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 1iqy_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 0.000 177.586 177.584 0.003 0.000 1.274 9 A CA 0.000 52.040 52.037 0.005 0.000 0.836 9 A CB 0.000 19.003 19.000 0.004 0.000 0.831 10 S N 2.472 118.183 115.700 0.018 0.000 2.533 10 S HA 0.372 4.817 4.470 -0.042 0.000 0.282 10 S C -1.201 173.397 174.600 -0.004 0.000 1.304 10 S CA -0.370 57.854 58.200 0.040 0.000 1.063 10 S CB 0.873 64.129 63.200 0.093 0.000 0.881 10 S HN 0.344 nan 8.310 nan 0.000 0.493 11 P HA 0.076 nan 4.420 nan 0.000 0.242 11 P C 0.199 177.200 177.300 -0.498 0.000 1.197 11 P CA 0.558 63.493 63.100 -0.275 0.000 0.765 11 P CB -0.098 31.389 31.700 -0.355 0.000 0.936 12 F N 0.303 120.186 119.950 -0.112 0.000 2.678 12 F HA 0.210 4.711 4.527 -0.042 0.000 0.305 12 F C 1.600 177.339 175.800 -0.102 0.000 1.090 12 F CA -0.686 57.204 58.000 -0.184 0.000 1.272 12 F CB -0.028 38.860 39.000 -0.188 0.000 1.060 12 F HN -0.176 nan 8.300 nan 0.000 0.576 13 R N 1.193 121.734 120.500 0.069 0.000 2.811 13 R HA 0.142 4.457 4.340 -0.042 0.000 0.265 13 R C -0.179 176.147 176.300 0.043 0.000 1.026 13 R CA -0.283 55.859 56.100 0.070 0.000 1.142 13 R CB 0.309 30.639 30.300 0.051 0.000 1.027 13 R HN 0.148 nan 8.270 nan 0.000 0.465 14 L N 1.536 122.797 121.223 0.063 0.000 2.461 14 L HA 0.174 4.489 4.340 -0.042 0.000 0.272 14 L C 0.748 177.652 176.870 0.057 0.000 1.197 14 L CA -0.298 54.579 54.840 0.062 0.000 0.836 14 L CB 0.683 42.781 42.059 0.065 0.000 1.105 14 L HN 0.864 nan 8.230 nan 0.000 0.477 15 A N 2.649 125.511 122.820 0.070 0.000 2.540 15 A HA 0.206 4.501 4.320 -0.042 0.000 0.239 15 A C 0.328 177.983 177.584 0.119 0.000 1.061 15 A CA 0.118 52.243 52.037 0.147 0.000 0.758 15 A CB 0.346 19.485 19.000 0.232 0.000 0.991 15 A HN 0.674 nan 8.150 nan 0.000 0.502 16 S N 1.355 117.127 115.700 0.120 0.000 2.632 16 S HA 0.508 4.953 4.470 -0.042 0.000 0.271 16 S C 1.415 176.036 174.600 0.035 0.000 1.260 16 S CA -0.037 58.200 58.200 0.061 0.000 1.010 16 S CB 1.098 64.326 63.200 0.047 0.000 0.965 16 S HN 1.423 nan 8.310 nan 0.000 0.534 17 A N 3.416 126.243 122.820 0.012 0.000 1.902 17 A HA 0.087 4.382 4.320 -0.042 0.000 0.217 17 A C 2.149 179.717 177.584 -0.027 0.000 1.181 17 A CA 1.975 54.008 52.037 -0.007 0.000 0.623 17 A CB -1.701 17.295 19.000 -0.007 0.000 0.818 17 A HN 1.079 nan 8.150 nan 0.000 0.443 18 G N -0.470 108.318 108.800 -0.021 0.000 2.440 18 G HA2 -0.249 3.685 3.960 -0.042 0.000 0.218 18 G HA3 -0.249 3.685 3.960 -0.042 0.000 0.218 18 G C 1.422 176.280 174.900 -0.071 0.000 1.154 18 G CA 1.064 46.143 45.100 -0.035 0.000 0.767 18 G HN 0.673 nan 8.290 nan 0.000 0.552 19 E N -0.188 119.971 120.200 -0.068 0.000 2.150 19 E HA -0.051 4.274 4.350 -0.042 0.000 0.193 19 E C 2.502 178.877 176.600 -0.376 0.000 0.985 19 E CA 0.340 56.637 56.400 -0.173 0.000 0.814 19 E CB -0.020 29.671 29.700 -0.015 0.000 0.752 19 E HN 0.342 nan 8.360 nan 0.000 0.466 20 I N 0.952 121.378 120.570 -0.241 0.000 2.202 20 I HA -0.191 3.954 4.170 -0.042 0.000 0.242 20 I C 2.298 178.300 176.117 -0.192 0.000 1.091 20 I CA 1.064 62.218 61.300 -0.243 0.000 1.368 20 I CB -1.179 36.761 38.000 -0.100 0.000 1.058 20 I HN -0.010 nan 8.210 nan 0.000 0.410 21 S N 0.710 116.335 115.700 -0.125 0.000 2.353 21 S HA -0.260 4.185 4.470 -0.042 0.000 0.222 21 S C 1.924 176.458 174.600 -0.109 0.000 1.035 21 S CA 1.796 59.943 58.200 -0.089 0.000 1.025 21 S CB -0.360 62.804 63.200 -0.060 0.000 0.902 21 S HN 0.443 nan 8.310 nan 0.000 0.440 22 E N 1.152 121.271 120.200 -0.134 0.000 2.118 22 E HA -0.133 4.192 4.350 -0.042 0.000 0.195 22 E C 1.786 178.290 176.600 -0.159 0.000 0.992 22 E CA 1.142 57.464 56.400 -0.131 0.000 0.804 22 E CB -0.304 29.318 29.700 -0.130 0.000 0.741 22 E HN 0.290 nan 8.360 nan 0.000 0.458 23 V N 0.716 120.480 119.914 -0.250 0.000 2.427 23 V HA -0.258 3.837 4.120 -0.042 0.000 0.248 23 V C 2.551 178.567 176.094 -0.129 0.000 1.051 23 V CA 2.144 64.298 62.300 -0.243 0.000 1.048 23 V CB -0.643 30.945 31.823 -0.391 0.000 0.666 23 V HN 0.411 nan 8.190 nan 0.000 0.456 24 Q N 0.203 119.937 119.800 -0.110 0.000 1.993 24 Q HA -0.175 4.140 4.340 -0.042 0.000 0.202 24 Q C 2.291 178.267 176.000 -0.039 0.000 0.984 24 Q CA 2.218 57.989 55.803 -0.053 0.000 0.837 24 Q CB -0.584 28.132 28.738 -0.037 0.000 0.902 24 Q HN 0.622 nan 8.270 nan 0.000 0.423 25 G N 1.407 110.179 108.800 -0.048 0.000 2.514 25 G HA2 -0.301 3.634 3.960 -0.042 0.000 0.217 25 G HA3 -0.301 3.634 3.960 -0.042 0.000 0.217 25 G C 1.433 176.314 174.900 -0.032 0.000 1.198 25 G CA 1.316 46.394 45.100 -0.036 0.000 0.780 25 G HN 0.430 nan 8.290 nan 0.000 0.565 26 I N 0.466 121.011 120.570 -0.042 0.000 2.185 26 I HA -0.230 3.915 4.170 -0.042 0.000 0.246 26 I C 2.775 178.882 176.117 -0.018 0.000 1.088 26 I CA 0.865 62.146 61.300 -0.031 0.000 1.347 26 I CB -0.254 37.721 38.000 -0.041 0.000 1.041 26 I HN 0.161 nan 8.210 nan 0.000 0.415 27 L N -0.155 121.057 121.223 -0.018 0.000 2.044 27 L HA -0.162 4.153 4.340 -0.042 0.000 0.205 27 L C 2.804 179.676 176.870 0.003 0.000 1.075 27 L CA 1.244 56.083 54.840 -0.001 0.000 0.747 27 L CB -0.527 41.535 42.059 0.005 0.000 0.903 27 L HN 0.134 nan 8.230 nan 0.000 0.435 28 R N -0.437 120.062 120.500 -0.002 0.000 2.103 28 R HA -0.179 4.136 4.340 -0.042 0.000 0.234 28 R C 2.278 178.576 176.300 -0.004 0.000 1.132 28 R CA 2.246 58.346 56.100 -0.001 0.000 0.925 28 R CB -0.953 29.343 30.300 -0.007 0.000 0.842 28 R HN 0.306 nan 8.270 nan 0.000 0.430 29 T N 0.897 115.446 114.554 -0.008 0.000 2.620 29 T HA -0.244 4.081 4.350 -0.042 0.000 0.267 29 T C 1.728 176.425 174.700 -0.005 0.000 1.044 29 T CA 1.810 63.905 62.100 -0.008 0.000 1.161 29 T CB -0.346 68.516 68.868 -0.011 0.000 0.862 29 T HN 0.463 nan 8.240 nan 0.000 0.438 30 A N 0.161 122.980 122.820 -0.002 0.000 2.252 30 A HA 0.468 4.763 4.320 -0.042 0.000 0.207 30 A C 2.001 179.587 177.584 0.003 0.000 1.194 30 A CA 1.046 53.084 52.037 0.001 0.000 0.809 30 A CB -1.020 17.983 19.000 0.005 0.000 0.814 30 A HN 0.882 nan 8.150 nan 0.000 0.482 31 G N -1.173 107.628 108.800 0.001 0.000 2.184 31 G HA2 -0.305 3.630 3.960 -0.042 0.000 0.264 31 G HA3 -0.305 3.630 3.960 -0.042 0.000 0.264 31 G C 0.829 175.733 174.900 0.006 0.000 0.975 31 G CA 0.561 45.662 45.100 0.001 0.000 0.642 31 G HN 0.489 nan 8.290 nan 0.000 0.536 32 L N -1.206 120.023 121.223 0.011 0.000 2.291 32 L HA 0.291 4.606 4.340 -0.042 0.000 0.214 32 L C 1.158 178.043 176.870 0.025 0.000 1.120 32 L CA 0.485 55.337 54.840 0.020 0.000 0.799 32 L CB -0.078 41.997 42.059 0.027 0.000 0.925 32 L HN 0.255 nan 8.230 nan 0.000 0.446 33 L N -0.374 120.862 121.223 0.022 0.000 2.322 33 L HA 0.685 4.999 4.340 -0.042 0.000 0.281 33 L C 0.199 177.082 176.870 0.021 0.000 1.014 33 L CA 0.078 54.937 54.840 0.032 0.000 0.815 33 L CB 1.469 43.548 42.059 0.033 0.000 1.247 33 L HN -0.048 nan 8.230 nan 0.000 0.421 34 G N 3.486 112.303 108.800 0.028 0.000 3.000 34 G HA2 0.389 4.323 3.960 -0.042 0.000 0.170 34 G HA3 0.389 4.323 3.960 -0.042 0.000 0.170 34 G C -2.271 172.636 174.900 0.011 0.000 1.160 34 G CA 0.203 45.309 45.100 0.010 0.000 0.945 34 G HN 0.418 nan 8.290 nan 0.000 0.593 35 P HA 0.188 nan 4.420 nan 0.000 0.216 35 P C 0.454 177.769 177.300 0.025 0.000 1.154 35 P CA 0.893 63.989 63.100 -0.007 0.000 0.857 35 P CB 0.527 32.215 31.700 -0.019 0.000 0.787 36 E N 0.353 120.561 120.200 0.014 0.000 2.437 36 E HA 0.134 4.459 4.350 -0.042 0.000 0.195 36 E C 0.014 176.610 176.600 -0.006 0.000 1.029 36 E CA 0.067 56.471 56.400 0.006 0.000 0.948 36 E CB 0.369 30.050 29.700 -0.031 0.000 1.082 36 E HN 0.263 nan 8.360 nan 0.000 0.456 37 K N 1.647 122.073 120.400 0.043 0.000 2.235 37 K HA 0.370 4.665 4.320 -0.042 0.000 0.266 37 K C 0.159 176.832 176.600 0.121 0.000 0.980 37 K CA -0.602 55.714 56.287 0.048 0.000 0.849 37 K CB 1.700 34.229 32.500 0.048 0.000 1.098 37 K HN -0.141 nan 8.250 nan 0.000 0.445 38 R N 2.520 123.083 120.500 0.104 0.000 2.534 38 R HA 0.453 4.768 4.340 -0.042 0.000 0.301 38 R C 0.153 176.501 176.300 0.079 0.000 0.961 38 R CA -0.802 55.345 56.100 0.078 0.000 0.871 38 R CB 1.222 31.583 30.300 0.101 0.000 1.170 38 R HN 0.591 nan 8.270 nan 0.000 0.446 39 I N 2.816 123.393 120.570 0.011 0.000 2.329 39 I HA 0.026 4.171 4.170 -0.042 0.000 0.295 39 I C 1.412 177.549 176.117 0.032 0.000 1.109 39 I CA 0.100 61.421 61.300 0.035 0.000 1.297 39 I CB 1.152 39.145 38.000 -0.013 0.000 1.433 39 I HN 0.696 nan 8.210 nan 0.000 0.509 40 A N 6.716 129.616 122.820 0.134 0.000 2.016 40 A HA -0.073 4.222 4.320 -0.042 0.000 0.217 40 A C 0.458 178.165 177.584 0.204 0.000 1.162 40 A CA 1.131 53.257 52.037 0.149 0.000 0.662 40 A CB 0.087 19.212 19.000 0.209 0.000 0.812 40 A HN 0.673 nan 8.150 nan 0.000 0.450 41 Y N -2.100 118.234 120.300 0.057 0.000 2.480 41 Y HA 0.566 5.090 4.550 -0.042 0.000 0.329 41 Y C -1.678 174.137 175.900 -0.141 0.000 1.127 41 Y CA -1.220 56.812 58.100 -0.114 0.000 1.037 41 Y CB 1.304 39.554 38.460 -0.350 0.000 1.320 41 Y HN 0.170 nan 8.280 nan 0.000 0.446 42 L N 5.398 125.968 121.223 -1.088 0.000 2.543 42 L HA 0.936 5.251 4.340 -0.042 0.000 0.265 42 L C -1.366 175.014 176.870 -0.816 0.000 0.945 42 L CA -0.180 54.227 54.840 -0.723 0.000 0.869 42 L CB 1.934 43.834 42.059 -0.264 0.000 1.294 42 L HN 0.946 nan 8.230 nan 0.000 0.405 43 G N 3.002 111.461 108.800 -0.569 0.000 2.732 43 G HA2 0.452 4.386 3.960 -0.042 0.000 0.296 43 G HA3 0.452 4.386 3.960 -0.042 0.000 0.296 43 G C -1.650 173.077 174.900 -0.288 0.000 1.448 43 G CA -0.498 44.406 45.100 -0.327 0.000 0.911 43 G HN 0.528 nan 8.290 nan 0.000 0.528 44 V N 1.191 120.768 119.914 -0.562 0.000 2.963 44 V HA 0.465 4.560 4.120 -0.042 0.000 0.306 44 V C -0.150 175.683 176.094 -0.434 0.000 1.077 44 V CA -0.214 61.500 62.300 -0.977 0.000 1.124 44 V CB 1.068 32.286 31.823 -1.008 0.000 0.987 44 V HN 0.585 nan 8.190 nan 0.000 0.487 45 L N 4.520 125.514 121.223 -0.381 0.000 2.322 45 L HA 0.538 4.853 4.340 -0.042 0.000 0.279 45 L C 0.021 176.756 176.870 -0.225 0.000 1.036 45 L CA -0.164 54.555 54.840 -0.202 0.000 0.807 45 L CB 1.373 43.353 42.059 -0.132 0.000 1.226 45 L HN 0.661 nan 8.230 nan 0.000 0.433 46 D N 3.254 123.562 120.400 -0.153 0.000 2.341 46 D HA 0.272 4.886 4.640 -0.042 0.000 0.245 46 D C -1.977 174.202 176.300 -0.202 0.000 1.106 46 D CA -0.951 52.934 54.000 -0.192 0.000 0.905 46 D CB 0.388 41.188 40.800 0.000 0.000 1.202 46 D HN 0.301 nan 8.370 nan 0.000 0.426 47 P HA 0.054 nan 4.420 nan 0.000 0.267 47 P C -0.265 176.980 177.300 -0.091 0.000 1.201 47 P CA -0.034 62.923 63.100 -0.238 0.000 0.775 47 P CB 0.478 31.976 31.700 -0.337 0.000 0.854 48 A N 2.656 125.437 122.820 -0.065 0.000 2.412 48 A HA 0.127 4.421 4.320 -0.042 0.000 0.253 48 A C 0.804 178.367 177.584 -0.035 0.000 1.334 48 A CA -0.074 51.947 52.037 -0.026 0.000 0.929 48 A CB -0.945 18.041 19.000 -0.023 0.000 0.983 48 A HN 0.625 nan 8.150 nan 0.000 0.508 49 R N -2.118 118.351 120.500 -0.052 0.000 3.953 49 R HA -0.180 4.135 4.340 -0.042 0.000 0.340 49 R C 0.862 177.127 176.300 -0.059 0.000 1.195 49 R CA 0.490 56.533 56.100 -0.096 0.000 0.929 49 R CB -2.043 28.112 30.300 -0.242 0.000 1.402 49 R HN 0.723 nan 8.270 nan 0.000 0.540 50 G N -0.817 107.965 108.800 -0.031 0.000 2.621 50 G HA2 0.569 4.503 3.960 -0.042 0.000 0.271 50 G HA3 0.569 4.503 3.960 -0.042 0.000 0.271 50 G C 0.753 175.653 174.900 -0.001 0.000 1.236 50 G CA 0.005 45.094 45.100 -0.019 0.000 0.958 50 G HN 0.220 nan 8.290 nan 0.000 0.512 51 A N -0.131 122.691 122.820 0.002 0.000 3.702 51 A HA 0.485 4.780 4.320 -0.042 0.000 0.175 51 A C 2.457 180.047 177.584 0.010 0.000 1.741 51 A CA 1.308 53.352 52.037 0.012 0.000 0.912 51 A CB -1.069 17.938 19.000 0.010 0.000 1.154 51 A HN 1.234 nan 8.150 nan 0.000 0.420 52 G N -1.161 107.643 108.800 0.006 0.000 2.470 52 G HA2 0.206 4.140 3.960 -0.042 0.000 0.220 52 G HA3 0.206 4.140 3.960 -0.042 0.000 0.220 52 G C 0.803 175.701 174.900 -0.004 0.000 1.121 52 G CA 1.325 46.427 45.100 0.003 0.000 0.766 52 G HN 1.060 nan 8.290 nan 0.000 0.553 53 S N -1.067 114.629 115.700 -0.007 0.000 3.160 53 S HA -0.269 4.175 4.470 -0.042 0.000 0.634 53 S C 0.267 174.858 174.600 -0.015 0.000 2.861 53 S CA 0.938 59.129 58.200 -0.014 0.000 3.097 53 S CB -0.533 62.653 63.200 -0.024 0.000 0.331 53 S HN 0.686 nan 8.310 nan 0.000 1.767 54 E N 1.674 121.862 120.200 -0.020 0.000 1.941 54 E HA 0.450 4.775 4.350 -0.042 0.000 0.275 54 E C 1.178 177.765 176.600 -0.021 0.000 1.113 54 E CA 0.358 56.748 56.400 -0.017 0.000 0.878 54 E CB -0.162 29.528 29.700 -0.017 0.000 1.070 54 E HN 0.873 nan 8.360 nan 0.000 0.399 55 A N 4.987 127.797 122.820 -0.016 0.000 1.317 55 A HA -0.354 3.940 4.320 -0.042 0.000 0.377 55 A C 0.892 178.460 177.584 -0.027 0.000 4.993 55 A CA 2.443 54.470 52.037 -0.017 0.000 1.006 55 A CB -0.617 18.375 19.000 -0.012 0.000 0.619 55 A HN 0.695 nan 8.150 nan 0.000 0.524 56 E N -1.084 119.097 120.200 -0.031 0.000 2.428 56 E HA 0.382 4.707 4.350 -0.042 0.000 0.307 56 E C -2.219 174.358 176.600 -0.038 0.000 0.902 56 E CA -0.244 56.129 56.400 -0.045 0.000 0.799 56 E CB 0.955 30.633 29.700 -0.037 0.000 1.351 56 E HN 0.298 nan 8.360 nan 0.000 0.392 57 D N 4.130 124.498 120.400 -0.052 0.000 2.434 57 D HA 0.186 4.801 4.640 -0.042 0.000 0.275 57 D C -0.779 175.497 176.300 -0.039 0.000 1.172 57 D CA -0.486 53.495 54.000 -0.033 0.000 0.916 57 D CB 0.384 41.166 40.800 -0.029 0.000 1.041 57 D HN 0.217 nan 8.370 nan 0.000 0.501 58 R N 3.033 123.526 120.500 -0.012 0.000 2.345 58 R HA 0.231 4.546 4.340 -0.042 0.000 0.331 58 R C 0.280 176.640 176.300 0.101 0.000 1.067 58 R CA 0.015 56.121 56.100 0.010 0.000 0.962 58 R CB 0.200 30.554 30.300 0.090 0.000 0.987 58 R HN 0.330 nan 8.270 nan 0.000 0.451 59 R N 2.406 122.918 120.500 0.020 0.000 2.604 59 R HA 0.487 4.802 4.340 -0.042 0.000 0.287 59 R C -0.548 175.797 176.300 0.074 0.000 0.970 59 R CA -0.602 55.557 56.100 0.098 0.000 0.946 59 R CB 1.277 31.590 30.300 0.022 0.000 1.127 59 R HN 0.209 nan 8.270 nan 0.000 0.473 60 F N 0.521 120.450 119.950 -0.034 0.000 2.551 60 F HA 0.468 4.970 4.527 -0.042 0.000 0.316 60 F C 0.332 176.120 175.800 -0.019 0.000 1.089 60 F CA -0.835 57.139 58.000 -0.044 0.000 0.915 60 F CB 1.872 40.836 39.000 -0.062 0.000 1.186 60 F HN 0.175 nan 8.300 nan 0.000 0.456 61 R N 2.071 122.656 120.500 0.142 0.000 2.445 61 R HA 0.843 5.158 4.340 -0.042 0.000 0.308 61 R C -1.912 174.444 176.300 0.093 0.000 0.961 61 R CA -0.522 55.659 56.100 0.135 0.000 0.862 61 R CB 1.590 31.973 30.300 0.139 0.000 1.144 61 R HN 0.565 nan 8.270 nan 0.000 0.447 62 V N 4.677 124.687 119.914 0.160 0.000 2.789 62 V HA 0.515 4.609 4.120 -0.042 0.000 0.311 62 V C -1.066 175.285 176.094 0.429 0.000 1.073 62 V CA -0.818 61.574 62.300 0.153 0.000 0.921 62 V CB 2.035 33.924 31.823 0.110 0.000 1.009 62 V HN 0.567 nan 8.190 nan 0.000 0.426 63 F N 4.003 124.107 119.950 0.257 0.000 2.426 63 F HA 0.644 5.146 4.527 -0.043 0.000 0.348 63 F C 0.053 175.951 175.800 0.163 0.000 1.124 63 F CA -1.692 56.462 58.000 0.257 0.000 1.008 63 F CB 1.404 40.608 39.000 0.340 0.000 1.139 63 F HN 0.209 nan 8.300 nan 0.000 0.452 64 I N 3.884 124.631 120.570 0.296 0.000 2.389 64 I HA 0.218 4.363 4.170 -0.042 0.000 0.288 64 I C -0.412 175.802 176.117 0.161 0.000 0.999 64 I CA -0.765 60.648 61.300 0.188 0.000 1.129 64 I CB 1.623 39.699 38.000 0.126 0.000 1.288 64 I HN 0.509 nan 8.210 nan 0.000 0.444 65 H N 5.852 124.954 119.070 0.053 0.000 2.482 65 H HA 0.312 4.843 4.556 -0.042 0.000 0.344 65 H C -1.094 174.243 175.328 0.014 0.000 1.151 65 H CA -0.348 55.709 56.048 0.016 0.000 1.300 65 H CB 1.430 31.200 29.762 0.014 0.000 1.494 65 H HN 0.543 nan 8.280 nan 0.000 0.542 66 D N 4.481 124.475 120.400 -0.677 0.000 2.440 66 D HA 0.111 4.726 4.640 -0.042 0.000 0.239 66 D C 0.718 176.582 176.300 -0.726 0.000 1.084 66 D CA -0.444 53.252 54.000 -0.507 0.000 0.843 66 D CB 1.526 42.183 40.800 -0.238 0.000 1.097 66 D HN 0.454 nan 8.370 nan 0.000 0.531 67 V N 3.336 122.980 119.914 -0.450 0.000 2.469 67 V HA -0.234 3.861 4.120 -0.042 0.000 0.251 67 V C 2.371 178.402 176.094 -0.105 0.000 1.064 67 V CA 1.607 63.792 62.300 -0.192 0.000 1.066 67 V CB -0.457 31.356 31.823 -0.017 0.000 0.667 67 V HN 0.527 nan 8.190 nan 0.000 0.461 68 S N -0.201 115.436 115.700 -0.105 0.000 2.382 68 S HA 0.035 4.480 4.470 -0.042 0.000 0.228 68 S C 1.733 176.299 174.600 -0.057 0.000 1.027 68 S CA 1.482 59.645 58.200 -0.061 0.000 0.991 68 S CB -0.030 63.137 63.200 -0.054 0.000 0.823 68 S HN 0.925 nan 8.310 nan 0.000 0.469 69 G N 0.150 108.897 108.800 -0.088 0.000 2.425 69 G HA2 0.093 4.028 3.960 -0.042 0.000 0.177 69 G HA3 0.093 4.028 3.960 -0.042 0.000 0.177 69 G C 0.109 174.970 174.900 -0.065 0.000 0.999 69 G CA -0.197 44.869 45.100 -0.058 0.000 0.723 69 G HN 0.755 nan 8.290 nan 0.000 0.491 70 A N 0.603 123.374 122.820 -0.083 0.000 2.448 70 A HA 0.655 4.950 4.320 -0.042 0.000 0.239 70 A C 0.835 178.372 177.584 -0.079 0.000 1.080 70 A CA 0.156 52.151 52.037 -0.071 0.000 0.779 70 A CB 0.170 19.130 19.000 -0.067 0.000 1.026 70 A HN 0.482 nan 8.150 nan 0.000 0.499 71 R N 1.342 121.804 120.500 -0.064 0.000 2.585 71 R HA 0.159 4.474 4.340 -0.042 0.000 0.275 71 R C -2.082 174.177 176.300 -0.069 0.000 1.018 71 R CA -0.727 55.332 56.100 -0.068 0.000 1.072 71 R CB 0.133 30.395 30.300 -0.064 0.000 0.953 71 R HN 0.596 nan 8.270 nan 0.000 0.419 72 P HA 0.081 nan 4.420 nan 0.000 0.276 72 P C -1.203 176.055 177.300 -0.070 0.000 1.252 72 P CA -0.336 62.729 63.100 -0.058 0.000 0.802 72 P CB 1.017 32.678 31.700 -0.065 0.000 1.035 73 Q N -0.402 119.388 119.800 -0.017 0.000 2.389 73 Q HA 0.337 4.652 4.340 -0.042 0.000 0.277 73 Q C -0.816 175.242 176.000 0.095 0.000 1.082 73 Q CA -0.675 55.135 55.803 0.012 0.000 0.810 73 Q CB 2.670 31.428 28.738 0.034 0.000 1.374 73 Q HN 0.453 nan 8.270 nan 0.000 0.422 74 E N 2.035 122.307 120.200 0.120 0.000 2.109 74 E HA 0.454 4.778 4.350 -0.042 0.000 0.278 74 E C -1.485 175.248 176.600 0.222 0.000 0.954 74 E CA -0.467 56.102 56.400 0.282 0.000 0.779 74 E CB 1.189 31.076 29.700 0.312 0.000 1.093 74 E HN 0.287 nan 8.360 nan 0.000 0.401 75 V N 3.669 123.728 119.914 0.243 0.000 2.709 75 V HA 0.349 4.444 4.120 -0.042 0.000 0.308 75 V C -0.406 175.783 176.094 0.159 0.000 1.062 75 V CA -0.747 61.650 62.300 0.162 0.000 0.901 75 V CB 2.337 34.233 31.823 0.121 0.000 1.003 75 V HN 0.715 nan 8.190 nan 0.000 0.425 76 T N 3.858 118.486 114.554 0.122 0.000 2.770 76 T HA 0.600 4.924 4.350 -0.042 0.000 0.283 76 T C -0.342 174.412 174.700 0.090 0.000 0.988 76 T CA -0.300 61.868 62.100 0.112 0.000 0.957 76 T CB 1.512 70.436 68.868 0.094 0.000 0.930 76 T HN 0.337 nan 8.240 nan 0.000 0.443 77 V N 2.565 122.541 119.914 0.102 0.000 2.713 77 V HA 0.686 4.781 4.120 -0.042 0.000 0.307 77 V C 0.226 176.377 176.094 0.096 0.000 1.052 77 V CA -0.697 61.648 62.300 0.074 0.000 0.967 77 V CB 2.090 33.936 31.823 0.038 0.000 1.019 77 V HN 0.867 nan 8.190 nan 0.000 0.459 78 S N 2.193 117.930 115.700 0.060 0.000 2.566 78 S HA 0.359 4.803 4.470 -0.042 0.000 0.324 78 S C 0.417 175.041 174.600 0.040 0.000 1.081 78 S CA -0.573 57.665 58.200 0.064 0.000 1.105 78 S CB 1.434 64.655 63.200 0.036 0.000 0.981 78 S HN 0.409 nan 8.310 nan 0.000 0.464 79 V N 4.925 124.877 119.914 0.063 0.000 2.591 79 V HA -0.050 4.045 4.120 -0.042 0.000 0.249 79 V C 2.520 178.619 176.094 0.008 0.000 1.053 79 V CA 2.026 64.326 62.300 0.001 0.000 1.068 79 V CB -0.831 30.978 31.823 -0.024 0.000 0.689 79 V HN 0.879 nan 8.190 nan 0.000 0.462 80 T N 0.919 115.491 114.554 0.030 0.000 2.788 80 T HA -0.135 4.190 4.350 -0.042 0.000 0.268 80 T C 1.671 176.374 174.700 0.004 0.000 1.044 80 T CA 1.703 63.812 62.100 0.015 0.000 1.139 80 T CB -0.241 68.634 68.868 0.013 0.000 0.867 80 T HN 0.451 nan 8.240 nan 0.000 0.454 81 N N -0.012 118.691 118.700 0.006 0.000 2.388 81 N HA 0.178 4.893 4.740 -0.042 0.000 0.176 81 N C 1.367 176.875 175.510 -0.003 0.000 1.062 81 N CA 0.770 53.821 53.050 0.001 0.000 0.895 81 N CB 0.092 38.581 38.487 0.004 0.000 1.018 81 N HN 0.473 nan 8.380 nan 0.000 0.456 82 G N 0.943 109.739 108.800 -0.006 0.000 2.182 82 G HA2 -0.262 3.673 3.960 -0.042 0.000 0.248 82 G HA3 -0.262 3.673 3.960 -0.042 0.000 0.248 82 G C 0.095 174.990 174.900 -0.009 0.000 1.042 82 G CA 0.864 45.955 45.100 -0.015 0.000 0.775 82 G HN 0.517 nan 8.290 nan 0.000 0.501 83 T N -3.201 111.353 114.554 -0.001 0.000 2.940 83 T HA 0.730 5.055 4.350 -0.042 0.000 0.288 83 T C -0.216 174.491 174.700 0.011 0.000 1.045 83 T CA -0.713 61.389 62.100 0.004 0.000 1.018 83 T CB 2.884 71.756 68.868 0.007 0.000 1.151 83 T HN 0.704 nan 8.240 nan 0.000 0.529 84 V N 2.085 122.007 119.914 0.013 0.000 2.333 84 V HA 0.307 4.401 4.120 -0.042 0.000 0.274 84 V C 0.973 177.083 176.094 0.026 0.000 1.028 84 V CA -0.511 61.802 62.300 0.022 0.000 0.851 84 V CB 0.489 32.324 31.823 0.020 0.000 1.000 84 V HN 0.867 nan 8.190 nan 0.000 0.456 85 I N 3.136 123.727 120.570 0.034 0.000 2.480 85 I HA 0.018 4.162 4.170 -0.042 0.000 0.251 85 I C 0.971 177.109 176.117 0.035 0.000 1.124 85 I CA 0.866 62.185 61.300 0.032 0.000 1.444 85 I CB 0.258 38.278 38.000 0.034 0.000 1.098 85 I HN 0.745 nan 8.210 nan 0.000 0.428 86 S N -0.034 115.693 115.700 0.046 0.000 2.570 86 S HA 0.813 5.258 4.470 -0.042 0.000 0.270 86 S C -0.773 173.863 174.600 0.059 0.000 1.149 86 S CA -0.476 57.753 58.200 0.049 0.000 0.837 86 S CB 2.456 65.689 63.200 0.055 0.000 1.124 86 S HN 0.130 nan 8.310 nan 0.000 0.465 87 A N 1.436 124.287 122.820 0.052 0.000 2.969 87 A HA 0.593 4.888 4.320 -0.042 0.000 0.303 87 A C -0.803 