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_A 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 0.098 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 3.048 118.790 115.700 0.070 0.000 2.520 11 S HA 0.503 4.972 4.470 -0.002 0.000 0.324 11 S C -0.370 174.276 174.600 0.078 0.000 1.069 11 S CA -0.534 57.718 58.200 0.088 0.000 1.121 11 S CB 0.179 63.432 63.200 0.088 0.000 0.971 11 S HN 0.378 nan 8.310 nan 0.000 0.463 12 I N 4.440 125.052 120.570 0.070 0.000 2.306 12 I HA 0.365 4.534 4.170 -0.002 0.000 0.288 12 I C 0.784 177.023 176.117 0.203 0.000 1.036 12 I CA -0.498 60.813 61.300 0.019 0.000 1.221 12 I CB 0.998 38.929 38.000 -0.114 0.000 1.385 12 I HN 0.663 nan 8.210 nan 0.000 0.472 13 Q N 8.210 128.228 119.800 0.363 0.000 2.288 13 Q HA 0.619 4.958 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 -0.269 55.703 55.803 0.282 0.000 0.919 13 Q CB 1.439 30.286 28.738 0.180 0.000 1.185 13 Q HN 0.747 nan 8.270 nan 0.000 0.408 14 I N -1.336 119.389 120.570 0.257 0.000 2.934 14 I HA 0.946 5.115 4.170 -0.002 0.000 0.306 14 I C 0.308 176.580 176.117 0.259 0.000 1.110 14 I CA -1.474 59.980 61.300 0.258 0.000 1.019 14 I CB 2.596 40.759 38.000 0.272 0.000 1.227 14 I HN 0.608 nan 8.210 nan 0.000 0.434 15 G N 1.050 109.993 108.800 0.237 0.000 2.412 15 G HA2 0.633 4.592 3.960 -0.002 0.000 0.318 15 G HA3 0.633 4.592 3.960 -0.002 0.000 0.318 15 G C -0.562 174.502 174.900 0.272 0.000 1.146 15 G CA -0.838 44.407 45.100 0.243 0.000 0.882 15 G HN 1.077 nan 8.290 nan 0.000 0.501 16 G N 0.294 109.267 108.800 0.288 0.000 2.805 16 G HA2 0.474 4.433 3.960 -0.002 0.000 0.283 16 G HA3 0.474 4.433 3.960 -0.002 0.000 0.283 16 G C -0.993 174.086 174.900 0.298 0.000 1.508 16 G CA -0.438 44.854 45.100 0.319 0.000 1.042 16 G HN 0.445 nan 8.290 nan 0.000 0.543 17 L N 2.911 124.185 121.223 0.084 0.000 2.314 17 L HA 0.478 4.817 4.340 -0.002 0.000 0.275 17 L C -0.690 176.195 176.870 0.024 0.000 1.068 17 L CA -0.449 54.454 54.840 0.105 0.000 0.894 17 L CB -0.012 42.125 42.059 0.130 0.000 1.275 17 L HN 0.389 nan 8.230 nan 0.000 0.432 18 F N 4.034 124.049 119.950 0.110 0.000 2.411 18 F HA 0.472 4.998 4.527 -0.002 0.000 0.352 18 F C -1.788 174.016 175.800 0.007 0.000 1.123 18 F CA -2.300 55.768 58.000 0.112 0.000 1.044 18 F CB 1.172 40.214 39.000 0.071 0.000 1.135 18 F HN 0.306 nan 8.300 nan 0.000 0.461 19 P HA 0.118 nan 4.420 nan 0.000 0.268 19 P C -0.142 177.163 177.300 0.009 0.000 1.204 19 P CA -0.204 62.898 63.100 0.004 0.000 0.768 19 P CB 0.382 32.025 31.700 -0.096 0.000 0.842 20 R N 2.507 123.015 120.500 0.013 0.000 2.488 20 R HA 0.371 4.710 4.340 -0.002 0.000 0.317 20 R C 1.389 177.686 176.300 -0.005 0.000 0.941 20 R CA 0.536 56.637 56.100 0.002 0.000 1.076 20 R CB -1.793 28.509 30.300 0.003 0.000 0.917 20 R HN 0.945 nan 8.270 nan 0.000 0.407 21 G N 0.003 108.802 108.800 -0.002 0.000 2.255 21 G HA2 0.142 4.101 3.960 -0.002 0.000 0.196 21 G HA3 0.142 4.101 3.960 -0.002 0.000 0.196 21 G C 0.769 175.678 174.900 0.015 0.000 0.998 21 G CA 0.155 45.258 45.100 0.004 0.000 0.656 21 G HN 1.965 nan 8.290 nan 0.000 0.490 22 A N 1.050 123.881 122.820 0.019 0.000 3.077 22 A HA 0.519 4.838 4.320 -0.002 0.000 0.255 22 A C 1.366 179.052 177.584 0.170 0.000 1.728 22 A CA 1.033 53.105 52.037 0.059 0.000 1.383 22 A CB -0.318 18.698 19.000 0.028 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 4.444 4.640 -0.002 0.000 0.196 23 D C 1.869 178.338 176.300 0.282 0.000 0.986 23 D CA 1.613 55.721 54.000 0.180 0.000 0.829 23 D CB -0.262 40.614 40.800 0.128 0.000 0.983 23 D HN 0.717 nan 8.370 nan 0.000 0.453 24 Q N 0.221 120.189 119.800 0.281 0.000 2.170 24 Q HA -0.190 4.149 4.340 -0.002 0.000 0.203 24 Q C 1.639 177.910 176.000 0.452 0.000 0.976 24 Q CA 1.249 57.290 55.803 0.396 0.000 0.858 24 Q CB 0.145 29.098 28.738 0.359 0.000 0.907 24 Q HN 0.135 nan 8.270 nan 0.000 0.433 25 E N -0.478 119.957 120.200 0.392 0.000 2.051 25 E HA -0.199 4.150 4.350 -0.002 0.000 0.192 25 E C 1.478 178.492 176.600 0.689 0.000 0.991 25 E CA 1.345 58.053 56.400 0.514 0.000 0.799 25 E CB -0.358 29.615 29.700 0.455 0.000 0.748 25 E HN 0.441 nan 8.360 nan 0.000 0.449 26 Y N 0.840 121.381 120.300 0.403 0.000 2.263 26 Y HA -0.141 4.408 4.550 -0.002 0.000 0.292 26 Y C 2.236 178.323 175.900 0.312 0.000 1.130 26 Y CA 1.365 59.540 58.100 0.125 0.000 1.179 26 Y CB -0.180 38.132 38.460 -0.245 0.000 0.998 26 Y HN -0.062 nan 8.280 nan 0.000 0.532 27 S N 0.247 116.179 115.700 0.387 0.000 2.370 27 S HA -0.230 4.239 4.470 -0.002 0.000 0.226 27 S C 2.244 177.178 174.600 0.556 0.000 