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 3kg2_1_B DATA FIRST_RESID 10 DATA SEQUENCE NSIQIGGLFP RGADQEYSAF RVGMVQFSTS EFRLTPHIDN LEVANSFAVT DATA SEQUENCE NAFcSQFSRG VYAIFGFYDK KSVNTITSFC GTLHVSFITP SFPTDGTHPF DATA SEQUENCE VIQMRPDLKG ALLSLIEYYQ WDKFAYLYDS DRGLSTLQAV LDSAAEKKWQ DATA SEQUENCE VTAINVGNIN NDKKDETYRS LFQDLELKKE RRVILDCERD KVNDIVDQVI DATA SEQUENCE TIGKHVKGYH YIIANLGFTD GDLLKIQFGG AEVSGFQIVD YDDSLVSKFI DATA SEQUENCE ERWSTLEEKE YPGAHTATIK YTSALTYDAV QVMTEAFRNL RKQRIEISRR DATA SEQUENCE GNAGDcLANP AVPWGQGVEI ERALKQVQVE GLSGNIKFDQ NGKRINYTIN DATA SEQUENCE IMELKTNGPR KIGYWSEVDK MVLTEDDTSG LEQKTVVVTT ILESPYVMMK DATA SEQUENCE ANHAALAGNE RYEGYCVDLA AEIAKHCGFK YKLTIVGDGK YGARDADTKI DATA SEQUENCE WNGMVGELVY GKADIAIAPL TITLVREEVI DFSKPFMSLG ISIMIKKPQK DATA SEQUENCE SKPGVFSFLD PLAYEIWMCI VFAYIGVSVV LFLVSXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXTN EFGIFNSLWF SLGAFMQXXX XXXPRSLSGR IVGGVWWFFT DATA SEQUENCE LIIISSYTAN LAAFLTVERM VSPIESAEDL SKQTEIAYGT LDSGSTKEFF DATA SEQUENCE RRSKIAVFDK MWTYMRSAEP SVFVRTTAEG VARVRKSKGK YAYLLESTMN DATA SEQUENCE EYIEQRKPcD TMKVGGNLDS KGYGIATPKG SSLGTPVNLA VLKLSEQGLL DATA SEQUENCE DKLKNKWWYD KGEcGAKDSG SKEKTSALSL SNVAGVFYIL VGGLGLAMLV DATA SEQUENCE ALIEFCYK 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.569 175.510 0.099 0.000 1.280 10 N CA 0.000 53.100 53.050 0.083 0.000 0.885 10 N CB 0.000 38.567 38.487 0.133 0.000 1.341 11 S N 3.049 118.792 115.700 0.071 0.000 2.520 11 S HA 0.503 4.974 4.470 0.002 0.000 0.324 11 S C -0.374 174.273 174.600 0.078 0.000 1.069 11 S CA -0.535 57.718 58.200 0.088 0.000 1.121 11 S CB 0.181 63.434 63.200 0.088 0.000 0.971 11 S HN 0.378 nan 8.310 nan 0.000 0.463 12 I N 4.440 125.053 120.570 0.070 0.000 2.306 12 I HA 0.365 4.536 4.170 0.002 0.000 0.288 12 I C 0.782 177.021 176.117 0.204 0.000 1.036 12 I CA -0.498 60.814 61.300 0.021 0.000 1.221 12 I CB 1.000 38.933 38.000 -0.112 0.000 1.385 12 I HN 0.663 nan 8.210 nan 0.000 0.472 13 Q N 8.214 128.232 119.800 0.364 0.000 2.288 13 Q HA 0.619 4.960 4.340 0.002 0.000 0.258 13 Q C -0.577 175.606 176.000 0.306 0.000 0.957 13 Q CA -0.271 55.701 55.803 0.282 0.000 0.919 13 Q CB 1.444 30.288 28.738 0.178 0.000 1.185 13 Q HN 0.747 nan 8.270 nan 0.000 0.408 14 I N -1.327 119.397 120.570 0.257 0.000 2.934 14 I HA 0.946 5.117 4.170 0.002 0.000 0.306 14 I C 0.305 176.577 176.117 0.258 0.000 1.110 14 I CA -1.471 59.984 61.300 0.258 0.000 1.019 14 I CB 2.595 40.759 38.000 0.273 0.000 1.227 14 I HN 0.608 nan 8.210 nan 0.000 0.434 15 G N 1.076 110.018 108.800 0.237 0.000 2.412 15 G HA2 0.633 4.594 3.960 0.002 0.000 0.318 15 G HA3 0.633 4.594 3.960 0.002 0.000 0.318 15 G C -0.560 174.503 174.900 0.272 0.000 1.146 15 G CA -0.838 44.407 45.100 0.242 0.000 0.882 15 G HN 1.077 nan 8.290 nan 0.000 0.501 16 G N 0.290 109.263 108.800 0.288 0.000 2.805 16 G HA2 0.474 4.435 3.960 0.002 0.000 0.283 16 G HA3 0.474 4.435 3.960 0.002 0.000 0.283 16 G C -0.994 174.085 174.900 0.298 0.000 1.508 16 G CA -0.438 44.853 45.100 0.319 0.000 1.042 16 G HN 0.444 nan 8.290 nan 0.000 0.543 17 L N 2.917 124.189 121.223 0.083 0.000 2.314 17 L HA 0.478 4.818 4.340 0.002 0.000 0.275 17 L C -0.690 176.194 176.870 0.023 0.000 1.068 17 L CA -0.450 54.452 54.840 0.104 0.000 0.894 17 L CB -0.018 42.119 42.059 0.129 0.000 1.275 17 L HN 0.389 nan 8.230 nan 0.000 0.432 18 F N 4.021 124.038 119.950 0.111 0.000 2.411 18 F HA 0.472 5.000 4.527 0.001 0.000 0.352 18 F C -1.788 174.018 175.800 0.009 0.000 1.123 18 F CA -2.301 55.768 58.000 0.115 0.000 1.044 18 F CB 1.171 40.215 39.000 0.073 0.000 1.135 18 F HN 0.305 nan 8.300 nan 0.000 0.461 19 P HA 0.119 nan 4.420 nan 0.000 0.268 19 P C -0.143 177.163 177.300 0.010 0.000 1.204 19 P CA -0.204 62.899 63.100 0.005 0.000 0.768 19 P CB 0.381 32.024 31.700 -0.095 0.000 0.842 20 R N 2.516 123.024 120.500 0.013 0.000 2.488 20 R HA 0.370 4.711 4.340 0.002 0.000 0.317 20 R C 1.390 177.687 176.300 -0.005 0.000 0.941 20 R CA 0.539 56.640 56.100 0.002 0.000 1.076 20 R CB -1.795 28.507 30.300 0.003 0.000 0.917 20 R HN 0.945 nan 8.270 nan 0.000 0.407 21 G N 0.002 108.801 108.800 -0.002 0.000 2.255 21 G HA2 0.143 4.104 3.960 0.002 0.000 0.196 21 G HA3 0.143 4.104 3.960 0.002 0.000 0.196 21 G C 0.768 175.677 174.900 0.015 0.000 0.998 21 G CA 0.156 45.259 45.100 0.004 0.000 0.656 21 G HN 1.967 nan 8.290 nan 0.000 0.490 22 A N 1.051 123.882 122.820 0.019 0.000 3.077 22 A HA 0.519 4.840 4.320 0.002 0.000 0.255 22 A C 1.366 179.051 177.584 0.170 0.000 1.728 22 A CA 1.032 53.104 52.037 0.059 0.000 1.383 22 A CB -0.317 18.701 19.000 0.030 0.000 1.097 22 A HN 0.242 nan 8.150 nan 0.000 0.634 23 D N 0.060 120.544 120.400 0.141 0.000 2.077 23 D HA -0.195 4.446 4.640 0.002 0.000 0.196 23 D C 1.868 178.337 176.300 0.281 0.000 0.986 23 D CA 1.610 55.718 54.000 0.180 0.000 0.829 23 D CB -0.261 40.616 40.800 0.128 0.000 0.983 23 D HN 0.718 nan 8.370 nan 0.000 0.453 24 Q N 0.218 120.187 119.800 0.281 0.000 2.170 24 Q HA -0.189 4.152 4.340 0.002 0.000 0.203 24 Q C 1.634 177.905 176.000 0.452 0.000 0.976 24 Q CA 1.242 57.282 55.803 0.395 0.000 0.858 24 Q CB 0.147 29.100 28.738 0.359 0.000 0.907 24 Q HN 0.134 nan 8.270 nan 0.000 0.433 25 E N -0.480 119.955 120.200 0.391 0.000 2.051 25 E HA -0.198 4.153 4.350 0.002 0.000 0.192 25 E C 1.477 178.490 176.600 0.688 0.000 0.991 25 E CA 1.337 58.045 56.400 0.514 0.000 0.799 25 E CB -0.357 29.617 29.700 0.457 0.000 0.748 25 E HN 0.439 nan 8.360 nan 0.000 0.449 26 Y N 0.852 121.393 120.300 0.401 0.000 2.263 26 Y HA -0.144 4.407 4.550 0.002 0.000 0.292 26 Y C 2.239 178.325 175.900 0.311 0.000 1.130 26 Y CA 1.375 59.547 58.100 0.121 0.000 1.179 26 Y CB -0.186 38.126 38.460 -0.246 0.000 0.998 26 Y HN -0.062 nan 8.280 nan 0.000 0.532 27 S N 0.250 116.182 115.700 0.387 0.000 2.370 27 S HA -0.232 4.239 4.470 0.002 0.000 0.226 27 S C 2.243 177.177 174.600 0.556 0.000 1.033 27 S CA 1.195 59.652 58.200 0.428 0.000 1.011 27 S CB -0.775 62.699 63.200 0.456 0.000 0.852 27 S HN 0.614 nan 8.310 nan 0.000 0.457 28 A N 0.421 123.644 122.820 0.672 0.000 1.969 28 A HA 0.016 4.337 4.320 0.002 0.000 0.218 28 A C 1.856 179.750 177.584 0.517 0.000 1.169 28 A CA 0.981 53.415 52.037 0.662 0.000 0.635 28 A CB -0.724 18.550 19.000 0.457 0.000 0.810 28 A HN 0.525 nan 8.150 nan 0.000 0.445 29 F N 0.526 120.632 119.950 0.261 0.000 2.186 29 F HA -0.125 4.403 4.527 0.002 0.000 0.299 29 F C 2.384 178.179 175.800 -0.009 0.000 1.090 29 F CA 1.606 59.669 58.000 0.104 0.000 1.307 29 F CB -0.033 39.047 39.000 0.133 0.000 1.019 29 F HN 0.111 nan 8.300 nan 0.000 0.489 30 R N -0.310 120.177 120.500 -0.022 0.000 2.062 30 R HA -0.102 4.239 4.340 0.002 0.000 0.229 30 R C 2.117 178.465 176.300 0.080 0.000 1.128 30 R CA 1.577 57.642 56.100 -0.059 0.000 0.960 30 R CB -0.863 29.440 30.300 0.005 0.000 0.855 30 R HN 0.202 nan 8.270 nan 0.000 0.432 31 V N 0.618 120.678 119.914 0.243 0.000 2.392 31 V HA -0.202 3.919 4.120 0.002 0.000 0.249 31 V C 2.359 178.607 176.094 0.256 0.000 1.059 31 V CA 2.131 64.581 62.300 0.249 0.000 1.051 31 V CB -0.976 31.073 31.823 0.377 0.000 0.658 31 V HN 0.579 nan 8.190 nan 0.000 0.455 32 G N -0.634 108.318 108.800 0.253 0.000 2.408 32 G HA2 -0.221 3.740 3.960 0.002 0.000 0.217 32 G HA3 -0.221 3.740 3.960 0.002 0.000 0.217 32 G C 1.506 176.414 174.900 0.012 0.000 1.150 32 G CA 0.834 45.981 45.100 0.079 0.000 0.776 32 G HN 0.331 nan 8.290 nan 0.000 0.542 33 M N 0.505 120.017 119.600 -0.146 0.000 2.213 33 M HA -0.022 4.459 4.480 0.002 0.000 0.263 33 M C 2.624 178.888 176.300 -0.060 0.000 1.062 33 M CA 0.800 56.011 55.300 -0.149 0.000 1.105 33 M CB -0.878 31.592 32.600 -0.216 0.000 1.385 33 M HN 0.145 nan 8.290 nan 0.000 0.417 34 V N -0.412 119.479 119.914 -0.038 0.000 2.446 34 V HA -0.184 3.937 4.120 0.002 0.000 0.244 34 V C 2.349 178.383 176.094 -0.100 0.000 1.039 34 V CA 1.448 63.723 62.300 -0.042 0.000 1.045 34 V CB -0.699 31.119 31.823 -0.008 0.000 0.681 34 V HN 0.359 nan 8.190 nan 0.000 0.459 35 Q N 0.145 119.845 119.800 -0.168 0.000 2.230 35 Q HA -0.046 4.295 4.340 0.002 0.000 0.202 35 Q C 1.033 176.673 176.000 -0.600 0.000 0.963 35 Q CA 1.703 57.267 55.803 -0.398 0.000 0.866 35 Q CB -0.099 28.341 28.738 -0.497 0.000 0.931 35 Q HN 0.626 nan 8.270 nan 0.000 0.452 36 F N 0.253 120.145 119.950 -0.095 0.000 2.850 36 F HA 0.347 4.875 4.527 0.001 0.000 0.306 36 F C -0.006 175.702 175.800 -0.154 0.000 1.162 36 F CA -0.559 57.364 58.000 -0.128 0.000 1.327 36 F CB 0.197 39.095 39.000 -0.169 0.000 0.953 36 F HN -0.094 nan 8.300 nan 0.000 0.507 37 S N -0.738 114.935 115.700 -0.045 0.000 2.475 37 S HA 0.598 5.069 4.470 0.002 0.000 0.281 37 S C -0.082 174.432 174.600 -0.144 0.000 1.198 37 S CA -0.403 57.739 58.200 -0.096 0.000 1.063 37 S CB 1.823 64.978 63.200 -0.075 0.000 0.972 37 S HN 0.159 nan 8.310 nan 0.000 0.486 38 T N 1.507 115.912 114.554 -0.248 0.000 2.907 38 T HA 0.480 4.831 4.350 0.002 0.000 0.290 38 T C 1.001 175.559 174.700 -0.236 0.000 1.066 38 T CA -0.646 61.298 62.100 -0.260 0.000 1.012 38 T CB 1.506 70.153 68.868 -0.370 0.000 1.184 38 T HN 0.563 nan 8.240 nan 0.000 0.522 39 S N 1.047 116.653 115.700 -0.156 0.000 2.461 39 S HA 0.071 4.542 4.470 0.002 0.000 0.228 39 S C 2.405 176.960 174.600 -0.076 0.000 1.005 39 S CA 1.224 59.368 58.200 -0.093 0.000 0.942 39 S CB -0.356 62.813 63.200 -0.053 0.000 0.776 39 S HN 0.859 nan 8.310 nan 0.000 0.514 40 E N 1.481 121.612 120.200 -0.114 0.000 2.118 40 E HA 0.050 4.401 4.350 0.002 0.000 0.195 40 E C 0.569 177.266 176.600 0.163 0.000 0.992 40 E CA 1.276 57.689 56.400 0.021 0.000 0.804 40 E CB -0.725 29.023 29.700 0.080 0.000 0.741 40 E HN 0.746 nan 8.360 nan 0.000 0.458 41 F N -5.593 114.351 119.950 -0.009 0.000 2.725 41 F HA 0.731 5.259 4.527 0.002 0.000 0.309 41 F C -0.621 175.175 175.800 -0.008 0.000 1.132 41 F CA -1.044 56.948 58.000 -0.015 0.000 0.957 41 F CB 0.893 39.874 39.000 -0.032 0.000 1.286 41 F HN 0.217 nan 8.300 nan 0.000 0.440 42 R N 1.571 122.170 120.500 0.166 0.000 2.670 42 R HA 0.874 5.215 4.340 0.002 0.000 0.289 42 R C -2.012 174.384 176.300 0.159 0.000 0.965 42 R CA -0.924 55.230 56.100 0.090 0.000 0.899 42 R CB 1.526 31.853 30.300 0.045 0.000 1.173 42 R HN 0.728 nan 8.270 nan 0.000 0.456 43 L N 1.419 122.721 121.223 0.131 0.000 2.292 43 L HA 0.505 4.846 4.340 0.002 0.000 0.284 43 L C 0.340 177.287 176.870 0.128 0.000 1.065 43 L CA -0.157 54.767 54.840 0.140 0.000 0.806 43 L CB 2.202 44.331 42.059 0.117 0.000 1.175 43 L HN 0.788 nan 8.230 nan 0.000 0.431 44 T N 4.526 119.176 114.554 0.159 0.000 3.042 44 T HA 0.376 4.727 4.350 0.002 0.000 0.356 44 T C -2.477 172.357 174.700 0.224 0.000 1.233 44 T CA -1.189 61.012 62.100 0.169 0.000 1.038 44 T CB 0.672 69.632 68.868 0.154 0.000 1.089 44 T HN 0.247 nan 8.240 nan 0.000 0.531 45 P HA 0.139 nan 4.420 nan 0.000 0.282 45 P C -0.465 177.028 177.300 0.321 0.000 1.262 45 P CA -0.336 62.979 63.100 0.359 0.000 0.773 45 P CB 0.325 32.327 31.700 0.502 0.000 0.879 46 H N 5.594 124.792 119.070 0.213 0.000 2.690 46 H HA 0.222 4.779 4.556 0.002 0.000 0.280 46 H C -0.399 175.030 175.328 0.168 0.000 1.138 46 H CA -0.628 55.513 56.048 0.156 0.000 1.241 46 H CB 0.413 30.238 29.762 0.105 0.000 1.394 46 H HN 0.215 nan 8.280 nan 0.000 0.489 47 I N 4.323 124.866 120.570 -0.044 0.000 2.441 47 I HA 0.064 4.235 4.170 0.002 0.000 0.287 47 I C 0.187 176.268 176.117 -0.060 0.000 1.049 47 I CA -0.095 61.219 61.300 0.023 0.000 1.381 47 I CB 0.869 38.848 38.000 -0.035 0.000 1.409 47 I HN 0.538 nan 8.210 nan 0.000 0.523 48 D N 5.345 125.790 120.400 0.075 0.000 2.473 48 D HA 0.217 4.857 4.640 0.002 0.000 0.253 48 D C -0.494 175.855 176.300 0.082 0.000 1.233 48 D CA -0.438 53.599 54.000 0.062 0.000 0.908 48 D CB 0.970 41.840 40.800 0.117 0.000 1.170 48 D HN 0.271 nan 8.370 nan 0.000 0.558 49 N N 2.544 121.259 118.700 0.025 0.000 2.439 49 N HA 0.317 5.058 4.740 0.002 0.000 0.243 49 N C -0.599 174.933 175.510 0.037 0.000 1.088 49 N CA -0.220 52.848 53.050 0.030 0.000 0.940 49 N CB 0.739 39.206 38.487 -0.033 0.000 1.180 49 N HN 0.285 nan 8.380 nan 0.000 0.505 50 L N 0.295 121.553 121.223 0.059 0.000 2.309 50 L HA 0.463 4.804 4.340 0.002 0.000 0.261 50 L C 0.851 177.753 176.870 0.053 0.000 1.021 50 L CA -0.956 53.916 54.840 0.053 0.000 0.823 50 L CB 0.694 42.787 42.059 0.056 0.000 1.366 50 L HN 0.446 nan 8.230 nan 0.000 0.423 51 E N 0.456 120.687 120.200 0.052 0.000 2.161 51 E HA 0.225 4.576 4.350 0.002 0.000 0.263 51 E C 1.036 177.671 176.600 0.058 0.000 1.185 51 E CA 0.577 57.007 56.400 0.050 0.000 0.938 51 E CB 0.272 30.003 29.700 0.051 0.000 1.023 51 E HN 0.601 nan 8.360 nan 0.000 0.433 52 V N 2.312 122.261 119.914 0.058 0.000 2.453 52 V HA -0.217 3.903 4.120 0.002 0.000 0.252 52 V C 2.465 178.608 176.094 0.082 0.000 1.068 52 V CA 3.009 65.354 62.300 0.076 0.000 1.070 52 V CB -0.558 31.313 31.823 0.081 0.000 0.664 52 V HN 0.925 nan 8.190 nan 0.000 0.461 53 A N 0.188 123.053 122.820 0.075 0.000 1.898 53 A HA -0.130 4.191 4.320 0.002 0.000 0.216 53 A C 1.519 179.146 177.584 0.071 0.000 1.181 53 A CA 1.332 53.415 52.037 0.077 0.000 0.620 53 A CB -0.694 18.345 19.000 0.066 0.000 0.819 53 A HN 0.626 nan 8.150 nan 0.000 0.442 54 N N 0.747 119.490 118.700 0.072 0.000 2.429 54 N HA 0.079 4.820 4.740 0.002 0.000 0.271 54 N C 0.771 176.331 175.510 0.084 0.000 1.272 54 N CA 0.619 53.721 53.050 0.087 0.000 0.921 54 N CB 0.637 39.189 38.487 0.107 0.000 1.128 54 N HN 0.233 nan 8.380 nan 0.000 0.481 55 S N 3.403 119.152 115.700 0.081 0.000 2.368 55 S HA -0.136 4.335 4.470 0.002 0.000 0.225 55 S C 1.451 176.083 174.600 0.052 0.000 1.030 55 S CA 0.613 58.841 58.200 0.047 0.000 0.999 55 S CB -0.355 62.873 63.200 0.047 0.000 0.844 55 S HN 0.721 nan 8.310 nan 0.000 0.459 56 F N 2.748 122.687 119.950 -0.019 0.000 2.069 56 F HA -0.150 4.378 4.527 0.002 0.000 0.298 56 F C 2.366 178.151 175.800 -0.024 0.000 1.113 56 F CA 1.261 59.249 58.000 -0.020 0.000 1.214 56 F CB -0.826 38.172 39.000 -0.004 0.000 0.978 56 F HN 0.173 nan 8.300 nan 0.000 0.474 57 A N 0.051 122.911 122.820 0.067 0.000 1.908 57 A HA -0.170 4.150 4.320 0.002 0.000 0.218 57 A C 2.283 179.795 177.584 -0.120 0.000 1.181 57 A CA 2.140 54.155 52.037 -0.038 0.000 0.627 57 A CB -1.492 17.567 19.000 0.097 0.000 0.818 57 A HN 0.323 nan 8.150 nan 0.000 0.445 58 V N -0.088 119.778 119.914 -0.081 0.000 2.490 58 V HA -0.233 3.888 4.120 0.002 0.000 0.250 58 V C 2.704 178.686 176.094 -0.187 0.000 1.061 58 V CA 2.409 64.656 62.300 -0.089 0.000 1.064 58 V CB -1.281 30.497 31.823 -0.076 0.000 0.670 58 V HN 0.644 nan 8.190 nan 0.000 0.461 59 T N 0.231 114.600 114.554 -0.308 0.000 2.777 59 T HA -0.161 4.190 4.350 0.002 0.000 0.266 59 T C 1.809 176.304 174.700 -0.343 0.000 1.040 59 T CA 1.725 63.551 62.100 -0.457 0.000 1.141 59 T CB -0.370 68.223 68.868 -0.458 0.000 0.868 59 T HN 0.442 nan 8.240 nan 0.000 0.444 60 N N 1.587 120.064 118.700 -0.370 0.000 2.106 60 N HA 0.046 4.787 4.740 0.002 0.000 0.188 60 N C 2.066 177.512 175.510 -0.107 0.000 1.029 60 N CA 1.297 54.190 53.050 -0.260 0.000 0.848 60 N CB -0.660 37.633 38.487 -0.324 0.000 1.007 60 N HN 0.412 nan 8.380 nan 0.000 0.423 61 A N -0.237 122.544 122.820 -0.065 0.000 2.024 61 A HA -0.125 4.196 4.320 0.002 0.000 0.220 61 A C 2.059 179.680 177.584 0.062 0.000 1.164 61 A CA 0.974 53.024 52.037 0.022 0.000 0.643 61 A CB -0.825 18.207 19.000 0.054 0.000 0.806 61 A HN 0.368 nan 8.150 nan 0.000 0.451 62 F N -0.003 119.876 119.950 -0.119 0.000 2.149 62 F HA -0.136 4.392 4.527 0.002 0.000 0.294 62 F C 2.353 178.122 175.800 -0.053 0.000 1.095 62 F CA 1.694 59.632 58.000 -0.104 0.000 1.276 62 F CB -0.446 38.389 39.000 -0.276 0.000 1.023 62 F HN 0.259 nan 8.300 nan 0.000 0.480 63 c N -0.403 118.192 118.600 -0.009 0.000 2.432 63 c HA -0.091 4.480 4.570 0.002 0.000 0.280 63 c C 3.154 177.236 174.090 -0.014 0.000 1.353 63 c CA 1.245 57.575 56.329 0.001 0.000 1.766 63 c CB -1.388 41.144 42.510 0.038 0.000 1.924 63 c HN 0.668 nan 8.230 nan 0.000 0.509 64 S N 0.552 116.226 115.700 -0.043 0.000 2.355 64 S HA -0.162 4.309 4.470 0.002 0.000 0.222 64 S C 2.344 176.884 174.600 -0.100 0.000 1.031 64 S CA 2.180 60.350 58.200 -0.050 0.000 0.993 64 S CB -0.372 62.821 63.200 -0.013 0.000 0.859 64 S HN 0.710 nan 8.310 nan 0.000 0.453 65 Q N -0.323 119.421 119.800 -0.093 0.000 2.291 65 Q HA 0.063 4.404 4.340 0.002 0.000 0.205 65 Q C 1.816 177.710 176.000 -0.178 0.000 0.970 65 Q CA 1.519 57.249 55.803 -0.122 0.000 0.876 65 Q CB -1.122 27.598 28.738 -0.030 0.000 0.935 65 Q HN 0.822 nan 8.270 nan 0.000 0.455 66 F N 0.489 120.209 119.950 -0.382 0.000 2.270 66 F HA 0.054 4.582 4.527 0.002 0.000 0.295 66 F C 2.381 177.988 175.800 -0.322 0.000 1.087 66 F CA 1.509 59.260 58.000 -0.415 0.000 1.365 66 F CB 0.115 38.811 39.000 -0.506 0.000 1.056 66 F HN 0.223 nan 8.300 nan 0.000 0.506 67 S N 0.285 115.818 115.700 -0.277 0.000 2.406 67 S HA -0.103 4.368 4.470 0.002 0.000 0.228 67 S C 2.236 176.630 174.600 -0.343 0.000 1.020 67 S CA 1.112 59.121 58.200 -0.319 0.000 0.965 67 S CB -0.572 62.538 63.200 -0.150 0.000 0.798 67 S HN 0.513 nan 8.310 nan 0.000 0.488 68 R N 1.330 121.644 120.500 -0.311 0.000 2.328 68 R HA 0.340 4.681 4.340 0.002 0.000 0.207 68 R C 1.263 177.354 176.300 -0.348 0.000 1.056 68 R CA 0.859 56.775 56.100 -0.306 0.000 1.016 68 R CB -1.742 28.350 30.300 -0.345 0.000 0.872 68 R HN 0.740 nan 8.270 nan 0.000 0.471 69 G N 0.149 108.661 108.800 -0.480 0.000 2.462 69 G HA2 -0.049 3.912 3.960 0.002 0.000 0.283 69 G HA3 -0.049 3.912 3.960 0.002 0.000 0.283 69 G C 0.199 174.763 174.900 -0.559 0.000 1.043 69 G CA 0.370 45.103 45.100 -0.612 0.000 1.300 69 G HN 1.608 nan 8.290 nan 0.000 0.518 70 V N -1.241 118.404 119.914 -0.448 0.000 2.837 70 V HA 0.799 4.920 4.120 0.002 0.000 0.310 70 V C 1.117 177.063 176.094 -0.247 0.000 1.059 70 V CA -0.832 61.317 62.300 -0.252 0.000 1.004 70 V CB 1.178 32.980 31.823 -0.034 0.000 1.045 70 V HN 0.313 nan 8.190 nan 0.000 0.465 71 Y N 1.610 122.000 120.300 0.150 0.000 2.509 71 Y HA 0.732 5.283 4.550 0.002 0.000 0.270 71 Y C 1.104 177.193 175.900 0.317 0.000 1.103 71 Y CA 0.727 59.023 58.100 0.326 0.000 1.278 71 Y CB 0.366 38.973 38.460 0.246 0.000 1.087 71 Y HN 1.009 nan 8.280 nan 0.000 0.542 72 A N -0.078 122.961 122.820 0.365 0.000 2.612 72 A HA 0.707 5.028 4.320 0.002 0.000 0.293 72 A C -1.691 176.038 177.584 0.242 0.000 1.075 72 A CA -0.617 51.596 52.037 0.293 0.000 0.680 72 A CB 0.870 20.010 19.000 0.233 0.000 1.279 72 A HN 0.066 nan 8.150 nan 0.000 0.411 73 I N 0.966 121.667 120.570 0.218 0.000 2.466 73 I HA 0.452 4.622 4.170 0.002 0.000 0.289 73 I C -1.237 174.817 176.117 -0.104 0.000 1.026 73 I CA -0.310 61.086 61.300 0.160 0.000 1.078 73 I CB 1.912 40.106 38.000 0.323 0.000 1.249 73 I HN 0.661 nan 8.210 nan 0.000 0.429 74 F N 5.829 125.627 119.950 -0.253 0.000 2.444 74 F HA 0.851 5.379 4.527 0.002 0.000 0.342 74 F C 0.127 175.543 175.800 -0.640 0.000 1.121 74 F CA -0.003 57.692 58.000 -0.509 0.000 0.997 74 F CB 1.404 40.278 39.000 -0.211 0.000 1.130 74 F HN 0.505 nan 8.300 nan 0.000 0.454 75 G N 3.996 111.762 108.800 -1.723 0.000 2.578 75 G HA2 0.517 4.478 3.960 0.002 0.000 0.302 75 G HA3 0.517 4.478 3.960 0.002 0.000 0.302 75 G C -2.128 171.986 174.900 -1.310 0.000 1.243 75 G CA -0.750 43.610 45.100 -1.234 0.000 0.843 75 G HN 0.471 nan 8.290 nan 0.000 0.486 76 F N -0.388 119.339 119.950 -0.371 0.000 2.620 76 F HA 0.781 5.309 4.527 0.002 0.000 0.320 76 F C -0.547 175.184 175.800 -0.115 0.000 1.069 76 F CA -0.806 56.984 58.000 -0.349 0.000 0.953 76 F CB 2.364 41.163 39.000 -0.336 0.000 1.322 76 F HN 0.655 nan 8.300 nan 0.000 0.479 77 Y N -1.349 119.015 120.300 0.106 0.000 2.588 77 Y HA 0.736 5.287 4.550 0.001 0.000 0.343 77 Y C -1.446 174.508 175.900 0.091 0.000 1.065 77 Y CA -1.678 56.432 58.100 0.016 0.000 1.038 77 Y CB 0.829 39.206 38.460 -0.140 0.000 1.297 77 Y HN 0.501 nan 8.280 nan 0.000 0.467 78 D N 0.259 120.890 120.400 0.386 0.000 2.440 78 D HA 0.402 5.043 4.640 0.002 0.000 0.258 78 D C 0.990 177.580 176.300 0.484 0.000 1.092 78 D CA 0.232 54.476 54.000 0.407 0.000 1.016 78 D CB 1.851 42.785 40.800 0.223 0.000 1.141 78 D HN 0.862 nan 8.370 nan 0.000 0.552 79 K N 0.074 120.705 120.400 0.385 0.000 2.442 79 K HA -0.022 4.299 4.320 0.002 0.000 0.198 79 K C 1.711 178.408 176.600 0.161 0.000 1.044 79 K CA 2.202 58.647 56.287 0.264 0.000 0.948 79 K CB -1.166 31.367 32.500 0.055 0.000 0.762 79 K HN 0.497 nan 8.250 nan 0.000 0.472 80 K N 0.201 120.683 120.400 0.137 0.000 2.287 80 K HA 0.104 4.425 4.320 0.002 0.000 0.199 80 K C 2.279 178.905 176.600 0.043 0.000 1.061 80 K CA 1.407 57.739 56.287 0.075 0.000 0.976 80 K CB -0.367 32.174 32.500 0.068 0.000 0.898 80 K HN 0.709 nan 8.250 nan 0.000 0.492 81 S N 0.111 115.843 115.700 0.055 0.000 2.548 81 S HA 0.020 4.491 4.470 0.002 0.000 0.215 81 S C 1.960 176.488 174.600 -0.119 0.000 0.976 81 S CA 0.740 58.933 58.200 -0.011 0.000 0.908 81 S CB 0.170 63.383 63.200 0.023 0.000 0.781 81 S HN 0.329 nan 8.310 nan 0.000 0.519 82 V N 3.175 123.004 119.914 -0.141 0.000 2.332 82 V HA -0.233 3.888 4.120 0.002 0.000 0.248 82 V C 2.019 177.800 176.094 -0.522 0.000 1.055 82 V CA 2.323 64.295 62.300 -0.548 0.000 1.038 82 V CB -0.894 30.624 31.823 -0.508 0.000 0.651 82 V HN 0.508 nan 8.190 nan 0.000 0.450 83 N N -0.094 118.431 118.700 -0.292 0.000 2.244 83 N HA -0.120 4.621 4.740 0.002 0.000 0.183 83 N C 1.808 177.185 175.510 -0.221 0.000 1.016 83 N CA 1.929 54.830 53.050 -0.248 0.000 0.866 83 N CB -0.587 37.824 38.487 -0.126 0.000 0.980 83 N HN 0.561 nan 8.380 nan 0.000 0.430 84 T N 2.329 116.768 114.554 -0.191 0.000 2.708 84 T HA -0.030 4.321 4.350 0.002 0.000 0.266 84 T C 2.007 176.551 174.700 -0.260 0.000 1.037 84 T CA 0.560 62.576 62.100 -0.140 0.000 1.146 84 T CB 0.004 68.764 68.868 -0.179 0.000 0.865 84 T HN 0.078 nan 8.240 nan 0.000 0.435 85 I N 2.346 122.643 120.570 -0.456 0.000 2.113 85 I HA -0.169 4.002 4.170 0.002 0.000 0.238 85 I C 3.075 178.877 176.117 -0.526 0.000 1.070 85 I CA 2.106 63.011 61.300 -0.657 0.000 1.332 85 I CB -1.954 35.509 38.000 -0.894 0.000 1.044 85 I HN 0.436 nan 8.210 nan 0.000 0.402 86 T N -2.061 112.193 114.554 -0.499 0.000 2.778 86 T HA -0.191 4.160 4.350 0.002 0.000 0.269 86 T C 2.110 176.686 174.700 -0.206 0.000 1.050 86 T CA 1.934 63.813 62.100 -0.367 0.000 1.137 86 T CB -0.573 67.936 68.868 -0.599 0.000 0.860 86 T HN 0.238 nan 8.240 nan 0.000 0.468 87 S N -0.005 115.571 115.700 -0.207 0.000 2.336 87 S HA 0.093 4.564 4.470 0.002 0.000 0.216 87 S C 1.625 176.090 174.600 -0.226 0.000 1.032 87 S CA 0.519 58.617 58.200 -0.170 0.000 0.973 87 S CB -0.670 62.430 63.200 -0.167 0.000 0.888 87 S HN 0.529 nan 8.310 nan 0.000 0.455 88 F N 1.519 121.222 119.950 -0.411 0.000 2.102 88 F HA -0.136 4.392 4.527 0.002 0.000 0.298 88 F C 2.817 178.412 175.800 -0.341 0.000 1.105 88 F CA 1.282 58.988 58.000 -0.490 0.000 1.239 88 F CB -0.658 37.720 39.000 -1.036 0.000 0.991 88 F HN 0.310 nan 8.300 nan 0.000 0.474 89 C N -0.133 119.070 119.300 -0.162 0.000 2.419 89 C HA -0.108 4.353 4.460 0.002 0.000 0.281 89 C C 2.996 177.930 174.990 -0.093 0.000 1.336 89 C CA 1.171 60.204 59.018 0.026 0.000 1.770 89 C CB -1.816 25.977 27.740 0.087 0.000 1.929 89 C HN 0.674 nan 8.230 nan 0.000 0.509 90 G N -0.319 108.427 108.800 -0.089 0.000 2.453 90 G HA2 -0.081 3.880 3.960 0.002 0.000 0.215 90 G HA3 -0.081 3.880 3.960 0.002 0.000 0.215 90 G C 1.693 176.495 174.900 -0.163 0.000 1.147 90 G CA 1.324 46.371 45.100 -0.088 0.000 0.802 90 G HN 0.485 nan 8.290 nan 0.000 0.535 91 T N 1.244 115.722 114.554 -0.127 0.000 2.851 91 T HA 0.086 4.437 4.350 0.002 0.000 0.262 91 T C 2.077 176.789 174.700 0.020 0.000 1.043 91 T CA 0.419 62.476 62.100 -0.073 0.000 1.140 91 T CB -0.098 68.655 68.868 -0.191 0.000 0.872 91 T HN 0.101 nan 8.240 nan 0.000 0.446 92 L N 0.299 121.506 121.223 -0.026 0.000 2.611 92 L HA 0.237 4.578 4.340 0.002 0.000 0.229 92 L C 0.268 177.208 176.870 0.117 0.000 1.137 92 L CA 0.073 54.931 54.840 0.029 0.000 0.901 92 L CB -0.598 41.374 42.059 -0.144 0.000 1.098 92 L HN 0.359 nan 8.230 nan 0.000 0.456 93 H N -1.742 117.034 119.070 -0.490 0.000 2.822 93 H HA -0.130 4.427 4.556 0.002 0.000 0.295 93 H C -0.151 174.797 175.328 -0.633 0.000 1.151 93 H CA 0.226 55.543 56.048 -1.219 0.000 1.151 93 H CB -2.054 27.330 29.762 -0.630 0.000 1.343 93 H HN 0.049 nan 8.280 nan 0.000 0.382 94 V N 0.412 120.284 119.914 -0.070 0.000 2.465 94 V HA 0.275 4.396 4.120 0.002 0.000 0.279 94 V C 0.828 177.156 176.094 0.389 0.000 1.045 94 V CA -0.347 62.145 62.300 0.320 0.000 0.938 94 V CB 1.927 34.009 31.823 0.433 0.000 0.986 94 V HN 0.353 nan 8.190 nan 0.000 0.467 95 S N 4.713 120.686 115.700 0.454 0.000 2.545 95 S HA 0.514 4.985 4.470 0.002 0.000 0.275 95 S C -0.639 174.199 174.600 0.396 0.000 1.299 95 S CA -0.150 58.302 58.200 0.419 0.000 1.048 95 S CB 0.315 63.689 63.200 0.290 0.000 0.938 95 S HN 0.565 nan 8.310 nan 0.000 0.496 96 F N 3.729 123.793 119.950 0.190 0.000 2.496 96 F HA 0.543 5.071 4.527 0.001 0.000 0.341 96 F C -1.251 174.588 175.800 0.066 0.000 1.134 96 F CA -1.000 57.082 58.000 0.136 0.000 0.968 96 F CB 0.420 39.499 39.000 0.132 0.000 1.205 96 F HN 0.334 nan 8.300 nan 0.000 0.436 97 I N 4.718 125.090 120.570 -0.331 0.000 2.331 97 I HA 0.468 4.639 4.170 0.002 0.000 0.292 97 I C 0.152 175.921 176.117 -0.579 0.000 0.998 97 I CA -0.084 61.081 61.300 -0.224 0.000 1.267 97 I CB 1.680 39.691 38.000 0.018 0.000 1.386 97 I HN 0.561 nan 8.210 nan 0.000 0.476 98 T N 6.484 120.801 114.554 -0.395 0.000 2.993 98 T HA 0.491 4.841 4.350 0.002 0.000 0.312 98 T C -2.441 172.022 174.700 -0.395 0.000 1.115 98 T CA -1.503 60.194 62.100 -0.672 0.000 1.027 98 T CB 1.925 70.492 68.868 -0.502 0.000 1.116 98 T HN 0.255 nan 8.240 nan 0.000 0.464 99 P HA 0.216 nan 4.420 nan 0.000 0.240 99 P C 0.412 177.658 177.300 -0.090 0.000 1.190 99 P CA 0.078 63.095 63.100 -0.138 0.000 0.781 99 P CB 0.201 31.906 31.700 0.008 0.000 0.931 100 S N 0.652 116.185 115.700 -0.280 0.000 2.612 100 S HA 0.161 4.631 4.470 0.002 0.000 0.253 100 S C 0.388 174.890 174.600 -0.164 0.000 1.346 100 S CA -0.465 57.581 58.200 -0.257 0.000 0.976 100 S CB -0.430 62.299 63.200 -0.785 0.000 0.949 100 S HN 0.197 nan 8.310 nan 0.000 0.584 101 F N 0.189 120.164 119.950 0.040 0.000 2.602 101 F HA 0.394 4.922 4.527 0.002 0.000 0.367 101 F C -2.552 173.359 175.800 0.185 0.000 1.126 101 F CA -2.387 55.690 58.000 0.127 0.000 1.321 101 F CB -1.324 37.767 39.000 0.152 0.000 1.094 101 F HN 0.180 nan 8.300 nan 0.000 0.594 102 P HA 0.079 nan 4.420 nan 0.000 0.267 102 P C -0.292 177.187 177.300 0.300 0.000 1.200 102 P CA -0.230 63.002 63.100 0.220 0.000 0.772 102 P CB 0.518 32.325 31.700 0.178 0.000 0.855 103 T N -1.227 113.457 114.554 0.216 0.000 2.919 103 T HA 0.129 4.480 4.350 0.002 0.000 0.302 103 T C 0.041 174.893 174.700 0.252 0.000 1.031 103 T CA -0.675 61.548 62.100 0.205 0.000 1.127 103 T CB 0.003 68.956 68.868 0.142 0.000 0.952 103 T HN 0.178 nan 8.240 nan 0.000 0.540 104 D N 2.850 123.403 120.400 0.255 0.000 2.600 104 D HA 0.498 5.139 4.640 0.002 0.000 0.226 104 D C 0.964 177.373 176.300 0.181 0.000 1.119 104 D CA 0.620 54.737 54.000 0.195 0.000 1.051 104 D CB -0.310 40.584 40.800 0.157 0.000 1.106 104 D HN 1.016 nan 8.370 nan 0.000 0.491 105 G N -0.069 108.810 108.800 0.131 0.000 2.356 105 G HA2 0.150 4.111 3.960 0.002 0.000 0.266 105 G HA3 0.150 4.111 3.960 0.002 0.000 0.266 