CA 0.052 56.254 56.400 -0.329 0.000 0.933 143 E CB -0.612 28.945 29.700 -0.239 0.000 1.050 143 E HN 0.456 nan 8.360 nan 0.000 0.462 144 Y N 0.876 121.218 120.300 0.070 0.000 2.717 144 Y HA 0.544 5.073 4.550 -0.035 0.000 0.329 144 Y C 1.444 177.350 175.900 0.009 0.000 1.017 144 Y CA -0.813 57.313 58.100 0.043 0.000 1.275 144 Y CB 1.092 39.577 38.460 0.041 0.000 1.109 144 Y HN 0.073 nan 8.280 nan 0.000 0.511 145 A N 2.091 124.983 122.820 0.120 0.000 2.024 145 A HA -0.206 4.093 4.320 -0.035 0.000 0.220 145 A C 2.124 179.736 177.584 0.047 0.000 1.164 145 A CA 1.811 53.879 52.037 0.052 0.000 0.643 145 A CB -0.260 18.760 19.000 0.033 0.000 0.806 145 A HN 0.750 nan 8.150 nan 0.000 0.451 146 E N 0.632 120.875 120.200 0.072 0.000 2.338 146 E HA -0.203 4.126 4.350 -0.035 0.000 0.197 146 E C 1.156 177.769 176.600 0.021 0.000 1.007 146 E CA 1.340 57.763 56.400 0.039 0.000 0.849 146 E CB -0.472 29.252 29.700 0.040 0.000 0.774 146 E HN 0.792 nan 8.360 nan 0.000 0.506 147 E N 0.920 121.143 120.200 0.039 0.000 2.299 147 E HA 0.024 4.353 4.350 -0.035 0.000 0.193 147 E C 0.245 176.829 176.600 -0.026 0.000 0.998 147 E CA -0.148 56.255 56.400 0.005 0.000 0.851 147 E CB 0.013 29.732 29.700 0.031 0.000 0.795 147 E HN 0.190 nan 8.360 nan 0.000 0.492 148 R N 0.479 120.962 120.500 -0.028 0.000 2.480 148 R HA 0.096 4.415 4.340 -0.035 0.000 0.303 148 R C 0.950 177.214 176.300 -0.060 0.000 0.985 148 R CA 0.744 56.810 56.100 -0.056 0.000 1.051 148 R CB 0.131 30.398 30.300 -0.056 0.000 0.935 148 R HN 0.294 nan 8.270 nan 0.000 0.410 149 G N 2.219 110.972 108.800 -0.078 0.000 2.241 149 G HA2 -0.250 3.689 3.960 -0.035 0.000 0.244 149 G HA3 -0.250 3.689 3.960 -0.035 0.000 0.244 149 G C -0.008 174.852 174.900 -0.067 0.000 0.998 149 G CA -0.334 44.720 45.100 -0.076 0.000 0.621 149 G HN 0.452 nan 8.290 nan 0.000 0.519 150 R N 0.338 120.802 120.500 -0.061 0.000 2.598 150 R HA 0.622 4.941 4.340 -0.035 0.000 0.279 150 R C 0.129 176.385 176.300 -0.075 0.000 0.984 150 R CA -0.875 55.191 56.100 -0.057 0.000 0.999 150 R CB 0.619 30.891 30.300 -0.047 0.000 1.114 150 R HN 0.326 nan 8.270 nan 0.000 0.493 151 R N 2.032 122.485 120.500 -0.079 0.000 2.230 151 R HA 0.373 4.692 4.340 -0.035 0.000 0.337 151 R C -0.047 176.187 176.300 -0.110 0.000 1.063 151 R CA -0.407 55.626 56.100 -0.111 0.000 0.935 151 R CB 0.500 30.717 30.300 -0.139 0.000 1.121 151 R HN 0.312 nan 8.270 nan 0.000 0.486 152 I N 3.810 124.311 120.570 -0.115 0.000 2.707 152 I HA 0.474 4.623 4.170 -0.035 0.000 0.309 152 I C 0.222 176.261 176.117 -0.130 0.000 1.001 152 I CA -0.959 60.268 61.300 -0.121 0.000 1.129 152 I CB 1.469 39.384 38.000 -0.142 0.000 1.308 152 I HN 0.471 nan 8.210 nan 0.000 0.466 153 L N 4.030 125.180 121.223 -0.121 0.000 2.422 153 L HA 0.525 4.844 4.340 -0.035 0.000 0.264 153 L C -0.499 176.295 176.870 -0.126 0.000 0.984 153 L CA -0.788 54.001 54.840 -0.085 0.000 0.819 153 L CB 2.738 44.786 42.059 -0.020 0.000 1.330 153 L HN 0.530 nan 8.230 nan 0.000 0.410 154 R N 1.060 121.454 120.500 -0.177 0.000 2.494 154 R HA 0.657 4.976 4.340 -0.035 0.000 0.305 154 R C -0.275 176.006 176.300 -0.032 0.000 0.959 154 R CA -0.710 55.226 56.100 -0.273 0.000 0.864 154 R CB 2.168 31.871 30.300 -0.995 0.000 1.159 154 R HN 0.736 nan 8.270 nan 0.000 0.446 155 G N 2.893 111.721 108.800 0.046 0.000 2.452 155 G HA2 0.623 4.563 3.960 -0.035 0.000 0.324 155 G HA3 0.623 4.563 3.960 -0.035 0.000 0.324 155 G C -0.842 174.249 174.900 0.318 0.000 1.214 155 G CA -0.630 44.569 45.100 0.165 0.000 0.947 155 G HN 0.300 nan 8.290 nan 0.000 0.478 156 L N 1.190 122.680 121.223 0.446 0.000 2.365 156 L HA 0.700 5.019 4.340 -0.035 0.000 0.273 156 L C 0.495 177.585 176.870 0.367 0.000 1.000 156 L CA -1.034 54.072 54.840 0.443 0.000 0.819 156 L CB 2.247 44.659 42.059 0.588 0.000 1.284 156 L HN 0.633 nan 8.230 nan 0.000 0.418 157 A N 2.717 125.623 122.820 0.145 0.000 2.310 157 A HA 0.828 5.127 4.320 -0.035 0.000 0.299 157 A C -1.158 176.189 177.584 -0.396 0.000 1.147 157 A CA -0.100 51.975 52.037 0.065 0.000 0.818 157 A CB 0.345 19.391 19.000 0.077 0.000 1.096 157 A HN 0.507 nan 8.150 nan 0.000 0.495 158 F N 0.956 120.903 119.950 -0.006 0.000 2.573 158 F HA 0.387 4.895 4.527 -0.030 0.000 0.316 158 F C -0.176 175.592 175.800 -0.055 0.000 1.148 158 F CA -0.645 57.308 58.000 -0.078 0.000 0.940 158 F CB 2.263 41.106 39.000 -0.262 0.000 1.214 158 F HN 0.316 nan 8.300 nan 0.000 0.448 159 V N 3.110 123.103 119.914 0.132 0.000 2.488 159 V HA 0.231 4.330 4.120 -0.035 0.000 0.277 159 V C -0.179 175.972 176.094 0.096 0.000 1.046 159 V CA -0.412 61.930 62.300 0.069 0.000 0.986 159 V CB 1.238 33.050 31.823 -0.018 0.000 0.989 159 V HN 0.763 nan 8.190 nan 0.000 0.475 160 Q N 3.075 122.884 119.800 0.015 0.000 2.425 160 Q HA 0.221 4.540 4.340 -0.035 0.000 0.254 160 Q C 0.083 176.049 176.000 -0.056 0.000 1.032 160 Q CA -0.642 55.136 55.803 -0.043 0.000 0.798 160 Q CB 1.105 29.788 28.738 -0.091 0.000 1.210 160 Q HN 0.769 nan 8.270 nan 0.000 0.491 161 D N 3.351 123.711 120.400 -0.065 0.000 2.218 161 D HA -0.042 4.577 4.640 -0.035 0.000 0.204 161 D C 0.102 176.549 176.300 0.245 0.000 0.976 161 D CA 1.250 55.295 54.000 0.074 0.000 0.853 161 D CB 0.051 40.967 40.800 0.193 0.000 0.939 161 D HN 0.434 nan 8.370 nan 0.000 0.481 162 F N -4.615 115.337 119.950 0.003 0.000 2.741 162 F HA 0.383 4.884 4.527 -0.044 0.000 0.313 162 F C -2.476 173.323 175.800 -0.001 0.000 1.153 162 F CA -2.136 55.862 58.000 -0.005 0.000 0.931 162 F CB 0.466 39.457 39.000 -0.016 0.000 1.335 162 F HN -0.418 nan 8.300 nan 0.000 0.460 163 P HA -0.161 nan 4.420 nan 0.000 0.215 163 P C 0.798 178.078 177.300 -0.033 0.000 1.163 163 P CA 2.088 65.217 63.100 0.049 0.000 0.894 163 P CB 0.181 31.940 31.700 0.099 0.000 0.791 164 E N -0.755 119.470 120.200 0.040 0.000 2.502 164 E HA 0.009 4.338 4.350 -0.035 0.000 0.194 164 E C 0.196 176.611 176.600 -0.308 0.000 1.062 164 E CA 0.238 56.618 56.400 -0.033 0.000 0.867 164 E CB -0.836 28.939 29.700 0.126 0.000 0.888 164 E HN 0.359 nan 8.360 nan 0.000 0.510 165 D N 0.341 120.237 120.400 -0.841 0.000 2.362 165 D HA -0.009 4.610 4.640 -0.035 0.000 0.242 165 D C -0.469 175.592 176.300 -0.398 0.000 1.132 165 D CA 0.036 53.441 54.000 -0.991 0.000 0.907 165 D CB 0.861 40.788 40.800 -1.454 0.000 1.195 165 D HN -0.228 nan 8.370 nan 0.000 0.429 166 S N 1.927 117.485 115.700 -0.236 0.000 2.409 166 S HA 0.453 4.903 4.470 -0.035 0.000 0.308 166 S C 0.977 175.530 174.600 -0.079 0.000 1.080 166 S CA -0.239 57.906 58.200 -0.092 0.000 1.081 166 S CB 0.364 63.564 63.200 0.000 0.000 1.009 166 S HN 0.505 nan 8.310 nan 0.000 0.502 167 A N 4.842 127.523 122.820 -0.231 0.000 2.019 167 A HA -0.040 4.259 4.320 -0.035 0.000 0.219 167 A C 1.397 178.906 177.584 -0.125 0.000 1.164 167 A CA 0.972 52.890 52.037 -0.198 0.000 0.644 167 A CB -0.739 18.040 19.000 -0.370 0.000 0.805 167 A HN 0.991 nan 8.150 nan 0.000 0.449 168 W N -0.237 121.070 121.300 0.013 0.000 2.468 168 W HA 0.036 4.680 4.660 -0.028 0.000 0.262 168 W C 2.337 179.010 176.519 0.256 0.000 1.241 168 W CA 0.670 58.030 57.345 0.024 0.000 1.232 168 W CB -0.122 29.329 29.460 -0.014 0.000 1.124 168 W HN 0.371 nan 8.180 nan 0.000 0.597 169 A N -0.589 122.420 122.820 0.315 0.000 2.167 169 A HA -0.048 4.251 4.320 -0.035 0.000 0.214 169 A C 0.185 177.610 177.584 -0.265 0.000 1.151 169 A CA 0.759 52.836 52.037 0.067 0.000 0.735 169 A CB -0.800 18.138 19.000 -0.103 0.000 0.802 169 A HN 0.488 nan 8.150 nan 0.000 0.467 170 H N -0.180 119.026 119.070 0.227 0.000 2.386 170 H HA 0.239 4.788 4.556 -0.012 0.000 0.232 170 H C -2.797 172.553 175.328 0.037 0.000 1.416 170 H CA -2.000 54.115 56.048 0.112 0.000 1.285 170 H CB 0.488 30.299 29.762 0.082 0.000 1.625 170 H HN 0.279 nan 8.280 nan 0.000 0.521 171 P HA -0.017 nan 4.420 nan 0.000 0.271 171 P C 0.016 177.124 177.300 -0.320 0.000 1.216 171 P CA -0.136 62.707 63.100 -0.428 0.000 0.776 171 P CB 2.075 33.581 31.700 -0.323 0.000 0.881 172 V N 3.745 123.402 119.914 -0.428 0.000 2.259 172 V HA 0.150 4.249 4.120 -0.035 0.000 0.267 172 V C 0.629 176.563 176.094 -0.266 0.000 1.051 172 V CA -0.251 61.896 62.300 -0.255 0.000 0.830 172 V CB 0.355 32.039 31.823 -0.232 0.000 1.080 172 V HN 0.524 nan 8.190 nan 0.000 0.467 173 D N 3.089 123.333 120.400 -0.259 0.000 2.354 173 D HA 0.458 5.077 4.640 -0.035 0.000 0.247 173 D C 1.244 177.385 176.300 -0.265 0.000 1.138 173 D CA 1.270 55.022 54.000 -0.415 0.000 0.958 173 D CB 1.818 42.142 40.800 -0.794 0.000 1.144 173 D HN 0.728 nan 8.370 nan 0.000 0.458 174 G N 0.558 109.184 108.800 -0.290 0.000 2.179 174 G HA2 -0.212 3.727 3.960 -0.035 0.000 0.260 174 G HA3 -0.212 3.727 3.960 -0.035 0.000 0.260 174 G C -0.138 174.790 174.900 0.046 0.000 0.977 174 G CA 0.533 45.684 45.100 0.085 0.000 0.641 174 G HN 0.505 nan 8.290 nan 0.000 0.533 175 L N 0.226 121.438 121.223 -0.017 0.000 2.410 175 L HA 0.921 5.240 4.340 -0.035 0.000 0.270 175 L C -0.691 176.248 176.870 0.114 0.000 0.983 175 L CA -1.144 53.693 54.840 -0.005 0.000 0.822 175 L CB 2.343 44.308 42.059 -0.156 0.000 1.285 175 L HN 0.625 nan 8.230 nan 0.000 0.409 176 V N 4.236 124.254 119.914 0.174 0.000 2.969 176 V HA 0.961 5.060 4.120 -0.035 0.000 0.304 176 V C -1.214 174.945 176.094 0.107 0.000 1.192 176 V CA 0.274 62.716 62.300 0.236 0.000 0.962 176 V CB 2.044 34.033 31.823 0.278 0.000 1.045 176 V HN 1.180 nan 8.190 nan 0.000 0.428 177 A N 5.211 128.084 122.820 0.088 0.000 2.374 177 A HA 0.958 5.257 4.320 -0.035 0.000 0.317 177 A C -1.973 175.578 177.584 -0.056 0.000 1.094 177 A CA -0.460 51.509 52.037 -0.113 0.000 0.765 177 A CB 1.621 20.470 19.000 -0.252 0.000 1.268 177 A HN 0.843 nan 8.150 nan 0.000 0.438 178 Y N 0.693 120.867 120.300 -0.209 0.000 2.328 178 Y HA 0.545 5.075 4.550 -0.033 0.000 0.336 178 Y C -0.244 175.534 175.900 -0.202 0.000 0.960 178 Y CA -1.577 56.373 58.100 -0.250 0.000 1.134 178 Y CB 1.607 39.886 38.460 -0.301 0.000 1.166 178 Y HN 0.333 nan 8.280 nan 0.000 0.464 179 V N 3.522 123.418 119.914 -0.030 0.000 2.448 179 V HA 0.232 4.331 4.120 -0.035 0.000 0.295 179 V C -0.349 175.703 176.094 -0.069 0.000 1.025 179 V CA -1.030 61.227 62.300 -0.070 0.000 0.859 179 V CB 1.995 33.759 31.823 -0.098 0.000 0.988 179 V HN 0.637 nan 8.190 nan 0.000 0.431 180 D N 3.672 124.035 120.400 -0.061 0.000 2.339 180 D HA 0.121 4.740 4.640 -0.035 0.000 0.241 180 D C 1.025 177.291 176.300 -0.057 0.000 1.183 180 D CA -0.209 53.755 54.000 -0.059 0.000 0.859 180 D CB 1.975 42.748 40.800 -0.046 0.000 1.067 180 D HN 0.449 nan 8.370 nan 0.000 0.484 181 V N 2.617 122.491 119.914 -0.068 0.000 3.380 181 V HA -0.097 4.002 4.120 -0.035 0.000 0.268 181 V C 1.775 177.851 176.094 -0.030 0.000 1.168 181 V CA 1.265 63.528 62.300 -0.061 0.000 1.156 181 V CB -0.720 31.043 31.823 -0.100 0.000 0.785 181 V HN 0.488 nan 8.190 nan 0.000 0.487 182 V N -0.284 119.620 119.914 -0.016 0.000 2.436 182 V HA 0.043 4.142 4.120 -0.035 0.000 0.240 182 V C 2.500 178.592 176.094 -0.003 0.000 1.040 182 V CA 1.679 63.988 62.300 0.014 0.000 1.052 182 V CB -0.574 31.271 31.823 0.036 0.000 0.707 182 V HN 0.582 nan 8.190 nan 0.000 0.469 183 S N -0.079 115.613 115.700 -0.014 0.000 2.522 183 S HA 0.057 4.506 4.470 -0.035 0.000 0.227 183 S C 0.987 175.576 174.600 -0.019 0.000 0.986 183 S CA 0.596 58.786 58.200 -0.017 0.000 0.929 183 S CB -0.688 62.500 63.200 -0.020 0.000 0.769 183 S HN 0.764 nan 8.310 nan 0.000 0.529 184 K N 1.488 121.874 120.400 -0.023 0.000 3.162 184 K HA -0.171 4.128 4.320 -0.035 0.000 0.268 184 K C -0.635 175.944 176.600 -0.034 0.000 1.062 184 K CA 1.061 57.331 56.287 -0.028 0.000 0.769 184 K CB -2.044 30.446 32.500 -0.018 0.000 1.274 184 K HN 0.931 nan 8.250 nan 0.000 0.478 185 E N -1.052 119.124 120.200 -0.040 0.000 2.238 185 E HA 0.446 4.776 4.350 -0.035 0.000 0.267 185 E C -0.417 176.150 176.600 -0.055 0.000 0.887 185 E CA -1.235 55.139 56.400 -0.042 0.000 0.769 185 E CB 1.913 31.593 29.700 -0.033 0.000 1.187 185 E HN -0.032 nan 8.360 nan 0.000 0.416 186 V N 3.613 123.489 119.914 -0.064 0.000 2.370 186 V HA -0.011 4.089 4.120 -0.035 0.000 0.257 186 V C 1.499 177.554 176.094 -0.065 0.000 1.064 186 V CA 0.591 62.842 62.300 -0.081 0.000 0.975 186 V CB 0.062 31.826 31.823 -0.098 0.000 1.067 186 V HN 0.989 nan 8.190 nan 0.000 0.485 187 T N 2.704 117.225 114.554 -0.056 0.000 2.995 187 T HA 0.083 4.412 4.350 -0.035 0.000 0.269 187 T C 0.794 175.444 174.700 -0.082 0.000 1.091 187 T CA 0.604 62.674 62.100 -0.051 0.000 1.128 187 T CB 0.248 69.097 68.868 -0.031 0.000 0.891 187 T HN 0.550 nan 8.240 nan 0.000 0.492 188 R N -0.847 119.576 120.500 -0.129 0.000 2.634 188 R HA 0.636 4.955 4.340 -0.035 0.000 0.263 188 R C -2.236 173.897 176.300 -0.278 0.000 1.060 188 R CA -0.718 55.235 56.100 -0.246 0.000 0.898 188 R CB 2.711 32.742 30.300 -0.449 0.000 1.253 188 R HN 0.048 nan 8.270 nan 0.000 0.461 189 V N 3.988 123.779 119.914 -0.204 0.000 2.524 189 V HA 0.488 4.587 4.120 -0.035 0.000 0.297 189 V C -0.646 175.379 176.094 -0.115 0.000 1.035 189 V CA -0.555 61.694 62.300 -0.085 0.000 0.867 189 V CB 1.863 33.731 31.823 0.075 0.000 1.004 189 V HN 0.555 nan 8.190 nan 0.000 0.426 190 I N 4.061 124.550 120.570 -0.133 0.000 2.362 190 I HA 0.504 4.653 4.170 -0.035 0.000 0.289 190 I C -0.889 175.218 176.117 -0.016 0.000 0.994 190 I CA -0.245 61.000 61.300 -0.093 0.000 1.158 190 I CB 1.892 39.811 38.000 -0.135 0.000 1.315 190 I HN 0.500 nan 8.210 nan 0.000 0.451 191 D N 4.630 125.026 120.400 -0.007 0.000 2.440 191 D HA 0.153 4.772 4.640 -0.035 0.000 0.252 191 D C 0.880 177.196 176.300 0.027 0.000 1.180 191 D CA -0.328 53.673 54.000 0.003 0.000 0.894 191 D CB 1.527 42.311 40.800 -0.026 0.000 1.111 191 D HN 0.654 nan 8.370 nan 0.000 0.544 192 T N 0.251 114.847 114.554 0.070 0.000 3.067 192 T HA 0.422 4.751 4.350 -0.035 0.000 0.261 192 T C 0.980 175.730 174.700 0.083 0.000 1.110 192 T CA 0.413 62.567 62.100 0.089 0.000 1.113 192 T CB 0.344 69.293 68.868 0.135 0.000 0.917 192 T HN 0.520 nan 8.240 nan 0.000 0.499 193 G N -0.023 108.835 108.800 0.097 0.000 2.352 193 G HA2 0.348 4.287 3.960 -0.035 0.000 0.305 193 G HA3 0.348 4.287 3.960 -0.035 0.000 0.305 193 G C -1.523 173.408 174.900 0.052 0.000 1.537 193 G CA -0.483 44.619 45.100 0.004 0.000 0.959 193 G HN 0.327 nan 8.290 nan 0.000 0.668 194 V N 0.704 120.584 119.914 -0.057 0.000 2.614 194 V HA 0.751 4.850 4.120 -0.035 0.000 0.291 194 V C -0.676 175.364 176.094 -0.091 0.000 1.049 194 V CA -0.200 62.096 62.300 -0.007 0.000 1.038 194 V CB 0.555 32.349 31.823 -0.050 0.000 0.980 194 V HN 0.570 nan 8.190 nan 0.000 0.481 195 F N 6.787 126.699 119.950 -0.063 0.000 2.540 195 F HA 0.588 5.086 4.527 -0.048 0.000 0.317 195 F C -1.821 173.949 175.800 -0.049 0.000 1.104 195 F CA -2.236 55.731 58.000 -0.054 0.000 0.913 195 F CB 1.800 40.766 39.000 -0.057 0.000 1.170 195 F HN 0.410 nan 8.300 nan 0.000 0.450 196 P HA 0.079 nan 4.420 nan 0.000 0.266 196 P C -0.617 176.732 177.300 0.081 0.000 1.195 196 P CA -0.067 63.075 63.100 0.071 0.000 0.768 196 P CB 0.994 32.724 31.700 0.050 0.000 0.838 197 V N 5.678 125.622 119.914 0.049 0.000 2.432 197 V HA 0.130 4.229 4.120 -0.035 0.000 0.271 197 V C -1.827 174.323 176.094 0.093 0.000 1.046 197 V CA -1.457 60.873 62.300 0.050 0.000 0.945 197 V CB 0.316 32.149 31.823 0.018 0.000 0.992 197 V HN 0.547 nan 8.190 nan 0.000 0.471 198 P HA 0.010 nan 4.420 nan 0.000 0.258 198 P C 0.472 177.938 177.300 0.276 0.000 1.172 198 P CA 0.428 63.608 63.100 0.132 0.000 0.762 198 P CB 0.767 32.499 31.700 0.055 0.000 0.764 199 A N 4.115 127.054 122.820 0.199 0.000 1.935 199 A HA -0.056 4.243 4.320 -0.035 0.000 0.214 199 A C 0.788 178.566 177.584 0.323 0.000 1.178 199 A CA 0.693 52.861 52.037 0.218 0.000 0.640 199 A CB -0.474 18.598 19.000 0.121 0.000 0.825 199 A HN 0.549 nan 8.150 nan 0.000 0.447 200 E N 0.574 120.913 120.200 0.232 0.000 2.415 200 E HA 0.231 4.560 4.350 -0.035 0.000 0.262 200 E C -0.213 176.560 176.600 0.289 0.000 1.038 200 E CA 0.067 56.596 56.400 0.214 0.000 0.921 200 E CB 0.274 30.039 29.700 0.109 0.000 0.950 200 E HN 0.789 nan 8.360 nan 0.000 0.438 201 H N -0.792 118.438 119.070 0.268 0.000 2.508 201 H HA 0.478 5.011 4.556 -0.039 0.000 0.358 201 H C 0.437 175.876 175.328 0.185 0.000 1.212 201 H CA -0.781 55.396 56.048 0.214 0.000 1.356 201 H CB 1.073 30.982 29.762 0.245 0.000 1.525 201 H HN 0.500 nan 8.280 nan 0.000 0.578 202 G N 1.317 110.255 108.800 0.230 0.000 4.637 202 G HA2 0.062 4.001 3.960 -0.035 0.000 0.294 202 G HA3 0.062 4.001 3.960 -0.035 0.000 0.294 202 G C -0.722 174.158 174.900 -0.034 0.000 1.215 202 G CA -0.681 44.449 45.100 0.050 0.000 0.943 202 G HN 0.651 nan 8.290 nan 0.000 0.572 203 N N 1.797 120.633 118.700 0.226 0.000 2.719 203 N HA 0.104 4.823 4.740 -0.035 0.000 0.243 203 N C 0.804 176.225 175.510 -0.148 0.000 1.104 203 N CA -0.469 52.512 53.050 -0.115 0.000 0.981 203 N CB 0.575 39.053 