1.033 27 S CA 1.191 59.648 58.200 0.428 0.000 1.011 27 S CB -0.770 62.704 63.200 0.457 0.000 0.852 27 S HN 0.615 nan 8.310 nan 0.000 0.457 28 A N 0.429 123.653 122.820 0.672 0.000 1.969 28 A HA 0.015 4.334 4.320 -0.002 0.000 0.218 28 A C 1.857 179.751 177.584 0.517 0.000 1.169 28 A CA 0.986 53.421 52.037 0.662 0.000 0.635 28 A CB -0.727 18.547 19.000 0.457 0.000 0.810 28 A HN 0.525 nan 8.150 nan 0.000 0.445 29 F N 0.534 120.641 119.950 0.262 0.000 2.186 29 F HA -0.128 4.397 4.527 -0.002 0.000 0.299 29 F C 2.385 178.181 175.800 -0.007 0.000 1.090 29 F CA 1.622 59.686 58.000 0.106 0.000 1.307 29 F CB -0.035 39.047 39.000 0.137 0.000 1.019 29 F HN 0.112 nan 8.300 nan 0.000 0.489 30 R N -0.312 120.175 120.500 -0.021 0.000 2.062 30 R HA -0.102 4.237 4.340 -0.002 0.000 0.229 30 R C 2.116 178.464 176.300 0.080 0.000 1.128 30 R CA 1.576 57.641 56.100 -0.059 0.000 0.960 30 R CB -0.860 29.443 30.300 0.004 0.000 0.855 30 R HN 0.203 nan 8.270 nan 0.000 0.432 31 V N 0.610 120.671 119.914 0.244 0.000 2.392 31 V HA -0.200 3.919 4.120 -0.002 0.000 0.249 31 V C 2.356 178.605 176.094 0.258 0.000 1.059 31 V CA 2.127 64.577 62.300 0.250 0.000 1.051 31 V CB -0.968 31.080 31.823 0.376 0.000 0.658 31 V HN 0.578 nan 8.190 nan 0.000 0.455 32 G N -0.636 108.317 108.800 0.255 0.000 2.408 32 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.217 32 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.217 32 G C 1.507 176.415 174.900 0.014 0.000 1.150 32 G CA 0.824 45.973 45.100 0.082 0.000 0.776 32 G HN 0.330 nan 8.290 nan 0.000 0.542 33 M N 0.507 120.020 119.600 -0.146 0.000 2.213 33 M HA -0.022 4.457 4.480 -0.002 0.000 0.263 33 M C 2.624 178.889 176.300 -0.059 0.000 1.062 33 M CA 0.801 56.012 55.300 -0.148 0.000 1.105 33 M CB -0.876 31.595 32.600 -0.215 0.000 1.385 33 M HN 0.144 nan 8.290 nan 0.000 0.417 34 V N -0.409 119.483 119.914 -0.036 0.000 2.446 34 V HA -0.185 3.934 4.120 -0.002 0.000 0.244 34 V C 2.350 178.384 176.094 -0.099 0.000 1.039 34 V CA 1.451 63.726 62.300 -0.041 0.000 1.045 34 V CB -0.701 31.118 31.823 -0.007 0.000 0.681 34 V HN 0.359 nan 8.190 nan 0.000 0.459 35 Q N 0.146 119.847 119.800 -0.165 0.000 2.230 35 Q HA -0.047 4.292 4.340 -0.002 0.000 0.202 35 Q C 1.033 176.676 176.000 -0.596 0.000 0.963 35 Q CA 1.706 57.272 55.803 -0.395 0.000 0.866 35 Q CB -0.100 28.342 28.738 -0.493 0.000 0.931 35 Q HN 0.626 nan 8.270 nan 0.000 0.452 36 F N 0.252 120.145 119.950 -0.095 0.000 2.850 36 F HA 0.347 4.873 4.527 -0.002 0.000 0.306 36 F C -0.006 175.701 175.800 -0.153 0.000 1.162 36 F CA -0.558 57.365 58.000 -0.128 0.000 1.327 36 F CB 0.197 39.096 39.000 -0.169 0.000 0.953 36 F HN -0.094 nan 8.300 nan 0.000 0.507 37 S N -0.738 114.936 115.700 -0.044 0.000 2.475 37 S HA 0.597 5.066 4.470 -0.002 0.000 0.281 37 S C -0.081 174.433 174.600 -0.144 0.000 1.198 37 S CA -0.403 57.739 58.200 -0.096 0.000 1.063 37 S CB 1.819 64.975 63.200 -0.074 0.000 0.972 37 S HN 0.160 nan 8.310 nan 0.000 0.486 38 T N 1.510 115.915 114.554 -0.248 0.000 2.907 38 T HA 0.479 4.828 4.350 -0.002 0.000 0.290 38 T C 1.002 175.561 174.700 -0.236 0.000 1.066 38 T CA -0.646 61.297 62.100 -0.260 0.000 1.012 38 T CB 1.506 70.152 68.868 -0.370 0.000 1.184 38 T HN 0.562 nan 8.240 nan 0.000 0.522 39 S N 1.045 116.651 115.700 -0.156 0.000 2.461 39 S HA 0.071 4.540 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 1.225 59.369 58.200 -0.093 0.000 0.942 39 S CB -0.356 62.812 63.200 -0.053 0.000 0.776 39 S HN 0.858 nan 8.310 nan 0.000 0.514 40 E N 1.481 121.612 120.200 -0.115 0.000 2.118 40 E HA 0.049 4.398 4.350 -0.002 0.000 0.195 40 E C 0.570 177.267 176.600 0.162 0.000 0.992 40 E CA 1.278 57.690 56.400 0.020 0.000 0.804 40 E CB -0.724 29.023 29.700 0.079 0.000 0.741 40 E HN 0.745 nan 8.360 nan 0.000 0.458 41 F N -5.589 114.356 119.950 -0.009 0.000 2.725 41 F HA 0.732 5.258 4.527 -0.002 0.000 0.309 41 F C -0.619 175.177 175.800 -0.008 0.000 1.132 41 F CA -1.044 56.947 58.000 -0.015 0.000 0.957 41 F CB 0.896 39.877 39.000 -0.032 0.000 1.286 41 F HN 0.217 nan 8.300 nan 0.000 0.440 42 R N 1.574 122.173 120.500 0.165 0.000 2.670 42 R HA 0.874 5.212 4.340 -0.002 0.000 0.289 42 R C -2.008 174.387 176.300 0.159 0.000 0.965 42 R CA -0.923 55.231 56.100 0.089 0.000 0.899 42 R CB 1.524 31.851 30.300 0.045 0.000 1.173 42 R HN 0.728 nan 8.270 nan 0.000 0.456 43 L N 1.410 122.712 121.223 0.131 0.000 2.292 43 L HA 0.506 4.845 4.340 -0.002 0.000 0.284 43 L C 0.343 177.291 176.870 0.129 0.000 1.065 43 L CA -0.157 54.768 54.840 0.141 0.000 0.806 43 L CB 2.204 44.334 42.059 0.118 