176.806 177.584 0.043 0.000 1.198 87 A CA -0.525 51.545 52.037 0.054 0.000 0.819 87 A CB 0.126 19.151 19.000 0.041 0.000 1.385 87 A HN 1.054 nan 8.150 nan 0.000 0.479 88 V N 1.044 120.989 119.914 0.051 0.000 2.644 88 V HA 0.362 4.457 4.120 -0.042 0.000 0.295 88 V C 0.498 176.598 176.094 0.010 0.000 1.053 88 V CA -0.560 61.759 62.300 0.031 0.000 0.987 88 V CB 1.594 33.442 31.823 0.042 0.000 1.006 88 V HN 0.767 nan 8.190 nan 0.000 0.472 89 E N 2.792 122.985 120.200 -0.012 0.000 2.249 89 E HA 0.486 4.811 4.350 -0.042 0.000 0.280 89 E C -1.211 175.347 176.600 -0.070 0.000 1.016 89 E CA -0.459 55.918 56.400 -0.038 0.000 0.830 89 E CB 1.625 31.304 29.700 -0.035 0.000 1.081 89 E HN 0.459 nan 8.360 nan 0.000 0.395 90 L N 2.478 123.627 121.223 -0.124 0.000 2.295 90 L HA 0.262 4.576 4.340 -0.042 0.000 0.285 90 L C 0.162 176.924 176.870 -0.180 0.000 1.035 90 L CA -0.721 54.000 54.840 -0.198 0.000 0.806 90 L CB 1.039 42.863 42.059 -0.392 0.000 1.214 90 L HN 0.384 nan 8.230 nan 0.000 0.426 91 D N 1.672 121.979 120.400 -0.155 0.000 2.479 91 D HA 0.042 4.657 4.640 -0.042 0.000 0.218 91 D C 1.374 177.575 176.300 -0.166 0.000 1.131 91 D CA -0.228 53.695 54.000 -0.129 0.000 0.916 91 D CB 1.179 41.925 40.800 -0.090 0.000 1.022 91 D HN 0.705 nan 8.370 nan 0.000 0.515 92 T N 0.832 115.270 114.554 -0.193 0.000 2.778 92 T HA -0.215 4.109 4.350 -0.042 0.000 0.269 92 T C 1.856 176.458 174.700 -0.164 0.000 1.050 92 T CA 1.181 63.153 62.100 -0.213 0.000 1.137 92 T CB -0.167 68.585 68.868 -0.193 0.000 0.860 92 T HN 0.259 nan 8.240 nan 0.000 0.468 93 A N 1.311 124.052 122.820 -0.132 0.000 2.019 93 A HA 0.399 4.694 4.320 -0.042 0.000 0.219 93 A C 2.665 180.158 177.584 -0.150 0.000 1.164 93 A CA 1.716 53.679 52.037 -0.124 0.000 0.644 93 A CB -1.078 17.867 19.000 -0.092 0.000 0.805 93 A HN 0.799 nan 8.150 nan 0.000 0.449 94 A N -0.771 121.966 122.820 -0.138 0.000 1.881 94 A HA 0.105 4.400 4.320 -0.042 0.000 0.210 94 A C 2.187 179.685 177.584 -0.144 0.000 1.239 94 A CA 1.785 53.744 52.037 -0.131 0.000 0.629 94 A CB -0.888 18.062 19.000 -0.082 0.000 0.906 94 A HN 0.675 nan 8.150 nan 0.000 0.460 95 T N -2.839 111.661 114.554 -0.090 0.000 3.107 95 T HA 0.461 4.786 4.350 -0.042 0.000 0.249 95 T C 0.906 175.699 174.700 0.155 0.000 1.096 95 T CA 0.816 62.947 62.100 0.053 0.000 1.012 95 T CB -0.459 68.440 68.868 0.051 0.000 0.977 95 T HN 1.928 nan 8.240 nan 0.000 0.527 96 G N 1.207 109.978 108.800 -0.048 0.000 2.690 96 G HA2 -0.040 3.894 3.960 -0.042 0.000 0.686 96 G HA3 -0.040 3.894 3.960 -0.042 0.000 0.686 96 G C -0.857 173.970 174.900 -0.121 0.000 1.277 96 G CA -1.026 44.076 45.100 0.003 0.000 0.799 96 G HN 0.312 nan 8.290 nan 0.000 0.613 97 E N -0.530 119.616 120.200 -0.090 0.000 2.369 97 E HA 0.530 4.855 4.350 -0.042 0.000 0.255 97 E C 0.764 177.308 176.600 -0.093 0.000 1.172 97 E CA -0.534 55.788 56.400 -0.131 0.000 0.932 97 E CB 0.823 30.468 29.700 -0.091 0.000 1.040 97 E HN 0.384 nan 8.360 nan 0.000 0.454 98 L N 1.543 122.697 121.223 -0.115 0.000 2.456 98 L HA 0.245 4.559 4.340 -0.042 0.000 0.257 98 L C -2.082 174.801 176.870 0.021 0.000 1.162 98 L CA -1.554 53.285 54.840 -0.001 0.000 0.808 98 L CB -0.441 41.605 42.059 -0.021 0.000 1.136 98 L HN 0.255 nan 8.230 nan 0.000 0.466 99 P HA 0.001 nan 4.420 nan 0.000 0.266 99 P C -0.854 176.425 177.300 -0.034 0.000 1.195 99 P CA -0.219 62.904 63.100 0.038 0.000 0.768 99 P CB 0.320 32.092 31.700 0.121 0.000 0.838 100 V N 5.017 124.879 119.914 -0.086 0.000 2.617 100 V HA -0.085 4.009 4.120 -0.042 0.000 0.304 100 V C 0.892 176.953 176.094 -0.055 0.000 1.040 100 V CA 0.442 62.701 62.300 -0.069 0.000 1.149 100 V CB -0.376 31.421 31.823 -0.044 0.000 0.914 100 V HN 0.373 nan 8.190 nan 0.000 0.487 101 L N 4.084 125.228 121.223 -0.133 0.000 2.349 101 L HA 0.241 4.555 4.340 -0.042 0.000 0.275 101 L C 1.719 178.339 176.870 -0.416 0.000 1.115 101 L CA -0.069 54.653 54.840 -0.195 0.000 0.820 101 L CB 0.808 42.765 42.059 -0.170 0.000 1.135 101 L HN 0.720 nan 8.230 nan 0.000 0.445 102 E N 2.674 122.595 120.200 -0.465 0.000 2.130 102 E HA -0.250 4.075 4.350 -0.042 0.000 0.196 102 E C 1.424 177.646 176.600 -0.629 0.000 0.998 102 E CA 2.016 57.935 56.400 -0.801 0.000 0.806 102 E CB 0.244 29.804 29.700 -0.233 0.000 0.738 102 E HN 0.808 nan 8.360 nan 0.000 0.459 103 E N -0.197 119.829 120.200 -0.290 0.000 2.515 103 E HA -0.116 4.208 4.350 -0.042 0.000 0.201 103 E C 1.233 177.801 176.600 -0.053 0.000 1.071 103 E CA 0.647 56.975 56.400 -0.120 0.000 0.880 103 E CB -0.126 29.532 29.700 -0.071 0.000 0.828 103 E HN 0.315 nan 8.360 nan 0.000 0.540 104 E N -0.288 119.859 120.200 -0.089 0.000 2.474 104 E HA 0.030 4.355 4.350 -0.042 0.000 0.195 104 E C 0.769 177.513 176.600 0.240 0.000 1.039 104 E CA -0.249 56.183 56.400 0.054 0.000 0.881 104 E CB 0.086 29.805 29.700 0.033 0.000 0.970 104 E HN 0.213 nan 8.360 nan 0.000 0.486 105 F N 1.927 121.918 119.950 0.069 0.000 2.075 105 F HA -0.135 4.367 4.527 -0.041 0.000 0.297 105 F C 2.040 177.873 175.800 0.055 0.000 1.113 105 F CA 1.273 59.318 58.000 0.074 0.000 1.218 105 F CB -0.823 38.226 39.000 0.081 0.000 0.984 105 F HN 0.002 nan 8.300 nan 0.000 0.472 106 E N 0.195 120.550 120.200 0.257 0.000 2.072 106 E HA -0.128 4.197 4.350 -0.042 0.000 0.191 106 E C 2.321 178.979 176.600 0.098 0.000 0.985 106 E CA 1.036 57.524 56.400 0.147 0.000 0.801 106 E CB -0.941 28.829 29.700 0.117 0.000 0.750 106 E HN 0.105 nan 8.360 nan 0.000 0.452 107 V N 0.957 120.928 119.914 0.095 0.000 2.313 107 V HA -0.326 3.769 4.120 -0.042 0.000 0.253 107 V C 2.225 178.330 176.094 0.018 0.000 1.070 107 V CA 1.913 64.246 62.300 0.054 0.000 1.057 107 V CB -0.744 31.112 31.823 0.056 0.000 0.653 107 V HN 0.179 nan 8.190 nan 0.000 0.450 108 V N -0.490 119.438 119.914 0.023 0.000 2.490 108 V HA -0.279 3.815 4.120 -0.042 0.000 0.250 108 V C 2.350 178.378 176.094 -0.109 0.000 1.061 108 V CA 2.273 64.546 62.300 -0.045 0.000 1.064 108 V CB -0.618 31.192 31.823 -0.021 0.000 0.670 108 V HN 0.674 nan 8.190 nan 0.000 0.461 109 E N 0.009 120.184 120.200 -0.042 0.000 2.028 109 E HA -0.229 4.096 4.350 -0.042 0.000 0.190 109 E C 2.327 178.900 176.600 -0.045 0.000 0.984 109 E CA 1.117 57.493 56.400 -0.041 0.000 0.800 109 E CB -0.054 29.665 29.700 0.032 0.000 0.758 109 E HN 0.670 nan 8.360 nan 0.000 0.448 110 Q N 0.381 120.174 119.800 -0.011 0.000 2.077 110 Q HA -0.192 4.123 4.340 -0.042 0.000 0.206 110 Q C 2.400 178.384 176.000 -0.028 0.000 0.989 110 Q CA 1.792 57.594 55.803 -0.001 0.000 0.853 110 Q CB -0.143 28.605 28.738 0.017 0.000 0.907 110 Q HN 0.353 nan 8.270 nan 0.000 0.418 111 L N 0.034 121.223 121.223 -0.056 0.000 2.056 111 L HA -0.181 4.133 4.340 -0.042 0.000 0.207 111 L C 2.279 179.074 176.870 -0.125 0.000 1.078 111 L CA 0.867 55.663 54.840 -0.074 0.000 0.749 111 L CB -0.427 41.586 42.059 -0.078 0.000 0.901 111 L HN 0.274 nan 8.230 nan 0.000 0.433 112 L N -0.158 120.916 121.223 -0.248 0.000 2.201 112 L HA -0.124 4.191 4.340 -0.042 0.000 0.212 112 L C 2.745 179.523 176.870 -0.154 0.000 1.105 112 L CA 0.760 55.327 54.840 -0.455 0.000 0.775 112 L CB -0.616 40.746 42.059 -1.162 0.000 0.913 112 L HN 0.227 nan 8.230 nan 0.000 0.440 113 A N -0.296 122.512 122.820 -0.020 0.000 2.178 113 A HA -0.155 4.140 4.320 -0.042 0.000 0.218 113 A C 2.004 179.651 177.584 0.105 0.000 1.157 113 A CA 1.930 54.039 52.037 0.120 0.000 0.689 113 A CB -0.658 18.392 19.000 0.083 0.000 0.787 113 A HN 0.521 nan 8.150 nan 0.000 0.465 114 T N -4.091 110.500 114.554 0.062 0.000 3.043 114 T HA 0.248 4.572 4.350 -0.042 0.000 0.272 114 T C -0.131 174.603 174.700 0.056 0.000 0.990 114 T CA 0.167 62.300 62.100 0.054 0.000 0.897 114 T CB -0.275 68.610 68.868 0.029 0.000 1.111 114 T HN 0.262 nan 8.240 nan 0.000 0.529 115 D N 1.488 121.933 120.400 0.074 0.000 2.317 115 D HA 0.246 4.861 4.640 -0.042 0.000 0.252 115 D C 1.101 177.474 176.300 0.122 0.000 1.174 115 D CA -0.253 53.794 54.000 0.077 0.000 0.866 115 D CB 1.124 41.959 40.800 0.058 0.000 1.127 115 D HN 0.211 nan 8.370 nan 0.000 0.467 116 E N 2.234 122.480 120.200 0.077 0.000 2.160 116 E HA -0.203 4.121 4.350 -0.042 0.000 0.195 116 E C 1.697 178.342 176.600 0.075 0.000 0.991 116 E CA 0.901 57.340 56.400 0.065 0.000 0.810 116 E CB 0.229 29.951 29.700 0.037 0.000 0.742 116 E HN 0.447 nan 8.360 nan 0.000 0.466 117 R N -0.030 120.523 120.500 0.090 0.000 2.075 117 R HA -0.107 4.208 4.340 -0.042 0.000 0.232 117 R C 2.152 178.540 176.300 0.147 0.000 1.126 117 R CA 1.295 57.448 56.100 0.089 0.000 0.963 117 R CB -0.317 30.031 30.300 0.080 0.000 0.858 117 R HN 0.384 nan 8.270 nan 0.000 0.435 118 W N 1.471 122.752 121.300 -0.032 0.000 2.354 118 W HA -0.200 4.453 4.660 -0.012 0.000 0.315 118 W C 1.575 178.081 176.519 -0.022 0.000 1.206 118 W CA 1.276 58.604 57.345 -0.028 0.000 1.290 118 W CB -0.234 29.213 29.460 -0.022 0.000 1.152 118 W HN 0.081 nan 8.180 nan 0.000 0.489 119 L N 0.811 122.120 121.223 0.144 0.000 2.081 119 L HA -0.294 4.021 4.340 -0.042 0.000 0.212 119 L C 2.589 179.428 176.870 -0.051 0.000 1.080 119 L CA 1.855 56.708 54.840 0.021 0.000 0.754 119 L CB -0.898 41.201 42.059 0.067 0.000 0.893 119 L HN -0.005 nan 8.230 nan 0.000 0.433 120 K N 0.319 120.701 120.400 -0.032 0.000 2.025 120 K HA -0.161 4.134 4.320 -0.042 0.000 0.207 120 K C 2.202 178.742 176.600 -0.099 0.000 1.049 120 K CA 1.225 57.483 56.287 -0.049 0.000 0.933 120 K CB -0.098 32.387 32.500 -0.024 0.000 0.714 120 K HN 0.235 nan 8.250 nan 0.000 0.438 121 A N 1.543 124.276 122.820 -0.145 0.000 1.908 121 A HA -0.144 4.150 4.320 -0.042 0.000 0.218 121 A C 2.131 179.554 177.584 -0.269 0.000 1.181 121 A CA 1.449 53.356 52.037 -0.216 0.000 0.627 121 A CB -0.679 18.135 19.000 -0.311 0.000 0.818 121 A HN 0.339 nan 8.150 nan 0.000 0.445 122 L N -1.048 119.972 121.223 -0.339 0.000 2.093 122 L HA -0.160 4.155 4.340 -0.042 0.000 0.208 122 L C 3.066 179.837 176.870 -0.166 0.000 1.085 122 L CA 1.007 55.670 54.840 -0.294 0.000 0.755 122 L CB -0.626 41.247 42.059 -0.310 0.000 0.904 122 L HN 0.450 nan 8.230 nan 0.000 0.435 123 A N 0.173 122.918 122.820 -0.124 0.000 1.969 123 A HA -0.092 4.203 4.320 -0.042 0.000 0.218 123 A C 2.505 180.043 177.584 -0.075 0.000 1.169 123 A CA 1.495 53.483 52.037 -0.080 0.000 0.635 123 A CB -0.522 18.444 19.000 -0.057 0.000 0.810 123 A HN 0.385 nan 8.150 nan 0.000 0.445 124 A N -0.383 122.386 122.820 -0.086 0.000 2.015 124 A HA -0.078 4.217 4.320 -0.042 0.000 0.219 124 A C 2.102 179.642 177.584 -0.074 0.000 1.163 124 A CA 1.324 53.317 52.037 -0.073 0.000 0.646 124 A CB -0.283 18.671 19.000 -0.075 0.000 0.806 124 A HN 0.533 nan 8.150 nan 0.000 0.448 125 R N -0.889 119.556 120.500 -0.091 0.000 2.362 125 R HA 0.109 4.424 4.340 -0.042 0.000 0.227 125 R C -0.280 175.976 176.300 -0.074 0.000 0.905 125 R CA 0.184 56.234 56.100 -0.083 0.000 1.067 125 R CB 0.205 30.441 30.300 -0.107 0.000 1.078 125 R HN 0.446 nan 8.270 nan 0.000 0.516 126 N N 0.825 119.483 118.700 -0.071 0.000 2.754 126 N HA -0.172 4.542 4.740 -0.042 0.000 0.248 126 N C -1.073 174.400 175.510 -0.062 0.000 1.093 126 N CA 0.903 53.919 53.050 -0.057 0.000 0.699 126 N CB -1.439 37.022 38.487 -0.044 0.000 1.016 126 N HN 0.254 nan 8.380 nan 0.000 0.552 127 L N 0.514 121.688 121.223 -0.082 0.000 2.282 127 L HA 0.291 4.605 4.340 -0.042 0.000 0.288 127 L C 0.708 177.538 176.870 -0.065 0.000 1.033 127 L CA -0.820 53.970 54.840 -0.083 0.000 0.807 127 L CB 1.189 43.177 42.059 -0.118 0.000 1.209 127 L HN -0.072 nan 8.230 nan 0.000 0.423 128 D N 2.583 122.958 120.400 -0.042 0.000 2.346 128 D HA -0.025 4.589 4.640 -0.042 0.000 0.260 128 D C 0.914 177.209 176.300 -0.008 0.000 1.252 128 D CA 0.148 54.136 54.000 -0.020 0.000 0.895 128 D CB 1.611 42.406 40.800 -0.009 0.000 1.097 128 D HN 0.286 nan 8.370 nan 0.000 0.489 129 V N 3.905 123.822 119.914 0.005 0.000 2.439 129 V HA -0.273 3.822 4.120 -0.042 0.000 0.253 129 V C 2.034 178.168 176.094 0.066 0.000 1.074 129 V CA 2.801 65.129 62.300 0.047 0.000 1.076 129 V CB -0.524 31.347 31.823 0.081 0.000 0.664 129 V HN 0.750 nan 8.190 nan 0.000 0.461 130 S N -1.704 114.023 115.700 0.045 0.000 2.603 130 S HA -0.025 4.420 4.470 -0.042 0.000 0.229 130 S C 1.579 176.201 174.600 0.038 0.000 0.972 130 S CA 0.835 59.062 58.200 0.045 0.000 0.935 130 S CB -0.258 62.964 63.200 0.036 0.000 0.769 130 S HN 0.740 nan 8.310 nan 0.000 0.536 131 K N 0.410 120.827 120.400 0.029 0.000 2.373 131 K HA 0.289 4.584 4.320 -0.042 0.000 0.200 131 K C -0.682 175.928 176.600 0.018 0.000 1.054 131 K CA -0.017 56.279 56.287 0.014 0.000 1.065 131 K CB 1.149 33.647 32.500 -0.003 0.000 0.886 131 K HN 0.210 nan 8.250 nan 0.000 0.546 132 V N 3.928 123.869 119.914 0.046 0.000 2.353 132 V HA 0.171 4.265 4.120 -0.042 0.000 0.264 132 V C 0.202 176.369 176.094 0.121 0.000 1.049 132 V CA -0.569 61.776 62.300 0.075 0.000 0.896 132 V CB 0.500 32.374 31.823 0.084 0.000 1.025 132 V HN 0.152 nan 8.190 nan 0.000 0.475 133 R N 3.464 124.018 120.500 0.090 0.000 2.490 133 R HA 0.578 4.893 4.340 -0.042 0.000 0.278 133 R C -0.717 175.680 176.300 0.162 0.000 1.069 133 R CA -0.419 55.729 56.100 0.079 0.000 1.080 133 R CB 1.668 31.955 30.300 -0.021 0.000 1.030 133 R HN 0.436 nan 8.270 nan 0.000 0.491 134 V N 1.771 121.770 119.914 0.142 0.000 2.483 134 V HA 0.397 4.492 4.120 -0.042 0.000 0.297 134 V C -0.043 176.137 176.094 0.143 0.000 1.027 134 V CA -1.164 61.246 62.300 0.184 0.000 0.855 134 V CB 1.763 33.650 31.823 0.105 0.000 0.995 134 V HN 0.855 nan 8.190 nan 0.000 0.424 135 A N 7.583 130.544 122.820 0.235 0.000 2.347 135 A HA 0.642 4.937 4.320 -0.042 0.000 0.287 135 A C -2.212 175.465 177.584 0.154 0.000 1.199 135 A CA -1.364 50.787 52.037 0.191 0.000 0.851 135 A CB 0.159 19.388 19.000 0.383 0.000 1.118 135 A HN 0.591 nan 8.150 nan 0.000 0.525 136 P HA 0.322 nan 4.420 nan 0.000 0.280 136 P C -0.912 176.436 177.300 0.080 0.000 1.386 136 P CA 0.259 63.395 63.100 0.060 0.000 0.899 136 P CB 0.350 32.087 31.700 0.061 0.000 1.098 137 L N 2.210 123.541 121.223 0.181 0.000 2.330 137 L HA 0.458 4.773 4.340 -0.042 0.000 0.271 137 L C 1.126 178.204 176.870 0.346 0.000 1.013 137 L CA -0.984 54.025 54.840 0.282 0.000 0.816 137 L CB 1.498 43.849 42.059 0.487 0.000 1.287 137 L HN 0.256 nan 8.230 nan 0.000 0.435 138 S N 0.305 116.292 115.700 0.479 0.000 2.573 138 S HA 0.309 4.754 4.470 -0.042 0.000 0.277 138 S C 0.698 175.529 174.600 0.385 0.000 1.346 138 S CA -0.065 58.346 58.200 0.352 0.000 1.034 138 S CB 1.418 64.844 63.200 0.376 0.000 0.879 138 S HN 0.743 nan 8.310 nan 0.000 0.528 139 A N 2.253 125.198 122.820 0.208 0.000 2.063 139 A HA 0.618 4.913 4.320 -0.042 0.000 0.211 139 A C 1.496 179.280 177.584 0.332 0.000 1.177 139 A CA 0.553 52.676 52.037 0.143 0.000 0.759 139 A CB -1.309 17.657 19.000 -0.057 0.000 0.857 139 A HN 2.245 nan 8.150 nan 0.000 0.468 140 G N -1.341 107.612 108.800 0.255 0.000 2.598 140 G HA2 -0.078 3.856 3.960 -0.042 0.000 0.244 140 G HA3 -0.078 3.856 3.960 -0.042 0.000 0.244 140 G C -0.345 174.547 174.900 -0.012 0.000 1.302 140 G CA -0.119 45.079 45.100 0.163 0.000 0.903 140 G HN 1.120 nan 8.290 nan 0.000 0.575 141 V N 0.882 120.592 119.914 -0.341 0.000 2.488 141 V HA 0.701 4.796 4.120 -0.042 0.000 0.293 141 V C -0.397 175.305 176.094 -0.654 0.000 1.027 141 V CA -0.364 61.742 62.300 -0.323 0.000 0.862 141 V CB 0.962 32.635 31.823 -0.251 0.000 1.008 141 V HN 0.688 nan 8.190 nan 0.000 0.428 142 F N 1.546 121.468 119.950 -0.047 0.000 2.979 142 F HA 0.425 4.928 4.527 -0.040 0.000 0.370 142 F C 1.628 177.260 175.800 -0.281 0.000 1.320 142 F CA -0.786 57.123 58.000 -0.152 0.000 1.095 142 F CB 0.510 39.412 39.000 -0.163 0.000 1.553 142 F HN 0.491 nan 8.300 nan 0.000 0.493 143 E N 0.570 120.625 120.200 -0.243 0.000 2.533 143 E HA -0.182 4.143 4.350 -0.042 0.000 0.203 143 E C -0.873 175.560 176.600 -0.278 0.000 1.101 143 E CA 0.791 57.020 56.400 -0.285 0.000 0.894 143 E CB -0.892 28.660 29.700 -0.246 0.000 0.843 143 E HN 0.500 nan 8.360 nan 0.000 0.552 144 Y N 0.878 121.233 120.300 0.091 0.000 2.691 144 Y HA 0.433 4.958 4.550 -0.041 0.000 0.338 144 Y C 1.557 177.474 175.900 0.028 0.000 1.148 144 Y CA -0.412 57.725 58.100 0.062 0.000 1.430 144 Y CB 0.459 38.952 38.460 0.055 0.000 1.303 144 Y HN 0.050 nan 8.280 nan 0.000 0.499 145 A N 2.180 125.078 122.820 0.131 0.000 1.986 145 A HA -0.221 4.073 4.320 -0.042 0.000 0.220 145 A C 2.140 179.762 177.584 0.064 0.000 1.171 145 A CA 1.849 53.927 52.037 0.068 0.000 0.640 145 A CB -0.270 18.758 19.000 0.046 0.000 0.811 145 A HN 0.724 nan 8.150 nan 0.000 0.451 146 E N 0.471 120.725 120.200 0.090 0.000 2.478 146 E HA -0.154 4.170 4.350 -0.042 0.000 0.198 146 E C 1.095 177.721 176.600 0.043 0.000 1.046 146 E CA 1.164 57.598 56.400 0.057 0.000 0.870 146 E CB -0.372 29.362 29.700 0.057 0.000 0.818 146 E HN 0.782 nan 8.360 nan 0.000 0.527 147 E N 0.835 121.072 120.200 0.061 0.000 2.318 147 E HA 0.053 4.378 4.350 -0.042 0.000 0.193 147 E C 0.209 176.810 176.600 0.001 0.000 0.998 147 E CA -0.163 56.256 56.400 0.032 0.000 0.859 147 E CB 0.125 29.861 29.700 0.059 0.000 0.812 147 E HN 0.172 nan 8.360 nan 0.000 0.492 148 R N 0.475 120.972 120.500 -0.004 0.000 2.446 148 R HA 0.120 4.435 4.340 -0.042 0.000 0.314 148 R C 0.874 177.150 176.300 -0.040 0.000 1.003 148 R CA 0.742 56.821 56.100 -0.034 0.000 1.018 148 R CB 0.233 30.510 30.300 -0.039 0.000 0.945 148 R HN 0.298 nan 8.270 nan 0.000 0.419 149 G N 2.444 111.211 108.800 -0.056 0.000 2.258 149 G HA2 -0.251 3.684 3.960 -0.042 0.000 0.233 149 G HA3 -0.251 3.684 3.960 -0.042 0.000 0.233 149 G C 0.121 174.996 174.900 -0.042 0.000 1.006 149 G CA -0.471 44.595 45.100 -0.056 0.000 0.620 149 G HN 0.469 nan 8.290 nan 0.000 0.511 150 R N 0.377 120.858 120.500 -0.031 0.000 2.457 150 R HA 0.510 4.824 4.340 -0.042 0.000 0.284 150 R C 0.172 176.456 176.300 -0.026 0.000 1.024 150 R CA -0.804 55.283 56.100 -0.021 0.000 1.025 150 R CB 1.091 31.383 30.300 -0.013 0.000 1.063 150 R HN 0.279 nan 8.270 nan 0.000 0.493 151 R N 3.265 123.755 120.500 -0.017 0.000 2.593 151 R HA 0.199 4.514 4.340 -0.042 0.000 0.282 151 R C -0.197 176.088 176.300 -0.025 0.000 1.300 151 R CA -0.297 55.786 56.100 -0.027 0.000 1.221 151 R CB 0.055 30.344 30.300 -0.018 0.000 1.157 151 R HN 0.376 nan 8.270 nan 0.000 0.555 152 I N 4.513 125.062 120.570 -0.034 0.000 2.577 152 I HA 0.319 4.464 4.170 -0.042 0.000 0.300 152 I C 0.200 176.294 176.117 -0.038 0.000 0.990 152 I CA -0.751 60.523 61.300 -0.044 0.000 1.283 152 I CB 1.332 39.288 38.000 -0.074 0.000 1.411 152 I HN 0.539 nan 8.210 nan 0.000 0.515 153 L N 5.050 126.249 121.223 -0.040 0.000 2.431 153 L HA 0.486 4.801 4.340 -0.042 0.000 0.266 153 L C -0.201 176.632 176.870 -0.061 0.000 0.978 153 L CA -0.737 54.096 54.840 -0.012 0.000 0.822 153 L CB 2.583 44.664 42.059 0.037 0.000 1.310 153 L HN 0.574 nan 8.230 nan 0.000 0.409 154 R N 0.919 121.363 120.500 -0.093 0.000 2.643 154 R HA 0.765 5.080 4.340 -0.042 0.000 0.272 154 R C -0.198 176.107 176.300 0.008 0.000 0.995 154 R CA -0.784 55.211 56.100 -0.176 0.000 1.032 154 R CB 1.950 31.810 30.300 -0.733 0.000 1.126 154 R HN 0.728 nan 8.270 nan 0.000 0.505 155 G N 1.331 110.161 108.800 0.050 0.000 2.617 155 G HA2 0.611 4.546 3.960 -0.042 0.000 0.306 155 G HA3 0.611 4.546 3.960 -0.042 0.000 0.306 155 G C -1.208 173.870 174.900 0.297 0.000 1.360 155 G CA -0.601 44.580 45.100 0.135 0.000 0.983 155 G HN 0.272 nan 8.290 nan 0.000 0.496 156 L N 1.293 122.763 121.223 0.413 0.000 2.385 156 L HA 0.714 5.029 4.340 -0.042 0.000 0.273 156 L C 0.419 177.484 176.870 0.324 0.000 0.990 156 L CA -1.031 54.062 54.840 0.421 0.000 0.821 156 L CB 2.295 44.705 42.059 0.585 0.000 1.279 156 L HN 0.669 nan 8.230 nan 0.000 0.412 157 A N 2.931 125.825 122.820 0.123 0.000 2.310 157 A HA 0.830 5.124 4.320 -0.042 0.000 0.299 157 A C -1.177 176.125 177.584 -0.470 0.000 1.147 157 A CA -0.096 51.963 52.037 0.037 0.000 0.818 157 A CB 0.337 19.412 19.000 0.125 0.000 1.096 157 A HN 0.505 nan 8.150 nan 0.000 0.495 158 F N 1.191 121.115 119.950 -0.043 0.000 2.557 158 F HA 0.384 4.889 4.527 -0.036 0.000 0.316 158 F C -0.084 175.662 175.800 -0.090 0.000 1.141 158 F CA -0.661 57.265 58.000 -0.125 0.000 0.922 158 F CB 2.232 41.026 39.000 -0.343 0.000 1.194 158 F HN 0.306 nan 8.300 nan 0.000 0.443 159 V N 3.279 123.244 119.914 0.084 0.000 2.508 159 V HA 0.173 4.268 4.120 -0.042 0.000 0.281 159 V C -0.126 176.012 176.094 0.074 0.000 1.041 159 V CA -0.291 62.031 62.300 0.035 0.000 1.016 159 V CB 1.176 32.971 31.823 -0.048 0.000 0.984 159 V HN 0.753 nan 8.190 nan 0.000 0.478 160 Q N 3.049 122.844 119.800 -0.008 0.000 2.425 160 Q HA 0.222 4.537 4.340 -0.042 0.000 0.254 160 Q C 0.056 176.001 176.000 -0.092 0.000 1.032 160 Q CA -0.659 55.105 55.803 -0.065 0.000 0.798 160 Q CB 1.085 29.763 28.738 -0.100 0.000 1.210 160 Q HN 0.758 nan 8.270 nan 0.000 0.491 161 D N 3.299 123.622 120.400 -0.129 0.000 2.309 161 D HA -0.032 4.583 4.640 -0.042 0.000 0.212 161 D C -0.094 176.339 176.300 0.222 0.000 0.968 161 D CA 1.219 55.227 54.000 0.014 0.000 0.882 161 D CB -0.003 40.873 40.800 0.126 0.000 0.918 161 D HN 0.440 nan 8.370 nan 0.000 0.503 162 F N -5.018 114.929 119.950 -0.004 0.000 2.842 162 F HA 0.274 4.771 4.527 -0.050 0.000 0.319 162 F C -2.310 173.486 175.800 -0.005 0.000 1.159 162 F CA -1.660 56.334 58.000 -0.010 0.000 0.902 162 F CB 0.329 39.316 39.000 -0.020 0.000 1.311 162 F HN -0.414 nan 8.300 nan 0.000 0.453 163 P HA -0.221 nan 4.420 nan 0.000 0.217 163 P C 0.451 177.749 177.300 -0.004 0.000 1.158 163 P CA 2.155 65.294 63.100 0.065 0.000 0.887 163 