38.487 -0.016 0.000 1.290 203 N HN 0.552 nan 8.380 nan 0.000 0.513 204 Y N -0.552 119.749 120.300 0.002 0.000 2.716 204 Y HA -0.004 4.525 4.550 -0.034 0.000 0.302 204 Y C 1.296 177.199 175.900 0.006 0.000 1.160 204 Y CA 0.211 58.292 58.100 -0.032 0.000 1.362 204 Y CB -0.593 37.803 38.460 -0.107 0.000 0.988 204 Y HN 0.122 nan 8.280 nan 0.000 0.546 205 T N -1.223 113.282 114.554 -0.081 0.000 3.022 205 T HA -0.013 4.316 4.350 -0.035 0.000 0.250 205 T C 0.040 174.752 174.700 0.020 0.000 1.060 205 T CA 0.104 62.210 62.100 0.010 0.000 1.013 205 T CB -0.134 68.717 68.868 -0.028 0.000 0.982 205 T HN 0.251 nan 8.240 nan 0.000 0.508 206 D N 2.252 122.670 120.400 0.031 0.000 2.339 206 D HA 0.148 4.767 4.640 -0.035 0.000 0.256 206 D C -1.865 174.481 176.300 0.076 0.000 1.214 206 D CA -2.413 51.619 54.000 0.052 0.000 0.877 206 D CB 1.711 42.555 40.800 0.073 0.000 1.111 206 D HN -0.020 nan 8.370 nan 0.000 0.478 207 P HA -0.131 nan 4.420 nan 0.000 0.223 207 P C 0.922 178.258 177.300 0.060 0.000 1.144 207 P CA 0.655 63.784 63.100 0.048 0.000 0.783 207 P CB 0.266 31.984 31.700 0.031 0.000 0.771 208 E N -0.561 119.688 120.200 0.082 0.000 2.216 208 E HA -0.118 4.211 4.350 -0.035 0.000 0.192 208 E C 1.505 178.173 176.600 0.114 0.000 0.988 208 E CA 0.774 57.232 56.400 0.098 0.000 0.834 208 E CB -0.247 29.528 29.700 0.125 0.000 0.772 208 E HN 0.151 nan 8.360 nan 0.000 0.479 209 L N 0.713 122.019 121.223 0.139 0.000 2.253 209 L HA 0.017 4.336 4.340 -0.035 0.000 0.205 209 L C 2.460 179.371 176.870 0.068 0.000 1.078 209 L CA 1.963 56.863 54.840 0.100 0.000 0.805 209 L CB -0.508 41.625 42.059 0.124 0.000 0.963 209 L HN 0.172 nan 8.230 nan 0.000 0.459 210 T N -2.833 111.764 114.554 0.072 0.000 2.985 210 T HA 0.377 4.706 4.350 -0.035 0.000 0.266 210 T C 1.177 175.901 174.700 0.041 0.000 1.076 210 T CA 0.469 62.602 62.100 0.055 0.000 1.135 210 T CB -0.709 68.193 68.868 0.058 0.000 0.890 210 T HN 0.667 nan 8.240 nan 0.000 0.480 211 G N 1.998 110.824 108.800 0.043 0.000 2.796 211 G HA2 -0.053 3.886 3.960 -0.035 0.000 0.226 211 G HA3 -0.053 3.886 3.960 -0.035 0.000 0.226 211 G C -2.842 172.075 174.900 0.029 0.000 1.381 211 G CA -0.745 44.375 45.100 0.034 0.000 0.867 211 G HN 0.519 nan 8.290 nan 0.000 0.552 212 P HA 0.380 nan 4.420 nan 0.000 0.265 212 P C 0.140 177.451 177.300 0.018 0.000 1.193 212 P CA -0.434 62.677 63.100 0.019 0.000 0.765 212 P CB 0.450 32.159 31.700 0.015 0.000 0.823 213 L N 4.121 125.355 121.223 0.018 0.000 2.426 213 L HA 0.162 4.481 4.340 -0.035 0.000 0.271 213 L C 1.119 177.996 176.870 0.012 0.000 1.169 213 L CA 0.192 55.042 54.840 0.016 0.000 0.836 213 L CB -0.192 41.877 42.059 0.017 0.000 1.112 213 L HN 0.315 nan 8.230 nan 0.000 0.465 214 R N 1.121 121.627 120.500 0.010 0.000 2.585 214 R HA 0.090 4.409 4.340 -0.035 0.000 0.275 214 R C 0.530 176.834 176.300 0.006 0.000 1.018 214 R CA 0.801 56.905 56.100 0.007 0.000 1.072 214 R CB 0.129 30.431 30.300 0.004 0.000 0.953 214 R HN 0.786 nan 8.270 nan 0.000 0.419 215 T N -3.441 111.116 114.554 0.006 0.000 3.145 215 T HA 0.007 4.336 4.350 -0.035 0.000 0.281 215 T C 1.210 175.912 174.700 0.004 0.000 1.003 215 T CA -0.005 62.098 62.100 0.005 0.000 0.901 215 T CB 0.414 69.285 68.868 0.006 0.000 1.112 215 T HN 0.665 nan 8.240 nan 0.000 0.535 216 T N -0.736 113.820 114.554 0.003 0.000 3.065 216 T HA 0.176 4.505 4.350 -0.035 0.000 0.252 216 T C 0.671 175.371 174.700 0.001 0.000 1.099 216 T CA -0.185 61.916 62.100 0.001 0.000 1.063 216 T CB -0.298 68.570 68.868 0.000 0.000 0.948 216 T HN 0.420 nan 8.240 nan 0.000 0.506 217 Q N 1.764 121.565 119.800 0.001 0.000 2.307 217 Q HA 0.396 4.715 4.340 -0.035 0.000 0.259 217 Q C -0.743 175.259 176.000 0.002 0.000 0.998 217 Q CA -0.379 55.425 55.803 0.001 0.000 0.923 217 Q CB 0.893 29.632 28.738 0.001 0.000 1.196 217 Q HN 0.095 nan 8.270 nan 0.000 0.416 218 K N 3.331 123.732 120.400 0.002 0.000 2.118 218 K HA 0.322 4.621 4.320 -0.035 0.000 0.264 218 K C -2.146 174.457 176.600 0.005 0.000 1.000 218 K CA -1.645 54.644 56.287 0.003 0.000 0.929 218 K CB 0.326 32.828 32.500 0.002 0.000 1.021 218 K HN 0.400 nan 8.250 nan 0.000 0.463 219 P HA 0.216 nan 4.420 nan 0.000 0.275 219 P C -0.767 176.539 177.300 0.010 0.000 1.227 219 P CA -0.021 63.084 63.100 0.009 0.000 0.781 219 P CB 0.562 32.269 31.700 0.011 0.000 0.906 220 I N 1.734 122.312 120.570 0.013 0.000 2.382 220 I HA 0.145 4.294 4.170 -0.035 0.000 0.285 220 I C 0.080 176.210 176.117 0.022 0.000 1.007 220 I CA -0.406 60.904 61.300 0.016 0.000 1.142 220 I CB 1.409 39.419 38.000 0.016 0.000 1.289 220 I HN 0.202 nan 8.210 nan 0.000 0.453 221 S N 7.397 123.110 115.700 0.023 0.000 2.438 221 S HA 0.593 5.042 4.470 -0.035 0.000 0.293 221 S C -0.189 174.432 174.600 0.034 0.000 1.141 221 S CA -0.477 57.740 58.200 0.027 0.000 1.080 221 S CB 1.041 64.255 63.200 0.023 0.000 0.978 221 S HN 0.375 nan 8.310 nan 0.000 0.479 222 I N 3.787 124.382 120.570 0.042 0.000 2.382 222 I HA 0.390 4.539 4.170 -0.035 0.000 0.286 222 I C 0.273 176.424 176.117 0.055 0.000 1.002 222 I CA -0.290 61.044 61.300 0.056 0.000 1.135 222 I CB 1.568 39.612 38.000 0.073 0.000 1.288 222 I HN 0.640 nan 8.210 nan 0.000 0.448 223 T N 1.896 116.482 114.554 0.054 0.000 2.887 223 T HA 0.528 4.857 4.350 -0.035 0.000 0.292 223 T C -0.710 174.023 174.700 0.055 0.000 1.087 223 T CA -0.895 61.235 62.100 0.050 0.000 1.009 223 T CB 2.297 71.187 68.868 0.037 0.000 1.203 223 T HN 0.496 nan 8.240 nan 0.000 0.518 224 Q N 1.340 121.170 119.800 0.050 0.000 2.695 224 Q HA 0.261 4.580 4.340 -0.035 0.000 0.246 224 Q C -1.963 174.055 176.000 0.031 0.000 0.961 224 Q CA -1.986 53.846 55.803 0.048 0.000 0.708 224 Q CB 2.087 30.860 28.738 0.057 0.000 1.282 224 Q HN 0.568 nan 8.270 nan 0.000 0.482 225 P HA -0.195 nan 4.420 nan 0.000 0.220 225 P C 0.144 177.451 177.300 0.013 0.000 1.144 225 P CA 1.353 64.465 63.100 0.019 0.000 0.800 225 P CB 0.504 32.216 31.700 0.019 0.000 0.772 226 E N -0.784 119.423 120.200 0.012 0.000 2.548 226 E HA 0.362 4.691 4.350 -0.035 0.000 0.206 226 E C 0.828 177.422 176.600 -0.010 0.000 1.005 226 E CA -0.005 56.396 56.400 0.003 0.000 0.951 226 E CB 0.458 30.161 29.700 0.005 0.000 1.035 226 E HN 0.206 nan 8.360 nan 0.000 0.470 227 G N 2.772 111.566 108.800 -0.011 0.000 2.760 227 G HA2 -0.203 3.736 3.960 -0.035 0.000 0.246 227 G HA3 -0.203 3.736 3.960 -0.035 0.000 0.246 227 G C -2.687 172.176 174.900 -0.061 0.000 1.359 227 G CA -0.802 44.273 45.100 -0.041 0.000 0.861 227 G HN 0.024 nan 8.290 nan 0.000 0.541 228 P HA 0.404 nan 4.420 nan 0.000 0.276 228 P C 0.455 177.635 177.300 -0.200 0.000 1.261 228 P CA 0.138 63.076 63.100 -0.271 0.000 0.800 228 P CB 1.391 32.558 31.700 -0.889 0.000 1.066 229 S N -0.480 115.226 115.700 0.010 0.000 2.517 229 S HA 0.158 4.607 4.470 -0.035 0.000 0.214 229 S C 0.668 175.421 174.600 0.256 0.000 0.991 229 S CA -0.025 58.265 58.200 0.150 0.000 0.906 229 S CB -0.596 62.763 63.200 0.266 0.000 0.789 229 S HN 0.553 nan 8.310 nan 0.000 0.513 230 F N 2.356 122.510 119.950 0.339 0.000 2.378 230 F HA 0.737 5.243 4.527 -0.035 0.000 0.325 230 F C 0.225 176.115 175.800 0.150 0.000 1.097 230 F CA -0.994 57.182 58.000 0.294 0.000 1.079 230 F CB 0.288 39.417 39.000 0.215 0.000 1.240 230 F HN -0.143 nan 8.300 nan 0.000 0.519 231 T N -0.429 114.282 114.554 0.261 0.000 2.863 231 T HA 0.719 5.048 4.350 -0.035 0.000 0.285 231 T C -1.151 173.687 174.700 0.230 0.000 1.009 231 T CA -0.834 61.354 62.100 0.146 0.000 0.989 231 T CB 1.472 70.411 68.868 0.118 0.000 1.004 231 T HN 0.661 nan 8.240 nan 0.000 0.455 232 V N 3.394 123.422 119.914 0.190 0.000 2.378 232 V HA 0.691 4.790 4.120 -0.035 0.000 0.288 232 V C 0.408 176.597 176.094 0.158 0.000 1.016 232 V CA -0.659 61.754 62.300 0.189 0.000 0.840 232 V CB 1.179 33.114 31.823 0.186 0.000 0.994 232 V HN 1.264 nan 8.190 nan 0.000 0.431 233 T N 0.201 114.871 114.554 0.194 0.000 2.907 233 T HA 0.678 5.007 4.350 -0.035 0.000 0.292 233 T C 0.780 175.571 174.700 0.151 0.000 1.043 233 T CA -0.065 62.128 62.100 0.155 0.000 1.003 233 T CB 1.749 70.706 68.868 0.149 0.000 1.084 233 T HN 1.724 nan 8.240 nan 0.000 0.483 234 G N 0.170 109.027 108.800 0.096 0.000 2.225 234 G HA2 0.110 4.049 3.960 -0.035 0.000 0.267 234 G HA3 0.110 4.049 3.960 -0.035 0.000 0.267 234 G C 1.326 176.283 174.900 0.096 0.000 1.024 234 G CA 0.847 45.996 45.100 0.081 0.000 0.784 234 G HN 2.375 nan 8.290 nan 0.000 0.507 235 G N -0.016 108.842 108.800 0.096 0.000 2.562 235 G HA2 -0.323 3.616 3.960 -0.035 0.000 0.241 235 G HA3 -0.323 3.616 3.960 -0.035 0.000 0.241 235 G C 0.922 175.883 174.900 0.102 0.000 1.120 235 G CA 1.391 46.545 45.100 0.090 0.000 0.673 235 G HN 2.243 nan 8.290 nan 0.000 0.519 236 N N -0.493 118.281 118.700 0.123 0.000 2.307 236 N HA 0.118 4.837 4.740 -0.035 0.000 0.248 236 N C -0.376 175.218 175.510 0.139 0.000 1.322 236 N CA 0.046 53.165 53.050 0.115 0.000 0.861 236 N CB -0.340 38.212 38.487 0.108 0.000 1.303 236 N HN 0.598 nan 8.380 nan 0.000 0.498 237 H N 1.287 120.401 119.070 0.074 0.000 2.519 237 H HA 0.431 4.966 4.556 -0.035 0.000 0.316 237 H C -0.751 174.630 175.328 0.088 0.000 1.065 237 H CA -0.384 55.706 56.048 0.070 0.000 1.264 237 H CB 1.114 30.919 29.762 0.070 0.000 1.413 237 H HN 0.047 nan 8.280 nan 0.000 0.465 238 I N 3.979 124.322 120.570 -0.378 0.000 2.392 238 I HA 0.169 4.318 4.170 -0.035 0.000 0.295 238 I C -0.231 175.769 176.117 -0.195 0.000 0.985 238 I CA -0.572 60.624 61.300 -0.172 0.000 1.221 238 I CB 1.836 39.768 38.000 -0.113 0.000 1.366 238 I HN 0.526 nan 8.210 nan 0.000 0.467 239 E N 4.985 125.229 120.200 0.072 0.000 2.216 239 E HA 0.410 4.739 4.350 -0.035 0.000 0.260 239 E C -1.909 174.883 176.600 0.320 0.000 0.880 239 E CA -0.466 56.021 56.400 0.146 0.000 0.765 239 E CB 1.430 31.223 29.700 0.154 0.000 1.174 239 E HN 0.484 nan 8.360 nan 0.000 0.417 240 W N 5.103 126.469 121.300 0.111 0.000 3.326 240 W HA 0.287 4.927 4.660 -0.034 0.000 0.333 240 W C -0.765 175.848 176.519 0.158 0.000 1.108 240 W CA -0.503 56.936 57.345 0.158 0.000 1.245 240 W CB 1.118 30.683 29.460 0.176 0.000 1.331 240 W HN 0.374 nan 8.180 nan 0.000 0.464 241 E N 6.183 126.099 120.200 -0.473 0.000 2.149 241 E HA -0.310 4.019 4.350 -0.035 0.000 0.191 241 E C 0.484 176.793 176.600 -0.485 0.000 1.384 241 E CA 1.726 57.747 56.400 -0.631 0.000 0.698 241 E CB -0.819 28.116 29.700 -1.274 0.000 1.086 241 E HN 0.750 nan 8.360 nan 0.000 0.338 242 K N -4.521 115.622 120.400 -0.428 0.000 3.578 242 K HA -0.233 4.066 4.320 -0.035 0.000 0.270 242 K C 0.314 176.499 176.600 -0.692 0.000 1.003 242 K CA 1.831 57.679 56.287 -0.732 0.000 1.128 242 K CB -1.820 29.778 32.500 -1.505 0.000 1.341 242 K HN 0.342 nan 8.250 nan 0.000 0.499 243 W N 1.680 122.784 121.300 -0.328 0.000 2.184 243 W HA 0.448 5.088 4.660 -0.034 0.000 0.338 243 W C 0.885 177.388 176.519 -0.027 0.000 1.257 243 W CA 0.061 57.365 57.345 -0.067 0.000 1.243 243 W CB 1.121 30.696 29.460 0.192 0.000 1.122 243 W HN 0.039 nan 8.180 nan 0.000 0.585 244 S N 3.563 119.438 115.700 0.291 0.000 2.572 244 S HA 0.790 5.239 4.470 -0.035 0.000 0.274 244 S C -1.141 173.488 174.600 0.049 0.000 1.150 244 S CA -0.759 57.500 58.200 0.099 0.000 0.944 244 S CB 0.123 63.396 63.200 0.121 0.000 1.071 244 S HN 0.547 nan 8.310 nan 0.000 0.479 245 L N 1.072 122.217 121.223 -0.129 0.000 2.999 245 L HA 0.783 5.102 4.340 -0.035 0.000 0.274 245 L C -2.078 174.699 176.870 -0.156 0.000 1.044 245 L CA -1.046 53.721 54.840 -0.122 0.000 0.943 245 L CB 1.713 43.686 42.059 -0.143 0.000 1.522 245 L HN 0.392 nan 8.230 nan 0.000 0.400 246 D N 1.298 121.660 120.400 -0.063 0.000 2.502 246 D HA 0.475 5.094 4.640 -0.035 0.000 0.249 246 D C -0.866 175.467 176.300 0.054 0.000 1.092 246 D CA -0.224 53.803 54.000 0.045 0.000 0.839 246 D CB 3.199 44.061 40.800 0.103 0.000 1.264 246 D HN 0.384 nan 8.370 nan 0.000 0.511 247 V N 2.264 122.206 119.914 0.045 0.000 2.353 247 V HA 0.478 4.577 4.120 -0.035 0.000 0.264 247 V C 1.020 177.194 176.094 0.134 0.000 1.049 247 V CA -0.401 61.918 62.300 0.031 0.000 0.896 247 V CB 0.992 32.810 31.823 -0.008 0.000 1.025 247 V HN 0.573 nan 8.190 nan 0.000 0.475 248 G N 3.097 112.014 108.800 0.196 0.000 2.511 248 G HA2 0.695 4.635 3.960 -0.035 0.000 0.316 248 G HA3 0.695 4.635 3.960 -0.035 0.000 0.316 248 G C -1.490 173.532 174.900 0.204 0.000 1.210 248 G CA -0.462 44.792 45.100 0.256 0.000 0.969 248 G HN 0.486 nan 8.290 nan 0.000 0.492 249 F N -0.042 119.911 119.950 0.005 0.000 2.588 249 F HA 0.485 4.991 4.527 -0.035 0.000 0.318 249 F C -1.429 174.339 175.800 -0.054 0.000 1.155 249 F CA -0.932 57.021 58.000 -0.078 0.000 0.967 249 F CB 2.482 41.417 39.000 -0.109 0.000 1.236 249 F HN 0.515 nan 8.300 nan 0.000 0.455 250 D N 3.777 123.786 120.400 -0.652 0.000 2.481 250 D HA 0.336 4.956 4.640 -0.035 0.000 0.244 250 D C 0.258 176.206 176.300 -0.587 0.000 1.057 250 D CA -0.541 53.230 54.000 -0.382 0.000 0.848 250 D CB 2.481 43.197 40.800 -0.140 0.000 1.388 250 D HN 0.357 nan 8.370 nan 0.000 0.475 251 V N 4.077 123.842 119.914 -0.248 0.000 2.490 251 V HA -0.144 3.955 4.120 -0.035 0.000 0.250 251 V C 2.153 178.196 176.094 -0.085 0.000 1.061 251 V CA 2.077 64.286 62.300 -0.152 0.000 1.064 251 V CB -0.366 31.415 31.823 -0.070 0.000 0.670 251 V HN 0.614 nan 8.190 nan 0.000 0.461 252 R N -0.488 120.026 120.500 0.024 0.000 2.057 252 R HA -0.061 4.258 4.340 -0.035 0.000 0.224 252 R C 2.166 178.433 176.300 -0.054 0.000 1.136 252 R CA 1.701 57.806 56.100 0.008 0.000 0.968 252 R CB -0.137 30.120 30.300 -0.072 0.000 0.863 252 R HN 0.582 nan 8.270 nan 0.000 0.433 253 E N -0.707 119.442 120.200 -0.085 0.000 2.318 253 E HA 0.152 4.481 4.350 -0.035 0.000 0.193 253 E C 0.705 177.202 176.600 -0.172 0.000 0.998 253 E CA 0.330 56.701 56.400 -0.049 0.000 0.859 253 E CB 0.673 30.392 29.700 0.031 0.000 0.812 253 E HN 0.565 nan 8.360 nan 0.000 0.492 254 G N 0.841 109.311 108.800 -0.550 0.000 2.481 254 G HA2 -0.283 3.656 3.960 -0.035 0.000 0.230 254 G HA3 -0.283 3.656 3.960 -0.035 0.000 0.230 254 G C -0.137 174.170 174.900 -0.988 0.000 1.210 254 G CA -0.375 44.062 45.100 -1.104 0.000 0.936 254 G HN 0.091 nan 8.290 nan 0.000 0.583 255 V N 0.592 120.097 119.914 -0.681 0.000 2.655 255 V HA 0.441 4.540 4.120 -0.035 0.000 0.300 255 V C 0.781 176.867 176.094 -0.013 0.000 1.044 255 V CA 0.256 62.502 62.300 -0.091 0.000 1.095 255 V CB 1.058 33.003 31.823 0.204 0.000 0.952 255 V HN 0.947 nan 8.190 nan 0.000 0.485 256 V N 6.191 126.043 119.914 -0.103 0.000 2.789 256 V HA 0.500 4.600 4.120 -0.035 0.000 0.311 256 V C -0.378 175.460 176.094 -0.428 0.000 1.073 256 V CA -0.645 61.499 62.300 -0.261 0.000 0.921 256 V CB 2.043 33.714 31.823 -0.253 0.000 1.009 256 V HN 0.615 nan 8.190 nan 0.000 0.426 257 L N 4.549 125.383 121.223 -0.647 0.000 2.317 257 L HA 0.680 4.999 4.340 -0.035 0.000 0.281 257 L C -0.579 175.893 176.870 -0.664 0.000 1.024 257 L CA -0.626 53.852 54.840 -0.603 0.000 0.810 257 L CB 1.438 43.057 42.059 -0.734 0.000 1.240 257 L HN 0.618 nan 8.230 nan 0.000 0.427 258 H N 3.054 121.966 119.070 -0.264 0.000 2.679 258 H HA 0.296 4.831 4.556 -0.035 0.000 0.367 258 H C -0.333 174.795 175.328 -0.334 0.000 1.162 258 H CA -0.769 55.094 56.048 -0.309 0.000 1.181 258 H CB 1.982 31.504 29.762 -0.400 0.000 1.693 258 H HN 0.576 nan 8.280 nan 0.000 0.538 259 N N 1.174 119.743 118.700 -0.218 0.000 2.714 259 N HA -0.196 4.523 4.740 -0.035 0.000 0.253 259 N C -0.331 175.118 175.510 -0.102 0.000 1.024 259 N CA 0.471 53.404 53.050 -0.195 0.000 0.726 259 N CB -1.341 36.987 38.487 -0.265 0.000 0.908 259 N HN 0.541 nan 8.380 nan 0.000 0.542 260 I N 0.625 121.133 120.570 -0.104 0.000 2.581 260 I HA 0.193 4.342 4.170 -0.035 0.000 0.285 260 I C 0.991 177.167 176.117 0.098 0.000 1.129 260 I CA 0.334 61.630 61.300 -0.005 0.000 1.397 260 I CB 0.412 38.370 38.000 -0.069 0.000 1.399 260 I HN 0.343 nan 8.210 nan 0.000 0.537 261 A N 6.983 129.933 122.820 0.216 0.000 2.539 261 A HA 0.748 5.047 4.320 -0.035 0.000 0.296 261 A C -1.500 176.244 177.584 0.265 0.000 1.073 261 A CA -0.440 51.716 52.037 0.199 0.000 0.700 261 A CB 1.357 20.421 19.000 0.106 0.000 1.296 261 A HN 0.507 nan 8.150 nan 0.000 0.405 262 F N 0.999 120.958 119.950 0.015 0.000 2.477 262 F HA 0.579 5.085 4.527 -0.035 0.000 0.335 262 F C 0.509 176.326 175.800 0.029 0.000 1.130 262 F CA -0.429 57.508 58.000 -0.106 0.000 0.948 262 F CB 1.604 40.469 39.000 -0.226 0.000 1.154 262 F HN 0.629 nan 8.300 nan 0.000 0.439 263 R N 4.277 124.710 120.500 -0.112 0.000 2.272 263 R HA 0.101 4.420 4.340 -0.035 0.000 0.334 263 R C -0.832 175.557 176.300 0.148 0.000 1.117 263 R CA -0.255 55.854 56.100 0.016 0.000 0.966 263 R CB -0.114 30.143 30.300 -0.071 0.000 1.049 263 R HN 0.538 nan 8.270 nan 0.000 0.477 264 D N 4.259 124.832 120.400 0.288 0.000 2.470 264 D HA 0.177 4.796 4.640 -0.035 0.000 0.226 264 D C 1.058 177.447 176.300 0.149 0.000 1.196 