105 G C -0.863 173.994 174.900 -0.072 0.000 1.312 105 G CA -0.377 44.712 45.100 -0.018 0.000 0.922 105 G HN 0.213 nan 8.290 nan 0.000 0.480 106 T N -1.574 112.825 114.554 -0.258 0.000 3.250 106 T HA 0.602 4.953 4.350 0.002 0.000 0.391 106 T C -0.782 173.759 174.700 -0.265 0.000 1.502 106 T CA -0.368 61.630 62.100 -0.169 0.000 1.320 106 T CB 0.142 68.947 68.868 -0.106 0.000 1.102 106 T HN 0.660 nan 8.240 nan 0.000 0.610 107 H N 2.790 121.863 119.070 0.005 0.000 2.640 107 H HA 0.452 5.009 4.556 0.002 0.000 0.297 107 H C -2.359 172.978 175.328 0.014 0.000 1.073 107 H CA -1.588 54.459 56.048 -0.001 0.000 1.305 107 H CB 0.714 30.460 29.762 -0.025 0.000 1.404 107 H HN 0.382 nan 8.280 nan 0.000 0.459 108 P HA -0.005 nan 4.420 nan 0.000 0.271 108 P C -0.293 177.113 177.300 0.177 0.000 1.233 108 P CA -0.303 62.818 63.100 0.036 0.000 0.789 108 P CB 0.399 32.111 31.700 0.020 0.000 0.951 109 F N -2.568 117.375 119.950 -0.013 0.000 3.074 109 F HA -0.171 4.357 4.527 0.002 0.000 0.289 109 F C -0.322 175.530 175.800 0.086 0.000 0.863 109 F CA 0.444 58.456 58.000 0.020 0.000 1.121 109 F CB -1.983 37.021 39.000 0.008 0.000 1.169 109 F HN -0.061 nan 8.300 nan 0.000 0.570 110 V N 1.933 121.952 119.914 0.176 0.000 2.569 110 V HA 0.478 4.599 4.120 0.002 0.000 0.301 110 V C 0.004 176.169 176.094 0.119 0.000 1.044 110 V CA -0.885 61.538 62.300 0.204 0.000 0.874 110 V CB 2.316 34.254 31.823 0.190 0.000 1.002 110 V HN 0.017 nan 8.190 nan 0.000 0.424 111 I N 4.390 125.015 120.570 0.091 0.000 2.330 111 I HA 0.466 4.637 4.170 0.002 0.000 0.289 111 I C 0.049 176.215 176.117 0.082 0.000 1.001 111 I CA -0.428 60.871 61.300 -0.002 0.000 1.193 111 I CB 1.469 39.365 38.000 -0.173 0.000 1.345 111 I HN 0.696 nan 8.210 nan 0.000 0.461 112 Q N 5.784 125.683 119.800 0.164 0.000 2.347 112 Q HA 0.403 4.744 4.340 0.002 0.000 0.262 112 Q C 0.665 176.775 176.000 0.183 0.000 0.980 112 Q CA -0.607 55.282 55.803 0.143 0.000 0.867 112 Q CB 2.523 31.343 28.738 0.137 0.000 1.242 112 Q HN 0.464 nan 8.270 nan 0.000 0.453 113 M N 0.651 120.321 119.600 0.116 0.000 2.349 113 M HA 0.002 4.482 4.480 0.002 0.000 0.266 113 M C 1.115 177.444 176.300 0.049 0.000 1.076 113 M CA 0.856 56.226 55.300 0.117 0.000 1.126 113 M CB -0.511 32.154 32.600 0.108 0.000 1.392 113 M HN 0.612 nan 8.290 nan 0.000 0.440 114 R N 2.470 122.998 120.500 0.047 0.000 2.267 114 R HA 0.435 4.776 4.340 0.002 0.000 0.319 114 R C -2.795 173.463 176.300 -0.071 0.000 1.067 114 R CA -1.445 54.677 56.100 0.037 0.000 0.936 114 R CB -1.576 28.798 30.300 0.124 0.000 1.006 114 R HN 0.120 nan 8.270 nan 0.000 0.452 115 P HA 0.099 nan 4.420 nan 0.000 0.272 115 P C -0.895 176.238 177.300 -0.278 0.000 1.230 115 P CA -0.537 62.257 63.100 -0.511 0.000 0.788 115 P CB 0.688 31.792 31.700 -0.994 0.000 0.949 116 D N 1.158 121.445 120.400 -0.189 0.000 2.339 116 D HA 0.014 4.655 4.640 0.002 0.000 0.256 116 D C 0.617 176.847 176.300 -0.118 0.000 1.214 116 D CA -0.009 53.963 54.000 -0.047 0.000 0.877 116 D CB 0.370 41.209 40.800 0.064 0.000 1.111 116 D HN 0.086 nan 8.370 nan 0.000 0.478 117 L N 4.607 125.713 121.223 -0.196 0.000 2.446 117 L HA 0.070 4.411 4.340 0.002 0.000 0.219 117 L C 2.362 178.975 176.870 -0.428 0.000 1.116 117 L CA 1.523 56.128 54.840 -0.391 0.000 0.844 117 L CB -0.724 41.088 42.059 -0.412 0.000 0.970 117 L HN 0.474 nan 8.230 nan 0.000 0.457 118 K N 0.067 120.326 120.400 -0.234 0.000 2.107 118 K HA -0.169 4.152 4.320 0.002 0.000 0.211 118 K C 2.038 178.495 176.600 -0.238 0.000 1.049 118 K CA 1.833 58.019 56.287 -0.168 0.000 0.927 118 K CB -2.143 30.322 32.500 -0.058 0.000 0.714 118 K HN 0.605 nan 8.250 nan 0.000 0.452 119 G N 0.070 108.672 108.800 -0.330 0.000 2.404 119 G HA2 0.078 4.039 3.960 0.002 0.000 0.215 119 G HA3 0.078 4.039 3.960 0.002 0.000 0.215 119 G C 2.055 176.429 174.900 -0.875 0.000 1.174 119 G CA 1.592 46.454 45.100 -0.397 0.000 0.780 119 G HN 0.890 nan 8.290 nan 0.000 0.537 120 A N 0.262 122.166 122.820 -1.525 0.000 1.972 120 A HA 0.105 4.426 4.320 0.002 0.000 0.219 120 A C 2.354 179.601 177.584 -0.563 0.000 1.169 120 A CA 1.341 52.496 52.037 -1.470 0.000 0.635 120 A CB -0.364 17.962 19.000 -1.124 0.000 0.810 120 A HN 0.386 nan 8.150 nan 0.000 0.446 121 L N -0.502 120.413 121.223 -0.514 0.000 2.005 121 L HA -0.126 4.215 4.340 0.002 0.000 0.207 121 L C 2.473 179.311 176.870 -0.053 0.000 1.072 121 L CA 1.367 56.119 54.840 -0.147 0.000 0.744 121 L CB -0.300 41.660 42.059 -0.166 0.000 0.895 121 L HN 0.413 nan 8.230 nan 0.000 0.433 122 L N -0.872 120.319 121.223 -0.052 0.000 2.079 122 L HA -0.243 4.098 4.340 0.002 0.000 0.210 122 L C 2.593 179.530 176.870 0.111 0.000 1.081 122 L CA 1.329 56.223 54.840 0.090 0.000 0.752 122 L CB -0.602 41.539 42.059 0.137 0.000 0.896 122 L HN 0.262 nan 8.230 nan 0.000 0.433 123 S N -0.030 115.712 115.700 0.070 0.000 2.383 123 S HA -0.145 4.326 4.470 0.002 0.000 0.227 123 S C 1.845 176.483 174.600 0.065 0.000 1.026 123 S CA 1.004 59.287 58.200 0.138 0.000 0.981 123 S CB -0.253 63.125 63.200 0.297 0.000 0.818 123 S HN 0.234 nan 8.310 nan 0.000 0.472 124 L N 1.957 123.187 121.223 0.012 0.000 2.093 124 L HA 0.061 4.402 4.340 0.002 0.000 0.208 124 L C 1.865 178.644 176.870 -0.152 0.000 1.085 124 L CA 1.421 56.223 54.840 -0.063 0.000 0.755 124 L CB -0.511 41.544 42.059 -0.006 0.000 0.904 124 L HN 0.284 nan 8.230 nan 0.000 0.435 125 I N -0.673 119.761 120.570 -0.228 0.000 2.163 125 I HA -0.305 3.866 4.170 0.002 0.000 0.243 125 I C 2.320 178.295 176.117 -0.235 0.000 1.085 125 I CA 1.520 62.538 61.300 -0.470 0.000 1.347 125 I CB -0.403 37.231 38.000 -0.611 0.000 1.044 125 I HN 0.357 nan 8.210 nan 0.000 0.408 126 E N -0.067 120.139 120.200 0.010 0.000 2.150 126 E HA -0.258 4.093 4.350 0.002 0.000 0.193 126 E C 2.048 178.673 176.600 0.040 0.000 0.985 126 E CA 1.197 57.673 56.400 0.127 0.000 0.814 126 E CB -0.195 29.628 29.700 0.205 0.000 0.752 126 E HN 0.554 nan 8.360 nan 0.000 0.466 127 Y N 0.255 120.454 120.300 -0.168 0.000 2.128 127 Y HA -0.295 4.256 4.550 0.002 0.000 0.284 127 Y C 1.579 177.297 175.900 -0.304 0.000 1.154 127 Y CA 1.674 59.605 58.100 -0.280 0.000 1.149 127 Y CB -0.230 37.956 38.460 -0.458 0.000 0.976 127 Y HN 0.027 nan 8.280 nan 0.000 0.505 128 Y N 0.961 121.053 120.300 -0.346 0.000 2.578 128 Y HA -0.014 4.537 4.550 0.002 0.000 0.297 128 Y C 0.464 176.314 175.900 -0.083 0.000 1.176 128 Y CA 0.551 58.424 58.100 -0.378 0.000 1.315 128 Y CB -0.276 37.839 38.460 -0.575 0.000 1.031 128 Y HN 0.209 nan 8.280 nan 0.000 0.524 129 Q N -1.108 118.723 119.800 0.052 0.000 2.459 129 Q HA -0.236 4.105 4.340 0.002 0.000 0.322 129 Q C -1.513 174.678 176.000 0.319 0.000 1.427 129 Q CA 0.038 55.934 55.803 0.155 0.000 0.861 129 Q CB -1.604 27.187 28.738 0.089 0.000 1.137 129 Q HN 0.415 nan 8.270 nan 0.000 0.394 130 W N 1.213 122.464 121.300 -0.081 0.000 2.365 130 W HA 0.238 4.899 4.660 0.002 0.000 0.316 130 W C 0.962 177.417 176.519 -0.107 0.000 1.164 130 W CA -0.314 56.955 57.345 -0.127 0.000 1.204 130 W CB 0.577 29.867 29.460 -0.283 0.000 1.213 130 W HN 0.364 nan 8.180 nan 0.000 0.539 131 D N 0.323 120.830 120.400 0.178 0.000 2.473 131 D HA 0.155 4.796 4.640 0.002 0.000 0.242 131 D C 0.192 176.563 176.300 0.119 0.000 1.106 131 D CA 0.180 54.316 54.000 0.227 0.000 0.854 131 D CB 0.030 40.962 40.800 0.219 0.000 1.192 131 D HN 0.156 nan 8.370 nan 0.000 0.503 132 K N 0.548 120.962 120.400 0.023 0.000 2.637 132 K HA 0.632 4.952 4.320 0.002 0.000 0.248 132 K C -1.266 175.274 176.600 -0.099 0.000 0.971 132 K CA -0.913 55.312 56.287 -0.104 0.000 0.858 132 K CB 0.693 33.141 32.500 -0.087 0.000 1.170 132 K HN 0.291 nan 8.250 nan 0.000 0.443 133 F N -0.329 119.565 119.950 -0.093 0.000 2.645 133 F HA 0.844 5.372 4.527 0.001 0.000 0.310 133 F C -0.013 175.815 175.800 0.047 0.000 1.102 133 F CA -1.783 56.160 58.000 -0.097 0.000 0.952 133 F CB 1.274 40.286 39.000 0.021 0.000 1.326 133 F HN 0.538 nan 8.300 nan 0.000 0.456 134 A N 1.451 124.444 122.820 0.288 0.000 2.309 134 A HA 0.583 4.904 4.320 0.002 0.000 0.298 134 A C -1.977 175.890 177.584 0.473 0.000 1.165 134 A CA -0.533 51.660 52.037 0.261 0.000 0.821 134 A CB 0.325 19.416 19.000 0.151 0.000 1.102 134 A HN 0.956 nan 8.150 nan 0.000 0.500 135 Y N 3.723 124.197 120.300 0.290 0.000 2.686 135 Y HA 0.483 5.034 4.550 0.002 0.000 0.331 135 Y C -0.848 175.232 175.900 0.300 0.000 0.996 135 Y CA -0.601 57.707 58.100 0.347 0.000 1.293 135 Y CB 0.655 39.346 38.460 0.384 0.000 1.092 135 Y HN 0.545 nan 8.280 nan 0.000 0.524 136 L N 7.544 128.736 121.223 -0.051 0.000 2.325 136 L HA 0.224 4.565 4.340 0.002 0.000 0.284 136 L C -0.638 176.074 176.870 -0.262 0.000 1.089 136 L CA -0.564 54.197 54.840 -0.132 0.000 0.836 136 L CB -0.357 41.657 42.059 -0.075 0.000 1.184 136 L HN 0.587 nan 8.230 nan 0.000 0.444 137 Y N 0.425 120.579 120.300 -0.243 0.000 2.587 137 Y HA 0.750 5.301 4.550 0.002 0.000 0.337 137 Y C -0.818 175.040 175.900 -0.069 0.000 1.065 137 Y CA -1.538 56.437 58.100 -0.207 0.000 1.126 137 Y CB 1.324 39.751 38.460 -0.055 0.000 1.279 137 Y HN 0.321 nan 8.280 nan 0.000 0.489 138 D N 0.342 120.811 120.400 0.115 0.000 2.629 138 D HA 0.216 4.857 4.640 0.002 0.000 0.250 138 D C 0.021 176.406 176.300 0.141 0.000 1.126 138 D CA -0.481 53.552 54.000 0.056 0.000 0.852 138 D CB 1.900 42.716 40.800 0.026 0.000 1.335 138 D HN 0.683 nan 8.370 nan 0.000 0.518 139 S N 1.953 117.731 115.700 0.130 0.000 2.727 139 S HA -0.050 4.421 4.470 0.002 0.000 0.226 139 S C 0.832 175.445 174.600 0.021 0.000 0.963 139 S CA 0.051 58.319 58.200 0.114 0.000 0.950 139 S CB 0.096 63.368 63.200 0.120 0.000 0.779 139 S HN 0.336 nan 8.310 nan 0.000 0.532 140 D N 2.593 122.998 120.400 0.009 0.000 2.123 140 D HA 0.004 4.645 4.640 0.002 0.000 0.200 140 D C 1.595 177.813 176.300 -0.136 0.000 0.976 140 D CA 1.010 55.003 54.000 -0.011 0.000 0.831 140 D CB -0.093 40.726 40.800 0.031 0.000 0.974 140 D HN 0.478 nan 8.370 nan 0.000 0.469 141 R N 0.135 120.503 120.500 -0.221 0.000 2.515 141 R HA 0.430 4.771 4.340 0.002 0.000 0.294 141 R C 0.444 176.314 176.300 -0.716 0.000 1.021 141 R CA 0.071 55.809 56.100 -0.605 0.000 1.081 141 R CB 0.680 30.845 30.300 -0.225 0.000 1.263 141 R HN 0.067 nan 8.270 nan 0.000 0.557 142 G N 0.778 109.321 108.800 -0.427 0.000 2.728 142 G HA2 -0.210 3.751 3.960 0.002 0.000 0.686 142 G HA3 -0.210 3.751 3.960 0.002 0.000 0.686 142 G C -0.125 174.715 174.900 -0.102 0.000 1.337 142 G CA -1.025 43.931 45.100 -0.240 0.000 0.861 142 G HN 0.118 nan 8.290 nan 0.000 0.597 143 L N 2.362 123.555 121.223 -0.050 0.000 2.718 143 L HA 0.175 4.516 4.340 0.002 0.000 0.242 143 L C 2.412 179.258 176.870 -0.039 0.000 1.203 143 L CA 1.512 56.321 54.840 -0.052 0.000 1.011 143 L CB -0.803 41.206 42.059 -0.082 0.000 1.250 143 L HN 0.780 nan 8.230 nan 0.000 0.437 144 S N 0.713 116.402 115.700 -0.018 0.000 2.368 144 S HA -0.165 4.306 4.470 0.002 0.000 0.225 144 S C 2.070 176.673 174.600 0.005 0.000 1.030 144 S CA 2.152 60.357 58.200 0.008 0.000 0.999 144 S CB 0.152 63.377 63.200 0.042 0.000 0.844 144 S HN 0.672 nan 8.310 nan 0.000 0.459 145 T N -0.039 114.528 114.554 0.022 0.000 2.985 145 T HA 0.060 4.411 4.350 0.002 0.000 0.266 145 T C 1.750 176.441 174.700 -0.016 0.000 1.076 145 T CA 0.957 63.078 62.100 0.035 0.000 1.135 145 T CB -0.486 68.445 68.868 0.105 0.000 0.890 145 T HN 0.285 nan 8.240 nan 0.000 0.480 146 L N 1.433 122.643 121.223 -0.022 0.000 2.017 146 L HA 0.009 4.350 4.340 0.002 0.000 0.208 146 L C 2.644 179.404 176.870 -0.184 0.000 1.073 146 L CA 1.749 56.485 54.840 -0.173 0.000 0.745 146 L CB -0.948 40.961 42.059 -0.250 0.000 0.894 146 L HN 0.252 nan 8.230 nan 0.000 0.432 147 Q N -0.571 119.164 119.800 -0.109 0.000 2.170 147 Q HA -0.181 4.160 4.340 0.002 0.000 0.203 147 Q C 2.232 178.199 176.000 -0.056 0.000 0.976 147 Q CA 1.499 57.258 55.803 -0.074 0.000 0.858 147 Q CB -0.383 28.329 28.738 -0.044 0.000 0.907 147 Q HN 0.712 nan 8.270 nan 0.000 0.433 148 A N 0.894 123.686 122.820 -0.047 0.000 1.858 148 A HA -0.174 4.147 4.320 0.002 0.000 0.216 148 A C 2.363 179.950 177.584 0.005 0.000 1.190 148 A CA 1.908 53.934 52.037 -0.018 0.000 0.617 148 A CB -0.988 18.007 19.000 -0.009 0.000 0.827 148 A HN 0.340 nan 8.150 nan 0.000 0.443 149 V N -2.120 117.775 119.914 -0.032 0.000 2.548 149 V HA -0.104 4.017 4.120 0.002 0.000 0.249 149 V C 2.233 178.390 176.094 0.106 0.000 1.055 149 V CA 1.708 64.060 62.300 0.086 0.000 1.065 149 V CB -0.877 30.893 31.823 -0.089 0.000 0.681 149 V HN 0.442 nan 8.190 nan 0.000 0.462 150 L N 0.193 121.402 121.223 -0.024 0.000 2.072 150 L HA -0.065 4.276 4.340 0.002 0.000 0.205 150 L C 2.600 179.459 176.870 -0.017 0.000 1.079 150 L CA 1.911 56.740 54.840 -0.018 0.000 0.752 150 L CB -0.757 41.268 42.059 -0.057 0.000 0.906 150 L HN 0.298 nan 8.230 nan 0.000 0.436 151 D N -0.409 119.973 120.400 -0.029 0.000 2.144 151 D HA -0.129 4.512 4.640 0.002 0.000 0.200 151 D C 2.348 178.601 176.300 -0.079 0.000 0.978 151 D CA 1.192 55.165 54.000 -0.045 0.000 0.833 151 D CB -0.052 40.727 40.800 -0.035 0.000 0.961 151 D HN 0.103 nan 8.370 nan 0.000 0.470 152 S N 0.230 115.885 115.700 -0.076 0.000 2.453 152 S HA -0.006 4.465 4.470 0.002 0.000 0.231 152 S C 2.001 176.341 174.600 -0.433 0.000 1.005 152 S CA 0.679 58.749 58.200 -0.216 0.000 0.949 152 S CB 0.002 63.124 63.200 -0.130 0.000 0.774 152 S HN 0.342 nan 8.310 nan 0.000 0.510 153 A N 1.305 124.025 122.820 -0.166 0.000 2.067 153 A HA 0.222 4.543 4.320 0.002 0.000 0.219 153 A C 2.223 179.700 177.584 -0.179 0.000 1.158 153 A CA 1.384 53.358 52.037 -0.105 0.000 0.661 153 A CB -0.662 18.416 19.000 0.130 0.000 0.801 153 A HN 0.495 nan 8.150 nan 0.000 0.452 154 A N -0.700 122.028 122.820 -0.154 0.000 1.898 154 A HA 0.209 4.530 4.320 0.002 0.000 0.214 154 A C 2.135 179.621 177.584 -0.164 0.000 1.183 154 A CA 1.928 53.891 52.037 -0.124 0.000 0.622 154 A CB -0.829 18.120 19.000 -0.085 0.000 0.824 154 A HN 0.633 nan 8.150 nan 0.000 0.444 155 E N -0.480 119.593 120.200 -0.213 0.000 2.016 155 E HA -0.062 4.289 4.350 0.002 0.000 0.190 155 E C 2.189 178.620 176.600 -0.281 0.000 0.985 155 E CA 2.091 58.367 56.400 -0.207 0.000 0.802 155 E CB -1.144 28.444 29.700 -0.186 0.000 0.762 155 E HN 0.771 nan 8.360 nan 0.000 0.448 156 K N -0.576 119.521 120.400 -0.505 0.000 2.555 156 K HA 0.426 4.747 4.320 0.002 0.000 0.193 156 K C 1.492 177.765 176.600 -0.544 0.000 1.032 156 K CA 1.818 57.729 56.287 -0.627 0.000 1.004 156 K CB -1.430 30.355 32.500 -1.191 0.000 0.804 156 K HN 1.550 nan 8.250 nan 0.000 0.496 157 K N -0.064 120.096 120.400 -0.399 0.000 4.361 157 K HA -0.091 4.230 4.320 0.002 0.000 0.294 157 K C -0.529 176.080 176.600 0.015 0.000 0.970 157 K CA 1.208 57.403 56.287 -0.153 0.000 0.913 157 K CB -2.800 29.666 32.500 -0.057 0.000 1.583 157 K HN 0.633 nan 8.250 nan 0.000 0.438 158 W N 0.311 121.617 121.300 0.010 0.000 2.639 158 W HA 0.533 5.194 4.660 0.002 0.000 0.347 158 W C 0.843 177.294 176.519 -0.114 0.000 1.067 158 W CA -1.121 56.211 57.345 -0.022 0.000 1.218 158 W CB 1.609 31.081 29.460 0.021 0.000 1.393 158 W HN 0.560 nan 8.180 nan 0.000 0.557 159 Q N 1.727 121.564 119.800 0.062 0.000 2.636 159 Q HA 0.300 4.641 4.340 0.002 0.000 0.233 159 Q C -0.335 175.527 176.000 -0.230 0.000 1.143 159 Q CA -0.366 55.400 55.803 -0.061 0.000 0.969 159 Q CB 0.984 29.696 28.738 -0.043 0.000 1.185 159 Q HN 0.062 nan 8.270 nan 0.000 0.546 160 V N 1.620 121.382 119.914 -0.254 0.000 2.530 160 V HA 0.153 4.274 4.120 0.002 0.000 0.282 160 V C 0.558 176.575 176.094 -0.127 0.000 1.048 160 V CA -0.082 61.994 62.300 -0.374 0.000 0.997 160 V CB 1.504 33.166 31.823 -0.269 0.000 0.987 160 V HN 0.524 nan 8.190 nan 0.000 0.477 161 T N 4.793 119.309 114.554 -0.063 0.000 3.262 161 T HA 0.494 4.845 4.350 0.002 0.000 0.374 161 T C 0.293 175.081 174.700 0.146 0.000 1.504 161 T CA -0.151 61.969 62.100 0.033 0.000 1.158 161 T CB 0.526 69.404 68.868 0.016 0.000 1.157 161 T HN 0.873 nan 8.240 nan 0.000 0.644 162 A N 3.784 126.723 122.820 0.198 0.000 2.409 162 A HA 0.679 5.000 4.320 0.002 0.000 0.262 162 A C 0.005 177.794 177.584 0.341 0.000 1.113 162 A CA -0.281 51.989 52.037 0.388 0.000 0.790 162 A CB -0.104 19.111 19.000 0.359 0.000 1.046 162 A HN 0.837 nan 8.150 nan 0.000 0.496 163 I N 2.588 123.328 120.570 0.284 0.000 2.500 163 I HA 0.140 4.311 4.170 0.002 0.000 0.286 163 I C -0.366 175.444 176.117 -0.512 0.000 1.063 163 I CA -0.794 60.488 61.300 -0.030 0.000 1.062 163 I CB 1.977 39.923 38.000 -0.091 0.000 1.223 163 I HN 0.648 nan 8.210 nan 0.000 0.435 164 N N 5.550 123.853 118.700 -0.662 0.000 2.406 164 N HA 0.011 4.752 4.740 0.002 0.000 0.269 164 N C 0.287 175.489 175.510 -0.512 0.000 1.210 164 N CA 0.338 52.801 53.050 -0.977 0.000 0.966 164 N CB 1.138 39.364 38.487 -0.434 0.000 1.293 164 N HN 0.481 nan 8.380 nan 0.000 0.491 165 V N 3.503 123.124 119.914 -0.489 0.000 3.563 165 V HA 0.243 4.364 4.120 0.002 0.000 0.299 165 V C 1.440 177.410 176.094 -0.207 0.000 1.290 165 V CA 0.863 62.979 62.300 -0.306 0.000 1.201 165 V CB -0.546 31.138 31.823 -0.231 0.000 1.045 165 V HN 0.721 nan 8.190 nan 0.000 0.425 166 G N 0.468 109.148 108.800 -0.200 0.000 2.497 166 G HA2 -0.102 3.859 3.960 0.002 0.000 0.210 166 G HA3 -0.102 3.859 3.960 0.002 0.000 0.210 166 G C 0.991 175.848 174.900 -0.071 0.000 1.177 166 G CA 0.181 45.221 45.100 -0.100 0.000 0.822 166 G HN 0.540 nan 8.290 nan 0.000 0.550 167 N N 1.011 119.662 118.700 -0.081 0.000 2.551 167 N HA 0.085 4.826 4.740 0.002 0.000 0.199 167 N C 0.255 175.729 175.510 -0.060 0.000 1.277 167 N CA 0.038 53.056 53.050 -0.053 0.000 0.870 167 N CB -0.173 38.288 38.487 -0.043 0.000 1.028 167 N HN 0.325 nan 8.380 nan 0.000 0.452 168 I N 2.139 122.660 120.570 -0.081 0.000 2.421 168 I HA -0.037 4.134 4.170 0.002 0.000 0.291 168 I C 0.078 176.179 176.117 -0.027 0.000 1.089 168 I CA -0.690 60.560 61.300 -0.083 0.000 1.354 168 I CB -0.066 37.845 38.000 -0.149 0.000 1.413 168 I HN 0.128 nan 8.210 nan 0.000 0.513 169 N N 6.321 125.011 118.700 -0.016 0.000 2.440 169 N HA -0.067 4.674 4.740 0.002 0.000 0.265 169 N C 0.201 175.726 175.510 0.025 0.000 1.239 169 N CA 0.001 53.053 53.050 0.005 0.000 0.909 169 N CB 0.329 38.817 38.487 0.003 0.000 1.066 169 N HN 0.401 nan 8.380 nan 0.000 0.474 170 N N 1.490 120.209 118.700 0.032 0.000 2.494 170 N HA -0.068 4.673 4.740 0.002 0.000 0.182 170 N C -0.547 174.988 175.510 0.041 0.000 1.076 170 N CA 0.580 53.659 53.050 0.048 0.000 0.908 170 N CB 0.040 38.553 38.487 0.043 0.000 0.967 170 N HN 0.660 nan 8.380 nan 0.000 0.449 171 D N -0.126 120.292 120.400 0.030 0.000 2.538 171 D HA 0.272 4.913 4.640 0.002 0.000 0.234 171 D C 0.764 177.079 176.300 0.026 0.000 1.191 171 D CA 0.207 54.222 54.000 0.024 0.000 0.828 171 D CB -0.015 40.795 40.800 0.017 0.000 0.981 171 D HN 0.227 nan 8.370 nan 0.000 0.490 172 K N -1.422 119.000 120.400 0.036 0.000 2.902 172 K HA 0.172 4.493 4.320 0.002 0.000 0.098 172 K C 0.370 177.006 176.600 0.059 0.000 1.214 172 K CA 0.118 56.428 56.287 0.039 0.000 0.980 172 K CB -1.726 30.789 32.500 0.026 0.000 1.265 172 K HN 0.186 nan 8.250 nan 0.000 0.336 173 K N 1.359 121.812 120.400 0.087 0.000 2.155 173 K HA 0.535 4.856 4.320 0.002 0.000 0.240 173 K C 0.310 177.059 176.600 0.249 0.000 1.193 173 K CA 0.565 56.944 56.287 0.153 0.000 1.104 173 K CB -0.303 32.319 32.500 0.203 0.000 1.558 173 K HN 0.442 nan 8.250 nan 0.000 0.313 174 D N 0.080 120.592 120.400 0.187 0.000 2.119 174 D HA 0.067 4.708 4.640 0.002 0.000 0.311 174 D C 1.967 178.363 176.300 0.161 0.000 1.155 174 D CA 1.009 55.121 54.000 0.187 0.000 1.036 174 D CB 0.435 41.291 40.800 0.092 0.000 1.855 174 D HN 0.450 nan 8.370 nan 0.000 0.523 175 E N 0.276 120.536 120.200 0.100 0.000 2.472 175 E HA -0.049 4.302 4.350 0.002 0.000 0.200 175 E C 1.707 178.345 176.600 0.064 0.000 1.046 175 E CA 1.728 58.173 56.400 0.074 0.000 0.871 175 E CB -1.151 28.577 29.700 0.046 0.000 0.806 175 E HN 0.502 nan 8.360 nan 0.000 0.533 176 T N -3.180 111.411 114.554 0.060 0.000 2.939 176 T HA -0.000 4.351 4.350 0.002 0.000 0.254 176 T C 1.911 176.584 174.700 -0.045 0.000 1.041 176 T CA 1.011 63.093 62.100 -0.030 0.000 1.142 176 T CB -0.479 68.319 68.868 -0.116 0.000 0.874 176 T HN 0.456 nan 8.240 nan 0.000 0.452 177 Y N 2.139 122.485 120.300 0.076 0.000 2.242 177 Y HA 0.094 4.645 4.550 0.001 0.000 0.291 177 Y C 3.460 179.511 175.900 0.252 0.000 1.137 177 Y CA 1.336 59.536 58.100 0.167 0.000 1.181 177 Y CB -0.528 38.048 38.460 0.193 0.000 0.989 177 Y HN 0.279 nan 8.280 nan 0.000 0.527 178 R N -0.418 120.263 120.500 0.301 0.000 2.096 178 R HA -0.099 4.241 4.340 0.002 0.000 0.235 178 R C 2.281 178.686 176.300 0.175 0.000 1.127 178 R CA 1.677 57.909 56.100 0.220 0.000 0.968 178 R CB -1.551 28.829 30.300 0.134 0.000 0.861 178 R HN 0.296 nan 8.270 nan 0.000 0.440 179 S N -0.539 115.229 115.700 0.113 0.000 2.527 179 S HA 0.055 4.526 4.470 0.002 0.000 0.222 179 S C 1.774 176.391 174.600 0.028 0.000 0.985 179 S CA 0.747 58.983 58.200 0.059 0.000 0.921 179 S CB -0.170 63.044 63.200 0.023 0.000 0.772 179 S HN 0.482 nan 8.310 nan 0.000 0.529 180 L N 0.420 121.657 121.223 0.023 0.000 2.102 180 L HA 0.398 4.739 4.340 0.002 0.000 0.202 180 L C 1.291 178.075 176.870 -0.144 0.000 1.076 180 L CA 1.858 56.625 54.840 -0.122 0.000 0.761 180 L CB -0.794 41.106 42.059 -0.264 0.000 0.921 180 L HN 0.333 nan 8.230 nan 0.000 0.444 181 F N -0.146 119.851 119.950 0.077 0.000 2.811 181 F HA 0.091 4.619 4.527 0.001 0.000 0.301 181 F C 2.601 178.444 175.800 0.073 0.000 1.151 181 F CA 0.877 58.932 58.000 0.091 0.000 1.412 181 F CB -0.960 38.104 39.000 0.106 0.000 1.113 181 F HN 0.311 nan 8.300 nan 0.000 0.579 182 Q N 0.022 119.931 119.800 0.181 0.000 2.187 182 Q HA -0.107 4.234 4.340 0.002 0.000 0.199 182 Q C 1.546 177.591 176.000 0.075 0.000 0.957 182 Q CA 1.754 57.628 55.803 0.118 0.000 0.857 182 Q CB -0.605 28.185 28.738 0.087 0.000 0.929 182 Q HN 0.287 nan 8.270 nan 0.000 0.453 183 D N 0.141 120.566 120.400 0.043 0.000 2.249 183 D HA 0.041 4.682 4.640 0.002 0.000 0.205 183 D C 1.432 177.746 176.300 0.024 0.000 0.962 183 D CA 0.415 54.426 54.000 0.019 0.000 0.860 183 D CB 0.217 41.011 40.800 -0.010 0.000 0.955 183 D HN 0.483 nan 8.370 nan 0.000 0.505 184 L N 0.372 121.616 121.223 0.036 0.000 2.645 184 L HA 0.079 4.420 4.340 0.002 0.000 0.235 184 L C 1.544 178.482 176.870 0.113 0.000 1.150 184 L CA 0.359 55.236 54.840 0.062 0.000 0.911 184 L CB 0.159 42.250 42.059 0.053 0.000 1.077 184 L HN -0.144 nan 8.230 nan 0.000 0.438 185 E N -0.252 120.008 120.200 0.100 0.000 2.485 185 E HA 0.072 4.423 4.350 0.002 0.000 0.213 185 E C 1.938 178.569 176.600 0.052 0.000 0.923 185 E CA 0.125 56.581 56.400 0.095 0.000 1.054 185 E CB 0.233 30.003 29.700 0.116 0.000 1.077 185 E HN 0.291 nan 8.360 nan 0.000 0.509 186 L N 0.231 121.478 121.223 0.040 0.000 2.083 186 L HA -0.094 4.247 4.340 0.002 0.000 0.209 186 L C 2.283 179.160 176.870 0.010 0.000 1.083 186 L CA 1.936 56.789 54.840 0.022 0.000 0.752 186 L CB -0.378 41.692 42.059 0.017 0.000 0.899 186 L HN 0.142 nan 8.230 nan 0.000 0.433 187 K N -0.395 120.009 120.400 0.007 0.000 2.399 187 K HA 0.377 4.698 4.320 0.002 0.000 0.204 187 K C 1.019 177.608 176.600 -0.019 0.000 1.023 187 K CA 0.609 56.890 56.287 -0.010 0.000 1.127 187 K CB -0.265 32.224 32.500 -0.018 0.000 0.856 187 K HN 0.232 nan 8.250 nan 0.000 0.514 188 K N 2.151 122.551 120.400 -0.001 0.000 3.148 188 K HA -0.154 4.167 4.320 0.002 0.000 0.267 188 K C -0.175 176.400 176.600 -0.042 0.000 0.996 188 K CA 1.256 57.535 56.287 -0.012 0.000 0.737 188 K CB -2.742 29.735 32.500 -0.039 0.000 1.308 188 K HN 0.699 nan 8.250 nan 0.000 0.470 189 E N 0.535 120.733 120.200 -0.003 0.000 2.415 189 E HA 0.125 4.476 4.350 0.002 0.000 0.260 189 E C 0.963 177.544 176.600 -0.032 0.000 1.016 189 E CA -0.346 56.040 56.400 -0.024 0.000 0.924 189 E CB 0.770 30.487 29.700 0.028 0.000 0.961 189 E HN 0.450 nan 8.360 nan 0.000 0.459 190 R N 2.227 122.618 120.500 -0.183 0.000 2.446 190 R HA 0.152 4.493 4.340 0.002 0.000 0.254 190 R C 0.142 176.267 176.300 -0.291 0.000 0.918 190 R CA 0.032 55.941 56.100 -0.319 0.000 1.069 190 R CB 0.746 30.751 30.300 -0.491 0.000 1.194 190 R HN 0.278 nan 8.270 nan 0.000 0.534 191 R N 0.847 121.140 120.500 -0.345 0.000 2.371 191 R HA 0.450 4.791 4.340 0.002 0.000 0.312 191 R C -0.937 175.268 176.300 -0.158 0.000 0.980 191 R CA -0.373 55.399 56.100 -0.547 0.000 0.867 191 R CB 2.373 31.775 30.300 -1.497 0.000 1.163 191 R HN -0.231 nan 8.270 nan 0.000 0.492 192 V N 4.901 124.841 119.914 0.043 0.000 2.628 192 V HA 0.507 4.627 4.120 0.002 0.000 0.306 192 V C 0.054 176.414 176.094 0.444 0.000 1.045 192 V CA -0.793 61.676 62.300 0.281 0.000 0.905 192 V CB 2.331 34.364 31.823 0.350 0.000 0.997 192 V HN 0.633 nan 8.190 nan 0.000 0.436 193 I N 5.007 125.828 120.570 0.419 0.000 2.355 193 I HA 0.380 4.551 4.170 0.002 0.000 0.288 193 I C -0.598 175.620 176.117 0.167 0.000 0.999 193 I CA -0.368 61.132 61.300 0.332 0.000 1.163 193 I CB 1.438 39.671 38.000 0.388 0.000 1.316 193 I HN 0.342 nan 8.210 nan 0.000 0.454 194 L N 5.917 127.248 121.223 0.179 0.000 2.282 194 L HA 0.247 4.588 4.340 0.002 0.000 0.287 194 L C -0.199 176.697 176.870 0.043 0.000 1.075 194 L CA -0.198 54.696 54.840 0.090 0.000 0.839 194 L CB 0.440 42.577 42.059 0.130 0.000 1.219 194 L HN 0.543 nan 8.230 nan 0.000 0.434 195 D N 3.066 123.418 120.400 -0.081 0.000 2.557 195 D HA 0.341 4.982 4.640 0.002 0.000 0.236 195 D C -0.736 175.574 176.300 0.017 0.000 1.154 195 D CA -0.040 53.945 54.000 -0.026 0.000 0.985 195 D CB 0.229 40.969 40.800 -0.100 0.000 1.010 195 D HN 0.363 nan 8.370 nan 0.000 0.516 196 C N 0.896 120.229 119.300 0.054 0.000 3.318 196 C HA 0.917 5.378 4.460 0.002 0.000 0.329 196 C C 0.653 175.700 174.990 0.094 0.000 1.449 196 C CA -0.892 58.163 59.018 0.061 0.000 1.397 196 C CB 0.931 28.699 27.740 0.046 0.000 1.810 196 C HN 0.549 nan 8.230 nan 0.000 0.449 197 E N -0.235 120.021 120.200 0.093 0.000 2.369 197 E HA 0.504 4.855 4.350 0.002 0.000 0.255 197 E C 1.339 178.005 176.600 0.111 0.000 1.172 197 E CA 0.340 56.812 56.400 0.120 0.000 0.932 197 E CB 0.009 29.767 29.700 0.097 0.000 1.040 197 E HN 0.949 nan 8.360 nan 0.000 0.454 198 R N 0.152 120.730 120.500 0.130 0.000 2.200 198 R HA -0.127 4.214 4.340 0.002 0.000 0.234 198 R C 1.650 177.986 176.300 0.060 0.000 1.127 198 R CA 2.355 58.518 56.100 0.105 0.000 0.989 198 R CB -0.846 29.526 30.300 0.121 0.000 0.869 198 R HN 0.727 nan 8.270 nan 0.000 0.459 199 D N -0.319 120.114 120.400 0.055 0.000 2.202 199 D HA 0.065 4.706 4.640 0.002 0.000 0.214 199 D C 2.518 178.837 176.300 0.032 0.000 0.967 199 D CA 2.157 56.179 54.000 0.036 0.000 0.871 199 D CB -0.393 40.428 40.800 0.035 0.000 1.020 199 D HN 0.503 nan 8.370 nan 0.000 0.474 200 K N 1.061 121.488 120.400 0.045 0.000 2.281 200 K HA -0.048 4.273 4.320 0.002 0.000 0.203 200 K C 2.169 178.796 176.600 0.046 0.000 1.046 200 K CA 0.945 57.263 56.287 0.051 0.000 0.938 200 K CB -1.154 31.379 32.500 0.054 0.000 0.737 200 K HN 0.097 nan 8.250 nan 0.000 0.458 201 V N 1.943 121.878 119.914 0.036 0.000 2.323 201 V HA -0.227 3.894 4.120 0.002 0.000 0.244 201 V C 1.971 178.050 176.094 -0.024 0.000 1.041 201 V CA 1.734 64.045 62.300 0.017 0.000 1.025 201 V CB -0.473 31.366 31.823 0.027 0.000 0.656 201 V HN 0.614 nan 8.190 nan 0.000 0.451 202 N N 0.529 119.212 118.700 -0.028 0.000 2.166 202 N HA -0.159 4.582 4.740 0.002 0.000 0.186 202 N C 1.478 176.940 