0.000 1.175 43 L HN 0.788 nan 8.230 nan 0.000 0.431 44 T N 4.507 119.158 114.554 0.161 0.000 3.042 44 T HA 0.377 4.726 4.350 -0.002 0.000 0.356 44 T C -2.478 172.357 174.700 0.226 0.000 1.233 44 T CA -1.189 61.013 62.100 0.170 0.000 1.038 44 T CB 0.679 69.640 68.868 0.155 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 -0.466 177.027 177.300 0.321 0.000 1.262 45 P CA -0.337 62.979 63.100 0.360 0.000 0.773 45 P CB 0.326 32.330 31.700 0.505 0.000 0.879 46 H N 5.589 124.787 119.070 0.213 0.000 2.690 46 H HA 0.222 4.776 4.556 -0.002 0.000 0.280 46 H C -0.397 175.032 175.328 0.168 0.000 1.138 46 H CA -0.630 55.512 56.048 0.156 0.000 1.241 46 H CB 0.413 30.239 29.762 0.106 0.000 1.394 46 H HN 0.215 nan 8.280 nan 0.000 0.489 47 I N 4.318 124.860 120.570 -0.045 0.000 2.496 47 I HA 0.063 4.232 4.170 -0.002 0.000 0.285 47 I C 0.191 176.271 176.117 -0.061 0.000 1.080 47 I CA -0.090 61.222 61.300 0.021 0.000 1.404 47 I CB 0.864 38.841 38.000 -0.038 0.000 1.403 47 I HN 0.539 nan 8.210 nan 0.000 0.539 48 D N 5.343 125.787 120.400 0.074 0.000 2.473 48 D HA 0.217 4.856 4.640 -0.002 0.000 0.253 48 D C -0.495 175.853 176.300 0.081 0.000 1.233 48 D CA -0.438 53.598 54.000 0.061 0.000 0.908 48 D CB 0.969 41.839 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 0.024 0.000 2.439 49 N HA 0.318 5.057 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 -0.221 52.847 53.050 0.029 0.000 0.940 49 N CB 0.745 39.212 38.487 -0.033 0.000 1.180 49 N HN 0.285 nan 8.380 nan 0.000 0.505 50 L N 0.298 121.556 121.223 0.058 0.000 2.309 50 L HA 0.463 4.802 4.340 -0.002 0.000 0.261 50 L C 0.847 177.748 176.870 0.052 0.000 1.021 50 L CA -0.955 53.916 54.840 0.053 0.000 0.823 50 L CB 0.704 42.796 42.059 0.056 0.000 1.366 50 L HN 0.447 nan 8.230 nan 0.000 0.423 51 E N 0.463 120.693 120.200 0.051 0.000 2.161 51 E HA 0.225 4.574 4.350 -0.002 0.000 0.263 51 E C 1.034 177.669 176.600 0.058 0.000 1.185 51 E CA 0.577 57.007 56.400 0.050 0.000 0.938 51 E CB 0.278 30.009 29.700 0.051 0.000 1.023 51 E HN 0.601 nan 8.360 nan 0.000 0.433 52 V N 2.315 122.264 119.914 0.058 0.000 2.453 52 V HA -0.216 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 3.004 65.349 62.300 0.075 0.000 1.070 52 V CB -0.559 31.313 31.823 0.081 0.000 0.664 52 V HN 0.926 nan 8.190 nan 0.000 0.461 53 A N 0.191 123.056 122.820 0.075 0.000 1.898 53 A HA -0.132 4.187 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 1.335 53.418 52.037 0.077 0.000 0.620 53 A CB -0.697 18.343 19.000 0.066 0.000 0.819 53 A HN 0.625 nan 8.150 nan 0.000 0.442 54 N N 0.756 119.498 118.700 0.071 0.000 2.429 54 N HA 0.077 4.816 4.740 -0.002 0.000 0.271 54 N C 0.774 176.334 175.510 0.083 0.000 1.272 54 N CA 0.621 53.722 53.050 0.086 0.000 0.921 54 N CB 0.629 39.180 38.487 0.107 0.000 1.128 54 N HN 0.235 nan 8.380 nan 0.000 0.481 55 S N 3.403 119.151 115.700 0.081 0.000 2.368 55 S HA -0.138 4.331 4.470 -0.002 0.000 0.225 55 S C 1.453 176.084 174.600 0.051 0.000 1.030 55 S CA 0.621 58.849 58.200 0.046 0.000 0.999 55 S CB -0.354 62.873 63.200 0.046 0.000 0.844 55 S HN 0.721 nan 8.310 nan 0.000 0.459 56 F N 2.745 122.684 119.950 -0.019 0.000 2.069 56 F HA -0.147 4.379 4.527 -0.002 0.000 0.298 56 F C 2.367 178.152 175.800 -0.025 0.000 1.113 56 F CA 1.258 59.246 58.000 -0.020 0.000 1.214 56 F CB -0.825 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 0.054 122.915 122.820 0.068 0.000 1.908 57 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 57 A C 2.283 179.794 177.584 -0.121 0.000 1.181 57 A CA 2.137 54.152 52.037 -0.037 0.000 0.627 57 A CB -1.491 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 -0.090 119.775 119.914 -0.081 0.000 2.490 58 V HA -0.232 3.887 4.120 -0.002 0.000 0.250 58 V C 2.703 178.685 176.094 -0.188 0.000 1.061 58 V CA 2.408 64.654 62.300 -0.090 0.000 1.064 58 V CB -1.280 30.497 31.823 -0.077 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 -0.160 4.189 4.350 -0.002 0.000 0.266 59 T C 1.809 176.303 174.700 -0.343 0.000 1.040 59 T CA 1.724 63.549 62.100 -0.458 0.000 1.141 59 T CB -0.370 68.223 68.868 -0.459 0.000 0.868 59 T HN 0.442 nan 8.240 nan 0.000 0.444 60 N N 1.584 120.061 118.700 -0.371 0.000 2.106 60 N HA 0.047 4.786 4.740 -0.002 0.000 0.188 60 N C 2.065 177.510 175.510 -0.108 0.000 1.029 60 N CA 1.294 54.188 53.050 -0.261 0.000 0.848 60 N CB -0.657 37.636 38.487 -0.324 0.000 1.007 60 N HN 0.412 nan 8.380 nan 0.000 0.423 61 A N -0.240 122.541 122.820 -0.066 0.000 2.024 61 A HA -0.124 4.195 4.320 -0.002 0.000 0.220 61 A C 2.059 179.679 177.584 0.061 0.000 1.164 61 