264 D CA 1.115 55.306 54.000 0.318 0.000 0.979 264 D CB 0.475 41.438 40.800 0.272 0.000 1.059 264 D HN 0.783 nan 8.370 nan 0.000 0.515 265 G N 4.915 113.780 108.800 0.108 0.000 2.815 265 G HA2 -0.437 3.502 3.960 -0.035 0.000 0.326 265 G HA3 -0.437 3.502 3.960 -0.035 0.000 0.326 265 G C 1.011 175.932 174.900 0.035 0.000 1.191 265 G CA 0.745 45.878 45.100 0.054 0.000 0.965 265 G HN 0.561 nan 8.290 nan 0.000 0.564 266 D N 1.912 122.331 120.400 0.032 0.000 2.110 266 D HA 0.048 4.667 4.640 -0.035 0.000 0.202 266 D C 1.481 177.796 176.300 0.024 0.000 0.975 266 D CA 0.891 54.903 54.000 0.021 0.000 0.839 266 D CB -0.200 40.609 40.800 0.014 0.000 0.996 266 D HN 0.581 nan 8.370 nan 0.000 0.464 267 R N 0.300 120.817 120.500 0.029 0.000 2.539 267 R HA 0.366 4.685 4.340 -0.035 0.000 0.275 267 R C -0.065 176.267 176.300 0.052 0.000 1.077 267 R CA -0.577 55.541 56.100 0.029 0.000 1.097 267 R CB 1.130 31.437 30.300 0.012 0.000 1.018 267 R HN 0.176 nan 8.270 nan 0.000 0.483 268 L N 4.715 125.965 121.223 0.047 0.000 2.264 268 L HA 0.351 4.670 4.340 -0.035 0.000 0.287 268 L C -0.586 176.326 176.870 0.070 0.000 1.039 268 L CA -0.326 54.553 54.840 0.064 0.000 0.829 268 L CB 0.342 42.431 42.059 0.051 0.000 1.211 268 L HN 0.695 nan 8.230 nan 0.000 0.427 269 R N 6.185 126.758 120.500 0.121 0.000 2.294 269 R HA 0.605 4.924 4.340 -0.035 0.000 0.319 269 R C -2.708 173.684 176.300 0.154 0.000 0.984 269 R CA -1.970 54.205 56.100 0.125 0.000 0.861 269 R CB 1.055 31.430 30.300 0.126 0.000 1.104 269 R HN 0.418 nan 8.270 nan 0.000 0.451 270 P HA 0.137 nan 4.420 nan 0.000 0.275 270 P C -0.130 177.158 177.300 -0.020 0.000 1.228 270 P CA -0.243 62.847 63.100 -0.017 0.000 0.786 270 P CB 1.376 32.990 31.700 -0.142 0.000 0.927 271 I N 1.516 122.019 120.570 -0.111 0.000 3.650 271 I HA 0.242 4.391 4.170 -0.035 0.000 0.261 271 I C 0.767 176.737 176.117 -0.245 0.000 1.154 271 I CA 0.243 61.377 61.300 -0.276 0.000 1.418 271 I CB 0.337 38.067 38.000 -0.450 0.000 1.539 271 I HN 0.146 nan 8.210 nan 0.000 0.449 272 I N 1.309 121.766 120.570 -0.190 0.000 2.499 272 I HA 0.164 4.313 4.170 -0.035 0.000 0.288 272 I C 0.652 176.673 176.117 -0.159 0.000 1.048 272 I CA -0.248 60.950 61.300 -0.170 0.000 1.062 272 I CB 2.098 39.996 38.000 -0.169 0.000 1.238 272 I HN 0.123 nan 8.210 nan 0.000 0.426 273 N N 5.289 123.913 118.700 -0.126 0.000 2.171 273 N HA 0.003 4.722 4.740 -0.035 0.000 0.184 273 N C 0.570 176.020 175.510 -0.100 0.000 1.021 273 N CA 0.984 53.987 53.050 -0.079 0.000 0.854 273 N CB 0.534 39.076 38.487 0.091 0.000 0.994 273 N HN 0.543 nan 8.380 nan 0.000 0.426 274 R N -0.152 120.266 120.500 -0.137 0.000 2.548 274 R HA 0.489 4.808 4.340 -0.035 0.000 0.280 274 R C -2.071 174.062 176.300 -0.277 0.000 1.061 274 R CA -0.527 55.441 56.100 -0.220 0.000 0.915 274 R CB 1.920 32.146 30.300 -0.123 0.000 1.210 274 R HN 0.053 nan 8.270 nan 0.000 0.442 275 A N 2.310 124.883 122.820 -0.411 0.000 2.343 275 A HA 0.713 5.012 4.320 -0.035 0.000 0.308 275 A C -1.068 176.298 177.584 -0.363 0.000 1.092 275 A CA -0.436 51.347 52.037 -0.422 0.000 0.751 275 A CB 1.473 20.020 19.000 -0.755 0.000 1.203 275 A HN 0.813 nan 8.150 nan 0.000 0.452 276 S N 1.413 117.095 115.700 -0.030 0.000 2.587 276 S HA 0.634 5.083 4.470 -0.035 0.000 0.269 276 S C -1.108 173.634 174.600 0.236 0.000 1.154 276 S CA -0.725 57.562 58.200 0.144 0.000 0.824 276 S CB 0.838 64.041 63.200 0.005 0.000 1.118 276 S HN 0.541 nan 8.310 nan 0.000 0.462 277 I N 2.374 123.102 120.570 0.264 0.000 2.269 277 I HA 0.373 4.522 4.170 -0.035 0.000 0.293 277 I C 1.419 177.648 176.117 0.186 0.000 1.106 277 I CA -0.475 60.942 61.300 0.195 0.000 1.248 277 I CB 0.092 38.278 38.000 0.309 0.000 1.444 277 I HN 0.983 nan 8.210 nan 0.000 0.497 278 A N 5.029 127.930 122.820 0.134 0.000 2.167 278 A HA 0.060 4.359 4.320 -0.035 0.000 0.214 278 A C 0.820 178.458 177.584 0.090 0.000 1.151 278 A CA 1.013 53.153 52.037 0.173 0.000 0.735 278 A CB 0.076 19.206 19.000 0.218 0.000 0.802 278 A HN 0.659 nan 8.150 nan 0.000 0.467 279 E N -2.269 117.913 120.200 -0.030 0.000 2.422 279 E HA 0.589 4.918 4.350 -0.035 0.000 0.280 279 E C -1.216 175.318 176.600 -0.110 0.000 1.091 279 E CA -0.416 55.907 56.400 -0.127 0.000 0.849 279 E CB 0.846 30.277 29.700 -0.448 0.000 1.353 279 E HN 0.252 nan 8.360 nan 0.000 0.449 280 M N 2.931 122.474 119.600 -0.095 0.000 2.298 280 M HA 0.419 4.878 4.480 -0.035 0.000 0.255 280 M C -1.841 174.306 176.300 -0.255 0.000 1.021 280 M CA -0.692 54.436 55.300 -0.286 0.000 0.968 280 M CB 1.060 33.426 32.600 -0.390 0.000 2.037 280 M HN 0.454 nan 8.290 nan 0.000 0.478 281 V N 2.471 122.204 119.914 -0.302 0.000 2.581 281 V HA 0.871 4.970 4.120 -0.035 0.000 0.303 281 V C -0.881 174.956 176.094 -0.428 0.000 1.041 281 V CA -0.539 61.489 62.300 -0.455 0.000 0.907 281 V CB 1.753 33.199 31.823 -0.628 0.000 0.994 281 V HN 0.626 nan 8.190 nan 0.000 0.442 282 V N 5.576 125.296 119.914 -0.323 0.000 2.315 282 V HA 0.398 4.497 4.120 -0.035 0.000 0.265 282 V C -2.355 173.646 176.094 -0.156 0.000 1.019 282 V CA -1.154 60.953 62.300 -0.323 0.000 0.824 282 V CB 1.136 32.750 31.823 -0.348 0.000 1.072 282 V HN 0.883 nan 8.190 nan 0.000 0.448 283 P HA 0.336 nan 4.420 nan 0.000 0.285 283 P C -1.331 175.870 177.300 -0.165 0.000 1.259 283 P CA -0.310 62.733 63.100 -0.096 0.000 0.794 283 P CB 1.125 32.744 31.700 -0.136 0.000 0.940 284 Y N 0.524 120.798 120.300 -0.045 0.000 2.342 284 Y HA 0.461 4.991 4.550 -0.033 0.000 0.334 284 Y C 1.680 177.581 175.900 0.003 0.000 1.067 284 Y CA 0.168 58.264 58.100 -0.007 0.000 1.128 284 Y CB 1.433 39.846 38.460 -0.079 0.000 1.200 284 Y HN 0.477 nan 8.280 nan 0.000 0.464 285 G N 1.607 110.481 108.800 0.122 0.000 3.820 285 G HA2 -0.000 3.939 3.960 -0.035 0.000 0.293 285 G HA3 -0.000 3.939 3.960 -0.035 0.000 0.293 285 G C -0.614 174.350 174.900 0.106 0.000 1.152 285 G CA -0.207 44.963 45.100 0.116 0.000 0.921 285 G HN 0.498 nan 8.290 nan 0.000 0.544 286 D N 1.308 121.762 120.400 0.091 0.000 2.313 286 D HA 0.227 4.846 4.640 -0.035 0.000 0.239 286 D C -1.096 175.207 176.300 0.005 0.000 1.142 286 D CA -2.281 51.734 54.000 0.026 0.000 0.847 286 D CB 2.329 43.146 40.800 0.028 0.000 1.082 286 D HN 0.055 nan 8.370 nan 0.000 0.480 287 P HA -0.051 nan 4.420 nan 0.000 0.237 287 P C 0.446 177.752 177.300 0.011 0.000 1.178 287 P CA 0.027 63.136 63.100 0.015 0.000 0.766 287 P CB 0.212 31.927 31.700 0.026 0.000 0.876 288 S N 1.408 117.106 115.700 -0.003 0.000 2.549 288 S HA 0.095 4.544 4.470 -0.035 0.000 0.286 288 S C -1.349 173.268 174.600 0.027 0.000 1.314 288 S CA -0.935 57.271 58.200 0.011 0.000 1.062 288 S CB 0.307 63.494 63.200 -0.021 0.000 0.865 288 S HN -0.080 nan 8.310 nan 0.000 0.498 289 P HA -0.101 nan 4.420 nan 0.000 0.219 289 P C 1.205 178.656 177.300 0.251 0.000 1.146 289 P CA 0.708 63.901 63.100 0.154 0.000 0.808 289 P CB 0.032 31.822 31.700 0.150 0.000 0.779 290 I N -1.043 119.629 120.570 0.171 0.000 2.394 290 I HA -0.138 4.011 4.170 -0.035 0.000 0.251 290 I C 1.741 177.998 176.117 0.234 0.000 1.136 290 I CA 1.660 63.099 61.300 0.230 0.000 1.425 290 I CB -0.978 37.058 38.000 0.060 0.000 1.079 290 I HN 0.040 nan 8.210 nan 0.000 0.425 291 R N -0.636 119.803 120.500 -0.101 0.000 2.541 291 R HA 0.102 4.421 4.340 -0.035 0.000 0.332 291 R C 1.849 177.728 176.300 -0.702 0.000 0.951 291 R CA 0.468 56.235 56.100 -0.555 0.000 1.136 291 R CB 0.292 30.416 30.300 -0.294 0.000 1.449 291 R HN 0.274 nan 8.270 nan 0.000 0.531 292 S N 0.656 116.123 115.700 -0.387 0.000 2.537 292 S HA -0.106 4.344 4.470 -0.035 0.000 0.240 292 S C 1.281 175.688 174.600 -0.322 0.000 0.981 292 S CA 0.379 58.433 58.200 -0.244 0.000 0.948 292 S CB -0.363 62.790 63.200 -0.078 0.000 0.759 292 S HN 0.609 nan 8.310 nan 0.000 0.531 293 W N 0.342 121.482 121.300 -0.267 0.000 3.177 293 W HA 0.395 5.032 4.660 -0.039 0.000 0.309 293 W C 0.457 176.976 176.519 0.001 0.000 1.224 293 W CA -0.665 56.386 57.345 -0.489 0.000 1.718 293 W CB -0.580 28.422 29.460 -0.764 0.000 1.078 293 W HN 0.266 nan 8.180 nan 0.000 0.618 294 Q N 2.978 122.259 119.800 -0.864 0.000 2.263 294 Q HA 0.077 4.396 4.340 -0.035 0.000 0.270 294 Q C -0.781 175.192 176.000 -0.045 0.000 1.104 294 Q CA 0.782 56.166 55.803 -0.698 0.000 0.909 294 Q CB 0.066 28.117 28.738 -1.145 0.000 1.214 294 Q HN 0.029 nan 8.270 nan 0.000 0.400 295 N N 4.797 123.579 118.700 0.137 0.000 2.629 295 N HA 0.102 4.821 4.740 -0.035 0.000 0.277 295 N C -1.857 173.837 175.510 0.306 0.000 1.188 295 N CA -0.394 52.804 53.050 0.247 0.000 0.835 295 N CB 0.905 39.570 38.487 0.298 0.000 1.420 295 N HN 0.423 nan 8.380 nan 0.000 0.542 296 Y N 0.955 121.320 120.300 0.108 0.000 2.359 296 Y HA 0.294 4.822 4.550 -0.037 0.000 0.334 296 Y C 0.395 176.362 175.900 0.112 0.000 1.058 296 Y CA -0.178 58.035 58.100 0.188 0.000 1.244 296 Y CB 0.362 38.789 38.460 -0.054 0.000 1.187 296 Y HN 0.355 nan 8.280 nan 0.000 0.510 297 F N 3.081 123.270 119.950 0.398 0.000 2.344 297 F HA 0.211 4.716 4.527 -0.036 0.000 0.344 297 F C 0.707 176.709 175.800 0.336 0.000 1.140 297 F CA -0.677 57.477 58.000 0.256 0.000 1.256 297 F CB 0.230 39.340 39.000 0.184 0.000 1.573 297 F HN 0.560 nan 8.300 nan 0.000 0.547 298 D N -0.182 120.412 120.400 0.324 0.000 2.149 298 D HA -0.205 4.414 4.640 -0.035 0.000 0.194 298 D C 1.981 178.475 176.300 0.325 0.000 1.001 298 D CA 1.954 56.116 54.000 0.270 0.000 0.849 298 D CB 0.013 40.846 40.800 0.055 0.000 0.939 298 D HN 0.366 nan 8.370 nan 0.000 0.449 299 T N -0.898 113.789 114.554 0.222 0.000 2.852 299 T HA 0.027 4.356 4.350 -0.035 0.000 0.256 299 T C 2.079 176.842 174.700 0.104 0.000 1.038 299 T CA 1.113 63.305 62.100 0.153 0.000 1.141 299 T CB -0.603 68.319 68.868 0.090 0.000 0.869 299 T HN 0.291 nan 8.240 nan 0.000 0.439 300 G N 1.113 109.985 108.800 0.121 0.000 2.394 300 G HA2 -0.110 3.829 3.960 -0.035 0.000 0.215 300 G HA3 -0.110 3.829 3.960 -0.035 0.000 0.215 300 G C 1.457 176.386 174.900 0.049 0.000 1.165 300 G CA 0.526 45.626 45.100 0.000 0.000 0.784 300 G HN 0.482 nan 8.290 nan 0.000 0.535 301 E N -0.967 119.357 120.200 0.206 0.000 2.127 301 E HA 0.077 4.406 4.350 -0.035 0.000 0.191 301 E C 1.943 178.631 176.600 0.147 0.000 0.964 301 E CA 0.444 56.919 56.400 0.124 0.000 0.832 301 E CB 0.043 29.809 29.700 0.110 0.000 0.790 301 E HN 0.545 nan 8.360 nan 0.000 0.465 302 Y N 0.057 120.549 120.300 0.320 0.000 2.509 302 Y HA 0.284 4.812 4.550 -0.036 0.000 0.270 302 Y C 0.057 176.237 175.900 0.466 0.000 1.103 302 Y CA -0.036 58.345 58.100 0.468 0.000 1.278 302 Y CB 0.317 39.045 38.460 0.446 0.000 1.087 302 Y HN -0.147 nan 8.280 nan 0.000 0.542 303 L N 0.700 122.182 121.223 0.431 0.000 2.827 303 L HA -0.192 4.127 4.340 -0.035 0.000 0.637 303 L C 1.035 178.089 176.870 0.307 0.000 1.007 303 L CA 0.084 55.078 54.840 0.258 0.000 1.336 303 L CB -1.367 40.790 42.059 0.164 0.000 1.826 303 L HN 0.163 nan 8.230 nan 0.000 0.871 304 V N 0.105 120.172 119.914 0.254 0.000 2.515 304 V HA -0.050 4.049 4.120 -0.035 0.000 0.250 304 V C 2.106 178.339 176.094 0.230 0.000 1.058 304 V CA 2.085 64.557 62.300 0.287 0.000 1.064 304 V CB -0.274 31.651 31.823 0.170 0.000 0.675 304 V HN 0.867 nan 8.190 nan 0.000 0.461 305 G N -0.445 108.368 108.800 0.022 0.000 2.422 305 G HA2 -0.284 3.655 3.960 -0.035 0.000 0.218 305 G HA3 -0.284 3.655 3.960 -0.035 0.000 0.218 305 G C 1.553 176.528 174.900 0.124 0.000 1.140 305 G CA 0.872 45.921 45.100 -0.086 0.000 0.775 305 G HN 0.646 nan 8.290 nan 0.000 0.545 306 Q N -0.638 119.150 119.800 -0.020 0.000 2.170 306 Q HA -0.124 4.195 4.340 -0.035 0.000 0.203 306 Q C 1.176 177.037 176.000 -0.231 0.000 0.976 306 Q CA 1.085 56.770 55.803 -0.196 0.000 0.858 306 Q CB -0.168 28.290 28.738 -0.466 0.000 0.907 306 Q HN 0.611 nan 8.270 nan 0.000 0.433 307 Y N -0.113 120.326 120.300 0.232 0.000 2.532 307 Y HA 0.423 4.953 4.550 -0.033 0.000 0.283 307 Y C 0.365 176.418 175.900 0.253 0.000 1.181 307 Y CA -0.263 57.972 58.100 0.226 0.000 1.256 307 Y CB -0.169 38.422 38.460 0.219 0.000 1.112 307 Y HN 0.081 nan 8.280 nan 0.000 0.521 308 A N 1.033 124.079 122.820 0.378 0.000 2.520 308 A HA 0.127 4.426 4.320 -0.035 0.000 0.245 308 A C 0.274 178.033 177.584 0.292 0.000 1.072 308 A CA -0.408 51.877 52.037 0.413 0.000 0.761 308 A CB -0.074 19.179 19.000 0.421 0.000 1.004 308 A HN 0.342 nan 8.150 nan 0.000 0.499 309 N N 0.924 119.802 118.700 0.298 0.000 2.424 309 N HA 0.244 4.963 4.740 -0.035 0.000 0.257 309 N C -0.333 175.261 175.510 0.140 0.000 1.250 309 N CA -0.106 53.064 53.050 0.200 0.000 0.946 309 N CB 0.626 39.222 38.487 0.182 0.000 1.175 309 N HN 0.472 nan 8.380 nan 0.000 0.477 310 S N 0.806 116.553 115.700 0.078 0.000 2.415 310 S HA 0.320 4.769 4.470 -0.035 0.000 0.313 310 S C 0.168 174.778 174.600 0.016 0.000 1.067 310 S CA -0.621 57.592 58.200 0.022 0.000 1.099 310 S CB -0.381 62.813 63.200 -0.010 0.000 0.991 310 S HN 0.231 nan 8.310 nan 0.000 0.491 311 L N 3.470 124.725 121.223 0.052 0.000 2.455 311 L HA 0.256 4.575 4.340 -0.035 0.000 0.272 311 L C 0.706 177.595 176.870 0.031 0.000 1.174 311 L CA -0.362 54.532 54.840 0.090 0.000 0.869 311 L CB 0.229 42.427 42.059 0.232 0.000 1.130 311 L HN 0.371 nan 8.230 nan 0.000 0.474 312 E N 2.459 122.680 120.200 0.035 0.000 2.313 312 E HA 0.303 4.632 4.350 -0.035 0.000 0.272 312 E C -0.529 176.131 176.600 0.101 0.000 1.038 312 E CA -0.890 55.525 56.400 0.024 0.000 0.863 312 E CB 1.900 31.603 29.700 0.006 0.000 1.060 312 E HN 0.258 nan 8.360 nan 0.000 0.402 313 L N 1.003 122.289 121.223 0.104 0.000 2.380 313 L HA 0.334 4.653 4.340 -0.035 0.000 0.273 313 L C 1.319 178.232 176.870 0.072 0.000 1.138 313 L CA 1.433 56.358 54.840 0.142 0.000 0.832 313 L CB 0.634 42.781 42.059 0.146 0.000 1.124 313 L HN 0.762 nan 8.230 nan 0.000 0.454 314 G N 2.123 110.956 108.800 0.055 0.000 2.245 314 G HA2 -0.349 3.590 3.960 -0.035 0.000 0.264 314 G HA3 -0.349 3.590 3.960 -0.035 0.000 0.264 314 G C 0.805 175.721 174.900 0.027 0.000 0.985 314 G CA 0.630 45.751 45.100 0.034 0.000 0.625 314 G HN 0.772 nan 8.290 nan 0.000 0.536 315 C N -0.858 118.460 119.300 0.030 0.000 2.508 315 C HA 0.322 4.761 4.460 -0.035 0.000 0.303 315 C C 2.166 177.164 174.990 0.014 0.000 1.496 315 C CA 1.140 60.166 59.018 0.014 0.000 2.041 315 C CB -0.455 27.287 27.740 0.004 0.000 2.011 315 C HN 0.470 nan 8.230 nan 0.000 0.655 316 D N -0.062 120.356 120.400 0.030 0.000 2.216 316 D HA 0.062 4.681 4.640 -0.035 0.000 0.208 316 D C 0.091 176.439 176.300 0.080 0.000 0.960 316 D CA 1.072 55.100 54.000 0.046 0.000 0.861 316 D CB 0.208 41.041 40.800 0.054 0.000 0.985 316 D HN 0.402 nan 8.370 nan 0.000 0.493 317 c N 1.867 120.496 118.600 0.049 0.000 2.383 317 c HA 0.463 5.012 4.570 -0.035 0.000 0.330 317 c C -0.254 173.784 174.090 -0.087 0.000 1.168 317 c CA -1.143 55.146 56.329 -0.067 0.000 1.374 317 c CB 0.697 43.114 42.510 -0.156 0.000 2.014 317 c HN 0.164 nan 8.230 nan 0.000 0.439 318 L N 4.061 125.237 121.223 -0.078 0.000 2.357 318 L HA 0.946 5.265 4.340 -0.035 0.000 0.273 318 L C 0.612 177.457 176.870 -0.042 0.000 1.080 318 L CA 1.940 56.765 54.840 -0.026 0.000 0.803 318 L CB 0.909 42.984 42.059 0.026 0.000 1.174 318 L HN 1.099 nan 8.230 nan 0.000 0.443 319 G N 3.065 111.868 108.800 0.004 0.000 2.472 319 G HA2 -0.168 3.771 3.960 -0.035 0.000 0.205 319 G HA3 -0.168 3.771 3.960 -0.035 0.000 0.205 319 G C -1.001 173.916 174.900 0.028 0.000 1.270 319 G CA -0.157 44.967 45.100 0.040 0.000 0.974 319 G HN 0.798 nan 8.290 nan 0.000 0.542 320 D N 1.386 121.828 120.400 0.070 0.000 2.393 320 D HA 0.429 5.048 4.640 -0.035 0.000 0.232 320 D C 0.330 176.676 176.300 0.076 0.000 1.192 320 D CA -0.198 53.842 54.000 0.068 0.000 0.882 320 D CB 0.088 40.936 40.800 0.079 0.000 1.038 320 D HN 0.385 nan 8.370 nan 0.000 0.499 321 I N 2.405 122.966 120.570 -0.016 0.000 2.437 321 I HA 0.239 4.388 4.170 -0.035 0.000 0.298 321 I C 0.625 176.676 176.117 -0.111 0.000 0.984 321 I CA -0.539 60.673 61.300 -0.146 0.000 1.214 321 I CB 1.589 39.322 38.000 -0.446 0.000 1.365 321 I HN 0.123 nan 8.210 nan 0.000 0.469 322 T N 5.953 120.467 114.554 -0.066 0.000 2.815 322 T HA 0.484 4.813 4.350 -0.035 0.000 0.289 322 T C -0.572 174.068 174.700 -0.099 0.000 1.000 322 T CA -0.295 61.829 62.100 0.040 0.000 0.958 322 T CB 0.363 69.415 68.868 0.307 0.000 0.944 322 T HN 0.159 nan 8.240 nan 0.000 0.442 323 Y N 2.285 122.630 120.300 0.075 0.000 2.320 323 Y HA 0.590 5.119 4.550 -0.035 0.000 0.324 323 Y C 0.344 176.258 175.900 0.023 0.000 1.190 323 Y CA -1.130 56.992 58.100 0.037 0.000 1.215 323 Y CB 0.902 39.373 38.460 0.018 0.000 1.221 323 Y HN 0.344 nan 8.280 nan 0.000 0.486 324 L N 1.791 123.119 121.223 0.175 0.000 2.365 324 L HA 0.465 4.785 4.340 -0.035 0.000 0.273 324 L C -0.607 176.272 176.870 0.015 0.000 1.000 324 L CA -0.586 54.295 54.840 0.069 0.000 0.819 324 L CB 1.934 44.005 42.059 0.020 0.000 1.284 324 L HN 0.561 nan 8.230 nan 