175.510 -0.080 0.000 1.019 202 N CA 1.557 54.572 53.050 -0.059 0.000 0.856 202 N CB -0.460 38.001 38.487 -0.043 0.000 0.993 202 N HN 0.474 nan 8.380 nan 0.000 0.426 203 D N 0.592 120.957 120.400 -0.057 0.000 2.097 203 D HA -0.059 4.582 4.640 0.002 0.000 0.195 203 D C 2.088 178.284 176.300 -0.173 0.000 0.989 203 D CA 0.618 54.562 54.000 -0.094 0.000 0.827 203 D CB -0.272 40.513 40.800 -0.024 0.000 0.966 203 D HN 0.291 nan 8.370 nan 0.000 0.456 204 I N 0.350 120.872 120.570 -0.080 0.000 2.202 204 I HA -0.213 3.958 4.170 0.002 0.000 0.242 204 I C 2.392 178.425 176.117 -0.140 0.000 1.091 204 I CA 0.581 61.851 61.300 -0.050 0.000 1.368 204 I CB -0.239 37.818 38.000 0.094 0.000 1.058 204 I HN -0.106 nan 8.210 nan 0.000 0.410 205 V N 0.988 120.805 119.914 -0.163 0.000 2.332 205 V HA -0.320 3.801 4.120 0.002 0.000 0.248 205 V C 2.089 178.035 176.094 -0.246 0.000 1.055 205 V CA 2.054 64.215 62.300 -0.233 0.000 1.038 205 V CB -0.694 31.010 31.823 -0.199 0.000 0.651 205 V HN 0.411 nan 8.190 nan 0.000 0.450 206 D N -0.737 119.535 120.400 -0.214 0.000 2.117 206 D HA -0.142 4.499 4.640 0.002 0.000 0.197 206 D C 2.394 178.542 176.300 -0.253 0.000 0.987 206 D CA 0.985 54.855 54.000 -0.217 0.000 0.829 206 D CB -0.259 40.435 40.800 -0.177 0.000 0.961 206 D HN 0.379 nan 8.370 nan 0.000 0.460 207 Q N 0.380 120.001 119.800 -0.298 0.000 2.084 207 Q HA -0.076 4.265 4.340 0.002 0.000 0.202 207 Q C 2.514 178.313 176.000 -0.334 0.000 0.978 207 Q CA 0.505 56.108 55.803 -0.334 0.000 0.844 207 Q CB -0.510 27.931 28.738 -0.496 0.000 0.898 207 Q HN 0.221 nan 8.270 nan 0.000 0.426 208 V N 1.423 121.136 119.914 -0.334 0.000 2.332 208 V HA -0.259 3.861 4.120 0.002 0.000 0.248 208 V C 2.309 178.233 176.094 -0.283 0.000 1.055 208 V CA 1.573 63.647 62.300 -0.376 0.000 1.038 208 V CB -0.540 31.074 31.823 -0.348 0.000 0.651 208 V HN 0.288 nan 8.190 nan 0.000 0.450 209 I N -0.382 119.992 120.570 -0.326 0.000 2.315 209 I HA -0.191 3.980 4.170 0.002 0.000 0.248 209 I C 2.489 178.484 176.117 -0.204 0.000 1.117 209 I CA 1.606 62.640 61.300 -0.444 0.000 1.404 209 I CB -0.777 36.873 38.000 -0.584 0.000 1.071 209 I HN 0.303 nan 8.210 nan 0.000 0.419 210 T N 2.264 116.700 114.554 -0.197 0.000 2.708 210 T HA -0.135 4.216 4.350 0.002 0.000 0.266 210 T C 1.847 176.483 174.700 -0.107 0.000 1.037 210 T CA 1.787 63.806 62.100 -0.135 0.000 1.146 210 T CB -0.352 68.430 68.868 -0.143 0.000 0.865 210 T HN 0.499 nan 8.240 nan 0.000 0.435 211 I N -0.764 119.709 120.570 -0.162 0.000 3.291 211 I HA 0.334 4.505 4.170 0.002 0.000 0.279 211 I C 1.618 177.668 176.117 -0.112 0.000 1.294 211 I CA 0.551 61.759 61.300 -0.155 0.000 1.428 211 I CB -0.846 36.994 38.000 -0.268 0.000 1.070 211 I HN 0.374 nan 8.210 nan 0.000 0.478 212 G N 2.196 110.968 108.800 -0.048 0.000 2.147 212 G HA2 -0.286 3.675 3.960 0.002 0.000 0.244 212 G HA3 -0.286 3.675 3.960 0.002 0.000 0.244 212 G C 0.403 175.245 174.900 -0.097 0.000 1.005 212 G CA 0.192 45.315 45.100 0.038 0.000 0.713 212 G HN 0.572 nan 8.290 nan 0.000 0.515 213 K N 0.202 120.456 120.400 -0.242 0.000 2.911 213 K HA 0.226 4.547 4.320 0.002 0.000 0.239 213 K C 1.125 177.417 176.600 -0.513 0.000 1.090 213 K CA 0.569 56.441 56.287 -0.693 0.000 1.225 213 K CB -0.167 31.863 32.500 -0.784 0.000 1.087 213 K HN 0.893 nan 8.250 nan 0.000 0.464 214 H N -2.810 116.117 119.070 -0.239 0.000 2.785 214 H HA 0.143 4.700 4.556 0.001 0.000 0.268 214 H C 0.370 175.739 175.328 0.069 0.000 1.153 214 H CA -0.769 55.264 56.048 -0.024 0.000 1.111 214 H CB -0.042 29.682 29.762 -0.064 0.000 1.633 214 H HN -0.031 nan 8.280 nan 0.000 0.576 215 V N -1.676 118.104 119.914 -0.223 0.000 3.403 215 V HA 0.236 4.357 4.120 0.002 0.000 0.305 215 V C 0.711 176.868 176.094 0.104 0.000 1.060 215 V CA -1.436 60.789 62.300 -0.125 0.000 1.053 215 V CB 1.252 33.007 31.823 -0.115 0.000 1.198 215 V HN 0.348 nan 8.190 nan 0.000 0.447 216 K N 0.383 120.816 120.400 0.056 0.000 2.511 216 K HA 0.376 4.697 4.320 0.002 0.000 0.280 216 K C 0.992 177.623 176.600 0.051 0.000 1.008 216 K CA 1.152 57.474 56.287 0.059 0.000 1.050 216 K CB -0.095 32.422 32.500 0.029 0.000 0.889 216 K HN 1.495 nan 8.250 nan 0.000 0.484 217 G N 3.014 111.821 108.800 0.011 0.000 2.428 217 G HA2 -0.208 3.753 3.960 0.002 0.000 0.199 217 G HA3 -0.208 3.753 3.960 0.002 0.000 0.199 217 G C -0.771 173.979 174.900 -0.250 0.000 1.005 217 G CA -0.391 44.628 45.100 -0.135 0.000 0.671 217 G HN 0.564 nan 8.290 nan 0.000 0.485 218 Y N 1.462 121.728 120.300 -0.058 0.000 2.352 218 Y HA 0.773 5.323 4.550 0.001 0.000 0.326 218 Y C 0.437 176.256 175.900 -0.135 0.000 1.166 218 Y CA -0.501 57.514 58.100 -0.142 0.000 1.182 218 Y CB 1.307 39.688 38.460 -0.132 0.000 1.216 218 Y HN 0.189 nan 8.280 nan 0.000 0.474 219 H N 2.960 121.907 119.070 -0.204 0.000 2.924 219 H HA 0.300 4.857 4.556 0.001 0.000 0.333 219 H C -1.884 173.385 175.328 -0.098 0.000 0.979 219 H CA -0.909 55.091 56.048 -0.079 0.000 1.326 219 H CB 0.540 30.320 29.762 0.031 0.000 1.600 219 H HN 0.675 nan 8.280 nan 0.000 0.520 220 Y N 4.272 124.703 120.300 0.218 0.000 2.420 220 Y HA 0.440 4.991 4.550 0.001 0.000 0.334 220 Y C 0.443 176.481 175.900 0.230 0.000 1.094 220 Y CA -0.773 57.487 58.100 0.267 0.000 1.126 220 Y CB 1.820 40.381 38.460 0.169 0.000 1.217 220 Y HN 0.414 nan 8.280 nan 0.000 0.462 221 I N 4.668 125.474 120.570 0.394 0.000 2.439 221 I HA 0.248 4.419 4.170 0.002 0.000 0.283 221 I C -1.053 175.212 176.117 0.246 0.000 1.023 221 I CA -0.695 60.735 61.300 0.217 0.000 1.100 221 I CB 1.169 39.211 38.000 0.069 0.000 1.238 221 I HN 0.398 nan 8.210 nan 0.000 0.445 222 I N 5.612 126.337 120.570 0.259 0.000 2.347 222 I HA 0.132 4.303 4.170 0.002 0.000 0.294 222 I C 1.149 177.463 176.117 0.328 0.000 1.090 222 I CA 0.081 61.547 61.300 0.277 0.000 1.314 222 I CB 0.653 38.848 38.000 0.325 0.000 1.423 222 I HN 0.588 nan 8.210 nan 0.000 0.503 223 A N 7.221 130.204 122.820 0.271 0.000 3.063 223 A HA 0.319 4.640 4.320 0.002 0.000 0.263 223 A C 0.353 178.024 177.584 0.145 0.000 1.736 223 A CA -0.289 51.904 52.037 0.259 0.000 1.408 223 A CB -1.025 18.089 19.000 0.191 0.000 1.108 223 A HN 0.828 nan 8.150 nan 0.000 0.621 224 N N -1.139 117.669 118.700 0.180 0.000 2.825 224 N HA 0.307 5.048 4.740 0.002 0.000 0.253 224 N C -0.388 175.079 175.510 -0.071 0.000 1.426 224 N CA -0.980 52.074 53.050 0.006 0.000 0.851 224 N CB 0.470 38.988 38.487 0.052 0.000 1.470 224 N HN -0.036 nan 8.380 nan 0.000 0.517 225 L N -0.887 120.049 121.223 -0.478 0.000 2.591 225 L HA 0.374 4.715 4.340 0.002 0.000 0.228 225 L C 0.867 177.530 176.870 -0.345 0.000 1.133 225 L CA 0.312 54.863 54.840 -0.480 0.000 0.880 225 L CB -0.158 41.477 42.059 -0.705 0.000 1.033 225 L HN 0.810 nan 8.230 nan 0.000 0.450 226 G N -1.315 107.372 108.800 -0.188 0.000 4.487 226 G HA2 0.137 4.098 3.960 0.002 0.000 0.339 226 G HA3 0.137 4.098 3.960 0.002 0.000 0.339 226 G C 0.136 175.168 174.900 0.220 0.000 1.482 226 G CA -0.378 44.826 45.100 0.174 0.000 1.069 226 G HN 0.028 nan 8.290 nan 0.000 0.515 227 F N 2.270 122.278 119.950 0.095 0.000 2.163 227 F HA -0.033 4.495 4.527 0.002 0.000 0.297 227 F C 2.529 178.375 175.800 0.076 0.000 1.094 227 F CA 2.007 60.053 58.000 0.076 0.000 1.290 227 F CB 0.309 39.337 39.000 0.048 0.000 1.017 227 F HN 0.336 nan 8.300 nan 0.000 0.483 228 T N -3.532 111.087 114.554 0.108 0.000 3.107 228 T HA 0.051 4.402 4.350 0.002 0.000 0.249 228 T C 1.152 175.862 174.700 0.017 0.000 1.096 228 T CA 0.500 62.597 62.100 -0.004 0.000 1.012 228 T CB -0.399 68.542 68.868 0.122 0.000 0.977 228 T HN 0.093 nan 8.240 nan 0.000 0.527 229 D N 1.927 122.375 120.400 0.080 0.000 2.224 229 D HA 0.160 4.801 4.640 0.002 0.000 0.205 229 D C 1.292 177.616 176.300 0.041 0.000 0.965 229 D CA 0.666 54.731 54.000 0.108 0.000 0.852 229 D CB -0.335 40.584 40.800 0.199 0.000 0.947 229 D HN 0.623 nan 8.370 nan 0.000 0.494 230 G N -0.338 108.446 108.800 -0.025 0.000 2.488 230 G HA2 0.260 4.221 3.960 0.002 0.000 0.318 230 G HA3 0.260 4.221 3.960 0.002 0.000 0.318 230 G C -0.829 174.012 174.900 -0.099 0.000 1.188 230 G CA -0.470 44.599 45.100 -0.053 0.000 0.944 230 G HN -0.149 nan 8.290 nan 0.000 0.495 231 D N -0.306 120.044 120.400 -0.083 0.000 2.339 231 D HA 0.209 4.850 4.640 0.002 0.000 0.256 231 D C 0.606 176.827 176.300 -0.131 0.000 1.214 231 D CA -0.347 53.600 54.000 -0.089 0.000 0.877 231 D CB 1.354 42.118 40.800 -0.060 0.000 1.111 231 D HN -0.011 nan 8.370 nan 0.000 0.478 232 L N 3.789 124.921 121.223 -0.151 0.000 2.701 232 L HA 0.223 4.564 4.340 0.002 0.000 0.238 232 L C 1.986 178.777 176.870 -0.132 0.000 1.106 232 L CA 0.133 54.865 54.840 -0.180 0.000 0.898 232 L CB -0.160 41.739 42.059 -0.266 0.000 1.188 232 L HN 0.534 nan 8.230 nan 0.000 0.508 233 L N 0.168 121.343 121.223 -0.080 0.000 2.261 233 L HA -0.245 4.095 4.340 0.002 0.000 0.216 233 L C 2.361 179.261 176.870 0.050 0.000 1.114 233 L CA 1.302 56.138 54.840 -0.006 0.000 0.777 233 L CB -0.425 41.670 42.059 0.059 0.000 0.910 233 L HN 0.418 nan 8.230 nan 0.000 0.440 234 K N 0.936 121.325 120.400 -0.018 0.000 2.044 234 K HA -0.067 4.254 4.320 0.002 0.000 0.204 234 K C 1.433 178.004 176.600 -0.048 0.000 1.045 234 K CA 1.097 57.367 56.287 -0.029 0.000 0.951 234 K CB -0.372 32.071 32.500 -0.095 0.000 0.738 234 K HN 0.300 nan 8.250 nan 0.000 0.443 235 I N -0.123 120.394 120.570 -0.088 0.000 3.864 235 I HA 0.172 4.343 4.170 0.002 0.000 0.326 235 I C 1.854 177.956 176.117 -0.025 0.000 1.444 235 I CA 0.101 61.376 61.300 -0.042 0.000 1.195 235 I CB 0.265 38.214 38.000 -0.085 0.000 1.124 235 I HN 0.162 nan 8.210 nan 0.000 0.407 236 Q N 0.906 120.639 119.800 -0.111 0.000 2.204 236 Q HA 0.099 4.440 4.340 0.002 0.000 0.198 236 Q C 0.984 176.739 176.000 -0.408 0.000 0.946 236 Q CA 1.196 56.798 55.803 -0.336 0.000 0.859 236 Q CB 0.090 28.465 28.738 -0.605 0.000 0.946 236 Q HN 0.584 nan 8.270 nan 0.000 0.474 237 F N -1.054 118.932 119.950 0.061 0.000 2.695 237 F HA 0.360 4.888 4.527 0.001 0.000 0.303 237 F C 1.744 177.598 175.800 0.090 0.000 1.091 237 F CA 0.211 58.248 58.000 0.063 0.000 1.300 237 F CB 0.209 39.237 39.000 0.046 0.000 1.071 237 F HN 0.119 nan 8.300 nan 0.000 0.578 238 G N 0.310 109.277 108.800 0.278 0.000 2.418 238 G HA2 0.178 4.139 3.960 0.002 0.000 0.217 238 G HA3 0.178 4.139 3.960 0.002 0.000 0.217 238 G C 1.749 176.678 174.900 0.049 0.000 1.158 238 G CA 1.159 46.413 45.100 0.257 0.000 0.771 238 G HN 0.575 nan 8.290 nan 0.000 0.545 239 G N -1.101 107.747 108.800 0.080 0.000 2.481 239 G HA2 0.208 4.169 3.960 0.002 0.000 0.200 239 G HA3 0.208 4.169 3.960 0.002 0.000 0.200 239 G C 0.604 175.543 174.900 0.065 0.000 1.012 239 G CA 0.366 45.498 45.100 0.053 0.000 0.676 239 G HN 1.371 nan 8.290 nan 0.000 0.488 240 A N 1.076 123.957 122.820 0.101 0.000 2.488 240 A HA 0.552 4.873 4.320 0.002 0.000 0.249 240 A C 0.382 178.010 177.584 0.074 0.000 1.083 240 A CA 0.348 52.470 52.037 0.142 0.000 0.768 240 A CB 0.070 19.242 19.000 0.287 0.000 1.017 240 A HN 0.469 nan 8.150 nan 0.000 0.496 241 E N 1.027 121.206 120.200 -0.034 0.000 2.344 241 E HA 0.353 4.704 4.350 0.002 0.000 0.270 241 E C -0.909 175.502 176.600 -0.314 0.000 1.021 241 E CA -0.081 56.200 56.400 -0.198 0.000 0.887 241 E CB 1.029 30.546 29.700 -0.305 0.000 0.997 241 E HN 0.362 nan 8.360 nan 0.000 0.429 242 V N 2.988 122.821 119.914 -0.134 0.000 2.487 242 V HA 0.283 4.404 4.120 0.002 0.000 0.298 242 V C -0.253 175.858 176.094 0.028 0.000 1.028 242 V CA -0.552 61.758 62.300 0.017 0.000 0.860 242 V CB 1.886 33.813 31.823 0.173 0.000 0.991 242 V HN 0.613 nan 8.190 nan 0.000 0.427 243 S N 2.116 117.803 115.700 -0.021 0.000 2.638 243 S HA 1.004 5.475 4.470 0.002 0.000 0.302 243 S C 0.227 174.624 174.600 -0.338 0.000 1.096 243 S CA -0.124 57.942 58.200 -0.224 0.000 0.953 243 S CB 2.194 65.336 63.200 -0.097 0.000 1.107 243 S HN 1.220 nan 8.310 nan 0.000 0.503 244 G N 0.026 108.289 108.800 -0.894 0.000 2.494 244 G HA2 0.623 4.584 3.960 0.002 0.000 0.308 244 G HA3 0.623 4.584 3.960 0.002 0.000 0.308 244 G C -2.304 171.986 174.900 -1.017 0.000 1.263 244 G CA -0.647 44.020 45.100 -0.722 0.000 0.840 244 G HN 0.453 nan 8.290 nan 0.000 0.479 245 F N -0.255 119.640 119.950 -0.093 0.000 2.556 245 F HA 0.736 5.264 4.527 0.001 0.000 0.314 245 F C -0.087 175.732 175.800 0.031 0.000 1.106 245 F CA -0.761 57.200 58.000 -0.065 0.000 0.911 245 F CB 2.882 41.839 39.000 -0.073 0.000 1.190 245 F HN 0.403 nan 8.300 nan 0.000 0.448 246 Q N 2.160 122.077 119.800 0.195 0.000 2.321 246 Q HA 0.492 4.833 4.340 0.002 0.000 0.270 246 Q C -0.530 175.544 176.000 0.123 0.000 1.032 246 Q CA -0.307 55.601 55.803 0.175 0.000 0.784 246 Q CB 1.889 30.745 28.738 0.196 0.000 1.264 246 Q HN 0.714 nan 8.270 nan 0.000 0.448 247 I N 3.415 124.031 120.570 0.077 0.000 3.265 247 I HA 0.219 4.390 4.170 0.002 0.000 0.282 247 I C -0.438 175.675 176.117 -0.007 0.000 1.207 247 I CA 0.498 61.826 61.300 0.046 0.000 1.449 247 I CB 1.073 39.088 38.000 0.026 0.000 1.121 247 I HN 0.475 nan 8.210 nan 0.000 0.442 248 V N 3.127 123.009 119.914 -0.054 0.000 2.284 248 V HA 0.194 4.315 4.120 0.002 0.000 0.260 248 V C -0.433 175.443 176.094 -0.363 0.000 1.084 248 V CA -0.682 61.466 62.300 -0.255 0.000 0.894 248 V CB 0.187 31.777 31.823 -0.389 0.000 1.119 248 V HN 0.138 nan 8.190 nan 0.000 0.484 249 D N 3.365 123.636 120.400 -0.216 0.000 2.344 249 D HA 0.095 4.736 4.640 0.002 0.000 0.253 249 D C 0.506 176.710 176.300 -0.160 0.000 1.255 249 D CA -0.001 53.932 54.000 -0.111 0.000 0.894 249 D CB 0.626 41.404 40.800 -0.037 0.000 1.067 249 D HN 0.528 nan 8.370 nan 0.000 0.492 250 Y N 1.524 121.843 120.300 0.032 0.000 2.553 250 Y HA 0.026 4.577 4.550 0.002 0.000 0.303 250 Y C 1.405 177.323 175.900 0.029 0.000 1.194 250 Y CA 0.024 58.142 58.100 0.031 0.000 1.305 250 Y CB 0.342 38.825 38.460 0.039 0.000 1.045 250 Y HN 0.342 nan 8.280 nan 0.000 0.514 251 D N -0.864 119.611 120.400 0.126 0.000 2.354 251 D HA -0.021 4.620 4.640 0.002 0.000 0.209 251 D C -0.166 176.162 176.300 0.047 0.000 1.015 251 D CA 0.466 54.516 54.000 0.084 0.000 0.867 251 D CB 0.003 40.844 40.800 0.069 0.000 0.933 251 D HN 0.166 nan 8.370 nan 0.000 0.520 252 D N 0.011 120.425 120.400 0.024 0.000 2.390 252 D HA -0.000 4.640 4.640 0.002 0.000 0.249 252 D C 1.466 177.780 176.300 0.024 0.000 1.144 252 D CA 0.083 54.087 54.000 0.008 0.000 0.880 252 D CB 1.413 42.202 40.800 -0.020 0.000 1.182 252 D HN -0.051 nan 8.370 nan 0.000 0.451 253 S N 2.482 118.197 115.700 0.024 0.000 2.419 253 S HA -0.195 4.276 4.470 0.002 0.000 0.235 253 S C 1.927 176.550 174.600 0.039 0.000 1.019 253 S CA 0.430 58.650 58.200 0.032 0.000 0.982 253 S CB -0.247 62.968 63.200 0.025 0.000 0.789 253 S HN 0.564 nan 8.310 nan 0.000 0.490 254 L N 1.099 122.341 121.223 0.031 0.000 2.005 254 L HA -0.038 4.303 4.340 0.002 0.000 0.207 254 L C 2.464 179.363 176.870 0.049 0.000 1.072 254 L CA 1.380 56.246 54.840 0.042 0.000 0.744 254 L CB -0.330 41.748 42.059 0.032 0.000 0.895 254 L HN 0.237 nan 8.230 nan 0.000 0.433 255 V N -1.202 118.718 119.914 0.009 0.000 2.427 255 V HA -0.243 3.878 4.120 0.002 0.000 0.248 255 V C 2.682 178.838 176.094 0.103 0.000 1.051 255 V CA 1.740 64.035 62.300 -0.009 0.000 1.048 255 V CB -0.303 31.442 31.823 -0.130 0.000 0.666 255 V HN 0.537 nan 8.190 nan 0.000 0.456 256 S N 0.270 116.027 115.700 0.094 0.000 2.383 256 S HA -0.254 4.216 4.470 0.002 0.000 0.229 256 S C 2.250 176.909 174.600 0.099 0.000 1.030 256 S CA 2.268 60.536 58.200 0.113 0.000 1.002 256 S CB -0.291 62.959 63.200 0.084 0.000 0.829 256 S HN 0.676 nan 8.310 nan 0.000 0.467 257 K N 0.405 120.857 120.400 0.087 0.000 2.103 257 K HA 0.061 4.382 4.320 0.002 0.000 0.204 257 K C 1.792 178.436 176.600 0.073 0.000 1.052 257 K CA 1.437 57.763 56.287 0.065 0.000 0.945 257 K CB -1.338 31.195 32.500 0.056 0.000 0.722 257 K HN 0.609 nan 8.250 nan 0.000 0.443 258 F N 0.860 120.784 119.950 -0.043 0.000 2.102 258 F HA -0.075 4.453 4.527 0.001 0.000 0.298 258 F C 1.888 177.681 175.800 -0.012 0.000 1.105 258 F CA 1.356 59.303 58.000 -0.088 0.000 1.239 258 F CB -0.068 38.800 39.000 -0.220 0.000 0.991 258 F HN 0.074 nan 8.300 nan 0.000 0.474 259 I N 1.662 122.313 120.570 0.135 0.000 2.286 259 I HA -0.194 3.977 4.170 0.002 0.000 0.248 259 I C 2.797 178.924 176.117 0.016 0.000 1.115 259 I CA 1.828 63.195 61.300 0.113 0.000 1.392 259 I CB -1.602 36.522 38.000 0.206 0.000 1.065 259 I HN 0.348 nan 8.210 nan 0.000 0.418 260 E N 0.755 120.952 120.200 -0.005 0.000 2.130 260 E HA -0.272 4.079 4.350 0.002 0.000 0.196 260 E C 2.533 179.077 176.600 -0.093 0.000 0.998 260 E CA 2.235 58.613 56.400 -0.036 0.000 0.806 260 E CB -1.091 28.596 29.700 -0.021 0.000 0.738 260 E HN 0.603 nan 8.360 nan 0.000 0.459 261 R N -0.712 119.699 120.500 -0.148 0.000 2.206 261 R HA 0.169 4.510 4.340 0.002 0.000 0.198 261 R C 2.112 178.252 176.300 -0.267 0.000 0.986 261 R CA 1.018 56.996 56.100 -0.203 0.000 1.029 261 R CB -1.187 28.982 30.300 -0.218 0.000 0.966 261 R HN 0.764 nan 8.270 nan 0.000 0.487 262 W N 2.057 123.038 121.300 -0.532 0.000 2.379 262 W HA -0.196 4.464 4.660 0.001 0.000 0.307 262 W C 1.762 178.083 176.519 -0.331 0.000 1.200 262 W CA 2.409 59.438 57.345 -0.528 0.000 1.297 262 W CB -0.343 28.718 29.460 -0.664 0.000 1.140 262 W HN 0.434 nan 8.180 nan 0.000 0.507 263 S N -0.010 115.627 115.700 -0.105 0.000 2.469 263 S HA -0.199 4.272 4.470 0.002 0.000 0.238 263 S C 1.597 175.865 174.600 -0.553 0.000 0.998 263 S CA 1.850 59.898 58.200 -0.254 0.000 0.957 263 S CB -1.002 62.129 63.200 -0.116 0.000 0.764 263 S HN 0.357 nan 8.310 nan 0.000 0.514 264 T N -0.474 113.850 114.554 -0.384 0.000 3.037 264 T HA 0.362 4.712 4.350 0.002 0.000 0.252 264 T C 0.712 175.295 174.700 -0.195 0.000 1.073 264 T CA -0.447 61.480 62.100 -0.290 0.000 1.091 264 T CB -0.644 68.127 68.868 -0.161 0.000 0.935 264 T HN 0.322 nan 8.240 nan 0.000 0.488 265 L N 2.255 123.295 121.223 -0.306 0.000 2.529 265 L HA 0.107 4.447 4.340 0.002 0.000 0.287 265 L C 0.825 177.677 176.870 -0.031 0.000 1.241 265 L CA 0.009 54.683 54.840 -0.277 0.000 0.857 265 L CB 0.154 41.835 42.059 -0.630 0.000 1.113 265 L HN 0.408 nan 8.230 nan 0.000 0.504 266 E N 2.380 122.609 120.200 0.048 0.000 2.351 266 E HA -0.082 4.269 4.350 0.002 0.000 0.266 266 E C 0.685 177.337 176.600 0.086 0.000 1.031 266 E CA -0.057 56.393 56.400 0.083 0.000 0.911 266 E CB 0.680 30.422 29.700 0.071 0.000 0.986 266 E HN 0.575 nan 8.360 nan 0.000 0.446 267 E N 3.350 123.561 120.200 0.018 0.000 2.347 267 E HA -0.195 4.156 4.350 0.002 0.000 0.196 267 E C 1.853 178.454 176.600 0.001 0.000 1.008 267 E CA 1.240 57.643 56.400 0.006 0.000 0.852 267 E CB 0.141 29.815 29.700 -0.043 0.000 0.783 267 E HN 0.570 nan 8.360 nan 0.000 0.505 268 K N 0.575 120.967 120.400 -0.013 0.000 2.007 268 K HA -0.093 4.228 4.320 0.002 0.000 0.206 268 K C 2.086 178.661 176.600 -0.042 0.000 1.047 268 K CA 1.679 57.950 56.287 -0.026 0.000 0.937 268 K CB -1.428 31.052 32.500 -0.032 0.000 0.718 268 K HN 0.343 nan 8.250 nan 0.000 0.438 269 E N -0.512 119.653 120.200 -0.058 0.000 2.112 269 E HA 0.090 4.441 4.350 0.002 0.000 0.190 269 E C 0.396 176.784 176.600 -0.353 0.000 0.979 269 E CA 0.775 57.050 56.400 -0.208 0.000 0.814 269 E CB -0.242 29.304 29.700 -0.258 0.000 0.762 269 E HN 0.750 nan 8.360 nan 0.000 0.460 270 Y N 1.096 121.361 120.300 -0.058 0.000 2.854 270 Y HA 0.324 4.875 4.550 0.001 0.000 0.330 270 Y C -2.322 173.537 175.900 -0.070 0.000 1.037 270 Y CA -3.340 54.711 58.100 -0.081 0.000 1.263 270 Y CB 1.399 39.732 38.460 -0.212 0.000 1.120 270 Y HN 0.056 nan 8.280 nan 0.000 0.532 271 P HA -0.026 nan 4.420 nan 0.000 0.264 271 P C 0.803 178.175 177.300 0.121 0.000 1.183 271 P CA 0.895 64.046 63.100 0.086 0.000 0.763 271 P CB 0.911 32.664 31.700 0.088 0.000 0.807 272 G N 2.807 111.669 108.800 0.104 0.000 2.366 272 G HA2 -0.101 3.860 3.960 0.002 0.000 0.299 272 G HA3 -0.101 3.860 3.960 0.002 0.000 0.299 272 G C 0.669 175.687 174.900 0.196 0.000 1.020 272 G CA 0.210 45.400 45.100 0.151 0.000 1.026 272 G HN 0.815 nan 8.290 nan 0.000 0.512 273 A N -0.914 121.906 122.820 -0.001 0.000 2.585 273 A HA 0.520 4.841 4.320 0.002 0.000 0.266 273 A C 0.601 177.850 177.584 -0.558 0.000 1.178 273 A CA 0.665 52.420 52.037 -0.470 0.000 0.966 273 A CB 0.408 18.806 19.000 -1.003 0.000 1.170 273 A HN 0.759 nan 8.150 nan 0.000 0.558 274 H N 1.797 120.737 119.070 -0.216 0.000 2.540 274 H HA 0.397 4.954 4.556 0.002 0.000 0.264 274 H C 0.265 175.586 175.328 -0.012 0.000 1.427 274 H CA 0.838 56.795 56.048 -0.152 0.000 1.103 274 H CB -0.131 29.572 29.762 -0.099 0.000 1.572 274 H HN 0.366 nan 8.280 nan 0.000 0.511 275 T N -3.619 110.983 114.554 0.079 0.000 2.887 275 T HA 0.572 4.923 4.350 0.002 0.000 0.292 275 T C 1.028 175.840 174.700 0.187 0.000 1.087 275 T CA -0.473 61.717 62.100 0.150 0.000 1.009 275 T CB 1.521 70.517 68.868 0.213 0.000 1.203 275 T HN 0.100 nan 8.240 nan 0.000 0.518 276 A N 0.561 123.443 122.820 0.102 0.000 2.218 276 A HA 0.415 4.736 4.320 0.002 0.000 0.209 276 A C 1.289 178.901 177.584 0.047 0.000 1.168 276 A CA 0.843 52.920 52.037 0.066 0.000 0.804 276 A CB -0.848 18.144 19.000 -0.012 0.000 0.834 276 A HN 1.175 nan 8.150 nan 0.000 0.482 277 T N -3.138 111.463 114.554 0.079 0.000 2.910 277 T HA 0.719 5.070 4.350 0.002 0.000 0.287 277 T C -0.578 174.240 174.700 0.197 0.000 1.050 277 T CA -0.774 61.368 62.100 0.071 0.000 1.011 277 T CB 1.644 70.482 68.868 -0.050 0.000 1.195 277 T HN 0.462 nan 8.240 nan 0.000 0.540 278 I N -0.477 120.233 120.570 0.234 0.000 2.680 278 I HA 0.625 4.796 4.170 0.002 0.000 0.291 278 I C -0.262 175.930 176.117 0.126 0.000 1.244 278 I CA -0.910 60.439 61.300 0.081 0.000 1.042 278 I CB 1.520 39.385 38.000 -0.225 0.000 1.277 278 I HN 1.126 nan 8.210 nan 0.000 0.423 279 K N 5.136 125.601 120.400 0.109 0.000 2.436 279 K HA 0.032 4.353 4.320 0.002 0.000 0.275 279 K C 0.244 176.885 176.600 0.068 0.000 0.999 279 K CA 0.863 57.214 56.287 0.108 0.000 0.980 279 K CB -0.380 32.149 32.500 0.048 0.000 0.919 279 K HN 0.777 nan 8.250 nan 0.000 0.484 280 Y N 0.638 120.985 120.300 0.079 0.000 2.333 280 Y HA -0.208 4.343 4.550 0.001 0.000 0.290 280 Y C 2.280 178.230 175.900 0.082 0.000 1.144 280 Y CA 1.803 59.937 58.100 0.056 0.000 1.228 280 Y CB -1.028 37.474 38.460 0.069 0.000 0.985 280 Y HN 0.662 nan 8.280 nan 0.000 0.542 281 T N -2.554 111.631 114.554 -0.615 0.000 2.777 281 T HA -0.161 4.190 4.350 0.002 0.000 0.266 281 T C 1.886 176.610 174.700 0.040 0.000 1.040 281 T CA 1.450 63.361 62.100 -0.316 0.000 1.141 281 T CB -0.897 67.767 68.868 -0.340 0.000 0.868 281 T HN 0.416 nan 8.240 nan 0.000 0.444 282 S N 1.855 117.580 115.700 0.042 0.000 2.371 282 S HA 0.221 4.692 4.470 0.002 0.000 0.224 282 S C 2.647 177.303 174.600 0.092 0.000 1.029 282 S CA 0.781 59.069 58.200 0.147 0.000 0.978 282 S CB -0.771 62.502 63.200 0.121 0.000 0.833 282 S HN 0.754 nan 8.310 nan 0.000 0.466 283 A N 1.485 124.294 122.820 -0.018 0.000 1.933 283 A HA 0.014 4.335 4.320 0.002 0.000 0.218 283 A C 2.063 179.666 177.584 0.031 0.000 1.175 283 A CA 1.063 53.040 52.037 -0.101 0.000 0.628 283 A CB -0.666 18.245 19.000 -0.149 0.000 0.814 283 A HN 0.453 nan 8.150 nan 0.000 0.444 284 L N -0.901 120.379 121.223 0.094 0.000 2.156 284 L HA -0.123 4.218 4.340 0.002 0.000 0.208 284 L C 2.717 179.693 176.870 0.177 0.000 1.095 284 L CA 1.547 56.463 54.840 0.126 0.000 0.770 284 L CB -0.804 41.338 42.059 0.139 0.000 0.914 284 L HN 0.337 nan 8.230 nan 0.000 0.439 285 T N -1.071 113.644 114.554 0.269 0.000 2.708 285 T HA -0.272 4.079 4.350 0.002 0.000 0.266 285 T C 1.694 176.497 174.700 0.172 0.000 1.037 285 T CA 1.586 63.896 62.100 0.349 0.000 1.146 285 T CB -0.391 68.832 68.868 0.591 0.000 0.865 285 T HN 0.342 nan 8.240 nan 0.000 0.435 286 Y N 2.194 122.538 120.300 0.074 0.000 2.181 286 Y HA -0.169 4.382 4.550 0.002 0.000 0.288 286 Y C 1.980 177.869 175.900 -0.019 0.000 1.146 286 Y CA 1.494 59.616 58.100 0.038 0.000 1.164 286 Y CB -0.294 38.143 38.460 -0.039 0.000 0.982 286 Y HN 0.118 nan 8.280 nan 0.000 0.515 287 D N 0.104 120.532 120.400 0.047 0.000 2.264 287 D HA -0.097 4.544 4.640 0.002 0.000 0.208 287 D C 2.189 178.395 176.300 -0.156 0.000 0.966 287 D CA 1.102 55.058 54.000 -0.075 0.000 0.864 287 D CB -0.354 40.462 40.800 0.027 0.000 0.933 287 D HN 0.520 nan 8.370 nan 0.000 0.499 288 A N 0.534 123.289 122.820 -0.110 0.000 1.898 288 A HA -0.117 4.204 4.320 0.002 0.000 0.216 288 A C 2.483 179.904 177.584 -0.272 0.000 1.181 288 A CA 0.968 52.928 52.037 -0.128 0.000 0.620 288 A CB -0.661 18.284 19.000 -0.092 0.000 0.819 288 A HN 0.134 nan 8.150 nan 0.000 0.442 289 V N 0.186 119.870 119.914 -0.384 0.000 2.332 289 V HA -0.341 3.780 4.120 0.002 0.000 0.248 289 V C 2.727 178.495 176.094 -0.543 0.000 1.055 289 V CA 2.371 64.415 62.300 -0.427 0.000 1.038 289 V CB -0.877 30.684 31.823 -0.437 0.000 0.651 289 V HN 0.788 nan 8.190 nan 0.000 0.450 290 Q N -0.294 118.982 119.800 -0.874 0.000 2.124 290 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 290 Q C 2.203 177.890 176.000 -0.521 0.000 0.977 290 Q CA 1.976 57.066 55.803 -1.189 0.000 0.850 290 Q CB -0.041 27.873 28.738 -1.374 0.000 0.901 290 Q HN 0.538 nan 8.270 nan 0.000 0.429 291 V N 0.773 120.500 119.914 -0.312 0.000 2.358 291 V HA -0.275 3.846 4.120 0.002 0.000 0.246 291 V C 2.278 178.291 176.094 -0.134 0.000 1.047 291 V CA 1.858 64.074 62.300 -0.141 0.000 1.035 291 V CB -0.469 31.330 31.823 -0.039 0.000 0.658 291 V HN 0.452 nan 8.190 nan 0.000 0.452 292 M N -0.570 118.943 119.600 -0.145 0.000 2.229 292 M HA -0.128 4.353 4.480 0.002 0.000 0.264 292 M C 2.206 178.479 176.300 -0.045 0.000 1.063 292 M CA 1.759 57.009 55.300 -0.083 0.000 1.114 292 M CB -0.724 31.842 32.600 -0.057 0.000 1.387 292 M HN 0.332 nan 8.290 nan 0.000 0.420 293 T N -0.094 114.421 114.554 -0.065 0.000 2.701 293 T HA -0.150 4.201 4.350 0.002 0.000 0.263 293 T C 1.689 176.456 174.700 0.112 0.000 1.040 293 T CA 1.588 63.737 62.100 0.081 0.000 1.147 293 T CB -0.207 68.652 68.868 -0.014 0.000 0.865 293 T HN 0.324 nan 8.240 nan 0.000 0.426 294 E N 1.331 121.527 120.200 -0.007 0.000 2.204 294 E HA -0.020 4.331 4.350 0.002 0.000 0.195 294 E C 2.036 178.634 176.600 -0.004 0.000 0.990 294 E CA 1.144 57.552 56.400 0.012 0.000 0.821 294 E CB -0.403 29.281 29.700 -0.026 0.000 0.750 294 E HN 0.454 nan 8.360 nan 0.000 0.477 295 A N -0.008 122.788 122.820 -0.039 0.000 1.872 295 A HA 0.006 4.327 4.320 0.002 0.000 0.214 295 A C 2.543 180.064 177.584 -0.105 0.000 1.187 295 A CA 1.722 53.718 52.037 -0.068 0.000 0.614 295 A CB -1.273 17.677 19.000 -0.084 0.000 0.826 295 A HN 0.444 nan 8.150 nan 0.000 0.442 296 F N -0.305 119.553 119.950 -0.153 0.000 2.502 296 F HA 0.205 4.733 4.527 0.002 0.000 0.298 296 F C 2.867 178.385 175.800 -0.470 0.000 1.111 296 F CA 2.019 59.810 58.000 -0.349 0.000 1.445 296 F CB -1.383 37.321 39.000 -0.494 0.000 1.081 296 F HN 0.568 nan 8.300 nan 0.000 0.558 297 R N 0.309 120.695 120.500 -0.189 0.000 2.100 297 R HA -0.050 4.291 4.340 0.002 0.000 0.220 297 R C 1.770 178.059 176.300 -0.019 0.000 1.091 297 R CA 1.272 57.377 56.100 0.008 0.000 0.986 297 R CB -1.758 28.710 30.300 0.279 0.000 0.888 297 R HN 0.598 nan 8.270 nan 0.000 0.444 298 N N 0.448 119.127 118.700 -0.034 0.000 2.512 298 N HA -0.016 4.725 4.740 0.002 0.000 0.183 298 N C 1.069 176.547 175.510 -0.054 0.000 1.073 298 N CA 0.681 53.714 53.050 -0.029 0.000 0.911 298 N CB 0.259 38.731 38.487 -0.024 