A CA 0.969 53.019 52.037 0.022 0.000 0.643 61 A CB -0.823 18.209 19.000 0.053 0.000 0.806 61 A HN 0.367 nan 8.150 nan 0.000 0.451 62 F N -0.014 119.865 119.950 -0.119 0.000 2.149 62 F HA -0.136 4.390 4.527 -0.002 0.000 0.294 62 F C 2.357 178.125 175.800 -0.054 0.000 1.095 62 F CA 1.694 59.630 58.000 -0.105 0.000 1.276 62 F CB -0.454 38.380 39.000 -0.277 0.000 1.023 62 F HN 0.257 nan 8.300 nan 0.000 0.480 63 c N -0.393 118.201 118.600 -0.010 0.000 2.432 63 c HA -0.094 4.475 4.570 -0.002 0.000 0.280 63 c C 3.158 177.239 174.090 -0.016 0.000 1.353 63 c CA 1.262 57.590 56.329 -0.001 0.000 1.766 63 c CB -1.388 41.143 42.510 0.036 0.000 1.924 63 c HN 0.669 nan 8.230 nan 0.000 0.509 64 S N 0.528 116.202 115.700 -0.043 0.000 2.355 64 S HA -0.162 4.307 4.470 -0.002 0.000 0.222 64 S C 2.342 176.882 174.600 -0.099 0.000 1.031 64 S CA 2.181 60.351 58.200 -0.050 0.000 0.993 64 S CB -0.368 62.825 63.200 -0.013 0.000 0.859 64 S HN 0.712 nan 8.310 nan 0.000 0.453 65 Q N -0.321 119.424 119.800 -0.092 0.000 2.291 65 Q HA 0.063 4.402 4.340 -0.002 0.000 0.205 65 Q C 1.819 177.712 176.000 -0.177 0.000 0.970 65 Q CA 1.519 57.250 55.803 -0.121 0.000 0.876 65 Q CB -1.122 27.598 28.738 -0.029 0.000 0.935 65 Q HN 0.822 nan 8.270 nan 0.000 0.455 66 F N 0.506 120.226 119.950 -0.384 0.000 2.270 66 F HA 0.052 4.578 4.527 -0.002 0.000 0.295 66 F C 2.383 177.989 175.800 -0.322 0.000 1.087 66 F CA 1.514 59.263 58.000 -0.418 0.000 1.365 66 F CB 0.110 38.801 39.000 -0.515 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 -0.278 0.000 2.406 67 S HA -0.104 4.364 4.470 -0.002 0.000 0.228 67 S C 2.235 176.632 174.600 -0.340 0.000 1.020 67 S CA 1.117 59.126 58.200 -0.318 0.000 0.965 67 S CB -0.574 62.536 63.200 -0.150 0.000 0.798 67 S HN 0.514 nan 8.310 nan 0.000 0.488 68 R N 1.329 121.645 120.500 -0.307 0.000 2.316 68 R HA 0.342 4.681 4.340 -0.002 0.000 0.202 68 R C 1.262 177.359 176.300 -0.338 0.000 1.029 68 R CA 0.856 56.776 56.100 -0.300 0.000 1.018 68 R CB -1.741 28.354 30.300 -0.341 0.000 0.888 68 R HN 0.739 nan 8.270 nan 0.000 0.471 69 G N 0.154 108.675 108.800 -0.466 0.000 2.462 69 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.283 69 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.283 69 G C 0.198 174.779 174.900 -0.531 0.000 1.043 69 G CA 0.368 45.118 45.100 -0.584 0.000 1.300 69 G HN 1.607 nan 8.290 nan 0.000 0.518 70 V N -1.223 118.434 119.914 -0.428 0.000 2.837 70 V HA 0.798 4.917 4.120 -0.002 0.000 0.310 70 V C 1.115 177.063 176.094 -0.243 0.000 1.059 70 V CA -0.836 61.318 62.300 -0.242 0.000 1.004 70 V CB 1.180 32.984 31.823 -0.032 0.000 1.045 70 V HN 0.314 nan 8.190 nan 0.000 0.465 71 Y N 1.620 122.002 120.300 0.137 0.000 2.509 71 Y HA 0.732 5.281 4.550 -0.002 0.000 0.270 71 Y C 1.104 177.181 175.900 0.294 0.000 1.103 71 Y CA 0.725 58.996 58.100 0.285 0.000 1.278 71 Y CB 0.365 38.952 38.460 0.211 0.000 1.087 71 Y HN 1.008 nan 8.280 nan 0.000 0.542 72 A N -0.075 122.958 122.820 0.355 0.000 2.612 72 A HA 0.707 5.026 4.320 -0.002 0.000 0.293 72 A C -1.687 176.041 177.584 0.240 0.000 1.075 72 A CA -0.617 51.594 52.037 0.289 0.000 0.680 72 A CB 0.870 20.009 19.000 0.231 0.000 1.279 72 A HN 0.067 nan 8.150 nan 0.000 0.411 73 I N 0.979 121.680 120.570 0.219 0.000 2.466 73 I HA 0.451 4.620 4.170 -0.002 0.000 0.289 73 I C -1.231 174.824 176.117 -0.103 0.000 1.026 73 I CA -0.313 61.084 61.300 0.162 0.000 1.078 73 I CB 1.906 40.102 38.000 0.327 0.000 1.249 73 I HN 0.660 nan 8.210 nan 0.000 0.429 74 F N 5.835 125.634 119.950 -0.251 0.000 2.444 74 F HA 0.851 5.377 4.527 -0.002 0.000 0.342 74 F C 0.129 175.547 175.800 -0.637 0.000 1.121 74 F CA -0.005 57.691 58.000 -0.508 0.000 0.997 74 F CB 1.400 40.274 39.000 -0.210 0.000 1.130 74 F HN 0.505 nan 8.300 nan 0.000 0.454 75 G N 3.996 111.763 108.800 -1.722 0.000 2.578 75 G HA2 0.517 4.476 3.960 -0.002 0.000 0.302 75 G HA3 0.517 4.476 3.960 -0.002 0.000 0.302 75 G C -2.127 171.989 174.900 -1.306 0.000 1.243 75 G CA -0.749 43.613 45.100 -1.230 0.000 0.843 75 G HN 0.470 nan 8.290 nan 0.000 0.486 76 F N -0.385 119.343 119.950 -0.369 0.000 2.620 76 F HA 0.781 5.307 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 -0.807 56.984 58.000 -0.348 0.000 0.953 76 F CB 2.362 41.161 39.000 -0.335 0.000 1.322 76 F HN 0.655 nan 8.300 nan 0.000 0.479 77 Y N -1.349 119.016 120.300 0.107 0.000 2.588 77 Y HA 0.737 5.286 4.550 -0.002 0.000 0.343 77 Y C -1.444 174.512 175.900 0.092 0.000 1.065 77 Y CA -1.678 56.433 58.100 0.017 0.000 1.038 77 Y CB 0.830 39.206 38.460 -0.139 0.000 1.297 77 Y HN 0.501 