0.000 0.418 325 S N 3.846 119.529 115.700 -0.028 0.000 2.426 325 S HA 0.324 4.773 4.470 -0.035 0.000 0.236 325 S C -2.298 172.222 174.600 -0.133 0.000 1.368 325 S CA -1.027 57.120 58.200 -0.088 0.000 1.154 325 S CB 0.804 63.972 63.200 -0.053 0.000 1.037 325 S HN 0.402 nan 8.310 nan 0.000 0.481 326 P HA 0.200 nan 4.420 nan 0.000 0.269 326 P C -0.772 176.434 177.300 -0.157 0.000 1.215 326 P CA -0.264 62.668 63.100 -0.280 0.000 0.780 326 P CB 0.787 32.016 31.700 -0.784 0.000 0.898 327 V N 4.119 124.014 119.914 -0.031 0.000 2.417 327 V HA 0.404 4.503 4.120 -0.035 0.000 0.291 327 V C 0.689 176.824 176.094 0.068 0.000 1.024 327 V CA -0.589 61.718 62.300 0.011 0.000 0.861 327 V CB 1.170 33.005 31.823 0.021 0.000 0.985 327 V HN 0.481 nan 8.190 nan 0.000 0.436 328 I N 1.333 121.938 120.570 0.058 0.000 3.133 328 I HA 0.819 4.969 4.170 -0.035 0.000 0.311 328 I C -0.012 176.116 176.117 0.019 0.000 1.072 328 I CA -0.588 60.748 61.300 0.060 0.000 1.015 328 I CB 2.238 40.286 38.000 0.081 0.000 1.233 328 I HN 0.514 nan 8.210 nan 0.000 0.473 329 S N 0.764 116.457 115.700 -0.012 0.000 2.617 329 S HA 0.411 4.860 4.470 -0.035 0.000 0.283 329 S C -0.646 173.944 174.600 -0.017 0.000 1.189 329 S CA -0.562 57.624 58.200 -0.022 0.000 1.036 329 S CB 0.903 64.070 63.200 -0.055 0.000 1.014 329 S HN 0.825 nan 8.310 nan 0.000 0.522 330 D N 2.037 122.442 120.400 0.008 0.000 2.539 330 D HA 0.479 5.098 4.640 -0.035 0.000 0.276 330 D C 1.177 177.451 176.300 -0.044 0.000 1.206 330 D CA -0.190 53.820 54.000 0.017 0.000 1.081 330 D CB 0.005 40.858 40.800 0.087 0.000 1.142 330 D HN 0.475 nan 8.370 nan 0.000 0.595 331 A N -1.191 121.552 122.820 -0.128 0.000 2.125 331 A HA -0.028 4.271 4.320 -0.035 0.000 0.219 331 A C 1.374 178.592 177.584 -0.611 0.000 1.156 331 A CA 0.853 52.653 52.037 -0.396 0.000 0.671 331 A CB -0.917 17.734 19.000 -0.581 0.000 0.794 331 A HN 0.463 nan 8.150 nan 0.000 0.459 332 F N -1.871 118.088 119.950 0.016 0.000 2.682 332 F HA 0.415 4.921 4.527 -0.035 0.000 0.308 332 F C 1.674 177.470 175.800 -0.007 0.000 1.093 332 F CA 0.341 58.345 58.000 0.007 0.000 1.244 332 F CB 0.458 39.462 39.000 0.007 0.000 1.052 332 F HN 0.290 nan 8.300 nan 0.000 0.573 333 G N 0.615 109.468 108.800 0.087 0.000 2.176 333 G HA2 -0.274 3.665 3.960 -0.035 0.000 0.232 333 G HA3 -0.274 3.665 3.960 -0.035 0.000 0.232 333 G C -0.185 174.732 174.900 0.029 0.000 0.986 333 G CA -0.448 44.672 45.100 0.034 0.000 0.643 333 G HN 0.408 nan 8.290 nan 0.000 0.522 334 N N 2.747 121.486 118.700 0.066 0.000 2.444 334 N HA 0.505 5.224 4.740 -0.035 0.000 0.271 334 N C -2.237 173.288 175.510 0.024 0.000 1.069 334 N CA -1.208 51.867 53.050 0.043 0.000 0.965 334 N CB 1.655 40.181 38.487 0.065 0.000 1.092 334 N HN 0.151 nan 8.380 nan 0.000 0.476 335 P HA 0.014 nan 4.420 nan 0.000 0.269 335 P C -0.955 176.353 177.300 0.014 0.000 1.209 335 P CA 0.066 63.168 63.100 0.003 0.000 0.776 335 P CB 0.916 32.613 31.700 -0.006 0.000 0.876 336 R N 1.847 122.357 120.500 0.015 0.000 2.533 336 R HA 0.250 4.569 4.340 -0.035 0.000 0.288 336 R C -0.608 175.696 176.300 0.006 0.000 1.039 336 R CA -0.619 55.491 56.100 0.017 0.000 0.909 336 R CB 1.591 31.907 30.300 0.028 0.000 1.195 336 R HN 0.568 nan 8.270 nan 0.000 0.438 337 E N 5.656 125.853 120.200 -0.005 0.000 2.216 337 E HA 0.244 4.573 4.350 -0.035 0.000 0.279 337 E C -0.411 176.165 176.600 -0.039 0.000 0.997 337 E CA -0.798 55.585 56.400 -0.028 0.000 0.817 337 E CB 1.211 30.893 29.700 -0.030 0.000 1.096 337 E HN 0.409 nan 8.360 nan 0.000 0.393 338 I N 4.020 124.540 120.570 -0.083 0.000 2.276 338 I HA 0.156 4.305 4.170 -0.035 0.000 0.290 338 I C 0.536 176.593 176.117 -0.100 0.000 1.109 338 I CA -0.448 60.800 61.300 -0.085 0.000 1.229 338 I CB -0.154 37.756 38.000 -0.150 0.000 1.452 338 I HN 0.710 nan 8.210 nan 0.000 0.497 339 R N 6.799 127.257 120.500 -0.071 0.000 2.502 339 R HA -0.031 4.288 4.340 -0.035 0.000 0.292 339 R C 0.383 176.608 176.300 -0.125 0.000 0.998 339 R CA 0.384 56.430 56.100 -0.090 0.000 1.056 339 R CB 0.087 30.340 30.300 -0.079 0.000 0.939 339 R HN 0.550 nan 8.270 nan 0.000 0.411 340 N N 2.479 121.084 118.700 -0.158 0.000 2.721 340 N HA -0.168 4.552 4.740 -0.035 0.000 0.249 340 N C 0.474 175.983 175.510 -0.001 0.000 1.072 340 N CA 1.273 54.182 53.050 -0.236 0.000 0.710 340 N CB -1.228 36.850 38.487 -0.682 0.000 0.993 340 N HN 0.885 nan 8.380 nan 0.000 0.547 341 G N -1.089 107.706 108.800 -0.009 0.000 2.813 341 G HA2 0.274 4.213 3.960 -0.035 0.000 0.209 341 G HA3 0.274 4.213 3.960 -0.035 0.000 0.209 341 G C 0.484 175.437 174.900 0.088 0.000 1.150 341 G CA 0.196 45.302 45.100 0.010 0.000 0.785 341 G HN 0.441 nan 8.290 nan 0.000 0.535 342 I N 0.290 120.935 120.570 0.124 0.000 2.499 342 I HA 0.290 4.439 4.170 -0.035 0.000 0.288 342 I C -0.860 175.342 176.117 0.142 0.000 1.048 342 I CA -0.899 60.481 61.300 0.133 0.000 1.062 342 I CB 2.436 40.455 38.000 0.031 0.000 1.238 342 I HN -0.215 nan 8.210 nan 0.000 0.426 343 c N 6.870 125.510 118.600 0.066 0.000 2.319 343 c HA 0.650 5.199 4.570 -0.035 0.000 0.335 343 c C 0.118 174.174 174.090 -0.057 0.000 1.274 343 c CA -0.498 55.768 56.329 -0.105 0.000 1.806 343 c CB 0.569 43.031 42.510 -0.080 0.000 2.329 343 c HN 0.652 nan 8.230 nan 0.000 0.524 344 M N 6.041 125.565 119.600 -0.125 0.000 2.197 344 M HA 0.501 4.960 4.480 -0.035 0.000 0.301 344 M C -0.574 175.657 176.300 -0.116 0.000 0.987 344 M CA -0.060 55.118 55.300 -0.203 0.000 0.921 344 M CB 1.530 33.973 32.600 -0.261 0.000 1.569 344 M HN 0.935 nan 8.290 nan 0.000 0.431 345 H N 1.096 119.890 119.070 -0.459 0.000 2.987 345 H HA 0.458 4.993 4.556 -0.035 0.000 0.316 345 H C -2.071 173.091 175.328 -0.277 0.000 1.380 345 H CA -1.154 54.778 56.048 -0.192 0.000 1.160 345 H CB 0.911 30.662 29.762 -0.019 0.000 1.865 345 H HN 0.723 nan 8.280 nan 0.000 0.521 346 E N 1.078 121.247 120.200 -0.052 0.000 2.195 346 E HA 0.528 4.857 4.350 -0.035 0.000 0.271 346 E C -0.983 175.606 176.600 -0.019 0.000 0.923 346 E CA -0.948 55.345 56.400 -0.178 0.000 0.790 346 E CB 2.601 32.382 29.700 0.136 0.000 1.155 346 E HN 0.703 nan 8.360 nan 0.000 0.402 347 E N 1.990 122.150 120.200 -0.068 0.000 2.317 347 E HA 0.270 4.599 4.350 -0.035 0.000 0.270 347 E C -1.287 175.417 176.600 0.174 0.000 0.885 347 E CA -1.095 55.350 56.400 0.074 0.000 0.760 347 E CB 1.567 31.301 29.700 0.056 0.000 1.227 347 E HN 0.530 nan 8.360 nan 0.000 0.434 348 D N 1.448 121.968 120.400 0.200 0.000 2.472 348 D HA -0.103 4.517 4.640 -0.035 0.000 0.237 348 D C -0.932 175.574 176.300 0.344 0.000 1.141 348 D CA 0.276 54.409 54.000 0.221 0.000 0.875 348 D CB 0.509 41.392 40.800 0.138 0.000 1.192 348 D HN 0.537 nan 8.370 nan 0.000 0.450 349 W N 5.794 127.132 121.300 0.065 0.000 1.433 349 W HA 0.359 4.998 4.660 -0.035 0.000 0.307 349 W C 0.395 176.943 176.519 0.047 0.000 0.846 349 W CA 0.046 57.428 57.345 0.062 0.000 2.535 349 W CB 0.080 29.628 29.460 0.146 0.000 1.570 349 W HN 0.845 nan 8.180 nan 0.000 0.544 350 G N 1.988 110.732 108.800 -0.093 0.000 2.564 350 G HA2 -0.339 3.600 3.960 -0.035 0.000 0.273 350 G HA3 -0.339 3.600 3.960 -0.035 0.000 0.273 350 G C -0.326 174.549 174.900 -0.042 0.000 1.242 350 G CA 0.047 45.066 45.100 -0.136 0.000 0.951 350 G HN 0.069 nan 8.290 nan 0.000 0.564 351 I N 1.522 122.053 120.570 -0.064 0.000 2.496 351 I HA 0.218 4.367 4.170 -0.035 0.000 0.285 351 I C 1.565 177.695 176.117 0.022 0.000 1.080 351 I CA -0.102 61.185 61.300 -0.021 0.000 1.404 351 I CB 0.804 38.784 38.000 -0.034 0.000 1.403 351 I HN 0.630 nan 8.210 nan 0.000 0.539 352 L N 6.689 127.942 121.223 0.051 0.000 2.200 352 L HA 0.472 4.791 4.340 -0.035 0.000 0.200 352 L C 0.641 177.555 176.870 0.074 0.000 1.072 352 L CA 1.090 55.981 54.840 0.086 0.000 0.787 352 L CB 0.068 42.186 42.059 0.099 0.000 0.957 352 L HN 0.700 nan 8.230 nan 0.000 0.459 353 A N -0.573 122.294 122.820 0.078 0.000 2.589 353 A HA 0.667 4.966 4.320 -0.035 0.000 0.296 353 A C -1.126 176.547 177.584 0.148 0.000 1.062 353 A CA -0.609 51.505 52.037 0.128 0.000 0.686 353 A CB 1.123 20.251 19.000 0.213 0.000 1.282 353 A HN 0.062 nan 8.150 nan 0.000 0.404 354 K N 0.716 121.223 120.400 0.178 0.000 2.569 354 K HA 0.568 4.867 4.320 -0.035 0.000 0.259 354 K C -2.223 174.520 176.600 0.238 0.000 0.932 354 K CA -0.511 55.889 56.287 0.189 0.000 0.833 354 K CB 1.806 34.352 32.500 0.078 0.000 1.340 354 K HN 1.112 nan 8.250 nan 0.000 0.429 355 H N 0.210 119.353 119.070 0.122 0.000 3.137 355 H HA 0.356 4.891 4.556 -0.035 0.000 0.336 355 H C -1.946 173.405 175.328 0.039 0.000 1.055 355 H CA -0.319 55.755 56.048 0.045 0.000 1.349 355 H CB 1.836 31.600 29.762 0.004 0.000 1.939 355 H HN 0.405 nan 8.280 nan 0.000 0.487 356 S N 4.136 119.526 115.700 -0.517 0.000 2.520 356 S HA 0.170 4.619 4.470 -0.035 0.000 0.324 356 S C -0.791 173.382 174.600 -0.712 0.000 1.069 356 S CA -0.651 57.305 58.200 -0.407 0.000 1.121 356 S CB 0.486 63.553 63.200 -0.221 0.000 0.971 356 S HN 0.647 nan 8.310 nan 0.000 0.463 357 D N 2.108 122.180 120.400 -0.548 0.000 2.249 357 D HA 0.301 4.921 4.640 -0.035 0.000 0.246 357 D C 0.919 177.102 176.300 -0.195 0.000 1.114 357 D CA -0.568 53.209 54.000 -0.371 0.000 0.854 357 D CB 0.918 41.701 40.800 -0.028 0.000 1.132 357 D HN 0.254 nan 8.370 nan 0.000 0.461 358 L N 5.435 126.506 121.223 -0.252 0.000 1.988 358 L HA -0.007 4.312 4.340 -0.035 0.000 0.207 358 L C 1.483 178.365 176.870 0.020 0.000 1.071 358 L CA 1.515 56.257 54.840 -0.163 0.000 0.744 358 L CB -0.485 41.413 42.059 -0.267 0.000 0.893 358 L HN 0.597 nan 8.230 nan 0.000 0.433 359 W N 0.023 121.327 121.300 0.007 0.000 2.335 359 W HA -0.167 4.472 4.660 -0.035 0.000 0.311 359 W C 2.986 179.509 176.519 0.007 0.000 1.213 359 W CA 1.661 59.012 57.345 0.009 0.000 1.274 359 W CB -1.933 27.537 29.460 0.017 0.000 1.148 359 W HN 0.536 nan 8.180 nan 0.000 0.498 360 S N -0.987 114.849 115.700 0.227 0.000 2.478 360 S HA 0.277 4.726 4.470 -0.035 0.000 0.222 360 S C 1.790 176.439 174.600 0.081 0.000 1.008 360 S CA 0.907 59.188 58.200 0.135 0.000 0.928 360 S CB -0.195 63.075 63.200 0.116 0.000 0.781 360 S HN 0.487 nan 8.310 nan 0.000 0.518 361 G N 1.045 109.878 108.800 0.055 0.000 2.162 361 G HA2 -0.243 3.696 3.960 -0.035 0.000 0.260 361 G HA3 -0.243 3.696 3.960 -0.035 0.000 0.260 361 G C -0.015 174.894 174.900 0.016 0.000 0.976 361 G CA 0.352 45.467 45.100 0.026 0.000 0.655 361 G HN 0.599 nan 8.290 nan 0.000 0.533 362 I N 1.297 121.880 120.570 0.022 0.000 2.342 362 I HA 0.289 4.438 4.170 -0.035 0.000 0.291 362 I C -0.486 175.644 176.117 0.022 0.000 1.010 362 I CA -0.804 60.518 61.300 0.037 0.000 1.308 362 I CB 1.062 39.098 38.000 0.059 0.000 1.400 362 I HN -0.042 nan 8.210 nan 0.000 0.488 363 N N 6.612 125.335 118.700 0.038 0.000 2.446 363 N HA 0.274 4.993 4.740 -0.035 0.000 0.265 363 N C -1.323 174.261 175.510 0.124 0.000 0.975 363 N CA -0.431 52.639 53.050 0.032 0.000 0.928 363 N CB 1.595 40.077 38.487 -0.007 0.000 1.160 363 N HN 0.441 nan 8.380 nan 0.000 0.495 364 Y N 1.244 121.539 120.300 -0.008 0.000 2.376 364 Y HA 0.509 5.038 4.550 -0.035 0.000 0.340 364 Y C -0.890 175.019 175.900 0.015 0.000 0.965 364 Y CA -0.307 57.801 58.100 0.014 0.000 1.078 364 Y CB 1.523 40.007 38.460 0.039 0.000 1.193 364 Y HN 0.309 nan 8.280 nan 0.000 0.452 365 T N 6.880 121.250 114.554 -0.306 0.000 2.952 365 T HA 0.593 4.922 4.350 -0.035 0.000 0.305 365 T C -1.281 173.177 174.700 -0.403 0.000 1.064 365 T CA -1.013 60.939 62.100 -0.246 0.000 1.008 365 T CB 1.214 70.015 68.868 -0.110 0.000 1.078 365 T HN 0.417 nan 8.240 nan 0.000 0.459 366 R N 1.772 122.107 120.500 -0.275 0.000 2.673 366 R HA 0.529 4.848 4.340 -0.035 0.000 0.281 366 R C -0.533 175.731 176.300 -0.060 0.000 0.991 366 R CA -0.855 55.127 56.100 -0.197 0.000 0.896 366 R CB 2.193 32.382 30.300 -0.184 0.000 1.201 366 R HN 0.552 nan 8.270 nan 0.000 0.457 367 R N 1.110 121.595 120.500 -0.024 0.000 2.486 367 R HA 0.345 4.664 4.340 -0.035 0.000 0.286 367 R C 0.133 176.490 176.300 0.094 0.000 0.999 367 R CA -0.523 55.596 56.100 0.031 0.000 0.993 367 R CB 1.470 31.789 30.300 0.032 0.000 1.084 367 R HN 0.571 nan 8.270 nan 0.000 0.487 368 N N 0.847 119.640 118.700 0.156 0.000 2.476 368 N HA 0.391 5.110 4.740 -0.035 0.000 0.276 368 N C -0.964 174.750 175.510 0.341 0.000 1.204 368 N CA -0.691 52.520 53.050 0.267 0.000 0.974 368 N CB 1.086 39.782 38.487 0.347 0.000 1.204 368 N HN 0.509 nan 8.380 nan 0.000 0.543 369 R N -0.382 120.374 120.500 0.427 0.000 2.663 369 R HA 0.437 4.756 4.340 -0.035 0.000 0.267 369 R C -1.726 174.813 176.300 0.398 0.000 1.038 369 R CA -1.076 55.278 56.100 0.423 0.000 0.886 369 R CB 1.107 31.651 30.300 0.406 0.000 1.249 369 R HN 0.572 nan 8.270 nan 0.000 0.463 370 R N 1.148 121.669 120.500 0.034 0.000 2.599 370 R HA 0.538 4.857 4.340 -0.035 0.000 0.295 370 R C -0.825 175.032 176.300 -0.738 0.000 0.963 370 R CA -1.086 54.728 56.100 -0.477 0.000 0.883 370 R CB 1.542 31.197 30.300 -1.075 0.000 1.171 370 R HN 0.558 nan 8.270 nan 0.000 0.450 371 M N 3.097 121.914 119.600 -1.304 0.000 2.162 371 M HA 0.247 4.706 4.480 -0.035 0.000 0.356 371 M C -1.356 174.450 176.300 -0.824 0.000 1.303 371 M CA -0.495 53.975 55.300 -1.383 0.000 1.116 371 M CB 1.341 32.845 32.600 -1.828 0.000 1.632 371 M HN 0.561 nan 8.290 nan 0.000 0.469 372 V N 6.933 126.416 119.914 -0.719 0.000 2.459 372 V HA 0.577 4.676 4.120 -0.035 0.000 0.295 372 V C -0.424 175.463 176.094 -0.344 0.000 1.029 372 V CA -0.746 61.287 62.300 -0.445 0.000 0.874 372 V CB 1.507 33.040 31.823 -0.483 0.000 0.985 372 V HN 0.626 nan 8.190 nan 0.000 0.438 373 I N 4.569 125.011 120.570 -0.213 0.000 2.439 373 I HA 0.653 4.803 4.170 -0.035 0.000 0.285 373 I C 0.059 176.174 176.117 -0.004 0.000 1.021 373 I CA -0.013 61.224 61.300 -0.105 0.000 1.091 373 I CB 1.559 39.504 38.000 -0.091 0.000 1.242 373 I HN 0.855 nan 8.210 nan 0.000 0.439 374 S N 6.027 121.731 115.700 0.007 0.000 2.638 374 S HA 0.924 5.373 4.470 -0.035 0.000 0.274 374 S C -0.970 173.707 174.600 0.128 0.000 1.157 374 S CA -0.697 57.450 58.200 -0.087 0.000 0.826 374 S CB 3.017 65.872 63.200 -0.575 0.000 1.139 374 S HN 0.492 nan 8.310 nan 0.000 0.474 375 F N -1.150 118.723 119.950 -0.129 0.000 2.693 375 F HA 0.870 5.376 4.527 -0.035 0.000 0.309 375 F C -2.281 173.535 175.800 0.027 0.000 1.129 375 F CA -1.530 56.486 58.000 0.026 0.000 0.948 375 F CB 0.765 39.836 39.000 0.117 0.000 1.315 375 F HN 0.622 nan 8.300 nan 0.000 0.447 376 F N 0.925 120.864 119.950 -0.018 0.000 2.546 376 F HA 0.748 5.254 4.527 -0.035 0.000 0.320 376 F C -0.085 175.778 175.800 0.105 0.000 1.076 376 F CA -0.408 57.557 58.000 -0.059 0.000 0.928 376 F CB 2.383 41.406 39.000 0.037 0.000 1.189 376 F HN 0.856 nan 8.300 nan 0.000 0.465 377 T N 1.543 116.268 114.554 0.285 0.000 2.903 377 T HA 0.591 4.920 4.350 -0.035 0.000 0.299 377 T C -1.316 173.587 174.700 0.338 0.000 1.093 377 T CA -0.382 61.932 62.100 0.357 0.000 1.002 377 T CB 1.369 70.436 68.868 0.331 0.000 1.127 377 T HN 0.552 nan 8.240 nan 0.000 0.488 378 T N 4.529 119.253 114.554 0.283 0.000 2.809 378 T HA 0.531 4.860 4.350 -0.035 0.000 0.284 378 T C -0.418 174.293 174.700 0.018 0.000 0.992 378 T CA -0.589 61.590 62.100 0.132 0.000 0.957 378 T CB 0.542 69.476 68.868 0.110 0.000 0.942 378 T HN 0.446 nan 8.240 nan 0.000 0.439 379 I N 3.966 124.494 120.570 -0.070 0.000 2.620 379 I HA 0.360 4.509 4.170 -0.035 0.000 0.280 379 I C 1.308 177.299 176.117 -0.209 0.000 1.143 379 I CA 0.150 61.330 61.300 -0.201 0.000 1.163 379 I CB -0.504 37.424 38.000 -0.120 0.000 1.461 379 I HN 0.996 nan 8.210 nan 0.000 0.530 380 G N 5.824 114.528 108.800 -0.160 0.000 2.609 380 G HA2 -0.300 3.639 3.960 -0.035 0.000 0.288 380 G HA3 -0.300 3.639 3.960 -0.035 0.000 0.288 380 G C 0.417 175.262 174.900 -0.092 0.000 1.211 380 G CA 0.341 45.431 45.100 -0.016 0.000 0.963 380 G HN 0.590 nan 8.290 nan 0.000 0.541 384 Y N 0.298 120.661 120.300 0.105 0.000 2.391 384 Y HA 0.699 5.228 4.550 -0.034 0.000 0.341 384 Y C 0.742 176.122 175.900 -0.868 0.000 0.965 384 Y CA -1.096 56.895 58.100 -0.180 0.000 1.067 384 Y CB 2.483 41.040 38.460 0.161 0.000 1.199 384 Y HN 0.465 nan 8.280 nan 0.000 0.450 385 G N 2.263 110.421 108.800 -1.069 0.000 2.356 385 G HA2 0.588 4.527 3.960 -0.035 0.000 0.322 385 G HA3 0.588 4.527 3.960 -0.035 0.000 0.322 385 G C -1.695 172.994 174.900 -0.351 0.000 1.125 385 G CA -0.373 44.007 45.100 -1.200 0.000 0.885 385 G HN 0.310 nan 8.290 nan 0.000 0.467 386 F N 1.360 120.824 119.950 -0.810 0.000 2.427 386 F HA 0.471 4.977 4.527 -0.036 0.000 0.348 386 F C -0.846 174.614 175.800 -0.565 0.000 1.125 386 F CA -1.256 56.472 58.000 -0.452 0.000 0.989 386 F CB 1.778 40.596 39.000 -0.304 0.000 1.165 386 F HN 0.300 nan 8.300 nan 0.000 0.442 387 Y N 1.480 121.381 120.300 -0.664 0.000 2.350 387 Y HA 0.426 4.955 4.550 -0.035 0.000 0.338 387 Y C -0.986 174.252 175.900 -1.103 0.000 0.961 387 Y CA -1.537 