0.000 0.964 298 N HN 0.253 nan 8.380 nan 0.000 0.447 299 L N 0.636 121.802 121.223 -0.096 0.000 2.249 299 L HA 0.089 4.430 4.340 0.002 0.000 0.207 299 L C 2.686 179.499 176.870 -0.095 0.000 1.090 299 L CA 0.940 55.719 54.840 -0.101 0.000 0.802 299 L CB -0.871 41.106 42.059 -0.136 0.000 0.947 299 L HN 0.111 nan 8.230 nan 0.000 0.453 300 R N 0.485 120.917 120.500 -0.114 0.000 2.073 300 R HA -0.031 4.310 4.340 0.002 0.000 0.229 300 R C 2.306 178.591 176.300 -0.026 0.000 1.120 300 R CA 1.686 57.741 56.100 -0.074 0.000 0.967 300 R CB -1.552 28.707 30.300 -0.068 0.000 0.862 300 R HN 0.409 nan 8.270 nan 0.000 0.436 301 K N -0.180 120.213 120.400 -0.012 0.000 2.439 301 K HA 0.129 4.450 4.320 0.002 0.000 0.197 301 K C 2.234 178.831 176.600 -0.006 0.000 1.041 301 K CA 1.559 57.847 56.287 0.003 0.000 0.970 301 K CB -0.814 31.694 32.500 0.015 0.000 0.773 301 K HN 0.776 nan 8.250 nan 0.000 0.479 302 Q N -1.245 118.544 119.800 -0.018 0.000 2.319 302 Q HA 0.440 4.781 4.340 0.002 0.000 0.202 302 Q C 1.295 177.284 176.000 -0.018 0.000 0.896 302 Q CA 1.349 57.141 55.803 -0.018 0.000 0.942 302 Q CB -0.667 28.056 28.738 -0.025 0.000 1.083 302 Q HN 1.509 nan 8.270 nan 0.000 0.510 303 R N -0.187 120.302 120.500 -0.018 0.000 3.267 303 R HA -0.113 4.228 4.340 0.002 0.000 0.254 303 R C -0.025 176.265 176.300 -0.018 0.000 0.993 303 R CA 1.332 57.423 56.100 -0.015 0.000 0.670 303 R CB -3.041 27.254 30.300 -0.007 0.000 1.125 303 R HN 0.858 nan 8.270 nan 0.000 0.434 304 I N 0.911 121.464 120.570 -0.028 0.000 2.382 304 I HA 0.533 4.704 4.170 0.002 0.000 0.285 304 I C 0.900 177.001 176.117 -0.026 0.000 1.007 304 I CA -0.286 60.998 61.300 -0.027 0.000 1.142 304 I CB 1.952 39.930 38.000 -0.037 0.000 1.289 304 I HN 0.669 nan 8.210 nan 0.000 0.453 305 E N 7.414 127.609 120.200 -0.007 0.000 2.259 305 E HA 0.406 4.757 4.350 0.002 0.000 0.281 305 E C 0.315 176.935 176.600 0.033 0.000 1.037 305 E CA -0.311 56.095 56.400 0.010 0.000 0.854 305 E CB 1.022 30.735 29.700 0.022 0.000 1.051 305 E HN 0.788 nan 8.360 nan 0.000 0.409 306 I N -1.799 118.807 120.570 0.060 0.000 4.670 306 I HA 0.259 4.429 4.170 0.002 0.000 0.339 306 I C 0.480 176.789 176.117 0.321 0.000 1.310 306 I CA -0.297 61.087 61.300 0.141 0.000 1.288 306 I CB 0.760 38.814 38.000 0.090 0.000 1.427 306 I HN 0.216 nan 8.210 nan 0.000 0.494 307 S N 2.467 118.307 115.700 0.233 0.000 2.566 307 S HA 0.657 5.127 4.470 0.002 0.000 0.280 307 S C 0.355 175.143 174.600 0.314 0.000 1.343 307 S CA 0.446 58.843 58.200 0.329 0.000 1.036 307 S CB 0.846 64.138 63.200 0.152 0.000 0.866 307 S HN 0.738 nan 8.310 nan 0.000 0.526 308 R N 0.256 120.932 120.500 0.292 0.000 3.142 308 R HA 0.915 5.256 4.340 0.002 0.000 0.260 308 R C -0.307 175.979 176.300 -0.024 0.000 1.129 308 R CA -0.107 56.031 56.100 0.064 0.000 0.976 308 R CB -0.190 30.066 30.300 -0.072 0.000 1.396 308 R HN 0.982 nan 8.270 nan 0.000 0.434 309 R N -1.071 119.347 120.500 -0.137 0.000 3.018 309 R HA 0.764 5.105 4.340 0.002 0.000 0.243 309 R C 1.063 177.212 176.300 -0.252 0.000 1.315 309 R CA -0.128 55.886 56.100 -0.143 0.000 1.039 309 R CB 0.634 30.875 30.300 -0.098 0.000 1.315 309 R HN 1.904 nan 8.270 nan 0.000 0.492 310 G N 0.947 109.621 108.800 -0.209 0.000 3.574 310 G HA2 0.253 4.214 3.960 0.002 0.000 0.262 310 G HA3 0.253 4.214 3.960 0.002 0.000 0.262 310 G C -0.462 174.287 174.900 -0.252 0.000 1.231 310 G CA -0.055 44.892 45.100 -0.255 0.000 1.608 310 G HN 0.503 nan 8.290 nan 0.000 0.628 311 N N 0.177 118.707 118.700 -0.284 0.000 2.466 311 N HA 0.147 4.888 4.740 0.002 0.000 0.272 311 N C 1.598 176.924 175.510 -0.307 0.000 1.455 311 N CA 0.119 53.022 53.050 -0.245 0.000 0.875 311 N CB 1.086 39.476 38.487 -0.161 0.000 1.372 311 N HN 0.229 nan 8.380 nan 0.000 0.492 312 A N 0.483 123.009 122.820 -0.489 0.000 2.076 312 A HA 0.283 4.604 4.320 0.002 0.000 0.220 312 A C 1.304 178.648 177.584 -0.399 0.000 1.160 312 A CA 1.456 53.115 52.037 -0.629 0.000 0.653 312 A CB -0.531 17.712 19.000 -1.262 0.000 0.801 312 A HN 0.507 nan 8.150 nan 0.000 0.455 313 G N -1.182 107.439 108.800 -0.299 0.000 2.728 313 G HA2 -0.049 3.912 3.960 0.002 0.000 0.294 313 G HA3 -0.049 3.912 3.960 0.002 0.000 0.294 313 G C -0.722 174.159 174.900 -0.032 0.000 1.342 313 G CA -0.086 44.939 45.100 -0.126 0.000 0.866 313 G HN 0.518 nan 8.290 nan 0.000 0.534 314 D N -0.065 120.360 120.400 0.041 0.000 2.389 314 D HA 0.320 4.961 4.640 0.002 0.000 0.247 314 D C 2.034 178.464 176.300 0.216 0.000 1.128 314 D CA 0.139 54.203 54.000 0.106 0.000 0.884 314 D CB 0.661 41.501 40.800 0.066 0.000 1.194 314 D HN 1.037 nan 8.370 nan 0.000 0.441 315 c N 3.138 121.906 118.600 0.281 0.000 2.432 315 c HA 0.029 4.600 4.570 0.002 0.000 0.282 315 c C 2.321 176.502 174.090 0.152 0.000 1.388 315 c CA -0.220 56.240 56.329 0.218 0.000 1.777 315 c CB -1.261 41.340 42.510 0.153 0.000 1.882 315 c HN 0.639 nan 8.230 nan 0.000 0.520 316 L N 1.543 122.852 121.223 0.144 0.000 2.627 316 L HA 0.214 4.555 4.340 0.002 0.000 0.233 316 L C 1.705 178.613 176.870 0.065 0.000 1.144 316 L CA 0.006 54.908 54.840 0.103 0.000 0.892 316 L CB -0.808 41.311 42.059 0.099 0.000 1.039 316 L HN 0.327 nan 8.230 nan 0.000 0.442 317 A N 1.269 124.134 122.820 0.074 0.000 2.566 317 A HA 0.023 4.343 4.320 0.002 0.000 0.245 317 A C 0.199 177.801 177.584 0.031 0.000 1.056 317 A CA 0.415 52.484 52.037 0.054 0.000 0.757 317 A CB -0.152 18.889 19.000 0.069 0.000 0.979 317 A HN 0.349 nan 8.150 nan 0.000 0.508 318 N N 2.680 121.393 118.700 0.021 0.000 2.399 318 N HA 0.552 5.293 4.740 0.002 0.000 0.284 318 N C -2.791 172.724 175.510 0.008 0.000 1.025 318 N CA -1.243 51.812 53.050 0.008 0.000 0.885 318 N CB 1.258 39.747 38.487 0.004 0.000 1.339 318 N HN 0.474 nan 8.380 nan 0.000 0.487 319 P HA 0.348 nan 4.420 nan 0.000 0.275 319 P C -1.012 176.292 177.300 0.006 0.000 1.228 319 P CA -0.564 62.536 63.100 0.000 0.000 0.786 319 P CB 0.576 32.276 31.700 -0.001 0.000 0.927 320 A N 2.046 124.864 122.820 -0.003 0.000 2.347 320 A HA 0.384 4.705 4.320 0.002 0.000 0.287 320 A C -0.173 177.417 177.584 0.010 0.000 1.199 320 A CA -0.467 51.574 52.037 0.006 0.000 0.851 320 A CB 0.068 19.054 19.000 -0.024 0.000 1.118 320 A HN 0.490 nan 8.150 nan 0.000 0.525 321 V N 6.020 125.955 119.914 0.035 0.000 2.347 321 V HA 0.530 4.651 4.120 0.002 0.000 0.280 321 V C -2.379 173.750 176.094 0.059 0.000 1.021 321 V CA -1.960 60.356 62.300 0.027 0.000 0.847 321 V CB 1.211 33.053 31.823 0.032 0.000 0.990 321 V HN 0.816 nan 8.190 nan 0.000 0.444 322 P HA 0.235 nan 4.420 nan 0.000 0.276 322 P C -0.709 176.620 177.300 0.048 0.000 1.243 322 P CA -0.198 62.868 63.100 -0.057 0.000 0.768 322 P CB 0.254 31.575 31.700 -0.633 0.000 0.856 323 W N 2.978 124.245 121.300 -0.056 0.000 2.368 323 W HA 0.329 4.990 4.660 0.001 0.000 0.316 323 W C 0.707 177.223 176.519 -0.006 0.000 1.375 323 W CA -0.961 56.373 57.345 -0.018 0.000 1.261 323 W CB -0.871 28.600 29.460 0.018 0.000 1.298 323 W HN 0.612 nan 8.180 nan 0.000 0.539 324 G N 2.030 110.809 108.800 -0.036 0.000 2.499 324 G HA2 -0.319 3.642 3.960 0.002 0.000 0.221 324 G HA3 -0.319 3.642 3.960 0.002 0.000 0.221 324 G C 1.512 176.283 174.900 -0.215 0.000 1.109 324 G CA 1.577 46.610 45.100 -0.111 0.000 0.749 324 G HN 0.752 nan 8.290 nan 0.000 0.568 325 Q N 0.246 119.852 119.800 -0.324 0.000 2.364 325 Q HA 0.180 4.521 4.340 0.002 0.000 0.207 325 Q C 2.627 178.193 176.000 -0.723 0.000 0.970 325 Q CA 1.716 57.268 55.803 -0.418 0.000 0.888 325 Q CB -0.853 27.756 28.738 -0.216 0.000 0.951 325 Q HN 0.534 nan 8.270 nan 0.000 0.469 326 G N -0.257 107.905 108.800 -1.063 0.000 2.421 326 G HA2 -0.023 3.938 3.960 0.002 0.000 0.217 326 G HA3 -0.023 3.938 3.960 0.002 0.000 0.217 326 G C 1.675 176.569 174.900 -0.009 0.000 1.143 326 G CA 0.988 45.698 45.100 -0.651 0.000 0.784 326 G HN 0.483 nan 8.290 nan 0.000 0.541 327 V N 0.874 120.819 119.914 0.051 0.000 2.490 327 V HA -0.129 3.992 4.120 0.002 0.000 0.250 327 V C 2.702 178.787 176.094 -0.016 0.000 1.061 327 V CA 1.807 64.185 62.300 0.131 0.000 1.064 327 V CB -0.228 31.670 31.823 0.126 0.000 0.670 327 V HN 0.306 nan 8.190 nan 0.000 0.461 328 E N -0.040 120.125 120.200 -0.059 0.000 2.112 328 E HA -0.026 4.325 4.350 0.002 0.000 0.190 328 E C 2.185 178.745 176.600 -0.067 0.000 0.979 328 E CA 0.930 57.290 56.400 -0.067 0.000 0.814 328 E CB -0.126 29.533 29.700 -0.069 0.000 0.762 328 E HN 0.578 nan 8.360 nan 0.000 0.460 329 I N 1.203 121.737 120.570 -0.060 0.000 2.361 329 I HA -0.231 3.940 4.170 0.002 0.000 0.251 329 I C 2.595 178.695 176.117 -0.029 0.000 1.133 329 I CA 1.070 62.356 61.300 -0.024 0.000 1.413 329 I CB -0.227 37.796 38.000 0.038 0.000 1.073 329 I HN 0.123 nan 8.210 nan 0.000 0.424 330 E N 1.654 121.825 120.200 -0.048 0.000 2.046 330 E HA -0.239 4.112 4.350 0.002 0.000 0.190 330 E C 2.573 179.075 176.600 -0.163 0.000 0.982 330 E CA 1.484 57.795 56.400 -0.149 0.000 0.800 330 E CB 0.024 29.486 29.700 -0.396 0.000 0.756 330 E HN 0.407 nan 8.360 nan 0.000 0.449 331 R N 0.453 120.870 120.500 -0.139 0.000 2.293 331 R HA 0.065 4.406 4.340 0.002 0.000 0.219 331 R C 1.987 178.234 176.300 -0.087 0.000 1.091 331 R CA 1.483 57.517 56.100 -0.110 0.000 1.004 331 R CB -1.044 29.205 30.300 -0.086 0.000 0.865 331 R HN 0.381 nan 8.270 nan 0.000 0.469 332 A N 0.579 123.346 122.820 -0.089 0.000 1.850 332 A HA 0.209 4.530 4.320 0.002 0.000 0.212 332 A C 2.397 179.922 177.584 -0.098 0.000 1.208 332 A CA 1.000 52.989 52.037 -0.079 0.000 0.609 332 A CB -0.157 18.796 19.000 -0.077 0.000 0.860 332 A HN 0.381 nan 8.150 nan 0.000 0.448 333 L N -0.022 121.120 121.223 -0.134 0.000 2.042 333 L HA -0.204 4.137 4.340 0.002 0.000 0.210 333 L C 3.121 179.796 176.870 -0.325 0.000 1.076 333 L CA 1.934 56.644 54.840 -0.216 0.000 0.749 333 L CB -0.524 41.399 42.059 -0.227 0.000 0.893 333 L HN 0.485 nan 8.230 nan 0.000 0.432 334 K N -0.167 120.077 120.400 -0.261 0.000 2.365 334 K HA -0.033 4.288 4.320 0.002 0.000 0.199 334 K C 2.009 178.605 176.600 -0.008 0.000 1.045 334 K CA 1.464 57.631 56.287 -0.200 0.000 0.962 334 K CB -1.275 31.146 32.500 -0.131 0.000 0.759 334 K HN 0.548 nan 8.250 nan 0.000 0.469 335 Q N -0.136 119.651 119.800 -0.022 0.000 2.408 335 Q HA 0.401 4.741 4.340 0.002 0.000 0.205 335 Q C 1.189 177.228 176.000 0.064 0.000 0.919 335 Q CA 0.537 56.356 55.803 0.026 0.000 0.932 335 Q CB -0.374 28.360 28.738 -0.007 0.000 1.058 335 Q HN 0.441 nan 8.270 nan 0.000 0.517 336 V N 1.761 121.715 119.914 0.066 0.000 2.763 336 V HA 0.166 4.287 4.120 0.002 0.000 0.306 336 V C 0.179 176.381 176.094 0.182 0.000 1.059 336 V CA 0.582 62.940 62.300 0.097 0.000 1.138 336 V CB 1.239 33.102 31.823 0.066 0.000 0.940 336 V HN 0.744 nan 8.190 nan 0.000 0.489 337 Q N 3.343 123.205 119.800 0.102 0.000 3.025 337 Q HA 0.531 4.872 4.340 0.002 0.000 0.216 337 Q C -1.222 174.799 176.000 0.035 0.000 0.828 337 Q CA -0.324 55.521 55.803 0.070 0.000 0.806 337 Q CB 1.700 30.466 28.738 0.047 0.000 1.423 337 Q HN 0.754 nan 8.270 nan 0.000 0.455 338 V N -0.508 119.422 119.914 0.026 0.000 3.164 338 V HA 0.741 4.862 4.120 0.002 0.000 0.313 338 V C -0.816 175.281 176.094 0.005 0.000 1.188 338 V CA -1.015 61.293 62.300 0.013 0.000 1.058 338 V CB 2.105 33.926 31.823 -0.002 0.000 1.110 338 V HN 0.574 nan 8.190 nan 0.000 0.453 339 E N -0.024 120.187 120.200 0.019 0.000 2.151 339 E HA 0.727 5.078 4.350 0.002 0.000 0.275 339 E C -0.024 176.601 176.600 0.043 0.000 0.936 339 E CA 0.440 56.852 56.400 0.020 0.000 0.777 339 E CB 1.194 30.908 29.700 0.023 0.000 1.108 339 E HN 1.187 nan 8.360 nan 0.000 0.401 340 G N 2.634 111.449 108.800 0.026 0.000 3.176 340 G HA2 0.244 4.205 3.960 0.002 0.000 0.272 340 G HA3 0.244 4.205 3.960 0.002 0.000 0.272 340 G C 0.393 175.293 174.900 0.001 0.000 1.349 340 G CA -0.691 44.440 45.100 0.051 0.000 0.953 340 G HN 0.542 nan 8.290 nan 0.000 0.559 341 L N 0.315 121.516 121.223 -0.037 0.000 2.131 341 L HA -0.013 4.328 4.340 0.002 0.000 0.210 341 L C 2.238 179.034 176.870 -0.124 0.000 1.092 341 L CA 1.613 56.357 54.840 -0.160 0.000 0.759 341 L CB -0.252 41.606 42.059 -0.336 0.000 0.903 341 L HN 0.499 nan 8.230 nan 0.000 0.435 342 S N -0.258 115.403 115.700 -0.066 0.000 2.596 342 S HA 0.471 4.942 4.470 0.002 0.000 0.248 342 S C 0.835 175.423 174.600 -0.019 0.000 1.162 342 S CA -0.109 58.068 58.200 -0.038 0.000 1.185 342 S CB -0.305 62.887 63.200 -0.013 0.000 0.833 342 S HN 0.548 nan 8.310 nan 0.000 0.472 343 G N 2.227 111.010 108.800 -0.028 0.000 2.645 343 G HA2 -0.305 3.656 3.960 0.002 0.000 0.246 343 G HA3 -0.305 3.656 3.960 0.002 0.000 0.246 343 G C -0.354 174.536 174.900 -0.017 0.000 1.322 343 G CA -0.298 44.791 45.100 -0.017 0.000 0.898 343 G HN 0.761 nan 8.290 nan 0.000 0.573 344 N N 0.366 119.057 118.700 -0.016 0.000 2.452 344 N HA 0.309 5.050 4.740 0.002 0.000 0.266 344 N C 0.353 175.833 175.510 -0.050 0.000 1.209 344 N CA 0.113 53.147 53.050 -0.028 0.000 0.929 344 N CB -0.127 38.340 38.487 -0.032 0.000 1.063 344 N HN 0.544 nan 8.380 nan 0.000 0.472 345 I N 2.148 122.670 120.570 -0.081 0.000 2.312 345 I HA 0.410 4.581 4.170 0.002 0.000 0.290 345 I C 0.591 176.553 176.117 -0.259 0.000 1.008 345 I CA -0.505 60.681 61.300 -0.189 0.000 1.226 345 I CB 0.706 38.633 38.000 -0.121 0.000 1.371 345 I HN 0.510 nan 8.210 nan 0.000 0.468 346 K N 5.899 126.026 120.400 -0.454 0.000 2.512 346 K HA 0.877 5.198 4.320 0.002 0.000 0.263 346 K C -1.601 174.617 176.600 -0.635 0.000 0.966 346 K CA -0.499 55.575 56.287 -0.354 0.000 0.851 346 K CB 1.973 34.405 32.500 -0.115 0.000 1.395 346 K HN 0.385 nan 8.250 nan 0.000 0.440 347 F N 0.741 120.708 119.950 0.028 0.000 2.620 347 F HA 0.583 5.111 4.527 0.002 0.000 0.320 347 F C 0.323 176.135 175.800 0.020 0.000 1.069 347 F CA -0.702 57.314 58.000 0.027 0.000 0.953 347 F CB 2.419 41.424 39.000 0.008 0.000 1.322 347 F HN 0.813 nan 8.300 nan 0.000 0.479 348 D N -0.278 120.252 120.400 0.217 0.000 2.564 348 D HA 0.384 5.024 4.640 0.002 0.000 0.273 348 D C 0.926 177.277 176.300 0.084 0.000 1.192 348 D CA -0.217 53.853 54.000 0.117 0.000 1.080 348 D CB -0.194 40.659 40.800 0.088 0.000 1.160 348 D HN 0.555 nan 8.370 nan 0.000 0.607 349 Q N -0.523 119.298 119.800 0.035 0.000 2.291 349 Q HA -0.120 4.221 4.340 0.002 0.000 0.206 349 Q C 1.373 177.356 176.000 -0.028 0.000 0.976 349 Q CA 1.712 57.509 55.803 -0.009 0.000 0.875 349 Q CB -1.043 27.683 28.738 -0.021 0.000 0.927 349 Q HN 0.486 nan 8.270 nan 0.000 0.450 350 N N -1.334 117.372 118.700 0.010 0.000 2.349 350 N HA 0.239 4.980 4.740 0.002 0.000 0.180 350 N C 1.489 177.018 175.510 0.030 0.000 1.024 350 N CA 1.715 54.770 53.050 0.007 0.000 0.869 350 N CB 0.838 39.341 38.487 0.028 0.000 1.022 350 N HN 0.655 nan 8.380 nan 0.000 0.433 351 G N -1.527 107.329 108.800 0.093 0.000 2.672 351 G HA2 -0.060 3.901 3.960 0.002 0.000 0.197 351 G HA3 -0.060 3.901 3.960 0.002 0.000 0.197 351 G C 0.202 175.266 174.900 0.273 0.000 0.995 351 G CA 0.194 45.378 45.100 0.140 0.000 0.754 351 G HN 0.620 nan 8.290 nan 0.000 0.505 352 K N 1.644 122.165 120.400 0.202 0.000 2.350 352 K HA 0.681 5.001 4.320 0.002 0.000 0.279 352 K C 0.640 177.340 176.600 0.165 0.000 1.027 352 K CA -0.109 56.283 56.287 0.175 0.000 0.969 352 K CB 0.075 32.656 32.500 0.135 0.000 0.954 352 K HN 0.553 nan 8.250 nan 0.000 0.474 353 R N 0.717 121.253 120.500 0.059 0.000 2.643 353 R HA 0.434 4.775 4.340 0.002 0.000 0.270 353 R C 0.558 176.931 176.300 0.122 0.000 1.061 353 R CA 0.193 56.229 56.100 -0.107 0.000 1.107 353 R CB 0.020 30.152 30.300 -0.280 0.000 0.999 353 R HN 0.836 nan 8.270 nan 0.000 0.460 354 I N -1.680 118.961 120.570 0.118 0.000 3.174 354 I HA 0.360 4.531 4.170 0.002 0.000 0.313 354 I C -0.116 176.077 176.117 0.126 0.000 1.155 354 I CA -1.189 60.234 61.300 0.204 0.000 0.977 354 I CB 1.915 39.964 38.000 0.081 0.000 1.248 354 I HN 0.500 nan 8.210 nan 0.000 0.453 355 N N 1.647 120.332 118.700 -0.025 0.000 2.725 355 N HA -0.248 4.493 4.740 0.002 0.000 0.251 355 N C -1.142 174.342 175.510 -0.044 0.000 1.031 355 N CA 1.377 54.372 53.050 -0.093 0.000 0.720 355 N CB -1.193 37.259 38.487 -0.058 0.000 0.930 355 N HN 0.756 nan 8.380 nan 0.000 0.543 356 Y N -2.633 117.652 120.300 -0.025 0.000 2.596 356 Y HA 0.843 5.394 4.550 0.002 0.000 0.326 356 Y C 0.396 176.322 175.900 0.044 0.000 1.167 356 Y CA -0.929 57.167 58.100 -0.007 0.000 1.246 356 Y CB 0.787 39.250 38.460 0.005 0.000 1.347 356 Y HN -0.019 nan 8.280 nan 0.000 0.515 357 T N 2.462 117.169 114.554 0.255 0.000 2.928 357 T HA 0.527 4.878 4.350 0.002 0.000 0.296 357 T C -0.974 173.910 174.700 0.307 0.000 1.000 357 T CA -0.500 61.722 62.100 0.202 0.000 0.989 357 T CB 0.670 69.547 68.868 0.014 0.000 1.005 357 T HN 0.563 nan 8.240 nan 0.000 0.442 358 I N 3.544 124.357 120.570 0.404 0.000 2.382 358 I HA 0.336 4.507 4.170 0.002 0.000 0.285 358 I C -0.358 175.956 176.117 0.329 0.000 1.007 358 I CA -1.028 60.478 61.300 0.344 0.000 1.142 358 I CB 1.329 39.534 38.000 0.342 0.000 1.289 358 I HN 0.441 nan 8.210 nan 0.000 0.453 359 N N 6.178 125.016 118.700 0.230 0.000 2.475 359 N HA 0.280 5.021 4.740 0.002 0.000 0.267 359 N C -0.525 175.048 175.510 0.105 0.000 1.169 359 N CA -0.158 52.998 53.050 0.177 0.000 0.947 359 N CB 0.753 39.311 38.487 0.118 0.000 1.061 359 N HN 0.377 nan 8.380 nan 0.000 0.466 360 I N 3.160 123.745 120.570 0.025 0.000 2.416 360 I HA 0.172 4.343 4.170 0.002 0.000 0.288 360 I C 0.232 176.205 176.117 -0.241 0.000 1.051 360 I CA 0.164 61.361 61.300 -0.172 0.000 1.375 360 I CB 0.348 38.219 38.000 -0.215 0.000 1.407 360 I HN 0.238 nan 8.210 nan 0.000 0.516 361 M N 5.802 125.140 119.600 -0.436 0.000 2.528 361 M HA 0.517 4.998 4.480 0.002 0.000 0.321 361 M C -0.458 175.512 176.300 -0.550 0.000 1.153 361 M CA -0.540 54.475 55.300 -0.475 0.000 0.951 361 M CB 1.740 33.955 32.600 -0.642 0.000 1.705 361 M HN 0.486 nan 8.290 nan 0.000 0.451 362 E N 1.443 121.478 120.200 -0.275 0.000 2.266 362 E HA 0.499 4.849 4.350 0.002 0.000 0.268 362 E C -1.551 175.058 176.600 0.015 0.000 0.879 362 E CA -1.017 55.304 56.400 -0.130 0.000 0.762 362 E CB 3.259 32.961 29.700 0.004 0.000 1.199 362 E HN 0.386 nan 8.360 nan 0.000 0.422 363 L N 2.601 123.888 121.223 0.106 0.000 2.259 363 L HA 0.395 4.736 4.340 0.002 0.000 0.288 363 L C -0.043 176.851 176.870 0.039 0.000 1.051 363 L CA 0.288 55.215 54.840 0.144 0.000 0.824 363 L CB -0.131 42.049 42.059 0.201 0.000 1.206 363 L HN 0.602 nan 8.230 nan 0.000 0.429 364 K N 2.381 122.792 120.400 0.018 0.000 2.502 364 K HA 0.550 4.871 4.320 0.002 0.000 0.252 364 K C 0.946 177.510 176.600 -0.060 0.000 1.043 364 K CA 0.360 56.645 56.287 -0.003 0.000 0.999 364 K CB -0.453 32.059 32.500 0.020 0.000 1.343 364 K HN 0.621 nan 8.250 nan 0.000 0.513 365 T N 1.343 115.877 114.554 -0.035 0.000 2.777 365 T HA -0.138 4.213 4.350 0.002 0.000 0.266 365 T C 1.512 176.187 174.700 -0.042 0.000 1.040 365 T CA 1.668 63.738 62.100 -0.050 0.000 1.141 365 T CB -0.164 68.738 68.868 0.057 0.000 0.868 365 T HN 0.808 nan 8.240 nan 0.000 0.444 366 N N 1.462 120.166 118.700 0.006 0.000 2.515 366 N HA 0.230 4.971 4.740 0.002 0.000 0.185 366 N C 0.865 176.376 175.510 0.002 0.000 1.109 366 N CA 0.763 53.829 53.050 0.028 0.000 0.903 366 N CB -0.079 38.432 38.487 0.040 0.000 0.969 366 N HN 0.536 nan 8.380 nan 0.000 0.450 367 G N -0.170 108.609 108.800 -0.036 0.000 2.353 367 G HA2 -0.039 3.922 3.960 0.002 0.000 0.615 367 G HA3 -0.039 3.922 3.960 0.002 0.000 0.615 367 G C -3.220 171.695 174.900 0.024 0.000 1.280 367 G CA -0.724 44.358 45.100 -0.029 0.000 1.000 367 G HN 0.136 nan 8.290 nan 0.000 0.516 368 P HA 0.466 nan 4.420 nan 0.000 0.267 368 P C -0.075 177.288 177.300 0.105 0.000 1.201 368 P CA 0.918 64.119 63.100 0.168 0.000 0.775 368 P CB 0.481 32.327 31.700 0.244 0.000 0.854 369 R N -0.706 119.845 120.500 0.084 0.000 2.522 369 R HA 0.602 4.943 4.340 0.002 0.000 0.273 369 R C -0.194 176.115 176.300 0.016 0.000 1.133 369 R CA -0.583 55.547 56.100 0.049 0.000 0.969 369 R CB -0.339 29.985 30.300 0.040 0.000 1.235 369 R HN 0.677 nan 8.270 nan 0.000 0.433 370 K N 1.855 122.270 120.400 0.025 0.000 2.383 370 K HA 0.529 4.850 4.320 0.002 0.000 0.286 370 K C 1.001 177.597 176.600 -0.007 0.000 1.051 370 K CA 0.396 56.686 56.287 0.005 0.000 0.974 370 K CB -0.186 32.337 32.500 0.039 0.000 0.968 370 K HN 1.346 nan 8.250 nan 0.000 0.475 371 I N -1.269 119.272 120.570 -0.047 0.000 3.956 371 I HA 0.495 4.666 4.170 0.002 0.000 0.333 371 I C 0.646 176.706 176.117 -0.095 0.000 1.302 371 I CA 0.212 61.475 61.300 -0.061 0.000 1.122 371 I CB 0.415 38.367 38.000 -0.080 0.000 1.013 371 I HN 0.722 nan 8.210 nan 0.000 0.405 372 G N 1.058 109.821 108.800 -0.062 0.000 2.327 372 G HA2 0.280 4.241 3.960 0.002 0.000 0.291 372 G HA3 0.280 4.241 3.960 0.002 0.000 0.291 372 G C -1.855 173.079 174.900 0.055 0.000 1.290 372 G CA -0.270 44.799 45.100 -0.052 0.000 0.857 372 G HN 0.401 nan 8.290 nan 0.000 0.520 373 Y N -2.702 117.581 120.300 -0.028 0.000 2.669 373 Y HA 0.859 5.410 4.550 0.002 0.000 0.335 373 Y C -1.354 174.613 175.900 0.112 0.000 1.116 373 Y CA -2.352 55.775 58.100 0.045 0.000 1.081 373 Y CB 1.836 40.311 38.460 0.025 0.000 1.297 373 Y HN 0.848 nan 8.280 nan 0.000 0.484 374 W N 1.957 123.336 121.300 0.131 0.000 2.647 374 W HA 0.676 5.337 4.660 0.002 0.000 0.328 374 W C -1.309 175.264 176.519 0.090 0.000 1.018 374 W CA -0.638 56.713 57.345 0.009 0.000 1.245 374 W CB 2.123 31.603 29.460 0.033 0.000 1.356 374 W HN 0.723 nan 8.180 nan 0.000 0.443 375 S N 3.005 118.360 115.700 -0.575 0.000 2.549 375 S HA 0.156 4.627 4.470 0.002 0.000 0.297 375 S C 1.077 174.868 174.600 -1.349 0.000 1.115 375 S CA -0.319 57.501 58.200 -0.633 0.000 1.059 375 S CB 1.309 64.357 63.200 -0.254 0.000 1.046 375 S HN 0.710 nan 8.310 nan 0.000 0.506 376 E N 2.417 121.989 120.200 -1.046 0.000 2.401 376 E HA -0.100 4.251 4.350 0.002 0.000 0.199 376 E C 1.156 177.444 176.600 -0.520 0.000 1.023 376 E CA 1.435 57.345 56.400 -0.818 0.000 0.859 376 E CB -0.276 29.169 29.700 -0.424 0.000 0.780 376 E HN 0.475 nan 8.360 nan 0.000 0.523 377 V N -3.039 116.595 119.914 -0.466 0.000 3.612 377 V HA 0.173 4.294 4.120 0.002 0.000 0.268 377 V C 0.660 176.585 176.094 -0.280 0.000 1.365 377 V CA 0.209 62.337 62.300 -0.287 0.000 1.044 377 V CB 0.541 32.246 31.823 -0.197 0.000 0.820 377 V HN -0.045 nan 8.190 nan 0.000 0.444 378 D N 0.660 120.837 120.400 -0.372 0.000 2.469 378 D HA 0.368 5.009 4.640 0.002 0.000 0.213 378 D C 1.299 177.354 176.300 -0.409 0.000 1.135 378 D CA 1.035 54.852 54.000 -0.304 0.000 0.834 378 D CB 1.225 41.901 40.800 -0.206 0.000 1.009 378 D HN 0.691 nan 8.370 nan 0.000 0.507 379 K N 0.791 120.806 120.400 -0.642 0.000 1.898 379 K HA -0.298 4.023 4.320 0.002 0.000 0.256 379 K C 0.468 176.679 176.600 -0.648 0.000 1.652 379 K CA 1.409 57.286 56.287 -0.683 0.000 0.589 379 K CB -1.629 30.750 32.500 -0.201 0.000 0.785 379 K HN 0.291 nan 8.250 nan 0.000 0.824 380 M N 0.755 120.232 119.600 -0.205 0.000 2.216 380 M HA 0.572 5.053 4.480 0.002 0.000 0.356 380 M C -0.885 175.205 176.300 -0.351 0.000 1.205 380 M CA -0.581 54.615 55.300 -0.173 0.000 1.122 380 M CB 1.255 33.829 32.600 -0.043 0.000 1.571 380 M HN 0.579 nan 8.290 nan 0.000 0.464 381 V N 6.255 125.831 119.914 -0.562 0.000 2.524 381 V HA 0.341 4.461 4.120 0.002 0.000 0.297 381 V C -0.741 175.086 176.094 -0.444 0.000 1.035 381 V CA -0.856 61.117 62.300 -0.545 0.000 0.867 381 V CB 1.564 32.942 31.823 -0.741 0.000 1.004 381 V HN 0.733 nan 8.190 nan 0.000 0.426 382 L N 3.837 124.900 121.223 -0.266 0.000 2.397 382 L HA 0.458 4.799 4.340 0.002 0.000 0.271 382 L C 0.807 177.629 176.870 -0.079 0.000 1.148 382 L CA 0.809 55.538 54.840 -0.184 0.000 0.825 382 L CB 1.208 43.175 42.059 -0.153 0.000 1.117 382 L HN 0.635 nan 8.230 nan 0.000 0.456 383 T N 1.914 116.450 114.554 -0.029 0.000 2.770 383 T HA 0.347 4.698 4.350 0.002 0.000 0.297 383 T C 0.368 175.075 174.700 0.012 0.000 0.997 383 T CA -0.477 61.636 62.100 0.021 0.000 0.949 383 T CB 0.711 69.616 68.868 0.062 0.000 0.941 383 T HN 0.680 nan 8.240 nan 0.000 0.457 384 E N 1.734 121.942 120.200 0.013 0.000 1.855 384 E HA 0.353 4.704 4.350 0.002 0.000 0.259 384 E C 0.627 177.239 176.600 0.021 0.000 1.229 384 E CA 0.188 56.597 56.400 0.016 0.000 1.042 384 E CB -1.268 28.441 29.700 0.015 0.000 1.079 384 E HN 0.879 nan 8.360 nan 0.000 0.434 385 D N 0.496 120.909 120.400 0.022 0.000 2.615 385 D HA 0.458 5.099 4.640 0.002 0.000 0.236 385 D C 0.354 176.670 176.300 0.027 0.000 1.233 385 D CA 0.562 54.577 54.000 0.025 0.000 0.829 385 D CB -0.226 40.590 40.800 0.027 0.000 1.024 385 D HN 0.894 nan 8.370 nan 0.000 0.490 386 D N -1.708 118.709 120.400 0.027 0.000 2.477 386 D HA 0.751 5.392 4.640 0.002 0.000 0.234 386 D C 0.459 176.775 176.300 0.028 0.000 1.048 386 D CA 0.212 54.230 54.000 0.031 0.000 0.959 386 D CB 1.137 41.959 40.800 0.036 0.000 1.408 386 D HN 0.390 nan 8.370 nan 0.000 0.496 387 T N 0.115 114.686 114.554 0.028 0.000 3.598 387 T HA 0.632 4.983 4.350 0.002 0.000 0.343 387 T C 0.976 175.691 174.700 0.027 0.000 1.697 387 T CA 0.609 62.724 62.100 0.026 0.000 1.247 387 T CB -1.123 67.760 68.868 0.025 0.000 1.210 387 T HN 1.075 nan 8.240 nan 0.000 0.820 388 S N 0.108 115.824 115.700 0.027 0.000 2.641 388 S HA 0.561 5.032 4.470 0.002 0.000 0.251 388 S C 1.637 176.251 174.600 0.024 0.000 1.332 388 S CA 0.227 58.443 58.200 0.027 0.000 0.968 388 S CB -0.330 62.886 63.200 0.027 0.000 0.987 388 S HN 2.072 nan 8.310 nan 0.000 0.587 389 G N -2.915 105.900 108.800 0.024 0.000 2.198 389 G HA2 0.258 4.219 3.960 0.002 0.000 0.257 389 G HA3 0.258 4.219 3.960 0.002 0.000 0.257 389 G C 0.116 175.029 174.900 0.023 0.000 1.042 389 G CA 0.449 45.562 45.100 0.022 0.000 0.791 389 G HN 2.158 nan 8.290 nan 0.000 0.502 390 L N -1.752 119.486 121.223 0.026 0.000 2.265 390 L HA 1.028 5.369 4.340 0.002 0.000 0.288 390 L C 1.438 178.325 176.870 0.029 0.000 1.058 390 L CA 0.954 55.810 54.840 0.026 0.000 0.809 390 L CB -0.159 41.917 42.059 0.028 0.000 1.179 390 L HN 2.216 nan 8.230 nan 0.000 0.429 391 E N 0.155 120.372 120.200 0.028 0.000 2.586 391 E HA -0.050 4.301 4.350 0.002 0.000 0.259 391 E C 0.771 177.394 176.600 0.038 0.000 1.107 391 E CA 2.378 58.798 56.400 0.033 0.000 0.754 391 E CB -2.588 27.133 29.700 0.036 0.000 1.335 391 E HN 2.538 nan 8.360 nan 0.000 0.411 392 Q N -1.864 117.957 119.800 0.034 0.000 2.316 392 Q HA 0.630 4.971 4.340 0.002 0.000 0.235 392 Q C 1.669 177.691 176.000 0.036 0.000 0.863 392 Q CA 1.555 57.379 55.803 0.034 0.000 0.939 392 Q CB -0.349 28.405 28.738 0.027 0.000 1.108 392 Q HN 2.046 nan 8.270 nan 0.000 0.522 393 K N 2.357 122.776 120.400 0.032 0.000 2.320 393 K HA 0.336 4.657 4.320 0.002 0.000 0.273 393 K C 0.545 177.171 176.600 0.043 0.000 1.146 393 K CA 0.364 56.668 56.287 0.029 0.000 1.144 393 K CB -1.689 30.822 32.500 0.017 0.000 0.878 393 K HN 0.853 nan 8.250 nan 0.000 0.458 394 T N -0.842 113.742 114.554 0.051 0.000 2.930 394 T HA 0.300 4.651 4.350 0.002 0.000 0.306 394 T C 0.423 175.172 174.700 0.083 0.000 1.045 394 T CA -0.716 61.435 62.100 0.085 0.000 1.134 394 T CB 0.882 69.792 68.868 0.070 0.000 0.961 394 T HN 0.360 nan 8.240 nan 0.000 0.545 395 V N 4.016 124.006 119.914 0.128 0.000 2.521 395 V HA 0.100 4.221 4.120 0.002 0.000 0.286 395 V C 0.629 176.778 176.094 0.092 0.000 1.034 395 V CA -0.564 61.760 62.300 0.039 0.000 1.045 395 V CB 0.755 32.500 31.823 -0.130 0.000 0.974 395 V HN 0.833 nan 8.190 nan 0.000 0.480 396 V N 6.790 126.718 