P CB 0.179 31.941 31.700 0.104 0.000 0.792 164 E N -0.294 119.946 120.200 0.067 0.000 2.437 164 E HA 0.077 4.402 4.350 -0.042 0.000 0.189 164 E C 0.111 176.556 176.600 -0.259 0.000 1.054 164 E CA -0.052 56.341 56.400 -0.011 0.000 0.874 164 E CB -0.582 29.192 29.700 0.124 0.000 1.011 164 E HN 0.359 nan 8.360 nan 0.000 0.474 165 D N 0.408 120.381 120.400 -0.711 0.000 2.304 165 D HA 0.013 4.627 4.640 -0.042 0.000 0.247 165 D C -0.453 175.625 176.300 -0.370 0.000 1.089 165 D CA -0.101 53.374 54.000 -0.875 0.000 0.910 165 D CB 0.968 40.933 40.800 -1.392 0.000 1.199 165 D HN -0.230 nan 8.370 nan 0.000 0.426 166 S N 2.368 117.928 115.700 -0.233 0.000 2.411 166 S HA 0.414 4.858 4.470 -0.042 0.000 0.304 166 S C 1.063 175.598 174.600 -0.108 0.000 1.098 166 S CA -0.234 57.904 58.200 -0.103 0.000 1.068 166 S CB 0.230 63.414 63.200 -0.027 0.000 1.032 166 S HN 0.517 nan 8.310 nan 0.000 0.511 167 A N 4.991 127.657 122.820 -0.257 0.000 2.019 167 A HA -0.039 4.256 4.320 -0.042 0.000 0.219 167 A C 1.455 178.932 177.584 -0.179 0.000 1.164 167 A CA 0.966 52.868 52.037 -0.225 0.000 0.644 167 A CB -0.743 18.029 19.000 -0.379 0.000 0.805 167 A HN 0.991 nan 8.150 nan 0.000 0.449 168 W N -0.132 121.170 121.300 0.004 0.000 2.364 168 W HA -0.040 4.600 4.660 -0.034 0.000 0.281 168 W C 2.452 179.098 176.519 0.212 0.000 1.219 168 W CA 0.836 58.183 57.345 0.003 0.000 1.220 168 W CB -0.182 29.285 29.460 0.011 0.000 1.127 168 W HN 0.369 nan 8.180 nan 0.000 0.556 169 A N -0.468 122.539 122.820 0.311 0.000 2.121 169 A HA -0.105 4.190 4.320 -0.042 0.000 0.218 169 A C 0.244 177.675 177.584 -0.255 0.000 1.154 169 A CA 0.977 53.065 52.037 0.084 0.000 0.679 169 A CB -0.896 18.050 19.000 -0.091 0.000 0.795 169 A HN 0.510 nan 8.150 nan 0.000 0.458 170 H N -0.433 118.755 119.070 0.198 0.000 2.386 170 H HA 0.250 4.793 4.556 -0.021 0.000 0.232 170 H C -2.778 172.559 175.328 0.014 0.000 1.416 170 H CA -2.015 54.086 56.048 0.088 0.000 1.285 170 H CB 0.380 30.174 29.762 0.053 0.000 1.625 170 H HN 0.295 nan 8.280 nan 0.000 0.521 171 P HA -0.023 nan 4.420 nan 0.000 0.271 171 P C 0.025 177.142 177.300 -0.304 0.000 1.218 171 P CA -0.142 62.733 63.100 -0.376 0.000 0.780 171 P CB 2.075 33.632 31.700 -0.239 0.000 0.901 172 V N 3.539 123.198 119.914 -0.425 0.000 2.259 172 V HA 0.137 4.232 4.120 -0.042 0.000 0.267 172 V C 0.773 176.725 176.094 -0.237 0.000 1.051 172 V CA -0.288 61.861 62.300 -0.250 0.000 0.830 172 V CB 0.244 31.922 31.823 -0.242 0.000 1.080 172 V HN 0.552 nan 8.190 nan 0.000 0.467 173 D N 3.048 123.314 120.400 -0.223 0.000 2.384 173 D HA 0.318 4.933 4.640 -0.042 0.000 0.244 173 D C 1.401 177.627 176.300 -0.123 0.000 1.251 173 D CA 1.402 55.194 54.000 -0.346 0.000 0.961 173 D CB 1.565 41.873 40.800 -0.822 0.000 1.116 173 D HN 0.729 nan 8.370 nan 0.000 0.484 174 G N -0.352 108.369 108.800 -0.132 0.000 2.168 174 G HA2 -0.234 3.701 3.960 -0.042 0.000 0.263 174 G HA3 -0.234 3.701 3.960 -0.042 0.000 0.263 174 G C -0.013 174.951 174.900 0.107 0.000 0.977 174 G CA 0.821 46.054 45.100 0.223 0.000 0.659 174 G HN 0.489 nan 8.290 nan 0.000 0.533 175 L N -0.475 120.773 121.223 0.042 0.000 2.445 175 L HA 0.916 5.231 4.340 -0.042 0.000 0.262 175 L C -0.851 176.110 176.870 0.151 0.000 0.974 175 L CA -0.991 53.877 54.840 0.046 0.000 0.822 175 L CB 2.503 44.509 42.059 -0.088 0.000 1.339 175 L HN 0.679 nan 8.230 nan 0.000 0.409 176 V N 3.716 123.752 119.914 0.204 0.000 2.924 176 V HA 0.936 5.030 4.120 -0.042 0.000 0.300 176 V C -1.296 174.865 176.094 0.111 0.000 1.227 176 V CA 0.316 62.768 62.300 0.254 0.000 0.954 176 V CB 1.984 33.985 31.823 0.297 0.000 1.055 176 V HN 1.211 nan 8.190 nan 0.000 0.429 177 A N 5.642 128.514 122.820 0.086 0.000 2.355 177 A HA 0.957 5.252 4.320 -0.042 0.000 0.324 177 A C -1.823 175.743 177.584 -0.029 0.000 1.117 177 A CA -0.454 51.504 52.037 -0.132 0.000 0.785 177 A CB 1.417 20.192 19.000 -0.375 0.000 1.254 177 A HN 0.851 nan 8.150 nan 0.000 0.453 178 Y N 0.700 120.862 120.300 -0.230 0.000 2.352 178 Y HA 0.585 5.111 4.550 -0.041 0.000 0.339 178 Y C -0.163 175.618 175.900 -0.199 0.000 0.992 178 Y CA -1.635 56.311 58.100 -0.257 0.000 1.100 178 Y CB 1.665 39.934 38.460 -0.317 0.000 1.192 178 Y HN 0.343 nan 8.280 nan 0.000 0.458 179 V N 3.308 123.213 119.914 -0.014 0.000 2.588 179 V HA 0.242 4.337 4.120 -0.042 0.000 0.304 179 V C -0.604 175.472 176.094 -0.031 0.000 1.042 179 V CA -1.057 61.215 62.300 -0.046 0.000 0.877 179 V CB 2.213 33.990 31.823 -0.077 0.000 0.996 179 V HN 0.659 nan 8.190 nan 0.000 0.425 180 D N 3.441 123.826 120.400 -0.025 0.000 2.347 180 D HA 0.206 4.821 4.640 -0.042 0.000 0.235 180 D C 0.717 177.013 176.300 -0.005 0.000 1.149 180 D CA -0.093 53.899 54.000 -0.014 0.000 0.850 180 D CB 2.004 42.798 40.800 -0.010 0.000 1.061 180 D HN 0.282 nan 8.370 nan 0.000 0.487 181 V N 3.678 123.594 119.914 0.004 0.000 3.380 181 V HA -0.101 3.994 4.120 -0.042 0.000 0.268 181 V C 1.980 178.098 176.094 0.041 0.000 1.168 181 V CA 0.488 62.800 62.300 0.019 0.000 1.156 181 V CB 0.147 31.983 31.823 0.022 0.000 0.785 181 V HN 0.479 nan 8.190 nan 0.000 0.487 182 V N 0.445 120.385 119.914 0.043 0.000 2.403 182 V HA -0.063 4.032 4.120 -0.042 0.000 0.239 182 V C 2.387 178.499 176.094 0.030 0.000 1.041 182 V CA 1.678 64.014 62.300 0.060 0.000 1.051 182 V CB -0.455 31.411 31.823 0.070 0.000 0.704 182 V HN 0.670 nan 8.190 nan 0.000 0.472 183 S N -0.708 115.001 115.700 0.016 0.000 2.607 183 S HA -0.016 4.429 4.470 -0.042 0.000 0.224 183 S C 0.862 175.464 174.600 0.003 0.000 0.969 183 S CA 0.080 58.284 58.200 0.006 0.000 0.927 183 S CB -0.536 62.664 63.200 0.001 0.000 0.772 183 S HN 0.577 nan 8.310 nan 0.000 0.533 184 K N 0.973 121.376 120.400 0.005 0.000 3.148 184 K HA -0.163 4.132 4.320 -0.042 0.000 0.267 184 K C -1.035 175.557 176.600 -0.012 0.000 0.996 184 K CA 0.977 57.263 56.287 -0.001 0.000 0.737 184 K CB -1.855 30.648 32.500 0.004 0.000 1.308 184 K HN 0.725 nan 8.250 nan 0.000 0.470 185 E N 0.083 120.273 120.200 -0.017 0.000 2.199 185 E HA 0.317 4.641 4.350 -0.042 0.000 0.269 185 E C -0.266 176.311 176.600 -0.038 0.000 0.899 185 E CA -0.937 55.448 56.400 -0.024 0.000 0.772 185 E CB 2.146 31.836 29.700 -0.017 0.000 1.155 185 E HN -0.071 nan 8.360 nan 0.000 0.408 186 V N 3.505 123.388 119.914 -0.051 0.000 2.326 186 V HA -0.047 4.047 4.120 -0.042 0.000 0.249 186 V C 1.568 177.627 176.094 -0.058 0.000 1.114 186 V CA 0.451 62.706 62.300 -0.075 0.000 1.028 186 V CB -0.224 31.541 31.823 -0.097 0.000 1.170 186 V HN 0.934 nan 8.190 nan 0.000 0.494 187 T N 2.172 116.699 114.554 -0.045 0.000 2.897 187 T HA -0.091 4.233 4.350 -0.042 0.000 0.271 187 T C 0.840 175.497 174.700 -0.072 0.000 1.084 187 T CA 0.951 63.029 62.100 -0.037 0.000 1.123 187 T CB 0.302 69.163 68.868 -0.012 0.000 0.865 187 T HN 0.533 nan 8.240 nan 0.000 0.496 188 R N -1.140 119.285 120.500 -0.126 0.000 2.739 188 R HA 0.539 4.853 4.340 -0.042 0.000 0.266 188 R C -2.533 173.600 176.300 -0.278 0.000 1.044 188 R CA -0.621 55.340 56.100 -0.232 0.000 0.885 188 R CB 2.031 32.096 30.300 -0.391 0.000 1.260 188 R HN 0.088 nan 8.270 nan 0.000 0.477 189 V N 4.728 124.519 119.914 -0.204 0.000 2.569 189 V HA 0.508 4.602 4.120 -0.042 0.000 0.301 189 V C -0.491 175.536 176.094 -0.112 0.000 1.044 189 V CA -0.592 61.655 62.300 -0.089 0.000 0.874 189 V CB 1.898 33.774 31.823 0.089 0.000 1.002 189 V HN 0.552 nan 8.190 nan 0.000 0.424 190 I N 3.966 124.462 120.570 -0.123 0.000 2.406 190 I HA 0.512 4.656 4.170 -0.042 0.000 0.290 190 I C -0.953 175.163 176.117 -0.002 0.000 0.999 190 I CA -0.266 60.983 61.300 -0.084 0.000 1.124 190 I CB 1.968 39.890 38.000 -0.129 0.000 1.289 190 I HN 0.518 nan 8.210 nan 0.000 0.441 191 D N 4.525 124.927 120.400 0.003 0.000 2.469 191 D HA 0.173 4.788 4.640 -0.042 0.000 0.251 191 D C 0.782 177.099 176.300 0.027 0.000 1.173 191 D CA -0.292 53.715 54.000 0.012 0.000 0.882 191 D CB 1.657 42.447 40.800 -0.017 0.000 1.129 191 D HN 0.657 nan 8.370 nan 0.000 0.549 192 T N 0.247 114.841 114.554 0.067 0.000 3.067 192 T HA 0.439 4.763 4.350 -0.042 0.000 0.257 192 T C 0.988 175.722 174.700 0.056 0.000 1.105 192 T CA 0.346 62.492 62.100 0.077 0.000 1.104 192 T CB 0.478 69.423 68.868 0.128 0.000 0.925 192 T HN 0.523 nan 8.240 nan 0.000 0.498 193 G N 0.019 108.854 108.800 0.058 0.000 2.358 193 G HA2 0.382 4.317 3.960 -0.042 0.000 0.303 193 G HA3 0.382 4.317 3.960 -0.042 0.000 0.303 193 G C -1.558 173.334 174.900 -0.012 0.000 1.537 193 G CA -0.820 44.255 45.100 -0.041 0.000 0.928 193 G HN 0.204 nan 8.290 nan 0.000 0.656 194 V N 0.684 120.535 119.914 -0.105 0.000 2.583 194 V HA 0.680 4.775 4.120 -0.042 0.000 0.287 194 V C -0.338 175.669 176.094 -0.146 0.000 1.051 194 V CA 0.076 62.344 62.300 -0.053 0.000 1.010 194 V CB 0.886 32.665 31.823 -0.073 0.000 0.988 194 V HN 0.530 nan 8.190 nan 0.000 0.478 195 F N 3.971 123.883 119.950 -0.064 0.000 2.551 195 F HA 0.564 5.058 4.527 -0.055 0.000 0.316 195 F C -2.075 173.694 175.800 -0.051 0.000 1.089 195 F CA -2.351 55.616 58.000 -0.054 0.000 0.915 195 F CB 1.802 40.769 39.000 -0.056 0.000 1.186 195 F HN 0.335 nan 8.300 nan 0.000 0.456 196 P HA 0.124 nan 4.420 nan 0.000 0.268 196 P C -0.944 176.405 177.300 0.082 0.000 1.205 196 P CA -0.149 62.997 63.100 0.077 0.000 0.771 196 P CB 0.572 32.312 31.700 0.066 0.000 0.858 197 V N 6.448 126.389 119.914 0.045 0.000 2.385 197 V HA 0.189 4.284 4.120 -0.042 0.000 0.269 197 V C -1.887 174.252 176.094 0.075 0.000 1.043 197 V CA -1.619 60.704 62.300 0.038 0.000 0.906 197 V CB 0.648 32.472 31.823 0.002 0.000 0.995 197 V HN 0.578 nan 8.190 nan 0.000 0.467 198 P HA 0.008 nan 4.420 nan 0.000 0.260 198 P C 0.451 177.892 177.300 0.236 0.000 1.172 198 P CA 0.398 63.567 63.100 0.115 0.000 0.760 198 P CB 0.771 32.501 31.700 0.050 0.000 0.773 199 A N 3.676 126.607 122.820 0.184 0.000 1.984 199 A HA -0.014 4.281 4.320 -0.042 0.000 0.214 199 A C 0.812 178.576 177.584 0.300 0.000 1.173 199 A CA 0.456 52.621 52.037 0.214 0.000 0.673 199 A CB -0.399 18.674 19.000 0.121 0.000 0.830 199 A HN 0.551 nan 8.150 nan 0.000 0.453 200 E N 0.770 121.104 120.200 0.224 0.000 2.414 200 E HA 0.195 4.520 4.350 -0.042 0.000 0.263 200 E C -0.189 176.587 176.600 0.293 0.000 1.000 200 E CA 0.071 56.600 56.400 0.215 0.000 0.914 200 E CB 0.300 30.080 29.700 0.132 0.000 0.948 200 E HN 0.782 nan 8.360 nan 0.000 0.444 201 H N -0.334 118.894 119.070 0.263 0.000 2.509 201 H HA 0.490 5.018 4.556 -0.046 0.000 0.359 201 H C 0.438 175.882 175.328 0.193 0.000 1.253 201 H CA -0.729 55.445 56.048 0.210 0.000 1.373 201 H CB 1.054 30.953 29.762 0.229 0.000 1.555 201 H HN 0.476 nan 8.280 nan 0.000 0.586 202 G N 1.051 109.975 108.800 0.207 0.000 4.864 202 G HA2 0.067 4.002 3.960 -0.042 0.000 0.280 202 G HA3 0.067 4.002 3.960 -0.042 0.000 0.280 202 G C -0.784 174.070 174.900 -0.077 0.000 1.239 202 G CA -0.672 44.405 45.100 -0.039 0.000 0.951 202 G HN 0.615 nan 8.290 nan 0.000 0.583 203 N N 1.761 120.614 118.700 0.255 0.000 2.663 203 N HA 0.116 4.831 4.740 -0.042 0.000 0.250 203 N C 0.888 176.344 175.510 -0.090 0.000 1.129 203 N CA -0.520 52.500 53.050 -0.050 0.000 0.995 203 N CB 0.526 39.035 38.487 0.036 0.000 1.324 203 N HN 0.562 nan 8.380 nan 0.000 0.512 204 Y N -0.434 119.860 120.300 -0.009 0.000 2.716 204 Y HA -0.053 4.472 4.550 -0.041 0.000 0.302 204 Y C 1.589 177.486 175.900 -0.004 0.000 1.160 204 Y CA 0.379 58.452 58.100 -0.045 0.000 1.362 204 Y CB -0.838 37.550 38.460 -0.119 0.000 0.988 204 Y HN 0.265 nan 8.280 nan 0.000 0.546 205 T N -4.338 110.215 114.554 -0.003 0.000 3.044 205 T HA 0.072 4.397 4.350 -0.042 0.000 0.260 205 T C 0.050 174.771 174.700 0.036 0.000 1.019 205 T CA -0.150 61.977 62.100 0.044 0.000 0.921 205 T CB -0.105 68.776 68.868 0.023 0.000 1.053 205 T HN 0.192 nan 8.240 nan 0.000 0.533 206 D N 3.820 124.249 120.400 0.049 0.000 2.336 206 D HA 0.191 4.806 4.640 -0.042 0.000 0.249 206 D C -1.233 175.118 176.300 0.086 0.000 1.213 206 D CA -2.512 51.530 54.000 0.069 0.000 0.870 206 D CB 1.664 42.534 40.800 0.116 0.000 1.076 206 D HN 0.052 nan 8.370 nan 0.000 0.483 207 P HA -0.170 nan 4.420 nan 0.000 0.229 207 P C 0.922 178.259 177.300 0.060 0.000 1.150 207 P CA 0.745 63.876 63.100 0.051 0.000 0.765 207 P CB 0.356 32.076 31.700 0.033 0.000 0.783 208 E N -0.605 119.645 120.200 0.084 0.000 2.158 208 E HA -0.116 4.209 4.350 -0.042 0.000 0.191 208 E C 1.769 178.433 176.600 0.108 0.000 0.982 208 E CA 0.333 56.792 56.400 0.098 0.000 0.823 208 E CB -0.213 29.564 29.700 0.129 0.000 0.766 208 E HN 0.067 nan 8.360 nan 0.000 0.468 209 L N 0.460 121.760 121.223 0.128 0.000 2.200 209 L HA -0.001 4.314 4.340 -0.042 0.000 0.200 209 L C 2.518 179.419 176.870 0.052 0.000 1.072 209 L CA 2.115 57.001 54.840 0.077 0.000 0.787 209 L CB -0.673 41.432 42.059 0.077 0.000 0.957 209 L HN 0.267 nan 8.230 nan 0.000 0.459 210 T N -2.164 112.427 114.554 0.062 0.000 2.746 210 T HA 0.294 4.619 4.350 -0.042 0.000 0.267 210 T C 1.199 175.920 174.700 0.035 0.000 1.039 210 T CA 0.759 62.887 62.100 0.045 0.000 1.142 210 T CB -1.008 67.890 68.868 0.051 0.000 0.866 210 T HN 0.843 nan 8.240 nan 0.000 0.444 211 G N 1.604 110.427 108.800 0.038 0.000 2.685 211 G HA2 0.056 3.991 3.960 -0.042 0.000 0.387 211 G HA3 0.056 3.991 3.960 -0.042 0.000 0.387 211 G C -3.006 171.909 174.900 0.026 0.000 1.324 211 G CA -0.758 44.361 45.100 0.030 0.000 0.878 211 G HN 0.547 nan 8.290 nan 0.000 0.527 212 P HA 0.443 nan 4.420 nan 0.000 0.268 212 P C 0.211 177.520 177.300 0.016 0.000 1.204 212 P CA -0.481 62.630 63.100 0.018 0.000 0.768 212 P CB 0.485 32.193 31.700 0.014 0.000 0.842 213 L N 3.627 124.859 121.223 0.016 0.000 2.473 213 L HA 0.155 4.469 4.340 -0.042 0.000 0.268 213 L C 1.244 178.120 176.870 0.010 0.000 1.215 213 L CA 0.216 55.064 54.840 0.014 0.000 0.823 213 L CB -0.242 41.826 42.059 0.015 0.000 1.099 213 L HN 0.326 nan 8.230 nan 0.000 0.483 214 R N 0.195 120.699 120.500 0.007 0.000 2.590 214 R HA 0.198 4.513 4.340 -0.042 0.000 0.274 214 R C 0.548 176.851 176.300 0.005 0.000 1.061 214 R CA 0.523 56.626 56.100 0.005 0.000 1.081 214 R CB 0.277 30.578 30.300 0.002 0.000 0.984 214 R HN 0.780 nan 8.270 nan 0.000 0.448 215 T N -3.663 110.894 114.554 0.004 0.000 3.044 215 T HA -0.030 4.295 4.350 -0.042 0.000 0.260 215 T C 1.485 176.186 174.700 0.003 0.000 1.019 215 T CA 0.188 62.291 62.100 0.004 0.000 0.921 215 T CB 0.335 69.206 68.868 0.005 0.000 1.053 215 T HN 0.686 nan 8.240 nan 0.000 0.533 216 T N -0.106 114.449 114.554 0.002 0.000 3.043 216 T HA 0.086 4.410 4.350 -0.042 0.000 0.263 216 T C 0.846 175.546 174.700 -0.000 0.000 1.094 216 T CA 0.064 62.164 62.100 0.000 0.000 1.127 216 T CB -0.443 68.424 68.868 -0.001 0.000 0.905 216 T HN 0.399 nan 8.240 nan 0.000 0.490 217 Q N 2.075 121.875 119.800 0.000 0.000 2.281 217 Q HA 0.243 4.558 4.340 -0.042 0.000 0.267 217 Q C -0.339 175.662 176.000 0.002 0.000 1.053 217 Q CA -0.028 55.775 55.803 0.000 0.000 0.905 217 Q CB 0.652 29.390 28.738 -0.000 0.000 1.195 217 Q HN 0.269 nan 8.270 nan 0.000 0.398 218 K N 2.939 123.340 120.400 0.001 0.000 2.095 218 K HA 0.486 4.781 4.320 -0.042 0.000 0.252 218 K C -2.182 174.420 176.600 0.004 0.000 0.977 218 K CA -1.982 54.307 56.287 0.003 0.000 0.900 218 K CB 0.259 32.760 32.500 0.002 0.000 1.060 218 K HN 0.398 nan 8.250 nan 0.000 0.449 219 P HA 0.251 nan 4.420 nan 0.000 0.269 219 P C -0.533 176.773 177.300 0.009 0.000 1.209 219 P CA -0.051 63.054 63.100 0.009 0.000 0.776 219 P CB 0.430 32.136 31.700 0.010 0.000 0.876 220 I N 1.188 121.765 120.570 0.012 0.000 2.439 220 I HA 0.182 4.327 4.170 -0.042 0.000 0.285 220 I C -0.438 175.691 176.117 0.020 0.000 1.021 220 I CA -0.403 60.906 61.300 0.015 0.000 1.091 220 I CB 1.715 39.724 38.000 0.016 0.000 1.242 220 I HN 0.199 nan 8.210 nan 0.000 0.439 221 S N 7.381 123.094 115.700 0.022 0.000 2.438 221 S HA 0.573 5.017 4.470 -0.042 0.000 0.316 221 S C -0.197 174.423 174.600 0.033 0.000 1.084 221 S CA -0.505 57.710 58.200 0.026 0.000 1.107 221 S CB 0.966 64.179 63.200 0.023 0.000 0.981 221 S HN 0.375 nan 8.310 nan 0.000 0.466 222 I N 4.181 124.775 120.570 0.041 0.000 2.330 222 I HA 0.307 4.452 4.170 -0.042 0.000 0.286 222 I C 0.337 176.486 176.117 0.053 0.000 1.025 222 I CA -0.254 61.078 61.300 0.054 0.000 1.197 222 I CB 0.890 38.932 38.000 0.069 0.000 1.358 222 I HN 0.586 nan 8.210 nan 0.000 0.467 223 T N 2.050 116.635 114.554 0.051 0.000 2.907 223 T HA 0.472 4.797 4.350 -0.042 0.000 0.292 223 T C -0.549 174.183 174.700 0.053 0.000 1.043 223 T CA -0.914 61.214 62.100 0.047 0.000 1.003 223 T CB 2.258 71.148 68.868 0.036 0.000 1.084 223 T HN 0.462 nan 8.240 nan 0.000 0.483 224 Q N 2.020 121.849 119.800 0.050 0.000 2.607 224 Q HA 0.248 4.562 4.340 -0.042 0.000 0.247 224 Q C -1.769 174.250 176.000 0.031 0.000 1.033 224 Q CA -2.092 53.741 55.803 0.049 0.000 0.769 224 Q CB 1.835 30.608 28.738 0.057 0.000 1.169 224 Q HN 0.596 nan 8.270 nan 0.000 0.508 225 P HA -0.190 nan 4.420 nan 0.000 0.220 225 P C 0.134 177.443 177.300 0.015 0.000 1.144 225 P CA 1.358 64.470 63.100 0.021 0.000 0.800 225 P CB 0.498 32.210 31.700 0.021 0.000 0.772 226 E N -0.918 119.290 120.200 0.015 0.000 2.583 226 E HA 0.378 4.703 4.350 -0.042 0.000 0.213 226 E C 0.746 177.343 176.600 -0.005 0.000 0.989 226 E CA 0.011 56.415 56.400 0.007 0.000 0.991 226 E CB 0.537 30.242 29.700 0.010 0.000 1.040 226 E HN 0.204 nan 8.360 nan 0.000 0.481 227 G N 2.772 111.568 108.800 -0.006 0.000 2.757 227 G HA2 -0.179 3.756 3.960 -0.042 0.000 0.638 227 G HA3 -0.179 3.756 3.960 -0.042 0.000 0.638 227 G C -2.804 172.071 174.900 -0.041 0.000 1.344 227 G CA -0.903 44.176 45.100 -0.035 0.000 0.855 227 G HN -0.019 nan 8.290 nan 0.000 0.537 228 P HA 0.369 nan 4.420 nan 0.000 0.274 228 P C 0.545 177.780 177.300 -0.108 0.000 1.237 228 P CA 0.044 63.056 63.100 -0.146 0.000 0.793 228 P CB 1.312 32.668 31.700 -0.573 0.000 0.977 229 S N 0.244 116.020 115.700 0.127 0.000 2.593 229 S HA 0.131 4.576 4.470 -0.042 0.000 0.217 229 S C 0.633 175.423 174.600 0.316 0.000 0.966 229 S CA -0.029 58.287 58.200 0.194 0.000 0.914 229 S CB -0.859 62.487 63.200 0.244 0.000 0.776 229 S HN 0.570 nan 8.310 nan 0.000 0.523 230 F N 1.793 121.941 119.950 0.330 0.000 2.432 230 F HA 0.768 5.270 4.527 -0.042 0.000 0.329 230 F C 0.016 175.912 175.800 0.159 0.000 1.076 230 F CA -1.093 57.089 58.000 0.304 0.000 1.018 230 F CB 0.585 39.743 39.000 0.263 0.000 1.201 230 F HN -0.120 nan 8.300 nan 0.000 0.489 231 T N 0.194 114.943 114.554 0.325 0.000 2.829 231 T HA 0.728 5.052 4.350 -0.042 0.000 0.280 231 T C -1.111 173.757 174.700 0.279 0.000 0.999 231 T CA -0.786 61.429 62.100 0.193 0.000 0.983 231 T CB 1.381 70.335 68.868 0.143 0.000 0.968 231 T HN 0.679 nan 8.240 nan 0.000 0.446 232 V N 3.693 123.741 119.914 0.224 0.000 2.409 232 V HA 0.720 4.815 4.120 -0.042 0.000 0.291 232 V C 0.425 176.619 176.094 0.168 0.000 1.020 232 V CA -0.654 61.775 62.300 0.215 0.000 0.848 232 V CB 1.127 33.080 31.823 0.216 0.000 0.990 232 V HN 1.272 nan 8.190 nan 0.000 0.430 233 T N 0.040 114.710 114.554 0.193 0.000 2.906 233 T HA 0.681 5.006 4.350 -0.042 0.000 0.295 233 T C 0.753 175.541 174.700 0.146 0.000 1.075 233 T CA -0.109 62.080 62.100 0.148 0.000 1.005 233 T CB 1.754 70.702 68.868 0.132 0.000 1.136 233 T HN 1.723 nan 8.240 nan 0.000 0.498 234 G N -0.126 108.730 108.800 0.094 0.000 2.258 234 G HA2 0.120 4.055 3.960 -0.042 0.000 0.274 234 G HA3 0.120 4.055 3.960 -0.042 0.000 0.274 234 G C 1.322 176.280 174.900 0.097 0.000 1.021 234 G CA 1.011 46.160 45.100 0.082 0.000 0.798 234 G HN 2.384 nan 8.290 nan 0.000 0.507 235 G N -0.028 108.829 108.800 0.096 0.000 2.990 235 G HA2 -0.302 3.633 3.960 -0.042 0.000 0.225 235 G HA3 -0.302 3.633 3.960 -0.042 0.000 0.225 235 G C 0.937 175.898 174.900 0.102 0.000 1.304 235 G CA 1.185 46.339 45.100 0.090 0.000 0.816 235 G HN 2.178 nan 8.290 nan 0.000 0.528 236 N N 0.034 118.806 118.700 0.120 0.000 2.240 236 N HA 0.136 4.851 4.740 -0.042 0.000 0.240 236 N C -0.181 175.402 175.510 0.121 0.000 1.277 236 N CA 0.134 53.249 53.050 0.108 0.000 0.873 236 N CB -0.300 38.247 38.487 0.099 0.000 1.222 236 N HN 0.655 nan 8.380 nan 0.000 0.507 237 H N 1.530 120.643 119.070 0.072 0.000 2.604 237 H HA 0.313 4.843 4.556 -0.042 0.000 0.306 237 H C -0.780 174.601 175.328 0.087 0.000 1.075 237 H CA -0.300 55.788 56.048 0.068 0.000 1.357 237 H CB 0.996 30.799 29.762 0.067 0.000 1.426 237 H HN -0.034 nan 8.280 nan 0.000 0.470 238 I N 4.645 124.979 120.570 -0.393 0.000 2.412 238 I HA 0.218 4.363 4.170 -0.042 0.000 0.296 238 I C 0.170 176.187 176.117 -0.166 0.000 0.987 238 I CA -0.602 60.603 61.300 -0.158 0.000 1.180 238 I CB 1.613 39.529 38.000 -0.140 0.000 1.340 238 I HN 0.562 nan 8.210 nan 0.000 0.455 239 E N 5.494 125.763 120.200 0.114 0.000 2.216 239 E HA 0.300 4.625 4.350 -0.042 0.000 0.260 239 E C -1.712 175.092 176.600 0.341 0.000 0.880 239 E CA -0.417 56.098 56.400 0.191 0.000 0.765 239 E CB 2.720 32.542 29.700 0.204 0.000 1.174 239 E HN 0.631 nan 8.360 nan 0.000 0.417 240 W N 3.758 125.139 121.300 0.134 0.000 3.405 240 W HA 0.143 4.778 4.660 -0.041 0.000 0.329 240 W C -0.452 176.180 176.519 0.187 0.000 1.142 240 W CA -0.439 57.011 57.345 0.175 0.000 1.235 240 W CB 0.958 30.520 29.460 0.169 0.000 1.341 240 W HN 0.296 nan 8.180 nan 0.000 0.481 241 E N 5.783 125.655 120.200 -0.546 0.000 2.149 241 E HA -0.323 4.002 4.350 -0.042 0.000 0.191 241 E C 0.541 176.852 176.600 -0.483 0.000 1.384 241 E CA 1.880 57.879 56.400 -0.669 0.000 0.698 241 E CB -1.025 27.874 29.700 -1.335 0.000 1.086 241 E HN 0.895 nan 8.360 nan 