56.112 58.100 -0.752 0.000 1.100 387 Y CB 1.363 39.310 38.460 -0.856 0.000 1.179 387 Y HN 0.516 nan 8.280 nan 0.000 0.454 388 W N 3.450 124.432 121.300 -0.530 0.000 2.529 388 W HA 0.593 5.233 4.660 -0.035 0.000 0.321 388 W C -1.353 174.737 176.519 -0.716 0.000 1.047 388 W CA -0.691 56.368 57.345 -0.477 0.000 1.216 388 W CB 1.142 30.493 29.460 -0.182 0.000 1.357 388 W HN 0.347 nan 8.180 nan 0.000 0.489 389 Y N 3.083 123.296 120.300 -0.145 0.000 2.409 389 Y HA 0.641 5.170 4.550 -0.035 0.000 0.343 389 Y C -0.225 175.355 175.900 -0.534 0.000 0.973 389 Y CA -1.584 56.226 58.100 -0.484 0.000 1.064 389 Y CB 1.167 39.223 38.460 -0.674 0.000 1.207 389 Y HN 0.059 nan 8.280 nan 0.000 0.452 390 L N 4.156 125.022 121.223 -0.594 0.000 2.349 390 L HA 0.497 4.816 4.340 -0.035 0.000 0.278 390 L C -1.225 175.471 176.870 -0.289 0.000 0.996 390 L CA -0.817 53.621 54.840 -0.669 0.000 0.825 390 L CB 1.169 42.519 42.059 -1.181 0.000 1.243 390 L HN 0.600 nan 8.230 nan 0.000 0.412 391 Y N 1.986 122.467 120.300 0.303 0.000 2.453 391 Y HA 0.300 4.829 4.550 -0.035 0.000 0.326 391 Y C 1.218 177.603 175.900 0.810 0.000 1.186 391 Y CA -0.665 57.727 58.100 0.487 0.000 1.200 391 Y CB 1.397 40.023 38.460 0.278 0.000 1.247 391 Y HN 0.445 nan 8.280 nan 0.000 0.482 392 L N 0.692 122.358 121.223 0.739 0.000 2.042 392 L HA -0.225 4.094 4.340 -0.035 0.000 0.210 392 L C 1.720 178.816 176.870 0.376 0.000 1.076 392 L CA 1.768 56.879 54.840 0.451 0.000 0.749 392 L CB -0.338 41.871 42.059 0.250 0.000 0.893 392 L HN 0.763 nan 8.230 nan 0.000 0.432 393 D N -0.346 120.247 120.400 0.323 0.000 2.352 393 D HA -0.023 4.596 4.640 -0.035 0.000 0.232 393 D C 1.374 177.732 176.300 0.097 0.000 1.055 393 D CA 0.874 54.947 54.000 0.121 0.000 0.891 393 D CB 0.145 40.998 40.800 0.089 0.000 0.897 393 D HN 0.378 nan 8.370 nan 0.000 0.529 394 G N -0.346 108.673 108.800 0.363 0.000 2.157 394 G HA2 -0.240 3.699 3.960 -0.035 0.000 0.239 394 G HA3 -0.240 3.699 3.960 -0.035 0.000 0.239 394 G C 0.309 175.684 174.900 0.791 0.000 0.982 394 G CA 0.216 45.567 45.100 0.419 0.000 0.650 394 G HN 0.445 nan 8.290 nan 0.000 0.527 395 T N 1.139 116.105 114.554 0.687 0.000 2.869 395 T HA 0.587 4.916 4.350 -0.035 0.000 0.295 395 T C 0.572 175.656 174.700 0.640 0.000 0.987 395 T CA 0.276 62.719 62.100 0.572 0.000 1.109 395 T CB 1.371 70.391 68.868 0.253 0.000 0.932 395 T HN 0.331 nan 8.240 nan 0.000 0.518 396 I N 2.716 123.571 120.570 0.476 0.000 2.406 396 I HA 0.464 4.613 4.170 -0.035 0.000 0.290 396 I C 0.180 176.449 176.117 0.253 0.000 0.999 396 I CA -0.574 60.887 61.300 0.268 0.000 1.124 396 I CB 1.647 39.768 38.000 0.202 0.000 1.289 396 I HN 0.580 nan 8.210 nan 0.000 0.441 397 E N 5.849 126.164 120.200 0.191 0.000 2.314 397 E HA 0.446 4.775 4.350 -0.035 0.000 0.272 397 E C -1.983 174.474 176.600 -0.238 0.000 0.884 397 E CA -0.674 55.738 56.400 0.019 0.000 0.753 397 E CB 2.615 32.463 29.700 0.246 0.000 1.213 397 E HN 0.425 nan 8.360 nan 0.000 0.432 398 F N 2.765 122.152 119.950 -0.939 0.000 2.495 398 F HA 0.464 4.970 4.527 -0.035 0.000 0.327 398 F C -0.991 174.266 175.800 -0.906 0.000 1.103 398 F CA -0.588 56.672 58.000 -1.233 0.000 0.949 398 F CB 1.630 39.537 39.000 -1.821 0.000 1.142 398 F HN 0.478 nan 8.300 nan 0.000 0.457 399 E N 4.552 123.596 120.200 -1.928 0.000 2.260 399 E HA 0.656 4.985 4.350 -0.035 0.000 0.266 399 E C -1.840 173.905 176.600 -1.425 0.000 0.887 399 E CA -0.916 54.730 56.400 -1.257 0.000 0.777 399 E CB 1.550 30.962 29.700 -0.479 0.000 1.205 399 E HN 0.833 nan 8.360 nan 0.000 0.414 400 A N 4.873 127.035 122.820 -1.096 0.000 2.276 400 A HA 0.481 4.780 4.320 -0.035 0.000 0.316 400 A C -0.659 176.657 177.584 -0.445 0.000 1.229 400 A CA -0.648 50.875 52.037 -0.857 0.000 0.851 400 A CB 0.636 18.899 19.000 -1.228 0.000 1.165 400 A HN 0.555 nan 8.150 nan 0.000 0.513 401 K N 1.787 122.034 120.400 -0.255 0.000 2.307 401 K HA 0.584 4.883 4.320 -0.035 0.000 0.263 401 K C -0.559 176.054 176.600 0.022 0.000 0.973 401 K CA -0.285 55.947 56.287 -0.092 0.000 0.846 401 K CB 2.126 34.617 32.500 -0.016 0.000 1.100 401 K HN 0.708 nan 8.250 nan 0.000 0.438 402 A N 2.861 125.721 122.820 0.066 0.000 2.271 402 A HA 0.615 4.914 4.320 -0.035 0.000 0.317 402 A C -0.200 177.394 177.584 0.017 0.000 1.245 402 A CA -0.323 51.765 52.037 0.085 0.000 0.857 402 A CB 0.587 19.620 19.000 0.056 0.000 1.175 402 A HN 0.725 nan 8.150 nan 0.000 0.512 403 T N -0.038 114.499 114.554 -0.029 0.000 2.591 403 T HA 0.947 5.277 4.350 -0.035 0.000 0.274 403 T C 0.580 175.184 174.700 -0.160 0.000 0.945 403 T CA -0.111 61.958 62.100 -0.052 0.000 1.087 403 T CB 0.978 69.848 68.868 0.004 0.000 1.416 403 T HN 2.395 nan 8.240 nan 0.000 0.514 404 G N -0.479 108.213 108.800 -0.180 0.000 2.416 404 G HA2 0.144 4.083 3.960 -0.035 0.000 0.203 404 G HA3 0.144 4.083 3.960 -0.035 0.000 0.203 404 G C -1.486 173.260 174.900 -0.257 0.000 1.227 404 G CA -0.379 44.577 45.100 -0.239 0.000 1.041 404 G HN 1.168 nan 8.290 nan 0.000 0.546 405 V N 1.285 121.014 119.914 -0.308 0.000 2.448 405 V HA 0.616 4.715 4.120 -0.035 0.000 0.295 405 V C 1.075 177.044 176.094 -0.209 0.000 1.025 405 V CA -0.101 62.033 62.300 -0.277 0.000 0.859 405 V CB 1.126 32.725 31.823 -0.373 0.000 0.988 405 V HN 1.758 nan 8.190 nan 0.000 0.431 406 V N 2.660 122.606 119.914 0.053 0.000 2.843 406 V HA 0.365 4.464 4.120 -0.035 0.000 0.305 406 V C -0.141 176.045 176.094 0.152 0.000 1.065 406 V CA -0.172 62.219 62.300 0.152 0.000 1.116 406 V CB 0.394 32.392 31.823 0.291 0.000 0.968 406 V HN 0.611 nan 8.190 nan 0.000 0.487 407 F N 5.124 125.079 119.950 0.009 0.000 2.506 407 F HA 0.475 4.985 4.527 -0.029 0.000 0.371 407 F C 1.077 177.016 175.800 0.231 0.000 1.078 407 F CA 0.460 58.499 58.000 0.065 0.000 1.195 407 F CB 0.619 39.617 39.000 -0.003 0.000 1.099 407 F HN 1.000 nan 8.300 nan 0.000 0.548 408 T N 1.778 116.334 114.554 0.003 0.000 2.912 408 T HA 0.787 5.116 4.350 -0.035 0.000 0.280 408 T C -0.056 174.669 174.700 0.042 0.000 0.989 408 T CA -0.230 61.919 62.100 0.083 0.000 0.995 408 T CB 1.607 70.524 68.868 0.081 0.000 1.077 408 T HN 0.713 nan 8.240 nan 0.000 0.531 409 S N -0.540 115.164 115.700 0.007 0.000 2.790 409 S HA 0.774 5.223 4.470 -0.035 0.000 0.292 409 S C -0.738 173.817 174.600 -0.076 0.000 1.197 409 S CA -0.774 57.384 58.200 -0.069 0.000 0.851 409 S CB 0.806 63.985 63.200 -0.036 0.000 1.217 409 S HN 1.393 nan 8.310 nan 0.000 0.526 410 A N 0.421 123.161 122.820 -0.134 0.000 2.293 410 A HA 0.728 5.027 4.320 -0.035 0.000 0.302 410 A C -0.877 176.740 177.584 0.055 0.000 1.119 410 A CA -0.488 51.527 52.037 -0.036 0.000 0.823 410 A CB 0.024 18.999 19.000 -0.042 0.000 1.097 410 A HN 0.990 nan 8.150 nan 0.000 0.491 411 F N 2.874 122.818 119.950 -0.010 0.000 2.371 411 F HA 0.503 5.006 4.527 -0.039 0.000 0.363 411 F C -2.081 173.754 175.800 0.059 0.000 1.122 411 F CA -2.560 55.442 58.000 0.003 0.000 1.129 411 F CB 0.661 39.654 39.000 -0.013 0.000 1.173 411 F HN 0.313 nan 8.300 nan 0.000 0.489 412 P HA -0.071 nan 4.420 nan 0.000 0.266 412 P C -0.818 176.268 177.300 -0.357 0.000 1.193 412 P CA 0.024 62.945 63.100 -0.299 0.000 0.770 412 P CB 0.424 31.943 31.700 -0.301 0.000 0.836 413 E N 1.587 121.699 120.200 -0.147 0.000 2.299 413 E HA 0.271 4.600 4.350 -0.035 0.000 0.272 413 E C 0.857 177.392 176.600 -0.108 0.000 1.043 413 E CA 0.452 56.799 56.400 -0.089 0.000 0.895 413 E CB -0.533 29.129 29.700 -0.064 0.000 1.011 413 E HN 0.750 nan 8.360 nan 0.000 0.432 414 G N 2.943 111.703 108.800 -0.067 0.000 2.159 414 G HA2 -0.158 3.781 3.960 -0.035 0.000 0.227 414 G HA3 -0.158 3.781 3.960 -0.035 0.000 0.227 414 G C 0.594 175.453 174.900 -0.068 0.000 0.986 414 G CA -0.115 44.957 45.100 -0.046 0.000 0.651 414 G HN 1.406 nan 8.290 nan 0.000 0.523 415 G N -1.506 107.179 108.800 -0.191 0.000 2.782 415 G HA2 0.402 4.341 3.960 -0.035 0.000 0.228 415 G HA3 0.402 4.341 3.960 -0.035 0.000 0.228 415 G C -0.101 174.602 174.900 -0.328 0.000 1.372 415 G CA 0.950 45.922 45.100 -0.214 0.000 0.862 415 G HN 2.301 nan 8.290 nan 0.000 0.547 416 S N -1.434 114.186 115.700 -0.134 0.000 2.537 416 S HA 0.585 5.034 4.470 -0.035 0.000 0.271 416 S C -0.176 174.424 174.600 -0.000 0.000 1.148 416 S CA 0.480 58.610 58.200 -0.117 0.000 0.868 416 S CB 1.714 64.777 63.200 -0.228 0.000 1.115 416 S HN 0.628 nan 8.310 nan 0.000 0.461 417 D N 2.307 122.700 120.400 -0.012 0.000 2.349 417 D HA 0.176 4.795 4.640 -0.035 0.000 0.215 417 D C 0.393 176.708 176.300 0.025 0.000 1.016 417 D CA 0.582 54.620 54.000 0.063 0.000 0.870 417 D CB -0.037 40.802 40.800 0.065 0.000 0.917 417 D HN 0.605 nan 8.370 nan 0.000 0.524 418 N N -0.639 117.899 118.700 -0.270 0.000 2.143 418 N HA 0.268 4.987 4.740 -0.035 0.000 0.229 418 N C -0.421 174.352 175.510 -1.229 0.000 1.294 418 N CA -0.038 52.650 53.050 -0.603 0.000 0.883 418 N CB 1.653 40.037 38.487 -0.171 0.000 1.148 418 N HN 0.001 nan 8.380 nan 0.000 0.511 419 I N 0.283 120.261 120.570 -0.987 0.000 2.722 419 I HA 0.370 4.519 4.170 -0.035 0.000 0.295 419 I C -0.719 175.401 176.117 0.006 0.000 1.161 419 I CA -0.979 60.025 61.300 -0.494 0.000 1.032 419 I CB 2.234 40.184 38.000 -0.083 0.000 1.244 419 I HN -0.058 nan 8.210 nan 0.000 0.421 420 S N 3.617 119.485 115.700 0.280 0.000 2.578 420 S HA 0.574 5.023 4.470 -0.035 0.000 0.301 420 S C -0.748 173.849 174.600 -0.006 0.000 1.091 420 S CA -0.815 57.569 58.200 0.306 0.000 1.032 420 S CB 2.035 65.501 63.200 0.444 0.000 1.064 420 S HN 0.667 nan 8.310 nan 0.000 0.508 421 Q N 0.709 120.220 119.800 -0.482 0.000 2.235 421 Q HA 0.517 4.836 4.340 -0.035 0.000 0.250 421 Q C -0.357 175.464 176.000 -0.298 0.000 0.909 421 Q CA -0.579 54.818 55.803 -0.676 0.000 0.910 421 Q CB 0.845 28.822 28.738 -1.269 0.000 1.223 421 Q HN 0.875 nan 8.270 nan 0.000 0.432 422 L N 1.824 122.891 121.223 -0.259 0.000 2.717 422 L HA 0.591 4.910 4.340 -0.035 0.000 0.239 422 L C 0.168 176.907 176.870 -0.219 0.000 1.086 422 L CA 0.110 54.831 54.840 -0.198 0.000 0.897 422 L CB 0.834 42.714 42.059 -0.299 0.000 1.214 422 L HN 0.671 nan 8.230 nan 0.000 0.508 423 A N -0.874 121.783 122.820 -0.272 0.000 2.564 423 A HA 0.660 4.959 4.320 -0.035 0.000 0.291 423 A C -2.799 174.708 177.584 -0.128 0.000 1.102 423 A CA -0.998 50.932 52.037 -0.177 0.000 0.660 423 A CB 0.373 19.232 19.000 -0.235 0.000 1.283 423 A HN -0.238 nan 8.150 nan 0.000 0.430 424 P HA 0.306 nan 4.420 nan 0.000 0.261 424 P C 0.992 178.299 177.300 0.012 0.000 1.203 424 P CA 2.196 65.290 63.100 -0.010 0.000 0.767 424 P CB 0.409 32.119 31.700 0.016 0.000 0.785 425 G N 2.481 111.320 108.800 0.064 0.000 2.189 425 G HA2 -0.287 3.652 3.960 -0.035 0.000 0.267 425 G HA3 -0.287 3.652 3.960 -0.035 0.000 0.267 425 G C -0.102 174.849 174.900 0.085 0.000 0.975 425 G CA -0.031 45.138 45.100 0.115 0.000 0.644 425 G HN 0.569 nan 8.290 nan 0.000 0.537 426 L N 2.037 123.246 121.223 -0.022 0.000 2.257 426 L HA 0.761 5.080 4.340 -0.035 0.000 0.290 426 L C 0.826 177.646 176.870 -0.084 0.000 1.044 426 L CA 0.112 54.877 54.840 -0.126 0.000 0.810 426 L CB 0.829 42.672 42.059 -0.361 0.000 1.193 426 L HN 0.334 nan 8.230 nan 0.000 0.425 427 G N 3.524 112.339 108.800 0.025 0.000 2.491 427 G HA2 0.745 4.684 3.960 -0.035 0.000 0.327 427 G HA3 0.745 4.684 3.960 -0.035 0.000 0.327 427 G C -1.410 173.529 174.900 0.066 0.000 1.189 427 G CA -0.250 44.933 45.100 0.137 0.000 0.956 427 G HN 0.996 nan 8.290 nan 0.000 0.491 428 A N 0.982 123.895 122.820 0.155 0.000 2.599 428 A HA 0.709 5.008 4.320 -0.035 0.000 0.281 428 A C -2.889 174.881 177.584 0.309 0.000 1.137 428 A CA -1.179 50.996 52.037 0.231 0.000 0.767 428 A CB 1.618 20.764 19.000 0.242 0.000 1.266 428 A HN 0.400 nan 8.150 nan 0.000 0.420 429 P HA 0.216 nan 4.420 nan 0.000 0.265 429 P C -0.405 177.205 177.300 0.516 0.000 1.193 429 P CA 0.260 63.545 63.100 0.309 0.000 0.765 429 P CB 0.141 32.094 31.700 0.422 0.000 0.823 430 F N 3.657 123.764 119.950 0.262 0.000 2.506 430 F HA 0.246 4.753 4.527 -0.033 0.000 0.351 430 F C 1.612 177.380 175.800 -0.053 0.000 1.136 430 F CA 0.383 58.447 58.000 0.107 0.000 1.298 430 F CB -0.400 38.696 39.000 0.159 0.000 1.145 430 F HN 0.495 nan 8.300 nan 0.000 0.593 431 H N -0.101 118.861 119.070 -0.181 0.000 2.932 431 H HA 0.485 5.021 4.556 -0.035 0.000 0.307 431 H C -1.861 173.157 175.328 -0.517 0.000 1.391 431 H CA -1.125 54.592 56.048 -0.553 0.000 1.130 431 H CB 1.290 30.272 29.762 -1.300 0.000 1.836 431 H HN 0.593 nan 8.280 nan 0.000 0.522 432 Q N 0.294 119.778 119.800 -0.527 0.000 2.433 432 Q HA 0.413 4.732 4.340 -0.035 0.000 0.279 432 Q C -0.992 174.681 176.000 -0.546 0.000 1.105 432 Q CA -0.998 54.506 55.803 -0.497 0.000 0.815 432 Q CB 2.864 31.391 28.738 -0.352 0.000 1.403 432 Q HN 0.545 nan 8.270 nan 0.000 0.435 433 H N 1.332 120.163 119.070 -0.398 0.000 2.887 433 H HA 0.427 4.962 4.556 -0.035 0.000 0.300 433 H C -0.892 174.146 175.328 -0.483 0.000 1.038 433 H CA -0.259 55.521 56.048 -0.446 0.000 1.352 433 H CB 0.796 30.354 29.762 -0.341 0.000 1.473 433 H HN 0.439 nan 8.280 nan 0.000 0.503 434 I N 4.177 124.459 120.570 -0.480 0.000 2.382 434 I HA 0.212 4.361 4.170 -0.035 0.000 0.286 434 I C -0.456 175.359 176.117 -0.503 0.000 1.002 434 I CA -0.594 60.475 61.300 -0.385 0.000 1.135 434 I CB 0.847 38.659 38.000 -0.314 0.000 1.288 434 I HN 0.199 nan 8.210 nan 0.000 0.448 435 F N 3.301 122.933 119.950 -0.531 0.000 2.408 435 F HA 0.518 5.024 4.527 -0.035 0.000 0.325 435 F C 0.766 176.325 175.800 -0.401 0.000 1.082 435 F CA -0.791 56.838 58.000 -0.619 0.000 1.032 435 F CB 1.395 39.662 39.000 -1.222 0.000 1.259 435 F HN 0.272 nan 8.300 nan 0.000 0.503 436 S N 0.756 116.443 115.700 -0.023 0.000 2.779 436 S HA 0.750 5.199 4.470 -0.035 0.000 0.293 436 S C -1.015 173.660 174.600 0.125 0.000 1.150 436 S CA -0.561 57.676 58.200 0.062 0.000 1.057 436 S CB 0.486 63.544 63.200 -0.236 0.000 1.021 436 S HN 0.853 nan 8.310 nan 0.000 0.485 437 A N 4.643 127.599 122.820 0.226 0.000 2.274 437 A HA 0.668 4.967 4.320 -0.035 0.000 0.309 437 A C 0.096 177.720 177.584 0.066 0.000 1.226 437 A CA -0.655 51.485 52.037 0.171 0.000 0.853 437 A CB 0.445 19.519 19.000 0.124 0.000 1.146 437 A HN 0.830 nan 8.150 nan 0.000 0.518 438 R N 3.244 123.733 120.500 -0.018 0.000 2.255 438 R HA 0.569 4.889 4.340 -0.035 0.000 0.326 438 R C -1.629 174.507 176.300 -0.273 0.000 0.986 438 R CA -0.380 55.529 56.100 -0.318 0.000 0.847 438 R CB 0.384 30.403 30.300 -0.469 0.000 1.111 438 R HN 0.704 nan 8.270 nan 0.000 0.452 439 L N 4.426 125.457 121.223 -0.319 0.000 2.324 439 L HA 0.261 4.580 4.340 -0.035 0.000 0.274 439 L C -0.579 176.157 176.870 -0.223 0.000 1.012 439 L CA -0.894 53.828 54.840 -0.197 0.000 0.859 439 L CB 1.572 43.576 42.059 -0.092 0.000 1.224 439 L HN 0.563 nan 8.230 nan 0.000 0.429 440 D N 4.808 125.091 120.400 -0.195 0.000 2.383 440 D HA 0.149 4.768 4.640 -0.035 0.000 0.245 440 D C 0.206 176.473 176.300 -0.056 0.000 1.263 440 D CA -0.228 53.705 54.000 -0.112 0.000 0.936 440 D CB 0.587 41.344 40.800 -0.073 0.000 1.053 440 D HN 0.135 nan 8.370 nan 0.000 0.507 441 M N 2.444 122.025 119.600 -0.031 0.000 2.245 441 M HA 0.292 4.751 4.480 -0.035 0.000 0.344 441 M C 0.496 176.783 176.300 -0.021 0.000 1.170 441 M CA -0.258 55.025 55.300 -0.028 0.000 1.135 441 M CB 0.642 33.241 32.600 -0.002 0.000 1.574 441 M HN 0.483 nan 8.290 nan 0.000 0.452 442 A N 3.891 126.633 122.820 -0.130 0.000 3.106 442 A HA 0.364 4.663 4.320 -0.035 0.000 0.227 442 A C -0.193 177.272 177.584 -0.198 0.000 0.920 442 A CA -0.525 51.333 52.037 -0.300 0.000 1.088 442 A CB 0.106 18.805 19.000 -0.502 0.000 1.233 442 A HN 0.614 nan 8.150 nan 0.000 0.503 443 I N 1.719 122.242 120.570 -0.078 0.000 2.818 443 I HA 0.005 4.154 4.170 -0.035 0.000 0.285 443 I C 0.347 176.511 176.117 0.078 0.000 1.160 443 I CA 0.917 62.247 61.300 0.051 0.000 1.370 443 I CB -1.309 36.762 38.000 0.118 0.000 1.440 443 I HN 0.430 nan 8.210 nan 0.000 0.555 444 D N 4.870 125.341 120.400 0.120 0.000 2.911 444 D HA -0.164 4.455 4.640 -0.035 0.000 0.227 444 D C 0.701 176.956 176.300 -0.076 0.000 1.164 444 D CA 1.682 55.694 54.000 0.019 0.000 0.782 444 D CB -0.774 40.007 40.800 -0.032 0.000 1.094 444 D HN 1.118 nan 8.370 nan 0.000 0.425 445 G N -2.330 106.361 108.800 -0.182 0.000 2.371 445 G HA2 -0.086 3.853 3.960 -0.035 0.000 0.663 445 G HA3 -0.086 3.853 3.960 -0.035 0.000 0.663 445 G C 0.365 175.060 174.900 -0.342 0.000 1.311 445 G CA -0.358 44.559 45.100 -0.306 0.000 0.985 445 G HN 0.021 nan 8.290 nan 0.000 0.566 446 F N 0.871 120.809 119.950 -0.021 0.000 2.325 446 F HA 0.154 4.660 4.527 -0.035 0.000 0.299 446 F C 2.415 178.209 175.800 -0.009 0.000 1.090 446 F CA 1.479 59.459 58.000 -0.033 0.000 1.392 446 F CB -0.171 38.793 39.000 -0.060 0.000 1.053 446 F HN 0.324 nan 8.300 nan 0.000 0.521 447 T N 2.906 117.543 114.554 0.138 0.000 2.840 447 T HA 0.125 4.454 4.350 -0.035 0.000 0.276 447 T C -0.147 174.600 