nan 8.280 nan 0.000 0.467 78 D N 0.256 120.888 120.400 0.387 0.000 2.440 78 D HA 0.401 5.040 4.640 -0.002 0.000 0.258 78 D C 0.991 177.582 176.300 0.484 0.000 1.092 78 D CA 0.232 54.477 54.000 0.407 0.000 1.016 78 D CB 1.852 42.786 40.800 0.224 0.000 1.141 78 D HN 0.862 nan 8.370 nan 0.000 0.552 79 K N 0.074 120.706 120.400 0.386 0.000 2.442 79 K HA -0.024 4.295 4.320 -0.002 0.000 0.198 79 K C 1.712 178.409 176.600 0.161 0.000 1.044 79 K CA 2.207 58.653 56.287 0.264 0.000 0.948 79 K CB -1.167 31.367 32.500 0.056 0.000 0.762 79 K HN 0.498 nan 8.250 nan 0.000 0.472 80 K N 0.198 120.680 120.400 0.137 0.000 2.287 80 K HA 0.104 4.423 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 0.076 0.000 0.976 80 K CB -0.368 32.173 32.500 0.069 0.000 0.898 80 K HN 0.710 nan 8.250 nan 0.000 0.492 81 S N 0.111 115.844 115.700 0.055 0.000 2.548 81 S HA 0.021 4.490 4.470 -0.002 0.000 0.215 81 S C 1.960 176.489 174.600 -0.119 0.000 0.976 81 S CA 0.740 58.933 58.200 -0.011 0.000 0.908 81 S CB 0.169 63.383 63.200 0.022 0.000 0.781 81 S HN 0.329 nan 8.310 nan 0.000 0.519 82 V N 3.182 123.012 119.914 -0.141 0.000 2.332 82 V HA -0.234 3.885 4.120 -0.002 0.000 0.248 82 V C 2.025 177.806 176.094 -0.521 0.000 1.055 82 V CA 2.331 64.303 62.300 -0.547 0.000 1.038 82 V CB -0.897 30.623 31.823 -0.505 0.000 0.651 82 V HN 0.508 nan 8.190 nan 0.000 0.450 83 N N -0.087 118.437 118.700 -0.292 0.000 2.223 83 N HA -0.121 4.618 4.740 -0.002 0.000 0.185 83 N C 1.809 177.187 175.510 -0.220 0.000 1.016 83 N CA 1.938 54.839 53.050 -0.248 0.000 0.863 83 N CB -0.598 37.815 38.487 -0.125 0.000 0.983 83 N HN 0.562 nan 8.380 nan 0.000 0.429 84 T N 2.305 116.744 114.554 -0.191 0.000 2.708 84 T HA -0.028 4.321 4.350 -0.002 0.000 0.266 84 T C 2.004 176.548 174.700 -0.260 0.000 1.037 84 T CA 0.555 62.571 62.100 -0.140 0.000 1.146 84 T CB 0.008 68.768 68.868 -0.180 0.000 0.865 84 T HN 0.079 nan 8.240 nan 0.000 0.435 85 I N 2.341 122.638 120.570 -0.456 0.000 2.113 85 I HA -0.166 4.003 4.170 -0.002 0.000 0.238 85 I C 3.073 178.875 176.117 -0.525 0.000 1.070 85 I CA 2.087 62.993 61.300 -0.657 0.000 1.332 85 I CB -1.945 35.519 38.000 -0.893 0.000 1.044 85 I HN 0.435 nan 8.210 nan 0.000 0.402 86 T N -2.078 112.177 114.554 -0.498 0.000 2.778 86 T HA -0.188 4.161 4.350 -0.002 0.000 0.269 86 T C 2.110 176.688 174.700 -0.204 0.000 1.050 86 T CA 1.921 63.801 62.100 -0.365 0.000 1.137 86 T CB -0.564 67.947 68.868 -0.596 0.000 0.860 86 T HN 0.235 nan 8.240 nan 0.000 0.468 87 S N -0.005 115.572 115.700 -0.205 0.000 2.336 87 S HA 0.094 4.563 4.470 -0.002 0.000 0.216 87 S C 1.623 176.089 174.600 -0.224 0.000 1.032 87 S CA 0.514 58.613 58.200 -0.168 0.000 0.973 87 S CB -0.669 62.432 63.200 -0.165 0.000 0.888 87 S HN 0.528 nan 8.310 nan 0.000 0.455 88 F N 1.520 121.225 119.950 -0.409 0.000 2.102 88 F HA -0.136 4.390 4.527 -0.002 0.000 0.298 88 F C 2.815 178.412 175.800 -0.338 0.000 1.105 88 F CA 1.279 58.986 58.000 -0.488 0.000 1.239 88 F CB -0.656 37.724 39.000 -1.034 0.000 0.991 88 F HN 0.310 nan 8.300 nan 0.000 0.474 89 C N -0.135 119.069 119.300 -0.159 0.000 2.419 89 C HA -0.108 4.351 4.460 -0.002 0.000 0.281 89 C C 2.993 177.931 174.990 -0.086 0.000 1.336 89 C CA 1.171 60.207 59.018 0.030 0.000 1.770 89 C CB -1.816 25.978 27.740 0.090 0.000 1.929 89 C HN 0.674 nan 8.230 nan 0.000 0.509 90 G N -0.326 108.423 108.800 -0.085 0.000 2.453 90 G HA2 -0.078 3.881 3.960 -0.002 0.000 0.215 90 G HA3 -0.078 3.881 3.960 -0.002 0.000 0.215 90 G C 1.691 176.498 174.900 -0.155 0.000 1.147 90 G CA 1.314 46.365 45.100 -0.083 0.000 0.802 90 G HN 0.484 nan 8.290 nan 0.000 0.535 91 T N 1.250 115.732 114.554 -0.120 0.000 2.851 91 T HA 0.086 4.435 4.350 -0.002 0.000 0.262 91 T C 2.074 176.793 174.700 0.031 0.000 1.043 91 T CA 0.418 62.478 62.100 -0.066 0.000 1.140 91 T CB -0.100 68.656 68.868 -0.187 0.000 0.872 91 T HN 0.100 nan 8.240 nan 0.000 0.446 92 L N 0.321 121.537 121.223 -0.013 0.000 2.611 92 L HA 0.235 4.574 4.340 -0.002 0.000 0.229 92 L C 0.261 177.231 176.870 0.166 0.000 1.137 92 L CA 0.071 54.942 54.840 0.052 0.000 0.901 92 L CB -0.605 41.373 42.059 -0.135 0.000 1.098 92 L HN 0.361 nan 8.230 nan 0.000 0.456 93 H N -1.725 117.067 119.070 -0.463 0.000 2.776 93 H HA -0.130 4.425 4.556 -0.002 0.000 0.300 93 H C -0.157 174.807 175.328 -0.607 0.000 1.161 93 H CA 0.222 55.546 56.048 -1.206 0.000 1.147 93 H CB -2.051 27.320 29.762 -0.650 0.000 1.366 93 H HN 0.048 nan 8.280 nan 0.000 0.397 94 V N 0.403 120.294 119.914 -0.038 0.000 2.465 94 V HA 0.275 4.394 4.120 -0.002 0.000 0.279 94 V C 