0.000 0.338 242 K N -3.599 116.542 120.400 -0.431 0.000 3.610 242 K HA -0.248 4.047 4.320 -0.042 0.000 0.283 242 K C 0.126 176.276 176.600 -0.750 0.000 1.210 242 K CA 1.768 57.618 56.287 -0.729 0.000 1.026 242 K CB -1.344 30.364 32.500 -1.320 0.000 1.295 242 K HN 0.299 nan 8.250 nan 0.000 0.468 243 W N 1.484 122.596 121.300 -0.313 0.000 2.251 243 W HA 0.425 5.060 4.660 -0.041 0.000 0.329 243 W C 0.600 177.108 176.519 -0.019 0.000 1.234 243 W CA -0.153 57.156 57.345 -0.059 0.000 1.228 243 W CB 1.529 31.114 29.460 0.207 0.000 1.135 243 W HN -0.030 nan 8.180 nan 0.000 0.576 244 S N 4.234 120.110 115.700 0.292 0.000 2.575 244 S HA 0.814 5.258 4.470 -0.042 0.000 0.278 244 S C -1.116 173.507 174.600 0.039 0.000 1.139 244 S CA -0.725 57.540 58.200 0.108 0.000 0.954 244 S CB 0.129 63.413 63.200 0.141 0.000 1.054 244 S HN 0.545 nan 8.310 nan 0.000 0.483 245 L N 1.137 122.244 121.223 -0.193 0.000 2.940 245 L HA 0.760 5.075 4.340 -0.042 0.000 0.270 245 L C -2.100 174.615 176.870 -0.258 0.000 1.030 245 L CA -1.052 53.683 54.840 -0.175 0.000 0.928 245 L CB 1.679 43.650 42.059 -0.146 0.000 1.506 245 L HN 0.382 nan 8.230 nan 0.000 0.405 246 D N 1.414 121.745 120.400 -0.115 0.000 2.502 246 D HA 0.455 5.070 4.640 -0.042 0.000 0.249 246 D C -0.744 175.560 176.300 0.008 0.000 1.092 246 D CA -0.261 53.739 54.000 -0.000 0.000 0.839 246 D CB 3.178 44.033 40.800 0.092 0.000 1.264 246 D HN 0.379 nan 8.370 nan 0.000 0.511 247 V N 2.339 122.258 119.914 0.007 0.000 2.339 247 V HA 0.424 4.519 4.120 -0.042 0.000 0.261 247 V C 1.041 177.187 176.094 0.087 0.000 1.058 247 V CA -0.378 61.915 62.300 -0.011 0.000 0.897 247 V CB 0.854 32.659 31.823 -0.031 0.000 1.052 247 V HN 0.573 nan 8.190 nan 0.000 0.480 248 G N 3.116 111.983 108.800 0.113 0.000 2.488 248 G HA2 0.668 4.603 3.960 -0.042 0.000 0.318 248 G HA3 0.668 4.603 3.960 -0.042 0.000 0.318 248 G C -1.418 173.562 174.900 0.134 0.000 1.188 248 G CA -0.439 44.774 45.100 0.189 0.000 0.944 248 G HN 0.496 nan 8.290 nan 0.000 0.495 249 F N 0.122 120.047 119.950 -0.041 0.000 2.607 249 F HA 0.449 4.950 4.527 -0.043 0.000 0.322 249 F C -1.335 174.406 175.800 -0.099 0.000 1.176 249 F CA -0.921 57.007 58.000 -0.121 0.000 0.977 249 F CB 2.356 41.271 39.000 -0.142 0.000 1.242 249 F HN 0.528 nan 8.300 nan 0.000 0.465 250 D N 3.905 123.921 120.400 -0.641 0.000 2.350 250 D HA 0.319 4.933 4.640 -0.042 0.000 0.245 250 D C 0.350 176.290 176.300 -0.600 0.000 1.036 250 D CA -0.569 53.197 54.000 -0.390 0.000 0.848 250 D CB 2.425 43.113 40.800 -0.187 0.000 1.307 250 D HN 0.362 nan 8.370 nan 0.000 0.469 251 V N 4.135 123.885 119.914 -0.273 0.000 2.568 251 V HA -0.154 3.941 4.120 -0.042 0.000 0.253 251 V C 2.107 178.108 176.094 -0.156 0.000 1.072 251 V CA 2.108 64.291 62.300 -0.195 0.000 1.084 251 V CB -0.409 31.342 31.823 -0.120 0.000 0.676 251 V HN 0.628 nan 8.190 nan 0.000 0.469 252 R N -0.584 119.883 120.500 -0.054 0.000 2.064 252 R HA -0.039 4.276 4.340 -0.042 0.000 0.221 252 R C 2.184 178.407 176.300 -0.128 0.000 1.136 252 R CA 1.542 57.597 56.100 -0.075 0.000 0.980 252 R CB -0.135 30.083 30.300 -0.137 0.000 0.876 252 R HN 0.572 nan 8.270 nan 0.000 0.437 253 E N -0.603 119.504 120.200 -0.154 0.000 2.318 253 E HA 0.141 4.465 4.350 -0.042 0.000 0.193 253 E C 0.696 177.130 176.600 -0.276 0.000 0.998 253 E CA 0.392 56.719 56.400 -0.123 0.000 0.859 253 E CB 0.573 30.247 29.700 -0.043 0.000 0.812 253 E HN 0.558 nan 8.360 nan 0.000 0.492 254 G N 0.696 109.091 108.800 -0.676 0.000 2.481 254 G HA2 -0.283 3.652 3.960 -0.042 0.000 0.230 254 G HA3 -0.283 3.652 3.960 -0.042 0.000 0.230 254 G C -0.207 174.051 174.900 -1.070 0.000 1.210 254 G CA -0.396 43.951 45.100 -1.255 0.000 0.936 254 G HN 0.090 nan 8.290 nan 0.000 0.583 255 V N 0.745 120.216 119.914 -0.738 0.000 2.529 255 V HA 0.412 4.507 4.120 -0.042 0.000 0.292 255 V C 0.813 176.833 176.094 -0.123 0.000 1.028 255 V CA 0.220 62.428 62.300 -0.154 0.000 1.074 255 V CB 0.880 32.808 31.823 0.176 0.000 0.958 255 V HN 0.860 nan 8.190 nan 0.000 0.481 256 V N 6.753 126.533 119.914 -0.223 0.000 2.680 256 V HA 0.495 4.590 4.120 -0.042 0.000 0.309 256 V C -0.207 175.563 176.094 -0.540 0.000 1.052 256 V CA -0.680 61.396 62.300 -0.374 0.000 0.908 256 V CB 2.052 33.671 31.823 -0.340 0.000 1.001 256 V HN 0.609 nan 8.190 nan 0.000 0.431 257 L N 4.803 125.587 121.223 -0.732 0.000 2.307 257 L HA 0.630 4.944 4.340 -0.042 0.000 0.284 257 L C -0.568 175.896 176.870 -0.677 0.000 1.023 257 L CA -0.600 53.838 54.840 -0.669 0.000 0.810 257 L CB 1.191 42.794 42.059 -0.761 0.000 1.231 257 L HN 0.614 nan 8.230 nan 0.000 0.423 258 H N 3.622 122.526 119.070 -0.275 0.000 2.569 258 H HA 0.287 4.817 4.556 -0.042 0.000 0.357 258 H C -0.213 174.908 175.328 -0.345 0.000 1.153 258 H CA -0.729 55.127 56.048 -0.319 0.000 1.193 258 H CB 1.892 31.409 29.762 -0.407 0.000 1.602 258 H HN 0.555 nan 8.280 nan 0.000 0.523 259 N N 1.445 120.011 118.700 -0.224 0.000 2.705 259 N HA -0.201 4.514 4.740 -0.042 0.000 0.255 259 N C -0.360 175.090 175.510 -0.101 0.000 1.008 259 N CA 0.477 53.410 53.050 -0.196 0.000 0.742 259 N CB -1.277 37.050 38.487 -0.266 0.000 0.906 259 N HN 0.547 nan 8.380 nan 0.000 0.541 260 I N 0.572 121.087 120.570 -0.093 0.000 2.505 260 I HA 0.264 4.409 4.170 -0.042 0.000 0.287 260 I C 0.982 177.157 176.117 0.097 0.000 1.104 260 I CA 0.149 61.459 61.300 0.017 0.000 1.387 260 I CB 0.558 38.545 38.000 -0.021 0.000 1.404 260 I HN 0.341 nan 8.210 nan 0.000 0.528 261 A N 6.903 129.842 122.820 0.199 0.000 2.515 261 A HA 0.775 5.070 4.320 -0.042 0.000 0.296 261 A C -1.543 176.174 177.584 0.223 0.000 1.094 261 A CA -0.441 51.700 52.037 0.173 0.000 0.718 261 A CB 1.509 20.567 19.000 0.098 0.000 1.307 261 A HN 0.516 nan 8.150 nan 0.000 0.408 262 F N 0.515 120.462 119.950 -0.004 0.000 2.507 262 F HA 0.609 5.111 4.527 -0.042 0.000 0.328 262 F C 0.409 176.230 175.800 0.035 0.000 1.136 262 F CA -0.488 57.447 58.000 -0.109 0.000 0.930 262 F CB 1.788 40.675 39.000 -0.188 0.000 1.166 262 F HN 0.604 nan 8.300 nan 0.000 0.436 263 R N 3.968 124.383 120.500 -0.140 0.000 2.429 263 R HA 0.097 4.412 4.340 -0.042 0.000 0.302 263 R C -0.779 175.602 176.300 0.135 0.000 1.268 263 R CA -0.080 56.014 56.100 -0.009 0.000 1.090 263 R CB -0.399 29.838 30.300 -0.105 0.000 1.102 263 R HN 0.474 nan 8.270 nan 0.000 0.522 264 D N 3.855 124.449 120.400 0.323 0.000 2.470 264 D HA 0.176 4.791 4.640 -0.042 0.000 0.226 264 D C 1.089 177.488 176.300 0.164 0.000 1.196 264 D CA 1.089 55.306 54.000 0.361 0.000 0.979 264 D CB 0.355 41.373 40.800 0.364 0.000 1.059 264 D HN 0.709 nan 8.370 nan 0.000 0.515 265 G N 4.856 113.723 108.800 0.111 0.000 3.729 265 G HA2 -0.419 3.516 3.960 -0.042 0.000 0.327 265 G HA3 -0.419 3.516 3.960 -0.042 0.000 0.327 265 G C 0.918 175.840 174.900 0.036 0.000 1.293 265 G CA 0.785 45.919 45.100 0.056 0.000 1.011 265 G HN 0.573 nan 8.290 nan 0.000 0.673 266 D N 1.435 121.856 120.400 0.036 0.000 2.369 266 D HA 0.089 4.703 4.640 -0.042 0.000 0.231 266 D C 1.345 177.661 176.300 0.028 0.000 0.967 266 D CA 0.317 54.331 54.000 0.023 0.000 0.905 266 D CB -0.086 40.724 40.800 0.016 0.000 1.044 266 D HN 0.592 nan 8.370 nan 0.000 0.487 267 R N 0.995 121.516 120.500 0.035 0.000 2.442 267 R HA 0.273 4.588 4.340 -0.042 0.000 0.291 267 R C 0.044 176.381 176.300 0.062 0.000 1.069 267 R CA -0.469 55.653 56.100 0.035 0.000 1.022 267 R CB 1.198 31.508 30.300 0.017 0.000 0.976 267 R HN 0.174 nan 8.270 nan 0.000 0.443 268 L N 5.087 126.341 121.223 0.052 0.000 2.282 268 L HA 0.268 4.583 4.340 -0.042 0.000 0.287 268 L C -0.540 176.378 176.870 0.080 0.000 1.075 268 L CA -0.093 54.787 54.840 0.068 0.000 0.839 268 L CB 0.233 42.322 42.059 0.049 0.000 1.219 268 L HN 0.640 nan 8.230 nan 0.000 0.434 269 R N 6.983 127.569 120.500 0.143 0.000 2.221 269 R HA 0.420 4.735 4.340 -0.042 0.000 0.327 269 R C -2.284 174.120 176.300 0.173 0.000 1.033 269 R CA -1.723 54.475 56.100 0.163 0.000 0.887 269 R CB 0.780 31.223 30.300 0.237 0.000 1.057 269 R HN 0.511 nan 8.270 nan 0.000 0.455 270 P HA 0.084 nan 4.420 nan 0.000 0.275 270 P C -0.157 177.123 177.300 -0.034 0.000 1.227 270 P CA 0.060 63.148 63.100 -0.021 0.000 0.781 270 P CB 1.217 32.830 31.700 -0.146 0.000 0.906 271 I N 1.596 122.089 120.570 -0.128 0.000 3.650 271 I HA 0.239 4.384 4.170 -0.042 0.000 0.261 271 I C 0.756 176.717 176.117 -0.261 0.000 1.154 271 I CA 0.239 61.360 61.300 -0.299 0.000 1.418 271 I CB 0.314 38.020 38.000 -0.490 0.000 1.539 271 I HN 0.144 nan 8.210 nan 0.000 0.449 272 I N 1.332 121.785 120.570 -0.195 0.000 2.466 272 I HA 0.170 4.315 4.170 -0.042 0.000 0.289 272 I C 0.678 176.700 176.117 -0.158 0.000 1.026 272 I CA -0.225 60.973 61.300 -0.170 0.000 1.078 272 I CB 2.003 39.910 38.000 -0.154 0.000 1.249 272 I HN 0.132 nan 8.210 nan 0.000 0.429 273 N N 5.305 123.925 118.700 -0.133 0.000 2.171 273 N HA 0.010 4.725 4.740 -0.042 0.000 0.184 273 N C 0.547 176.002 175.510 -0.091 0.000 1.021 273 N CA 1.005 54.006 53.050 -0.082 0.000 0.854 273 N CB 0.517 39.052 38.487 0.079 0.000 0.994 273 N HN 0.534 nan 8.380 nan 0.000 0.426 274 R N -0.150 120.275 120.500 -0.126 0.000 2.515 274 R HA 0.458 4.772 4.340 -0.042 0.000 0.278 274 R C -2.094 174.046 176.300 -0.267 0.000 1.107 274 R CA -0.490 55.485 56.100 -0.207 0.000 0.945 274 R CB 1.822 32.062 30.300 -0.100 0.000 1.219 274 R HN 0.057 nan 8.270 nan 0.000 0.434 275 A N 2.302 124.880 122.820 -0.404 0.000 2.343 275 A HA 0.736 5.031 4.320 -0.042 0.000 0.316 275 A C -1.000 176.315 177.584 -0.448 0.000 1.104 275 A CA -0.440 51.353 52.037 -0.406 0.000 0.768 275 A CB 1.537 20.189 19.000 -0.580 0.000 1.213 275 A HN 0.806 nan 8.150 nan 0.000 0.456 276 S N 1.323 116.940 115.700 -0.137 0.000 2.588 276 S HA 0.668 5.113 4.470 -0.042 0.000 0.269 276 S C -1.115 173.603 174.600 0.195 0.000 1.157 276 S CA -0.715 57.500 58.200 0.025 0.000 0.824 276 S CB 0.927 64.084 63.200 -0.072 0.000 1.126 276 S HN 0.535 nan 8.310 nan 0.000 0.464 277 I N 2.260 122.984 120.570 0.257 0.000 2.287 277 I HA 0.392 4.536 4.170 -0.042 0.000 0.290 277 I C 1.313 177.538 176.117 0.180 0.000 1.069 277 I CA -0.510 60.926 61.300 0.227 0.000 1.237 277 I CB 0.218 38.442 38.000 0.373 0.000 1.418 277 I HN 0.988 nan 8.210 nan 0.000 0.481 278 A N 5.100 127.996 122.820 0.127 0.000 2.169 278 A HA 0.106 4.401 4.320 -0.042 0.000 0.212 278 A C 0.742 178.373 177.584 0.079 0.000 1.153 278 A CA 0.851 52.980 52.037 0.154 0.000 0.756 278 A CB 0.076 19.196 19.000 0.200 0.000 0.813 278 A HN 0.648 nan 8.150 nan 0.000 0.471 279 E N -1.864 118.321 120.200 -0.026 0.000 2.388 279 E HA 0.571 4.896 4.350 -0.042 0.000 0.281 279 E C -1.436 175.122 176.600 -0.070 0.000 1.046 279 E CA -0.315 56.019 56.400 -0.111 0.000 0.825 279 E CB 0.915 30.359 29.700 -0.426 0.000 1.243 279 E HN 0.086 nan 8.360 nan 0.000 0.438 280 M N 3.802 123.371 119.600 -0.052 0.000 2.215 280 M HA 0.365 4.820 4.480 -0.042 0.000 0.251 280 M C -1.909 174.250 176.300 -0.234 0.000 0.987 280 M CA -0.712 54.427 55.300 -0.269 0.000 1.025 280 M CB 1.485 33.902 32.600 -0.305 0.000 2.064 280 M HN 0.439 nan 8.290 nan 0.000 0.473 281 V N 5.319 125.043 119.914 -0.316 0.000 2.667 281 V HA 0.704 4.798 4.120 -0.042 0.000 0.308 281 V C -1.059 174.749 176.094 -0.478 0.000 1.048 281 V CA -0.283 61.718 62.300 -0.498 0.000 0.928 281 V CB 2.281 33.633 31.823 -0.784 0.000 1.004 281 V HN 0.582 nan 8.190 nan 0.000 0.444 282 V N 8.220 127.869 119.914 -0.441 0.000 2.266 282 V HA 0.386 4.481 4.120 -0.042 0.000 0.266 282 V C -2.379 173.432 176.094 -0.473 0.000 1.036 282 V CA -1.333 60.681 62.300 -0.476 0.000 0.828 282 V CB 1.124 32.713 31.823 -0.391 0.000 1.081 282 V HN 0.809 nan 8.190 nan 0.000 0.449 283 P HA 0.303 nan 4.420 nan 0.000 0.279 283 P C -1.281 175.799 177.300 -0.366 0.000 1.239 283 P CA -0.194 62.716 63.100 -0.317 0.000 0.789 283 P CB 1.091 32.634 31.700 -0.260 0.000 0.933 284 Y N 0.347 120.500 120.300 -0.244 0.000 2.387 284 Y HA 0.487 5.013 4.550 -0.040 0.000 0.336 284 Y C 1.644 177.493 175.900 -0.084 0.000 1.067 284 Y CA 0.126 58.133 58.100 -0.155 0.000 1.114 284 Y CB 1.661 39.954 38.460 -0.279 0.000 1.208 284 Y HN 0.472 nan 8.280 nan 0.000 0.458 285 G N 1.130 109.993 108.800 0.105 0.000 3.707 285 G HA2 0.015 3.950 3.960 -0.042 0.000 0.286 285 G HA3 0.015 3.950 3.960 -0.042 0.000 0.286 285 G C -0.749 174.206 174.900 0.092 0.000 1.112 285 G CA -0.180 44.983 45.100 0.106 0.000 0.861 285 G HN 0.495 nan 8.290 nan 0.000 0.534 286 D N 1.325 121.761 120.400 0.060 0.000 2.317 286 D HA 0.249 4.864 4.640 -0.042 0.000 0.234 286 D C -1.250 175.030 176.300 -0.032 0.000 1.112 286 D CA -2.359 51.636 54.000 -0.008 0.000 0.840 286 D CB 2.281 43.073 40.800 -0.014 0.000 1.078 286 D HN 0.051 nan 8.370 nan 0.000 0.486 287 P HA -0.017 nan 4.420 nan 0.000 0.247 287 P C 0.278 177.570 177.300 -0.012 0.000 1.225 287 P CA -0.054 63.039 63.100 -0.012 0.000 0.768 287 P CB 0.133 31.836 31.700 0.006 0.000 1.020 288 S N 2.419 118.103 115.700 -0.027 0.000 2.531 288 S HA 0.159 4.604 4.470 -0.042 0.000 0.279 288 S C -0.980 173.627 174.600 0.012 0.000 1.305 288 S CA -1.308 56.888 58.200 -0.006 0.000 1.058 288 S CB 0.349 63.528 63.200 -0.035 0.000 0.899 288 S HN 0.003 nan 8.310 nan 0.000 0.493 289 P HA -0.105 nan 4.420 nan 0.000 0.223 289 P C 1.344 178.807 177.300 0.272 0.000 1.144 289 P CA 0.679 63.870 63.100 0.152 0.000 0.783 289 P CB -0.040 31.752 31.700 0.153 0.000 0.771 290 I N -0.193 120.491 120.570 0.191 0.000 2.439 290 I HA -0.083 4.062 4.170 -0.042 0.000 0.251 290 I C 2.193 178.470 176.117 0.267 0.000 1.139 290 I CA 1.301 62.763 61.300 0.270 0.000 1.438 290 I CB -1.001 37.060 38.000 0.102 0.000 1.085 290 I HN 0.034 nan 8.210 nan 0.000 0.427 291 R N -0.499 119.936 120.500 -0.109 0.000 2.531 291 R HA 0.100 4.414 4.340 -0.042 0.000 0.316 291 R C 1.877 177.710 176.300 -0.778 0.000 0.955 291 R CA 0.442 56.186 56.100 -0.593 0.000 1.120 291 R CB 0.327 30.413 30.300 -0.356 0.000 1.361 291 R HN 0.269 nan 8.270 nan 0.000 0.534 292 S N 0.615 116.056 115.700 -0.432 0.000 2.595 292 S HA -0.094 4.350 4.470 -0.042 0.000 0.235 292 S C 1.296 175.664 174.600 -0.386 0.000 0.974 292 S CA 0.273 58.293 58.200 -0.301 0.000 0.942 292 S CB -0.356 62.771 63.200 -0.121 0.000 0.766 292 S HN 0.591 nan 8.310 nan 0.000 0.536 293 W N 0.198 121.312 121.300 -0.310 0.000 3.107 293 W HA 0.394 5.027 4.660 -0.047 0.000 0.293 293 W C 0.485 177.016 176.519 0.020 0.000 1.239 293 W CA -0.682 56.356 57.345 -0.512 0.000 1.653 293 W CB -0.613 28.468 29.460 -0.631 0.000 1.068 293 W HN 0.261 nan 8.180 nan 0.000 0.615 294 Q N 2.921 122.223 119.800 -0.830 0.000 2.262 294 Q HA 0.075 4.390 4.340 -0.042 0.000 0.272 294 Q C -0.726 175.040 176.000 -0.391 0.000 1.076 294 Q CA 0.844 56.160 55.803 -0.812 0.000 0.905 294 Q CB 0.099 28.008 28.738 -1.380 0.000 1.182 294 Q HN 0.041 nan 8.270 nan 0.000 0.390 295 N N 4.768 123.309 118.700 -0.264 0.000 2.812 295 N HA 0.096 4.811 4.740 -0.042 0.000 0.262 295 N C -1.953 173.558 175.510 0.001 0.000 1.241 295 N CA -0.417 52.527 53.050 -0.177 0.000 0.854 295 N CB 0.864 39.393 38.487 0.070 0.000 1.506 295 N HN 0.385 nan 8.380 nan 0.000 0.576 296 Y N 1.019 121.367 120.300 0.079 0.000 2.326 296 Y HA 0.432 4.956 4.550 -0.044 0.000 0.337 296 Y C 0.191 176.158 175.900 0.112 0.000 1.023 296 Y CA -0.853 57.382 58.100 0.225 0.000 1.143 296 Y CB 0.328 38.861 38.460 0.121 0.000 1.183 296 Y HN 0.296 nan 8.280 nan 0.000 0.485 297 F N 3.092 123.264 119.950 0.369 0.000 2.384 297 F HA 0.247 4.749 4.527 -0.043 0.000 0.359 297 F C 0.831 176.814 175.800 0.305 0.000 1.143 297 F CA -0.939 57.191 58.000 0.217 0.000 1.216 297 F CB 0.223 39.302 39.000 0.132 0.000 1.512 297 F HN 0.487 nan 8.300 nan 0.000 0.573 298 D N 0.148 120.761 120.400 0.355 0.000 2.158 298 D HA -0.167 4.447 4.640 -0.042 0.000 0.197 298 D C 2.023 178.517 176.300 0.322 0.000 0.995 298 D CA 1.738 55.947 54.000 0.347 0.000 0.846 298 D CB -0.001 40.903 40.800 0.172 0.000 0.941 298 D HN 0.387 nan 8.370 nan 0.000 0.456 299 T N -1.043 113.634 114.554 0.205 0.000 2.852 299 T HA 0.050 4.375 4.350 -0.042 0.000 0.256 299 T C 2.022 176.753 174.700 0.052 0.000 1.038 299 T CA 1.102 63.272 62.100 0.117 0.000 1.141 299 T CB -0.504 68.402 68.868 0.064 0.000 0.869 299 T HN 0.255 nan 8.240 nan 0.000 0.439 300 G N 1.195 110.036 108.800 0.068 0.000 2.394 300 G HA2 -0.112 3.822 3.960 -0.042 0.000 0.215 300 G HA3 -0.112 3.822 3.960 -0.042 0.000 0.215 300 G C 1.430 176.301 174.900 -0.049 0.000 1.165 300 G CA 0.509 45.568 45.100 -0.069 0.000 0.784 300 G HN 0.489 nan 8.290 nan 0.000 0.535 301 E N -1.101 119.141 120.200 0.069 0.000 2.216 301 E HA 0.094 4.419 4.350 -0.042 0.000 0.192 301 E C 1.691 178.191 176.600 -0.166 0.000 0.973 301 E CA 0.397 56.747 56.400 -0.083 0.000 0.851 301 E CB 0.097 29.721 29.700 -0.128 0.000 0.804 301 E HN 0.596 nan 8.360 nan 0.000 0.477 302 Y N -0.059 120.379 120.300 0.230 0.000 2.462 302 Y HA 0.297 4.821 4.550 -0.042 0.000 0.253 302 Y C -0.007 176.084 175.900 0.318 0.000 1.095 302 Y CA -0.181 58.131 58.100 0.352 0.000 1.283 302 Y CB 0.616 39.327 38.460 0.418 0.000 1.138 302 Y HN -0.177 nan 8.280 nan 0.000 0.522 303 L N 1.061 122.459 121.223 0.292 0.000 3.162 303 L HA -0.204 4.111 4.340 -0.042 0.000 0.673 303 L C 1.159 178.113 176.870 0.140 0.000 1.045 303 L CA 0.101 55.016 54.840 0.125 0.000 1.297 303 L CB -1.577 40.501 42.059 0.032 0.000 1.732 303 L HN 0.223 nan 8.230 nan 0.000 0.855 304 V N -0.320 119.700 119.914 0.178 0.000 2.568 304 V HA -0.137 3.958 4.120 -0.042 0.000 0.253 304 V C 2.150 178.338 176.094 0.156 0.000 1.072 304 V CA 2.253 64.692 62.300 0.231 0.000 1.084 304 V CB -0.472 31.446 31.823 0.158 0.000 0.676 304 V HN 0.829 nan 8.190 nan 0.000 0.469 305 G N 1.076 109.846 108.800 -0.049 0.000 2.408 305 G HA2 -0.263 3.671 3.960 -0.042 0.000 0.217 305 G HA3 -0.263 3.671 3.960 -0.042 0.000 0.217 305 G C 1.553 176.500 174.900 0.079 0.000 1.150 305 G CA 0.905 45.925 45.100 -0.134 0.000 0.776 305 G HN 0.806 nan 8.290 nan 0.000 0.542 306 Q N -0.885 118.838 119.800 -0.130 0.000 2.224 306 Q HA -0.056 4.259 4.340 -0.042 0.000 0.203 306 Q C 1.246 177.102 176.000 -0.239 0.000 0.970 306 Q CA 0.962 56.609 55.803 -0.259 0.000 0.865 306 Q CB -0.348 28.083 28.738 -0.511 0.000 0.922 306 Q HN 0.515 nan 8.270 nan 0.000 0.445 307 Y N 1.004 121.433 120.300 0.216 0.000 2.532 307 Y HA 0.475 5.001 4.550 -0.040 0.000 0.283 307 Y C 0.649 176.703 175.900 0.257 0.000 1.181 307 Y CA -0.913 57.323 58.100 0.227 0.000 1.256 307 Y CB -0.312 38.293 38.460 0.242 0.000 1.112 307 Y HN 0.156 nan 8.280 nan 0.000 0.521 308 A N 1.031 124.073 122.820 0.369 0.000 2.511 308 A HA 0.144 4.439 4.320 -0.042 0.000 0.242 308 A C 0.356 178.116 177.584 0.294 0.000 1.069 308 A CA -0.410 51.870 52.037 0.406 0.000 0.763 308 A CB -0.035 19.195 19.000 0.384 0.000 1.001 308 A HN 0.324 nan 8.150 nan 0.000 0.498 309 N N 0.943 119.826 118.700 0.306 0.000 2.424 309 N HA 0.231 4.946 4.740 -0.042 0.000 0.257 309 N C -0.366 175.231 175.510 0.145 0.000 1.250 309 N CA -0.064 53.113 53.050 0.211 0.000 0.946 309 N CB 0.720 39.329 38.487 0.203 0.000 1.175 309 N HN 0.481 nan 8.380 nan 0.000 0.477 310 S N 0.879 116.626 115.700 0.078 0.000 2.399 310 S HA 0.315 4.759 4.470 -0.042 0.000 0.301 310 S C 0.228 174.834 174.600 0.010 0.000 1.093 310 S CA -0.630 57.577 58.200 0.012 0.000 1.077 310 S CB -0.225 62.963 63.200 -0.021 0.000 0.980 310 S HN 0.233 nan 8.310 nan 0.000 0.494 311 L N 3.964 125.206 121.223 0.031 0.000 2.418 311 L HA 0.242 4.557 4.340 -0.042 0.000 0.274 311 L C 0.538 177.412 176.870 0.007 0.000 1.135 311 L CA -0.406 54.479 54.840 0.075 0.000 0.870 311 L CB 0.223 42.417 42.059 0.226 0.000 1.154 311 L HN 0.402 nan 8.230 nan 0.000 0.462 312 E N 3.159 123.371 120.200 0.020 0.000 2.313 312 E HA 0.205 4.530 4.350 -0.042 0.000 0.276 312 E C -0.373 176.278 176.600 0.086 0.000 1.031 312 E CA -0.906 55.501 56.400 0.012 0.000 0.857 312 E CB 1.759 31.459 29.700 0.000 0.000 1.040 312 E HN 0.263 nan 8.360 nan 0.000 0.408 313 L N 2.098 123.385 121.223 0.107 0.000 2.499 313 L HA 0.224 4.539 4.340 -0.042 0.000 0.273 313 L C 1.358 178.275 176.870 0.079 0.000 1.195 313 L CA 1.848 56.782 54.840 0.156 0.000 0.882 313 L CB 0.086 42.247 42.059 0.171 0.000 1.133 313 L HN 0.796 nan 8.230 nan 0.000 0.483 314 G N 2.187 111.023 108.800 0.061 0.000 2.454 314 G HA2 -0.350 3.585 3.960 -0.042 0.000 0.225 314 G HA3 -0.350 3.585 3.960 -0.042 0.000 0.225 314 G C 0.995 175.911 174.900 0.026 0.000 1.138 314 G CA 0.331 45.452 45.100 0.035 0.000 0.667 314 G HN 0.768 nan 8.290 nan 0.000 0.512 315 C N 0.306 119.622 119.300 0.026 0.000 2.541 315 C HA 0.303 4.738 4.460 -0.042 0.000 0.284 315 C C 2.223 177.217 174.990 0.006 0.000 1.341 315 C CA 1.387 60.410 59.018 0.009 0.000 1.732 315 C CB -0.582 27.157 27.740 -0.001 0.000 2.126 315 C HN 0.570 nan 8.230 nan 0.000 0.505 316 D N -0.409 120.006 120.400 0.024 0.000 2.323 316 D HA 0.082 4.697 4.640 -0.042 0.000 0.218 316 D C 0.124 176.469 176.300 0.076 0.000 0.973 316 D CA 0.959 54.980 54.000 0.035 0.000 0.890 316 D CB 0.273 41.101 40.800 0.046 0.000 1.011 316 D HN 0.393 nan 8.370 nan 0.000 0.499 317 c N 1.838 120.471 118.600 0.056 0.000 2.381 317 c HA 0.499 5.043 4.570 -0.042 0.000 0.328 317 c C -0.420 173.620 174.090 -0.085 0.000 1.190 317 c CA -1.048 55.251 56.329 -0.049 0.000 1.369 317 c CB 0.935 43.383 42.510 -0.103 0.000 2.029 317 c HN 0.168 nan 8.230 nan 0.000 0.448 318 L N 4.083 125.247 121.223 -0.098 0.000 2.322 318 L HA 0.956 5.271 4.340 -0.042 0.000 0.279 318 L C 0.556 177.392 176.870 -0.057 0.000 1.036 318 L CA 1.819 56.633 