174.700 0.078 0.000 0.912 447 T CA -0.069 62.091 62.100 0.100 0.000 1.116 447 T CB -0.537 68.373 68.868 0.070 0.000 0.895 447 T HN 0.008 nan 8.240 nan 0.000 0.570 448 N N 2.629 121.383 118.700 0.091 0.000 2.469 448 N HA 0.726 5.445 4.740 -0.035 0.000 0.286 448 N C -0.234 175.325 175.510 0.082 0.000 1.275 448 N CA -1.077 52.021 53.050 0.080 0.000 0.790 448 N CB 2.055 40.590 38.487 0.080 0.000 1.446 448 N HN 0.643 nan 8.380 nan 0.000 0.501 449 R N -1.731 118.818 120.500 0.081 0.000 2.734 449 R HA 0.821 5.140 4.340 -0.035 0.000 0.271 449 R C -1.784 174.572 176.300 0.093 0.000 1.021 449 R CA -0.911 55.239 56.100 0.083 0.000 0.893 449 R CB 0.845 31.189 30.300 0.072 0.000 1.244 449 R HN 0.179 nan 8.270 nan 0.000 0.464 450 V N 0.872 120.847 119.914 0.102 0.000 2.638 450 V HA 0.418 4.517 4.120 -0.035 0.000 0.306 450 V C -0.725 175.450 176.094 0.135 0.000 1.052 450 V CA -0.723 61.652 62.300 0.125 0.000 0.885 450 V CB 1.871 33.773 31.823 0.132 0.000 0.999 450 V HN 0.759 nan 8.190 nan 0.000 0.424 451 E N 2.276 122.562 120.200 0.144 0.000 2.212 451 E HA 0.460 4.789 4.350 -0.035 0.000 0.268 451 E C -0.936 175.755 176.600 0.151 0.000 0.902 451 E CA -0.674 55.799 56.400 0.122 0.000 0.779 451 E CB 2.791 32.533 29.700 0.071 0.000 1.172 451 E HN 0.722 nan 8.360 nan 0.000 0.409 452 E N 2.567 122.839 120.200 0.121 0.000 2.115 452 E HA 0.065 4.394 4.350 -0.035 0.000 0.282 452 E C -1.025 175.509 176.600 -0.110 0.000 0.987 452 E CA -0.265 56.136 56.400 0.003 0.000 0.797 452 E CB 0.856 30.615 29.700 0.098 0.000 1.086 452 E HN 0.385 nan 8.360 nan 0.000 0.397 453 E N 4.438 124.509 120.200 -0.215 0.000 2.109 453 E HA 0.141 4.470 4.350 -0.035 0.000 0.278 453 E C -1.141 175.342 176.600 -0.195 0.000 0.954 453 E CA -0.721 55.586 56.400 -0.156 0.000 0.779 453 E CB 0.821 30.448 29.700 -0.121 0.000 1.093 453 E HN 0.428 nan 8.360 nan 0.000 0.401 454 D N 2.530 122.857 120.400 -0.122 0.000 2.252 454 D HA 0.254 4.873 4.640 -0.035 0.000 0.245 454 D C -0.598 175.671 176.300 -0.053 0.000 1.009 454 D CA -0.559 53.377 54.000 -0.106 0.000 0.870 454 D CB 2.131 42.884 40.800 -0.077 0.000 1.251 454 D HN 0.159 nan 8.370 nan 0.000 0.460 455 V N 1.650 121.534 119.914 -0.049 0.000 2.614 455 V HA 0.186 4.285 4.120 -0.035 0.000 0.291 455 V C 0.113 176.210 176.094 0.004 0.000 1.049 455 V CA -0.286 62.007 62.300 -0.012 0.000 1.038 455 V CB 1.510 33.297 31.823 -0.059 0.000 0.980 455 V HN 0.244 nan 8.190 nan 0.000 0.481 456 V N 6.829 126.775 119.914 0.054 0.000 2.357 456 V HA 0.441 4.540 4.120 -0.035 0.000 0.284 456 V C 0.298 176.444 176.094 0.086 0.000 1.018 456 V CA -0.753 61.578 62.300 0.051 0.000 0.841 456 V CB 1.490 33.340 31.823 0.046 0.000 0.991 456 V HN 0.800 nan 8.190 nan 0.000 0.437 457 R N 3.694 124.225 120.500 0.051 0.000 2.459 457 R HA 0.562 4.881 4.340 -0.035 0.000 0.281 457 R C -0.513 175.822 176.300 0.059 0.000 1.050 457 R CA -0.453 55.685 56.100 0.063 0.000 1.055 457 R CB 1.144 31.458 30.300 0.022 0.000 1.045 457 R HN 0.685 nan 8.270 nan 0.000 0.495 458 Q N 0.479 120.321 119.800 0.070 0.000 2.387 458 Q HA 0.312 4.632 4.340 -0.035 0.000 0.273 458 Q C -0.723 175.299 176.000 0.036 0.000 1.089 458 Q CA -0.922 54.909 55.803 0.047 0.000 0.824 458 Q CB 2.454 31.218 28.738 0.045 0.000 1.367 458 Q HN 0.566 nan 8.270 nan 0.000 0.443 459 T N -0.843 113.725 114.554 0.024 0.000 2.889 459 T HA 0.387 4.716 4.350 -0.035 0.000 0.291 459 T C 0.140 174.850 174.700 0.017 0.000 0.995 459 T CA -0.765 61.346 62.100 0.019 0.000 1.092 459 T CB 0.744 69.620 68.868 0.013 0.000 0.954 459 T HN 0.549 nan 8.240 nan 0.000 0.506 460 M N 2.826 122.436 119.600 0.015 0.000 2.246 460 M HA 0.445 4.904 4.480 -0.035 0.000 0.350 460 M C 0.442 176.747 176.300 0.009 0.000 1.406 460 M CA 0.870 56.178 55.300 0.013 0.000 1.089 460 M CB -0.696 31.911 32.600 0.012 0.000 1.782 460 M HN 1.106 nan 8.290 nan 0.000 0.457 461 G N 4.851 113.655 108.800 0.007 0.000 2.360 461 G HA2 0.233 4.172 3.960 -0.035 0.000 0.276 461 G HA3 0.233 4.172 3.960 -0.035 0.000 0.276 461 G C -3.390 171.511 174.900 0.002 0.000 1.256 461 G CA -1.054 44.048 45.100 0.004 0.000 0.890 461 G HN 0.396 nan 8.290 nan 0.000 0.486 462 P HA 0.299 nan 4.420 nan 0.000 0.261 462 P C 0.986 178.285 177.300 -0.002 0.000 1.183 462 P CA 2.367 65.467 63.100 -0.000 0.000 0.761 462 P CB 0.669 32.369 31.700 -0.000 0.000 0.785 463 G N 3.026 111.823 108.800 -0.004 0.000 2.225 463 G HA2 -0.273 3.666 3.960 -0.035 0.000 0.254 463 G HA3 -0.273 3.666 3.960 -0.035 0.000 0.254 463 G C 0.542 175.438 174.900 -0.008 0.000 0.988 463 G CA 0.299 45.395 45.100 -0.007 0.000 0.625 463 G HN 0.639 nan 8.290 nan 0.000 0.527 464 N N 0.377 119.075 118.700 -0.004 0.000 2.636 464 N HA 0.247 4.966 4.740 -0.035 0.000 0.287 464 N C 1.417 176.928 175.510 0.002 0.000 1.817 464 N CA 0.511 53.560 53.050 -0.002 0.000 0.842 464 N CB 0.416 38.904 38.487 0.003 0.000 1.353 464 N HN 0.206 nan 8.380 nan 0.000 0.500 465 E N 0.358 120.558 120.200 0.000 0.000 2.130 465 E HA -0.174 4.155 4.350 -0.035 0.000 0.196 465 E C 0.832 177.434 176.600 0.004 0.000 0.998 465 E CA 1.156 57.557 56.400 0.002 0.000 0.806 465 E CB -0.009 29.691 29.700 -0.000 0.000 0.738 465 E HN 0.506 nan 8.360 nan 0.000 0.459 466 R N -0.040 120.462 120.500 0.004 0.000 2.310 466 R HA 0.128 4.447 4.340 -0.035 0.000 0.202 466 R C 0.882 177.190 176.300 0.013 0.000 0.933 466 R CA 0.461 56.565 56.100 0.008 0.000 1.054 466 R CB 0.124 30.428 30.300 0.006 0.000 0.985 466 R HN 0.243 nan 8.270 nan 0.000 0.489 467 G N 2.417 111.226 108.800 0.015 0.000 2.356 467 G HA2 -0.345 3.594 3.960 -0.035 0.000 0.296 467 G HA3 -0.345 3.594 3.960 -0.035 0.000 0.296 467 G C 0.199 175.121 174.900 0.037 0.000 1.022 467 G CA 0.986 46.100 45.100 0.024 0.000 0.961 467 G HN 0.709 nan 8.290 nan 0.000 0.510 468 N N -1.229 117.492 118.700 0.036 0.000 2.227 468 N HA 0.515 5.234 4.740 -0.035 0.000 0.196 468 N C 1.147 176.700 175.510 0.071 0.000 1.142 468 N CA 0.515 53.599 53.050 0.056 0.000 0.887 468 N CB 0.497 39.004 38.487 0.034 0.000 1.022 468 N HN 0.779 nan 8.380 nan 0.000 0.500 469 A N 0.805 123.645 122.820 0.034 0.000 2.425 469 A HA 0.472 4.771 4.320 -0.035 0.000 0.249 469 A C -0.649 176.995 177.584 0.100 0.000 1.084 469 A CA -0.302 51.731 52.037 -0.007 0.000 0.781 469 A CB -0.264 18.719 19.000 -0.029 0.000 1.019 469 A HN 0.484 nan 8.150 nan 0.000 0.490 470 F N 0.603 120.548 119.950 -0.009 0.000 2.619 470 F HA 0.803 5.309 4.527 -0.035 0.000 0.308 470 F C -0.238 175.555 175.800 -0.012 0.000 1.097 470 F CA -0.582 57.411 58.000 -0.011 0.000 0.953 470 F CB 1.037 40.030 39.000 -0.012 0.000 1.287 470 F HN 0.557 nan 8.300 nan 0.000 0.446 471 S N 1.638 117.466 115.700 0.215 0.000 2.998 471 S HA 0.852 5.301 4.470 -0.035 0.000 0.307 471 S C -1.293 173.400 174.600 0.154 0.000 1.063 471 S CA -0.778 57.482 58.200 0.099 0.000 0.895 471 S CB 1.382 64.600 63.200 0.030 0.000 1.362 471 S HN 1.114 nan 8.310 nan 0.000 0.657 472 R N 0.596 121.139 120.500 0.073 0.000 2.710 472 R HA 0.596 4.915 4.340 -0.035 0.000 0.270 472 R C -2.005 174.307 176.300 0.020 0.000 1.021 472 R CA -0.912 55.218 56.100 0.050 0.000 0.889 472 R CB 1.279 31.607 30.300 0.047 0.000 1.243 472 R HN 0.699 nan 8.270 nan 0.000 0.464 473 K N 1.863 122.265 120.400 0.003 0.000 2.422 473 K HA 0.569 4.868 4.320 -0.035 0.000 0.251 473 K C -1.209 175.383 176.600 -0.012 0.000 0.933 473 K CA -1.090 55.197 56.287 -0.002 0.000 0.798 473 K CB 2.713 35.212 32.500 -0.000 0.000 1.238 473 K HN 0.643 nan 8.250 nan 0.000 0.428 474 R N 1.415 121.913 120.500 -0.003 0.000 2.513 474 R HA 0.342 4.661 4.340 -0.035 0.000 0.301 474 R C -1.152 175.157 176.300 0.014 0.000 0.968 474 R CA -0.866 55.234 56.100 -0.000 0.000 0.872 474 R CB 2.481 32.785 30.300 0.006 0.000 1.177 474 R HN 0.641 nan 8.270 nan 0.000 0.444 475 T N 2.329 116.896 114.554 0.023 0.000 2.772 475 T HA 0.138 4.467 4.350 -0.035 0.000 0.288 475 T C -0.380 174.356 174.700 0.060 0.000 0.994 475 T CA -0.490 61.632 62.100 0.038 0.000 0.951 475 T CB 1.553 70.444 68.868 0.038 0.000 0.933 475 T HN 0.251 nan 8.240 nan 0.000 0.447 476 V N 6.249 126.196 119.914 0.056 0.000 2.637 476 V HA 0.383 4.482 4.120 -0.035 0.000 0.296 476 V C -0.254 175.883 176.094 0.072 0.000 1.046 476 V CA -0.456 61.884 62.300 0.067 0.000 1.066 476 V CB 0.165 32.022 31.823 0.056 0.000 0.968 476 V HN 0.734 nan 8.190 nan 0.000 0.483 477 L N 7.356 128.632 121.223 0.088 0.000 2.261 477 L HA 0.335 4.654 4.340 -0.035 0.000 0.289 477 L C 1.472 178.387 176.870 0.075 0.000 1.059 477 L CA 0.060 54.950 54.840 0.084 0.000 0.816 477 L CB 1.008 43.126 42.059 0.099 0.000 1.191 477 L HN 0.925 nan 8.230 nan 0.000 0.431 478 T N -0.481 114.111 114.554 0.063 0.000 2.939 478 T HA 0.161 4.490 4.350 -0.035 0.000 0.254 478 T C 1.006 175.742 174.700 0.060 0.000 1.041 478 T CA 0.091 62.226 62.100 0.058 0.000 1.142 478 T CB 0.318 69.215 68.868 0.048 0.000 0.874 478 T HN 0.300 nan 8.240 nan 0.000 0.452 479 R N 0.890 121.425 120.500 0.059 0.000 2.854 479 R HA 0.512 4.831 4.340 -0.035 0.000 0.271 479 R C 0.902 177.244 176.300 0.070 0.000 0.996 479 R CA -0.715 55.421 56.100 0.061 0.000 0.961 479 R CB 1.133 31.463 30.300 0.050 0.000 1.182 479 R HN 0.289 nan 8.270 nan 0.000 0.479 480 E N 0.434 120.682 120.200 0.080 0.000 2.204 480 E HA -0.152 4.177 4.350 -0.035 0.000 0.195 480 E C 1.150 177.799 176.600 0.080 0.000 0.990 480 E CA 1.765 58.224 56.400 0.099 0.000 0.821 480 E CB 0.150 29.920 29.700 0.116 0.000 0.750 480 E HN 0.610 nan 8.360 nan 0.000 0.477 481 S N 0.887 116.624 115.700 0.061 0.000 2.547 481 S HA -0.146 4.303 4.470 -0.035 0.000 0.235 481 S C 1.313 175.929 174.600 0.027 0.000 0.980 481 S CA 1.065 59.292 58.200 0.044 0.000 0.941 481 S CB -0.308 62.914 63.200 0.037 0.000 0.763 481 S HN 0.445 nan 8.310 nan 0.000 0.532 482 E N -0.196 120.023 120.200 0.032 0.000 2.758 482 E HA 0.545 4.874 4.350 -0.035 0.000 0.215 482 E C 0.649 177.261 176.600 0.020 0.000 0.985 482 E CA 0.083 56.495 56.400 0.021 0.000 1.102 482 E CB 0.484 30.203 29.700 0.031 0.000 1.042 482 E HN 0.418 nan 8.360 nan 0.000 0.480 483 A N 0.989 123.822 122.820 0.021 0.000 2.545 483 A HA 0.343 4.643 4.320 -0.035 0.000 0.277 483 A C 0.140 177.677 177.584 -0.079 0.000 1.301 483 A CA -0.213 51.836 52.037 0.019 0.000 0.935 483 A CB 0.303 19.355 19.000 0.087 0.000 1.093 483 A HN 0.107 nan 8.150 nan 0.000 0.519 484 V N 2.693 122.490 119.914 -0.195 0.000 2.275 484 V HA 0.379 4.478 4.120 -0.035 0.000 0.272 484 V C -0.504 175.352 176.094 -0.396 0.000 1.028 484 V CA -0.707 61.267 62.300 -0.542 0.000 0.810 484 V CB 0.442 31.890 31.823 -0.626 0.000 1.043 484 V HN 0.440 nan 8.190 nan 0.000 0.453 485 R N 3.308 123.584 120.500 -0.372 0.000 2.668 485 R HA 0.629 4.948 4.340 -0.035 0.000 0.279 485 R C 0.015 176.256 176.300 -0.098 0.000 0.976 485 R CA -0.651 55.371 56.100 -0.130 0.000 0.978 485 R CB 2.076 32.411 30.300 0.058 0.000 1.133 485 R HN 0.887 nan 8.270 nan 0.000 0.484 486 E N 0.597 120.843 120.200 0.077 0.000 2.249 486 E HA 0.723 5.053 4.350 -0.035 0.000 0.263 486 E C -0.799 175.999 176.600 0.330 0.000 0.950 486 E CA -1.100 55.376 56.400 0.126 0.000 0.827 486 E CB 1.581 31.314 29.700 0.055 0.000 1.220 486 E HN 0.510 nan 8.360 nan 0.000 0.411 487 A N 0.950 123.956 122.820 0.311 0.000 2.313 487 A HA 0.318 4.617 4.320 -0.035 0.000 0.261 487 A C -0.321 177.350 177.584 0.145 0.000 1.090 487 A CA -0.125 52.105 52.037 0.321 0.000 0.807 487 A CB 0.429 19.613 19.000 0.305 0.000 1.055 487 A HN 0.711 nan 8.150 nan 0.000 0.492 488 D N -0.441 119.999 120.400 0.067 0.000 2.634 488 D HA 0.373 4.992 4.640 -0.035 0.000 0.236 488 D C 0.618 176.911 176.300 -0.011 0.000 1.323 488 D CA 0.285 54.296 54.000 0.018 0.000 0.884 488 D CB 0.526 41.320 40.800 -0.009 0.000 1.496 488 D HN 0.480 nan 8.370 nan 0.000 0.525 489 A N 2.766 125.598 122.820 0.019 0.000 1.978 489 A HA -0.167 4.132 4.320 -0.035 0.000 0.220 489 A C 2.090 179.664 177.584 -0.017 0.000 1.170 489 A CA 1.317 53.361 52.037 0.010 0.000 0.636 489 A CB -0.233 18.789 19.000 0.036 0.000 0.810 489 A HN 0.499 nan 8.150 nan 0.000 0.448 490 R N -0.234 120.257 120.500 -0.016 0.000 2.091 490 R HA -0.144 4.175 4.340 -0.035 0.000 0.238 490 R C 1.713 177.985 176.300 -0.047 0.000 1.136 490 R CA 1.986 58.069 56.100 -0.028 0.000 0.959 490 R CB -0.389 29.901 30.300 -0.018 0.000 0.856 490 R HN 0.631 nan 8.270 nan 0.000 0.437 491 T N -3.260 111.264 114.554 -0.051 0.000 3.206 491 T HA 0.227 4.557 4.350 -0.035 0.000 0.253 491 T C 0.902 175.550 174.700 -0.086 0.000 1.042 491 T CA 0.258 62.318 62.100 -0.066 0.000 0.931 491 T CB 0.694 69.526 68.868 -0.060 0.000 1.029 491 T HN 0.398 nan 8.240 nan 0.000 0.564 492 G N 2.361 111.112 108.800 -0.082 0.000 2.283 492 G HA2 -0.354 3.585 3.960 -0.035 0.000 0.280 492 G HA3 -0.354 3.585 3.960 -0.035 0.000 0.280 492 G C 0.075 174.890 174.900 -0.142 0.000 1.029 492 G CA 0.216 45.266 45.100 -0.085 0.000 0.840 492 G HN 0.903 nan 8.290 nan 0.000 0.505 493 R N 0.669 121.045 120.500 -0.206 0.000 2.502 493 R HA 0.390 4.709 4.340 -0.035 0.000 0.292 493 R C 0.898 176.815 176.300 -0.640 0.000 0.998 493 R CA 1.115 56.968 56.100 -0.412 0.000 1.056 493 R CB 0.149 30.191 30.300 -0.431 0.000 0.939 493 R HN 0.481 nan 8.270 nan 0.000 0.411 494 T N 0.822 114.930 114.554 -0.743 0.000 2.804 494 T HA 0.550 4.879 4.350 -0.035 0.000 0.290 494 T C -1.009 173.198 174.700 -0.821 0.000 1.099 494 T CA -0.967 60.712 62.100 -0.701 0.000 1.011 494 T CB 1.273 69.909 68.868 -0.386 0.000 1.291 494 T HN 0.570 nan 8.240 nan 0.000 0.523 495 W N 0.579 121.820 121.300 -0.098 0.000 2.781 495 W HA 0.580 5.219 4.660 -0.035 0.000 0.333 495 W C -1.216 175.273 176.519 -0.050 0.000 1.047 495 W CA -1.154 56.158 57.345 -0.054 0.000 1.236 495 W CB 1.639 31.077 29.460 -0.036 0.000 1.394 495 W HN 0.587 nan 8.180 nan 0.000 0.466 496 I N 4.429 125.093 120.570 0.158 0.000 2.354 496 I HA 0.313 4.463 4.170 -0.035 0.000 0.292 496 I C -0.294 175.903 176.117 0.133 0.000 0.989 496 I CA -0.960 60.407 61.300 0.111 0.000 1.188 496 I CB 1.272 39.309 38.000 0.060 0.000 1.342 496 I HN 0.100 nan 8.210 nan 0.000 0.457 497 I N 6.094 126.746 120.570 0.137 0.000 2.312 497 I HA 0.287 4.436 4.170 -0.035 0.000 0.290 497 I C 0.374 176.568 176.117 0.128 0.000 1.008 497 I CA 0.214 61.588 61.300 0.123 0.000 1.226 497 I CB 1.162 39.226 38.000 0.107 0.000 1.371 497 I HN 0.601 nan 8.210 nan 0.000 0.468 498 S N 3.959 119.723 115.700 0.108 0.000 2.677 498 S HA 0.582 5.031 4.470 -0.035 0.000 0.304 498 S C -0.664 173.988 174.600 0.086 0.000 1.108 498 S CA -0.925 57.337 58.200 0.105 0.000 0.944 498 S CB 1.972 65.220 63.200 0.081 0.000 1.127 498 S HN 0.518 nan 8.310 nan 0.000 0.511 499 N N 1.066 119.811 118.700 0.075 0.000 2.518 499 N HA 0.423 5.142 4.740 -0.035 0.000 0.254 499 N C -2.335 173.193 175.510 0.032 0.000 0.979 499 N CA -2.263 50.818 53.050 0.050 0.000 0.930 499 N CB 1.400 39.910 38.487 0.039 0.000 1.152 499 N HN 0.223 nan 8.380 nan 0.000 0.505 500 P HA -0.088 nan 4.420 nan 0.000 0.218 500 P C -0.071 177.237 177.300 0.013 0.000 1.146 500 P CA 1.396 64.511 63.100 0.025 0.000 0.813 500 P CB 0.420 32.139 31.700 0.032 0.000 0.778 501 E N -1.970 118.236 120.200 0.010 0.000 2.501 501 E HA 0.157 4.486 4.350 -0.035 0.000 0.201 501 E C 0.076 176.667 176.600 -0.015 0.000 1.016 501 E CA -0.081 56.319 56.400 0.001 0.000 0.920 501 E CB 0.343 30.047 29.700 0.007 0.000 1.023 501 E HN -0.068 nan 8.360 nan 0.000 0.474 502 S N 1.071 116.757 115.700 -0.024 0.000 2.640 502 S HA 0.348 4.797 4.470 -0.035 0.000 0.320 502 S C -0.865 173.696 174.600 -0.066 0.000 1.097 502 S CA -0.715 57.452 58.200 -0.055 0.000 1.092 502 S CB 0.279 63.435 63.200 -0.073 0.000 0.988 502 S HN -0.025 nan 8.310 nan 0.000 0.470 503 K N 2.911 123.270 120.400 -0.068 0.000 2.208 503 K HA 0.448 4.747 4.320 -0.035 0.000 0.247 503 K C -0.053 176.493 176.600 -0.091 0.000 0.953 503 K CA -1.035 55.212 56.287 -0.065 0.000 0.837 503 K CB 0.935 33.411 32.500 -0.041 0.000 1.131 503 K HN 0.720 nan 8.250 nan 0.000 0.431 504 N N 0.540 119.188 118.700 -0.087 0.000 2.405 504 N HA 0.064 4.783 4.740 -0.035 0.000 0.269 504 N C 0.711 176.186 175.510 -0.059 0.000 1.249 504 N CA -0.531 52.462 53.050 -0.094 0.000 0.974 504 N CB 0.293 38.725 38.487 -0.091 0.000 1.204 504 N HN 0.588 nan 8.380 nan 0.000 0.565 505 R N -0.639 119.832 120.500 -0.048 0.000 2.211 505 R HA -0.045 4.274 4.340 -0.035 0.000 0.240 505 R C 0.683 176.968 176.300 -0.025 0.000 1.144 505 R CA 1.317 57.398 56.100 -0.032 0.000 0.992 505 R CB -0.802 29.484 30.300 -0.023 0.000 0.869 505 R HN 0.566 nan 8.270 nan 0.000 0.462 506 L N 1.418 122.626 121.223 -0.025 0.000 2.653 506 L HA 0.128 4.447 4.340 -0.035 0.000 0.232 506 L C 0.291 177.149 176.870 -0.020 0.000 1.169 506 L CA -0.039 54.789 54.840 -0.019 0.000 0.951 506 L CB -0.768 41.282 42.059 -0.016 0.000 1.181 506 L HN 0.456 nan 8.230 nan 0.000 0.460 507 N N 2.158 120.844 118.700 -0.024 0.000 2.735 