119.914 0.024 0.000 2.387 396 V HA 0.136 4.257 4.120 0.002 0.000 0.260 396 V C 0.204 176.306 176.094 0.013 0.000 1.054 396 V CA -0.183 62.136 62.300 0.032 0.000 0.967 396 V CB 1.051 32.877 31.823 0.005 0.000 1.036 396 V HN 0.611 nan 8.190 nan 0.000 0.481 397 V N 4.674 124.620 119.914 0.054 0.000 2.333 397 V HA 0.281 4.402 4.120 0.002 0.000 0.274 397 V C 0.564 176.638 176.094 -0.033 0.000 1.028 397 V CA -0.117 62.185 62.300 0.004 0.000 0.851 397 V CB 1.524 33.359 31.823 0.020 0.000 1.000 397 V HN 0.896 nan 8.190 nan 0.000 0.456 398 T N 3.945 118.463 114.554 -0.060 0.000 2.882 398 T HA 0.586 4.937 4.350 0.002 0.000 0.287 398 T C -0.215 174.427 174.700 -0.098 0.000 0.992 398 T CA 0.053 62.108 62.100 -0.076 0.000 1.076 398 T CB 1.211 70.041 68.868 -0.064 0.000 0.961 398 T HN 0.903 nan 8.240 nan 0.000 0.490 399 T N 3.730 118.208 114.554 -0.128 0.000 2.802 399 T HA 0.552 4.903 4.350 0.002 0.000 0.311 399 T C -1.476 173.121 174.700 -0.172 0.000 1.405 399 T CA -0.734 61.280 62.100 -0.143 0.000 1.016 399 T CB 1.138 69.908 68.868 -0.163 0.000 1.352 399 T HN 0.670 nan 8.240 nan 0.000 0.498 400 I N 2.831 123.291 120.570 -0.184 0.000 2.607 400 I HA 0.540 4.711 4.170 0.002 0.000 0.305 400 I C -0.572 175.443 176.117 -0.170 0.000 0.995 400 I CA -1.390 59.773 61.300 -0.228 0.000 1.148 400 I CB 1.268 39.018 38.000 -0.418 0.000 1.323 400 I HN 0.620 nan 8.210 nan 0.000 0.461 401 L N 6.149 127.288 121.223 -0.140 0.000 2.401 401 L HA 0.255 4.596 4.340 0.002 0.000 0.283 401 L C -0.688 176.145 176.870 -0.062 0.000 1.151 401 L CA 0.246 55.039 54.840 -0.079 0.000 0.942 401 L CB -0.239 41.793 42.059 -0.046 0.000 1.283 401 L HN 0.495 nan 8.230 nan 0.000 0.442 402 E N 1.737 121.917 120.200 -0.035 0.000 2.281 402 E HA 0.283 4.634 4.350 0.002 0.000 0.266 402 E C -0.959 175.650 176.600 0.015 0.000 0.893 402 E CA -0.344 56.064 56.400 0.014 0.000 0.798 402 E CB 1.458 31.194 29.700 0.059 0.000 1.245 402 E HN 0.327 nan 8.360 nan 0.000 0.410 403 S N 5.487 121.124 115.700 -0.105 0.000 2.564 403 S HA 0.241 4.712 4.470 0.002 0.000 0.278 403 S C -1.899 172.300 174.600 -0.669 0.000 1.333 403 S CA -0.783 57.209 58.200 -0.348 0.000 1.048 403 S CB 0.811 63.818 63.200 -0.321 0.000 0.900 403 S HN 0.494 nan 8.310 nan 0.000 0.505 404 P HA 0.241 nan 4.420 nan 0.000 0.257 404 P C -0.265 176.577 177.300 -0.763 0.000 1.737 404 P CA -0.138 62.429 63.100 -0.888 0.000 1.130 404 P CB -0.095 30.989 31.700 -1.028 0.000 1.572 405 Y N -0.164 119.899 120.300 -0.396 0.000 2.176 405 Y HA 0.047 4.598 4.550 0.002 0.000 0.291 405 Y C 1.358 177.090 175.900 -0.280 0.000 1.122 405 Y CA 0.919 58.882 58.100 -0.229 0.000 1.128 405 Y CB 0.011 38.425 38.460 -0.078 0.000 1.005 405 Y HN -0.251 nan 8.280 nan 0.000 0.509 406 V N 1.579 121.458 119.914 -0.059 0.000 2.488 406 V HA 0.329 4.450 4.120 0.002 0.000 0.293 406 V C -0.675 175.387 176.094 -0.054 0.000 1.027 406 V CA -0.732 61.515 62.300 -0.089 0.000 0.862 406 V CB 1.336 33.104 31.823 -0.091 0.000 1.008 406 V HN 0.129 nan 8.190 nan 0.000 0.428 407 M N 4.430 124.011 119.600 -0.032 0.000 2.619 407 M HA 0.662 5.143 4.480 0.002 0.000 0.297 407 M C -0.731 175.610 176.300 0.068 0.000 1.229 407 M CA -0.811 54.493 55.300 0.007 0.000 0.860 407 M CB 2.366 34.951 32.600 -0.025 0.000 1.741 407 M HN 0.296 nan 8.290 nan 0.000 0.462 408 M N 2.188 121.791 119.600 0.005 0.000 2.184 408 M HA 0.236 4.717 4.480 0.002 0.000 0.351 408 M C 0.359 176.652 176.300 -0.012 0.000 1.395 408 M CA -0.053 55.185 55.300 -0.104 0.000 1.117 408 M CB 0.050 32.449 32.600 -0.335 0.000 1.708 408 M HN 0.813 nan 8.290 nan 0.000 0.468 409 K N 2.567 122.978 120.400 0.018 0.000 2.397 409 K HA 0.408 4.729 4.320 0.002 0.000 0.265 409 K C 1.281 177.960 176.600 0.133 0.000 0.982 409 K CA 0.557 56.896 56.287 0.085 0.000 0.931 409 K CB -0.400 32.143 32.500 0.071 0.000 0.943 409 K HN 0.817 nan 8.250 nan 0.000 0.501 410 A N 1.561 124.444 122.820 0.106 0.000 1.848 410 A HA -0.193 4.128 4.320 0.002 0.000 0.217 410 A C 1.310 178.937 177.584 0.072 0.000 1.220 410 A CA 2.176 54.268 52.037 0.093 0.000 0.645 410 A CB -0.711 18.325 19.000 0.059 0.000 0.842 410 A HN 1.127 nan 8.150 nan 0.000 0.451 411 N N 0.429 119.142 118.700 0.021 0.000 3.259 411 N HA 0.110 4.851 4.740 0.002 0.000 0.308 411 N C 0.293 175.756 175.510 -0.078 0.000 1.334 411 N CA 0.524 53.541 53.050 -0.054 0.000 1.202 411 N CB -0.951 37.512 38.487 -0.040 0.000 1.485 411 N HN 0.807 nan 8.380 nan 0.000 0.549 412 H N -1.827 117.213 119.070 -0.051 0.000 2.491 412 H HA 0.199 4.756 4.556 0.002 0.000 0.290 412 H C 1.627 176.906 175.328 -0.082 0.000 1.050 412 H CA 1.125 57.117 56.048 -0.093 0.000 1.309 412 H CB -0.009 29.674 29.762 -0.132 0.000 1.392 412 H HN 0.347 nan 8.280 nan 0.000 0.554 413 A N 0.989 123.443 122.820 -0.610 0.000 2.066 413 A HA 0.248 4.569 4.320 0.002 0.000 0.218 413 A C 2.323 179.810 177.584 -0.163 0.000 1.157 413 A CA 0.945 52.763 52.037 -0.365 0.000 0.670 413 A CB -0.705 18.061 19.000 -0.390 0.000 0.804 413 A HN 0.644 nan 8.150 nan 0.000 0.453 414 A N -1.110 121.628 122.820 -0.137 0.000 2.345 414 A HA 0.600 4.921 4.320 0.002 0.000 0.225 414 A C 0.539 178.093 177.584 -0.050 0.000 1.243 414 A CA -0.105 51.886 52.037 -0.076 0.000 0.875 414 A CB -0.136 18.825 19.000 -0.065 0.000 0.929 414 A HN 0.380 nan 8.150 nan 0.000 0.502 415 L N -1.770 119.423 121.223 -0.050 0.000 2.279 415 L HA 0.868 5.209 4.340 0.002 0.000 0.262 415 L C 0.039 176.891 176.870 -0.030 0.000 1.019 415 L CA -0.819 54.002 54.840 -0.032 0.000 0.823 415 L CB 2.095 44.139 42.059 -0.026 0.000 1.358 415 L HN 0.138 nan 8.230 nan 0.000 0.432 416 A N -0.461 122.346 122.820 -0.023 0.000 2.593 416 A HA 0.862 5.183 4.320 0.002 0.000 0.290 416 A C -0.061 177.522 177.584 -0.001 0.000 1.126 416 A CA 0.032 52.061 52.037 -0.013 0.000 0.695 416 A CB 1.128 20.126 19.000 -0.005 0.000 1.290 416 A HN 1.097 nan 8.150 nan 0.000 0.414 417 G N 0.765 109.579 108.800 0.024 0.000 2.550 417 G HA2 -0.277 3.684 3.960 0.002 0.000 0.277 417 G HA3 -0.277 3.684 3.960 0.002 0.000 0.277 417 G C 0.398 175.362 174.900 0.107 0.000 1.190 417 G CA 0.722 45.852 45.100 0.049 0.000 0.971 417 G HN 1.117 nan 8.290 nan 0.000 0.559 418 N N 1.822 120.575 118.700 0.088 0.000 2.446 418 N HA 0.263 5.004 4.740 0.002 0.000 0.179 418 N C 2.192 177.796 175.510 0.157 0.000 1.054 418 N CA 1.892 55.046 53.050 0.173 0.000 0.905 418 N CB -0.404 38.119 38.487 0.059 0.000 0.973 418 N HN 0.978 nan 8.380 nan 0.000 0.448 419 E N 1.365 121.603 120.200 0.064 0.000 2.338 419 E HA -0.069 4.282 4.350 0.002 0.000 0.197 419 E C 1.879 178.481 176.600 0.002 0.000 1.007 419 E CA 0.681 57.107 56.400 0.042 0.000 0.849 419 E CB -0.673 29.038 29.700 0.018 0.000 0.774 419 E HN 0.428 nan 8.360 nan 0.000 0.506 420 R N -1.309 119.135 120.500 -0.094 0.000 2.148 420 R HA 0.049 4.390 4.340 0.002 0.000 0.227 420 R C 0.060 176.130 176.300 -0.384 0.000 1.103 420 R CA 0.757 56.674 56.100 -0.305 0.000 0.983 420 R CB -0.137 29.810 30.300 -0.589 0.000 0.874 420 R HN 0.518 nan 8.270 nan 0.000 0.451 421 Y N 0.596 120.922 120.300 0.043 0.000 2.496 421 Y HA 0.289 4.840 4.550 0.002 0.000 0.331 421 Y C 0.000 175.921 175.900 0.035 0.000 1.140 421 Y CA -1.263 56.849 58.100 0.019 0.000 1.166 421 Y CB 1.337 39.797 38.460 0.001 0.000 1.249 421 Y HN 0.010 nan 8.280 nan 0.000 0.479 422 E N 0.081 120.378 120.200 0.161 0.000 2.372 422 E HA 0.800 5.151 4.350 0.002 0.000 0.279 422 E C -0.787 175.670 176.600 -0.239 0.000 0.946 422 E CA -1.162 55.296 56.400 0.097 0.000 0.769 422 E CB 2.426 32.279 29.700 0.255 0.000 1.230 422 E HN 0.896 nan 8.360 nan 0.000 0.442 423 G N 0.653 109.009 108.800 -0.739 0.000 2.359 423 G HA2 -0.057 3.904 3.960 0.002 0.000 0.293 423 G HA3 -0.057 3.904 3.960 0.002 0.000 0.293 423 G C -0.735 173.310 174.900 -1.425 0.000 1.300 423 G CA -0.333 43.818 45.100 -1.582 0.000 0.888 423 G HN 0.574 nan 8.290 nan 0.000 0.541 424 Y N -0.028 119.440 120.300 -1.387 0.000 2.097 424 Y HA -0.127 4.424 4.550 0.002 0.000 0.282 424 Y C 2.992 178.791 175.900 -0.168 0.000 1.152 424 Y CA 3.152 60.907 58.100 -0.574 0.000 1.136 424 Y CB -0.380 37.988 38.460 -0.153 0.000 0.975 424 Y HN 0.511 nan 8.280 nan 0.000 0.498 425 C N -0.988 118.337 119.300 0.041 0.000 2.435 425 C HA -0.094 4.367 4.460 0.002 0.000 0.279 425 C C 2.750 177.653 174.990 -0.143 0.000 1.321 425 C CA 0.845 59.843 59.018 -0.032 0.000 1.752 425 C CB -1.125 26.652 27.740 0.061 0.000 1.959 425 C HN 0.512 nan 8.230 nan 0.000 0.500 426 V N 1.392 121.224 119.914 -0.137 0.000 2.343 426 V HA -0.199 3.922 4.120 0.002 0.000 0.247 426 V C 2.015 178.096 176.094 -0.022 0.000 1.051 426 V CA 2.249 64.514 62.300 -0.058 0.000 1.036 426 V CB -0.637 31.177 31.823 -0.014 0.000 0.654 426 V HN 0.460 nan 8.190 nan 0.000 0.451 427 D N -0.258 120.120 120.400 -0.036 0.000 2.149 427 D HA -0.087 4.554 4.640 0.002 0.000 0.201 427 D C 1.873 178.115 176.300 -0.097 0.000 0.972 427 D CA 0.721 54.733 54.000 0.020 0.000 0.835 427 D CB -0.308 40.585 40.800 0.155 0.000 0.966 427 D HN 0.321 nan 8.370 nan 0.000 0.476 428 L N 0.774 121.852 121.223 -0.241 0.000 2.131 428 L HA -0.029 4.312 4.340 0.002 0.000 0.210 428 L C 1.964 178.687 176.870 -0.245 0.000 1.092 428 L CA 1.318 55.977 54.840 -0.303 0.000 0.759 428 L CB -0.718 41.055 42.059 -0.476 0.000 0.903 428 L HN -0.030 nan 8.230 nan 0.000 0.435 429 A N -0.468 122.203 122.820 -0.249 0.000 1.873 429 A HA -0.072 4.249 4.320 0.002 0.000 0.215 429 A C 2.472 179.813 177.584 -0.405 0.000 1.186 429 A CA 1.717 53.528 52.037 -0.376 0.000 0.616 429 A CB -1.188 17.541 19.000 -0.452 0.000 0.823 429 A HN 0.529 nan 8.150 nan 0.000 0.442 430 A N -0.468 122.259 122.820 -0.154 0.000 1.940 430 A HA -0.166 4.155 4.320 0.002 0.000 0.219 430 A C 1.959 179.516 177.584 -0.044 0.000 1.176 430 A CA 1.766 53.815 52.037 0.021 0.000 0.631 430 A CB -0.426 18.647 19.000 0.121 0.000 0.814 430 A HN 0.491 nan 8.150 nan 0.000 0.446 431 E N -0.077 120.097 120.200 -0.044 0.000 2.047 431 E HA -0.135 4.216 4.350 0.002 0.000 0.191 431 E C 2.071 178.708 176.600 0.063 0.000 0.987 431 E CA 0.918 57.337 56.400 0.033 0.000 0.799 431 E CB -0.385 29.324 29.700 0.015 0.000 0.752 431 E HN 0.545 nan 8.360 nan 0.000 0.449 432 I N 1.191 121.728 120.570 -0.056 0.000 2.226 432 I HA -0.208 3.963 4.170 0.002 0.000 0.245 432 I C 2.390 178.445 176.117 -0.103 0.000 1.100 432 I CA 1.086 62.368 61.300 -0.030 0.000 1.374 432 I CB -1.390 36.585 38.000 -0.042 0.000 1.057 432 I HN -0.052 nan 8.210 nan 0.000 0.413 433 A N 0.870 123.454 122.820 -0.393 0.000 2.015 433 A HA -0.183 4.138 4.320 0.002 0.000 0.219 433 A C 2.589 179.856 177.584 -0.528 0.000 1.163 433 A CA 2.199 53.629 52.037 -1.012 0.000 0.646 433 A CB -0.694 17.785 19.000 -0.869 0.000 0.806 433 A HN 0.452 nan 8.150 nan 0.000 0.448 434 K N -0.947 119.315 120.400 -0.230 0.000 2.116 434 K HA -0.097 4.224 4.320 0.002 0.000 0.203 434 K C 1.845 178.328 176.600 -0.195 0.000 1.052 434 K CA 1.419 57.593 56.287 -0.188 0.000 0.952 434 K CB -1.001 31.398 32.500 -0.168 0.000 0.729 434 K HN 0.802 nan 8.250 nan 0.000 0.446 435 H N -1.379 117.647 119.070 -0.073 0.000 2.512 435 H HA 0.073 4.630 4.556 0.002 0.000 0.279 435 H C 1.604 176.942 175.328 0.016 0.000 0.999 435 H CA 1.174 57.210 56.048 -0.020 0.000 1.283 435 H CB 0.215 29.973 29.762 -0.007 0.000 1.421 435 H HN 0.509 nan 8.280 nan 0.000 0.554 436 C N -0.200 119.180 119.300 0.134 0.000 2.912 436 C HA 0.292 4.753 4.460 0.002 0.000 0.274 436 C C 1.296 176.418 174.990 0.221 0.000 1.248 436 C CA 0.452 59.604 59.018 0.224 0.000 1.694 436 C CB -0.268 27.740 27.740 0.446 0.000 2.024 436 C HN 0.741 nan 8.230 nan 0.000 0.605 437 G N 2.232 111.060 108.800 0.048 0.000 2.438 437 G HA2 -0.142 3.819 3.960 0.002 0.000 0.272 437 G HA3 -0.142 3.819 3.960 0.002 0.000 0.272 437 G C -0.589 174.418 174.900 0.178 0.000 0.991 437 G CA 0.464 45.587 45.100 0.038 0.000 1.348 437 G HN 1.034 nan 8.290 nan 0.000 0.483 438 F N -2.212 117.774 119.950 0.060 0.000 2.708 438 F HA 0.853 5.381 4.527 0.002 0.000 0.309 438 F C -0.389 175.486 175.800 0.124 0.000 1.120 438 F CA -1.152 56.892 58.000 0.073 0.000 0.978 438 F CB 0.252 39.290 39.000 0.063 0.000 1.283 438 F HN 0.643 nan 8.300 nan 0.000 0.439 439 K N 1.350 121.927 120.400 0.295 0.000 2.118 439 K HA 0.751 5.072 4.320 0.002 0.000 0.264 439 K C -1.556 175.283 176.600 0.399 0.000 1.000 439 K CA 0.159 56.559 56.287 0.187 0.000 0.929 439 K CB 0.719 33.259 32.500 0.067 0.000 1.021 439 K HN 1.290 nan 8.250 nan 0.000 0.463 440 Y N -3.154 117.245 120.300 0.165 0.000 2.615 440 Y HA 0.774 5.325 4.550 0.001 0.000 0.341 440 Y C -0.268 175.688 175.900 0.093 0.000 1.089 440 Y CA -1.166 57.043 58.100 0.182 0.000 1.049 440 Y CB 1.125 39.747 38.460 0.269 0.000 1.296 440 Y HN 0.660 nan 8.280 nan 0.000 0.470 441 K N 2.699 123.230 120.400 0.218 0.000 2.559 441 K HA 0.612 4.933 4.320 0.002 0.000 0.249 441 K C -1.359 175.342 176.600 0.168 0.000 0.958 441 K CA -0.690 55.666 56.287 0.114 0.000 0.901 441 K CB 0.626 33.166 32.500 0.068 0.000 1.124 441 K HN 0.865 nan 8.250 nan 0.000 0.437 442 L N 3.067 124.401 121.223 0.185 0.000 2.534 442 L HA 0.305 4.646 4.340 0.002 0.000 0.271 442 L C 0.859 177.705 176.870 -0.039 0.000 1.178 442 L CA -0.029 54.852 54.840 0.068 0.000 0.907 442 L CB 0.729 42.802 42.059 0.024 0.000 1.164 442 L HN 0.906 nan 8.230 nan 0.000 0.482 443 T N 1.142 115.641 114.554 -0.093 0.000 2.886 443 T HA 0.564 4.915 4.350 0.002 0.000 0.292 443 T C -0.366 174.246 174.700 -0.148 0.000 1.012 443 T CA -0.921 61.129 62.100 -0.083 0.000 0.982 443 T CB 1.902 70.758 68.868 -0.019 0.000 1.018 443 T HN 0.130 nan 8.240 nan 0.000 0.451 444 I N 3.199 123.690 120.570 -0.131 0.000 2.395 444 I HA 0.250 4.421 4.170 0.002 0.000 0.289 444 I C 1.081 177.154 176.117 -0.073 0.000 1.023 444 I CA -1.066 60.159 61.300 -0.126 0.000 1.350 444 I CB 1.212 39.164 38.000 -0.081 0.000 1.409 444 I HN 0.674 nan 8.210 nan 0.000 0.507 445 V N 7.365 127.228 119.914 -0.086 0.000 2.788 445 V HA 0.154 4.275 4.120 0.002 0.000 0.307 445 V C 1.496 177.566 176.094 -0.040 0.000 1.069 445 V CA 0.833 63.098 62.300 -0.059 0.000 1.173 445 V CB 1.130 32.908 31.823 -0.076 0.000 0.925 445 V HN 1.015 nan 8.190 nan 0.000 0.492 446 G N 4.681 113.471 108.800 -0.016 0.000 2.604 446 G HA2 -0.271 3.689 3.960 0.002 0.000 0.216 446 G HA3 -0.271 3.689 3.960 0.002 0.000 0.216 446 G C 0.916 175.809 174.900 -0.011 0.000 1.265 446 G CA 0.978 46.075 45.100 -0.006 0.000 0.804 446 G HN 1.021 nan 8.290 nan 0.000 0.579 447 D N 0.120 120.517 120.400 -0.004 0.000 2.351 447 D HA 0.133 4.774 4.640 0.002 0.000 0.216 447 D C 1.798 178.083 176.300 -0.024 0.000 0.968 447 D CA 1.130 55.128 54.000 -0.004 0.000 0.899 447 D CB -0.913 39.895 40.800 0.013 0.000 0.907 447 D HN 0.864 nan 8.370 nan 0.000 0.514 448 G N -0.819 107.949 108.800 -0.052 0.000 2.176 448 G HA2 -0.145 3.816 3.960 0.002 0.000 0.252 448 G HA3 -0.145 3.816 3.960 0.002 0.000 0.252 448 G C 0.383 175.195 174.900 -0.146 0.000 1.024 448 G CA 0.739 45.778 45.100 -0.100 0.000 0.755 448 G HN 0.868 nan 8.290 nan 0.000 0.507 449 K N -1.362 118.973 120.400 -0.109 0.000 2.211 449 K HA 0.888 5.209 4.320 0.002 0.000 0.237 449 K C 0.729 177.244 176.600 -0.141 0.000 1.002 449 K CA -0.026 56.209 56.287 -0.086 0.000 0.885 449 K CB 0.679 33.200 32.500 0.035 0.000 1.136 449 K HN 0.186 nan 8.250 nan 0.000 0.448 450 Y N 0.152 120.480 120.300 0.046 0.000 2.226 450 Y HA 0.351 4.902 4.550 0.002 0.000 0.275 450 Y C 1.550 177.508 175.900 0.096 0.000 1.087 450 Y CA 1.284 59.414 58.100 0.050 0.000 1.086 450 Y CB 0.738 39.225 38.460 0.045 0.000 1.026 450 Y HN 0.744 nan 8.280 nan 0.000 0.484 451 G N -0.484 108.515 108.800 0.333 0.000 3.411 451 G HA2 0.547 4.508 3.960 0.002 0.000 0.298 451 G HA3 0.547 4.508 3.960 0.002 0.000 0.298 451 G C -1.520 173.616 174.900 0.394 0.000 3.379 451 G CA 0.047 45.354 45.100 0.345 0.000 0.608 451 G HN 0.441 nan 8.290 nan 0.000 0.292 452 A N 1.911 124.915 122.820 0.305 0.000 2.344 452 A HA 0.991 5.312 4.320 0.002 0.000 0.307 452 A C -0.139 177.376 177.584 -0.115 0.000 1.151 452 A CA -1.048 51.066 52.037 0.128 0.000 0.842 452 A CB 1.735 20.775 19.000 0.066 0.000 1.350 452 A HN 0.710 nan 8.150 nan 0.000 0.459 453 R N 0.916 121.194 120.500 -0.370 0.000 2.468 453 R HA 0.226 4.567 4.340 0.002 0.000 0.302 453 R C -1.499 174.599 176.300 -0.337 0.000 1.041 453 R CA -0.533 55.178 56.100 -0.649 0.000 0.899 453 R CB 0.835 30.408 30.300 -1.213 0.000 1.167 453 R HN 0.826 nan 8.270 nan 0.000 0.483 454 D N 3.499 123.766 120.400 -0.221 0.000 2.472 454 D HA -0.014 4.627 4.640 0.002 0.000 0.248 454 D C 1.013 177.229 176.300 -0.140 0.000 1.174 454 D CA 0.500 54.420 54.000 -0.132 0.000 0.883 454 D CB 1.489 42.240 40.800 -0.081 0.000 1.149 454 D HN 0.653 nan 8.370 nan 0.000 0.488 455 A N 4.840 127.595 122.820 -0.108 0.000 1.883 455 A HA -0.236 4.085 4.320 0.002 0.000 0.217 455 A C 1.728 179.270 177.584 -0.070 0.000 1.186 455 A CA 1.645 53.627 52.037 -0.091 0.000 0.624 455 A CB -0.220 18.740 19.000 -0.066 0.000 0.822 455 A HN 0.627 nan 8.150 nan 0.000 0.444 456 D N -0.446 119.921 120.400 -0.055 0.000 2.083 456 D HA -0.110 4.531 4.640 0.002 0.000 0.199 456 D C 2.349 178.625 176.300 -0.039 0.000 0.980 456 D CA 2.541 56.517 54.000 -0.040 0.000 0.851 456 D CB -1.102 39.680 40.800 -0.031 0.000 0.997 456 D HN 0.567 nan 8.370 nan 0.000 0.449 457 T N -2.134 112.395 114.554 -0.041 0.000 3.007 457 T HA 0.016 4.367 4.350 0.002 0.000 0.270 457 T C 1.335 176.013 174.700 -0.037 0.000 1.107 457 T CA 2.153 64.233 62.100 -0.034 0.000 1.118 457 T CB -0.658 68.192 68.868 -0.031 0.000 0.889 457 T HN 0.403 nan 8.240 nan 0.000 0.506 458 K N 0.209 120.567 120.400 -0.070 0.000 3.069 458 K HA -0.134 4.187 4.320 0.002 0.000 0.267 458 K C 0.164 176.715 176.600 -0.083 0.000 1.082 458 K CA 1.519 57.747 56.287 -0.099 0.000 0.782 458 K CB -2.965 29.510 32.500 -0.042 0.000 1.230 458 K HN 0.814 nan 8.250 nan 0.000 0.488 459 I N -0.674 119.852 120.570 -0.073 0.000 2.412 459 I HA 0.576 4.747 4.170 0.002 0.000 0.296 459 I C 0.669 176.803 176.117 0.029 0.000 0.987 459 I CA -1.233 60.102 61.300 0.060 0.000 1.180 459 I CB 1.464 39.492 38.000 0.046 0.000 1.340 459 I HN 0.363 nan 8.210 nan 0.000 0.455 460 W N 5.720 127.182 121.300 0.269 0.000 2.261 460 W HA 0.239 4.900 4.660 0.002 0.000 0.323 460 W C 0.341 176.990 176.519 0.216 0.000 1.243 460 W CA -0.038 57.415 57.345 0.180 0.000 1.210 460 W CB 0.567 30.058 29.460 0.052 0.000 1.149 460 W HN 0.496 nan 8.180 nan 0.000 0.562 461 N N 1.344 120.263 118.700 0.365 0.000 2.453 461 N HA 0.766 5.507 4.740 0.002 0.000 0.290 461 N C 0.327 175.963 175.510 0.211 0.000 1.250 461 N CA -0.050 53.145 53.050 0.241 0.000 0.815 461 N CB 0.916 39.487 38.487 0.140 0.000 1.381 461 N HN 0.728 nan 8.380 nan 0.000 0.510 462 G N -0.126 108.753 108.800 0.131 0.000 2.562 462 G HA2 -0.304 3.657 3.960 0.002 0.000 0.250 462 G HA3 -0.304 3.657 3.960 0.002 0.000 0.250 462 G C 0.666 175.604 174.900 0.063 0.000 1.269 462 G CA 0.486 45.631 45.100 0.075 0.000 0.919 462 G HN 0.636 nan 8.290 nan 0.000 0.574 463 M N -0.633 118.984 119.600 0.028 0.000 2.086 463 M HA -0.081 4.400 4.480 0.002 0.000 0.261 463 M C 2.819 179.107 176.300 -0.020 0.000 1.067 463 M CA 2.167 57.465 55.300 -0.004 0.000 1.116 463 M CB -0.656 31.936 32.600 -0.014 0.000 1.348 463 M HN 0.378 nan 8.290 nan 0.000 0.407 464 V N 0.599 120.517 119.914 0.007 0.000 2.453 464 V HA -0.241 3.880 4.120 0.002 0.000 0.252 464 V C 2.515 178.511 176.094 -0.164 0.000 1.068 464 V CA 2.170 64.406 62.300 -0.107 0.000 1.070 464 V CB -1.701 30.094 31.823 -0.046 0.000 0.664 464 V HN 0.671 nan 8.190 nan 0.000 0.461 465 G N -0.605 108.217 108.800 0.037 0.000 2.414 465 G HA2 -0.198 3.763 3.960 0.002 0.000 0.215 465 G HA3 -0.198 3.763 3.960 0.002 0.000 0.215 465 G C 1.402 176.321 174.900 0.032 0.000 1.188 465 G CA 0.614 45.776 45.100 0.103 0.000 0.783 465 G HN 0.555 nan 8.290 nan 0.000 0.537 466 E N 0.017 120.258 120.200 0.068 0.000 2.331 466 E HA -0.025 4.326 4.350 0.002 0.000 0.199 466 E C 2.404 178.981 176.600 -0.039 0.000 1.008 466 E CA 0.209 56.642 56.400 0.055 0.000 0.843 466 E CB -0.083 29.634 29.700 0.027 0.000 0.761 466 E HN 0.417 nan 8.360 nan 0.000 0.507 467 L N -0.142 120.999 121.223 -0.136 0.000 2.102 467 L HA -0.093 4.248 4.340 0.002 0.000 0.202 467 L C 2.315 179.031 176.870 -0.257 0.000 1.076 467 L CA 0.479 55.202 54.840 -0.194 0.000 0.761 467 L CB -0.110 41.801 42.059 -0.246 0.000 0.921 467 L HN 0.012 nan 8.230 nan 0.000 0.444 468 V N -1.237 118.421 119.914 -0.426 0.000 2.626 468 V HA -0.243 3.878 4.120 0.002 0.000 0.252 468 V C 1.389 177.215 176.094 -0.446 0.000 1.067 468 V CA 1.400 63.367 62.300 -0.554 0.000 1.081 468 V CB -0.632 30.663 31.823 -0.879 0.000 0.686 468 V HN 0.378 nan 8.190 nan 0.000 0.468 469 Y N 0.220 120.499 120.300 -0.036 0.000 2.524 469 Y HA 0.533 5.084 4.550 0.002 0.000 0.266 469 Y C 1.807 177.694 175.900 -0.021 0.000 1.180 469 Y CA -0.330 57.764 58.100 -0.011 0.000 1.244 469 Y CB -0.206 38.263 38.460 0.015 0.000 1.125 469 Y HN 0.252 nan 8.280 nan 0.000 0.524 470 G N -0.104 108.720 108.800 0.040 0.000 2.153 470 G HA2 -0.428 3.533 3.960 0.002 0.000 0.252 470 G HA3 -0.428 3.533 3.960 0.002 0.000 0.252 470 G C 1.315 176.227 174.900 0.020 0.000 0.994 470 G CA 0.797 45.904 45.100 0.013 0.000 0.698 470 G HN 0.522 nan 8.290 nan 0.000 0.521 471 K N -1.394 119.028 120.400 0.037 0.000 2.167 471 K HA 0.741 5.062 4.320 0.002 0.000 0.203 471 K C 1.404 178.004 176.600 -0.000 0.000 1.052 471 K CA 2.233 58.538 56.287 0.029 0.000 0.956 471 K CB 0.050 32.581 32.500 0.052 0.000 0.735 471 K HN 2.174 nan 8.250 nan 0.000 0.451 472 A N 0.073 122.879 122.820 -0.024 0.000 2.479 472 A HA 0.597 4.918 4.320 0.002 0.000 0.296 472 A C -0.617 176.925 177.584 -0.071 0.000 1.121 472 A CA -0.115 51.896 52.037 -0.043 0.000 0.743 472 A CB 1.347 20.317 19.000 -0.049 0.000 1.323 472 A HN 0.082 nan 8.150 nan 0.000 0.415 473 D N -0.332 120.019 120.400 -0.082 0.000 2.355 473 D HA 0.261 4.902 4.640 0.002 0.000 0.206 473 D C 0.055 176.266 176.300 -0.147 0.000 1.010 473 D CA 1.066 54.996 54.000 -0.117 0.000 0.875 473 D CB 0.715 41.437 40.800 -0.131 0.000 0.966 473 D HN 0.442 nan 8.370 nan 0.000 0.512 474 I N -0.447 120.043 120.570 -0.133 0.000 2.882 474 I HA 0.452 4.623 4.170 0.002 0.000 0.298 474 I C -2.007 174.040 176.117 -0.116 0.000 1.462 474 I CA -0.924 60.291 61.300 -0.142 0.000 1.000 474 I CB 2.061 39.965 38.000 -0.159 0.000 1.340 474 I HN -0.198 nan 8.210 nan 0.000 0.462 475 A N 7.793 130.542 122.820 -0.118 0.000 2.323 475 A HA 0.710 5.031 4.320 0.002 0.000 0.305 475 A C -1.002 176.544 177.584 -0.063 0.000 1.275 475 A CA -0.373 51.611 52.037 -0.089 0.000 0.804 475 A CB 0.376 19.323 19.000 -0.089 0.000 1.152 475 A HN 0.530 nan 8.150 nan 0.000 0.487 476 I N 2.845 123.367 120.570 -0.079 0.000 2.412 476 I HA 0.577 4.748 4.170 0.002 0.000 0.279 476 I C 0.372 176.446 176.117 -0.071 0.000 1.063 476 I CA 0.138 61.378 61.300 -0.099 0.000 1.193 476 I CB 0.879 38.780 38.000 -0.165 0.000 1.370 476 I HN 0.740 nan 8.210 nan 0.000 0.479 477 A N 6.852 129.676 122.820 0.006 0.000 2.536 477 A HA 0.707 5.028 4.320 0.002 0.000 0.293 477 A C -2.759 174.842 177.584 0.028 0.000 1.119 477 A CA -1.082 50.955 52.037 0.000 0.000 0.654 477 A CB 1.057 20.042 19.000 -0.025 0.000 1.291 477 A HN 0.302 nan 8.150 nan 0.000 0.439 478 P HA 0.254 nan 4.420 nan 0.000 0.232 478 P C -0.659 176.271 177.300 -0.617 0.000 1.738 478 P CA 0.112 62.624 63.100 -0.980 0.000 0.948 478 P CB -0.481 30.243 31.700 -1.626 0.000 1.943 479 L N 1.357 122.566 121.223 -0.022 0.000 2.278 479 L HA 0.231 4.572 4.340 0.002 0.000 0.287 479 L C 0.233 177.242 176.870 0.232 0.000 1.072 479 L CA 0.342 55.290 54.840 0.180 0.000 0.819 479 L CB 0.077 42.347 42.059 0.353 0.000 1.176 479 L HN -0.009 nan 8.230 nan 0.000 0.435 480 T N 6.365 120.987 114.554 0.113 0.000 2.916 480 T HA 0.254 4.605 4.350 0.002 0.000 0.303 480 T C 0.619 175.093 174.700 -0.376 0.000 1.025 480 T CA 0.085 62.155 62.100 -0.050 0.000 1.142 480 T CB 0.104 68.906 68.868 -0.109 0.000 0.947 480 T HN 0.396 nan 8.240 nan 0.000 0.544 481 I N 4.582 124.795 120.570 -0.595 0.000 2.311 481 I HA 0.157 4.328 4.170 0.002 0.000 0.297 481 I C 1.149 176.937 176.117 -0.548 0.000 1.131 481 I CA -0.386 60.302 61.300 -1.019 0.000 1.289 481 I CB -0.360 37.180 38.000 -0.767 0.000 1.446 481 I HN 0.690 nan 8.210 nan 0.000 0.524 482 T N 2.143 116.450 114.554 -0.413 0.000 2.940 482 T HA 0.308 4.659 4.350 0.002 0.000 0.288 482 T C 0.717 175.380 174.700 -0.062 0.000 1.033 482 T CA -0.880 61.122 62.100 -0.163 0.000 1.033 482 T CB 2.346 71.178 68.868 -0.060 0.000 1.079 482 T HN 0.337 nan 8.240 nan 0.000 0.496 483 L N 2.948 124.155 121.223 -0.027 0.000 2.046 483 L HA -0.033 4.308 4.340 0.002 0.000 0.208 483 L C 2.592 179.510 176.870 0.080 0.000 1.077 483 L CA 2.350 57.200 54.840 0.017 0.000 0.747 483 L CB -1.022 41.040 42.059 0.005 0.000 0.896 483 L HN 0.780 nan 8.230 nan 0.000 0.432 484 V N -2.566 117.417 119.914 0.114 0.000 2.594 484 V HA -0.208 3.913 4.120 0.002 0.000 0.253 484 V C 2.464 178.754 176.094 0.327 0.000 1.069 484 V CA 1.929 64.359 62.300 0.218 0.000 1.082 484 V CB -0.981 30.976 31.823 0.222 0.000 0.680 484 V HN 0.507 nan 8.190 nan 0.000 0.469 485 R N 0.102 120.746 120.500 0.241 0.000 2.128 485 R HA 0.101 4.442 4.340 0.002 0.000 0.211 485 R C 2.297 178.681 176.300 0.141 0.000 1.067 485 R CA 0.885 57.082 56.100 0.161 0.000 1.010 485 R CB -0.260 30.247 30.300 0.345 0.000 0.922 485 R HN 0.536 nan 8.270 nan 0.000 0.457 486 E N 1.607 121.939 120.200 0.220 0.000 2.333 486 E HA -0.181 4.169 4.350 0.002 0.000 0.198 486 E C 1.127 177.766 176.600 0.065 0.000 1.007 486 E CA 1.252 57.769 56.400 0.195 0.000 0.845 486 E CB 0.133 29.921 29.700 0.147 0.000 0.766 486 E HN 0.335 nan 8.360 nan 0.000 0.507 487 E N -0.917 119.314 120.200 0.051 0.000 2.158 487 E HA -0.093 4.258 4.350 0.002 0.000 0.191 487 E C 1.973 178.556 176.600 -0.029 0.000 0.982 487 E CA 1.236 57.654 56.400 0.031 0.000 0.823 487 E CB 0.272 30.020 29.700 0.080 0.000 0.766 487 E HN 0.374 nan 8.360 nan 0.000 0.468 488 V N -0.828 119.015 119.914 -0.119 0.000 3.085 488 V HA 0.208 4.329 4.120 0.002 0.000 0.245 488 V C 1.104 177.017 176.094 -0.302 0.000 1.114 488 V CA 0.040 62.191 62.300 -0.250 0.000 1.108 488 V CB -0.371 31.136 31.823 -0.525 0.000 0.798 488 V HN 0.145 nan 8.190 nan 0.000 0.471 489 I N -2.206 118.180 120.570 -0.307 0.000 3.445 489 I HA 0.744 4.915 4.170 0.002 0.000 0.303 489 I C -1.509 174.450 176.117 -0.262 0.000 1.129 489 I CA -0.909 60.190 61.300 -0.335 0.000 0.989 489 I CB 2.061 39.769 38.000 -0.488 0.000 1.314 489 I HN -0.143 nan 8.210 nan 0.000 0.488 490 D N 1.444 121.659 120.400 -0.308 0.000 2.278 490 D HA 0.503 5.144 4.640 0.002 0.000 0.245 490 D C -1.424 174.696 176.300 -0.300 0.000 1.052 490 D CA 0.188 54.069 54.000 -0.198 0.000 0.834 490 D CB 1.829 42.552 40.800 -0.129 0.000 1.194 490 D HN 0.283 nan 8.370 nan 0.000 0.481 491 F N 1.264 121.194 119.950 -0.034 0.000 2.427 491 F HA 0.228 4.756 4.527 0.002 0.000 0.346 491 F C 1.240 177.044 175.800 0.008 0.000 1.120 491 F CA -0.757 57.238 58.000 -0.008 0.000 1.033 491 F CB 1.268 40.263 39.000 -0.007 0.000 1.126 491 F HN 0.130 nan 8.300 nan 0.000 0.462 492 S N 3.221 119.044 115.700 0.205 0.000 2.596 492 S HA 0.294 4.765 4.470 0.002 0.000 0.260 492 S C 0.132 174.833 174.600 0.170 0.000 1.336 492 S CA -1.076 57.215 58.200 0.151 0.000 0.993 492 S CB 0.531 63.810 63.200 0.131 