54.840 -0.044 0.000 0.807 318 L CB 1.016 43.081 42.059 0.011 0.000 1.226 318 L HN 1.104 nan 8.230 nan 0.000 0.433 319 G N 3.369 112.162 108.800 -0.011 0.000 2.416 319 G HA2 -0.164 3.771 3.960 -0.042 0.000 0.203 319 G HA3 -0.164 3.771 3.960 -0.042 0.000 0.203 319 G C -0.977 173.932 174.900 0.015 0.000 1.227 319 G CA -0.162 44.953 45.100 0.026 0.000 1.041 319 G HN 0.747 nan 8.290 nan 0.000 0.546 320 D N 1.481 121.915 120.400 0.056 0.000 2.411 320 D HA 0.427 5.042 4.640 -0.042 0.000 0.225 320 D C 0.227 176.564 176.300 0.061 0.000 1.156 320 D CA -0.213 53.820 54.000 0.054 0.000 0.874 320 D CB 0.069 40.911 40.800 0.070 0.000 1.034 320 D HN 0.349 nan 8.370 nan 0.000 0.502 321 I N 2.520 123.066 120.570 -0.040 0.000 2.392 321 I HA 0.220 4.364 4.170 -0.042 0.000 0.295 321 I C 0.705 176.739 176.117 -0.139 0.000 0.985 321 I CA -0.490 60.708 61.300 -0.170 0.000 1.221 321 I CB 1.538 39.252 38.000 -0.478 0.000 1.366 321 I HN 0.121 nan 8.210 nan 0.000 0.467 322 T N 6.218 120.740 114.554 -0.053 0.000 2.786 322 T HA 0.515 4.840 4.350 -0.042 0.000 0.283 322 T C -0.609 174.037 174.700 -0.091 0.000 0.992 322 T CA -0.285 61.847 62.100 0.053 0.000 0.954 322 T CB 0.573 69.641 68.868 0.335 0.000 0.934 322 T HN 0.159 nan 8.240 nan 0.000 0.440 323 Y N 2.020 122.377 120.300 0.095 0.000 2.419 323 Y HA 0.644 5.168 4.550 -0.042 0.000 0.328 323 Y C 0.209 176.132 175.900 0.037 0.000 1.162 323 Y CA -1.248 56.885 58.100 0.055 0.000 1.174 323 Y CB 1.069 39.549 38.460 0.033 0.000 1.228 323 Y HN 0.352 nan 8.280 nan 0.000 0.473 324 L N 1.476 122.821 121.223 0.204 0.000 2.365 324 L HA 0.488 4.803 4.340 -0.042 0.000 0.273 324 L C -0.632 176.251 176.870 0.021 0.000 1.000 324 L CA -0.630 54.260 54.840 0.083 0.000 0.819 324 L CB 1.996 44.077 42.059 0.035 0.000 1.284 324 L HN 0.541 nan 8.230 nan 0.000 0.418 325 S N 3.712 119.394 115.700 -0.030 0.000 2.426 325 S HA 0.338 4.783 4.470 -0.042 0.000 0.236 325 S C -2.285 172.226 174.600 -0.148 0.000 1.368 325 S CA -1.066 57.076 58.200 -0.097 0.000 1.154 325 S CB 0.805 63.967 63.200 -0.063 0.000 1.037 325 S HN 0.389 nan 8.310 nan 0.000 0.481 326 P HA 0.178 nan 4.420 nan 0.000 0.270 326 P C -0.773 176.416 177.300 -0.186 0.000 1.223 326 P CA -0.277 62.636 63.100 -0.311 0.000 0.785 326 P CB 0.677 31.874 31.700 -0.839 0.000 0.923 327 V N 3.221 123.093 119.914 -0.070 0.000 2.487 327 V HA 0.388 4.483 4.120 -0.042 0.000 0.298 327 V C 0.627 176.735 176.094 0.022 0.000 1.028 327 V CA -0.563 61.723 62.300 -0.024 0.000 0.860 327 V CB 1.162 32.985 31.823 0.000 0.000 0.991 327 V HN 0.452 nan 8.190 nan 0.000 0.427 328 I N 1.351 121.927 120.570 0.010 0.000 3.237 328 I HA 0.808 4.953 4.170 -0.042 0.000 0.308 328 I C -0.009 176.096 176.117 -0.020 0.000 1.093 328 I CA -0.658 60.650 61.300 0.013 0.000 1.001 328 I CB 2.210 40.222 38.000 0.020 0.000 1.245 328 I HN 0.507 nan 8.210 nan 0.000 0.485 329 S N 0.799 116.469 115.700 -0.050 0.000 2.565 329 S HA 0.378 4.823 4.470 -0.042 0.000 0.290 329 S C -0.629 173.926 174.600 -0.075 0.000 1.150 329 S CA -0.613 57.550 58.200 -0.060 0.000 1.058 329 S CB 0.842 63.994 63.200 -0.080 0.000 1.032 329 S HN 0.801 nan 8.310 nan 0.000 0.510 330 D N 2.493 122.853 120.400 -0.067 0.000 2.478 330 D HA 0.423 5.038 4.640 -0.042 0.000 0.274 330 D C 1.239 177.422 176.300 -0.195 0.000 1.234 330 D CA -0.164 53.771 54.000 -0.108 0.000 1.069 330 D CB -0.036 40.727 40.800 -0.062 0.000 1.113 330 D HN 0.474 nan 8.370 nan 0.000 0.571 331 A N -1.152 121.441 122.820 -0.379 0.000 2.125 331 A HA -0.037 4.258 4.320 -0.042 0.000 0.219 331 A C 1.263 178.498 177.584 -0.582 0.000 1.156 331 A CA 0.810 52.518 52.037 -0.547 0.000 0.671 331 A CB -0.871 17.669 19.000 -0.766 0.000 0.794 331 A HN 0.439 nan 8.150 nan 0.000 0.459 332 F N -1.434 118.515 119.950 -0.001 0.000 2.654 332 F HA 0.432 4.933 4.527 -0.042 0.000 0.303 332 F C 1.670 177.460 175.800 -0.017 0.000 1.099 332 F CA -0.186 57.812 58.000 -0.004 0.000 1.270 332 F CB -0.051 38.947 39.000 -0.005 0.000 1.024 332 F HN 0.275 nan 8.300 nan 0.000 0.548 333 G N 0.180 109.016 108.800 0.061 0.000 2.176 333 G HA2 -0.269 3.666 3.960 -0.042 0.000 0.253 333 G HA3 -0.269 3.666 3.960 -0.042 0.000 0.253 333 G C 0.168 175.075 174.900 0.013 0.000 0.979 333 G CA -0.364 44.748 45.100 0.020 0.000 0.641 333 G HN 0.300 nan 8.290 nan 0.000 0.530 334 N N 2.118 120.845 118.700 0.046 0.000 2.529 334 N HA 0.391 5.106 4.740 -0.042 0.000 0.278 334 N C -2.482 173.029 175.510 0.001 0.000 1.146 334 N CA -0.964 52.104 53.050 0.030 0.000 0.980 334 N CB 1.654 40.180 38.487 0.065 0.000 1.124 334 N HN 0.213 nan 8.380 nan 0.000 0.458 335 P HA 0.170 nan 4.420 nan 0.000 0.276 335 P C -0.604 176.692 177.300 -0.007 0.000 1.230 335 P CA -0.062 63.029 63.100 -0.015 0.000 0.776 335 P CB 1.292 32.981 31.700 -0.018 0.000 0.888 336 R N 2.036 122.529 120.500 -0.012 0.000 2.561 336 R HA 0.271 4.585 4.340 -0.042 0.000 0.297 336 R C -0.494 175.793 176.300 -0.021 0.000 0.969 336 R CA -0.618 55.475 56.100 -0.010 0.000 0.879 336 R CB 1.625 31.920 30.300 -0.009 0.000 1.178 336 R HN 0.512 nan 8.270 nan 0.000 0.445 337 E N 5.217 125.402 120.200 -0.025 0.000 2.216 337 E HA 0.203 4.528 4.350 -0.042 0.000 0.279 337 E C -0.657 175.909 176.600 -0.057 0.000 0.997 337 E CA -0.539 55.834 56.400 -0.045 0.000 0.817 337 E CB 0.994 30.672 29.700 -0.037 0.000 1.096 337 E HN 0.539 nan 8.360 nan 0.000 0.393 338 I N 5.441 125.950 120.570 -0.101 0.000 2.316 338 I HA 0.216 4.360 4.170 -0.042 0.000 0.286 338 I C 0.698 176.746 176.117 -0.116 0.000 1.107 338 I CA -0.437 60.799 61.300 -0.107 0.000 1.219 338 I CB 0.333 38.225 38.000 -0.180 0.000 1.455 338 I HN 0.308 nan 8.210 nan 0.000 0.498 339 R N 6.089 126.538 120.500 -0.085 0.000 2.484 339 R HA -0.027 4.288 4.340 -0.042 0.000 0.293 339 R C 0.120 176.330 176.300 -0.150 0.000 1.023 339 R CA 0.292 56.328 56.100 -0.105 0.000 1.037 339 R CB 0.251 30.496 30.300 -0.091 0.000 0.951 339 R HN 0.627 nan 8.270 nan 0.000 0.418 340 N N 2.310 120.890 118.700 -0.200 0.000 2.735 340 N HA -0.170 4.545 4.740 -0.042 0.000 0.248 340 N C 0.611 176.081 175.510 -0.067 0.000 1.083 340 N CA 1.176 54.023 53.050 -0.339 0.000 0.703 340 N CB -1.338 36.699 38.487 -0.751 0.000 1.005 340 N HN 0.880 nan 8.380 nan 0.000 0.550 341 G N -1.094 107.684 108.800 -0.037 0.000 2.572 341 G HA2 0.244 4.178 3.960 -0.042 0.000 0.216 341 G HA3 0.244 4.178 3.960 -0.042 0.000 0.216 341 G C 0.496 175.455 174.900 0.099 0.000 1.133 341 G CA 0.317 45.411 45.100 -0.010 0.000 0.791 341 G HN 0.446 nan 8.290 nan 0.000 0.538 342 I N 0.000 120.658 120.570 0.147 0.000 2.533 342 I HA 0.315 4.459 4.170 -0.042 0.000 0.290 342 I C -0.893 175.366 176.117 0.237 0.000 1.056 342 I CA -0.923 60.488 61.300 0.186 0.000 1.057 342 I CB 2.636 40.684 38.000 0.079 0.000 1.240 342 I HN -0.216 nan 8.210 nan 0.000 0.423 343 c N 6.707 125.400 118.600 0.155 0.000 2.329 343 c HA 0.676 5.220 4.570 -0.042 0.000 0.329 343 c C 0.003 174.101 174.090 0.013 0.000 1.275 343 c CA -0.494 55.833 56.329 -0.003 0.000 1.726 343 c CB 0.542 43.078 42.510 0.043 0.000 2.291 343 c HN 0.651 nan 8.230 nan 0.000 0.514 344 M N 6.057 125.625 119.600 -0.054 0.000 2.204 344 M HA 0.485 4.940 4.480 -0.042 0.000 0.293 344 M C -0.677 175.609 176.300 -0.024 0.000 0.994 344 M CA -0.101 55.115 55.300 -0.139 0.000 0.925 344 M CB 1.625 34.066 32.600 -0.265 0.000 1.577 344 M HN 0.937 nan 8.290 nan 0.000 0.439 345 H N 1.050 119.912 119.070 -0.346 0.000 2.950 345 H HA 0.478 5.009 4.556 -0.042 0.000 0.307 345 H C -2.030 173.170 175.328 -0.213 0.000 1.403 345 H CA -1.160 54.836 56.048 -0.087 0.000 1.145 345 H CB 0.939 30.709 29.762 0.013 0.000 1.844 345 H HN 0.706 nan 8.280 nan 0.000 0.515 346 E N 0.980 121.145 120.200 -0.058 0.000 2.183 346 E HA 0.495 4.820 4.350 -0.042 0.000 0.271 346 E C -0.931 175.658 176.600 -0.018 0.000 0.919 346 E CA -0.938 55.347 56.400 -0.190 0.000 0.781 346 E CB 2.592 32.358 29.700 0.110 0.000 1.140 346 E HN 0.693 nan 8.360 nan 0.000 0.402 347 E N 2.305 122.463 120.200 -0.070 0.000 2.288 347 E HA 0.269 4.594 4.350 -0.042 0.000 0.268 347 E C -1.217 175.491 176.600 0.180 0.000 0.885 347 E CA -1.065 55.386 56.400 0.086 0.000 0.767 347 E CB 1.595 31.346 29.700 0.086 0.000 1.220 347 E HN 0.528 nan 8.360 nan 0.000 0.427 348 D N 1.569 122.098 120.400 0.215 0.000 2.443 348 D HA -0.095 4.519 4.640 -0.042 0.000 0.239 348 D C -0.965 175.562 176.300 0.378 0.000 1.136 348 D CA 0.215 54.360 54.000 0.241 0.000 0.879 348 D CB 0.514 41.407 40.800 0.156 0.000 1.195 348 D HN 0.542 nan 8.370 nan 0.000 0.443 349 W N 5.770 127.114 121.300 0.073 0.000 1.340 349 W HA 0.370 5.004 4.660 -0.042 0.000 0.301 349 W C 0.331 176.875 176.519 0.042 0.000 0.834 349 W CA 0.023 57.406 57.345 0.064 0.000 2.473 349 W CB 0.117 29.664 29.460 0.145 0.000 1.837 349 W HN 0.854 nan 8.180 nan 0.000 0.528 350 G N 1.936 110.689 108.800 -0.078 0.000 2.552 350 G HA2 -0.331 3.604 3.960 -0.042 0.000 0.265 350 G HA3 -0.331 3.604 3.960 -0.042 0.000 0.265 350 G C -0.448 174.430 174.900 -0.037 0.000 1.234 350 G CA -0.013 45.008 45.100 -0.132 0.000 0.944 350 G HN 0.075 nan 8.290 nan 0.000 0.568 351 I N 1.415 121.948 120.570 -0.062 0.000 2.395 351 I HA 0.274 4.418 4.170 -0.042 0.000 0.289 351 I C 1.509 177.634 176.117 0.014 0.000 1.023 351 I CA -0.206 61.080 61.300 -0.023 0.000 1.350 351 I CB 0.873 38.850 38.000 -0.038 0.000 1.409 351 I HN 0.630 nan 8.210 nan 0.000 0.507 352 L N 6.542 127.789 121.223 0.040 0.000 2.200 352 L HA 0.469 4.784 4.340 -0.042 0.000 0.200 352 L C 0.629 177.536 176.870 0.062 0.000 1.072 352 L CA 1.071 55.954 54.840 0.072 0.000 0.787 352 L CB 0.086 42.200 42.059 0.091 0.000 0.957 352 L HN 0.692 nan 8.230 nan 0.000 0.459 353 A N -0.415 122.444 122.820 0.065 0.000 2.547 353 A HA 0.652 4.947 4.320 -0.042 0.000 0.297 353 A C -1.098 176.566 177.584 0.133 0.000 1.056 353 A CA -0.606 51.502 52.037 0.118 0.000 0.688 353 A CB 1.116 20.240 19.000 0.206 0.000 1.282 353 A HN 0.064 nan 8.150 nan 0.000 0.400 354 K N 1.112 121.611 120.400 0.164 0.000 2.550 354 K HA 0.571 4.866 4.320 -0.042 0.000 0.252 354 K C -2.205 174.541 176.600 0.244 0.000 0.943 354 K CA -0.508 55.884 56.287 0.176 0.000 0.806 354 K CB 1.689 34.230 32.500 0.069 0.000 1.289 354 K HN 1.022 nan 8.250 nan 0.000 0.435 355 H N 0.493 119.649 119.070 0.143 0.000 3.099 355 H HA 0.370 4.900 4.556 -0.042 0.000 0.342 355 H C -1.852 173.509 175.328 0.055 0.000 1.054 355 H CA -0.342 55.744 56.048 0.063 0.000 1.328 355 H CB 1.866 31.640 29.762 0.020 0.000 1.876 355 H HN 0.416 nan 8.280 nan 0.000 0.495 356 S N 4.193 119.603 115.700 -0.482 0.000 2.532 356 S HA 0.155 4.600 4.470 -0.042 0.000 0.318 356 S C -0.730 173.437 174.600 -0.722 0.000 1.083 356 S CA -0.646 57.311 58.200 -0.405 0.000 1.131 356 S CB 0.313 63.391 63.200 -0.203 0.000 0.973 356 S HN 0.662 nan 8.310 nan 0.000 0.468 357 D N 2.261 122.289 120.400 -0.620 0.000 2.280 357 D HA 0.295 4.910 4.640 -0.042 0.000 0.243 357 D C 0.996 177.176 176.300 -0.200 0.000 1.129 357 D CA -0.613 53.125 54.000 -0.437 0.000 0.848 357 D CB 0.837 41.559 40.800 -0.130 0.000 1.107 357 D HN 0.261 nan 8.370 nan 0.000 0.471 358 L N 5.569 126.653 121.223 -0.232 0.000 1.976 358 L HA -0.040 4.275 4.340 -0.042 0.000 0.209 358 L C 1.468 178.361 176.870 0.038 0.000 1.071 358 L CA 1.626 56.379 54.840 -0.145 0.000 0.746 358 L CB -0.636 41.262 42.059 -0.267 0.000 0.890 358 L HN 0.601 nan 8.230 nan 0.000 0.432 359 W N 0.130 121.431 121.300 0.002 0.000 2.342 359 W HA -0.158 4.477 4.660 -0.042 0.000 0.297 359 W C 2.977 179.497 176.519 0.002 0.000 1.213 359 W CA 1.737 59.085 57.345 0.005 0.000 1.251 359 W CB -1.794 27.675 29.460 0.015 0.000 1.136 359 W HN 0.592 nan 8.180 nan 0.000 0.526 360 S N -1.472 114.354 115.700 0.210 0.000 2.492 360 S HA 0.331 4.776 4.470 -0.042 0.000 0.218 360 S C 1.804 176.445 174.600 0.068 0.000 1.016 360 S CA 0.803 59.077 58.200 0.122 0.000 0.916 360 S CB 0.070 63.332 63.200 0.103 0.000 0.791 360 S HN 0.413 nan 8.310 nan 0.000 0.513 361 G N 1.268 110.093 108.800 0.043 0.000 2.184 361 G HA2 -0.242 3.692 3.960 -0.042 0.000 0.264 361 G HA3 -0.242 3.692 3.960 -0.042 0.000 0.264 361 G C 0.028 174.930 174.900 0.003 0.000 0.975 361 G CA 0.345 45.454 45.100 0.016 0.000 0.642 361 G HN 0.599 nan 8.290 nan 0.000 0.536 362 I N 1.360 121.934 120.570 0.006 0.000 2.371 362 I HA 0.251 4.396 4.170 -0.042 0.000 0.290 362 I C -0.394 175.721 176.117 -0.003 0.000 1.028 362 I CA -0.636 60.675 61.300 0.019 0.000 1.345 362 I CB 0.883 38.907 38.000 0.038 0.000 1.407 362 I HN -0.035 nan 8.210 nan 0.000 0.501 363 N N 6.616 125.329 118.700 0.023 0.000 2.446 363 N HA 0.272 4.987 4.740 -0.042 0.000 0.265 363 N C -1.294 174.283 175.510 0.110 0.000 0.975 363 N CA -0.431 52.630 53.050 0.018 0.000 0.928 363 N CB 1.473 39.952 38.487 -0.013 0.000 1.160 363 N HN 0.438 nan 8.380 nan 0.000 0.495 364 Y N 1.330 121.616 120.300 -0.023 0.000 2.364 364 Y HA 0.512 5.037 4.550 -0.042 0.000 0.340 364 Y C -0.796 175.111 175.900 0.012 0.000 0.975 364 Y CA -0.283 57.822 58.100 0.007 0.000 1.089 364 Y CB 1.468 39.948 38.460 0.034 0.000 1.192 364 Y HN 0.303 nan 8.280 nan 0.000 0.454 365 T N 6.828 121.173 114.554 -0.348 0.000 2.971 365 T HA 0.553 4.878 4.350 -0.042 0.000 0.304 365 T C -1.253 173.194 174.700 -0.423 0.000 1.038 365 T CA -1.008 60.922 62.100 -0.283 0.000 1.007 365 T CB 1.143 69.937 68.868 -0.124 0.000 1.055 365 T HN 0.406 nan 8.240 nan 0.000 0.451 366 R N 1.791 122.105 120.500 -0.311 0.000 2.750 366 R HA 0.560 4.875 4.340 -0.042 0.000 0.281 366 R C -0.409 175.850 176.300 -0.069 0.000 0.972 366 R CA -0.872 55.102 56.100 -0.211 0.000 0.912 366 R CB 2.088 32.273 30.300 -0.192 0.000 1.187 366 R HN 0.550 nan 8.270 nan 0.000 0.464 367 R N 1.065 121.550 120.500 -0.025 0.000 2.486 367 R HA 0.352 4.667 4.340 -0.042 0.000 0.286 367 R C 0.121 176.479 176.300 0.098 0.000 0.999 367 R CA -0.590 55.529 56.100 0.032 0.000 0.993 367 R CB 1.508 31.830 30.300 0.037 0.000 1.084 367 R HN 0.570 nan 8.270 nan 0.000 0.487 368 N N 0.519 119.313 118.700 0.157 0.000 2.458 368 N HA 0.357 5.072 4.740 -0.042 0.000 0.271 368 N C -0.773 174.943 175.510 0.344 0.000 1.210 368 N CA -0.495 52.717 53.050 0.270 0.000 0.978 368 N CB 1.035 39.730 38.487 0.347 0.000 1.206 368 N HN 0.289 nan 8.380 nan 0.000 0.536 369 R N -0.016 120.746 120.500 0.437 0.000 2.663 369 R HA 0.344 4.659 4.340 -0.042 0.000 0.267 369 R C -1.407 175.154 176.300 0.434 0.000 1.038 369 R CA -0.823 55.547 56.100 0.449 0.000 0.886 369 R CB 2.025 32.645 30.300 0.533 0.000 1.249 369 R HN 0.632 nan 8.270 nan 0.000 0.463 370 R N 2.111 122.649 120.500 0.063 0.000 2.621 370 R HA 0.453 4.768 4.340 -0.042 0.000 0.284 370 R C -1.312 174.538 176.300 -0.750 0.000 0.998 370 R CA -0.949 54.874 56.100 -0.462 0.000 0.895 370 R CB 1.843 31.529 30.300 -1.024 0.000 1.195 370 R HN 0.465 nan 8.270 nan 0.000 0.450 371 M N 3.326 122.168 119.600 -1.263 0.000 2.216 371 M HA 0.290 4.745 4.480 -0.042 0.000 0.356 371 M C -1.483 174.323 176.300 -0.823 0.000 1.205 371 M CA -0.431 54.034 55.300 -1.392 0.000 1.122 371 M CB 1.480 33.025 32.600 -1.759 0.000 1.571 371 M HN 0.488 nan 8.290 nan 0.000 0.464 372 V N 6.646 126.126 119.914 -0.722 0.000 2.495 372 V HA 0.578 4.672 4.120 -0.042 0.000 0.298 372 V C -0.547 175.341 176.094 -0.344 0.000 1.031 372 V CA -0.739 61.293 62.300 -0.447 0.000 0.871 372 V CB 1.651 33.210 31.823 -0.439 0.000 0.988 372 V HN 0.657 nan 8.190 nan 0.000 0.432 373 I N 4.491 124.935 120.570 -0.210 0.000 2.439 373 I HA 0.587 4.731 4.170 -0.042 0.000 0.283 373 I C 0.073 176.208 176.117 0.031 0.000 1.023 373 I CA 0.012 61.260 61.300 -0.087 0.000 1.100 373 I CB 1.411 39.366 38.000 -0.074 0.000 1.238 373 I HN 0.820 nan 8.210 nan 0.000 0.445 374 S N 6.086 121.813 115.700 0.045 0.000 2.627 374 S HA 0.923 5.368 4.470 -0.042 0.000 0.283 374 S C -0.889 173.804 174.600 0.156 0.000 1.127 374 S CA -0.663 57.504 58.200 -0.056 0.000 0.863 374 S CB 3.033 65.955 63.200 -0.464 0.000 1.121 374 S HN 0.443 nan 8.310 nan 0.000 0.479 375 F N -1.091 118.810 119.950 -0.081 0.000 2.668 375 F HA 0.873 5.374 4.527 -0.042 0.000 0.309 375 F C -2.161 173.683 175.800 0.074 0.000 1.117 375 F CA -1.639 56.400 58.000 0.065 0.000 0.951 375 F CB 0.963 40.049 39.000 0.144 0.000 1.323 375 F HN 0.593 nan 8.300 nan 0.000 0.451 376 F N 1.320 121.286 119.950 0.027 0.000 2.507 376 F HA 0.673 5.174 4.527 -0.043 0.000 0.325 376 F C -0.050 175.843 175.800 0.155 0.000 1.116 376 F CA -0.385 57.611 58.000 -0.006 0.000 0.930 376 F CB 2.190 41.231 39.000 0.069 0.000 1.146 376 F HN 0.870 nan 8.300 nan 0.000 0.447 377 T N 2.279 116.993 114.554 0.267 0.000 2.924 377 T HA 0.658 4.983 4.350 -0.042 0.000 0.291 377 T C -1.060 173.872 174.700 0.388 0.000 1.045 377 T CA -0.318 62.015 62.100 0.389 0.000 1.015 377 T CB 1.317 70.412 68.868 0.379 0.000 1.103 377 T HN 0.565 nan 8.240 nan 0.000 0.496 378 T N 3.600 118.360 114.554 0.345 0.000 2.840 378 T HA 0.586 4.911 4.350 -0.042 0.000 0.287 378 T C -0.888 173.884 174.700 0.121 0.000 0.991 378 T CA -0.330 61.895 62.100 0.208 0.000 0.964 378 T CB 0.509 69.473 68.868 0.161 0.000 0.954 378 T HN 0.409 nan 8.240 nan 0.000 0.438 379 I N 3.622 124.215 120.570 0.038 0.000 2.595 379 I HA 0.516 4.661 4.170 -0.042 0.000 0.275 379 I C 1.022 176.998 176.117 -0.236 0.000 1.092 379 I CA 0.292 61.518 61.300 -0.123 0.000 1.145 379 I CB 0.649 38.649 38.000 -0.000 0.000 1.276 379 I HN 0.944 nan 8.210 nan 0.000 0.497 380 G N 5.327 113.970 108.800 -0.261 0.000 2.557 380 G HA2 -0.307 3.628 3.960 -0.042 0.000 0.292 380 G HA3 -0.307 3.628 3.960 -0.042 0.000 0.292 380 G C 0.329 175.118 174.900 -0.185 0.000 1.162 380 G CA 0.323 45.310 45.100 -0.188 0.000 0.964 380 G HN 0.695 nan 8.290 nan 0.000 0.541 384 Y N 0.046 120.398 120.300 0.086 0.000 2.406 384 Y HA 0.680 5.205 4.550 -0.041 0.000 0.340 384 Y C 0.648 176.011 175.900 -0.896 0.000 0.975 384 Y CA -1.093 56.895 58.100 -0.186 0.000 1.056 384 Y CB 2.587 41.169 38.460 0.204 0.000 1.210 384 Y HN 0.457 nan 8.280 nan 0.000 0.448 385 G N 2.336 110.479 108.800 -1.094 0.000 2.343 385 G HA2 0.579 4.514 3.960 -0.042 0.000 0.319 385 G HA3 0.579 4.514 3.960 -0.042 0.000 0.319 385 G C -1.666 172.976 174.900 -0.429 0.000 1.126 385 G CA -0.361 44.001 45.100 -1.230 0.000 0.889 385 G HN 0.307 nan 8.290 nan 0.000 0.457 386 F N 1.585 121.002 119.950 -0.889 0.000 2.402 386 F HA 0.488 4.990 4.527 -0.043 0.000 0.355 386 F C -0.671 174.764 175.800 -0.608 0.000 1.123 386 F CA -1.121 56.592 58.000 -0.479 0.000 1.021 386 F CB 1.675 40.472 39.000 -0.337 0.000 1.160 386 F HN 0.313 nan 8.300 nan 0.000 0.451 387 Y N 1.465 121.458 120.300 -0.512 0.000 2.376 387 Y HA 0.450 4.975 4.550 -0.043 0.000 0.340 387 Y C -1.065 174.173 175.900 -1.103 0.000 0.965 387 Y CA -1.485 56.192 58.100 -0.705 0.000 1.078 387 Y CB 1.392 39.359 38.460 -0.821 0.000 1.193 387 Y HN 0.508 nan 8.280 nan 0.000 0.452 388 W N 3.384 124.342 121.300 -0.569 0.000 2.587 388 W HA 0.624 5.259 4.660 -0.042 0.000 0.324 388 W C -1.484 174.578 176.519 -0.760 0.000 1.040 388 W CA -0.791 56.243 57.345 -0.518 0.000 1.222 388 W CB 1.211 30.538 29.460 -0.222 0.000 1.381 388 W HN 0.331 nan 8.180 nan 0.000 0.483 389 Y N 3.010 123.186 120.300 -0.207 0.000 2.425 389 Y HA 0.641 5.166 4.550 -0.042 0.000 0.344 389 Y C -0.317 175.217 175.900 -0.610 0.000 0.969 389 Y CA -1.469 56.297 58.100 -0.556 0.000 1.052 389 Y CB 1.169 39.150 38.460 -0.800 0.000 1.215 389 Y HN 0.060 nan 8.280 nan 0.000 0.451 390 L N 4.057 124.899 121.223 -0.635 0.000 2.333 390 L HA 0.540 4.855 4.340 -0.042 0.000 0.280 390 L C -1.227 175.423 176.870 -0.366 0.000 1.004 390 L CA -0.899 53.515 54.840 -0.710 0.000 0.820 390 L CB 1.291 42.593 42.059 -1.262 0.000 1.247 390 L HN 0.588 nan 8.230 nan 0.000 0.416 391 Y N 1.845 122.292 120.300 0.245 0.000 2.457 391 Y HA 0.316 4.840 4.550 -0.042 0.000 0.333 391 Y C 1.180 177.543 175.900 0.773 0.000 1.119 391 Y CA -0.730 57.637 58.100 0.444 0.000 1.143 391 Y CB 1.518 40.130 38.460 0.254 0.000 1.230 391 Y HN 0.445 nan 8.280 nan 0.000 0.469 392 L N 0.885 122.557 121.223 0.748 0.000 2.089 392 L HA -0.251 4.064 4.340 -0.042 0.000 0.213 392 L C 1.779 178.884 176.870 0.393 0.000 1.079 392 L CA 1.936 57.058 54.840 0.470 0.000 0.758 392 L CB -0.294 41.927 42.059 0.270 0.000 0.891 392 L HN 0.784 nan 8.230 nan 0.000 0.433 393 D N -0.559 120.049 120.400 0.345 0.000 2.363 393 D HA -0.031 4.584 4.640 -0.042 0.000 0.226 393 D C 1.405 177.780 176.300 0.124 0.000 1.020 393 D CA 0.949 55.039 54.000 0.150 0.000 0.892 393 D CB 0.292 41.158 40.800 0.109 0.000 0.900 393 D HN 0.380 nan 8.370 nan 0.000 0.531 394 G N -0.414 108.630 108.800 0.407 0.000 2.176 394 G HA2 -0.234 3.701 3.960 -0.042 0.000 0.232 394 G HA3 -0.234 3.701 3.960 -0.042 0.000 0.232 394 G C 0.357 175.728 174.900 0.784 0.000 0.986 394 G CA 0.200 45.584 45.100 0.474 0.000 0.643 394 G HN 0.447 nan 8.290 nan 0.000 0.522 395 T N 1.151 116.097 114.554 0.653 0.000 2.907 395 T HA 0.579 4.904 4.350 -0.042 0.000 0.298 395 T C 0.474 175.546 174.700 0.619 0.000 1.017 395 T CA 0.426 62.864 62.100 0.564 0.000 1.118 395 T CB 1.414 70.467 68.868 0.309 0.000 0.948 395 T HN 0.334 nan 8.240 nan 0.000 0.531 396 I N 2.465 123.320 120.570 0.476 0.000 2.433 396 I HA 0.475 4.620 4.170 -0.042 0.000 0.292 396 I C 0.107 176.370 176.117 0.244 0.000 1.001 396 I CA -0.575 60.891 61.300 0.277 0.000 1.119 396 I CB 1.863 40.000 38.000 0.227 0.000 1.289 396 I HN 0.599 nan 8.210 nan 0.000 0.438 397 E N 5.588 125.879 120.200 0.152 0.000 2.340 397 E HA 0.492 4.817 4.350 -0.042 0.000 0.273 397 E C -1.991 174.443 176.600 -0.277 0.000 0.891 397 E