507 N HA -0.198 4.521 4.740 -0.035 0.000 0.248 507 N C -0.016 175.482 175.510 -0.020 0.000 1.083 507 N CA 0.622 53.658 53.050 -0.022 0.000 0.703 507 N CB -0.165 38.312 38.487 -0.017 0.000 1.005 507 N HN 0.751 nan 8.380 nan 0.000 0.550 508 E N -0.461 119.725 120.200 -0.023 0.000 2.199 508 E HA 0.543 4.872 4.350 -0.035 0.000 0.269 508 E C -2.967 173.620 176.600 -0.021 0.000 0.899 508 E CA -2.262 54.128 56.400 -0.016 0.000 0.772 508 E CB 1.623 31.316 29.700 -0.012 0.000 1.155 508 E HN -0.051 nan 8.360 nan 0.000 0.408 509 P HA -0.086 nan 4.420 nan 0.000 0.260 509 P C 0.001 177.301 177.300 0.000 0.000 1.185 509 P CA -0.069 63.028 63.100 -0.005 0.000 0.763 509 P CB 0.484 32.193 31.700 0.014 0.000 0.776 510 V N 2.323 122.223 119.914 -0.023 0.000 3.139 510 V HA 0.656 4.755 4.120 -0.035 0.000 0.307 510 V C 0.592 176.766 176.094 0.133 0.000 1.095 510 V CA 0.469 62.768 62.300 -0.003 0.000 1.160 510 V CB 0.182 31.908 31.823 -0.162 0.000 1.003 510 V HN 0.723 nan 8.190 nan 0.000 0.489 511 G N 1.920 110.853 108.800 0.222 0.000 2.600 511 G HA2 0.610 4.549 3.960 -0.035 0.000 0.293 511 G HA3 0.610 4.549 3.960 -0.035 0.000 0.293 511 G C -2.274 172.747 174.900 0.203 0.000 1.408 511 G CA -0.741 44.492 45.100 0.222 0.000 0.782 511 G HN 0.837 nan 8.290 nan 0.000 0.482 512 Y N -0.147 120.174 120.300 0.036 0.000 2.433 512 Y HA 0.570 5.099 4.550 -0.035 0.000 0.337 512 Y C -0.066 175.849 175.900 0.025 0.000 1.026 512 Y CA -0.797 57.304 58.100 0.002 0.000 1.037 512 Y CB 2.754 41.179 38.460 -0.058 0.000 1.245 512 Y HN 0.515 nan 8.280 nan 0.000 0.443 513 K N 4.900 125.343 120.400 0.071 0.000 2.235 513 K HA 0.515 4.814 4.320 -0.035 0.000 0.266 513 K C -1.498 175.074 176.600 -0.047 0.000 0.980 513 K CA -0.623 55.649 56.287 -0.024 0.000 0.849 513 K CB 0.986 33.401 32.500 -0.141 0.000 1.098 513 K HN 0.786 nan 8.250 nan 0.000 0.445 514 L N 5.249 126.461 121.223 -0.018 0.000 2.265 514 L HA 0.268 4.587 4.340 -0.035 0.000 0.288 514 L C -1.052 175.776 176.870 -0.069 0.000 1.058 514 L CA -0.478 54.395 54.840 0.055 0.000 0.809 514 L CB 0.329 42.450 42.059 0.104 0.000 1.179 514 L HN 0.771 nan 8.230 nan 0.000 0.429 515 H N 4.381 123.561 119.070 0.183 0.000 2.623 515 H HA 0.502 5.037 4.556 -0.035 0.000 0.299 515 H C 0.070 175.534 175.328 0.226 0.000 1.052 515 H CA -0.305 55.842 56.048 0.165 0.000 1.231 515 H CB 1.302 31.142 29.762 0.130 0.000 1.389 515 H HN 0.760 nan 8.280 nan 0.000 0.469 516 A N 2.191 125.209 122.820 0.330 0.000 2.286 516 A HA 0.165 4.464 4.320 -0.035 0.000 0.286 516 A C 0.477 178.347 177.584 0.477 0.000 1.097 516 A CA -0.498 51.777 52.037 0.396 0.000 0.821 516 A CB 0.418 19.702 19.000 0.473 0.000 1.076 516 A HN 1.002 nan 8.150 nan 0.000 0.490 517 H N 0.765 120.006 119.070 0.284 0.000 2.548 517 H HA -0.002 4.533 4.556 -0.035 0.000 0.268 517 H C -0.134 175.306 175.328 0.186 0.000 0.975 517 H CA 0.267 56.432 56.048 0.195 0.000 1.195 517 H CB 0.162 30.027 29.762 0.172 0.000 1.397 517 H HN 0.764 nan 8.280 nan 0.000 0.572 518 N N 2.123 121.040 118.700 0.362 0.000 2.740 518 N HA -0.161 4.558 4.740 -0.035 0.000 0.248 518 N C -0.558 175.077 175.510 0.208 0.000 1.062 518 N CA 0.531 53.742 53.050 0.267 0.000 0.704 518 N CB -0.794 37.810 38.487 0.194 0.000 0.968 518 N HN 0.507 nan 8.380 nan 0.000 0.547 519 Q N -0.141 119.795 119.800 0.227 0.000 2.382 519 Q HA 0.393 4.712 4.340 -0.035 0.000 0.229 519 Q C -1.826 174.245 176.000 0.118 0.000 1.006 519 Q CA -1.057 54.844 55.803 0.163 0.000 0.916 519 Q CB 0.221 29.066 28.738 0.177 0.000 1.235 519 Q HN 0.150 nan 8.270 nan 0.000 0.512 520 P HA 0.046 nan 4.420 nan 0.000 0.271 520 P C -0.238 177.071 177.300 0.014 0.000 1.218 520 P CA 0.054 63.179 63.100 0.042 0.000 0.780 520 P CB 0.526 32.239 31.700 0.021 0.000 0.901 521 T N -0.061 114.497 114.554 0.007 0.000 2.924 521 T HA 0.296 4.625 4.350 -0.035 0.000 0.301 521 T C 0.301 174.955 174.700 -0.075 0.000 1.120 521 T CA -0.846 61.236 62.100 -0.030 0.000 0.940 521 T CB -0.020 68.844 68.868 -0.006 0.000 1.591 521 T HN 0.163 nan 8.240 nan 0.000 0.578 522 L N 1.249 122.402 121.223 -0.116 0.000 2.660 522 L HA 0.131 4.450 4.340 -0.035 0.000 0.272 522 L C 0.959 177.785 176.870 -0.074 0.000 1.194 522 L CA 0.255 55.015 54.840 -0.133 0.000 0.945 522 L CB -0.587 41.369 42.059 -0.172 0.000 1.212 522 L HN 0.626 nan 8.230 nan 0.000 0.490 523 L N 4.897 126.080 121.223 -0.066 0.000 2.341 523 L HA 0.137 4.456 4.340 -0.035 0.000 0.214 523 L C 1.498 178.366 176.870 -0.004 0.000 1.115 523 L CA 0.276 55.102 54.840 -0.023 0.000 0.820 523 L CB -0.553 41.499 42.059 -0.013 0.000 0.944 523 L HN 0.836 nan 8.230 nan 0.000 0.452 524 A N 0.753 123.565 122.820 -0.013 0.000 2.583 524 A HA -0.121 4.178 4.320 -0.035 0.000 0.231 524 A C 0.366 177.961 177.584 0.017 0.000 1.065 524 A CA -0.061 51.983 52.037 0.011 0.000 0.760 524 A CB -0.089 18.917 19.000 0.011 0.000 1.001 524 A HN 0.301 nan 8.150 nan 0.000 0.509 525 D N 2.165 122.584 120.400 0.031 0.000 2.506 525 D HA -0.002 4.617 4.640 -0.035 0.000 0.234 525 D C -1.125 175.189 176.300 0.023 0.000 1.143 525 D CA -0.700 53.318 54.000 0.030 0.000 0.871 525 D CB 0.819 41.642 40.800 0.038 0.000 1.190 525 D HN 0.292 nan 8.370 nan 0.000 0.459 526 P HA -0.076 nan 4.420 nan 0.000 0.222 526 P C 1.021 178.331 177.300 0.016 0.000 1.147 526 P CA 0.822 63.931 63.100 0.015 0.000 0.790 526 P CB 0.107 31.815 31.700 0.014 0.000 0.780 527 G N 0.021 108.832 108.800 0.019 0.000 3.042 527 G HA2 0.023 3.962 3.960 -0.035 0.000 0.212 527 G HA3 0.023 3.962 3.960 -0.035 0.000 0.212 527 G C 0.628 175.540 174.900 0.020 0.000 1.166 527 G CA 0.090 45.200 45.100 0.017 0.000 0.767 527 G HN 0.433 nan 8.290 nan 0.000 0.546 528 S N -0.457 115.261 115.700 0.030 0.000 2.593 528 S HA 0.301 4.750 4.470 -0.035 0.000 0.269 528 S C 1.610 176.222 174.600 0.020 0.000 1.334 528 S CA 0.431 58.659 58.200 0.047 0.000 1.015 528 S CB 1.697 64.939 63.200 0.070 0.000 0.912 528 S HN 0.114 nan 8.310 nan 0.000 0.541 529 S N 1.031 116.731 115.700 0.001 0.000 2.353 529 S HA -0.166 4.284 4.470 -0.035 0.000 0.222 529 S C 1.716 176.302 174.600 -0.025 0.000 1.035 529 S CA 1.316 59.456 58.200 -0.100 0.000 1.025 529 S CB -0.854 62.120 63.200 -0.378 0.000 0.902 529 S HN 0.727 nan 8.310 nan 0.000 0.440 530 I N 2.056 122.659 120.570 0.054 0.000 2.264 530 I HA -0.051 4.098 4.170 -0.035 0.000 0.248 530 I C 2.376 178.525 176.117 0.054 0.000 1.111 530 I CA 1.409 62.774 61.300 0.109 0.000 1.382 530 I CB -0.893 37.183 38.000 0.127 0.000 1.060 530 I HN 0.363 nan 8.210 nan 0.000 0.418 531 A N 0.280 123.113 122.820 0.022 0.000 1.972 531 A HA -0.182 4.117 4.320 -0.035 0.000 0.219 531 A C 2.433 180.020 177.584 0.005 0.000 1.169 531 A CA 1.561 53.597 52.037 -0.003 0.000 0.635 531 A CB -0.557 18.445 19.000 0.003 0.000 0.810 531 A HN 0.470 nan 8.150 nan 0.000 0.446 532 R N -0.833 119.673 120.500 0.010 0.000 2.075 532 R HA 0.017 4.336 4.340 -0.035 0.000 0.226 532 R C 2.272 178.581 176.300 0.014 0.000 1.114 532 R CA 1.232 57.334 56.100 0.003 0.000 0.972 532 R CB -0.223 30.070 30.300 -0.012 0.000 0.869 532 R HN 0.448 nan 8.270 nan 0.000 0.437 533 R N 0.138 120.669 120.500 0.052 0.000 2.193 533 R HA 0.090 4.409 4.340 -0.035 0.000 0.213 533 R C 0.818 177.259 176.300 0.235 0.000 1.055 533 R CA 0.978 57.133 56.100 0.092 0.000 0.995 533 R CB 0.363 30.719 30.300 0.094 0.000 0.893 533 R HN 0.062 nan 8.270 nan 0.000 0.459 534 A N 0.070 123.014 122.820 0.207 0.000 2.956 534 A HA 0.505 4.804 4.320 -0.035 0.000 0.294 534 A C 1.069 178.567 177.584 -0.143 0.000 0.993 534 A CA -0.132 51.988 52.037 0.138 0.000 1.032 534 A CB 0.378 19.338 19.000 -0.067 0.000 1.129 534 A HN 0.208 nan 8.150 nan 0.000 0.505 535 A N 0.293 123.091 122.820 -0.036 0.000 1.986 535 A HA -0.069 4.230 4.320 -0.035 0.000 0.220 535 A C 1.800 179.378 177.584 -0.011 0.000 1.171 535 A CA 1.862 53.885 52.037 -0.022 0.000 0.640 535 A CB -1.011 17.992 19.000 0.004 0.000 0.811 535 A HN 1.456 nan 8.150 nan 0.000 0.451 536 F N -0.098 119.692 119.950 -0.266 0.000 2.192 536 F HA -0.060 4.445 4.527 -0.035 0.000 0.301 536 F C 2.040 177.878 175.800 0.064 0.000 1.079 536 F CA 0.997 58.739 58.000 -0.430 0.000 1.303 536 F CB -0.900 37.764 39.000 -0.559 0.000 1.024 536 F HN 0.154 nan 8.300 nan 0.000 0.494 537 A N 0.444 122.651 122.820 -1.022 0.000 2.206 537 A HA -0.013 4.286 4.320 -0.035 0.000 0.211 537 A C 2.110 179.549 177.584 -0.243 0.000 1.158 537 A CA 1.298 52.864 52.037 -0.784 0.000 0.761 537 A CB -1.469 16.882 19.000 -1.082 0.000 0.801 537 A HN 0.589 nan 8.150 nan 0.000 0.473 538 T N -3.420 111.096 114.554 -0.063 0.000 3.088 538 T HA 0.173 4.502 4.350 -0.035 0.000 0.259 538 T C 0.639 175.363 174.700 0.040 0.000 1.122 538 T CA 0.328 62.432 62.100 0.006 0.000 1.095 538 T CB 0.094 68.984 68.868 0.036 0.000 0.930 538 T HN 0.105 nan 8.240 nan 0.000 0.508 539 K N 0.900 121.372 120.400 0.120 0.000 2.435 539 K HA 0.418 4.717 4.320 -0.035 0.000 0.251 539 K C -0.391 176.240 176.600 0.050 0.000 0.954 539 K CA -0.557 55.702 56.287 -0.046 0.000 0.820 539 K CB 2.106 34.317 32.500 -0.481 0.000 1.292 539 K HN -0.052 nan 8.250 nan 0.000 0.436 540 D N 0.230 120.619 120.400 -0.018 0.000 2.162 540 D HA -0.008 4.611 4.640 -0.035 0.000 0.203 540 D C 0.067 176.385 176.300 0.030 0.000 0.967 540 D CA 0.779 54.816 54.000 0.062 0.000 0.840 540 D CB 0.332 41.230 40.800 0.163 0.000 0.972 540 D HN 0.151 nan 8.370 nan 0.000 0.482 541 L N -0.297 120.763 121.223 -0.271 0.000 2.431 541 L HA 0.482 4.801 4.340 -0.035 0.000 0.266 541 L C -1.988 174.717 176.870 -0.275 0.000 0.978 541 L CA -0.662 54.001 54.840 -0.295 0.000 0.822 541 L CB 1.532 42.971 42.059 -1.033 0.000 1.310 541 L HN -0.120 nan 8.230 nan 0.000 0.409 542 W N 4.207 125.501 121.300 -0.009 0.000 2.819 542 W HA 0.751 5.390 4.660 -0.035 0.000 0.337 542 W C -1.191 175.463 176.519 0.226 0.000 1.077 542 W CA -0.808 56.583 57.345 0.076 0.000 1.226 542 W CB 2.012 31.494 29.460 0.038 0.000 1.419 542 W HN 0.158 nan 8.180 nan 0.000 0.502 543 V N 2.677 122.827 119.914 0.395 0.000 2.531 543 V HA 0.714 4.813 4.120 -0.035 0.000 0.301 543 V C -0.141 176.165 176.094 0.352 0.000 1.034 543 V CA -0.820 61.683 62.300 0.339 0.000 0.865 543 V CB 1.422 33.352 31.823 0.179 0.000 0.995 543 V HN 0.584 nan 8.190 nan 0.000 0.424 544 T N 1.455 116.258 114.554 0.415 0.000 2.916 544 T HA 0.742 5.071 4.350 -0.035 0.000 0.292 544 T C -0.455 174.382 174.700 0.229 0.000 1.055 544 T CA -0.956 61.346 62.100 0.336 0.000 1.009 544 T CB 2.141 71.283 68.868 0.456 0.000 1.118 544 T HN 0.522 nan 8.240 nan 0.000 0.497 545 R N 0.996 121.589 120.500 0.155 0.000 2.543 545 R HA 0.284 4.603 4.340 -0.035 0.000 0.277 545 R C -0.811 175.548 176.300 0.099 0.000 1.074 545 R CA -0.790 55.381 56.100 0.118 0.000 1.076 545 R CB -0.506 29.839 30.300 0.076 0.000 0.993 545 R HN 0.796 nan 8.270 nan 0.000 0.459 546 Y N 2.756 123.052 120.300 -0.007 0.000 2.497 546 Y HA 0.367 4.896 4.550 -0.035 0.000 0.334 546 Y C -0.760 175.089 175.900 -0.086 0.000 1.199 546 Y CA 0.631 58.696 58.100 -0.058 0.000 1.425 546 Y CB 0.620 39.018 38.460 -0.104 0.000 1.291 546 Y HN 0.731 nan 8.280 nan 0.000 0.562 547 A N 5.059 127.167 122.820 -1.186 0.000 2.465 547 A HA 0.248 4.547 4.320 -0.035 0.000 0.292 547 A C 0.116 177.044 177.584 -1.093 0.000 1.041 547 A CA -0.285 51.199 52.037 -0.922 0.000 0.718 547 A CB 0.552 19.259 19.000 -0.489 0.000 1.266 547 A HN 0.850 nan 8.150 nan 0.000 0.403 548 D N 1.908 121.853 120.400 -0.758 0.000 2.221 548 D HA -0.211 4.408 4.640 -0.035 0.000 0.204 548 D C 0.574 176.700 176.300 -0.290 0.000 0.982 548 D CA 1.797 55.568 54.000 -0.381 0.000 0.857 548 D CB -0.061 40.671 40.800 -0.114 0.000 0.934 548 D HN 0.591 nan 8.370 nan 0.000 0.475 549 D N -0.094 120.128 120.400 -0.297 0.000 2.339 549 D HA -0.034 4.585 4.640 -0.035 0.000 0.217 549 D C -0.201 175.915 176.300 -0.306 0.000 1.050 549 D CA -0.140 53.724 54.000 -0.227 0.000 0.856 549 D CB -0.520 40.193 40.800 -0.144 0.000 0.922 549 D HN 0.283 nan 8.370 nan 0.000 0.518 550 E N 0.647 120.579 120.200 -0.447 0.000 2.261 550 E HA 0.288 4.617 4.350 -0.035 0.000 0.239 550 E C 0.297 176.717 176.600 -0.300 0.000 0.991 550 E CA -0.280 55.757 56.400 -0.606 0.000 0.847 550 E CB 0.878 30.001 29.700 -0.962 0.000 1.223 550 E HN 0.069 nan 8.360 nan 0.000 0.446 551 R N 0.717 121.013 120.500 -0.340 0.000 2.206 551 R HA 0.127 4.446 4.340 -0.035 0.000 0.198 551 R C -0.127 175.802 176.300 -0.618 0.000 0.986 551 R CA 0.614 56.355 56.100 -0.597 0.000 1.029 551 R CB 0.314 29.969 30.300 -1.076 0.000 0.966 551 R HN 0.255 nan 8.270 nan 0.000 0.487 552 Y N 0.003 120.426 120.300 0.204 0.000 2.499 552 Y HA 0.337 4.866 4.550 -0.034 0.000 0.347 552 Y C -1.770 174.107 175.900 -0.039 0.000 0.987 552 Y CA -3.255 54.916 58.100 0.119 0.000 1.044 552 Y CB 1.399 39.825 38.460 -0.057 0.000 1.245 552 Y HN -0.201 nan 8.280 nan 0.000 0.461 553 P HA -0.069 nan 4.420 nan 0.000 0.229 553 P C 0.615 177.604 177.300 -0.519 0.000 1.160 553 P CA 1.377 64.094 63.100 -0.639 0.000 0.777 553 P CB 0.202 31.434 31.700 -0.781 0.000 0.814 554 T N -4.903 109.474 114.554 -0.294 0.000 3.044 554 T HA 0.514 4.843 4.350 -0.035 0.000 0.260 554 T C 0.901 175.443 174.700 -0.263 0.000 1.019 554 T CA 0.167 62.139 62.100 -0.213 0.000 0.921 554 T CB 0.172 69.006 68.868 -0.057 0.000 1.053 554 T HN 0.336 nan 8.240 nan 0.000 0.533 555 G N 1.161 109.860 108.800 -0.170 0.000 2.592 555 G HA2 -0.115 3.824 3.960 -0.035 0.000 0.684 555 G HA3 -0.115 3.824 3.960 -0.035 0.000 0.684 555 G C -0.360 174.499 174.900 -0.068 0.000 1.291 555 G CA -0.103 44.919 45.100 -0.129 0.000 0.891 555 G HN 0.080 nan 8.290 nan 0.000 0.544 556 D N -0.648 119.646 120.400 -0.177 0.000 2.149 556 D HA 0.065 4.684 4.640 -0.035 0.000 0.201 556 D C 0.832 176.615 176.300 -0.862 0.000 0.972 556 D CA 1.471 55.186 54.000 -0.475 0.000 0.835 556 D CB -0.019 40.316 40.800 -0.775 0.000 0.966 556 D HN 0.204 nan 8.370 nan 0.000 0.476 557 F N 0.384 120.243 119.950 -0.151 0.000 2.359 557 F HA 0.217 4.723 4.527 -0.035 0.000 0.370 557 F C 1.124 176.816 175.800 -0.180 0.000 1.077 557 F CA -0.601 57.280 58.000 -0.199 0.000 1.136 557 F CB 1.227 40.089 39.000 -0.231 0.000 1.387 557 F HN -0.350 nan 8.300 nan 0.000 0.468 558 V N 0.123 119.956 119.914 -0.135 0.000 2.488 558 V HA -0.168 3.932 4.120 -0.035 0.000 0.246 558 V C 1.312 177.273 176.094 -0.221 0.000 1.046 558 V CA 0.715 62.867 62.300 -0.248 0.000 1.053 558 V CB -0.487 31.119 31.823 -0.361 0.000 0.679 558 V HN 0.658 nan 8.190 nan 0.000 0.458 559 N N 1.489 120.108 118.700 -0.136 0.000 2.374 559 N HA -0.093 4.626 4.740 -0.035 0.000 0.269 559 N C 0.592 176.042 175.510 -0.100 0.000 1.310 559 N CA 0.788 53.766 53.050 -0.119 0.000 0.877 559 N CB -0.202 38.224 38.487 -0.102 0.000 1.096 559 N HN 0.512 nan 8.380 nan 0.000 0.484 560 Q N -0.199 119.536 119.800 -0.109 0.000 2.480 560 Q HA -0.308 4.011 4.340 -0.035 0.000 0.265 560 Q C -0.480 175.452 176.000 -0.112 0.000 1.072 560 Q CA 0.816 56.556 55.803 -0.105 0.000 1.018 560 Q CB -1.548 27.130 28.738 -0.101 0.000 1.433 560 Q HN 0.682 nan 8.270 nan 0.000 0.513 561 H N 0.257 119.221 119.070 -0.176 0.000 2.582 561 H HA 0.166 4.701 4.556 -0.035 0.000 0.345 561 H C 1.262 176.492 175.328 -0.163 0.000 1.104 561 H CA 0.994 56.950 56.048 -0.153 0.000 1.390 561 H CB 1.108 30.779 29.762 -0.151 0.000 1.461 561 H HN 0.284 nan 8.280 nan 0.000 0.551 562 S N 2.613 118.029 115.700 -0.472 0.000 2.447 562 S HA 0.114 4.563 4.470 -0.035 0.000 0.233 562 S C 0.982 175.547 174.600 -0.059 0.000 1.006 562 S CA 0.455 58.505 58.200 -0.250 0.000 0.957 562 S CB 0.076 63.104 63.200 -0.288 0.000 0.773 562 S HN 1.041 nan 8.310 nan 0.000 0.507 563 G N -1.329 107.590 108.800 0.199 0.000 2.335 563 G HA2 0.485 4.424 3.960 -0.035 0.000 0.592 563 G HA3 0.485 4.424 3.960 -0.035 0.000 0.592 563 G C 0.361 175.320 174.900 0.098 0.000 1.442 563 G CA -0.145 45.022 45.100 0.112 0.000 0.976 563 G HN 1.451 nan 8.290 nan 0.000 0.652 564 G N -1.032 107.760 108.800 -0.012 0.000 2.168 564 G HA2 0.061 4.000 3.960 -0.035 0.000 0.263 564 G HA3 0.061 4.000 3.960 -0.035 0.000 0.263 564 G C 1.667 176.469 174.900 -0.162 0.000 0.977 564 G CA 1.657 46.718 45.100 -0.066 0.000 0.659 564 G HN 2.409 nan 8.290 nan 0.000 0.533 565 A N -0.298 122.357 122.820 -0.274 0.000 1.877 565 A HA 0.388 4.687 4.320 -0.035 0.000 0.216 565 A C 2.445 179.717 177.584 -0.520 0.000 1.186 565 A CA 2.370 54.132 52.037 -0.459 0.000 0.620 565 A CB -0.790 17.660 19.000 -0.917 0.000 0.822 565 A HN 1.630 nan 8.150 nan 0.000 0.443 566 G N -0.953 107.479 108.800 -0.613 0.000 2.908 566 G HA2 0.231 4.170 3.960 -0.035 0.000 0.188 566 G HA3 0.231 4.170 3.960 -0.035 0.000 0.188 566 G C 1.298 175.249 174.900 -1.582 0.000 1.903 566 G CA 0.278 44.757 45.100 -1.035 0.000 0.883 566 G HN 0.283 nan 8.290 nan 0.000 0.515 567 L N 1.965 122.414 121.223 -1.290 0.000 2.021 567 L HA -0.105 4.214 4.340 -0.035 0.000 0.215 567 L C 0.232 176.709 