0.000 0.923 492 S HN 0.383 nan 8.310 nan 0.000 0.567 493 K N 1.407 121.876 120.400 0.115 0.000 2.440 493 K HA 0.190 4.510 4.320 0.002 0.000 0.270 493 K C -2.510 174.158 176.600 0.113 0.000 0.980 493 K CA -1.448 54.889 56.287 0.084 0.000 0.953 493 K CB -0.707 31.827 32.500 0.058 0.000 0.925 493 K HN 0.472 nan 8.250 nan 0.000 0.497 494 P HA -0.031 nan 4.420 nan 0.000 0.264 494 P C 0.134 177.461 177.300 0.046 0.000 1.193 494 P CA 0.167 63.247 63.100 -0.033 0.000 0.763 494 P CB 0.013 31.633 31.700 -0.133 0.000 0.810 495 F N 1.689 121.697 119.950 0.097 0.000 2.727 495 F HA 0.520 5.048 4.527 0.002 0.000 0.302 495 F C 0.361 176.250 175.800 0.147 0.000 1.097 495 F CA -0.366 57.713 58.000 0.132 0.000 1.330 495 F CB 0.140 39.251 39.000 0.186 0.000 1.084 495 F HN 0.121 nan 8.300 nan 0.000 0.578 496 M N 1.271 120.673 119.600 -0.329 0.000 2.437 496 M HA 0.291 4.772 4.480 0.002 0.000 0.203 496 M C -1.668 174.410 176.300 -0.370 0.000 0.957 496 M CA -0.028 55.109 55.300 -0.271 0.000 0.872 496 M CB 1.114 33.573 32.600 -0.235 0.000 2.556 496 M HN -0.076 nan 8.290 nan 0.000 0.428 497 S N 5.457 120.996 115.700 -0.268 0.000 2.545 497 S HA 0.800 5.271 4.470 0.002 0.000 0.275 497 S C -0.293 174.124 174.600 -0.307 0.000 1.299 497 S CA -0.619 57.407 58.200 -0.291 0.000 1.048 497 S CB 0.804 63.885 63.200 -0.197 0.000 0.938 497 S HN 0.647 nan 8.310 nan 0.000 0.496 498 L N 0.433 121.434 121.223 -0.369 0.000 2.441 498 L HA 1.098 5.439 4.340 0.002 0.000 0.240 498 L C -0.032 176.658 176.870 -0.300 0.000 1.145 498 L CA -0.958 53.689 54.840 -0.322 0.000 1.025 498 L CB 1.006 42.834 42.059 -0.385 0.000 1.585 498 L HN 0.731 nan 8.230 nan 0.000 0.410 499 G N -0.583 108.056 108.800 -0.269 0.000 2.341 499 G HA2 0.392 4.353 3.960 0.002 0.000 0.299 499 G HA3 0.392 4.353 3.960 0.002 0.000 0.299 499 G C -1.905 172.844 174.900 -0.251 0.000 1.274 499 G CA -0.861 44.066 45.100 -0.288 0.000 0.853 499 G HN 0.632 nan 8.290 nan 0.000 0.493 500 I N 1.966 122.351 120.570 -0.309 0.000 2.342 500 I HA 0.450 4.621 4.170 0.002 0.000 0.291 500 I C 0.756 176.806 176.117 -0.112 0.000 1.010 500 I CA -0.360 60.798 61.300 -0.235 0.000 1.308 500 I CB 1.441 39.220 38.000 -0.368 0.000 1.400 500 I HN 0.631 nan 8.210 nan 0.000 0.488 501 S N 6.557 122.225 115.700 -0.054 0.000 2.751 501 S HA 0.751 5.222 4.470 0.002 0.000 0.310 501 S C -0.614 173.987 174.600 0.002 0.000 1.128 501 S CA -0.910 57.283 58.200 -0.011 0.000 0.931 501 S CB 2.028 65.228 63.200 0.001 0.000 1.177 501 S HN 0.424 nan 8.310 nan 0.000 0.530 502 I N 1.148 121.724 120.570 0.010 0.000 2.404 502 I HA 0.434 4.605 4.170 0.002 0.000 0.293 502 I C -0.488 175.640 176.117 0.018 0.000 0.992 502 I CA -0.546 60.752 61.300 -0.004 0.000 1.149 502 I CB 1.826 39.813 38.000 -0.020 0.000 1.315 502 I HN 0.593 nan 8.210 nan 0.000 0.446 503 M N 8.262 127.880 119.600 0.031 0.000 2.181 503 M HA 0.615 5.096 4.480 0.002 0.000 0.323 503 M C -1.216 175.120 176.300 0.059 0.000 1.004 503 M CA -0.525 54.822 55.300 0.078 0.000 0.941 503 M CB 1.543 34.239 32.600 0.160 0.000 1.579 503 M HN 0.660 nan 8.290 nan 0.000 0.427 504 I N 0.081 120.682 120.570 0.052 0.000 3.108 504 I HA 0.779 4.950 4.170 0.002 0.000 0.312 504 I C -0.394 175.759 176.117 0.060 0.000 1.095 504 I CA -1.060 60.266 61.300 0.044 0.000 1.000 504 I CB 1.655 39.669 38.000 0.024 0.000 1.229 504 I HN 0.641 nan 8.210 nan 0.000 0.454 505 K N 1.896 122.332 120.400 0.061 0.000 2.270 505 K HA 0.585 4.906 4.320 0.002 0.000 0.276 505 K C 0.183 176.811 176.600 0.048 0.000 1.023 505 K CA -0.006 56.318 56.287 0.060 0.000 0.955 505 K CB -0.001 32.538 32.500 0.065 0.000 0.975 505 K HN 0.953 nan 8.250 nan 0.000 0.471 506 K N 3.606 124.034 120.400 0.046 0.000 2.430 506 K HA 0.264 4.585 4.320 0.002 0.000 0.280 506 K C -2.072 174.549 176.600 0.035 0.000 1.063 506 K CA -0.964 55.347 56.287 0.040 0.000 1.071 506 K CB -0.844 31.679 32.500 0.038 0.000 0.899 506 K HN 0.680 nan 8.250 nan 0.000 0.473 507 P HA 0.128 nan 4.420 nan 0.000 0.257 507 P C 0.161 177.477 177.300 0.026 0.000 1.269 507 P CA 0.592 63.708 63.100 0.027 0.000 1.122 507 P CB 0.399 32.113 31.700 0.023 0.000 1.285 508 Q N 0.988 120.804 119.800 0.027 0.000 2.286 508 Q HA 0.360 4.701 4.340 0.002 0.000 0.281 508 Q C 0.857 176.871 176.000 0.023 0.000 0.897 508 Q CA -0.266 55.552 55.803 0.025 0.000 1.023 508 Q CB -0.673 28.080 28.738 0.025 0.000 1.151 508 Q HN 0.455 nan 8.270 nan 0.000 0.445 509 K N 0.616 121.029 120.400 0.021 0.000 2.382 509 K HA 0.611 4.932 4.320 0.002 0.000 0.286 509 K C 0.412 177.021 176.600 0.016 0.000 1.062 509 K CA 0.372 56.670 56.287 0.019 0.000 1.000 509 K CB -0.219 32.292 32.500 0.017 0.000 0.954 509 K HN 1.179 nan 8.250 nan 0.000 0.470 510 S N 1.235 116.945 115.700 0.017 0.000 2.300 510 S HA 0.562 5.033 4.470 0.002 0.000 0.172 510 S C 0.527 175.137 174.600 0.017 0.000 1.484 510 S CA 0.007 58.217 58.200 0.016 0.000 1.265 510 S CB -0.166 63.045 63.200 0.018 0.000 1.313 510 S HN 1.104 nan 8.310 nan 0.000 0.387 511 K N 1.123 121.534 120.400 0.017 0.000 2.098 511 K HA 0.836 5.157 4.320 0.002 0.000 0.244 511 K C -1.477 175.133 176.600 0.017 0.000 1.014 511 K CA -0.944 55.353 56.287 0.017 0.000 0.917 511 K CB -1.206 31.306 32.500 0.022 0.000 1.072 511 K HN 0.327 nan 8.250 nan 0.000 0.477 512 P HA 0.087 nan 4.420 nan 0.000 0.199 512 P C 0.368 177.671 177.300 0.006 0.000 1.146 512 P CA 1.258 64.360 63.100 0.004 0.000 0.905 512 P CB -0.464 31.228 31.700 -0.014 0.000 0.737 513 G N -0.480 108.309 108.800 -0.018 0.000 2.675 513 G HA2 -0.149 3.812 3.960 0.002 0.000 0.196 513 G HA3 -0.149 3.812 3.960 0.002 0.000 0.196 513 G C 0.588 175.457 174.900 -0.053 0.000 0.679 513 G CA 0.057 45.141 45.100 -0.027 0.000 0.886 513 G HN 0.197 nan 8.290 nan 0.000 0.320 514 V N 2.972 122.765 119.914 -0.202 0.000 3.140 514 V HA -0.123 3.998 4.120 0.002 0.000 0.269 514 V C 2.267 178.335 176.094 -0.044 0.000 1.149 514 V CA 1.719 63.920 62.300 -0.165 0.000 1.162 514 V CB -0.736 30.916 31.823 -0.285 0.000 0.756 514 V HN 0.639 nan 8.190 nan 0.000 0.523 515 F N 1.074 121.082 119.950 0.098 0.000 2.802 515 F HA 0.020 4.548 4.527 0.002 0.000 0.300 515 F C 2.320 178.171 175.800 0.086 0.000 1.168 515 F CA 0.660 58.730 58.000 0.117 0.000 1.433 515 F CB -0.751 38.316 39.000 0.111 0.000 1.115 515 F HN 0.309 nan 8.300 nan 0.000 0.582 516 S N -1.840 113.993 115.700 0.222 0.000 2.575 516 S HA -0.031 4.440 4.470 0.002 0.000 0.215 516 S C 1.503 176.222 174.600 0.199 0.000 0.966 516 S CA -0.090 58.185 58.200 0.126 0.000 0.911 516 S CB -0.831 62.409 63.200 0.067 0.000 0.780 516 S HN 0.352 nan 8.310 nan 0.000 0.514 517 F N 1.463 121.479 119.950 0.109 0.000 2.622 517 F HA 0.485 5.013 4.527 0.002 0.000 0.288 517 F C 1.285 177.206 175.800 0.201 0.000 1.120 517 F CA 0.016 58.112 58.000 0.161 0.000 1.423 517 F CB 0.177 39.239 39.000 0.104 0.000 1.127 517 F HN 0.105 nan 8.300 nan 0.000 0.588 518 L N -0.023 121.268 121.223 0.112 0.000 2.509 518 L HA 0.034 4.375 4.340 0.002 0.000 0.222 518 L C 1.294 178.071 176.870 -0.156 0.000 1.123 518 L CA 0.237 55.004 54.840 -0.121 0.000 0.856 518 L CB -0.503 41.445 42.059 -0.185 0.000 0.985 518 L HN 0.025 nan 8.230 nan 0.000 0.456 519 D N 0.348 120.753 120.400 0.008 0.000 2.110 519 D HA -0.051 4.590 4.640 0.002 0.000 0.202 519 D C -0.288 176.065 176.300 0.088 0.000 0.975 519 D CA 0.891 54.918 54.000 0.044 0.000 0.839 519 D CB -1.323 39.490 40.800 0.021 0.000 0.996 519 D HN 0.111 nan 8.370 nan 0.000 0.464 520 P HA -0.121 nan 4.420 nan 0.000 0.213 520 P C 0.547 177.831 177.300 -0.027 0.000 1.176 520 P CA 0.810 63.945 63.100 0.058 0.000 0.919 520 P CB 0.229 31.856 31.700 -0.122 0.000 0.791 521 L N -0.740 120.475 121.223 -0.013 0.000 2.257 521 L HA 0.511 4.852 4.340 0.002 0.000 0.290 521 L C -0.035 176.718 176.870 -0.195 0.000 1.044 521 L CA -1.149 53.528 54.840 -0.272 0.000 0.810 521 L CB 0.729 42.315 42.059 -0.789 0.000 1.193 521 L HN -0.059 nan 8.230 nan 0.000 0.425 522 A N 4.069 126.800 122.820 -0.149 0.000 2.520 522 A HA 0.017 4.338 4.320 0.002 0.000 0.235 522 A C 0.396 178.053 177.584 0.122 0.000 1.065 522 A CA 0.242 52.284 52.037 0.008 0.000 0.764 522 A CB 0.048 19.077 19.000 0.048 0.000 1.002 522 A HN 0.824 nan 8.150 nan 0.000 0.502 523 Y N 0.629 121.086 120.300 0.262 0.000 2.207 523 Y HA -0.215 4.336 4.550 0.002 0.000 0.287 523 Y C 2.176 178.225 175.900 0.249 0.000 1.156 523 Y CA 2.207 60.496 58.100 0.314 0.000 1.182 523 Y CB -0.338 38.236 38.460 0.191 0.000 0.979 523 Y HN 0.794 nan 8.280 nan 0.000 0.521 524 E N 0.048 120.437 120.200 0.315 0.000 2.150 524 E HA -0.123 4.228 4.350 0.002 0.000 0.193 524 E C 2.037 178.745 176.600 0.180 0.000 0.985 524 E CA 1.212 57.743 56.400 0.219 0.000 0.814 524 E CB -0.328 29.460 29.700 0.147 0.000 0.752 524 E HN 0.508 nan 8.360 nan 0.000 0.466 525 I N -1.182 119.441 120.570 0.088 0.000 2.406 525 I HA -0.145 4.026 4.170 0.002 0.000 0.249 525 I C 1.684 177.799 176.117 -0.003 0.000 1.122 525 I CA 0.724 62.010 61.300 -0.024 0.000 1.431 525 I CB -0.331 37.542 38.000 -0.211 0.000 1.087 525 I HN 0.176 nan 8.210 nan 0.000 0.424 526 W N 0.560 121.898 121.300 0.063 0.000 2.350 526 W HA -0.189 4.472 4.660 0.002 0.000 0.289 526 W C 2.623 179.203 176.519 0.101 0.000 1.215 526 W CA 0.501 57.875 57.345 0.048 0.000 1.236 526 W CB -0.234 29.233 29.460 0.011 0.000 1.130 526 W HN 0.047 nan 8.180 nan 0.000 0.541 527 M N -0.971 118.857 119.600 0.380 0.000 2.064 527 M HA -0.177 4.304 4.480 0.002 0.000 0.260 527 M C 2.020 178.612 176.300 0.487 0.000 1.073 527 M CA 1.371 56.893 55.300 0.371 0.000 1.124 527 M CB -1.850 31.023 32.600 0.455 0.000 1.326 527 M HN 0.025 nan 8.290 nan 0.000 0.410 528 C N 0.362 119.938 119.300 0.460 0.000 2.413 528 C HA -0.128 4.333 4.460 0.002 0.000 0.277 528 C C 2.818 178.057 174.990 0.416 0.000 1.265 528 C CA 0.469 59.758 59.018 0.450 0.000 1.752 528 C CB -1.103 26.796 27.740 0.266 0.000 1.998 528 C HN 0.541 nan 8.230 nan 0.000 0.489 529 I N 0.397 121.181 120.570 0.357 0.000 2.614 529 I HA -0.119 4.052 4.170 0.002 0.000 0.258 529 I C 2.021 178.401 176.117 0.437 0.000 1.189 529 I CA 1.270 62.821 61.300 0.419 0.000 1.462 529 I CB 0.088 38.247 38.000 0.265 0.000 1.092 529 I HN 0.156 nan 8.210 nan 0.000 0.442 530 V N 0.144 120.235 119.914 0.294 0.000 2.599 530 V HA -0.157 3.964 4.120 0.002 0.000 0.245 530 V C 1.960 178.133 176.094 0.131 0.000 1.046 530 V CA 1.321 63.707 62.300 0.144 0.000 1.065 530 V CB -0.508 31.270 31.823 -0.075 0.000 0.703 530 V HN 0.281 nan 8.190 nan 0.000 0.464 531 F N 1.001 121.074 119.950 0.204 0.000 2.146 531 F HA -0.112 4.415 4.527 0.002 0.000 0.298 531 F C 2.465 178.344 175.800 0.132 0.000 1.096 531 F CA 1.518 59.606 58.000 0.146 0.000 1.275 531 F CB -0.546 38.521 39.000 0.112 0.000 1.008 531 F HN 0.116 nan 8.300 nan 0.000 0.480 532 A N -1.189 121.842 122.820 0.352 0.000 2.014 532 A HA -0.201 4.120 4.320 0.002 0.000 0.218 532 A C 1.916 179.582 177.584 0.136 0.000 1.163 532 A CA 1.007 53.175 52.037 0.217 0.000 0.652 532 A CB -1.257 17.839 19.000 0.159 0.000 0.808 532 A HN 0.545 nan 8.150 nan 0.000 0.449 533 Y N 1.478 121.865 120.300 0.145 0.000 2.114 533 Y HA -0.222 4.329 4.550 0.002 0.000 0.284 533 Y C 2.027 177.791 175.900 -0.226 0.000 1.143 533 Y CA 2.221 60.284 58.100 -0.062 0.000 1.135 533 Y CB -0.242 38.324 38.460 0.175 0.000 0.980 533 Y HN 0.395 nan 8.280 nan 0.000 0.499 534 I N -1.797 118.817 120.570 0.074 0.000 2.830 534 I HA 0.111 4.282 4.170 0.002 0.000 0.263 534 I C 2.129 178.185 176.117 -0.102 0.000 1.230 534 I CA 1.322 62.594 61.300 -0.046 0.000 1.480 534 I CB -0.898 37.142 38.000 0.066 0.000 1.095 534 I HN 0.241 nan 8.210 nan 0.000 0.455 535 G N 1.167 109.927 108.800 -0.066 0.000 2.534 535 G HA2 -0.023 3.938 3.960 0.002 0.000 0.217 535 G HA3 -0.023 3.938 3.960 0.002 0.000 0.217 535 G C 1.473 176.281 174.900 -0.153 0.000 1.128 535 G CA 0.840 45.906 45.100 -0.056 0.000 0.784 535 G HN 0.356 nan 8.290 nan 0.000 0.542 536 V N 1.143 120.856 119.914 -0.336 0.000 2.795 536 V HA -0.052 4.069 4.120 0.002 0.000 0.243 536 V C 2.954 178.830 176.094 -0.363 0.000 1.069 536 V CA 1.665 63.717 62.300 -0.415 0.000 1.089 536 V CB 0.306 31.644 31.823 -0.809 0.000 0.756 536 V HN 0.511 nan 8.190 nan 0.000 0.471 537 S N -0.358 115.088 115.700 -0.424 0.000 2.474 537 S HA -0.088 4.383 4.470 0.002 0.000 0.235 537 S C 1.793 176.317 174.600 -0.126 0.000 0.997 537 S CA 1.399 59.417 58.200 -0.304 0.000 0.949 537 S CB 0.148 63.123 63.200 -0.374 0.000 0.766 537 S HN 0.324 nan 8.310 nan 0.000 0.517 538 V N 0.652 120.507 119.914 -0.098 0.000 2.825 538 V HA 0.091 4.212 4.120 0.002 0.000 0.246 538 V C 2.154 178.297 176.094 0.083 0.000 1.068 538 V CA 0.882 63.192 62.300 0.016 0.000 1.088 538 V CB 0.079 31.894 31.823 -0.013 0.000 0.733 538 V HN 0.432 nan 8.190 nan 0.000 0.468 539 V N 0.390 120.300 119.914 -0.006 0.000 2.358 539 V HA -0.188 3.933 4.120 0.002 0.000 0.246 539 V C 2.379 178.468 176.094 -0.009 0.000 1.047 539 V CA 2.254 64.549 62.300 -0.008 0.000 1.035 539 V CB -0.438 31.361 31.823 -0.040 0.000 0.658 539 V HN 0.483 nan 8.190 nan 0.000 0.452 540 L N -1.092 120.114 121.223 -0.029 0.000 2.141 540 L HA -0.158 4.183 4.340 0.002 0.000 0.209 540 L C 2.351 179.230 176.870 0.016 0.000 1.094 540 L CA 1.536 56.360 54.840 -0.027 0.000 0.763 540 L CB -0.613 41.410 42.059 -0.060 0.000 0.908 540 L HN 0.386 nan 8.230 nan 0.000 0.437 541 F N 0.683 120.583 119.950 -0.083 0.000 2.269 541 F HA -0.159 4.369 4.527 0.002 0.000 0.301 541 F C 1.902 177.673 175.800 -0.048 0.000 1.082 541 F CA 1.306 59.267 58.000 -0.064 0.000 1.360 541 F CB -0.083 38.878 39.000 -0.065 0.000 1.041 541 F HN -0.079 nan 8.300 nan 0.000 0.512 542 L N -0.947 120.189 121.223 -0.145 0.000 2.492 542 L HA -0.039 4.302 4.340 0.002 0.000 0.223 542 L C 2.019 178.779 176.870 -0.182 0.000 1.132 542 L CA -0.023 54.688 54.840 -0.215 0.000 0.850 542 L CB -0.404 41.616 42.059 -0.064 0.000 0.966 542 L HN 0.013 nan 8.230 nan 0.000 0.454 543 V N -0.764 119.067 119.914 -0.140 0.000 2.302 543 V HA -0.126 3.995 4.120 0.002 0.000 0.243 543 V C 1.752 177.773 176.094 -0.123 0.000 1.036 543 V CA 1.195 63.434 62.300 -0.103 0.000 1.020 543 V CB -0.355 31.429 31.823 -0.066 0.000 0.657 543 V HN 0.566 nan 8.190 nan 0.000 0.453 569 N N 1.390 120.099 118.700 0.015 0.000 2.216 569 N HA 0.247 4.988 4.740 0.002 0.000 0.183 569 N C 2.196 177.719 175.510 0.023 0.000 1.017 569 N CA 2.499 55.563 53.050 0.023 0.000 0.861 569 N CB -0.923 37.569 38.487 0.009 0.000 0.986 569 N HN 0.943 nan 8.380 nan 0.000 0.428 570 E N -0.682 119.523 120.200 0.008 0.000 2.152 570 E HA 0.183 4.534 4.350 0.002 0.000 0.192 570 E C 2.214 178.825 176.600 0.018 0.000 0.983 570 E CA 1.285 57.685 56.400 0.000 0.000 0.818 570 E CB -1.640 28.051 29.700 -0.015 0.000 0.758 570 E HN 1.054 nan 8.360 nan 0.000 0.467 571 F N 1.235 121.199 119.950 0.024 0.000 2.269 571 F HA 0.280 4.808 4.527 0.002 0.000 0.301 571 F C 2.691 178.538 175.800 0.079 0.000 1.082 571 F CA 1.573 59.592 58.000 0.032 0.000 1.360 571 F CB -0.982 38.026 39.000 0.013 0.000 1.041 571 F HN 0.450 nan 8.300 nan 0.000 0.512 572 G N -0.256 108.617 108.800 0.123 0.000 2.551 572 G HA2 0.203 4.163 3.960 0.002 0.000 0.216 572 G HA3 0.203 4.163 3.960 0.002 0.000 0.216 572 G C 1.740 176.781 174.900 0.235 0.000 1.137 572 G CA 1.419 46.698 45.100 0.298 0.000 0.798 572 G HN 0.936 nan 8.290 nan 0.000 0.536 573 I N 0.018 120.636 120.570 0.081 0.000 2.333 573 I HA 0.355 4.526 4.170 0.002 0.000 0.246 573 I C 2.876 179.001 176.117 0.013 0.000 1.106 573 I CA 1.900 63.202 61.300 0.003 0.000 1.411 573 I CB -1.574 36.411 38.000 -0.024 0.000 1.082 573 I HN 0.338 nan 8.210 nan 0.000 0.420 574 F N 1.541 121.509 119.950 0.029 0.000 2.216 574 F HA -0.117 4.411 4.527 0.002 0.000 0.300 574 F C 2.554 178.384 175.800 0.049 0.000 1.085 574 F CA 2.770 60.783 58.000 0.023 0.000 1.326 574 F CB -2.037 36.971 39.000 0.015 0.000 1.027 574 F HN 0.666 nan 8.300 nan 0.000 0.497 575 N N 0.388 119.153 118.700 0.108 0.000 2.207 575 N HA 0.033 4.774 4.740 0.002 0.000 0.182 575 N C 2.294 177.922 175.510 0.196 0.000 1.020 575 N CA 1.990 55.136 53.050 0.160 0.000 0.858 575 N CB -1.352 37.257 38.487 0.203 0.000 0.991 575 N HN 0.862 nan 8.380 nan 0.000 0.427 576 S N -0.091 115.699 115.700 0.150 0.000 2.419 576 S HA 0.319 4.790 4.470 0.002 0.000 0.233 576 S C 2.417 176.978 174.600 -0.064 0.000 1.016 576 S CA 1.933 60.074 58.200 -0.098 0.000 0.974 576 S CB -0.818 62.135 63.200 -0.411 0.000 0.786 576 S HN 1.152 nan 8.310 nan 0.000 0.492 577 L N -1.696 119.514 121.223 -0.022 0.000 2.341 577 L HA 0.397 4.738 4.340 0.002 0.000 0.214 577 L C 2.679 179.550 176.870 0.001 0.000 1.115 577 L CA 1.608 56.438 54.840 -0.016 0.000 0.820 577 L CB -2.349 39.701 42.059 -0.014 0.000 0.944 577 L HN 0.889 nan 8.230 nan 0.000 0.452 578 W N -1.899 119.411 121.300 0.016 0.000 2.494 578 W HA 0.237 4.898 4.660 0.002 0.000 0.286 578 W C 2.524 179.048 176.519 0.007 0.000 1.218 578 W CA 1.851 59.207 57.345 0.017 0.000 1.313 578 W CB -0.921 28.555 29.460 0.026 0.000 1.105 578 W HN 0.668 nan 8.180 nan 0.000 0.561 579 F N 0.926 120.882 119.950 0.010 0.000 2.407 579 F HA 0.274 4.802 4.527 0.002 0.000 0.299 579 F C 2.417 178.161 175.800 -0.093 0.000 1.097 579 F CA 2.401 60.384 58.000 -0.028 0.000 1.422 579 F CB -1.350 37.659 39.000 0.016 0.000 1.067 579 F HN 0.483 nan 8.300 nan 0.000 0.539 580 S N 0.189 115.849 115.700 -0.065 0.000 2.461 580 S HA 0.282 4.753 4.470 0.002 0.000 0.228 580 S C 2.179 176.782 174.600 0.005 0.000 1.005 580 S CA 1.472 59.639 58.200 -0.055 0.000 0.942 580 S CB -0.913 62.282 63.200 -0.009 0.000 0.776 580 S HN 1.287 nan 8.310 nan 0.000 0.514 581 L N 0.239 121.467 121.223 0.008 0.000 2.209 581 L HA 0.494 4.835 4.340 0.002 0.000 0.207 581 L C 2.570 179.459 176.870 0.032 0.000 1.094 581 L CA 1.483 56.344 54.840 0.035 0.000 0.790 581 L CB -1.727 40.350 42.059 0.029 0.000 0.932 581 L HN 0.488 nan 8.230 nan 0.000 0.447 582 G N -1.406 107.390 108.800 -0.006 0.000 2.598 582 G HA2 0.199 4.159 3.960 0.002 0.000 0.215 582 G HA3 0.199 4.159 3.960 0.002 0.000 0.215 582 G C 1.647 176.511 174.900 -0.060 0.000 1.131 582 G CA 1.290 46.382 45.100 -0.013 0.000 0.785 582 G HN 0.845 nan 8.290 nan 0.000 0.539 583 A N 0.557 123.298 122.820 -0.131 0.000 1.859 583 A HA 0.499 4.820 4.320 0.002 0.000 0.212 583 A C 1.635 179.287 177.584 0.114 0.000 1.238 583 A CA 0.654 52.500 52.037 -0.319 0.000 0.613 583 A CB -0.947 17.593 19.000 -0.766 0.000 0.904 583 A HN 0.917 nan 8.150 nan 0.000 0.457 584 F N 0.969 121.085 119.950 0.277 0.000 2.433 584 F HA 0.401 4.929 4.527 0.002 0.000 0.398 584 F C 1.065 177.015 175.800 0.249 0.000 1.002 584 F CA 0.148 58.342 58.000 0.322 0.000 1.053 584 F CB -2.012 37.108 39.000 0.199 0.000 0.928 584 F HN 0.784 nan 8.300 nan 0.000 0.529 585 M N 2.666 122.450 119.600 0.307 0.000 2.207 585 M HA 0.706 5.187 4.480 0.002 0.000 0.311 585 M C 0.124 176.549 176.300 0.209 0.000 1.127 585 M CA 0.239 55.718 55.300 0.298 0.000 1.181 585 M CB -0.184 32.622 32.600 0.343 0.000 1.409 585 M HN 2.508 nan 8.290 nan 0.000 0.461 594 R N 0.867 121.361 120.500 -0.010 0.000 4.680 594 R HA 0.552 4.893 4.340 0.002 0.000 0.222 594 R C 0.510 176.803 176.300 -0.011 0.000 1.803 594 R CA 0.380 56.473 56.100 -0.011 0.000 1.560 594 R CB -1.606 28.687 30.300 -0.012 0.000 1.412 594 R HN 0.466 nan 8.270 nan 0.000 0.815 595 S N 0.819 116.512 115.700 -0.011 0.000 3.072 595 S HA 0.088 4.559 4.470 0.002 0.000 0.306 595 S C 1.284 175.878 174.600 -0.010 0.000 1.207 595 S CA -0.502 57.690 58.200 -0.013 0.000 1.008 595 S CB 0.462 63.652 63.200 -0.016 0.000 1.390 595 S HN 0.514 nan 8.310 nan 0.000 0.523 596 L N 3.387 124.605 121.223 -0.009 0.000 2.085 596 L HA -0.203 4.138 4.340 0.002 0.000 0.218 596 L C 2.540 179.408 176.870 -0.003 0.000 1.080 596 L CA 2.385 57.221 54.840 -0.006 0.000 0.776 596 L CB -1.316 40.739 42.059 -0.007 0.000 0.891 596 L HN 0.826 nan 8.230 nan 0.000 0.437 597 S N -0.751 114.944 115.700 -0.007 0.000 2.426 597 S HA -0.194 4.277 4.470 0.002 0.000 0.220 597 S C 1.944 176.543 174.600 -0.002 0.000 1.040 597 S CA 1.684 59.880 58.200 -0.007 0.000 1.094 597 S CB -1.123 62.068 63.200 -0.015 0.000 1.072 597 S HN 0.623 nan 8.310 nan 0.000 0.415 598 G N 0.447 109.242 108.800 -0.007 0.000 2.625 598 G HA2 0.031 3.992 3.960 0.002 0.000 0.214 598 G HA3 0.031 3.992 3.960 0.002 0.000 0.214 598 G C 1.535 176.442 174.900 0.011 0.000 1.132 598 G CA 1.072 46.170 45.100 -0.004 0.000 0.782 598 G HN 0.728 nan 8.290 nan 0.000 0.538 599 R N 1.464 121.970 120.500 0.010 0.000 2.062 599 R HA 0.089 4.430 4.340 0.002 0.000 0.231 599 R C 2.514 178.835 176.300 0.035 0.000 1.136 599 R CA 1.476 57.586 56.100 0.016 0.000 0.948 599 R CB -1.211 29.092 30.300 0.004 0.000 0.845 599 R HN 0.784 nan 8.270 nan 0.000 0.430 600 I N -1.371 119.219 120.570 0.033 0.000 2.614 600 I HA -0.076 4.095 4.170 0.002 0.000 0.258 600 I C 1.917 178.086 176.117 0.087 0.000 1.189 600 I CA 1.091 62.420 61.300 0.049 0.000 1.462 600 I CB -0.387 37.632 38.000 0.032 0.000 1.092 600 I HN 0.077 nan 8.210 nan 0.000 0.442 601 V N 2.483 122.443 119.914 0.076 0.000 2.307 601 V HA -0.155 3.966 4.120 0.002 0.000 0.245 601 V C 2.857 179.057 176.094 0.177 0.000 1.045 601 V CA 2.301 64.661 62.300 0.099 0.000 1.024 601 V CB -1.318 30.528 31.823 0.037 0.000 0.651 601 V HN 0.647 nan 8.190 nan 0.000 0.449 602 G N -0.369 108.521 108.800 0.150 0.000 2.422 602 G HA2 -0.113 3.847 3.960 0.002 0.000 0.218 602 G HA3 -0.113 3.847 3.960 0.002 0.000 0.218 602 G C 1.569 176.655 174.900 0.310 0.000 1.140 602 G CA 0.914 46.148 45.100 0.223 0.000 0.775 602 G HN 0.585 nan 8.290 nan 0.000 0.545 603 G N 0.373 109.305 108.800 0.219 0.000 2.394 603 G HA2 -0.086 3.875 3.960 0.002 0.000 0.214 603 G HA3 -0.086 3.875 3.960 0.002 0.000 0.214 603 G C 1.743 176.865 174.900 0.370 0.000 1.176 603 G CA 1.083 46.320 45.100 0.229 0.000 0.786 603 G HN 0.279 nan 8.290 nan 0.000 0.533 604 V N 0.321 120.419 119.914 0.307 0.000 2.358 604 V HA -0.130 3.991 4.120 0.002 0.000 0.246 604 V C 2.277 178.646 176.094 0.458 0.000 1.047 604 V CA 1.600 64.104 62.300 0.340 0.000 1.035 604 V CB -0.554 31.406 31.823 0.229 0.000 0.658 604 V HN 0.668 nan 8.190 nan 0.000 0.452 605 W N -0.654 120.800 121.300 0.255 0.000 2.374 605 W HA -0.247 4.414 4.660 0.002 0.000 0.288 605 W C 2.330 179.065 176.519 0.361 0.000 1.218 605 W CA 1.550 59.044 57.345 0.249 0.000 1.245 605 W CB -0.308 29.238 29.460 0.142 0.000 1.126 605 W HN 0.484 nan 8.180 nan 0.000 0.545 606 W N 0.666 122.084 121.300 0.197 0.000 2.381 606 W HA -0.219 4.442 4.660 0.002 0.000 0.301 606 W C 2.359 178.905 176.519 0.046 0.000 1.205 606 W CA 2.294 59.684 57.345 0.074 0.000 1.285 606 W CB -1.253 28.297 29.460 0.150 0.000 1.133 606 W HN -0.114 nan 8.180 nan 0.000 0.521 607 F N 0.104 120.231 119.950 0.296 0.000 2.216 607 F HA -0.166 4.362 4.527 0.002 0.000 0.300 607 F C 2.137 177.864 175.800 -0.122 0.000 1.085 607 F CA 1.928 59.975 58.000 0.078 0.000 1.326 607 F CB -0.927 38.219 39.000 0.244 0.000 1.027 607 F HN 0.010 nan 8.300 nan 0.000 0.497 608 F N 0.294 120.147 119.950 -0.160 0.000 2.084 608 F HA -0.134 4.394 4.527 0.002 0.000 0.296 608 F C 2.665 178.138 175.800 -0.546 0.000 1.111 608 F CA 2.162 59.971 58.000 -0.318 0.000 1.224 608 F CB -1.144 37.718 39.000 -0.231 0.000 0.991 608 F HN -0.038 nan 8.300 nan 0.000 0.471 609 T N 0.247 114.399 114.554 -0.671 0.000 2.915 609 T HA -0.153 4.198 4.350 0.002 0.000 0.269 609 T C 1.962 176.229 174.700 -0.722 0.000 1.071 609 T CA 1.321 62.968 62.100 -0.755 0.000 1.132 609 T CB -0.573 67.914 68.868 -0.635 0.000 0.878 609 T HN 0.292 nan 8.240 nan 0.000 0.479 610 L N 1.150 121.873 121.223 -0.833 0.000 2.017 610 L HA 0.005 4.346 4.340 0.002 0.000 0.208 610 L C 2.143 178.616 176.870 -0.661 0.000 1.073 610 L CA 1.708 56.050 54.840 -0.830 0.000 0.745 610 L CB -0.645 40.754 42.059 -1.100 0.000 0.894 610 L HN 0.234 nan 8.230 nan 0.000 0.432 611 I N -0.338 119.781 120.570 -0.751 0.000 2.226 611 I HA -0.302 3.869 4.170 0.002 0.000 0.245 611 I C 2.653 178.458 176.117 -0.520 0.000 1.100 611 I CA 1.523 62.451 61.300 -0.620 0.000 1.374 611 I CB -1.029 36.577 38.000 -0.656 0.000 1.057 611 I HN 0.307 nan 8.210 nan 0.000 0.413 612 I N 1.298 121.485 120.570 -0.638 0.000 2.142 612 I HA -0.300 3.870 4.170 0.002 0.000 0.240 612 I C 2.634 178.523 176.117 -0.380 0.000 1.078 612 I CA 1.681 62.650 61.300 -0.552 0.000 1.343 612 I CB -0.305 37.276 38.000 -0.698 0.000 1.046 612 I HN 0.202 nan 8.210 nan 0.000 0.405 613 I N -1.804 118.545 120.570 -0.368 0.000 2.454 613 I HA -0.193 3.978 4.170 0.002 0.000 0.254 613 I C 2.455 178.487 176.117 -0.142 0.000 1.156 613 I CA 1.373 62.536 61.300 -0.229 0.000 1.433 613 I CB -0.522 37.338 38.000 -0.233 0.000 1.082 613 I HN 0.027 nan 8.210 nan 0.000 0.432 614 S N 1.170 116.739 115.700 -0.219 0.000 2.371 614 S HA -0.100 4.371 4.470 0.002 0.000 0.224 614 S C 2.166 176.675 174.600 -0.151 0.000 1.029 614 S CA 1.576 59.672 58.200 -0.174 0.000 0.978 614 S CB -0.206 62.863 63.200 -0.219 0.000 0.833 614 S HN 0.548 nan 8.310 nan 0.000 0.466 615 S N 0.571 116.157 115.700 -0.189 0.000 2.356 615 S HA -0.107 4.364 4.470 0.002 0.000 0.223 615 S C 1.635 176.149 174.600 -0.144 0.000 1.032 615 S CA 1.239 59.332 58.200 -0.179 0.000 1.005 615 S CB -0.497 62.572 63.200 -0.218 0.000 0.867 615 S HN 0.653 nan 8.310 nan 0.000 0.449 616 Y N 2.584 122.739 120.300 -0.241 0.000 2.128 616 Y HA -0.229 4.322 4.550 0.002 0.000 0.284 616 Y C 2.517 178.340 175.900 -0.127 0.000 1.154 616 Y CA 1.985 59.963 58.100 -0.204 0.000 1.149 616 Y CB -0.903 37.424 38.460 -0.223 0.000 0.976 616 Y HN 0.171 nan 8.280 nan 0.000 0.505 617 T N 0.730 115.284 114.554 -0.000 0.000 2.708 617 T HA -0.191 4.160 4.350 0.002 0.000 0.266 617 T C 2.118 176.732 174.700 -0.143 0.000 1.037 617 T CA 1.547 63.617 62.100 -0.051 0.000 1.146 617 T CB -0.846 68.031 68.868 0.014 0.000 0.865 617 T HN 0.512 nan 8.240 nan 0.000 0.435 618 A N 1.923 124.660 122.820 -0.139 0.000 1.877 618 A HA -0.180 4.141 4.320 0.002 0.000 0.216 618 A C 2.212 179.676 177.584 -0.200 0.000 1.186 618 A CA 1.956 53.904 52.037 -0.147 0.000 0.620 618 A CB -1.002 17.917 19.000 -0.136 0.000 0.822 618 A HN 0.633 nan 8.150 nan 0.000 0.443 619 N N -0.596 117.956 118.700 -0.247 0.000 2.120 619 N HA -0.167 4.574 4.740 0.002 0.000 0.188 619 N C 1.750 177.050 175.510 -0.350 0.000 1.024 619 N CA 1.470 54.332 53.050 -0.313 0.000 0.852 619 N CB -0.154 38.157 38.487 -0.293 0.000 1.003 619 N HN 0.342 nan 8.380 nan 0.000 0.424 620 L N 1.291 122.306 121.223 -0.347 0.000 2.191 620 L HA 0.014 4.355 4.340 0.002 0.000 0.212 620 L C 2.188 178.981 176.870 -0.130 0.000 1.103 620 L CA 1.361 56.048 54.840 -0.254 0.000 0.769 620 L CB -0.643 41.166 42.059 -0.418 0.000 0.908 620 L HN 0.164 nan 8.230 nan 0.000 0.438 621 A N -0.847 121.884 122.820 -0.149 0.000 2.014 621 A HA 0.053 4.374 4.320 0.002 0.000 0.218 621 A C 2.411 179.933 177.584 -0.104 0.000 1.163 621 A CA 1.282 53.262 52.037 -0.094 0.000 0.652 621 A CB -0.787 18.160 19.000 -0.087 0.000 0.808 621 A HN 0.529 nan 8.150 nan 0.000 0.449 622 A N -0.601 122.098 122.820 -0.202 0.000 1.854 622 A HA 0.084 4.405 4.320 0.002 0.000 0.214 622 A C 1.835 179.318 177.584 -0.169 0.000 1.192 622 A CA 1.405 53.293 52.037 -0.248 0.000 0.611 622 A CB -0.757 17.991 19.000 -0.420 0.000 0.832 622 A HN 0.410 nan 8.150 nan 0.000 0.442 623 F N 0.194 120.116 119.950 -0.048 0.000 2.161 623 F HA -0.095 4.433 4.527 0.002 0.000 0.300 623 F C 1.939 