CA -0.660 55.731 56.400 -0.016 0.000 0.757 397 E CB 2.581 32.408 29.700 0.212 0.000 1.231 397 E HN 0.405 nan 8.360 nan 0.000 0.439 398 F N 2.448 121.837 119.950 -0.935 0.000 2.532 398 F HA 0.521 5.022 4.527 -0.043 0.000 0.321 398 F C -1.208 174.051 175.800 -0.901 0.000 1.089 398 F CA -0.608 56.629 58.000 -1.271 0.000 0.926 398 F CB 1.790 39.689 39.000 -1.836 0.000 1.168 398 F HN 0.506 nan 8.300 nan 0.000 0.459 399 E N 4.242 123.229 120.200 -2.022 0.000 2.278 399 E HA 0.673 4.997 4.350 -0.042 0.000 0.272 399 E C -1.936 173.764 176.600 -1.499 0.000 0.890 399 E CA -0.921 54.669 56.400 -1.350 0.000 0.770 399 E CB 1.721 31.117 29.700 -0.507 0.000 1.212 399 E HN 0.879 nan 8.360 nan 0.000 0.415 400 A N 4.454 126.595 122.820 -1.132 0.000 2.305 400 A HA 0.570 4.864 4.320 -0.042 0.000 0.322 400 A C -0.785 176.573 177.584 -0.376 0.000 1.187 400 A CA -0.669 50.891 52.037 -0.796 0.000 0.825 400 A CB 0.829 19.206 19.000 -1.038 0.000 1.164 400 A HN 0.553 nan 8.150 nan 0.000 0.498 401 K N 1.577 121.866 120.400 -0.185 0.000 2.394 401 K HA 0.571 4.866 4.320 -0.042 0.000 0.260 401 K C -0.657 175.979 176.600 0.061 0.000 0.967 401 K CA -0.297 55.969 56.287 -0.035 0.000 0.855 401 K CB 2.132 34.662 32.500 0.050 0.000 1.101 401 K HN 0.740 nan 8.250 nan 0.000 0.433 402 A N 2.911 125.787 122.820 0.093 0.000 2.260 402 A HA 0.597 4.891 4.320 -0.042 0.000 0.314 402 A C -0.132 177.459 177.584 0.011 0.000 1.257 402 A CA -0.194 51.886 52.037 0.071 0.000 0.871 402 A CB 0.492 19.509 19.000 0.028 0.000 1.166 402 A HN 0.715 nan 8.150 nan 0.000 0.522 403 T N 0.324 114.855 114.554 -0.038 0.000 2.550 403 T HA 0.919 5.243 4.350 -0.042 0.000 0.256 403 T C 0.674 175.298 174.700 -0.126 0.000 0.866 403 T CA 0.044 62.126 62.100 -0.031 0.000 1.163 403 T CB 0.674 69.574 68.868 0.054 0.000 1.460 403 T HN 2.371 nan 8.240 nan 0.000 0.498 404 G N -0.331 108.387 108.800 -0.135 0.000 2.472 404 G HA2 0.081 4.016 3.960 -0.042 0.000 0.205 404 G HA3 0.081 4.016 3.960 -0.042 0.000 0.205 404 G C -1.308 173.456 174.900 -0.227 0.000 1.270 404 G CA -0.396 44.586 45.100 -0.196 0.000 0.974 404 G HN 1.062 nan 8.290 nan 0.000 0.542 405 V N 1.035 120.771 119.914 -0.297 0.000 2.555 405 V HA 0.636 4.731 4.120 -0.042 0.000 0.302 405 V C 1.134 177.106 176.094 -0.204 0.000 1.038 405 V CA -0.135 62.006 62.300 -0.265 0.000 0.887 405 V CB 1.305 32.891 31.823 -0.397 0.000 0.991 405 V HN 1.678 nan 8.190 nan 0.000 0.434 406 V N 1.947 121.896 119.914 0.059 0.000 2.999 406 V HA 0.302 4.397 4.120 -0.042 0.000 0.307 406 V C -0.164 175.999 176.094 0.115 0.000 1.084 406 V CA -0.224 62.169 62.300 0.155 0.000 1.155 406 V CB 0.129 32.128 31.823 0.293 0.000 0.975 406 V HN 0.636 nan 8.190 nan 0.000 0.490 407 F N 4.366 124.342 119.950 0.043 0.000 2.444 407 F HA 0.530 5.035 4.527 -0.037 0.000 0.360 407 F C 0.944 176.878 175.800 0.223 0.000 1.106 407 F CA 0.102 58.154 58.000 0.087 0.000 1.170 407 F CB 0.666 39.704 39.000 0.063 0.000 1.113 407 F HN 0.986 nan 8.300 nan 0.000 0.521 408 T N 1.859 116.398 114.554 -0.025 0.000 2.897 408 T HA 0.805 5.130 4.350 -0.042 0.000 0.278 408 T C -0.050 174.697 174.700 0.079 0.000 0.981 408 T CA -0.198 61.956 62.100 0.091 0.000 0.973 408 T CB 1.598 70.515 68.868 0.081 0.000 1.092 408 T HN 0.711 nan 8.240 nan 0.000 0.543 409 S N -0.578 115.141 115.700 0.032 0.000 2.790 409 S HA 0.778 5.223 4.470 -0.042 0.000 0.292 409 S C -0.809 173.744 174.600 -0.079 0.000 1.197 409 S CA -0.800 57.370 58.200 -0.051 0.000 0.851 409 S CB 0.795 63.977 63.200 -0.030 0.000 1.217 409 S HN 1.398 nan 8.310 nan 0.000 0.526 410 A N 0.428 123.152 122.820 -0.161 0.000 2.304 410 A HA 0.736 5.030 4.320 -0.042 0.000 0.301 410 A C -0.929 176.659 177.584 0.007 0.000 1.132 410 A CA -0.494 51.494 52.037 -0.082 0.000 0.819 410 A CB 0.073 18.986 19.000 -0.145 0.000 1.094 410 A HN 0.930 nan 8.150 nan 0.000 0.492 411 F N 3.153 123.078 119.950 -0.042 0.000 2.404 411 F HA 0.504 5.004 4.527 -0.046 0.000 0.358 411 F C -2.084 173.740 175.800 0.040 0.000 1.120 411 F CA -2.498 55.490 58.000 -0.021 0.000 1.144 411 F CB 0.727 39.713 39.000 -0.024 0.000 1.133 411 F HN 0.317 nan 8.300 nan 0.000 0.495 412 P HA -0.068 nan 4.420 nan 0.000 0.265 412 P C -0.768 176.327 177.300 -0.343 0.000 1.187 412 P CA 0.063 62.975 63.100 -0.312 0.000 0.766 412 P CB 0.420 31.920 31.700 -0.333 0.000 0.820 413 E N 1.982 122.112 120.200 -0.116 0.000 2.324 413 E HA 0.260 4.585 4.350 -0.042 0.000 0.271 413 E C 0.853 177.393 176.600 -0.099 0.000 1.028 413 E CA 0.472 56.831 56.400 -0.069 0.000 0.890 413 E CB -0.374 29.302 29.700 -0.040 0.000 1.004 413 E HN 0.764 nan 8.360 nan 0.000 0.431 414 G N 2.927 111.685 108.800 -0.070 0.000 2.179 414 G HA2 -0.151 3.784 3.960 -0.042 0.000 0.220 414 G HA3 -0.151 3.784 3.960 -0.042 0.000 0.220 414 G C 0.580 175.432 174.900 -0.080 0.000 0.990 414 G CA -0.075 44.992 45.100 -0.055 0.000 0.646 414 G HN 1.377 nan 8.290 nan 0.000 0.517 415 G N -1.500 107.186 108.800 -0.190 0.000 2.760 415 G HA2 0.397 4.332 3.960 -0.042 0.000 0.246 415 G HA3 0.397 4.332 3.960 -0.042 0.000 0.246 415 G C -0.156 174.534 174.900 -0.350 0.000 1.359 415 G CA 0.885 45.856 45.100 -0.214 0.000 0.861 415 G HN 2.183 nan 8.290 nan 0.000 0.541 416 S N -1.394 114.214 115.700 -0.153 0.000 2.537 416 S HA 0.589 5.034 4.470 -0.042 0.000 0.271 416 S C -0.244 174.343 174.600 -0.021 0.000 1.148 416 S CA 0.366 58.483 58.200 -0.139 0.000 0.868 416 S CB 1.763 64.816 63.200 -0.246 0.000 1.115 416 S HN 0.600 nan 8.310 nan 0.000 0.461 417 D N 2.346 122.721 120.400 -0.042 0.000 2.350 417 D HA 0.201 4.816 4.640 -0.042 0.000 0.213 417 D C 0.368 176.648 176.300 -0.033 0.000 1.031 417 D CA 0.522 54.537 54.000 0.025 0.000 0.861 417 D CB 0.067 40.890 40.800 0.039 0.000 0.926 417 D HN 0.608 nan 8.370 nan 0.000 0.520 418 N N -0.649 117.862 118.700 -0.315 0.000 2.143 418 N HA 0.270 4.985 4.740 -0.042 0.000 0.229 418 N C -0.395 174.416 175.510 -1.166 0.000 1.294 418 N CA -0.008 52.656 53.050 -0.643 0.000 0.883 418 N CB 1.731 40.098 38.487 -0.199 0.000 1.148 418 N HN -0.012 nan 8.380 nan 0.000 0.511 419 I N 0.192 120.203 120.570 -0.932 0.000 2.827 419 I HA 0.360 4.505 4.170 -0.042 0.000 0.298 419 I C -0.869 175.267 176.117 0.031 0.000 1.235 419 I CA -1.022 60.029 61.300 -0.415 0.000 1.021 419 I CB 2.277 40.243 38.000 -0.056 0.000 1.259 419 I HN -0.067 nan 8.210 nan 0.000 0.427 420 S N 3.366 119.213 115.700 0.245 0.000 2.532 420 S HA 0.506 4.951 4.470 -0.042 0.000 0.301 420 S C -0.808 173.727 174.600 -0.108 0.000 1.083 420 S CA -0.803 57.529 58.200 0.220 0.000 1.025 420 S CB 2.054 65.478 63.200 0.374 0.000 1.056 420 S HN 0.672 nan 8.310 nan 0.000 0.494 421 Q N 1.498 120.913 119.800 -0.642 0.000 2.286 421 Q HA 0.399 4.713 4.340 -0.042 0.000 0.257 421 Q C -0.055 175.740 176.000 -0.341 0.000 0.941 421 Q CA -0.426 54.903 55.803 -0.790 0.000 0.912 421 Q CB 0.590 28.546 28.738 -1.304 0.000 1.192 421 Q HN 0.880 nan 8.270 nan 0.000 0.410 422 L N 2.220 123.277 121.223 -0.277 0.000 2.500 422 L HA 0.517 4.832 4.340 -0.042 0.000 0.219 422 L C 0.419 177.160 176.870 -0.215 0.000 1.057 422 L CA 0.145 54.858 54.840 -0.212 0.000 0.854 422 L CB 0.439 42.297 42.059 -0.336 0.000 1.078 422 L HN 0.653 nan 8.230 nan 0.000 0.480 423 A N -0.970 121.689 122.820 -0.268 0.000 2.581 423 A HA 0.633 4.928 4.320 -0.042 0.000 0.290 423 A C -2.751 174.759 177.584 -0.123 0.000 1.119 423 A CA -0.987 50.952 52.037 -0.164 0.000 0.670 423 A CB 0.378 19.259 19.000 -0.199 0.000 1.280 423 A HN -0.227 nan 8.150 nan 0.000 0.425 424 P HA 0.298 nan 4.420 nan 0.000 0.261 424 P C 0.994 178.303 177.300 0.015 0.000 1.203 424 P CA 2.304 65.402 63.100 -0.004 0.000 0.767 424 P CB 0.361 32.073 31.700 0.021 0.000 0.785 425 G N 2.369 111.206 108.800 0.063 0.000 2.212 425 G HA2 -0.281 3.654 3.960 -0.042 0.000 0.266 425 G HA3 -0.281 3.654 3.960 -0.042 0.000 0.266 425 G C -0.143 174.803 174.900 0.076 0.000 0.978 425 G CA -0.149 45.013 45.100 0.104 0.000 0.632 425 G HN 0.556 nan 8.290 nan 0.000 0.537 426 L N 1.774 122.981 121.223 -0.027 0.000 2.275 426 L HA 0.781 5.096 4.340 -0.042 0.000 0.288 426 L C 0.728 177.546 176.870 -0.088 0.000 1.046 426 L CA 0.273 55.037 54.840 -0.128 0.000 0.805 426 L CB 1.204 43.045 42.059 -0.362 0.000 1.193 426 L HN 0.395 nan 8.230 nan 0.000 0.426 427 G N 3.226 112.028 108.800 0.003 0.000 2.568 427 G HA2 0.784 4.719 3.960 -0.042 0.000 0.313 427 G HA3 0.784 4.719 3.960 -0.042 0.000 0.313 427 G C -1.696 173.245 174.900 0.068 0.000 1.227 427 G CA -0.342 44.823 45.100 0.109 0.000 0.979 427 G HN 0.922 nan 8.290 nan 0.000 0.486 428 A N 1.263 124.175 122.820 0.153 0.000 2.457 428 A HA 0.760 5.055 4.320 -0.042 0.000 0.283 428 A C -2.855 174.925 177.584 0.326 0.000 1.166 428 A CA -1.313 50.873 52.037 0.247 0.000 0.740 428 A CB 1.634 20.790 19.000 0.259 0.000 1.181 428 A HN 0.403 nan 8.150 nan 0.000 0.446 429 P HA 0.218 nan 4.420 nan 0.000 0.269 429 P C -0.406 177.220 177.300 0.543 0.000 1.209 429 P CA 0.137 63.424 63.100 0.312 0.000 0.776 429 P CB 0.205 32.122 31.700 0.360 0.000 0.876 430 F N 3.204 123.317 119.950 0.272 0.000 2.506 430 F HA 0.221 4.724 4.527 -0.040 0.000 0.351 430 F C 1.610 177.397 175.800 -0.021 0.000 1.136 430 F CA 0.422 58.499 58.000 0.128 0.000 1.298 430 F CB -0.441 38.661 39.000 0.170 0.000 1.145 430 F HN 0.494 nan 8.300 nan 0.000 0.593 431 H N -0.039 118.943 119.070 -0.146 0.000 2.918 431 H HA 0.552 5.083 4.556 -0.042 0.000 0.303 431 H C -1.787 173.275 175.328 -0.444 0.000 1.380 431 H CA -1.101 54.626 56.048 -0.534 0.000 1.134 431 H CB 1.586 30.622 29.762 -1.210 0.000 1.842 431 H HN 0.581 nan 8.280 nan 0.000 0.533 432 Q N 0.082 119.626 119.800 -0.428 0.000 2.456 432 Q HA 0.374 4.689 4.340 -0.042 0.000 0.283 432 Q C -1.175 174.575 176.000 -0.418 0.000 1.084 432 Q CA -0.916 54.660 55.803 -0.378 0.000 0.801 432 Q CB 3.146 31.698 28.738 -0.310 0.000 1.434 432 Q HN 0.567 nan 8.270 nan 0.000 0.419 433 H N 1.367 120.266 119.070 -0.285 0.000 2.887 433 H HA 0.436 4.967 4.556 -0.043 0.000 0.300 433 H C -0.855 174.281 175.328 -0.320 0.000 1.038 433 H CA -0.257 55.615 56.048 -0.293 0.000 1.352 433 H CB 0.837 30.514 29.762 -0.141 0.000 1.473 433 H HN 0.420 nan 8.280 nan 0.000 0.503 434 I N 4.034 124.392 120.570 -0.353 0.000 2.378 434 I HA 0.233 4.378 4.170 -0.042 0.000 0.291 434 I C -0.553 175.336 176.117 -0.379 0.000 0.992 434 I CA -0.588 60.551 61.300 -0.270 0.000 1.154 434 I CB 0.949 38.790 38.000 -0.265 0.000 1.315 434 I HN 0.215 nan 8.210 nan 0.000 0.448 435 F N 3.161 122.830 119.950 -0.468 0.000 2.497 435 F HA 0.552 5.054 4.527 -0.042 0.000 0.331 435 F C 0.581 176.156 175.800 -0.375 0.000 1.060 435 F CA -0.911 56.759 58.000 -0.551 0.000 0.989 435 F CB 1.727 40.049 39.000 -1.130 0.000 1.245 435 F HN 0.260 nan 8.300 nan 0.000 0.486 436 S N 0.924 116.636 115.700 0.020 0.000 2.707 436 S HA 0.780 5.225 4.470 -0.042 0.000 0.303 436 S C -1.045 173.645 174.600 0.150 0.000 1.132 436 S CA -0.527 57.728 58.200 0.092 0.000 1.046 436 S CB 0.573 63.669 63.200 -0.173 0.000 1.004 436 S HN 0.860 nan 8.310 nan 0.000 0.483 437 A N 4.837 127.803 122.820 0.243 0.000 2.260 437 A HA 0.640 4.934 4.320 -0.042 0.000 0.308 437 A C 0.107 177.725 177.584 0.056 0.000 1.254 437 A CA -0.682 51.468 52.037 0.189 0.000 0.874 437 A CB 0.436 19.528 19.000 0.154 0.000 1.153 437 A HN 0.843 nan 8.150 nan 0.000 0.527 438 R N 3.339 123.812 120.500 -0.044 0.000 2.207 438 R HA 0.543 4.858 4.340 -0.042 0.000 0.334 438 R C -1.582 174.537 176.300 -0.302 0.000 1.013 438 R CA -0.338 55.538 56.100 -0.375 0.000 0.858 438 R CB 0.312 30.273 30.300 -0.564 0.000 1.094 438 R HN 0.715 nan 8.270 nan 0.000 0.457 439 L N 4.421 125.444 121.223 -0.332 0.000 2.324 439 L HA 0.261 4.576 4.340 -0.042 0.000 0.274 439 L C -0.550 176.190 176.870 -0.216 0.000 1.012 439 L CA -0.858 53.863 54.840 -0.197 0.000 0.859 439 L CB 1.591 43.598 42.059 -0.087 0.000 1.224 439 L HN 0.539 nan 8.230 nan 0.000 0.429 440 D N 4.808 125.099 120.400 -0.183 0.000 2.402 440 D HA 0.175 4.790 4.640 -0.042 0.000 0.235 440 D C 0.120 176.391 176.300 -0.048 0.000 1.226 440 D CA -0.274 53.669 54.000 -0.095 0.000 0.918 440 D CB 0.593 41.361 40.800 -0.053 0.000 1.043 440 D HN 0.134 nan 8.370 nan 0.000 0.506 441 M N 2.422 122.007 119.600 -0.026 0.000 2.228 441 M HA 0.320 4.774 4.480 -0.042 0.000 0.351 441 M C 0.331 176.608 176.300 -0.039 0.000 1.233 441 M CA -0.361 54.919 55.300 -0.033 0.000 1.129 441 M CB 0.687 33.284 32.600 -0.004 0.000 1.604 441 M HN 0.473 nan 8.290 nan 0.000 0.457 442 A N 4.559 127.284 122.820 -0.158 0.000 3.415 442 A HA 0.406 4.701 4.320 -0.042 0.000 0.244 442 A C -0.305 177.147 177.584 -0.220 0.000 0.988 442 A CA -0.550 51.281 52.037 -0.342 0.000 0.991 442 A CB 0.109 18.740 19.000 -0.615 0.000 1.240 442 A HN 0.622 nan 8.150 nan 0.000 0.541 443 I N 1.621 122.134 120.570 -0.095 0.000 2.574 443 I HA 0.052 4.197 4.170 -0.042 0.000 0.291 443 I C 0.380 176.537 176.117 0.066 0.000 1.131 443 I CA 0.792 62.105 61.300 0.023 0.000 1.352 443 I CB -0.945 37.113 38.000 0.097 0.000 1.431 443 I HN 0.496 nan 8.210 nan 0.000 0.543 444 D N 5.087 125.562 120.400 0.124 0.000 2.837 444 D HA -0.155 4.460 4.640 -0.042 0.000 0.230 444 D C 0.653 176.915 176.300 -0.064 0.000 1.152 444 D CA 1.674 55.697 54.000 0.038 0.000 0.736 444 D CB -0.700 40.091 40.800 -0.014 0.000 1.084 444 D HN 1.127 nan 8.370 nan 0.000 0.429 445 G N -2.172 106.524 108.800 -0.173 0.000 2.384 445 G HA2 -0.103 3.831 3.960 -0.042 0.000 0.668 445 G HA3 -0.103 3.831 3.960 -0.042 0.000 0.668 445 G C 0.296 174.999 174.900 -0.329 0.000 1.280 445 G CA -0.364 44.571 45.100 -0.276 0.000 0.992 445 G HN 0.059 nan 8.290 nan 0.000 0.512 446 F N 0.808 120.747 119.950 -0.019 0.000 2.710 446 F HA 0.207 4.708 4.527 -0.042 0.000 0.298 446 F C 2.247 178.042 175.800 -0.008 0.000 1.137 446 F CA 1.218 59.201 58.000 -0.029 0.000 1.444 446 F CB 0.232 39.198 39.000 -0.057 0.000 1.111 446 F HN 0.306 nan 8.300 nan 0.000 0.580 447 T N 2.607 117.242 114.554 0.135 0.000 2.978 447 T HA 0.161 4.486 4.350 -0.042 0.000 0.278 447 T C -0.103 174.642 174.700 0.075 0.000 0.945 447 T CA -0.152 62.007 62.100 0.098 0.000 1.070 447 T CB -0.481 68.427 68.868 0.068 0.000 0.948 447 T HN -0.009 nan 8.240 nan 0.000 0.617 448 N N 2.584 121.337 118.700 0.087 0.000 2.469 448 N HA 0.653 5.367 4.740 -0.042 0.000 0.286 448 N C -0.398 175.160 175.510 0.080 0.000 1.275 448 N CA -1.008 52.088 53.050 0.077 0.000 0.790 448 N CB 2.024 40.556 38.487 0.075 0.000 1.446 448 N HN 0.535 nan 8.380 nan 0.000 0.501 449 R N -0.996 119.552 120.500 0.080 0.000 2.734 449 R HA 0.641 4.956 4.340 -0.042 0.000 0.271 449 R C -2.122 174.234 176.300 0.093 0.000 1.021 449 R CA -0.580 55.570 56.100 0.083 0.000 0.893 449 R CB 0.470 30.814 30.300 0.073 0.000 1.244 449 R HN 0.261 nan 8.270 nan 0.000 0.464 450 V N 1.233 121.209 119.914 0.104 0.000 2.604 450 V HA 0.486 4.580 4.120 -0.042 0.000 0.305 450 V C -0.525 175.654 176.094 0.141 0.000 1.043 450 V CA -0.719 61.659 62.300 0.130 0.000 0.888 450 V CB 1.938 33.843 31.823 0.136 0.000 0.995 450 V HN 0.771 nan 8.190 nan 0.000 0.429 451 E N 2.046 122.339 120.200 0.155 0.000 2.288 451 E HA 0.468 4.793 4.350 -0.042 0.000 0.268 451 E C -1.060 175.641 176.600 0.168 0.000 0.885 451 E CA -0.730 55.751 56.400 0.134 0.000 0.767 451 E CB 2.887 32.634 29.700 0.077 0.000 1.220 451 E HN 0.721 nan 8.360 nan 0.000 0.427 452 E N 2.260 122.543 120.200 0.138 0.000 2.115 452 E HA 0.077 4.402 4.350 -0.042 0.000 0.282 452 E C -1.058 175.480 176.600 -0.103 0.000 0.987 452 E CA -0.262 56.145 56.400 0.012 0.000 0.797 452 E CB 0.910 30.684 29.700 0.124 0.000 1.086 452 E HN 0.379 nan 8.360 nan 0.000 0.397 453 E N 4.406 124.476 120.200 -0.218 0.000 2.113 453 E HA 0.155 4.480 4.350 -0.042 0.000 0.273 453 E C -1.209 175.282 176.600 -0.183 0.000 0.924 453 E CA -0.769 55.541 56.400 -0.151 0.000 0.764 453 E CB 0.847 30.478 29.700 -0.115 0.000 1.104 453 E HN 0.428 nan 8.360 nan 0.000 0.406 454 D N 2.554 122.887 120.400 -0.112 0.000 2.198 454 D HA 0.242 4.856 4.640 -0.042 0.000 0.247 454 D C -0.454 175.821 176.300 -0.042 0.000 1.010 454 D CA -0.545 53.399 54.000 -0.094 0.000 0.880 454 D CB 2.105 42.865 40.800 -0.067 0.000 1.209 454 D HN 0.154 nan 8.370 nan 0.000 0.451 455 V N 1.641 121.535 119.914 -0.034 0.000 2.715 455 V HA 0.180 4.275 4.120 -0.042 0.000 0.299 455 V C 0.180 176.285 176.094 0.018 0.000 1.054 455 V CA -0.199 62.107 62.300 0.009 0.000 1.077 455 V CB 1.426 33.232 31.823 -0.028 0.000 0.972 455 V HN 0.250 nan 8.190 nan 0.000 0.484 456 V N 6.256 126.210 119.914 0.066 0.000 2.444 456 V HA 0.454 4.548 4.120 -0.042 0.000 0.294 456 V C 0.176 176.325 176.094 0.092 0.000 1.022 456 V CA -0.806 61.528 62.300 0.057 0.000 0.850 456 V CB 1.616 33.469 31.823 0.050 0.000 0.992 456 V HN 0.805 nan 8.190 nan 0.000 0.426 457 R N 3.473 124.005 120.500 0.054 0.000 2.410 457 R HA 0.564 4.879 4.340 -0.042 0.000 0.288 457 R C -0.530 175.807 176.300 0.061 0.000 1.051 457 R CA -0.482 55.656 56.100 0.064 0.000 1.021 457 R CB 1.228 31.539 30.300 0.018 0.000 1.032 457 R HN 0.680 nan 8.270 nan 0.000 0.481 458 Q N 0.561 120.405 119.800 0.075 0.000 2.345 458 Q HA 0.303 4.618 4.340 -0.042 0.000 0.268 458 Q C -0.741 175.282 176.000 0.038 0.000 1.054 458 Q CA -0.745 55.089 55.803 0.051 0.000 0.835 458 Q CB 2.485 31.253 28.738 0.051 0.000 1.339 458 Q HN 0.460 nan 8.270 nan 0.000 0.447 459 T N 2.065 116.634 114.554 0.026 0.000 2.856 459 T HA 0.238 4.563 4.350 -0.042 0.000 0.292 459 T C 0.085 174.795 174.700 0.018 0.000 0.980 459 T CA -0.425 61.687 62.100 0.019 0.000 1.091 459 T CB 0.484 69.360 68.868 0.014 0.000 0.936 459 T HN 0.478 nan 8.240 nan 0.000 0.503 460 M N 3.280 122.890 119.600 0.017 0.000 2.252 460 M HA 0.431 4.886 4.480 -0.042 0.000 0.348 460 M C 0.453 176.759 176.300 0.010 0.000 1.334 460 M CA 0.891 56.200 55.300 0.014 0.000 1.071 460 M CB -0.538 32.070 32.600 0.013 0.000 1.763 460 M HN 0.925 nan 8.290 nan 0.000 0.452 461 G N 4.603 113.408 108.800 0.008 0.000 2.344 461 G HA2 0.211 4.146 3.960 -0.042 0.000 0.282 461 G HA3 0.211 4.146 3.960 -0.042 0.000 0.282 461 G C -3.377 171.525 174.900 0.004 0.000 1.281 461 G CA -1.121 43.983 45.100 0.006 0.000 0.877 461 G HN 0.417 nan 8.290 nan 0.000 0.494 462 P HA 0.303 nan 4.420 nan 0.000 0.258 462 P C 0.946 178.246 177.300 0.000 0.000 1.172 462 P CA 2.413 65.514 63.100 0.001 0.000 0.762 462 P CB 0.521 32.221 31.700 0.001 0.000 0.764 463 G N 2.989 111.788 108.800 -0.002 0.000 2.175 463 G HA2 -0.260 3.675 3.960 -0.042 0.000 0.244 463 G HA3 -0.260 3.675 3.960 -0.042 0.000 0.244 463 G C 0.455 175.353 174.900 -0.005 0.000 0.982 463 G CA 0.208 45.306 45.100 -0.004 0.000 0.641 463 G HN 0.648 nan 8.290 nan 0.000 0.527 464 N N -0.047 118.652 118.700 -0.000 0.000 2.605 464 N HA 0.330 5.045 4.740 -0.042 0.000 0.265 464 N C 0.953 176.467 175.510 0.006 0.000 1.625 464 N CA 0.499 53.550 53.050 0.003 0.000 0.862 464 N CB 0.393 38.885 38.487 0.007 0.000 1.415 464 N HN 0.147 nan 8.380 nan 0.000 0.513 465 E N 0.078 120.280 120.200 0.003 0.000 2.160 465 E HA -0.039 4.286 4.350 -0.042 0.000 0.195 465 E C 1.121 177.725 176.600 0.007 0.000 0.991 465 E CA 1.228 57.631 56.400 0.004 0.000 0.810 465 E CB 0.100 29.801 29.700 0.002 0.000 0.742 465 E HN 0.391 nan 8.360 nan 0.000 0.466 466 R N -0.401 120.104 120.500 0.008 0.000 2.310 466 R HA 0.143 4.458 4.340 -0.042 0.000 0.202 466 R C 0.688 176.998 176.300 0.017 0.000 0.933 466 R CA 0.476 56.582 56.100 0.011 0.000 1.054 466 R CB 0.220 30.526 30.300 0.010 0.000 0.985 466 R HN 0.219 nan 8.270 nan 0.000 0.489 467 G N 2.540 111.351 108.800 0.019 0.000 2.356 467 G HA2 -0.343 3.592 3.960 -0.042 0.000 0.296 467 G HA3 -0.343 3.592 3.960 -0.042 0.000 0.296 467 G C 0.233 175.158 174.900 0.042 0.000 1.022 467 G CA 1.031 46.148 45.100 0.027 0.000 0.961 467 G HN 0.706 nan 8.290 nan 0.000 0.510 468 N N -1.202 117.527 118.700 0.047 0.000 2.273 468 N HA 0.510 5.224 4.740 -0.042 0.000 0.192 468 N C 1.233 176.808 175.510 0.109 0.000 1.132 468 N CA 0.557 53.652 53.050 0.074 0.000 0.887 468 N CB 0.402 38.918 38.487 0.049 0.000 1.048 468 N HN 0.806 nan 8.380 nan 0.000 0.490 469 A N 0.733 123.589 122.820 0.060 0.000 2.462 469 A HA 0.437 4.732 4.320 -0.042 0.000 0.243 469 A C -0.546 177.120 177.584 0.137 0.000 1.076 469 A CA -0.123 51.928 52.037 0.023 0.000 0.773 469 A CB -0.337 18.658 19.000 -0.009 0.000 1.010 469 A HN 0.512 nan 8.150 nan 0.000 0.493 470 F N 0.190 120.134 119.950 -0.009 0.000 2.641 470 F HA 0.770 5.272 4.527 -0.042 0.000 0.308 470 F C -0.382 175.411 175.800 -0.012 0.000 1.105 470 F CA -0.469 57.525 58.000 -0.011 0.000 0.964 470 F CB 0.917 39.910 39.000 -0.013 0.000 1.294 470 F HN 0.587 nan 8.300 nan 0.000 0.442 471 S N 1.409 117.216 115.700 0.177 0.000 2.971 471 S HA 0.836 5.281 4.470 -0.042 0.000 0.320 471 S C -1.409 173.270 174.600 0.131 0.000 1.111 471 S CA -0.900 57.339 58.200 0.064 0.000 0.870 471 S CB 1.525 64.735 63.200 0.017 0.000 1.331 471 S HN 1.097 nan 8.310 nan 0.000 0.635 472 R N 0.735 121.271 120.500 0.061 0.000 2.740 472 R HA 0.647 4.962 4.340 -0.042 0.000 0.273 472 R C -1.821 174.490 176.300 0.018 0.000 0.998 472 R CA -0.896 55.231 56.100 0.046 0.000 0.900 472 R CB 1.422 31.745 30.300 0.039 0.000 1.223 472 R HN 0.686 nan 8.270 nan 0.000 0.466 473 K N 2.048 122.452 120.400 0.005 0.000 2.422 473 K HA 0.565 4.860 4.320 -0.042 0.000 0.251 473 K C -1.150 175.445 176.600 -0.009 0.000 0.933 473 K CA -1.084 55.203 56.287 0.001 0.000 0.798 473 K CB 2.666 35.168 32.500 0.003 0.000 1.238 473 K HN 0.625 nan 8.250 nan 0.000 0.428 474 R N 1.309 121.809 120.500 -0.000 0.000 