0.827 177.161 176.094 0.400 0.000 1.045 94 V CA -0.355 62.153 62.300 0.347 0.000 0.938 94 V CB 1.932 34.023 31.823 0.448 0.000 0.986 94 V HN 0.354 nan 8.190 nan 0.000 0.467 95 S N 4.713 120.691 115.700 0.463 0.000 2.545 95 S HA 0.513 4.982 4.470 -0.002 0.000 0.275 95 S C -0.639 174.200 174.600 0.398 0.000 1.299 95 S CA -0.149 58.305 58.200 0.423 0.000 1.048 95 S CB 0.310 63.686 63.200 0.293 0.000 0.938 95 S HN 0.565 nan 8.310 nan 0.000 0.496 96 F N 3.748 123.812 119.950 0.190 0.000 2.496 96 F HA 0.543 5.069 4.527 -0.002 0.000 0.341 96 F C -1.245 174.594 175.800 0.065 0.000 1.134 96 F CA -1.003 57.079 58.000 0.136 0.000 0.968 96 F CB 0.417 39.496 39.000 0.132 0.000 1.205 96 F HN 0.334 nan 8.300 nan 0.000 0.436 97 I N 4.714 125.083 120.570 -0.335 0.000 2.331 97 I HA 0.467 4.636 4.170 -0.002 0.000 0.292 97 I C 0.154 175.923 176.117 -0.580 0.000 0.998 97 I CA -0.083 61.081 61.300 -0.227 0.000 1.267 97 I CB 1.679 39.689 38.000 0.017 0.000 1.386 97 I HN 0.561 nan 8.210 nan 0.000 0.476 98 T N 6.482 120.800 114.554 -0.395 0.000 2.993 98 T HA 0.490 4.839 4.350 -0.002 0.000 0.312 98 T C -2.441 172.023 174.700 -0.392 0.000 1.115 98 T CA -1.501 60.197 62.100 -0.669 0.000 1.027 98 T CB 1.924 70.491 68.868 -0.501 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 0.411 177.657 177.300 -0.090 0.000 1.190 99 P CA 0.079 63.097 63.100 -0.137 0.000 0.781 99 P CB 0.201 31.907 31.700 0.009 0.000 0.931 100 S N 0.649 116.181 115.700 -0.279 0.000 2.612 100 S HA 0.162 4.631 4.470 -0.002 0.000 0.253 100 S C 0.389 174.892 174.600 -0.162 0.000 1.346 100 S CA -0.466 57.580 58.200 -0.256 0.000 0.976 100 S CB -0.429 62.302 63.200 -0.782 0.000 0.949 100 S HN 0.196 nan 8.310 nan 0.000 0.584 101 F N 0.185 120.160 119.950 0.042 0.000 2.602 101 F HA 0.396 4.922 4.527 -0.002 0.000 0.367 101 F C -2.554 173.359 175.800 0.187 0.000 1.126 101 F CA -2.386 55.691 58.000 0.128 0.000 1.321 101 F CB -1.322 37.770 39.000 0.153 0.000 1.094 101 F HN 0.181 nan 8.300 nan 0.000 0.594 102 P HA 0.079 nan 4.420 nan 0.000 0.267 102 P C -0.297 177.182 177.300 0.299 0.000 1.200 102 P CA -0.231 63.001 63.100 0.221 0.000 0.772 102 P CB 0.520 32.328 31.700 0.180 0.000 0.855 103 T N -1.231 113.452 114.554 0.215 0.000 2.919 103 T HA 0.130 4.479 4.350 -0.002 0.000 0.302 103 T C 0.040 174.891 174.700 0.253 0.000 1.031 103 T CA -0.677 61.545 62.100 0.204 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 2.852 123.405 120.400 0.255 0.000 2.600 104 D HA 0.498 5.137 4.640 -0.002 0.000 0.226 104 D C 0.967 177.377 176.300 0.182 0.000 1.119 104 D CA 0.626 54.744 54.000 0.197 0.000 1.051 104 D CB -0.312 40.583 40.800 0.159 0.000 1.106 104 D HN 1.017 nan 8.370 nan 0.000 0.491 105 G N -0.057 108.822 108.800 0.132 0.000 2.356 105 G HA2 0.147 4.106 3.960 -0.002 0.000 0.266 105 G HA3 0.147 4.106 3.960 -0.002 0.000 0.266 105 G C -0.858 174.000 174.900 -0.071 0.000 1.312 105 G CA -0.373 44.717 45.100 -0.017 0.000 0.922 105 G HN 0.216 nan 8.290 nan 0.000 0.480 106 T N -1.580 112.819 114.554 -0.258 0.000 3.250 106 T HA 0.602 4.951 4.350 -0.002 0.000 0.391 106 T C -0.779 173.763 174.700 -0.264 0.000 1.502 106 T CA -0.366 61.632 62.100 -0.169 0.000 1.320 106 T CB 0.140 68.944 68.868 -0.106 0.000 1.102 106 T HN 0.662 nan 8.240 nan 0.000 0.610 107 H N 2.780 121.852 119.070 0.004 0.000 2.640 107 H HA 0.452 5.007 4.556 -0.002 0.000 0.297 107 H C -2.359 172.976 175.328 0.013 0.000 1.073 107 H CA -1.587 54.460 56.048 -0.002 0.000 1.305 107 H CB 0.718 30.465 29.762 -0.025 0.000 1.404 107 H HN 0.381 nan 8.280 nan 0.000 0.459 108 P HA -0.005 nan 4.420 nan 0.000 0.271 108 P C -0.292 177.113 177.300 0.174 0.000 1.233 108 P CA -0.305 62.815 63.100 0.033 0.000 0.789 108 P CB 0.399 32.111 31.700 0.019 0.000 0.951 109 F N -2.579 117.362 119.950 -0.016 0.000 3.074 109 F HA -0.172 4.354 4.527 -0.002 0.000 0.289 109 F C -0.320 175.531 175.800 0.084 0.000 0.863 109 F CA 0.443 58.454 58.000 0.018 0.000 1.121 109 F CB -1.986 37.018 39.000 0.007 0.000 1.169 109 F HN -0.061 nan 8.300 nan 0.000 0.570 110 V N 1.939 121.956 119.914 0.171 0.000 2.569 110 V HA 0.478 4.597 4.120 -0.002 0.000 0.301 110 V C 0.008 176.168 176.094 0.110 0.000 1.044 110 V CA -0.884 61.535 62.300 0.199 0.000 0.874 110 V CB 2.312 34.248 31.823 0.188 0.000 1.002 110 V HN 0.017 nan 8.190 nan 0.000 0.424 111 I N 4.395 125.013 120.570 0.079 0.000 2.330 111 I HA 0.467 4.635 4.170 -0.002 0.000 0.289 111 I C 0.047 176.206 176.117 0.070 0.000 1.001 111 I CA -0.431 60.854 61.300 -0.025 0.000 1.193 111 I CB 1.477 39.358 38.000 -0.198 0.000 1.345 111 