177.729 175.800 -0.017 0.000 1.089 623 F CA 1.067 59.050 58.000 -0.028 0.000 1.282 623 F CB -0.626 38.358 39.000 -0.026 0.000 1.010 623 F HN 0.073 nan 8.300 nan 0.000 0.485 624 L N -1.375 119.940 121.223 0.154 0.000 2.554 624 L HA -0.047 4.294 4.340 0.002 0.000 0.226 624 L C 1.900 178.801 176.870 0.051 0.000 1.137 624 L CA 0.631 55.526 54.840 0.092 0.000 0.863 624 L CB -0.703 41.397 42.059 0.069 0.000 0.985 624 L HN 0.110 nan 8.230 nan 0.000 0.451 625 T N -1.078 113.495 114.554 0.031 0.000 2.898 625 T HA -0.023 4.328 4.350 0.002 0.000 0.241 625 T C 1.910 176.621 174.700 0.019 0.000 1.024 625 T CA 0.743 62.849 62.100 0.010 0.000 1.174 625 T CB 0.067 68.924 68.868 -0.018 0.000 0.873 625 T HN -0.053 nan 8.240 nan 0.000 0.422 626 V N 1.323 121.249 119.914 0.020 0.000 2.255 626 V HA 0.122 4.243 4.120 0.002 0.000 0.243 626 V C 1.543 177.667 176.094 0.051 0.000 1.038 626 V CA 1.923 64.239 62.300 0.027 0.000 1.008 626 V CB -1.447 30.388 31.823 0.020 0.000 0.645 626 V HN 0.823 nan 8.190 nan 0.000 0.449 627 E N 0.874 121.127 120.200 0.088 0.000 2.246 627 E HA -0.293 4.058 4.350 0.002 0.000 0.211 627 E C 0.309 176.950 176.600 0.067 0.000 1.278 627 E CA 0.955 57.410 56.400 0.092 0.000 0.694 627 E CB -2.294 27.447 29.700 0.068 0.000 1.166 627 E HN 0.899 nan 8.360 nan 0.000 0.370 628 R N 0.298 120.842 120.500 0.074 0.000 2.357 628 R HA 0.739 5.080 4.340 0.002 0.000 0.296 628 R C 0.530 176.858 176.300 0.046 0.000 1.052 628 R CA -0.904 55.228 56.100 0.053 0.000 0.988 628 R CB 1.048 31.377 30.300 0.049 0.000 1.025 628 R HN 0.264 nan 8.270 nan 0.000 0.469 629 M N 3.192 122.812 119.600 0.034 0.000 2.250 629 M HA 0.211 4.692 4.480 0.002 0.000 0.344 629 M C 0.075 176.389 176.300 0.023 0.000 1.150 629 M CA -0.737 54.579 55.300 0.026 0.000 1.147 629 M CB 1.354 33.969 32.600 0.024 0.000 1.498 629 M HN 0.725 nan 8.290 nan 0.000 0.461 630 V N 0.293 120.217 119.914 0.016 0.000 2.919 630 V HA 0.949 5.070 4.120 0.002 0.000 0.316 630 V C -0.309 175.792 176.094 0.011 0.000 1.077 630 V CA -0.800 61.508 62.300 0.014 0.000 0.977 630 V CB 1.803 33.632 31.823 0.009 0.000 1.039 630 V HN 0.951 nan 8.190 nan 0.000 0.441 631 S N 1.498 117.204 115.700 0.009 0.000 2.526 631 S HA 0.738 5.209 4.470 0.002 0.000 0.293 631 S C -1.834 172.766 174.600 0.001 0.000 1.092 631 S CA -0.877 57.327 58.200 0.007 0.000 0.980 631 S CB 1.286 64.492 63.200 0.010 0.000 1.048 631 S HN 0.712 nan 8.310 nan 0.000 0.483 632 P HA 0.191 nan 4.420 nan 0.000 0.210 632 P C -0.092 177.197 177.300 -0.017 0.000 1.192 632 P CA 0.572 63.667 63.100 -0.009 0.000 0.913 632 P CB -0.166 31.530 31.700 -0.007 0.000 0.774 633 I N 0.141 120.698 120.570 -0.022 0.000 2.505 633 I HA 0.150 4.321 4.170 0.002 0.000 0.287 633 I C 1.636 177.736 176.117 -0.028 0.000 1.104 633 I CA 0.328 61.606 61.300 -0.036 0.000 1.387 633 I CB 0.753 38.722 38.000 -0.050 0.000 1.404 633 I HN 0.080 nan 8.210 nan 0.000 0.528 634 E N 4.647 124.828 120.200 -0.031 0.000 2.330 634 E HA 0.110 4.461 4.350 0.002 0.000 0.200 634 E C 0.864 177.448 176.600 -0.026 0.000 0.922 634 E CA 0.734 57.121 56.400 -0.023 0.000 0.935 634 E CB 0.516 30.204 29.700 -0.019 0.000 0.917 634 E HN 0.760 nan 8.360 nan 0.000 0.491 635 S N -2.635 113.041 115.700 -0.039 0.000 2.806 635 S HA 0.741 5.212 4.470 0.002 0.000 0.306 635 S C 1.505 176.067 174.600 -0.064 0.000 1.167 635 S CA 0.088 58.264 58.200 -0.040 0.000 0.847 635 S CB 1.196 64.371 63.200 -0.041 0.000 1.216 635 S HN 0.757 nan 8.310 nan 0.000 0.532 636 A N 0.119 122.905 122.820 -0.055 0.000 1.968 636 A HA 0.249 4.570 4.320 0.002 0.000 0.217 636 A C 2.200 179.695 177.584 -0.148 0.000 1.169 636 A CA 1.659 53.648 52.037 -0.080 0.000 0.638 636 A CB -1.852 17.159 19.000 0.018 0.000 0.812 636 A HN 1.237 nan 8.150 nan 0.000 0.446 637 E N 0.459 120.574 120.200 -0.141 0.000 2.265 637 E HA -0.224 4.127 4.350 0.002 0.000 0.196 637 E C 1.413 177.945 176.600 -0.115 0.000 0.996 637 E CA 1.520 57.839 56.400 -0.137 0.000 0.832 637 E CB -0.790 28.841 29.700 -0.115 0.000 0.756 637 E HN 0.655 nan 8.360 nan 0.000 0.491 638 D N -0.174 120.160 120.400 -0.110 0.000 2.224 638 D HA 0.012 4.653 4.640 0.002 0.000 0.205 638 D C 1.901 178.124 176.300 -0.128 0.000 0.965 638 D CA 0.404 54.345 54.000 -0.098 0.000 0.852 638 D CB -0.001 40.752 40.800 -0.079 0.000 0.947 638 D HN 0.433 nan 8.370 nan 0.000 0.494 639 L N 0.657 121.754 121.223 -0.210 0.000 2.217 639 L HA -0.084 4.257 4.340 0.002 0.000 0.211 639 L C 2.289 179.027 176.870 -0.221 0.000 1.107 639 L CA 0.945 55.577 54.840 -0.347 0.000 0.783 639 L CB -0.197 41.391 42.059 -0.785 0.000 0.919 639 L HN 0.064 nan 8.230 nan 0.000 0.442 640 S N -0.707 114.901 115.700 -0.153 0.000 2.439 640 S HA -0.063 4.408 4.470 0.002 0.000 0.224 640 S C 2.190 176.761 174.600 -0.048 0.000 1.029 640 S CA 0.715 58.883 58.200 -0.054 0.000 0.946 640 S CB -0.203 62.972 63.200 -0.042 0.000 0.797 640 S HN 0.316 nan 8.310 nan 0.000 0.504 641 K N 0.627 120.990 120.400 -0.062 0.000 2.432 641 K HA 0.161 4.482 4.320 0.002 0.000 0.196 641 K C 1.016 177.589 176.600 -0.044 0.000 1.038 641 K CA 1.078 57.336 56.287 -0.048 0.000 0.986 641 K CB -0.668 31.802 32.500 -0.049 0.000 0.782 641 K HN 0.893 nan 8.250 nan 0.000 0.485 642 Q N -3.605 116.165 119.800 -0.051 0.000 2.496 642 Q HA 0.625 4.966 4.340 0.002 0.000 0.286 642 Q C 0.522 176.483 176.000 -0.065 0.000 1.103 642 Q CA -0.155 55.621 55.803 -0.045 0.000 0.813 642 Q CB 1.732 30.448 28.738 -0.036 0.000 1.444 642 Q HN -0.057 nan 8.270 nan 0.000 0.443 643 T N -1.978 112.540 114.554 -0.060 0.000 3.028 643 T HA 0.180 4.531 4.350 0.002 0.000 0.262 643 T C 1.381 176.058 174.700 -0.039 0.000 0.916 643 T CA 0.989 63.031 62.100 -0.096 0.000 0.873 643 T CB -0.166 68.660 68.868 -0.071 0.000 1.232 643 T HN 0.649 nan 8.240 nan 0.000 0.529 644 E N 1.327 121.521 120.200 -0.011 0.000 2.097 644 E HA 0.037 4.388 4.350 0.002 0.000 0.196 644 E C 0.865 177.485 176.600 0.034 0.000 1.000 644 E CA 1.284 57.691 56.400 0.013 0.000 0.804 644 E CB -0.771 28.936 29.700 0.012 0.000 0.740 644 E HN 0.773 nan 8.360 nan 0.000 0.454 645 I N 0.992 121.587 120.570 0.040 0.000 2.291 645 I HA 0.519 4.690 4.170 0.002 0.000 0.290 645 I C 0.581 176.775 176.117 0.128 0.000 1.050 645 I CA -0.883 60.466 61.300 0.081 0.000 1.245 645 I CB 1.233 39.273 38.000 0.066 0.000 1.405 645 I HN 0.361 nan 8.210 nan 0.000 0.478 646 A N 7.257 130.172 122.820 0.157 0.000 2.386 646 A HA 0.552 4.873 4.320 0.002 0.000 0.246 646 A C -0.685 177.047 177.584 0.247 0.000 1.089 646 A CA 0.262 52.415 52.037 0.193 0.000 0.790 646 A CB 0.288 19.447 19.000 0.265 0.000 1.042 646 A HN 0.754 nan 8.150 nan 0.000 0.497 647 Y N -2.744 117.675 120.300 0.198 0.000 2.604 647 Y HA 0.692 5.243 4.550 0.002 0.000 0.331 647 Y C -0.145 175.797 175.900 0.070 0.000 1.158 647 Y CA -0.493 57.569 58.100 -0.062 0.000 1.056 647 Y CB 0.599 38.985 38.460 -0.124 0.000 1.330 647 Y HN 1.217 nan 8.280 nan 0.000 0.457 648 G N 0.116 109.005 108.800 0.150 0.000 2.606 648 G HA2 0.631 4.591 3.960 0.002 0.000 0.300 648 G HA3 0.631 4.591 3.960 0.002 0.000 0.300 648 G C -1.255 173.768 174.900 0.206 0.000 1.360 648 G CA -0.365 44.772 45.100 0.061 0.000 0.783 648 G HN 1.212 nan 8.290 nan 0.000 0.484 649 T N -2.608 112.125 114.554 0.298 0.000 2.724 649 T HA 0.693 5.044 4.350 0.002 0.000 0.274 649 T C -0.591 174.492 174.700 0.639 0.000 0.984 649 T CA -0.687 61.654 62.100 0.400 0.000 1.024 649 T CB 1.328 70.443 68.868 0.411 0.000 1.320 649 T HN 0.829 nan 8.240 nan 0.000 0.555 650 L N 2.387 123.924 121.223 0.522 0.000 2.416 650 L HA 0.263 4.604 4.340 0.002 0.000 0.272 650 L C 1.236 178.329 176.870 0.373 0.000 1.161 650 L CA 0.082 55.196 54.840 0.457 0.000 0.845 650 L CB 0.307 42.573 42.059 0.345 0.000 1.119 650 L HN 0.861 nan 8.230 nan 0.000 0.464 651 D N 0.542 121.114 120.400 0.288 0.000 2.263 651 D HA -0.086 4.555 4.640 0.002 0.000 0.208 651 D C 0.046 176.361 176.300 0.024 0.000 0.971 651 D CA 1.190 55.249 54.000 0.098 0.000 0.867 651 D CB -0.234 40.623 40.800 0.095 0.000 0.929 651 D HN 0.420 nan 8.370 nan 0.000 0.492 652 S N -1.957 113.797 115.700 0.090 0.000 2.614 652 S HA 0.709 5.180 4.470 0.002 0.000 0.275 652 S C -0.171 174.483 174.600 0.089 0.000 1.161 652 S CA -0.315 57.923 58.200 0.063 0.000 0.969 652 S CB 2.034 65.263 63.200 0.049 0.000 1.059 652 S HN 0.760 nan 8.310 nan 0.000 0.482 653 G N 1.249 110.090 108.800 0.068 0.000 2.361 653 G HA2 0.347 4.308 3.960 0.002 0.000 0.305 653 G HA3 0.347 4.308 3.960 0.002 0.000 0.305 653 G C 0.360 175.286 174.900 0.043 0.000 1.367 653 G CA 0.039 45.178 45.100 0.064 0.000 0.951 653 G HN 1.651 nan 8.290 nan 0.000 0.615 654 S N -1.169 114.541 115.700 0.015 0.000 2.419 654 S HA -0.102 4.369 4.470 0.002 0.000 0.233 654 S C 2.150 176.756 174.600 0.010 0.000 1.016 654 S CA 2.618 60.811 58.200 -0.012 0.000 0.974 654 S CB -0.530 62.635 63.200 -0.058 0.000 0.786 654 S HN 0.887 nan 8.310 nan 0.000 0.492 655 T N 2.287 116.864 114.554 0.038 0.000 2.674 655 T HA -0.031 4.320 4.350 0.002 0.000 0.265 655 T C 2.445 177.314 174.700 0.281 0.000 1.039 655 T CA 2.213 64.371 62.100 0.097 0.000 1.150 655 T CB -0.830 68.110 68.868 0.119 0.000 0.864 655 T HN 0.792 nan 8.240 nan 0.000 0.427 656 K N 1.252 121.811 120.400 0.265 0.000 2.025 656 K HA 0.059 4.379 4.320 0.002 0.000 0.207 656 K C 2.343 178.985 176.600 0.070 0.000 1.049 656 K CA 1.946 58.418 56.287 0.309 0.000 0.933 656 K CB -1.617 31.017 32.500 0.223 0.000 0.714 656 K HN 0.643 nan 8.250 nan 0.000 0.438 657 E N 0.128 120.321 120.200 -0.013 0.000 2.265 657 E HA -0.037 4.314 4.350 0.002 0.000 0.196 657 E C 1.726 178.224 176.600 -0.170 0.000 0.996 657 E CA 1.270 57.588 56.400 -0.136 0.000 0.832 657 E CB -0.876 28.777 29.700 -0.078 0.000 0.756 657 E HN 0.700 nan 8.360 nan 0.000 0.491 658 F N 0.332 120.132 119.950 -0.249 0.000 2.084 658 F HA 0.003 4.531 4.527 0.002 0.000 0.296 658 F C 2.002 177.538 175.800 -0.440 0.000 1.111 658 F CA 1.747 59.516 58.000 -0.386 0.000 1.224 658 F CB -0.375 38.308 39.000 -0.528 0.000 0.991 658 F HN 0.183 nan 8.300 nan 0.000 0.471 659 F N 0.709 120.419 119.950 -0.401 0.000 2.171 659 F HA -0.075 4.453 4.527 0.002 0.000 0.300 659 F C 2.905 178.252 175.800 -0.755 0.000 1.090 659 F CA 2.033 59.773 58.000 -0.434 0.000 1.293 659 F CB -1.537 37.523 39.000 0.099 0.000 1.013 659 F HN -0.019 nan 8.300 nan 0.000 0.486 660 R N 0.813 120.670 120.500 -1.072 0.000 2.091 660 R HA -0.070 4.271 4.340 0.002 0.000 0.238 660 R C 2.206 178.120 176.300 -0.644 0.000 1.136 660 R CA 2.043 57.239 56.100 -1.507 0.000 0.959 660 R CB -2.057 27.507 30.300 -1.228 0.000 0.856 660 R HN 0.395 nan 8.270 nan 0.000 0.437 661 R N 0.371 120.584 120.500 -0.478 0.000 2.280 661 R HA 0.291 4.632 4.340 0.002 0.000 0.195 661 R C 1.613 177.728 176.300 -0.308 0.000 0.935 661 R CA 0.596 56.513 56.100 -0.306 0.000 1.033 661 R CB -0.878 29.280 30.300 -0.237 0.000 0.964 661 R HN 0.557 nan 8.270 nan 0.000 0.489 662 S N 0.589 116.012 115.700 -0.462 0.000 2.516 662 S HA 0.406 4.877 4.470 0.002 0.000 0.282 662 S C 1.150 175.647 174.600 -0.173 0.000 1.286 662 S CA 0.537 58.464 58.200 -0.456 0.000 1.066 662 S CB 0.948 63.657 63.200 -0.818 0.000 0.884 662 S HN 0.691 nan 8.310 nan 0.000 0.491 663 K N 4.747 125.086 120.400 -0.101 0.000 2.397 663 K HA 0.379 4.700 4.320 0.002 0.000 0.202 663 K C 0.407 177.026 176.600 0.032 0.000 1.022 663 K CA -0.021 56.255 56.287 -0.018 0.000 1.141 663 K CB -0.492 31.995 32.500 -0.020 0.000 0.857 663 K HN 0.811 nan 8.250 nan 0.000 0.514 664 I N 0.760 121.374 120.570 0.074 0.000 2.575 664 I HA 0.213 4.384 4.170 0.002 0.000 0.285 664 I C 2.024 178.208 176.117 0.113 0.000 1.085 664 I CA -0.335 61.051 61.300 0.143 0.000 1.403 664 I CB 1.548 39.759 38.000 0.351 0.000 1.409 664 I HN 0.288 nan 8.210 nan 0.000 0.557 665 A N 6.044 128.892 122.820 0.048 0.000 1.852 665 A HA -0.169 4.152 4.320 0.002 0.000 0.217 665 A C 2.157 179.737 177.584 -0.008 0.000 1.215 665 A CA 2.223 54.269 52.037 0.016 0.000 0.641 665 A CB -0.978 18.015 19.000 -0.012 0.000 0.838 665 A HN 0.629 nan 8.150 nan 0.000 0.450 666 V N -1.042 118.796 119.914 -0.128 0.000 2.255 666 V HA -0.280 3.841 4.120 0.002 0.000 0.247 666 V C 2.388 178.425 176.094 -0.095 0.000 1.051 666 V CA 2.358 64.531 62.300 -0.212 0.000 1.018 666 V CB -1.252 30.296 31.823 -0.459 0.000 0.641 666 V HN 0.544 nan 8.190 nan 0.000 0.445 667 F N 0.513 120.560 119.950 0.162 0.000 2.269 667 F HA -0.149 4.379 4.527 0.002 0.000 0.301 667 F C 2.308 178.285 175.800 0.295 0.000 1.082 667 F CA 1.513 59.686 58.000 0.287 0.000 1.360 667 F CB -0.771 38.311 39.000 0.136 0.000 1.041 667 F HN 0.241 nan 8.300 nan 0.000 0.512 668 D N 1.226 121.818 120.400 0.320 0.000 2.078 668 D HA -0.205 4.436 4.640 0.002 0.000 0.193 668 D C 2.428 178.905 176.300 0.295 0.000 0.990 668 D CA 2.232 56.400 54.000 0.280 0.000 0.827 668 D CB -0.091 40.811 40.800 0.171 0.000 0.975 668 D HN 0.247 nan 8.370 nan 0.000 0.451 669 K N 0.871 121.393 120.400 0.204 0.000 2.063 669 K HA -0.121 4.199 4.320 0.002 0.000 0.208 669 K C 2.444 179.189 176.600 0.241 0.000 1.048 669 K CA 1.887 58.279 56.287 0.174 0.000 0.928 669 K CB -1.098 31.463 32.500 0.103 0.000 0.713 669 K HN 0.344 nan 8.250 nan 0.000 0.442 670 M N -1.291 118.487 119.600 0.297 0.000 2.080 670 M HA -0.142 4.339 4.480 0.002 0.000 0.260 670 M C 2.396 178.937 176.300 0.401 0.000 1.068 670 M CA 2.119 57.650 55.300 0.385 0.000 1.109 670 M CB -0.371 32.435 32.600 0.343 0.000 1.342 670 M HN 0.702 nan 8.290 nan 0.000 0.405 671 W N 1.381 122.818 121.300 0.227 0.000 2.358 671 W HA -0.188 4.473 4.660 0.002 0.000 0.303 671 W C 1.751 178.364 176.519 0.157 0.000 1.208 671 W CA 1.788 59.251 57.345 0.196 0.000 1.274 671 W CB -0.385 29.221 29.460 0.243 0.000 1.138 671 W HN 0.193 nan 8.180 nan 0.000 0.515 672 T N 0.558 115.145 114.554 0.054 0.000 2.699 672 T HA -0.333 4.018 4.350 0.002 0.000 0.268 672 T C 1.318 175.939 174.700 -0.131 0.000 1.036 672 T CA 2.154 64.197 62.100 -0.094 0.000 1.147 672 T CB -0.935 67.965 68.868 0.053 0.000 0.862 672 T HN 0.411 nan 8.240 nan 0.000 0.446 673 Y N 1.585 121.805 120.300 -0.134 0.000 2.133 673 Y HA -0.044 4.507 4.550 0.002 0.000 0.287 673 Y C 2.277 178.007 175.900 -0.283 0.000 1.134 673 Y CA 1.290 59.282 58.100 -0.180 0.000 1.133 673 Y CB -0.472 37.897 38.460 -0.152 0.000 0.987 673 Y HN 0.096 nan 8.280 nan 0.000 0.502 674 M N 0.352 119.641 119.600 -0.518 0.000 2.279 674 M HA -0.157 4.324 4.480 0.002 0.000 0.264 674 M C 2.493 178.490 176.300 -0.505 0.000 1.062 674 M CA 1.855 56.748 55.300 -0.678 0.000 1.099 674 M CB -0.454 31.953 32.600 -0.321 0.000 1.394 674 M HN 0.383 nan 8.290 nan 0.000 0.426 675 R N 0.588 120.694 120.500 -0.655 0.000 2.148 675 R HA -0.042 4.299 4.340 0.002 0.000 0.227 675 R C 1.790 177.886 176.300 -0.341 0.000 1.103 675 R CA 1.867 57.557 56.100 -0.682 0.000 0.983 675 R CB -1.343 28.340 30.300 -1.028 0.000 0.874 675 R HN 0.644 nan 8.270 nan 0.000 0.451 676 S N -2.063 113.432 115.700 -0.341 0.000 2.819 676 S HA 0.618 5.089 4.470 0.002 0.000 0.249 676 S C 0.660 175.095 174.600 -0.275 0.000 1.030 676 S CA 0.119 58.177 58.200 -0.237 0.000 1.052 676 S CB 0.224 63.317 63.200 -0.178 0.000 1.017 676 S HN 0.775 nan 8.310 nan 0.000 0.576 677 A N 1.244 123.796 122.820 -0.445 0.000 2.450 677 A HA 0.616 4.937 4.320 0.002 0.000 0.255 677 A C 0.404 177.812 177.584 -0.293 0.000 1.096 677 A CA 0.402 52.126 52.037 -0.522 0.000 0.778 677 A CB -0.158 18.233 19.000 -1.015 0.000 1.031 677 A HN 0.848 nan 8.150 nan 0.000 0.494 678 E N 3.469 123.551 120.200 -0.197 0.000 2.234 678 E HA 0.656 5.007 4.350 0.002 0.000 0.266 678 E C -2.037 174.506 176.600 -0.095 0.000 0.877 678 E CA -1.632 54.695 56.400 -0.122 0.000 0.758 678 E CB 0.305 29.954 29.700 -0.084 0.000 1.170 678 E HN 0.844 nan 8.360 nan 0.000 0.415 679 P HA 0.275 nan 4.420 nan 0.000 0.275 679 P C 0.305 177.541 177.300 -0.107 0.000 1.270 679 P CA -0.434 62.617 63.100 -0.081 0.000 0.791 679 P CB 0.618 32.275 31.700 -0.071 0.000 1.089 680 S N -0.478 115.183 115.700 -0.065 0.000 2.546 680 S HA 0.035 4.506 4.470 0.002 0.000 0.290 680 S C 1.191 175.720 174.600 -0.119 0.000 1.262 680 S CA -0.348 57.832 58.200 -0.032 0.000 1.083 680 S CB -0.452 62.793 63.200 0.074 0.000 0.859 680 S HN 0.326 nan 8.310 nan 0.000 0.495 681 V N 3.917 123.659 119.914 -0.287 0.000 3.623 681 V HA 0.376 4.497 4.120 0.002 0.000 0.271 681 V C 0.163 176.106 176.094 -0.252 0.000 1.248 681 V CA 0.024 62.138 62.300 -0.310 0.000 1.156 681 V CB -1.239 30.319 31.823 -0.442 0.000 0.870 681 V HN 0.638 nan 8.190 nan 0.000 0.453 682 F N 1.529 121.534 119.950 0.091 0.000 2.385 682 F HA 0.692 5.220 4.527 0.002 0.000 0.336 682 F C 0.339 176.207 175.800 0.114 0.000 1.100 682 F CA -0.850 57.243 58.000 0.156 0.000 1.116 682 F CB 1.478 40.558 39.000 0.133 0.000 1.166 682 F HN 0.010 nan 8.300 nan 0.000 0.511 683 V N -0.192 119.922 119.914 0.335 0.000 2.994 683 V HA 0.816 4.937 4.120 0.002 0.000 0.318 683 V C 0.718 176.915 176.094 0.172 0.000 1.085 683 V CA -0.610 61.795 62.300 0.176 0.000 0.998 683 V CB 1.020 32.892 31.823 0.082 0.000 1.063 683 V HN 0.859 nan 8.190 nan 0.000 0.447 684 R N 1.142 121.703 120.500 0.102 0.000 2.057 684 R HA 0.237 4.578 4.340 0.002 0.000 0.229 684 R C 1.349 177.709 176.300 0.100 0.000 1.136 684 R CA 1.820 57.975 56.100 0.092 0.000 0.952 684 R CB -1.265 29.070 30.300 0.058 0.000 0.848 684 R HN 1.210 nan 8.270 nan 0.000 0.430 685 T N -5.268 109.333 114.554 0.079 0.000 2.910 685 T HA 0.377 4.728 4.350 0.002 0.000 0.287 685 T C 0.984 175.727 174.700 0.073 0.000 1.050 685 T CA 0.217 62.369 62.100 0.087 0.000 1.011 685 T CB 1.709 70.616 68.868 0.064 0.000 1.195 685 T HN 0.073 nan 8.240 nan 0.000 0.540 686 T N 0.858 115.476 114.554 0.106 0.000 2.867 686 T HA 0.046 4.397 4.350 0.002 0.000 0.268 686 T C 2.327 177.021 174.700 -0.009 0.000 1.057 686 T CA 1.291 63.453 62.100 0.104 0.000 1.136 686 T CB -0.757 68.231 68.868 0.201 0.000 0.874 686 T HN 0.792 nan 8.240 nan 0.000 0.466 687 A N 1.453 124.286 122.820 0.022 0.000 1.933 687 A HA -0.009 4.312 4.320 0.002 0.000 0.218 687 A C 2.480 180.043 177.584 -0.037 0.000 1.175 687 A CA 2.089 54.131 52.037 0.008 0.000 0.628 687 A CB -1.093 17.925 19.000 0.029 0.000 0.814 687 A HN 0.593 nan 8.150 nan 0.000 0.444 688 E N -0.717 119.454 120.200 -0.048 0.000 2.110 688 E HA -0.003 4.348 4.350 0.002 0.000 0.193 688 E C 2.299 178.820 176.600 -0.132 0.000 0.988 688 E CA 1.671 58.033 56.400 -0.063 0.000 0.804 688 E CB -1.588 28.092 29.700 -0.035 0.000 0.745 688 E HN 0.696 nan 8.360 nan 0.000 0.458 689 G N 0.323 108.949 108.800 -0.290 0.000 2.421 689 G HA2 -0.148 3.813 3.960 0.002 0.000 0.216 689 G HA3 -0.148 3.813 3.960 0.002 0.000 0.216 689 G C 1.963 176.668 174.900 -0.325 0.000 1.171 689 G CA 1.427 46.177 45.100 -0.584 0.000 0.775 689 G HN 0.465 nan 8.290 nan 0.000 0.543 690 V N 1.597 121.369 119.914 -0.237 0.000 2.343 690 V HA -0.125 3.996 4.120 0.002 0.000 0.247 690 V C 3.320 179.425 176.094 0.019 0.000 1.051 690 V CA 1.961 64.246 62.300 -0.026 0.000 1.036 690 V CB -0.861 30.977 31.823 0.026 0.000 0.654 690 V HN 0.474 nan 8.190 nan 0.000 0.451 691 A N 0.310 123.125 122.820 -0.009 0.000 1.933 691 A HA -0.211 4.110 4.320 0.002 0.000 0.218 691 A C 2.527 180.122 177.584 0.017 0.000 1.175 691 A CA 2.340 54.380 52.037 0.006 0.000 0.628 691 A CB -0.648 18.346 19.000 -0.010 0.000 0.814 691 A HN 0.530 nan 8.150 nan 0.000 0.444 692 R N -0.671 119.835 120.500 0.011 0.000 2.115 692 R HA 0.083 4.424 4.340 0.002 0.000 0.230 692 R C 2.083 178.495 176.300 0.186 0.000 1.111 692 R CA 1.667 57.771 56.100 0.006 0.000 0.976 692 R CB -1.664 28.529 30.300 -0.178 0.000 0.870 692 R HN 0.433 nan 8.270 nan 0.000 0.445 693 V N 0.782 120.852 119.914 0.260 0.000 2.719 693 V HA -0.087 4.034 4.120 0.002 0.000 0.252 693 V C 2.287 178.467 176.094 0.142 0.000 1.065 693 V CA 1.559 64.010 62.300 0.253 0.000 1.086 693 V CB -0.427 31.515 31.823 0.199 0.000 0.700 693 V HN 0.533 nan 8.190 nan 0.000 0.467 694 R N 0.428 120.988 120.500 0.099 0.000 2.275 694 R HA 0.081 4.422 4.340 0.002 0.000 0.199 694 R C 1.916 178.249 176.300 0.055 0.000 0.989 694 R CA 0.986 57.126 56.100 0.068 0.000 1.016 694 R CB -0.100 30.231 30.300 0.051 0.000 0.918 694 R HN 0.514 nan 8.270 nan 0.000 0.473 695 K N -0.033 120.400 120.400 0.055 0.000 2.413 695 K HA 0.210 4.530 4.320 0.002 0.000 0.204 695 K C 1.068 177.692 176.600 0.039 0.000 1.041 695 K CA 0.013 56.321 56.287 0.035 0.000 1.082 695 K CB 0.729 33.238 32.500 0.015 0.000 0.871 695 K HN -0.036 nan 8.250 nan 0.000 0.535 696 S N 0.254 115.996 115.700 0.069 0.000 2.539 696 S HA 0.284 4.755 4.470 0.002 0.000 0.221 696 S C 1.224 175.869 174.600 0.075 0.000 0.987 696 S CA 0.594 58.841 58.200 0.079 0.000 0.929 696 S CB 0.529 63.814 63.200 0.141 0.000 0.832 696 S HN 0.972 nan 8.310 nan 0.000 0.492 697 K N 0.681 121.120 120.400 0.064 0.000 3.069 697 K HA -0.125 4.196 4.320 0.002 0.000 0.267 697 K C 1.048 177.684 176.600 0.060 0.000 1.082 697 K CA 1.245 57.564 56.287 0.053 0.000 0.782 697 K CB -2.942 29.582 32.500 0.041 0.000 1.230 697 K HN 1.573 nan 8.250 nan 0.000 0.488 698 G N -3.991 104.855 108.800 0.076 0.000 2.132 698 G HA2 0.183 4.144 3.960 0.002 0.000 0.234 698 G HA3 0.183 4.144 3.960 0.002 0.000 0.234 698 G C 0.964 175.914 174.900 0.083 0.000 0.989 698 G CA 1.492 46.636 45.100 0.073 0.000 0.676 698 G HN 2.178 nan 8.290 nan 0.000 0.522 699 K N -1.248 119.218 120.400 0.110 0.000 2.367 699 K HA 0.629 4.950 4.320 0.002 0.000 0.194 699 K C 0.367 177.088 176.600 0.202 0.000 1.027 699 K CA 1.011 57.372 56.287 0.123 0.000 1.075 699 K CB 0.378 32.939 32.500 0.101 0.000 0.845 699 K HN 1.231 nan 8.250 nan 0.000 0.529 700 Y N 0.106 120.449 120.300 0.072 0.000 2.373 700 Y HA 0.592 5.143 4.550 0.002 0.000 0.336 700 Y C -0.587 175.392 175.900 0.131 0.000 0.979 700 Y CA -2.034 56.125 58.100 0.098 0.000 1.080 700 Y CB 1.760 40.264 38.460 0.074 0.000 1.190 700 Y HN 0.126 nan 8.280 nan 0.000 0.446 701 A N 5.298 127.829 122.820 -0.482 0.000 2.325 701 A HA 0.626 4.947 4.320 0.002 0.000 0.333 701 A C -2.316 174.927 177.584 -0.568 0.000 1.155 701 A CA -0.552 51.273 52.037 -0.354 0.000 0.814 701 A CB 0.687 19.610 19.000 -0.129 0.000 1.206 701 A HN 0.746 nan 8.150 nan 0.000 0.482 702 Y N 1.943 122.042 120.300 -0.336 0.000 2.376 702 Y HA 0.611 5.161 4.550 0.002 0.000 0.340 702 Y C -1.102 174.800 175.900 0.003 0.000 0.965 702 Y CA -1.129 56.879 58.100 -0.152 0.000 1.078 702 Y CB 1.371 39.845 38.460 0.023 0.000 1.193 702 Y HN 0.564 nan 8.280 nan 0.000 0.452 703 L N 8.277 129.204 121.223 -0.494 0.000 2.272 703 L HA 0.633 4.974 4.340 0.002 0.000 0.289 703 L C -0.553 175.975 176.870 -0.570 0.000 1.032 703 L CA -0.632 54.008 54.840 -0.333 0.000 0.810 703 L CB 0.809 42.864 42.059 -0.007 0.000 1.205 703 L HN 0.719 nan 8.230 nan 0.000 0.422 704 L N -0.777 120.253 121.223 -0.321 0.000 2.654 704 L HA 0.786 5.127 4.340 0.002 0.000 0.257 704 L C -0.074 176.765 176.870 -0.052 0.000 1.093 704 L CA -1.095 53.631 54.840 -0.190 0.000 0.903 704 L CB 1.586 43.584 42.059 -0.103 0.000 1.520 704 L HN 0.478 nan 8.230 nan 0.000 0.402 705 E N 0.290 120.491 120.200 0.002 0.000 2.415 705 E HA 0.269 4.620 4.350 0.002 0.000 0.263 705 E C 1.115 177.746 176.600 0.052 0.000 0.995 705 E CA 0.221 56.624 56.400 0.005 0.000 0.915 705 E CB 0.670 30.400 29.700 0.051 0.000 0.951 705 E HN 0.860 nan 8.360 nan 0.000 0.449 706 S N 1.435 117.139 115.700 0.007 0.000 2.374 706 S HA -0.278 4.193 4.470 0.002 0.000 0.227 706 S C 2.165 176.836 174.600 0.118 0.000 1.037 706 S CA 2.292 60.513 58.200 0.036 0.000 1.024 706 S CB -1.083 62.101 63.200 -0.027 0.000 0.861 706 S HN 1.162 nan 8.310 nan 0.000 0.456 707 T N 0.166 114.808 114.554 0.147 0.000 2.635 707 T HA -0.169 4.182 4.350 0.002 0.000 0.267 707 T C 1.753 176.741 174.700 0.481 0.000 1.040 707 T CA 1.717 64.003 62.100 0.309 0.000 1.156 707 T CB -0.684 68.457 68.868 0.454 0.000 0.863 707 T HN 0.340 nan 8.240 nan 0.000 0.430 708 M N 2.307 122.128 119.600 0.368 0.000 2.229 708 M HA 0.079 4.560 4.480 0.002 0.000 0.264 708 M C 1.979 178.478 176.300 0.331 0.000 1.063 708 M CA 1.274 56.777 55.300 0.337 0.000 1.114 708 M CB -0.994 31.766 32.600 0.266 0.000 1.387 708 M HN 0.302 nan 8.290 nan 0.000 0.420 709 N N 0.438 119.299 118.700 0.268 0.000 2.058 709 N HA -0.174 4.567 4.740 0.002 0.000 0.191 709 N C 1.458 177.111 175.510 0.237 0.000 1.037 709 N CA 2.049 55.235 53.050 0.226 0.000 0.848 709 N CB -0.262 38.321 38.487 0.160 0.000 1.021 709 N HN 0.549 nan 8.380 nan 0.000 0.422 710 E N -1.181 119.180 120.200 0.269 0.000 2.130 710 E HA -0.245 4.106 4.350 0.002 0.000 0.196 710 E C 1.692 178.490 176.600 0.330 0.000 0.998 710 E CA 1.181 57.752 56.400 0.286 0.000 0.806 710 E CB -0.299 29.554 29.700 0.256 0.000 0.738 710 E HN 0.510 nan 8.360 nan 0.000 0.459 711 Y N 1.185 121.638 120.300 0.255 0.000 2.200 711 Y HA -0.190 4.361 4.550 0.002 0.000 0.290 711 Y C 2.003 177.904 175.900 0.002 0.000 1.137 711 Y CA 1.124 59.213 58.100 -0.018 0.000 1.163 711 Y CB 0.015 38.337 38.460 -0.229 0.000 0.988 711 Y HN -0.039 nan 8.280 nan 0.000 0.518 712 I N 0.940 121.569 120.570 0.099 0.000 2.264 712 I HA -0.295 3.875 4.170 0.002 0.000 0.248 712 I C 2.378 178.479 176.117 -0.027 0.000 1.111 712 I CA 1.843 63.154 61.300 0.019 0.000 1.382 712 I CB -1.388 36.693 38.000 0.135 0.000 1.060 712 I HN 0.436 nan 8.210 nan 0.000 0.418 713 E N 0.759 120.980 120.200 0.035 0.000 2.265 713 E HA -0.213 4.138 4.350 0.002 0.000 0.196 713 E C 1.015 177.617 176.600 0.004 0.000 0.996 713 E CA 0.848 57.276 56.400 0.047 0.000 0.832 713 E CB 0.234 29.997 29.700 0.105 0.000 0.756 713 E HN 0.448 nan 8.360 nan 0.000 0.491 714 Q N 0.745 120.497 119.800 -0.081 0.000 2.211 714 Q HA 0.170 4.511 4.340 0.002 0.000 0.231 714 Q C -0.514 175.358 176.000 -0.213 0.000 0.865 714 Q CA 0.104 55.839 55.803 -0.113 0.000 0.997 714 Q CB 0.637 29.300 28.738 -0.125 0.000 1.101 714 Q HN 0.052 nan 8.270 nan 0.000 0.468 715 R N 0.262 120.650 120.500 -0.186 0.000 2.686 715 R HA 0.510 4.851 4.340 0.002 0.000 0.286 715 R C 0.166 176.423 176.300 -0.072 0.000 0.969 715 R CA -0.576 55.422 56.100 -0.171 0.000 0.898 715 R CB 0.475 30.639 30.300 -0.227 0.000 1.183 715 R HN 0.032 nan 8.270 nan 0.000 0.456 716 K N 2.018 122.390 120.400 -0.047 0.000 2.440 716 K HA 0.142 4.463 4.320 0.002 0.000 0.270 716 K C -1.835 174.761 176.600 -0.006 0.000 0.980 716 K CA -0.509 55.768 56.287 -0.017 0.000 0.953 716 K CB -0.712 31.782 32.500 -0.009 0.000 0.925 716 K HN 0.389 nan 8.250 nan 0.000 0.497 717 P HA 0.232 nan 4.420 nan 0.000 0.249 717 P C -0.960 176.347 177.300 0.011 0.000 1.544 717 P CA -0.352 62.752 63.100 0.008 0.000 0.932 717 P CB -0.895 30.813 31.700 0.014 0.000 1.524 718 c N 0.675 119.279 118.600 0.006 0.000 4.209 718 c HA -0.106 4.465 4.570 0.002 0.000 0.305 718 c C 0.899 175.004 174.090 0.025 0.000 1.339 718 c CA 0.839 57.176 56.329 0.014 0.000 2.062 718 c CB -2.846 39.673 42.510 0.015 0.000 1.307 718 c HN 0.535 nan 8.230 nan 0.000 0.706 719 D N -0.792 119.626 120.400 0.030 0.000 2.501 719 D HA 0.236 4.877 4.640 0.002 0.000 0.224 719 D C 0.389 176.718 176.300 0.048 0.000 1.202 719 D CA 0.572 54.594 54.000 0.037 0.000 0.829 719 D CB 0.106 40.927 40.800 0.035 0.000 1.023 719 D HN 0.696 nan 8.370 nan 0.000 0.499 720 T N -1.475 113.110 114.554 0.052 0.000 2.900 720 T HA 0.720 5.071 4.350 0.002 0.000 0.295 720 T C -0.143 174.598 174.700 0.069 0.000 1.044 720 T CA -1.007 61.133 62.100 0.066 0.000 0.995 720 T CB 2.176 71.092 