2.561 474 R HA 0.371 4.686 4.340 -0.042 0.000 0.297 474 R C -1.135 175.176 176.300 0.018 0.000 0.969 474 R CA -0.888 55.215 56.100 0.004 0.000 0.879 474 R CB 2.547 32.853 30.300 0.009 0.000 1.178 474 R HN 0.671 nan 8.270 nan 0.000 0.445 475 T N 2.262 116.833 114.554 0.029 0.000 2.786 475 T HA 0.254 4.579 4.350 -0.042 0.000 0.283 475 T C -0.028 174.711 174.700 0.064 0.000 0.992 475 T CA -0.631 61.495 62.100 0.043 0.000 0.954 475 T CB 1.627 70.522 68.868 0.045 0.000 0.934 475 T HN 0.138 nan 8.240 nan 0.000 0.440 476 V N 4.915 124.864 119.914 0.058 0.000 2.555 476 V HA 0.250 4.345 4.120 -0.042 0.000 0.286 476 V C 0.335 176.473 176.094 0.073 0.000 1.044 476 V CA -0.634 61.707 62.300 0.068 0.000 1.026 476 V CB 0.565 32.422 31.823 0.056 0.000 0.981 476 V HN 0.724 nan 8.190 nan 0.000 0.480 477 L N 5.333 126.609 121.223 0.088 0.000 2.283 477 L HA 0.270 4.585 4.340 -0.042 0.000 0.287 477 L C 1.483 178.396 176.870 0.072 0.000 1.073 477 L CA -0.089 54.800 54.840 0.083 0.000 0.822 477 L CB 1.055 43.172 42.059 0.096 0.000 1.186 477 L HN 0.934 nan 8.230 nan 0.000 0.436 478 T N -0.429 114.161 114.554 0.060 0.000 3.010 478 T HA 0.173 4.497 4.350 -0.042 0.000 0.252 478 T C 0.968 175.702 174.700 0.057 0.000 1.047 478 T CA -0.006 62.127 62.100 0.056 0.000 1.140 478 T CB 0.364 69.260 68.868 0.046 0.000 0.885 478 T HN 0.298 nan 8.240 nan 0.000 0.464 479 R N 0.993 121.526 120.500 0.055 0.000 2.803 479 R HA 0.497 4.811 4.340 -0.042 0.000 0.276 479 R C 0.752 177.090 176.300 0.063 0.000 0.978 479 R CA -0.642 55.491 56.100 0.055 0.000 0.939 479 R CB 1.249 31.576 30.300 0.045 0.000 1.179 479 R HN 0.282 nan 8.270 nan 0.000 0.472 480 E N 0.517 120.761 120.200 0.074 0.000 2.209 480 E HA -0.158 4.167 4.350 -0.042 0.000 0.196 480 E C 0.981 177.625 176.600 0.074 0.000 0.993 480 E CA 1.835 58.290 56.400 0.091 0.000 0.819 480 E CB 0.165 29.930 29.700 0.108 0.000 0.745 480 E HN 0.598 nan 8.360 nan 0.000 0.477 481 S N 0.079 115.812 115.700 0.056 0.000 2.660 481 S HA -0.045 4.400 4.470 -0.042 0.000 0.228 481 S C 1.007 175.618 174.600 0.018 0.000 0.966 481 S CA 0.498 58.721 58.200 0.038 0.000 0.940 481 S CB 0.002 63.222 63.200 0.034 0.000 0.773 481 S HN 0.230 nan 8.310 nan 0.000 0.535 482 E N -0.066 120.148 120.200 0.023 0.000 2.715 482 E HA 0.370 4.695 4.350 -0.042 0.000 0.224 482 E C 0.651 177.257 176.600 0.009 0.000 0.962 482 E CA 0.197 56.604 56.400 0.013 0.000 1.145 482 E CB 0.866 30.584 29.700 0.029 0.000 1.083 482 E HN 0.519 nan 8.360 nan 0.000 0.506 483 A N 1.146 123.972 122.820 0.010 0.000 2.577 483 A HA 0.265 4.559 4.320 -0.042 0.000 0.280 483 A C 0.235 177.764 177.584 -0.092 0.000 1.331 483 A CA -0.087 51.954 52.037 0.006 0.000 0.935 483 A CB 0.173 19.217 19.000 0.073 0.000 1.082 483 A HN 0.023 nan 8.150 nan 0.000 0.525 484 V N 2.817 122.607 119.914 -0.207 0.000 2.275 484 V HA 0.359 4.454 4.120 -0.042 0.000 0.272 484 V C -0.488 175.367 176.094 -0.399 0.000 1.028 484 V CA -0.744 61.236 62.300 -0.534 0.000 0.810 484 V CB 0.425 31.833 31.823 -0.691 0.000 1.043 484 V HN 0.483 nan 8.190 nan 0.000 0.453 485 R N 3.373 123.648 120.500 -0.375 0.000 2.668 485 R HA 0.646 4.961 4.340 -0.042 0.000 0.279 485 R C -0.067 176.173 176.300 -0.100 0.000 0.976 485 R CA -0.645 55.368 56.100 -0.146 0.000 0.978 485 R CB 1.995 32.302 30.300 0.011 0.000 1.133 485 R HN 0.874 nan 8.270 nan 0.000 0.484 486 E N 0.610 120.861 120.200 0.086 0.000 2.249 486 E HA 0.709 5.034 4.350 -0.042 0.000 0.263 486 E C -0.808 175.999 176.600 0.344 0.000 0.950 486 E CA -1.118 55.366 56.400 0.141 0.000 0.827 486 E CB 1.631 31.371 29.700 0.067 0.000 1.220 486 E HN 0.533 nan 8.360 nan 0.000 0.411 487 A N 1.118 124.136 122.820 0.329 0.000 2.313 487 A HA 0.292 4.586 4.320 -0.042 0.000 0.261 487 A C -0.325 177.356 177.584 0.160 0.000 1.090 487 A CA -0.157 52.083 52.037 0.338 0.000 0.807 487 A CB 0.419 19.608 19.000 0.315 0.000 1.055 487 A HN 0.704 nan 8.150 nan 0.000 0.492 488 D N -0.069 120.378 120.400 0.078 0.000 2.584 488 D HA 0.410 5.024 4.640 -0.042 0.000 0.238 488 D C 0.681 176.980 176.300 -0.001 0.000 1.302 488 D CA 0.283 54.299 54.000 0.028 0.000 0.884 488 D CB 0.637 41.437 40.800 0.000 0.000 1.456 488 D HN 0.475 nan 8.370 nan 0.000 0.528 489 A N 2.808 125.644 122.820 0.026 0.000 1.940 489 A HA -0.174 4.120 4.320 -0.042 0.000 0.219 489 A C 2.095 179.672 177.584 -0.011 0.000 1.176 489 A CA 1.489 53.535 52.037 0.016 0.000 0.631 489 A CB -0.217 18.805 19.000 0.037 0.000 0.814 489 A HN 0.497 nan 8.150 nan 0.000 0.446 490 R N -0.211 120.282 120.500 -0.011 0.000 2.096 490 R HA -0.144 4.171 4.340 -0.042 0.000 0.240 490 R C 1.716 177.992 176.300 -0.041 0.000 1.139 490 R CA 2.064 58.150 56.100 -0.023 0.000 0.952 490 R CB -0.424 29.868 30.300 -0.014 0.000 0.854 490 R HN 0.609 nan 8.270 nan 0.000 0.436 491 T N -3.059 111.470 114.554 -0.043 0.000 3.244 491 T HA 0.243 4.568 4.350 -0.042 0.000 0.254 491 T C 0.860 175.517 174.700 -0.071 0.000 1.024 491 T CA 0.149 62.216 62.100 -0.055 0.000 0.920 491 T CB 0.587 69.426 68.868 -0.049 0.000 1.042 491 T HN 0.414 nan 8.240 nan 0.000 0.572 492 G N 2.451 111.211 108.800 -0.067 0.000 2.379 492 G HA2 -0.363 3.572 3.960 -0.042 0.000 0.297 492 G HA3 -0.363 3.572 3.960 -0.042 0.000 0.297 492 G C 0.087 174.917 174.900 -0.118 0.000 1.004 492 G CA 0.305 45.365 45.100 -0.068 0.000 0.921 492 G HN 0.934 nan 8.290 nan 0.000 0.511 493 R N 0.492 120.883 120.500 -0.180 0.000 2.538 493 R HA 0.394 4.708 4.340 -0.042 0.000 0.282 493 R C 0.877 176.823 176.300 -0.589 0.000 1.009 493 R CA 1.049 56.925 56.100 -0.374 0.000 1.063 493 R CB 0.199 30.263 30.300 -0.393 0.000 0.945 493 R HN 0.473 nan 8.270 nan 0.000 0.414 494 T N 0.763 114.888 114.554 -0.715 0.000 2.804 494 T HA 0.550 4.875 4.350 -0.042 0.000 0.290 494 T C -1.081 173.098 174.700 -0.869 0.000 1.099 494 T CA -0.970 60.712 62.100 -0.696 0.000 1.011 494 T CB 1.253 69.924 68.868 -0.329 0.000 1.291 494 T HN 0.573 nan 8.240 nan 0.000 0.523 495 W N 0.518 121.774 121.300 -0.072 0.000 2.900 495 W HA 0.590 5.224 4.660 -0.042 0.000 0.336 495 W C -1.276 175.218 176.519 -0.042 0.000 1.064 495 W CA -1.171 56.150 57.345 -0.040 0.000 1.237 495 W CB 1.638 31.081 29.460 -0.028 0.000 1.391 495 W HN 0.595 nan 8.180 nan 0.000 0.468 496 I N 4.350 125.011 120.570 0.150 0.000 2.354 496 I HA 0.322 4.467 4.170 -0.042 0.000 0.292 496 I C -0.313 175.884 176.117 0.134 0.000 0.989 496 I CA -0.974 60.389 61.300 0.106 0.000 1.188 496 I CB 1.406 39.439 38.000 0.055 0.000 1.342 496 I HN 0.087 nan 8.210 nan 0.000 0.457 497 I N 6.022 126.674 120.570 0.137 0.000 2.321 497 I HA 0.305 4.449 4.170 -0.042 0.000 0.291 497 I C 0.261 176.452 176.117 0.124 0.000 0.998 497 I CA 0.252 61.626 61.300 0.123 0.000 1.227 497 I CB 1.331 39.395 38.000 0.106 0.000 1.368 497 I HN 0.589 nan 8.210 nan 0.000 0.466 498 S N 3.979 119.740 115.700 0.103 0.000 2.634 498 S HA 0.573 5.017 4.470 -0.042 0.000 0.296 498 S C -0.738 173.909 174.600 0.079 0.000 1.104 498 S CA -0.950 57.309 58.200 0.099 0.000 0.920 498 S CB 1.948 65.195 63.200 0.079 0.000 1.111 498 S HN 0.507 nan 8.310 nan 0.000 0.493 499 N N 2.057 120.799 118.700 0.069 0.000 2.546 499 N HA 0.365 5.080 4.740 -0.042 0.000 0.238 499 N C -2.014 173.514 175.510 0.030 0.000 0.984 499 N CA -2.303 50.775 53.050 0.046 0.000 0.935 499 N CB 1.387 39.894 38.487 0.034 0.000 1.122 499 N HN 0.417 nan 8.380 nan 0.000 0.510 500 P HA -0.009 nan 4.420 nan 0.000 0.239 500 P C -0.241 177.067 177.300 0.014 0.000 1.184 500 P CA 0.925 64.040 63.100 0.024 0.000 0.760 500 P CB 0.393 32.111 31.700 0.031 0.000 0.884 501 E N -1.390 118.815 120.200 0.009 0.000 2.714 501 E HA 0.175 4.500 4.350 -0.042 0.000 0.219 501 E C -0.244 176.347 176.600 -0.014 0.000 0.979 501 E CA -0.115 56.286 56.400 0.001 0.000 1.092 501 E CB 0.678 30.384 29.700 0.009 0.000 1.049 501 E HN -0.078 nan 8.360 nan 0.000 0.487 502 S N 1.041 116.726 115.700 -0.025 0.000 2.756 502 S HA 0.393 4.838 4.470 -0.042 0.000 0.303 502 S C -1.108 173.452 174.600 -0.066 0.000 1.135 502 S CA -0.683 57.483 58.200 -0.055 0.000 1.066 502 S CB 0.419 63.574 63.200 -0.074 0.000 1.008 502 S HN -0.008 nan 8.310 nan 0.000 0.482 503 K N 2.927 123.286 120.400 -0.068 0.000 2.203 503 K HA 0.442 4.737 4.320 -0.042 0.000 0.251 503 K C -0.011 176.535 176.600 -0.089 0.000 0.944 503 K CA -1.022 55.226 56.287 -0.065 0.000 0.829 503 K CB 1.038 33.514 32.500 -0.040 0.000 1.125 503 K HN 0.738 nan 8.250 nan 0.000 0.430 504 N N 0.874 119.522 118.700 -0.088 0.000 2.322 504 N HA 0.006 4.721 4.740 -0.042 0.000 0.270 504 N C 0.736 176.212 175.510 -0.057 0.000 1.286 504 N CA -0.345 52.649 53.050 -0.093 0.000 0.948 504 N CB 0.269 38.707 38.487 -0.081 0.000 1.164 504 N HN 0.585 nan 8.380 nan 0.000 0.551 505 R N -0.792 119.681 120.500 -0.045 0.000 2.241 505 R HA 0.027 4.342 4.340 -0.042 0.000 0.224 505 R C 0.710 176.996 176.300 -0.023 0.000 1.101 505 R CA 1.082 57.164 56.100 -0.030 0.000 0.995 505 R CB -0.705 29.583 30.300 -0.021 0.000 0.870 505 R HN 0.548 nan 8.270 nan 0.000 0.463 506 L N 1.197 122.407 121.223 -0.022 0.000 2.629 506 L HA 0.134 4.449 4.340 -0.042 0.000 0.230 506 L C 0.260 177.119 176.870 -0.018 0.000 1.151 506 L CA -0.074 54.755 54.840 -0.018 0.000 0.924 506 L CB -0.682 41.368 42.059 -0.015 0.000 1.137 506 L HN 0.432 nan 8.230 nan 0.000 0.457 507 N N 1.617 120.303 118.700 -0.023 0.000 2.758 507 N HA -0.156 4.559 4.740 -0.042 0.000 0.248 507 N C -0.397 175.102 175.510 -0.019 0.000 1.076 507 N CA 0.372 53.409 53.050 -0.022 0.000 0.696 507 N CB -0.053 38.424 38.487 -0.017 0.000 0.979 507 N HN 0.370 nan 8.380 nan 0.000 0.550 508 E N 0.346 120.533 120.200 -0.022 0.000 2.199 508 E HA 0.400 4.724 4.350 -0.042 0.000 0.269 508 E C -2.474 174.114 176.600 -0.021 0.000 0.899 508 E CA -1.762 54.629 56.400 -0.016 0.000 0.772 508 E CB 1.536 31.229 29.700 -0.012 0.000 1.155 508 E HN 0.103 nan 8.360 nan 0.000 0.408 509 P HA -0.087 nan 4.420 nan 0.000 0.261 509 P C -0.003 177.296 177.300 -0.001 0.000 1.183 509 P CA 0.069 63.166 63.100 -0.005 0.000 0.761 509 P CB 0.301 32.010 31.700 0.014 0.000 0.785 510 V N 2.225 122.125 119.914 -0.023 0.000 2.872 510 V HA 0.673 4.768 4.120 -0.042 0.000 0.307 510 V C 0.604 176.777 176.094 0.131 0.000 1.072 510 V CA 0.352 62.650 62.300 -0.003 0.000 1.148 510 V CB 0.254 31.973 31.823 -0.173 0.000 0.954 510 V HN 0.716 nan 8.190 nan 0.000 0.490 511 G N 2.276 111.203 108.800 0.211 0.000 2.649 511 G HA2 0.613 4.548 3.960 -0.042 0.000 0.290 511 G HA3 0.613 4.548 3.960 -0.042 0.000 0.290 511 G C -2.294 172.738 174.900 0.221 0.000 1.426 511 G CA -0.748 44.481 45.100 0.215 0.000 0.794 511 G HN 0.774 nan 8.290 nan 0.000 0.483 512 Y N -0.150 120.168 120.300 0.030 0.000 2.457 512 Y HA 0.601 5.125 4.550 -0.042 0.000 0.343 512 Y C 0.026 175.933 175.900 0.011 0.000 0.994 512 Y CA -0.804 57.295 58.100 -0.002 0.000 1.031 512 Y CB 2.801 41.231 38.460 -0.050 0.000 1.246 512 Y HN 0.520 nan 8.280 nan 0.000 0.449 513 K N 4.107 124.535 120.400 0.047 0.000 2.235 513 K HA 0.551 4.845 4.320 -0.042 0.000 0.266 513 K C -1.676 174.864 176.600 -0.100 0.000 0.980 513 K CA -0.862 55.390 56.287 -0.058 0.000 0.849 513 K CB 1.073 33.465 32.500 -0.180 0.000 1.098 513 K HN 0.653 nan 8.250 nan 0.000 0.445 514 L N 5.071 126.265 121.223 -0.048 0.000 2.260 514 L HA 0.284 4.599 4.340 -0.042 0.000 0.289 514 L C -1.316 175.508 176.870 -0.078 0.000 1.057 514 L CA 0.076 54.934 54.840 0.030 0.000 0.811 514 L CB 0.462 42.590 42.059 0.114 0.000 1.184 514 L HN 0.672 nan 8.230 nan 0.000 0.429 515 H N 4.731 123.912 119.070 0.185 0.000 2.623 515 H HA 0.669 5.199 4.556 -0.042 0.000 0.299 515 H C 0.038 175.506 175.328 0.233 0.000 1.052 515 H CA -0.133 56.013 56.048 0.164 0.000 1.231 515 H CB 1.167 31.007 29.762 0.131 0.000 1.389 515 H HN 0.880 nan 8.280 nan 0.000 0.469 516 A N 2.217 125.239 122.820 0.336 0.000 2.271 516 A HA 0.194 4.489 4.320 -0.042 0.000 0.288 516 A C 0.424 178.302 177.584 0.489 0.000 1.094 516 A CA -0.548 51.731 52.037 0.404 0.000 0.828 516 A CB 0.504 19.765 19.000 0.436 0.000 1.091 516 A HN 0.991 nan 8.150 nan 0.000 0.493 517 H N 0.522 119.762 119.070 0.283 0.000 2.551 517 H HA 0.009 4.540 4.556 -0.042 0.000 0.266 517 H C -0.130 175.306 175.328 0.181 0.000 0.964 517 H CA 0.225 56.388 56.048 0.191 0.000 1.180 517 H CB 0.195 30.057 29.762 0.167 0.000 1.408 517 H HN 0.755 nan 8.280 nan 0.000 0.563 518 N N 2.018 120.934 118.700 0.360 0.000 2.735 518 N HA -0.169 4.546 4.740 -0.042 0.000 0.248 518 N C -0.459 175.174 175.510 0.206 0.000 1.083 518 N CA 0.573 53.782 53.050 0.265 0.000 0.703 518 N CB -0.897 37.707 38.487 0.194 0.000 1.005 518 N HN 0.528 nan 8.380 nan 0.000 0.550 519 Q N -0.128 119.808 119.800 0.227 0.000 2.443 519 Q HA 0.324 4.639 4.340 -0.042 0.000 0.232 519 Q C -1.798 174.273 176.000 0.119 0.000 1.026 519 Q CA -0.902 54.998 55.803 0.160 0.000 0.924 519 Q CB 0.162 29.005 28.738 0.174 0.000 1.256 519 Q HN 0.150 nan 8.270 nan 0.000 0.519 520 P HA 0.031 nan 4.420 nan 0.000 0.272 520 P C -0.281 177.032 177.300 0.021 0.000 1.223 520 P CA 0.084 63.210 63.100 0.044 0.000 0.784 520 P CB 0.518 32.229 31.700 0.018 0.000 0.923 521 T N -0.422 114.140 114.554 0.013 0.000 2.902 521 T HA 0.343 4.668 4.350 -0.042 0.000 0.287 521 T C 0.247 174.906 174.700 -0.068 0.000 1.048 521 T CA -0.884 61.203 62.100 -0.022 0.000 0.941 521 T CB 0.017 68.887 68.868 0.004 0.000 1.432 521 T HN 0.156 nan 8.240 nan 0.000 0.586 522 L N 1.126 122.282 121.223 -0.111 0.000 2.628 522 L HA 0.133 4.447 4.340 -0.042 0.000 0.274 522 L C 0.922 177.747 176.870 -0.076 0.000 1.209 522 L CA 0.287 55.049 54.840 -0.131 0.000 0.930 522 L CB -0.433 41.522 42.059 -0.172 0.000 1.183 522 L HN 0.634 nan 8.230 nan 0.000 0.492 523 L N 4.878 126.059 121.223 -0.070 0.000 2.375 523 L HA 0.180 4.494 4.340 -0.042 0.000 0.215 523 L C 1.423 178.285 176.870 -0.012 0.000 1.108 523 L CA 0.246 55.069 54.840 -0.028 0.000 0.830 523 L CB -0.503 41.546 42.059 -0.017 0.000 0.959 523 L HN 0.829 nan 8.230 nan 0.000 0.457 524 A N 0.796 123.601 122.820 -0.026 0.000 2.555 524 A HA -0.119 4.176 4.320 -0.042 0.000 0.233 524 A C 0.339 177.926 177.584 0.006 0.000 1.060 524 A CA -0.059 51.976 52.037 -0.004 0.000 0.759 524 A CB -0.110 18.884 19.000 -0.011 0.000 0.995 524 A HN 0.290 nan 8.150 nan 0.000 0.506 525 D N 2.851 123.264 120.400 0.021 0.000 2.525 525 D HA -0.019 4.595 4.640 -0.042 0.000 0.235 525 D C -1.037 175.273 176.300 0.017 0.000 1.137 525 D CA -0.683 53.331 54.000 0.023 0.000 0.868 525 D CB 0.825 41.644 40.800 0.031 0.000 1.180 525 D HN 0.306 nan 8.370 nan 0.000 0.465 526 P HA -0.123 nan 4.420 nan 0.000 0.218 526 P C 1.067 178.375 177.300 0.013 0.000 1.146 526 P CA 1.045 64.151 63.100 0.011 0.000 0.813 526 P CB 0.089 31.796 31.700 0.011 0.000 0.778 527 G N -0.109 108.702 108.800 0.017 0.000 2.985 527 G HA2 0.005 3.939 3.960 -0.042 0.000 0.209 527 G HA3 0.005 3.939 3.960 -0.042 0.000 0.209 527 G C 0.716 175.630 174.900 0.022 0.000 1.165 527 G CA 0.185 45.295 45.100 0.017 0.000 0.776 527 G HN 0.457 nan 8.290 nan 0.000 0.541 528 S N -0.344 115.374 115.700 0.030 0.000 2.596 528 S HA 0.214 4.658 4.470 -0.042 0.000 0.260 528 S C 1.654 176.269 174.600 0.026 0.000 1.336 528 S CA 0.499 58.729 58.200 0.050 0.000 0.993 528 S CB 1.483 64.721 63.200 0.063 0.000 0.923 528 S HN 0.118 nan 8.310 nan 0.000 0.567 529 S N 0.310 116.025 115.700 0.024 0.000 2.371 529 S HA -0.110 4.335 4.470 -0.042 0.000 0.224 529 S C 1.693 176.273 174.600 -0.033 0.000 1.029 529 S CA 0.874 59.026 58.200 -0.080 0.000 0.978 529 S CB -0.820 62.185 63.200 -0.325 0.000 0.833 529 S HN 0.694 nan 8.310 nan 0.000 0.466 530 I N 2.178 122.769 120.570 0.036 0.000 2.361 530 I HA 0.026 4.171 4.170 -0.042 0.000 0.251 530 I C 2.307 178.437 176.117 0.023 0.000 1.133 530 I CA 1.179 62.518 61.300 0.065 0.000 1.413 530 I CB -0.888 37.149 38.000 0.062 0.000 1.073 530 I HN 0.337 nan 8.210 nan 0.000 0.424 531 A N 0.548 123.370 122.820 0.003 0.000 1.902 531 A HA -0.198 4.097 4.320 -0.042 0.000 0.217 531 A C 2.452 180.032 177.584 -0.006 0.000 1.181 531 A CA 1.714 53.743 52.037 -0.014 0.000 0.623 531 A CB -0.575 18.423 19.000 -0.004 0.000 0.818 531 A HN 0.470 nan 8.150 nan 0.000 0.443 532 R N -0.885 119.614 120.500 -0.001 0.000 2.090 532 R HA 0.008 4.323 4.340 -0.042 0.000 0.228 532 R C 2.349 178.650 176.300 0.001 0.000 1.110 532 R CA 1.258 57.354 56.100 -0.006 0.000 0.973 532 R CB -0.236 30.054 30.300 -0.018 0.000 0.869 532 R HN 0.449 nan 8.270 nan 0.000 0.440 533 R N 0.205 120.723 120.500 0.029 0.000 2.153 533 R HA 0.078 4.393 4.340 -0.042 0.000 0.218 533 R C 0.861 177.261 176.300 0.167 0.000 1.072 533 R CA 1.050 57.186 56.100 0.060 0.000 0.990 533 R CB 0.291 30.635 30.300 0.073 0.000 0.889 533 R HN 0.067 nan 8.270 nan 0.000 0.452 534 A N 0.122 123.044 122.820 0.170 0.000 2.985 534 A HA 0.488 4.782 4.320 -0.042 0.000 0.303 534 A C 1.068 178.562 177.584 -0.151 0.000 1.048 534 A CA -0.128 51.985 52.037 0.128 0.000 1.016 534 A CB 0.358 19.346 19.000 -0.019 0.000 1.118 534 A HN 0.233 nan 8.150 nan 0.000 0.529 535 A N 0.182 122.974 122.820 -0.046 0.000 2.024 535 A HA -0.041 4.253 4.320 -0.042 0.000 0.220 535 A C 1.753 179.316 177.584 -0.034 0.000 1.164 535 A CA 1.748 53.763 52.037 -0.037 0.000 0.643 535 A CB -0.945 18.048 19.000 -0.012 0.000 0.806 535 A HN 1.364 nan 8.150 nan 0.000 0.451 536 F N -0.370 119.414 119.950 -0.276 0.000 2.216 536 F HA 0.056 4.558 4.527 -0.042 0.000 0.300 536 F C 1.998 177.831 175.800 0.056 0.000 1.085 536 F CA 0.860 58.594 58.000 -0.444 0.000 1.326 536 F CB -0.798 37.859 39.000 -0.571 0.000 1.027 536 F HN 0.136 nan 8.300 nan 0.000 0.497 537 A N 0.456 122.651 122.820 -1.043 0.000 2.235 537 A HA 0.011 4.305 4.320 -0.042 0.000 0.208 537 A C 2.039 179.482 177.584 -0.235 0.000 1.172 537 A CA 1.188 52.772 52.037 -0.756 0.000 0.786 537 A CB -1.476 16.900 19.000 -1.041 0.000 0.804 537 A HN 0.568 nan 8.150 nan 0.000 0.479 538 T N -3.645 110.875 114.554 -0.056 0.000 3.129 538 T HA 0.222 4.547 4.350 -0.042 0.000 0.251 538 T C 0.509 175.242 174.700 0.054 0.000 1.117 538 T CA 0.151 62.258 62.100 0.010 0.000 1.034 538 T CB 0.096 68.987 68.868 0.037 0.000 0.968 538 T HN 0.071 nan 8.240 nan 0.000 0.526 539 K N 0.910 121.396 120.400 0.143 0.000 2.469 539 K HA 0.401 4.696 4.320 -0.042 0.000 0.254 539 K C -0.526 176.140 176.600 0.112 0.000 0.939 539 K CA -0.555 55.738 56.287 0.010 0.000 0.812 539 K CB 2.102 34.370 32.500 -0.386 0.000 1.301 539 K HN -0.060 nan 8.250 nan 0.000 0.433 540 D N 0.277 120.698 120.400 0.035 0.000 2.194 540 D HA 0.007 4.622 4.640 -0.042 0.000 0.204 540 D C 0.015 176.373 176.300 0.096 0.000 0.964 540 D CA 0.716 54.785 54.000 0.115 0.000 0.846 540 D CB 0.350 41.271 40.800 0.202 0.000 0.962 540 D HN 0.147 nan 8.370 nan 0.000 0.490 541 L N -0.333 120.785 121.223 -0.175 0.000 2.493 541 L HA 0.456 4.771 4.340 -0.042 0.000 0.265 541 L C -2.053 174.679 176.870 -0.231 0.000 0.954 541 L CA -0.655 54.053 54.840 -0.220 0.000 0.844 541 L CB 1.471 42.962 42.059 -0.947 0.000 1.302 541 L HN -0.147 nan 8.230 nan 0.000 0.405 542 W N 4.202 125.495 121.300 -0.012 0.000 2.819 542 W HA 0.771 5.406 4.660 -0.042 0.000 0.337 542 W C -1.156 175.469 176.519 0.178 0.000 1.077 542 W CA -0.862 56.511 57.345 0.047 0.000 1.226 542 W CB 2.000 31.465 29.460 0.007 0.000 1.419 542 W HN 0.176 nan 8.180 nan 0.000 0.502 543 V N 2.584 122.707 119.914 0.348 0.000 2.531 543 V HA 0.719 4.814 4.120 -0.042 0.000 0.301 543 V C -0.077 176.218 176.094 0.334 0.000 1.034 543 V CA -0.800 61.692 62.300 0.321 0.000 0.865 543 V CB 1.426 33.350 31.823 0.168 0.000 0.995 543 V HN 0.589 nan 8.190 nan 0.000 0.424 544 T N 1.617 116.417 114.554 0.410 0.000 2.916 544 T HA 0.733 5.058 4.350 -0.042 0.000 0.292 544 T C -0.474 174.369 174.700 0.238 0.000 1.055 544 T CA -0.970 61.329 62.100 0.332 0.000 1.009 544 T CB 2.073 71.204 68.868 0.438 0.000 1.118 544 T HN 0.485 nan 8.240 nan 0.000 0.497 545 R N 1.198 121.796 120.500 0.162 0.000 2.347 545 R HA 0.316 4.631 4.340 -0.042 0.000 0.304 545 R C -0.701 175.665 176.300 0.111 0.000 1.072 545 R CA -0.885 55.290 56.100 0.125 0.000 0.980 545 R CB -0.739 29.609 30.300 0.080 0.000 0.986 545 R HN 0.776 nan 8.270 nan 0.000 0.448 546 Y N 3.168 123.473 120.300 0.008 0.000 2.683 546 Y HA 0.271 4.796 4.550 -0.042 0.000 0.340 546 Y C -0.649 175.208 175.900 -0.072 0.000 1.245 546 Y CA 0.991 59.067 58.100 -0.040 0.000 1.485 546 Y CB 0.522 38.935 38.460 -0.080 0.000 1.328 546 Y HN 0.760 nan 8.280 nan 0.000 0.603 547 A N 4.398 126.552 122.820 -1.111 0.000 2.532 547 A HA 0.260 4.555 4.320 -0.042 0.000 0.296 547 A C -0.148 176.774 177.584 -1.102 0.000 1.058 547 A CA -0.293 51.226 52.037 -0.863 0.000 0.729 547 A CB 0.435 19.155 19.000 -0.467 0.000 1.285 547 A HN 0.811 nan 8.150 nan 0.000 0.396 548 D N 1.321 121.261 120.400 -0.766 0.000 2.351 548 D HA -0.144 4.471 4.640 -0.042 0.000 0.216 548 D C 0.541 176.649 176.300 -0.320 0.000 0.968 548 D CA 1.536 55.269 54.000 -0.445 0.000 0.899 548 D CB 0.076 40.787 40.800 -0.149 0.000 0.907 548 D HN 0.550 nan 8.370 nan 0.000 0.514 549 D N -0.120 120.081 120.400 -0.331 0.000 2.395 549 D HA -0.030 4.585 4.640 -0.042 0.000 0.213 549 D C -0.270 175.827 176.300 -0.338 0.000 1.110 549 D CA -0.207 53.639 54.000 -0.256 0.000 0.835 549 D CB -0.495 40.204 40.800 -0.168 0.000 0.965 549 D HN 0.242 nan 8.370 nan 0.000 0.505 550 E N 0.874 120.786 120.200 -0.481 0.000 2.261 550 E HA 0.328 4.653 4.350 -0.042 0.000 0.239 550 E C 0.444 176.904 176.600 -0.234 0.000 0.991 550 E CA -0.269 55.750 56.400 -0.635 0.000 0.847 550 E CB 1.117 30.197 29.700 -1.034 0.000 1.223 550 E