I HN 0.696 nan 8.210 nan 0.000 0.461 112 Q N 5.783 125.679 119.800 0.160 0.000 2.347 112 Q HA 0.403 4.742 4.340 -0.002 0.000 0.262 112 Q C 0.665 176.785 176.000 0.200 0.000 0.980 112 Q CA -0.608 55.285 55.803 0.149 0.000 0.867 112 Q CB 2.524 31.348 28.738 0.143 0.000 1.242 112 Q HN 0.464 nan 8.270 nan 0.000 0.453 113 M N 0.652 120.328 119.600 0.126 0.000 2.349 113 M HA 0.001 4.480 4.480 -0.002 0.000 0.266 113 M C 1.115 177.447 176.300 0.054 0.000 1.076 113 M CA 0.860 56.235 55.300 0.125 0.000 1.126 113 M CB -0.511 32.157 32.600 0.112 0.000 1.392 113 M HN 0.613 nan 8.290 nan 0.000 0.440 114 R N 2.458 122.988 120.500 0.051 0.000 2.267 114 R HA 0.435 4.774 4.340 -0.002 0.000 0.319 114 R C -2.798 173.459 176.300 -0.071 0.000 1.067 114 R CA -1.453 54.669 56.100 0.038 0.000 0.936 114 R CB -1.568 28.807 30.300 0.125 0.000 1.006 114 R HN 0.119 nan 8.270 nan 0.000 0.452 115 P HA 0.096 nan 4.420 nan 0.000 0.272 115 P C -0.891 176.231 177.300 -0.296 0.000 1.230 115 P CA -0.531 62.249 63.100 -0.532 0.000 0.788 115 P CB 0.686 31.740 31.700 -1.078 0.000 0.949 116 D N 1.166 121.446 120.400 -0.199 0.000 2.339 116 D HA 0.014 4.653 4.640 -0.002 0.000 0.256 116 D C 0.621 176.857 176.300 -0.106 0.000 1.214 116 D CA -0.006 53.968 54.000 -0.044 0.000 0.877 116 D CB 0.366 41.207 40.800 0.070 0.000 1.111 116 D HN 0.087 nan 8.370 nan 0.000 0.478 117 L N 4.603 125.712 121.223 -0.189 0.000 2.446 117 L HA 0.069 4.408 4.340 -0.002 0.000 0.219 117 L C 2.361 178.979 176.870 -0.420 0.000 1.116 117 L CA 1.522 56.131 54.840 -0.385 0.000 0.844 117 L CB -0.719 41.093 42.059 -0.412 0.000 0.970 117 L HN 0.472 nan 8.230 nan 0.000 0.457 118 K N 0.066 120.332 120.400 -0.223 0.000 2.107 118 K HA -0.169 4.150 4.320 -0.002 0.000 0.211 118 K C 2.037 178.504 176.600 -0.222 0.000 1.049 118 K CA 1.831 58.023 56.287 -0.158 0.000 0.927 118 K CB -2.143 30.328 32.500 -0.049 0.000 0.714 118 K HN 0.605 nan 8.250 nan 0.000 0.452 119 G N 0.073 108.697 108.800 -0.293 0.000 2.404 119 G HA2 0.078 4.037 3.960 -0.002 0.000 0.215 119 G HA3 0.078 4.037 3.960 -0.002 0.000 0.215 119 G C 2.055 176.460 174.900 -0.825 0.000 1.174 119 G CA 1.595 46.498 45.100 -0.329 0.000 0.780 119 G HN 0.890 nan 8.290 nan 0.000 0.537 120 A N 0.259 122.140 122.820 -1.564 0.000 1.972 120 A HA 0.105 4.423 4.320 -0.002 0.000 0.219 120 A C 2.355 179.566 177.584 -0.621 0.000 1.169 120 A CA 1.344 52.399 52.037 -1.636 0.000 0.635 120 A CB -0.364 17.877 19.000 -1.265 0.000 0.810 120 A HN 0.386 nan 8.150 nan 0.000 0.446 121 L N -0.509 120.393 121.223 -0.536 0.000 2.005 121 L HA -0.124 4.215 4.340 -0.002 0.000 0.207 121 L C 2.473 179.308 176.870 -0.058 0.000 1.072 121 L CA 1.355 56.100 54.840 -0.158 0.000 0.744 121 L CB -0.298 41.659 42.059 -0.170 0.000 0.895 121 L HN 0.412 nan 8.230 nan 0.000 0.433 122 L N -0.872 120.320 121.223 -0.052 0.000 2.079 122 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 122 L C 2.595 179.534 176.870 0.116 0.000 1.081 122 L CA 1.338 56.234 54.840 0.094 0.000 0.752 122 L CB -0.603 41.542 42.059 0.143 0.000 0.896 122 L HN 0.262 nan 8.230 nan 0.000 0.433 123 S N -0.030 115.717 115.700 0.078 0.000 2.383 123 S HA -0.146 4.322 4.470 -0.002 0.000 0.227 123 S C 1.844 176.487 174.600 0.071 0.000 1.026 123 S CA 1.012 59.302 58.200 0.151 0.000 0.981 123 S CB -0.256 63.147 63.200 0.339 0.000 0.818 123 S HN 0.234 nan 8.310 nan 0.000 0.472 124 L N 1.953 123.183 121.223 0.012 0.000 2.093 124 L HA 0.061 4.400 4.340 -0.002 0.000 0.208 124 L C 1.864 178.643 176.870 -0.152 0.000 1.085 124 L CA 1.422 56.224 54.840 -0.063 0.000 0.755 124 L CB -0.508 41.544 42.059 -0.011 0.000 0.904 124 L HN 0.284 nan 8.230 nan 0.000 0.435 125 I N -0.677 119.757 120.570 -0.226 0.000 2.208 125 I HA -0.303 3.866 4.170 -0.002 0.000 0.245 125 I C 2.317 178.294 176.117 -0.233 0.000 1.097 125 I CA 1.511 62.531 61.300 -0.467 0.000 1.363 125 I CB -0.401 37.236 38.000 -0.606 0.000 1.051 125 I HN 0.357 nan 8.210 nan 0.000 0.413 126 E N -0.067 120.140 120.200 0.012 0.000 2.150 126 E HA -0.256 4.093 4.350 -0.002 0.000 0.193 126 E C 2.048 178.672 176.600 0.040 0.000 0.985 126 E CA 1.184 57.660 56.400 0.128 0.000 0.814 126 E CB -0.191 29.633 29.700 0.207 0.000 0.752 126 E HN 0.553 nan 8.360 nan 0.000 0.466 127 Y N 0.261 120.460 120.300 -0.168 0.000 2.128 127 Y HA -0.295 4.253 4.550 -0.002 0.000 0.284 127 Y C 1.580 177.295 175.900 -0.308 0.000 1.154 127 Y CA 1.675 59.606 58.100 -0.282 0.000 1.149 127 Y CB -0.232 37.953 38.460 -0.459 0.000 0.976 127 Y HN 0.027 nan 8.280 nan 0.000 0.505 128 Y N 0.971 121.062 120.300 -0.350 