176.870 -0.655 0.000 1.074 567 L CA 1.777 55.935 54.840 -1.136 0.000 0.760 567 L CB -1.099 40.053 42.059 -1.512 0.000 0.889 567 L HN 0.298 nan 8.230 nan 0.000 0.433 568 P HA -0.141 nan 4.420 nan 0.000 0.220 568 P C 1.670 178.885 177.300 -0.143 0.000 1.148 568 P CA 1.432 64.437 63.100 -0.158 0.000 0.803 568 P CB 0.161 31.804 31.700 -0.096 0.000 0.782 569 S N -1.506 114.028 115.700 -0.277 0.000 2.362 569 S HA -0.093 4.356 4.470 -0.035 0.000 0.221 569 S C 1.924 176.524 174.600 -0.000 0.000 1.032 569 S CA 0.555 58.668 58.200 -0.144 0.000 0.973 569 S CB -0.812 62.282 63.200 -0.177 0.000 0.849 569 S HN -0.051 nan 8.310 nan 0.000 0.465 570 Y N 2.082 122.308 120.300 -0.122 0.000 2.114 570 Y HA -0.077 4.452 4.550 -0.035 0.000 0.282 570 Y C 2.356 178.236 175.900 -0.034 0.000 1.165 570 Y CA 0.086 58.129 58.100 -0.095 0.000 1.148 570 Y CB -1.158 37.209 38.460 -0.155 0.000 0.972 570 Y HN 0.243 nan 8.280 nan 0.000 0.504 571 I N 0.101 120.754 120.570 0.139 0.000 2.335 571 I HA -0.261 3.888 4.170 -0.035 0.000 0.251 571 I C 2.466 178.642 176.117 0.099 0.000 1.129 571 I CA 1.418 62.800 61.300 0.137 0.000 1.402 571 I CB -1.660 36.452 38.000 0.187 0.000 1.069 571 I HN 0.160 nan 8.210 nan 0.000 0.424 572 A N 0.227 123.090 122.820 0.072 0.000 2.131 572 A HA -0.220 4.079 4.320 -0.035 0.000 0.220 572 A C 2.154 179.770 177.584 0.052 0.000 1.158 572 A CA 1.176 53.245 52.037 0.053 0.000 0.665 572 A CB -0.572 18.449 19.000 0.034 0.000 0.795 572 A HN 0.569 nan 8.150 nan 0.000 0.460 573 Q N -1.420 118.417 119.800 0.063 0.000 2.230 573 Q HA -0.092 4.227 4.340 -0.035 0.000 0.202 573 Q C 0.153 176.183 176.000 0.049 0.000 0.963 573 Q CA 0.520 56.353 55.803 0.050 0.000 0.866 573 Q CB -0.036 28.731 28.738 0.049 0.000 0.931 573 Q HN 0.600 nan 8.270 nan 0.000 0.452 574 D N 0.704 121.140 120.400 0.060 0.000 2.697 574 D HA -0.157 4.462 4.640 -0.035 0.000 0.238 574 D C -0.926 175.406 176.300 0.053 0.000 1.152 574 D CA 0.587 54.621 54.000 0.057 0.000 0.666 574 D CB -0.616 40.211 40.800 0.045 0.000 1.037 574 D HN 0.211 nan 8.370 nan 0.000 0.423 575 R N 0.262 120.797 120.500 0.059 0.000 2.583 575 R HA 0.391 4.710 4.340 -0.035 0.000 0.268 575 R C 0.185 176.521 176.300 0.059 0.000 1.101 575 R CA -0.589 55.542 56.100 0.053 0.000 1.180 575 R CB 0.403 30.733 30.300 0.050 0.000 1.128 575 R HN 0.154 nan 8.270 nan 0.000 0.568 576 D N 1.453 121.886 120.400 0.054 0.000 2.317 576 D HA 0.063 4.682 4.640 -0.035 0.000 0.252 576 D C 0.570 176.911 176.300 0.068 0.000 1.174 576 D CA -0.181 53.853 54.000 0.056 0.000 0.866 576 D CB 0.567 41.395 40.800 0.047 0.000 1.127 576 D HN 0.536 nan 8.370 nan 0.000 0.467 577 I N -0.088 120.527 120.570 0.075 0.000 4.082 577 I HA 0.332 4.481 4.170 -0.035 0.000 0.337 577 I C 0.326 176.492 176.117 0.081 0.000 1.352 577 I CA -0.436 60.916 61.300 0.087 0.000 1.097 577 I CB 0.336 38.398 38.000 0.103 0.000 1.048 577 I HN 0.108 nan 8.210 nan 0.000 0.393 578 D N 3.117 123.558 120.400 0.069 0.000 2.453 578 D HA 0.312 4.931 4.640 -0.035 0.000 0.223 578 D C 1.091 177.427 176.300 0.060 0.000 1.183 578 D CA 0.594 54.632 54.000 0.063 0.000 0.933 578 D CB 0.303 41.136 40.800 0.054 0.000 1.038 578 D HN 0.549 nan 8.370 nan 0.000 0.513 579 G N 3.206 112.046 108.800 0.066 0.000 2.303 579 G HA2 -0.185 3.754 3.960 -0.035 0.000 0.260 579 G HA3 -0.185 3.754 3.960 -0.035 0.000 0.260 579 G C -0.059 174.883 174.900 0.070 0.000 1.106 579 G CA -0.307 44.832 45.100 0.064 0.000 0.900 579 G HN 0.478 nan 8.290 nan 0.000 0.495 580 Q N -0.632 119.218 119.800 0.083 0.000 2.683 580 Q HA 0.405 4.725 4.340 -0.035 0.000 0.302 580 Q C -0.844 175.224 176.000 0.113 0.000 1.042 580 Q CA -0.933 54.923 55.803 0.088 0.000 0.773 580 Q CB 1.016 29.802 28.738 0.081 0.000 1.508 580 Q HN 0.244 nan 8.270 nan 0.000 0.459 581 D N 1.809 122.273 120.400 0.107 0.000 2.346 581 D HA 0.276 4.895 4.640 -0.035 0.000 0.260 581 D C -0.360 176.023 176.300 0.138 0.000 1.252 581 D CA 0.162 54.229 54.000 0.111 0.000 0.895 581 D CB -0.105 40.668 40.800 -0.044 0.000 1.097 581 D HN 0.431 nan 8.370 nan 0.000 0.489 582 I N 0.041 120.698 120.570 0.146 0.000 3.108 582 I HA 0.678 4.827 4.170 -0.035 0.000 0.312 582 I C -1.045 175.130 176.117 0.097 0.000 1.095 582 I CA -1.063 60.318 61.300 0.136 0.000 1.000 582 I CB 2.254 40.326 38.000 0.121 0.000 1.229 582 I HN -0.066 nan 8.210 nan 0.000 0.454 583 V N 3.328 123.285 119.914 0.072 0.000 2.638 583 V HA 0.454 4.553 4.120 -0.035 0.000 0.306 583 V C -0.306 175.713 176.094 -0.125 0.000 1.052 583 V CA -0.673 61.563 62.300 -0.107 0.000 0.885 583 V CB 1.948 33.630 31.823 -0.235 0.000 0.999 583 V HN 0.568 nan 8.190 nan 0.000 0.424 584 V N 3.565 123.353 119.914 -0.210 0.000 2.435 584 V HA 0.496 4.595 4.120 -0.035 0.000 0.290 584 V C -1.230 174.774 176.094 -0.149 0.000 1.030 584 V CA -0.468 61.792 62.300 -0.065 0.000 0.881 584 V CB 1.738 33.540 31.823 -0.034 0.000 0.983 584 V HN 0.928 nan 8.190 nan 0.000 0.445 585 W N 4.084 125.436 121.300 0.085 0.000 2.336 585 W HA 0.507 5.146 4.660 -0.035 0.000 0.315 585 W C -0.206 176.418 176.519 0.176 0.000 1.016 585 W CA -0.622 56.777 57.345 0.091 0.000 1.318 585 W CB 0.552 30.040 29.460 0.047 0.000 1.247 585 W HN 0.582 nan 8.180 nan 0.000 0.414 586 H N 1.750 120.914 119.070 0.157 0.000 2.556 586 H HA 0.476 5.011 4.556 -0.035 0.000 0.310 586 H C -0.310 175.193 175.328 0.293 0.000 1.057 586 H CA -0.253 55.843 56.048 0.079 0.000 1.264 586 H CB 0.953 30.553 29.762 -0.270 0.000 1.404 586 H HN 0.171 nan 8.280 nan 0.000 0.462 587 T N 7.410 121.925 114.554 -0.064 0.000 2.771 587 T HA 0.400 4.729 4.350 -0.035 0.000 0.291 587 T C -0.983 173.614 174.700 -0.173 0.000 0.954 587 T CA -0.209 61.896 62.100 0.009 0.000 1.045 587 T CB -0.422 68.555 68.868 0.182 0.000 0.917 587 T HN 0.498 nan 8.240 nan 0.000 0.484 588 F N 0.189 120.028 119.950 -0.185 0.000 2.615 588 F HA 0.817 5.323 4.527 -0.034 0.000 0.312 588 F C -0.297 175.583 175.800 0.132 0.000 1.119 588 F CA -1.097 56.855 58.000 -0.079 0.000 0.979 588 F CB 1.000 39.937 39.000 -0.104 0.000 1.266 588 F HN 0.759 nan 8.300 nan 0.000 0.444 589 G N 2.100 110.982 108.800 0.137 0.000 2.645 589 G HA2 0.603 4.542 3.960 -0.035 0.000 0.292 589 G HA3 0.603 4.542 3.960 -0.035 0.000 0.292 589 G C -2.420 172.529 174.900 0.083 0.000 1.415 589 G CA -1.187 43.983 45.100 0.117 0.000 0.785 589 G HN 0.826 nan 8.290 nan 0.000 0.483 590 L N 0.997 122.227 121.223 0.012 0.000 2.282 590 L HA 0.460 4.779 4.340 -0.035 0.000 0.288 590 L C 0.050 176.758 176.870 -0.270 0.000 1.033 590 L CA -0.566 54.214 54.840 -0.100 0.000 0.807 590 L CB 1.950 43.884 42.059 -0.209 0.000 1.209 590 L HN 0.391 nan 8.230 nan 0.000 0.423 591 T N 1.681 116.116 114.554 -0.198 0.000 2.743 591 T HA 0.280 4.609 4.350 -0.035 0.000 0.293 591 T C -0.381 174.089 174.700 -0.385 0.000 0.945 591 T CA -0.215 61.667 62.100 -0.362 0.000 1.030 591 T CB -0.007 68.669 68.868 -0.320 0.000 0.912 591 T HN 0.397 nan 8.240 nan 0.000 0.483 592 H N 2.523 121.144 119.070 -0.748 0.000 2.595 592 H HA 0.294 4.829 4.556 -0.035 0.000 0.313 592 H C -0.893 173.944 175.328 -0.818 0.000 1.023 592 H CA -0.818 54.806 56.048 -0.707 0.000 1.218 592 H CB 0.639 29.947 29.762 -0.757 0.000 1.403 592 H HN 0.469 nan 8.280 nan 0.000 0.477 593 F N 4.326 124.128 119.950 -0.247 0.000 2.319 593 F HA 0.261 4.766 4.527 -0.036 0.000 0.356 593 F C -2.105 173.639 175.800 -0.094 0.000 1.100 593 F CA -2.818 54.940 58.000 -0.404 0.000 1.220 593 F CB 0.401 39.017 39.000 -0.641 0.000 1.506 593 F HN 0.399 nan 8.300 nan 0.000 0.512 594 P HA -0.065 nan 4.420 nan 0.000 0.263 594 P C -0.174 177.211 177.300 0.142 0.000 1.162 594 P CA 0.374 63.571 63.100 0.161 0.000 0.758 594 P CB 0.485 32.348 31.700 0.272 0.000 0.773 595 R N 1.751 122.300 120.500 0.082 0.000 2.828 595 R HA 0.427 4.746 4.340 -0.035 0.000 0.264 595 R C 0.494 176.842 176.300 0.079 0.000 1.022 595 R CA -0.896 55.242 56.100 0.063 0.000 1.021 595 R CB 0.301 30.619 30.300 0.030 0.000 1.163 595 R HN 0.071 nan 8.270 nan 0.000 0.494 596 V N 1.143 121.091 119.914 0.058 0.000 2.469 596 V HA -0.227 3.872 4.120 -0.035 0.000 0.251 596 V C 1.905 178.065 176.094 0.111 0.000 1.064 596 V CA 2.080 64.427 62.300 0.080 0.000 1.066 596 V CB -0.839 31.008 31.823 0.040 0.000 0.667 596 V HN 0.850 nan 8.190 nan 0.000 0.461 597 E N -0.489 119.752 120.200 0.068 0.000 2.511 597 E HA -0.124 4.205 4.350 -0.035 0.000 0.196 597 E C 0.920 177.547 176.600 0.045 0.000 1.066 597 E CA 0.502 56.932 56.400 0.049 0.000 0.871 597 E CB -0.316 29.395 29.700 0.018 0.000 0.863 597 E HN 0.542 nan 8.360 nan 0.000 0.520 598 D N -0.186 120.263 120.400 0.081 0.000 2.355 598 D HA -0.021 4.598 4.640 -0.035 0.000 0.218 598 D C -0.185 176.194 176.300 0.132 0.000 1.004 598 D CA 0.254 54.297 54.000 0.073 0.000 0.880 598 D CB 0.149 40.998 40.800 0.082 0.000 0.911 598 D HN 0.268 nan 8.370 nan 0.000 0.528 599 W N 2.253 123.550 121.300 -0.004 0.000 2.551 599 W HA 0.205 4.844 4.660 -0.036 0.000 0.330 599 W C -1.839 174.692 176.519 0.019 0.000 1.063 599 W CA -1.950 55.403 57.345 0.013 0.000 1.222 599 W CB 1.975 31.445 29.460 0.018 0.000 1.349 599 W HN -0.187 nan 8.180 nan 0.000 0.536 600 P HA 0.077 nan 4.420 nan 0.000 0.231 600 P C 0.066 176.835 177.300 -0.884 0.000 1.168 600 P CA 0.921 63.041 63.100 -1.634 0.000 0.779 600 P CB 1.414 32.585 31.700 -0.883 0.000 0.844 601 I N 0.026 120.301 120.570 -0.491 0.000 2.512 601 I HA 0.279 4.428 4.170 -0.035 0.000 0.287 601 I C -0.415 175.535 176.117 -0.277 0.000 1.069 601 I CA -1.534 59.492 61.300 -0.457 0.000 1.056 601 I CB 2.266 39.764 38.000 -0.836 0.000 1.229 601 I HN -0.253 nan 8.210 nan 0.000 0.429 602 M N 10.654 130.138 119.600 -0.193 0.000 2.269 602 M HA 0.322 4.781 4.480 -0.035 0.000 0.350 602 M C -2.330 173.902 176.300 -0.112 0.000 1.429 602 M CA -0.985 54.250 55.300 -0.108 0.000 1.063 602 M CB 0.573 33.134 32.600 -0.065 0.000 1.841 602 M HN 0.286 nan 8.290 nan 0.000 0.455 603 P HA 0.115 nan 4.420 nan 0.000 0.278 603 P C -0.749 176.523 177.300 -0.045 0.000 1.238 603 P CA -0.428 62.630 63.100 -0.069 0.000 0.794 603 P CB 0.743 32.411 31.700 -0.054 0.000 0.955 604 V N 2.669 122.568 119.914 -0.025 0.000 2.752 604 V HA -0.071 4.028 4.120 -0.035 0.000 0.306 604 V C 0.788 176.879 176.094 -0.004 0.000 1.099 604 V CA 1.229 63.529 62.300 0.002 0.000 1.240 604 V CB -0.430 31.407 31.823 0.023 0.000 0.887 604 V HN 0.679 nan 8.190 nan 0.000 0.499 605 D N 2.017 122.424 120.400 0.012 0.000 2.601 605 D HA 0.711 5.330 4.640 -0.035 0.000 0.230 605 D C -0.359 175.952 176.300 0.020 0.000 1.106 605 D CA -0.170 53.846 54.000 0.027 0.000 0.873 605 D CB 2.364 43.205 40.800 0.068 0.000 1.515 605 D HN 0.760 nan 8.370 nan 0.000 0.468 606 T N -1.221 113.340 114.554 0.013 0.000 2.901 606 T HA 0.818 5.147 4.350 -0.035 0.000 0.293 606 T C -0.584 174.123 174.700 0.012 0.000 1.084 606 T CA -0.645 61.432 62.100 -0.037 0.000 1.008 606 T CB 1.209 70.030 68.868 -0.079 0.000 1.170 606 T HN 0.265 nan 8.240 nan 0.000 0.509 607 V N -1.453 118.426 119.914 -0.059 0.000 3.206 607 V HA 1.040 5.139 4.120 -0.035 0.000 0.305 607 V C 0.407 176.390 176.094 -0.185 0.000 1.257 607 V CA -0.282 62.034 62.300 0.026 0.000 1.057 607 V CB 1.217 33.109 31.823 0.114 0.000 1.075 607 V HN 1.617 nan 8.190 nan 0.000 0.443 608 G N 0.144 108.639 108.800 -0.508 0.000 2.364 608 G HA2 0.804 4.743 3.960 -0.035 0.000 0.286 608 G HA3 0.804 4.743 3.960 -0.035 0.000 0.286 608 G C -1.627 172.632 174.900 -1.067 0.000 1.241 608 G CA 0.241 44.845 45.100 -0.827 0.000 0.887 608 G HN 2.026 nan 8.290 nan 0.000 0.484 609 F N -1.309 118.236 119.950 -0.674 0.000 2.978 609 F HA 0.854 5.359 4.527 -0.035 0.000 0.324 609 F C -1.189 174.576 175.800 -0.057 0.000 1.157 609 F CA -0.742 57.078 58.000 -0.301 0.000 0.879 609 F CB 1.384 40.211 39.000 -0.289 0.000 1.364 609 F HN 0.921 nan 8.300 nan 0.000 0.465 610 K N 0.662 121.189 120.400 0.211 0.000 2.642 610 K HA 0.764 5.064 4.320 -0.035 0.000 0.290 610 K C -2.623 174.208 176.600 0.384 0.000 1.006 610 K CA -1.036 55.361 56.287 0.182 0.000 0.869 610 K CB 2.283 34.865 32.500 0.138 0.000 1.499 610 K HN 0.753 nan 8.250 nan 0.000 0.403 611 L N 1.380 122.832 121.223 0.382 0.000 2.385 611 L HA 0.595 4.914 4.340 -0.035 0.000 0.273 611 L C -0.672 176.472 176.870 0.456 0.000 0.990 611 L CA -0.551 54.542 54.840 0.421 0.000 0.821 611 L CB 2.122 44.441 42.059 0.433 0.000 1.279 611 L HN 0.589 nan 8.230 nan 0.000 0.412 612 R N 2.878 123.571 120.500 0.322 0.000 2.711 612 R HA 0.583 4.902 4.340 -0.035 0.000 0.284 612 R C -2.576 173.505 176.300 -0.364 0.000 0.968 612 R CA -1.921 54.244 56.100 0.109 0.000 0.924 612 R CB 1.549 31.941 30.300 0.152 0.000 1.162 612 R HN 0.306 nan 8.270 nan 0.000 0.465 613 P HA -0.045 nan 4.420 nan 0.000 0.266 613 P C -0.682 176.408 177.300 -0.350 0.000 1.195 613 P CA 0.211 62.699 63.100 -1.020 0.000 0.768 613 P CB 0.754 32.205 31.700 -0.417 0.000 0.838 614 E N 1.825 121.881 120.200 -0.241 0.000 3.132 614 E HA 0.431 4.760 4.350 -0.035 0.000 0.241 614 E C 0.500 177.094 176.600 -0.010 0.000 1.196 614 E CA -0.386 55.973 56.400 -0.068 0.000 0.869 614 E CB -0.663 29.014 29.700 -0.038 0.000 1.387 614 E HN 0.666 nan 8.360 nan 0.000 0.393 615 G N 2.811 111.616 108.800 0.008 0.000 2.160 615 G HA2 -0.345 3.594 3.960 -0.035 0.000 0.244 615 G HA3 -0.345 3.594 3.960 -0.035 0.000 0.244 615 G C 0.381 175.278 174.900 -0.005 0.000 1.022 615 G CA 0.303 45.410 45.100 0.011 0.000 0.741 615 G HN 0.498 nan 8.290 nan 0.000 0.508 616 F N 0.163 119.988 119.950 -0.209 0.000 2.179 616 F HA 0.494 5.000 4.527 -0.035 0.000 0.292 616 F C 1.433 176.956 175.800 -0.462 0.000 1.089 616 F CA 0.493 58.267 58.000 -0.377 0.000 1.295 616 F CB 0.017 38.667 39.000 -0.584 0.000 1.041 616 F HN 0.122 nan 8.300 nan 0.000 0.487 617 F N 0.579 120.524 119.950 -0.009 0.000 2.375 617 F HA 0.205 4.710 4.527 -0.035 0.000 0.317 617 F C 1.470 177.222 175.800 -0.080 0.000 1.124 617 F CA -0.625 57.326 58.000 -0.081 0.000 1.050 617 F CB 0.188 39.156 39.000 -0.053 0.000 1.314 617 F HN -0.224 nan 8.300 nan 0.000 0.511 618 D N -0.265 120.219 120.400 0.140 0.000 2.350 618 D HA 0.077 4.696 4.640 -0.035 0.000 0.213 618 D C 0.383 176.712 176.300 0.048 0.000 1.031 618 D CA 0.546 54.577 54.000 0.052 0.000 0.861 618 D CB 0.330 41.145 40.800 0.024 0.000 0.926 618 D HN 0.504 nan 8.370 nan 0.000 0.520 619 R N -1.815 118.727 120.500 0.071 0.000 2.888 619 R HA 0.203 4.522 4.340 -0.035 0.000 0.277 619 R C -0.795 175.500 176.300 -0.008 0.000 0.981 619 R CA -0.735 55.378 56.100 0.022 0.000 0.841 619 R CB 0.373 30.672 30.300 -0.002 0.000 1.405 619 R HN -0.166 nan 8.270 nan 0.000 0.472 620 S N 1.225 116.895 115.700 -0.050 0.000 2.575 620 S HA 0.090 4.539 4.470 -0.035 0.000 0.295 620 S C -1.218 173.264 174.600 -0.196 0.000 1.267 620 S CA -0.805 57.329 58.200 -0.110 0.000 1.074 620 S CB 0.451 63.610 63.200 -0.069 0.000 0.829 620 S HN 0.499 nan 8.310 nan 0.000 0.497 621 P HA 0.076 nan 4.420 nan 0.000 0.249 621 P C 0.535 177.701 177.300 -0.222 0.000 1.229 621 P CA 0.304 63.080 63.100 -0.540 0.000 0.788 621 P CB -0.207 30.621 31.700 -1.453 0.000 1.072 622 V N -4.087 115.749 119.914 -0.130 0.000 3.006 622 V HA 0.240 4.339 4.120 -0.035 0.000 0.357 622 V C 1.587 177.691 176.094 0.018 0.000 1.377 622 V CA -0.136 62.146 62.300 -0.030 0.000 1.198 622 V CB -0.732 31.097 31.823 0.010 0.000 1.216 622 V HN -0.120 nan 8.190 nan 0.000 0.520 623 L N 1.143 122.368 121.223 0.002 0.000 2.313 623 L HA 0.025 4.344 4.340 -0.035 0.000 0.214 623 L C 2.145 179.046 176.870 0.052 0.000 1.119 623 L CA 1.443 56.305 54.840 0.038 0.000 0.809 623 L CB -0.232 41.829 42.059 0.003 0.000 0.933 623 L HN 0.554 nan 8.230 nan 0.000 0.449 624 D N 0.280 120.693 120.400 0.022 0.000 2.340 624 D HA -0.027 4.592 4.640 -0.035 0.000 0.220 624 D C 0.739 177.045 176.300 0.011 0.000 1.039 624 D CA 0.031 54.041 54.000 0.016 0.000 0.866 624 D CB -0.592 40.206 40.800 -0.002 0.000 0.913 624 D HN 0.157 nan 8.370 nan 0.000 0.523 625 V N -0.826 119.100 119.914 0.019 0.000 2.572 625 V HA 0.339 4.438 4.120 -0.035 0.000 0.291 625 V C -2.007 174.088 176.094 0.002 0.000 1.039 625 V CA -1.499 60.802 62.300 0.001 0.000 1.055 625 V CB 0.502 32.328 31.823 0.005 0.000 0.969 625 V HN -0.090 nan 8.190 nan 0.000 0.482 626 P HA 0.278 nan 4.420 nan 0.000 0.274 626 P C 0.694 177.967 177.300 -0.046 0.000 1.260 626 P CA 0.194 63.284 63.100 -0.016 0.000 0.793 626 P CB 1.239 32.931 31.700 -0.014 0.000 1.048 627 A N 0.531 123.320 122.820 -0.051 0.000 1.855 627 A HA -0.081 4.218 4.320 -0.035 0.000 0.215 627 A C 0.693 178.241 177.584 -0.061 0.000 1.191 627 A CA 1.450 53.437 52.037 -0.083 0.000 0.613 627 A CB -1.088 17.875 19.000 -0.062 0.000 0.829 627 A HN 0.753 nan 8.150 nan 0.000 0.442 628 N N 0.000 118.680 118.700 -0.034 0.000 1.763 628 N HA 0.000 4.719 4.740 -0.035 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.019 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