HN 0.110 nan 8.360 nan 0.000 0.446 551 R N 0.843 121.173 120.500 -0.283 0.000 2.225 551 R HA 0.119 4.434 4.340 -0.042 0.000 0.194 551 R C -0.103 175.882 176.300 -0.525 0.000 0.957 551 R CA 0.625 56.398 56.100 -0.545 0.000 1.042 551 R CB 0.481 30.132 30.300 -1.082 0.000 1.004 551 R HN 0.277 nan 8.270 nan 0.000 0.509 552 Y N -0.129 120.287 120.300 0.193 0.000 2.499 552 Y HA 0.296 4.821 4.550 -0.041 0.000 0.347 552 Y C -1.801 174.039 175.900 -0.099 0.000 0.987 552 Y CA -3.169 54.981 58.100 0.082 0.000 1.044 552 Y CB 1.299 39.701 38.460 -0.096 0.000 1.245 552 Y HN -0.199 nan 8.280 nan 0.000 0.461 553 P HA -0.102 nan 4.420 nan 0.000 0.222 553 P C 0.639 177.604 177.300 -0.559 0.000 1.147 553 P CA 1.624 64.318 63.100 -0.676 0.000 0.790 553 P CB 0.194 31.380 31.700 -0.856 0.000 0.780 554 T N -4.747 109.593 114.554 -0.358 0.000 3.044 554 T HA 0.514 4.838 4.350 -0.042 0.000 0.260 554 T C 0.888 175.384 174.700 -0.341 0.000 1.019 554 T CA 0.100 62.029 62.100 -0.284 0.000 0.921 554 T CB 0.053 68.829 68.868 -0.153 0.000 1.053 554 T HN 0.356 nan 8.240 nan 0.000 0.533 555 G N 1.300 109.949 108.800 -0.252 0.000 2.661 555 G HA2 -0.155 3.780 3.960 -0.042 0.000 0.685 555 G HA3 -0.155 3.780 3.960 -0.042 0.000 0.685 555 G C -0.179 174.650 174.900 -0.119 0.000 1.298 555 G CA -0.143 44.841 45.100 -0.194 0.000 0.855 555 G HN 0.145 nan 8.290 nan 0.000 0.560 556 D N -0.647 119.653 120.400 -0.166 0.000 2.183 556 D HA 0.014 4.629 4.640 -0.042 0.000 0.203 556 D C 0.601 176.437 176.300 -0.773 0.000 0.969 556 D CA 1.472 55.234 54.000 -0.397 0.000 0.842 556 D CB 0.071 40.557 40.800 -0.524 0.000 0.957 556 D HN 0.180 nan 8.370 nan 0.000 0.484 557 F N 0.499 120.367 119.950 -0.138 0.000 2.443 557 F HA 0.180 4.682 4.527 -0.043 0.000 0.369 557 F C 1.038 176.728 175.800 -0.183 0.000 1.090 557 F CA -0.599 57.301 58.000 -0.165 0.000 1.129 557 F CB 1.351 40.251 39.000 -0.166 0.000 1.367 557 F HN -0.352 nan 8.300 nan 0.000 0.465 558 V N 0.206 120.035 119.914 -0.142 0.000 2.407 558 V HA -0.160 3.935 4.120 -0.042 0.000 0.245 558 V C 1.271 177.236 176.094 -0.215 0.000 1.041 558 V CA 0.639 62.770 62.300 -0.282 0.000 1.040 558 V CB -0.495 31.055 31.823 -0.455 0.000 0.671 558 V HN 0.665 nan 8.190 nan 0.000 0.455 559 N N 1.520 120.142 118.700 -0.130 0.000 2.315 559 N HA -0.115 4.600 4.740 -0.042 0.000 0.270 559 N C 0.568 176.042 175.510 -0.060 0.000 1.329 559 N CA 0.789 53.783 53.050 -0.093 0.000 0.860 559 N CB -0.295 38.148 38.487 -0.073 0.000 1.095 559 N HN 0.519 nan 8.380 nan 0.000 0.487 560 Q N -0.130 119.634 119.800 -0.061 0.000 2.461 560 Q HA -0.311 4.004 4.340 -0.042 0.000 0.273 560 Q C -0.551 175.407 176.000 -0.071 0.000 1.163 560 Q CA 0.802 56.569 55.803 -0.059 0.000 0.929 560 Q CB -1.520 27.186 28.738 -0.053 0.000 1.334 560 Q HN 0.653 nan 8.270 nan 0.000 0.499 561 H N 0.289 119.271 119.070 -0.147 0.000 2.646 561 H HA 0.156 4.687 4.556 -0.042 0.000 0.325 561 H C 1.326 176.569 175.328 -0.141 0.000 1.075 561 H CA 0.828 56.797 56.048 -0.131 0.000 1.421 561 H CB 1.103 30.782 29.762 -0.137 0.000 1.461 561 H HN 0.326 nan 8.280 nan 0.000 0.525 562 S N 3.178 118.686 115.700 -0.319 0.000 2.359 562 S HA 0.007 4.451 4.470 -0.042 0.000 0.224 562 S C 1.014 175.585 174.600 -0.050 0.000 1.035 562 S CA 0.715 58.808 58.200 -0.177 0.000 1.018 562 S CB -0.006 63.069 63.200 -0.210 0.000 0.876 562 S HN 0.965 nan 8.310 nan 0.000 0.448 563 G N -2.009 106.849 108.800 0.097 0.000 2.358 563 G HA2 0.507 4.442 3.960 -0.042 0.000 0.303 563 G HA3 0.507 4.442 3.960 -0.042 0.000 0.303 563 G C 0.309 175.242 174.900 0.056 0.000 1.537 563 G CA -0.101 45.035 45.100 0.061 0.000 0.928 563 G HN 1.410 nan 8.290 nan 0.000 0.656 564 G N -0.781 108.007 108.800 -0.019 0.000 2.203 564 G HA2 0.051 3.986 3.960 -0.042 0.000 0.263 564 G HA3 0.051 3.986 3.960 -0.042 0.000 0.263 564 G C 1.593 176.408 174.900 -0.142 0.000 1.012 564 G CA 1.655 46.713 45.100 -0.070 0.000 0.749 564 G HN 2.311 nan 8.290 nan 0.000 0.512 565 A N -0.696 122.002 122.820 -0.203 0.000 1.873 565 A HA 0.281 4.575 4.320 -0.042 0.000 0.218 565 A C 2.436 179.722 177.584 -0.497 0.000 1.193 565 A CA 2.500 54.300 52.037 -0.394 0.000 0.629 565 A CB -0.759 17.758 19.000 -0.805 0.000 0.826 565 A HN 1.671 nan 8.150 nan 0.000 0.447 566 G N -1.429 106.996 108.800 -0.625 0.000 2.992 566 G HA2 0.291 4.225 3.960 -0.042 0.000 0.195 566 G HA3 0.291 4.225 3.960 -0.042 0.000 0.195 566 G C 1.269 175.313 174.900 -1.427 0.000 2.032 566 G CA 0.224 44.652 45.100 -1.120 0.000 0.831 566 G HN 0.293 nan 8.290 nan 0.000 0.647 567 L N 1.470 121.980 121.223 -1.187 0.000 2.034 567 L HA -0.152 4.163 4.340 -0.042 0.000 0.217 567 L C 0.043 176.592 176.870 -0.536 0.000 1.077 567 L CA 1.885 56.137 54.840 -0.979 0.000 0.769 567 L CB -1.326 39.888 42.059 -1.408 0.000 0.890 567 L HN 0.254 nan 8.230 nan 0.000 0.435 568 P HA -0.150 nan 4.420 nan 0.000 0.218 568 P C 1.853 179.095 177.300 -0.096 0.000 1.148 568 P CA 1.475 64.513 63.100 -0.104 0.000 0.822 568 P CB 0.107 31.758 31.700 -0.083 0.000 0.784 569 S N -2.144 113.424 115.700 -0.220 0.000 2.362 569 S HA -0.116 4.329 4.470 -0.042 0.000 0.221 569 S C 1.772 176.388 174.600 0.028 0.000 1.032 569 S CA 0.730 58.865 58.200 -0.109 0.000 0.973 569 S CB -0.894 62.215 63.200 -0.153 0.000 0.849 569 S HN -0.045 nan 8.310 nan 0.000 0.465 570 Y N 2.034 122.268 120.300 -0.111 0.000 2.097 570 Y HA -0.045 4.480 4.550 -0.042 0.000 0.282 570 Y C 2.397 178.278 175.900 -0.032 0.000 1.152 570 Y CA 0.055 58.100 58.100 -0.093 0.000 1.136 570 Y CB -1.145 37.217 38.460 -0.163 0.000 0.975 570 Y HN 0.236 nan 8.280 nan 0.000 0.498 571 I N 0.084 120.744 120.570 0.150 0.000 2.315 571 I HA -0.288 3.857 4.170 -0.042 0.000 0.251 571 I C 2.418 178.599 176.117 0.107 0.000 1.125 571 I CA 1.473 62.862 61.300 0.148 0.000 1.392 571 I CB -1.522 36.607 38.000 0.215 0.000 1.065 571 I HN 0.164 nan 8.210 nan 0.000 0.424 572 A N 0.020 122.889 122.820 0.083 0.000 2.125 572 A HA -0.216 4.078 4.320 -0.042 0.000 0.219 572 A C 2.158 179.776 177.584 0.056 0.000 1.156 572 A CA 1.108 53.181 52.037 0.060 0.000 0.671 572 A CB -0.513 18.513 19.000 0.043 0.000 0.794 572 A HN 0.535 nan 8.150 nan 0.000 0.459 573 Q N -1.459 118.381 119.800 0.066 0.000 2.224 573 Q HA -0.113 4.202 4.340 -0.042 0.000 0.203 573 Q C 0.117 176.146 176.000 0.048 0.000 0.970 573 Q CA 0.598 56.432 55.803 0.052 0.000 0.865 573 Q CB -0.031 28.736 28.738 0.048 0.000 0.922 573 Q HN 0.600 nan 8.270 nan 0.000 0.445 574 D N 0.521 120.957 120.400 0.059 0.000 2.699 574 D HA -0.157 4.458 4.640 -0.042 0.000 0.239 574 D C -0.939 175.391 176.300 0.051 0.000 1.136 574 D CA 0.581 54.614 54.000 0.055 0.000 0.668 574 D CB -0.608 40.218 40.800 0.043 0.000 1.060 574 D HN 0.203 nan 8.370 nan 0.000 0.429 575 R N 0.307 120.841 120.500 0.057 0.000 2.637 575 R HA 0.336 4.651 4.340 -0.042 0.000 0.269 575 R C 0.200 176.534 176.300 0.058 0.000 1.089 575 R CA -0.542 55.589 56.100 0.051 0.000 1.177 575 R CB 0.405 30.734 30.300 0.050 0.000 1.091 575 R HN 0.142 nan 8.270 nan 0.000 0.540 576 D N 1.853 122.284 120.400 0.052 0.000 2.339 576 D HA 0.035 4.650 4.640 -0.042 0.000 0.256 576 D C 0.632 176.971 176.300 0.065 0.000 1.214 576 D CA -0.060 53.973 54.000 0.054 0.000 0.877 576 D CB 0.518 41.345 40.800 0.045 0.000 1.111 576 D HN 0.535 nan 8.370 nan 0.000 0.478 577 I N -0.030 120.583 120.570 0.072 0.000 4.082 577 I HA 0.313 4.458 4.170 -0.042 0.000 0.337 577 I C 0.409 176.573 176.117 0.078 0.000 1.352 577 I CA -0.440 60.911 61.300 0.084 0.000 1.097 577 I CB 0.328 38.388 38.000 0.100 0.000 1.048 577 I HN 0.106 nan 8.210 nan 0.000 0.393 578 D N 3.210 123.650 120.400 0.067 0.000 2.435 578 D HA 0.284 4.899 4.640 -0.042 0.000 0.230 578 D C 1.119 177.454 176.300 0.059 0.000 1.215 578 D CA 0.751 54.788 54.000 0.061 0.000 0.947 578 D CB 0.158 40.990 40.800 0.052 0.000 1.048 578 D HN 0.562 nan 8.370 nan 0.000 0.512 579 G N 3.198 112.036 108.800 0.064 0.000 2.303 579 G HA2 -0.186 3.749 3.960 -0.042 0.000 0.260 579 G HA3 -0.186 3.749 3.960 -0.042 0.000 0.260 579 G C 0.001 174.942 174.900 0.068 0.000 1.106 579 G CA -0.259 44.878 45.100 0.062 0.000 0.900 579 G HN 0.495 nan 8.290 nan 0.000 0.495 580 Q N -0.765 119.083 119.800 0.080 0.000 2.892 580 Q HA 0.428 4.743 4.340 -0.042 0.000 0.307 580 Q C -0.919 175.148 176.000 0.111 0.000 1.039 580 Q CA -0.901 54.953 55.803 0.085 0.000 0.792 580 Q CB 0.844 29.628 28.738 0.077 0.000 1.504 580 Q HN 0.228 nan 8.270 nan 0.000 0.487 581 D N 1.697 122.160 120.400 0.105 0.000 2.338 581 D HA 0.337 4.952 4.640 -0.042 0.000 0.255 581 D C -0.404 175.982 176.300 0.142 0.000 1.237 581 D CA 0.029 54.099 54.000 0.117 0.000 0.883 581 D CB -0.146 40.637 40.800 -0.027 0.000 1.087 581 D HN 0.439 nan 8.370 nan 0.000 0.485 582 I N 0.008 120.669 120.570 0.151 0.000 3.108 582 I HA 0.694 4.839 4.170 -0.042 0.000 0.312 582 I C -1.069 175.116 176.117 0.113 0.000 1.095 582 I CA -1.089 60.297 61.300 0.143 0.000 1.000 582 I CB 2.234 40.309 38.000 0.126 0.000 1.229 582 I HN -0.053 nan 8.210 nan 0.000 0.454 583 V N 3.136 123.109 119.914 0.099 0.000 2.638 583 V HA 0.435 4.530 4.120 -0.042 0.000 0.306 583 V C -0.273 175.783 176.094 -0.063 0.000 1.052 583 V CA -0.662 61.602 62.300 -0.059 0.000 0.885 583 V CB 1.872 33.596 31.823 -0.164 0.000 0.999 583 V HN 0.560 nan 8.190 nan 0.000 0.424 584 V N 3.595 123.415 119.914 -0.157 0.000 2.435 584 V HA 0.474 4.569 4.120 -0.042 0.000 0.290 584 V C -1.140 174.889 176.094 -0.107 0.000 1.030 584 V CA -0.472 61.813 62.300 -0.025 0.000 0.881 584 V CB 1.643 33.456 31.823 -0.016 0.000 0.983 584 V HN 0.917 nan 8.190 nan 0.000 0.445 585 W N 3.980 125.331 121.300 0.085 0.000 2.362 585 W HA 0.511 5.145 4.660 -0.042 0.000 0.316 585 W C -0.159 176.462 176.519 0.170 0.000 1.024 585 W CA -0.596 56.805 57.345 0.093 0.000 1.270 585 W CB 0.566 30.063 29.460 0.060 0.000 1.273 585 W HN 0.578 nan 8.180 nan 0.000 0.424 586 H N 1.803 120.968 119.070 0.158 0.000 2.541 586 H HA 0.464 4.995 4.556 -0.042 0.000 0.316 586 H C -0.327 175.180 175.328 0.299 0.000 1.043 586 H CA -0.322 55.779 56.048 0.088 0.000 1.232 586 H CB 0.910 30.526 29.762 -0.244 0.000 1.406 586 H HN 0.176 nan 8.280 nan 0.000 0.469 587 T N 7.313 121.860 114.554 -0.012 0.000 2.780 587 T HA 0.405 4.730 4.350 -0.042 0.000 0.294 587 T C -0.939 173.662 174.700 -0.164 0.000 0.949 587 T CA -0.169 61.949 62.100 0.031 0.000 1.074 587 T CB -0.388 68.591 68.868 0.185 0.000 0.910 587 T HN 0.498 nan 8.240 nan 0.000 0.501 588 F N 0.136 119.983 119.950 -0.173 0.000 2.628 588 F HA 0.831 5.333 4.527 -0.042 0.000 0.309 588 F C -0.252 175.625 175.800 0.129 0.000 1.108 588 F CA -1.069 56.882 58.000 -0.083 0.000 0.971 588 F CB 1.024 39.945 39.000 -0.132 0.000 1.279 588 F HN 0.777 nan 8.300 nan 0.000 0.441 589 G N 1.890 110.786 108.800 0.161 0.000 2.606 589 G HA2 0.615 4.550 3.960 -0.042 0.000 0.300 589 G HA3 0.615 4.550 3.960 -0.042 0.000 0.300 589 G C -2.415 172.545 174.900 0.099 0.000 1.360 589 G CA -1.167 44.021 45.100 0.146 0.000 0.783 589 G HN 0.817 nan 8.290 nan 0.000 0.484 590 L N 0.395 121.632 121.223 0.024 0.000 2.334 590 L HA 0.601 4.916 4.340 -0.042 0.000 0.276 590 L C -0.155 176.553 176.870 -0.271 0.000 1.014 590 L CA -0.689 54.075 54.840 -0.126 0.000 0.815 590 L CB 2.351 44.231 42.059 -0.298 0.000 1.268 590 L HN 0.403 nan 8.230 nan 0.000 0.428 591 T N 0.766 115.170 114.554 -0.250 0.000 2.756 591 T HA 0.386 4.711 4.350 -0.042 0.000 0.290 591 T C -0.626 173.806 174.700 -0.446 0.000 0.985 591 T CA -0.426 61.437 62.100 -0.394 0.000 0.955 591 T CB 0.232 68.887 68.868 -0.355 0.000 0.930 591 T HN 0.422 nan 8.240 nan 0.000 0.451 592 H N 1.949 120.564 119.070 -0.758 0.000 2.466 592 H HA 0.411 4.942 4.556 -0.042 0.000 0.338 592 H C -1.021 173.770 175.328 -0.895 0.000 1.091 592 H CA -0.971 54.621 56.048 -0.759 0.000 1.207 592 H CB 1.104 30.454 29.762 -0.687 0.000 1.466 592 H HN 0.443 nan 8.280 nan 0.000 0.493 593 F N 3.304 123.114 119.950 -0.233 0.000 2.564 593 F HA 0.266 4.767 4.527 -0.043 0.000 0.368 593 F C -2.210 173.550 175.800 -0.066 0.000 1.127 593 F CA -2.699 55.098 58.000 -0.339 0.000 1.170 593 F CB 0.662 39.337 39.000 -0.542 0.000 1.397 593 F HN 0.376 nan 8.300 nan 0.000 0.493 594 P HA 0.091 nan 4.420 nan 0.000 0.264 594 P C -0.257 177.123 177.300 0.133 0.000 1.179 594 P CA 0.191 63.379 63.100 0.148 0.000 0.763 594 P CB 0.695 32.543 31.700 0.246 0.000 0.806 595 R N 1.274 121.819 120.500 0.075 0.000 2.828 595 R HA 0.359 4.674 4.340 -0.042 0.000 0.264 595 R C 1.159 177.503 176.300 0.073 0.000 1.022 595 R CA -1.009 55.126 56.100 0.059 0.000 1.021 595 R CB 0.501 30.818 30.300 0.029 0.000 1.163 595 R HN 0.080 nan 8.270 nan 0.000 0.494 596 V N 1.604 121.550 119.914 0.053 0.000 2.469 596 V HA -0.236 3.859 4.120 -0.042 0.000 0.251 596 V C 1.842 178.002 176.094 0.110 0.000 1.064 596 V CA 1.899 64.245 62.300 0.077 0.000 1.066 596 V CB -0.678 31.169 31.823 0.041 0.000 0.667 596 V HN 0.795 nan 8.190 nan 0.000 0.461 597 E N -0.375 119.865 120.200 0.066 0.000 2.482 597 E HA -0.151 4.173 4.350 -0.042 0.000 0.196 597 E C 0.961 177.587 176.600 0.044 0.000 1.047 597 E CA 0.632 57.060 56.400 0.047 0.000 0.869 597 E CB -0.332 29.378 29.700 0.017 0.000 0.836 597 E HN 0.556 nan 8.360 nan 0.000 0.520 598 D N -0.210 120.237 120.400 0.080 0.000 2.355 598 D HA -0.020 4.595 4.640 -0.042 0.000 0.218 598 D C -0.201 176.190 176.300 0.152 0.000 1.004 598 D CA 0.258 54.304 54.000 0.077 0.000 0.880 598 D CB 0.162 41.011 40.800 0.081 0.000 0.911 598 D HN 0.269 nan 8.370 nan 0.000 0.528 599 W N 2.248 123.544 121.300 -0.007 0.000 2.606 599 W HA 0.206 4.840 4.660 -0.044 0.000 0.332 599 W C -1.860 174.668 176.519 0.014 0.000 1.052 599 W CA -1.964 55.387 57.345 0.010 0.000 1.223 599 W CB 2.026 31.496 29.460 0.017 0.000 1.383 599 W HN -0.202 nan 8.180 nan 0.000 0.524 600 P HA 0.028 nan 4.420 nan 0.000 0.225 600 P C 0.189 177.014 177.300 -0.791 0.000 1.156 600 P CA 1.047 63.250 63.100 -1.495 0.000 0.787 600 P CB 1.476 32.653 31.700 -0.871 0.000 0.802 601 I N -0.562 119.734 120.570 -0.456 0.000 2.582 601 I HA 0.300 4.445 4.170 -0.042 0.000 0.292 601 I C -0.526 175.440 176.117 -0.252 0.000 1.066 601 I CA -1.676 59.358 61.300 -0.444 0.000 1.053 601 I CB 2.355 39.847 38.000 -0.846 0.000 1.241 601 I HN -0.302 nan 8.210 nan 0.000 0.421 602 M N 9.113 128.607 119.600 -0.176 0.000 2.200 602 M HA 0.320 4.775 4.480 -0.042 0.000 0.355 602 M C -2.308 173.932 176.300 -0.100 0.000 1.283 602 M CA -1.399 53.843 55.300 -0.097 0.000 1.124 602 M CB 0.438 33.004 32.600 -0.056 0.000 1.625 602 M HN 0.306 nan 8.290 nan 0.000 0.463 603 P HA 0.197 nan 4.420 nan 0.000 0.281 603 P C -0.637 176.645 177.300 -0.031 0.000 1.249 603 P CA -0.497 62.569 63.100 -0.057 0.000 0.810 603 P CB 0.766 32.437 31.700 -0.047 0.000 1.008 604 V N 2.447 122.357 119.914 -0.007 0.000 2.617 604 V HA -0.040 4.054 4.120 -0.042 0.000 0.304 604 V C 0.784 176.886 176.094 0.013 0.000 1.040 604 V CA 1.033 63.347 62.300 0.023 0.000 1.149 604 V CB -0.356 31.497 31.823 0.052 0.000 0.914 604 V HN 0.635 nan 8.190 nan 0.000 0.487 605 D N 2.684 123.103 120.400 0.032 0.000 2.342 605 D HA 0.663 5.278 4.640 -0.042 0.000 0.243 605 D C -0.179 176.143 176.300 0.037 0.000 1.019 605 D CA -0.209 53.821 54.000 0.050 0.000 0.864 605 D CB 2.145 43.019 40.800 0.123 0.000 1.315 605 D HN 0.744 nan 8.370 nan 0.000 0.468 606 T N -0.893 113.675 114.554 0.023 0.000 2.916 606 T HA 0.781 5.106 4.350 -0.042 0.000 0.292 606 T C -0.814 173.894 174.700 0.013 0.000 1.055 606 T CA -0.778 61.307 62.100 -0.025 0.000 1.009 606 T CB 1.543 70.376 68.868 -0.059 0.000 1.118 606 T HN 0.259 nan 8.240 nan 0.000 0.497 607 V N -0.343 119.536 119.914 -0.058 0.000 3.242 607 V HA 0.894 4.988 4.120 -0.042 0.000 0.298 607 V C -0.203 175.752 176.094 -0.232 0.000 1.352 607 V CA 0.504 62.813 62.300 0.014 0.000 1.052 607 V CB 1.703 33.591 31.823 0.108 0.000 1.101 607 V HN 1.715 nan 8.190 nan 0.000 0.446 608 G N 1.921 110.389 108.800 -0.554 0.000 2.356 608 G HA2 0.661 4.596 3.960 -0.042 0.000 0.281 608 G HA3 0.661 4.596 3.960 -0.042 0.000 0.281 608 G C -1.482 172.771 174.900 -1.078 0.000 1.246 608 G CA 0.240 44.822 45.100 -0.865 0.000 0.889 608 G HN 1.995 nan 8.290 nan 0.000 0.486 609 F N -1.146 118.395 119.950 -0.681 0.000 2.858 609 F HA 0.858 5.359 4.527 -0.042 0.000 0.319 609 F C -1.065 174.709 175.800 -0.042 0.000 1.166 609 F CA -0.859 56.967 58.000 -0.290 0.000 0.899 609 F CB 1.447 40.308 39.000 -0.232 0.000 1.332 609 F HN 0.866 nan 8.300 nan 0.000 0.461 610 K N 0.790 121.321 120.400 0.218 0.000 2.555 610 K HA 0.826 5.121 4.320 -0.042 0.000 0.279 610 K C -2.504 174.317 176.600 0.368 0.000 0.986 610 K CA -1.043 55.356 56.287 0.188 0.000 0.880 610 K CB 2.572 35.174 32.500 0.169 0.000 1.474 610 K HN 0.731 nan 8.250 nan 0.000 0.433 611 L N 1.376 122.819 121.223 0.366 0.000 2.381 611 L HA 0.571 4.886 4.340 -0.042 0.000 0.274 611 L C -0.594 176.533 176.870 0.429 0.000 0.988 611 L CA -0.498 54.581 54.840 0.399 0.000 0.824 611 L CB 2.057 44.380 42.059 0.439 0.000 1.263 611 L HN 0.577 nan 8.230 nan 0.000 0.410 612 R N 3.281 123.941 120.500 0.266 0.000 2.637 612 R HA 0.546 4.861 4.340 -0.042 0.000 0.291 612 R C -2.536 173.514 176.300 -0.417 0.000 0.963 612 R CA -1.905 54.235 56.100 0.066 0.000 0.901 612 R CB 1.816 32.207 30.300 0.152 0.000 1.160 612 R HN 0.305 nan 8.270 nan 0.000 0.457 613 P HA -0.061 nan 4.420 nan 0.000 0.265 613 P C -0.715 176.371 177.300 -0.356 0.000 1.193 613 P CA 0.293 62.780 63.100 -1.020 0.000 0.765 613 P CB 0.749 32.215 31.700 -0.390 0.000 0.823 614 E N 2.258 122.310 120.200 -0.248 0.000 3.108 614 E HA 0.437 4.762 4.350 -0.042 0.000 0.228 614 E C 0.692 177.286 176.600 -0.009 0.000 1.176 614 E CA -0.350 56.008 56.400 -0.070 0.000 0.881 614 E CB -0.689 28.985 29.700 -0.042 0.000 1.354 614 E HN 0.667 nan 8.360 nan 0.000 0.400 615 G N 2.677 111.483 108.800 0.011 0.000 2.136 615 G HA2 -0.356 3.579 3.960 -0.042 0.000 0.242 615 G HA3 -0.356 3.579 3.960 -0.042 0.000 0.242 615 G C 0.495 175.396 174.900 0.002 0.000 0.989 615 G CA 0.254 45.364 45.100 0.016 0.000 0.682 615 G HN 0.511 nan 8.290 nan 0.000 0.522 616 F N 0.367 120.199 119.950 -0.198 0.000 2.128 616 F HA 0.446 4.948 4.527 -0.042 0.000 0.295 616 F C 1.408 176.933 175.800 -0.458 0.000 1.100 616 F CA 0.755 58.532 58.000 -0.371 0.000 1.260 616 F CB -0.034 38.620 39.000 -0.576 0.000 1.009 616 F HN 0.130 nan 8.300 nan 0.000 0.476 617 F N 0.430 120.390 119.950 0.016 0.000 2.380 617 F HA 0.206 4.707 4.527 -0.042 0.000 0.319 617 F C 1.473 177.229 175.800 -0.073 0.000 1.113 617 F CA -0.683 57.276 58.000 -0.069 0.000 1.056 617 F CB 0.231 39.208 39.000 -0.038 0.000 1.289 617 F HN -0.243 nan 8.300 nan 0.000 0.515 618 D N -0.195 120.293 120.400 0.147 0.000 2.350 618 D HA 0.079 4.694 4.640 -0.042 0.000 0.213 618 D C 0.342 176.673 176.300 0.051 0.000 1.031 618 D CA 0.558 54.592 54.000 0.056 0.000 0.861 618 D CB 0.338 41.154 40.800 0.027 0.000 0.926 618 D HN 0.511 nan 8.370 nan 0.000 0.520 619 R N -1.898 118.644 120.500 0.071 0.000 2.888 619 R HA 0.227 4.541 4.340 -0.042 0.000 0.277 619 R C -0.759 175.540 176.300 -0.001 0.000 0.981 619 R CA -0.746 55.369 56.100 0.025 0.000 0.841 619 R CB 0.395 30.697 30.300 0.003 0.000 1.405 619 R HN -0.175 nan 8.270 nan 0.000 0.472 620 S N 1.018 116.695 115.700 -0.037 0.000 2.563 620 S HA 0.109 4.554 4.470 -0.042 0.000 0.294 620 S C -1.327 173.172 174.600 -0.167 0.000 1.279 620 S CA -0.839 57.308 58.200 -0.088 0.000 1.069 620 S CB 0.452 63.621 63.200 -0.051 0.000 0.828 620 S HN 0.505 nan 8.310 nan 0.000 0.497 621 P HA 0.116 nan 4.420 nan 0.000 0.257 621 P C 0.476 177.669 177.300 -0.178 0.000 1.281 621 P CA 0.188 63.025 63.100 -0.438 0.000 0.826 621 P CB -0.167 30.817 31.700 -1.193 0.000 1.237 622 V N -3.950 115.905 119.914 -0.098 0.000 3.006 622 V HA 0.233 4.328 4.120 -0.042 0.000 0.357 622 V C 1.585 177.700 176.094 0.035 0.000 1.377 622 V CA -0.118 62.176 62.300 -0.010 0.000 1.198 622 V CB -0.772 31.067 31.823 0.026 0.000 1.216 622 V HN -0.122 nan 8.190 nan 0.000 0.520 623 L N 1.124 122.359 121.223 0.021 0.000 2.291 623 L HA 0.022 4.337 4.340 -0.042 0.000 0.214 623 L C 2.153 179.061 176.870 0.064 0.000 1.120 623 L CA 1.461 56.334 54.840 0.056 0.000 0.799 623 L CB -0.338 41.730 42.059 0.016 0.000 0.925 623 L HN 0.538 nan 8.230 nan 0.000 0.446 624 D N 0.399 120.817 120.400 0.030 0.000 2.340 624 D HA -0.026 4.589 4.640 -0.042 0.000 0.220 624 D C 0.734 177.043 176.300 0.015 0.000 1.039 624 D CA 0.026 54.038 54.000 0.021 0.000 0.866 624 D CB -0.595 40.206 40.800 0.001 0.000 0.913 624 D HN 0.163 nan 8.370 nan 0.000 0.523 625 V N -1.013 118.915 119.914 0.023 0.000 2.555 625 V HA 0.373 4.468 4.120 -0.042 0.000 0.286 625 V C -2.038 174.061 176.094 0.008 0.000 1.044 625 V CA -1.507 60.796 62.300 0.006 0.000 1.026 625 V CB 0.596 32.425 31.823 0.010 0.000 0.981 625 V HN -0.086 nan 8.190 nan 0.000 0.480 626 P HA 0.314 nan 4.420 nan 0.000 0.275 626 P C 0.636 177.915 177.300 -0.035 0.000 1.266 626 P CA 0.141 63.236 63.100 -0.008 0.000 0.793 626 P CB 1.344 33.041 31.700 -0.006 0.000 1.074 627 A N 0.643 123.440 122.820 -0.039 0.000 1.832 627 A HA -0.086 4.209 4.320 -0.042 0.000 0.214 627 A C 0.594 178.149 177.584 -0.048 0.000 1.200 627 A CA 1.539 53.535 52.037 -0.068 0.000 0.610 627 A CB -1.529 17.441 19.000 -0.051 0.000 0.842 627 A HN 0.718 nan 8.150 nan 0.000 0.444 628 N N 0.000 118.685 118.700 -0.025 0.000 1.763 628 N HA 0.000 4.715 4.740 -0.042 0.000 0.220 628 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 628 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667