68.868 0.080 0.000 1.072 720 T HN 0.234 nan 8.240 nan 0.000 0.473 721 M N -0.906 118.737 119.600 0.072 0.000 2.470 721 M HA 0.844 5.325 4.480 0.002 0.000 0.285 721 M C -0.834 175.509 176.300 0.072 0.000 1.213 721 M CA -1.165 54.178 55.300 0.073 0.000 0.901 721 M CB 1.522 34.158 32.600 0.060 0.000 1.718 721 M HN 0.791 nan 8.290 nan 0.000 0.469 722 K N 1.577 122.024 120.400 0.078 0.000 2.205 722 K HA 0.750 5.071 4.320 0.002 0.000 0.279 722 K C -0.527 176.101 176.600 0.046 0.000 1.027 722 K CA -0.293 56.034 56.287 0.067 0.000 0.932 722 K CB 0.755 33.302 32.500 0.079 0.000 1.032 722 K HN 1.088 nan 8.250 nan 0.000 0.466 723 V N -1.171 118.761 119.914 0.030 0.000 2.680 723 V HA 0.936 5.057 4.120 0.002 0.000 0.309 723 V C 0.514 176.614 176.094 0.010 0.000 1.052 723 V CA -0.105 62.205 62.300 0.017 0.000 0.908 723 V CB 0.592 32.419 31.823 0.008 0.000 1.001 723 V HN 2.264 nan 8.190 nan 0.000 0.431 724 G N 2.421 111.225 108.800 0.006 0.000 2.888 724 G HA2 0.301 4.262 3.960 0.002 0.000 0.441 724 G HA3 0.301 4.262 3.960 0.002 0.000 0.441 724 G C 0.260 175.163 174.900 0.006 0.000 1.461 724 G CA -0.082 45.020 45.100 0.003 0.000 0.897 724 G HN 2.065 nan 8.290 nan 0.000 0.547 725 G N -0.265 108.537 108.800 0.004 0.000 2.616 725 G HA2 0.506 4.467 3.960 0.002 0.000 0.268 725 G HA3 0.506 4.467 3.960 0.002 0.000 0.268 725 G C 0.311 175.212 174.900 0.002 0.000 1.213 725 G CA -0.017 45.082 45.100 -0.001 0.000 0.926 725 G HN 0.897 nan 8.290 nan 0.000 0.523 726 N N -0.752 117.934 118.700 -0.023 0.000 2.415 726 N HA 0.071 4.812 4.740 0.002 0.000 0.248 726 N C 1.476 176.975 175.510 -0.019 0.000 1.271 726 N CA -0.344 52.676 53.050 -0.049 0.000 0.913 726 N CB 1.181 39.605 38.487 -0.105 0.000 1.129 726 N HN 0.315 nan 8.380 nan 0.000 0.444 727 L N -0.540 120.650 121.223 -0.055 0.000 2.307 727 L HA 0.074 4.415 4.340 0.002 0.000 0.211 727 L C 0.151 176.919 176.870 -0.169 0.000 1.099 727 L CA 0.619 55.472 54.840 0.021 0.000 0.816 727 L CB -0.307 41.738 42.059 -0.022 0.000 0.952 727 L HN 0.603 nan 8.230 nan 0.000 0.455 728 D N -2.420 117.785 120.400 -0.326 0.000 2.626 728 D HA 0.228 4.869 4.640 0.002 0.000 0.278 728 D C -0.923 175.213 176.300 -0.273 0.000 1.211 728 D CA -0.587 53.210 54.000 -0.338 0.000 0.903 728 D CB 1.366 41.795 40.800 -0.617 0.000 1.408 728 D HN -0.318 nan 8.370 nan 0.000 0.454 729 S N -0.471 115.092 115.700 -0.230 0.000 2.448 729 S HA 0.731 5.202 4.470 0.002 0.000 0.320 729 S C 0.346 174.795 174.600 -0.251 0.000 1.071 729 S CA -0.609 57.464 58.200 -0.212 0.000 1.113 729 S CB 0.600 63.709 63.200 -0.152 0.000 0.972 729 S HN 0.780 nan 8.310 nan 0.000 0.465 730 K N 1.108 121.325 120.400 -0.304 0.000 2.270 730 K HA 0.986 5.307 4.320 0.002 0.000 0.248 730 K C 0.215 176.576 176.600 -0.398 0.000 1.076 730 K CA -0.628 55.447 56.287 -0.353 0.000 0.957 730 K CB 0.431 32.684 32.500 -0.412 0.000 1.400 730 K HN 1.105 nan 8.250 nan 0.000 0.573 731 G N -0.720 107.774 108.800 -0.512 0.000 2.433 731 G HA2 0.462 4.423 3.960 0.002 0.000 0.306 731 G HA3 0.462 4.423 3.960 0.002 0.000 0.306 731 G C -1.664 172.893 174.900 -0.573 0.000 1.627 731 G CA -0.710 44.055 45.100 -0.558 0.000 0.893 731 G HN 0.519 nan 8.290 nan 0.000 0.648 732 Y N 0.277 120.291 120.300 -0.477 0.000 2.316 732 Y HA 0.772 5.323 4.550 0.002 0.000 0.324 732 Y C 1.121 176.758 175.900 -0.438 0.000 1.267 732 Y CA 0.055 57.854 58.100 -0.501 0.000 1.311 732 Y CB 1.931 39.986 38.460 -0.674 0.000 1.267 732 Y HN 0.873 nan 8.280 nan 0.000 0.516 733 G N 0.707 109.664 108.800 0.262 0.000 2.677 733 G HA2 0.507 4.468 3.960 0.002 0.000 0.291 733 G HA3 0.507 4.468 3.960 0.002 0.000 0.291 733 G C -1.847 173.452 174.900 0.665 0.000 1.435 733 G CA -0.961 44.464 45.100 0.541 0.000 0.826 733 G HN 0.350 nan 8.290 nan 0.000 0.491 734 I N 1.507 122.351 120.570 0.457 0.000 2.396 734 I HA 0.418 4.589 4.170 0.002 0.000 0.289 734 I C 0.919 177.065 176.117 0.048 0.000 1.056 734 I CA -0.582 60.832 61.300 0.190 0.000 1.365 734 I CB 0.594 38.631 38.000 0.063 0.000 1.407 734 I HN 0.554 nan 8.210 nan 0.000 0.509 735 A N 5.226 127.981 122.820 -0.108 0.000 2.301 735 A HA 0.612 4.933 4.320 0.002 0.000 0.298 735 A C 0.218 177.620 177.584 -0.303 0.000 1.185 735 A CA -0.342 51.434 52.037 -0.435 0.000 0.830 735 A CB 0.823 19.465 19.000 -0.597 0.000 1.112 735 A HN 0.717 nan 8.150 nan 0.000 0.508 736 T N 3.265 117.628 114.554 -0.319 0.000 2.886 736 T HA 0.628 4.978 4.350 0.002 0.000 0.292 736 T C -3.028 171.526 174.700 -0.243 0.000 1.012 736 T CA -1.786 60.175 62.100 -0.232 0.000 0.982 736 T CB 1.263 70.031 68.868 -0.167 0.000 1.018 736 T HN 0.332 nan 8.240 nan 0.000 0.451 737 P HA 0.196 nan 4.420 nan 0.000 0.263 737 P C -0.409 176.789 177.300 -0.170 0.000 1.175 737 P CA 0.183 63.161 63.100 -0.204 0.000 0.761 737 P CB 0.063 31.664 31.700 -0.165 0.000 0.794 738 K N 2.573 122.871 120.400 -0.170 0.000 2.491 738 K HA 0.342 4.663 4.320 0.002 0.000 0.279 738 K C 1.222 177.765 176.600 -0.095 0.000 1.026 738 K CA 0.306 56.517 56.287 -0.127 0.000 1.070 738 K CB -1.464 30.965 32.500 -0.119 0.000 0.887 738 K HN 1.009 nan 8.250 nan 0.000 0.481 739 G N 1.105 109.859 108.800 -0.077 0.000 2.256 739 G HA2 -0.167 3.794 3.960 0.002 0.000 0.272 739 G HA3 -0.167 3.794 3.960 0.002 0.000 0.272 739 G C 0.312 175.174 174.900 -0.064 0.000 1.076 739 G CA 0.556 45.620 45.100 -0.059 0.000 0.882 739 G HN 1.575 nan 8.290 nan 0.000 0.497 740 S N -1.065 114.589 115.700 -0.077 0.000 2.672 740 S HA 0.721 5.191 4.470 0.002 0.000 0.276 740 S C 1.902 176.461 174.600 -0.069 0.000 1.207 740 S CA 0.696 58.847 58.200 -0.082 0.000 1.002 740 S CB 1.191 64.326 63.200 -0.108 0.000 0.998 740 S HN 1.336 nan 8.310 nan 0.000 0.542 741 S N 2.536 118.194 115.700 -0.071 0.000 2.414 741 S HA 0.068 4.538 4.470 0.002 0.000 0.227 741 S C 1.669 176.232 174.600 -0.061 0.000 1.022 741 S CA 0.401 58.567 58.200 -0.057 0.000 0.958 741 S CB -0.612 62.557 63.200 -0.053 0.000 0.797 741 S HN 0.675 nan 8.310 nan 0.000 0.493 742 L N 1.667 122.833 121.223 -0.096 0.000 2.552 742 L HA 0.162 4.503 4.340 0.002 0.000 0.227 742 L C 2.624 179.455 176.870 -0.065 0.000 1.146 742 L CA 0.336 55.114 54.840 -0.103 0.000 0.858 742 L CB -1.158 40.783 42.059 -0.198 0.000 0.969 742 L HN 0.490 nan 8.230 nan 0.000 0.451 743 G N 0.681 109.444 108.800 -0.063 0.000 2.739 743 G HA2 -0.321 3.640 3.960 0.002 0.000 0.216 743 G HA3 -0.321 3.640 3.960 0.002 0.000 0.216 743 G C 1.464 176.352 174.900 -0.019 0.000 1.298 743 G CA 1.572 46.643 45.100 -0.048 0.000 0.804 743 G HN 0.245 nan 8.290 nan 0.000 0.623 744 T N 2.538 117.086 114.554 -0.011 0.000 2.665 744 T HA -0.093 4.258 4.350 0.002 0.000 0.268 744 T C 0.305 175.015 174.700 0.017 0.000 1.035 744 T CA 1.899 64.002 62.100 0.004 0.000 1.151 744 T CB -1.076 67.795 68.868 0.005 0.000 0.862 744 T HN 0.259 nan 8.240 nan 0.000 0.438 745 P HA -0.056 nan 4.420 nan 0.000 0.214 745 P C 1.749 179.081 177.300 0.054 0.000 1.163 745 P CA 0.681 63.809 63.100 0.046 0.000 0.889 745 P CB -0.297 31.438 31.700 0.059 0.000 0.790 746 V N 0.042 119.984 119.914 0.047 0.000 2.332 746 V HA -0.278 3.843 4.120 0.002 0.000 0.248 746 V C 2.408 178.524 176.094 0.037 0.000 1.055 746 V CA 2.301 64.630 62.300 0.049 0.000 1.038 746 V CB -1.489 30.349 31.823 0.025 0.000 0.651 746 V HN 0.174 nan 8.190 nan 0.000 0.450 747 N N 0.586 119.305 118.700 0.032 0.000 2.036 747 N HA -0.193 4.548 4.740 0.002 0.000 0.195 747 N C 1.651 177.180 175.510 0.032 0.000 1.037 747 N CA 2.004 55.077 53.050 0.039 0.000 0.855 747 N CB -0.404 38.102 38.487 0.032 0.000 1.033 747 N HN 0.460 nan 8.380 nan 0.000 0.423 748 L N -0.332 120.906 121.223 0.024 0.000 2.083 748 L HA -0.081 4.260 4.340 0.002 0.000 0.209 748 L C 2.493 179.359 176.870 -0.007 0.000 1.083 748 L CA 1.159 56.008 54.840 0.015 0.000 0.752 748 L CB -0.706 41.366 42.059 0.022 0.000 0.899 748 L HN 0.233 nan 8.230 nan 0.000 0.433 749 A N -0.017 122.799 122.820 -0.007 0.000 1.908 749 A HA -0.160 4.161 4.320 0.002 0.000 0.218 749 A C 2.362 179.887 177.584 -0.099 0.000 1.181 749 A CA 1.929 53.923 52.037 -0.071 0.000 0.627 749 A CB -0.853 18.142 19.000 -0.009 0.000 0.818 749 A HN 0.194 nan 8.150 nan 0.000 0.445 750 V N 0.066 119.967 119.914 -0.021 0.000 2.343 750 V HA -0.265 3.856 4.120 0.002 0.000 0.247 750 V C 2.562 178.667 176.094 0.019 0.000 1.051 750 V CA 1.976 64.288 62.300 0.021 0.000 1.036 750 V CB -0.786 31.096 31.823 0.098 0.000 0.654 750 V HN 0.571 nan 8.190 nan 0.000 0.451 751 L N -0.281 120.949 121.223 0.012 0.000 2.083 751 L HA -0.211 4.130 4.340 0.002 0.000 0.209 751 L C 2.595 179.455 176.870 -0.016 0.000 1.083 751 L CA 1.877 56.723 54.840 0.010 0.000 0.752 751 L CB -0.575 41.491 42.059 0.011 0.000 0.899 751 L HN 0.316 nan 8.230 nan 0.000 0.433 752 K N 0.576 120.942 120.400 -0.056 0.000 2.057 752 K HA -0.158 4.163 4.320 0.002 0.000 0.206 752 K C 2.153 178.690 176.600 -0.105 0.000 1.050 752 K CA 1.160 57.394 56.287 -0.089 0.000 0.935 752 K CB -0.029 32.378 32.500 -0.156 0.000 0.715 752 K HN 0.220 nan 8.250 nan 0.000 0.439 753 L N 0.926 122.064 121.223 -0.141 0.000 2.046 753 L HA -0.188 4.153 4.340 0.002 0.000 0.208 753 L C 2.664 179.531 176.870 -0.004 0.000 1.077 753 L CA 1.580 56.364 54.840 -0.093 0.000 0.747 753 L CB -0.616 41.389 42.059 -0.091 0.000 0.896 753 L HN 0.357 nan 8.230 nan 0.000 0.432 754 S N -0.551 115.161 115.700 0.020 0.000 2.368 754 S HA -0.185 4.286 4.470 0.002 0.000 0.224 754 S C 1.714 176.333 174.600 0.032 0.000 1.029 754 S CA 1.013 59.242 58.200 0.049 0.000 0.988 754 S CB -0.350 62.885 63.200 0.059 0.000 0.838 754 S HN 0.467 nan 8.310 nan 0.000 0.462 755 E N 1.218 121.428 120.200 0.016 0.000 2.150 755 E HA -0.080 4.271 4.350 0.002 0.000 0.193 755 E C 2.065 178.676 176.600 0.018 0.000 0.985 755 E CA 0.960 57.369 56.400 0.015 0.000 0.814 755 E CB -0.186 29.519 29.700 0.009 0.000 0.752 755 E HN 0.700 nan 8.360 nan 0.000 0.466 756 Q N -0.376 119.435 119.800 0.017 0.000 2.444 756 Q HA 0.047 4.388 4.340 0.002 0.000 0.206 756 Q C 0.949 176.971 176.000 0.036 0.000 0.948 756 Q CA 0.371 56.190 55.803 0.027 0.000 0.946 756 Q CB 0.549 29.305 28.738 0.030 0.000 1.027 756 Q HN 0.388 nan 8.270 nan 0.000 0.513 757 G N 1.328 110.151 108.800 0.039 0.000 2.180 757 G HA2 -0.325 3.635 3.960 0.002 0.000 0.263 757 G HA3 -0.325 3.635 3.960 0.002 0.000 0.263 757 G C 0.552 175.493 174.900 0.068 0.000 0.989 757 G CA 0.588 45.719 45.100 0.052 0.000 0.692 757 G HN 0.471 nan 8.290 nan 0.000 0.526 758 L N -0.541 120.719 121.223 0.062 0.000 2.109 758 L HA 0.171 4.512 4.340 0.002 0.000 0.207 758 L C 2.870 179.799 176.870 0.100 0.000 1.086 758 L CA 1.460 56.342 54.840 0.070 0.000 0.760 758 L CB -0.173 41.915 42.059 0.048 0.000 0.910 758 L HN 0.427 nan 8.230 nan 0.000 0.437 759 L N -0.634 120.660 121.223 0.119 0.000 2.005 759 L HA -0.228 4.113 4.340 0.002 0.000 0.207 759 L C 2.209 179.238 176.870 0.264 0.000 1.072 759 L CA 1.292 56.258 54.840 0.210 0.000 0.744 759 L CB -0.807 41.394 42.059 0.236 0.000 0.895 759 L HN 0.265 nan 8.230 nan 0.000 0.433 760 D N 0.096 120.602 120.400 0.176 0.000 2.149 760 D HA -0.215 4.426 4.640 0.002 0.000 0.198 760 D C 2.059 178.469 176.300 0.183 0.000 0.990 760 D CA 1.162 55.253 54.000 0.152 0.000 0.839 760 D CB -0.108 40.748 40.800 0.094 0.000 0.948 760 D HN 0.240 nan 8.370 nan 0.000 0.460 761 K N 0.569 121.067 120.400 0.163 0.000 2.026 761 K HA -0.101 4.220 4.320 0.002 0.000 0.208 761 K C 2.255 178.988 176.600 0.223 0.000 1.048 761 K CA 0.709 57.089 56.287 0.156 0.000 0.929 761 K CB -0.195 32.371 32.500 0.110 0.000 0.713 761 K HN 0.107 nan 8.250 nan 0.000 0.439 762 L N 1.094 122.483 121.223 0.276 0.000 2.042 762 L HA -0.214 4.127 4.340 0.002 0.000 0.210 762 L C 2.789 180.094 176.870 0.725 0.000 1.076 762 L CA 1.576 56.664 54.840 0.413 0.000 0.749 762 L CB -0.449 41.732 42.059 0.204 0.000 0.893 762 L HN 0.299 nan 8.230 nan 0.000 0.432 763 K N 0.222 121.033 120.400 0.686 0.000 2.026 763 K HA -0.204 4.117 4.320 0.002 0.000 0.208 763 K C 1.897 178.818 176.600 0.534 0.000 1.048 763 K CA 1.769 58.368 56.287 0.520 0.000 0.929 763 K CB -0.008 32.487 32.500 -0.008 0.000 0.713 763 K HN 0.246 nan 8.250 nan 0.000 0.439 764 N N 1.231 120.169 118.700 0.397 0.000 2.205 764 N HA -0.192 4.549 4.740 0.002 0.000 0.186 764 N C 1.506 177.211 175.510 0.326 0.000 1.015 764 N CA 1.128 54.427 53.050 0.415 0.000 0.862 764 N CB -0.142 38.514 38.487 0.281 0.000 0.986 764 N HN 0.316 nan 8.380 nan 0.000 0.429 765 K N -0.632 119.912 120.400 0.241 0.000 2.097 765 K HA -0.102 4.219 4.320 0.002 0.000 0.205 765 K C 1.182 177.706 176.600 -0.127 0.000 1.050 765 K CA 1.057 57.328 56.287 -0.026 0.000 0.938 765 K CB -0.065 32.314 32.500 -0.202 0.000 0.718 765 K HN 0.205 nan 8.250 nan 0.000 0.442 766 W N -1.135 120.335 121.300 0.282 0.000 2.907 766 W HA 0.147 4.808 4.660 0.001 0.000 0.271 766 W C 1.856 178.388 176.519 0.023 0.000 1.253 766 W CA -0.723 56.700 57.345 0.130 0.000 1.501 766 W CB 0.069 29.566 29.460 0.061 0.000 1.047 766 W HN 0.111 nan 8.180 nan 0.000 0.610 767 W N -1.495 119.880 121.300 0.124 0.000 2.633 767 W HA -0.035 4.626 4.660 0.002 0.000 0.295 767 W C 1.526 177.870 176.519 -0.291 0.000 1.133 767 W CA 1.087 58.338 57.345 -0.157 0.000 1.490 767 W CB -0.807 28.350 29.460 -0.505 0.000 1.127 767 W HN -0.095 nan 8.180 nan 0.000 0.538 768 Y N 0.222 120.716 120.300 0.324 0.000 2.422 768 Y HA -0.013 4.538 4.550 0.002 0.000 0.291 768 Y C 2.147 178.104 175.900 0.095 0.000 1.144 768 Y CA 0.565 58.768 58.100 0.172 0.000 1.208 768 Y CB -1.084 37.464 38.460 0.146 0.000 1.195 768 Y HN -0.250 nan 8.280 nan 0.000 0.535 769 D N 0.602 121.142 120.400 0.233 0.000 2.084 769 D HA -0.151 4.490 4.640 0.002 0.000 0.194 769 D C 1.760 178.082 176.300 0.036 0.000 0.990 769 D CA 1.483 55.543 54.000 0.101 0.000 0.826 769 D CB -0.164 40.664 40.800 0.048 0.000 0.971 769 D HN 0.021 nan 8.370 nan 0.000 0.453 770 K N 0.522 120.925 120.400 0.005 0.000 2.525 770 K HA 0.143 4.464 4.320 0.002 0.000 0.192 770 K C 0.764 177.370 176.600 0.010 0.000 1.029 770 K CA -0.076 56.196 56.287 -0.025 0.000 1.029 770 K CB -0.099 32.361 32.500 -0.068 0.000 0.814 770 K HN 0.089 nan 8.250 nan 0.000 0.503 771 G N 0.208 109.024 108.800 0.027 0.000 2.636 771 G HA2 -0.005 3.956 3.960 0.002 0.000 0.246 771 G HA3 -0.005 3.956 3.960 0.002 0.000 0.246 771 G C -0.188 174.708 174.900 -0.008 0.000 1.216 771 G CA -0.381 44.712 45.100 -0.012 0.000 0.854 771 G HN 0.381 nan 8.290 nan 0.000 0.572 772 E N -1.253 118.925 120.200 -0.037 0.000 2.498 772 E HA 0.134 4.485 4.350 0.002 0.000 0.203 772 E C -0.380 176.218 176.600 -0.003 0.000 1.013 772 E CA -0.051 56.338 56.400 -0.019 0.000 0.927 772 E CB 0.660 30.339 29.700 -0.035 0.000 1.012 772 E HN 0.258 nan 8.360 nan 0.000 0.482 773 c N 1.540 120.145 118.600 0.010 0.000 2.814 773 c HA 0.412 4.983 4.570 0.002 0.000 0.269 773 c C 0.768 174.895 174.090 0.061 0.000 1.090 773 c CA -1.244 55.101 56.329 0.028 0.000 1.492 773 c CB 0.040 42.561 42.510 0.019 0.000 1.825 773 c HN 0.321 nan 8.230 nan 0.000 0.442 774 G N 1.599 110.432 108.800 0.054 0.000 2.367 774 G HA2 0.408 4.369 3.960 0.002 0.000 0.282 774 G HA3 0.408 4.369 3.960 0.002 0.000 0.282 774 G C 0.942 175.873 174.900 0.051 0.000 1.140 774 G CA 0.586 45.722 45.100 0.060 0.000 1.088 774 G HN 0.954 nan 8.290 nan 0.000 0.431 775 A N 3.425 126.282 122.820 0.062 0.000 1.858 775 A HA 0.060 4.380 4.320 0.002 0.000 0.216 775 A C 2.578 180.180 177.584 0.031 0.000 1.190 775 A CA 2.425 54.492 52.037 0.050 0.000 0.617 775 A CB -0.583 18.453 19.000 0.061 0.000 0.827 775 A HN 0.909 nan 8.150 nan 0.000 0.443 776 K N -1.177 119.235 120.400 0.019 0.000 2.439 776 K HA 0.159 4.480 4.320 0.002 0.000 0.197 776 K C 1.499 178.106 176.600 0.013 0.000 1.041 776 K CA 1.792 58.085 56.287 0.011 0.000 0.970 776 K CB -1.652 30.847 32.500 -0.001 0.000 0.773 776 K HN 0.801 nan 8.250 nan 0.000 0.479 777 D N -0.824 119.587 120.400 0.018 0.000 2.301 777 D HA 0.257 4.898 4.640 0.002 0.000 0.206 777 D C 2.345 178.656 176.300 0.018 0.000 0.979 777 D CA 1.211 55.221 54.000 0.017 0.000 0.874 777 D CB -0.356 40.456 40.800 0.020 0.000 0.968 777 D HN 0.610 nan 8.370 nan 0.000 0.510 778 S N 0.009 115.722 115.700 0.022 0.000 2.461 778 S HA 0.360 4.831 4.470 0.002 0.000 0.228 778 S C 2.308 176.921 174.600 0.020 0.000 1.005 778 S CA 1.488 59.701 58.200 0.022 0.000 0.942 778 S CB -0.233 62.983 63.200 0.026 0.000 0.776 778 S HN 0.538 nan 8.310 nan 0.000 0.514 779 G N 0.032 108.844 108.800 0.020 0.000 2.603 779 G HA2 0.365 4.326 3.960 0.002 0.000 0.214 779 G HA3 0.365 4.326 3.960 0.002 0.000 0.214 779 G C 1.486 176.395 174.900 0.015 0.000 1.140 779 G CA 1.185 46.296 45.100 0.019 0.000 0.800 779 G HN 0.678 nan 8.290 nan 0.000 0.533 780 S N -0.255 115.453 115.700 0.013 0.000 2.558 780 S HA 0.455 4.926 4.470 0.002 0.000 0.217 780 S C 1.761 176.367 174.600 0.011 0.000 0.975 780 S CA 1.355 59.562 58.200 0.011 0.000 0.912 780 S CB -0.104 63.101 63.200 0.009 0.000 0.776 780 S HN 0.525 nan 8.310 nan 0.000 0.526 781 K N 0.319 120.727 120.400 0.013 0.000 2.469 781 K HA 0.649 4.970 4.320 0.002 0.000 0.204 781 K C 0.157 176.765 176.600 0.013 0.000 1.047 781 K CA 0.622 56.916 56.287 0.012 0.000 1.072 781 K CB -0.584 31.924 32.500 0.012 0.000 0.863 781 K HN 0.711 nan 8.250 nan 0.000 0.530 782 E N 0.424 120.632 120.200 0.015 0.000 2.171 782 E HA 0.689 5.040 4.350 0.002 0.000 0.271 782 E C -0.133 176.477 176.600 0.016 0.000 0.916 782 E CA -0.136 56.274 56.400 0.016 0.000 0.774 782 E CB 0.978 30.689 29.700 0.018 0.000 1.128 782 E HN 0.857 nan 8.360 nan 0.000 0.403 783 K N -0.475 119.935 120.400 0.016 0.000 2.409 783 K HA 1.021 5.342 4.320 0.002 0.000 0.252 783 K C 0.231 176.841 176.600 0.017 0.000 1.036 783 K CA -0.117 56.179 56.287 0.016 0.000 0.871 783 K CB 1.300 33.808 32.500 0.013 0.000 1.374 783 K HN 1.534 nan 8.250 nan 0.000 0.459 784 T N -0.814 113.751 114.554 0.018 0.000 2.916 784 T HA 0.699 5.050 4.350 0.002 0.000 0.298 784 T C 0.066 174.778 174.700 0.019 0.000 1.031 784 T CA 0.120 62.233 62.100 0.020 0.000 0.993 784 T CB 1.154 70.037 68.868 0.025 0.000 1.045 784 T HN 1.640 nan 8.240 nan 0.000 0.454 785 S N 0.570 116.281 115.700 0.019 0.000 2.486 785 S HA 0.791 5.262 4.470 0.002 0.000 0.144 785 S C -0.144 174.467 174.600 0.019 0.000 1.542 785 S CA 0.174 58.385 58.200 0.018 0.000 1.262 785 S CB -0.290 62.918 63.200 0.015 0.000 1.462 785 S HN 2.042 nan 8.310 nan 0.000 0.381 786 A N 1.680 124.514 122.820 0.022 0.000 2.594 786 A HA 0.812 5.133 4.320 0.002 0.000 0.296 786 A C -1.934 175.667 177.584 0.028 0.000 1.056 786 A CA -0.411 51.639 52.037 0.023 0.000 0.693 786 A CB 1.046 20.058 19.000 0.020 0.000 1.278 786 A HN 0.996 nan 8.150 nan 0.000 0.408 787 L N 1.592 122.833 121.223 0.030 0.000 2.362 787 L HA 0.769 5.110 4.340 0.002 0.000 0.275 787 L C 0.067 176.958 176.870 0.035 0.000 0.998 787 L CA -0.181 54.682 54.840 0.038 0.000 0.820 787 L CB 1.809 43.894 42.059 0.043 0.000 1.270 787 L HN 0.901 nan 8.230 nan 0.000 0.415 788 S N 2.570 118.294 115.700 0.040 0.000 2.693 788 S HA 0.363 4.834 4.470 0.002 0.000 0.276 788 S C 0.513 175.134 174.600 0.035 0.000 1.192 788 S CA -0.489 57.730 58.200 0.032 0.000 0.994 788 S CB 1.354 64.573 63.200 0.031 0.000 1.012 788 S HN 0.668 nan 8.310 nan 0.000 0.550 789 L N 2.918 124.152 121.223 0.018 0.000 2.463 789 L HA 0.205 4.546 4.340 0.002 0.000 0.219 789 L C 2.278 179.162 176.870 0.022 0.000 1.088 789 L CA 1.823 56.668 54.840 0.008 0.000 0.849 789 L CB -0.942 41.097 42.059 -0.034 0.000 1.012 789 L HN 0.861 nan 8.230 nan 0.000 0.468 790 S N 0.285 115.999 115.700 0.024 0.000 2.389 790 S HA -0.332 4.139 4.470 0.002 0.000 0.229 790 S C 1.990 176.613 174.600 0.039 0.000 1.048 790 S CA 1.865 60.080 58.200 0.026 0.000 1.117 790 S CB -1.262 61.949 63.200 0.019 0.000 1.020 790 S HN 0.624 nan 8.310 nan 0.000 0.430 791 N N 1.772 120.506 118.700 0.058 0.000 2.069 791 N HA -0.096 4.645 4.740 0.002 0.000 0.191 791 N C 1.697 177.240 175.510 0.054 0.000 1.031 791 N CA 1.926 55.023 53.050 0.078 0.000 0.852 791 N CB -1.019 37.553 38.487 0.141 0.000 1.018 791 N HN 0.398 nan 8.380 nan 0.000 0.423 792 V N 1.059 121.032 119.914 0.098 0.000 2.490 792 V HA -0.154 3.966 4.120 0.002 0.000 0.250 792 V C 2.493 178.734 176.094 0.245 0.000 1.061 792 V CA 1.636 64.027 62.300 0.152 0.000 1.064 792 V CB -1.229 30.718 31.823 0.206 0.000 0.670 792 V HN 0.442 nan 8.190 nan 0.000 0.461 793 A N 0.933 123.850 122.820 0.162 0.000 1.902 793 A HA -0.091 4.230 4.320 0.002 0.000 0.217 793 A C 2.455 180.221 177.584 0.304 0.000 1.181 793 A CA 1.845 54.002 52.037 0.200 0.000 0.623 793 A CB -1.227 17.863 19.000 0.151 0.000 0.818 793 A HN 0.525 nan 8.150 nan 0.000 0.443 794 G N -0.675 108.194 108.800 0.115 0.000 2.462 794 G HA2 -0.110 3.851 3.960 0.002 0.000 0.220 794 G HA3 -0.110 3.851 3.960 0.002 0.000 0.220 794 G C 1.335 176.177 174.900 -0.097 0.000 1.121 794 G CA 1.334 46.431 45.100 -0.006 0.000 0.758 794 G HN 0.389 nan 8.290 nan 0.000 0.559 795 V N -0.364 119.440 119.914 -0.183 0.000 3.129 795 V HA 0.105 4.226 4.120 0.002 0.000 0.259 795 V C 2.205 178.186 176.094 -0.189 0.000 1.116 795 V CA 0.673 62.798 62.300 -0.291 0.000 1.127 795 V CB -0.485 31.113 31.823 -0.374 0.000 0.742 795 V HN 0.288 nan 8.190 nan 0.000 0.474 796 F N -0.683 119.189 119.950 -0.130 0.000 2.234 796 F HA -0.032 4.496 4.527 0.002 0.000 0.296 796 F C 2.198 177.877 175.800 -0.203 0.000 1.089 796 F CA 1.475 59.366 58.000 -0.181 0.000 1.343 796 F CB -0.456 38.389 39.000 -0.260 0.000 1.040 796 F HN 0.113 nan 8.300 nan 0.000 0.498 797 Y N -0.630 119.708 120.300 0.064 0.000 2.242 797 Y HA -0.192 4.359 4.550 0.002 0.000 0.291 797 Y C 2.451 178.324 175.900 -0.045 0.000 1.137 797 Y CA 1.249 59.349 58.100 -0.001 0.000 1.181 797 Y CB -0.524 37.917 38.460 -0.032 0.000 0.989 797 Y HN 0.035 nan 8.280 nan 0.000 0.527 798 I N -0.588 120.016 120.570 0.058 0.000 2.676 798 I HA -0.217 3.954 4.170 0.002 0.000 0.259 798 I C 2.003 178.090 176.117 -0.051 0.000 1.194 798 I CA 0.722 62.007 61.300 -0.026 0.000 1.473 798 I CB 0.052 37.994 38.000 -0.096 0.000 1.096 798 I HN 0.256 nan 8.210 nan 0.000 0.443 799 L N 0.129 121.306 121.223 -0.075 0.000 2.007 799 L HA -0.081 4.260 4.340 0.002 0.000 0.205 799 L C 2.295 179.135 176.870 -0.049 0.000 1.073 799 L CA 1.796 56.580 54.840 -0.093 0.000 0.744 799 L CB -0.700 41.257 42.059 -0.169 0.000 0.898 799 L HN 0.011 nan 8.230 nan 0.000 0.435 800 V N 0.612 120.505 119.914 -0.033 0.000 2.469 800 V HA -0.222 3.899 4.120 0.002 0.000 0.251 800 V C 2.621 178.715 176.094 0.001 0.000 1.064 800 V CA 1.731 64.022 62.300 -0.015 0.000 1.066 800 V CB -1.748 30.062 31.823 -0.021 0.000 0.667 800 V HN 0.662 nan 8.190 nan 0.000 0.461 801 G N 0.053 108.859 108.800 0.011 0.000 2.422 801 G HA2 -0.131 3.830 3.960 0.002 0.000 0.218 801 G HA3 -0.131 3.830 3.960 0.002 0.000 0.218 801 G C 1.594 176.493 174.900 -0.001 0.000 1.146 801 G CA 0.881 45.988 45.100 0.012 0.000 0.769 801 G HN 0.584 nan 8.290 nan 0.000 0.547 802 G N 0.748 109.540 108.800 -0.013 0.000 2.403 802 G HA2 -0.073 3.888 3.960 0.002 0.000 0.216 802 G HA3 -0.073 3.888 3.960 0.002 0.000 0.216 802 G C 1.789 176.686 174.900 -0.005 0.000 1.154 802 G CA 0.568 45.660 45.100 -0.014 0.000 0.784 802 G HN 0.417 nan 8.290 nan 0.000 0.538 803 L N 0.756 121.975 121.223 -0.006 0.000 2.046 803 L HA 0.021 4.362 4.340 0.002 0.000 0.208 803 L C 3.157 180.033 176.870 0.009 0.000 1.077 803 L CA 1.077 55.918 54.840 0.002 0.000 0.747 803 L CB -0.675 41.383 42.059 -0.003 0.000 0.896 803 L HN 0.313 nan 8.230 nan 0.000 0.432 804 G N 0.140 108.945 108.800 0.009 0.000 2.418 804 G HA2 -0.267 3.694 3.960 0.002 0.000 0.217 804 G HA3 -0.267 3.694 3.960 0.002 0.000 0.217 804 G C 1.579 176.489 174.900 0.016 0.000 1.158 804 G CA 0.621 45.729 45.100 0.013 0.000 0.771 804 G HN 0.213 nan 8.290 nan 0.000 0.545 805 L N 1.355 122.586 121.223 0.013 0.000 2.083 805 L HA 0.145 4.486 4.340 0.002 0.000 0.209 805 L C 2.961 179.844 176.870 0.022 0.000 1.083 805 L CA 2.114 56.962 54.840 0.015 0.000 0.752 805 L CB -0.628 41.435 42.059 0.008 0.000 0.899 805 L HN 0.224 nan 8.230 nan 0.000 0.433 806 A N -1.065 121.768 122.820 0.022 0.000 1.897 806 A HA -0.139 4.182 4.320 0.002 0.000 0.215 806 A C 2.136 179.747 177.584 0.044 0.000 1.181 806 A CA 1.699 53.754 52.037 0.031 0.000 0.620 806 A CB -0.479 18.538 19.000 0.028 0.000 0.821 806 A HN 0.441 nan 8.150 nan 0.000 0.443 807 M N -0.912 118.711 119.600 0.039 0.000 2.358 807 M HA -0.068 4.413 4.480 0.002 0.000 0.264 807 M C 1.958 178.288 176.300 0.051 0.000 1.064 807 M CA 1.012 56.340 55.300 0.047 0.000 1.093 807 M CB -1.137 31.481 32.600 0.030 0.000 1.401 807 M HN 0.461 nan 8.290 nan 0.000 0.440 808 L N -0.388 120.860 121.223 0.042 0.000 2.127 808 L HA 0.025 4.365 4.340 0.002 0.000 0.203 808 L C 2.164 179.065 176.870 0.052 0.000 1.080 808 L CA 1.105 55.969 54.840 0.040 0.000 0.768 808 L CB -0.491 41.585 42.059 0.029 0.000 0.924 808 L HN -0.013 nan 8.230 nan 0.000 0.444 809 V N 0.180 120.125 119.914 0.052 0.000 2.626 809 V HA -0.190 3.931 4.120 0.002 0.000 0.252 809 V C 2.723 178.856 176.094 0.065 0.000 1.067 809 V CA 1.310 63.644 62.300 0.056 0.000 1.081 809 V CB -1.244 30.604 31.823 0.041 0.000 0.686 809 V HN 0.548 nan 8.190 nan 0.000 0.468 810 A N 0.136 123.010 122.820 0.090 0.000 1.855 810 A HA -0.116 4.205 4.320 0.002 0.000 0.215 810 A C 2.201 179.946 177.584 0.268 0.000 1.191 810 A CA 1.593 53.724 52.037 0.157 0.000 0.613 810 A CB -0.514 18.619 19.000 0.221 0.000 0.829 810 A HN 0.466 nan 8.150 nan 0.000 0.442 811 L N 0.199 121.545 121.223 0.206 0.000 2.012 811 L HA -0.229 4.112 4.340 0.002 0.000 0.210 811 L C 2.676 179.615 176.870 0.114 0.000 1.073 811 L CA 1.887 56.836 54.840 0.182 0.000 0.748 811 L CB -0.803 41.298 42.059 0.070 0.000 0.891 811 L HN 0.692 nan 8.230 nan 0.000 0.431 812 I N -2.452 118.139 120.570 0.036 0.000 2.286 812 I HA -0.226 3.945 4.170 0.002 0.000 0.248 812 I C 2.119 178.195 176.117 -0.069 0.000 1.115 812 I CA 1.435 62.678 61.300 -0.095 0.000 1.392 812 I CB -0.524 37.482 38.000 0.009 0.000 1.065 812 I HN 0.266 nan 8.210 nan 0.000 0.418 813 E N 1.168 121.401 120.200 0.055 0.000 2.051 813 E HA -0.173 4.178 4.350 0.002 0.000 0.192 813 E C 2.051 178.604 176.600 -0.078 0.000 0.991 813 E CA 1.616 58.024 56.400 0.012 0.000 0.799 813 E CB -0.293 29.297 29.700 -0.184 0.000 0.748 813 E HN 0.575 nan 8.360 nan 0.000 0.449 814 F N 0.235 120.196 119.950 0.017 0.000 2.293 814 F HA -0.190 4.338 4.527 0.002 0.000 0.300 814 F C 2.403 178.185 175.800 -0.031 0.000 1.086 814 F CA 0.389 58.390 58.000 0.001 0.000 1.375 814 F CB -0.203 38.791 39.000 -0.010 0.000 1.045 814 F HN 0.133 nan 8.300 nan 0.000 0.516 815 C N -1.113 118.216 119.300 0.048 0.000 2.476 815 C HA -0.161 4.300 4.460 0.002 0.000 0.278 815 C C 2.568 177.499 174.990 -0.099 0.000 1.274 815 C CA 0.569 59.531 59.018 -0.094 0.000 1.713 815 C CB -1.226 26.355 27.740 -0.264 0.000 2.039 815 C HN 0.456 nan 8.230 nan 0.000 0.484 816 Y N 1.759 122.076 120.300 0.029 0.000 2.224 816 Y HA -0.046 4.505 4.550 0.002 0.000 0.289 816 Y C 1.981 177.887 175.900 0.009 0.000 1.146 816 Y CA 1.314 59.420 58.100 0.010 0.000 1.182 816 Y CB -0.650 37.804 38.460 -0.009 0.000 0.983 816 Y HN 0.320 nan 8.280 nan 0.000 0.524 817 K N 0.000 120.491 120.400 0.151 0.000 2.780 817 K HA 0.000 4.321 4.320 0.002 0.000 0.191 817 K CA 0.000 56.343 56.287 0.093 0.000 0.838 817 K CB 0.000 32.534 32.500 0.056 0.000 1.064 817 K HN 0.000 nan 8.250 nan 0.000 0.543