0.000 2.578 128 Y HA -0.016 4.533 4.550 -0.002 0.000 0.297 128 Y C 0.463 176.310 175.900 -0.089 0.000 1.176 128 Y CA 0.555 58.425 58.100 -0.384 0.000 1.315 128 Y CB -0.286 37.827 38.460 -0.578 0.000 1.031 128 Y HN 0.210 nan 8.280 nan 0.000 0.524 129 Q N -1.107 118.721 119.800 0.047 0.000 2.459 129 Q HA -0.236 4.102 4.340 -0.002 0.000 0.322 129 Q C -1.514 174.676 176.000 0.317 0.000 1.427 129 Q CA 0.039 55.932 55.803 0.151 0.000 0.861 129 Q CB -1.601 27.185 28.738 0.081 0.000 1.137 129 Q HN 0.416 nan 8.270 nan 0.000 0.394 130 W N 1.222 122.475 121.300 -0.079 0.000 2.365 130 W HA 0.238 4.897 4.660 -0.002 0.000 0.316 130 W C 0.956 177.416 176.519 -0.098 0.000 1.164 130 W CA -0.323 56.950 57.345 -0.120 0.000 1.204 130 W CB 0.581 29.877 29.460 -0.275 0.000 1.213 130 W HN 0.365 nan 8.180 nan 0.000 0.539 131 D N 0.338 120.853 120.400 0.192 0.000 2.473 131 D HA 0.156 4.795 4.640 -0.002 0.000 0.242 131 D C 0.194 176.578 176.300 0.140 0.000 1.106 131 D CA 0.179 54.325 54.000 0.243 0.000 0.854 131 D CB 0.032 40.974 40.800 0.236 0.000 1.192 131 D HN 0.156 nan 8.370 nan 0.000 0.503 132 K N 0.548 120.978 120.400 0.049 0.000 2.637 132 K HA 0.631 4.950 4.320 -0.002 0.000 0.248 132 K C -1.269 175.289 176.600 -0.069 0.000 0.971 132 K CA -0.913 55.330 56.287 -0.073 0.000 0.858 132 K CB 0.688 33.164 32.500 -0.041 0.000 1.170 132 K HN 0.290 nan 8.250 nan 0.000 0.443 133 F N -0.324 119.583 119.950 -0.071 0.000 2.645 133 F HA 0.844 5.370 4.527 -0.002 0.000 0.310 133 F C -0.011 175.826 175.800 0.061 0.000 1.102 133 F CA -1.782 56.171 58.000 -0.079 0.000 0.952 133 F CB 1.275 40.295 39.000 0.033 0.000 1.326 133 F HN 0.538 nan 8.300 nan 0.000 0.456 134 A N 1.452 124.452 122.820 0.299 0.000 2.309 134 A HA 0.583 4.902 4.320 -0.002 0.000 0.298 134 A C -1.977 175.895 177.584 0.479 0.000 1.165 134 A CA -0.533 51.665 52.037 0.268 0.000 0.821 134 A CB 0.327 19.421 19.000 0.157 0.000 1.102 134 A HN 0.957 nan 8.150 nan 0.000 0.500 135 Y N 3.707 124.183 120.300 0.294 0.000 2.686 135 Y HA 0.483 5.032 4.550 -0.002 0.000 0.331 135 Y C -0.852 175.230 175.900 0.303 0.000 0.996 135 Y CA -0.601 57.710 58.100 0.351 0.000 1.293 135 Y CB 0.659 39.352 38.460 0.387 0.000 1.092 135 Y HN 0.545 nan 8.280 nan 0.000 0.524 136 L N 7.542 128.736 121.223 -0.049 0.000 2.325 136 L HA 0.225 4.564 4.340 -0.002 0.000 0.284 136 L C -0.641 176.073 176.870 -0.261 0.000 1.089 136 L CA -0.566 54.196 54.840 -0.130 0.000 0.836 136 L CB -0.352 41.662 42.059 -0.075 0.000 1.184 136 L HN 0.586 nan 8.230 nan 0.000 0.444 137 Y N 0.423 120.577 120.300 -0.243 0.000 2.587 137 Y HA 0.750 5.299 4.550 -0.002 0.000 0.337 137 Y C -0.820 175.038 175.900 -0.069 0.000 1.065 137 Y CA -1.546 56.430 58.100 -0.207 0.000 1.126 137 Y CB 1.319 39.747 38.460 -0.053 0.000 1.279 137 Y HN 0.321 nan 8.280 nan 0.000 0.489 138 D N 0.343 120.811 120.400 0.113 0.000 2.629 138 D HA 0.216 4.855 4.640 -0.002 0.000 0.250 138 D C 0.024 176.408 176.300 0.140 0.000 1.126 138 D CA -0.479 53.554 54.000 0.054 0.000 0.852 138 D CB 1.895 42.710 40.800 0.025 0.000 1.335 138 D HN 0.683 nan 8.370 nan 0.000 0.518 139 S N 1.957 117.735 115.700 0.130 0.000 2.727 139 S HA -0.051 4.418 4.470 -0.002 0.000 0.226 139 S C 0.835 175.448 174.600 0.021 0.000 0.963 139 S CA 0.054 58.322 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 2.592 122.998 120.400 0.009 0.000 2.123 140 D HA 0.004 4.643 4.640 -0.002 0.000 0.200 140 D C 1.597 177.815 176.300 -0.137 0.000 0.976 140 D CA 1.010 55.003 54.000 -0.012 0.000 0.831 140 D CB -0.093 40.725 40.800 0.030 0.000 0.974 140 D HN 0.478 nan 8.370 nan 0.000 0.469 141 R N 0.133 120.499 120.500 -0.222 0.000 2.515 141 R HA 0.430 4.769 4.340 -0.002 0.000 0.294 141 R C 0.445 176.313 176.300 -0.720 0.000 1.021 141 R CA 0.073 55.807 56.100 -0.610 0.000 1.081 141 R CB 0.679 30.842 30.300 -0.228 0.000 1.263 141 R HN 0.067 nan 8.270 nan 0.000 0.557 142 G N 0.775 109.319 108.800 -0.427 0.000 2.728 142 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.686 142 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.686 142 G C -0.128 174.712 174.900 -0.099 0.000 1.337 142 G CA -1.026 43.931 45.100 -0.238 0.000 0.861 142 G HN 0.117 nan 8.290 nan 0.000 0.597 143 L N 2.362 123.556 121.223 -0.048 0.000 2.718 143 L HA 0.175 4.514 4.340 -0.002 0.000 0.242 143 L C 2.410 179.258 176.870 -0.036 0.000 1.203 143 L CA 1.510 56.321 54.840 -0.049 0.000 1.011 143 L CB -0.801 41.210 42.059 -0.079 0.000 1.250 143 L HN 0.779 nan 8.230 nan 0.000 0.437 144 S N 0.719 116.410 115.700 -0.015 0.000 2.368 144 S HA -0.166 4.303 4.470 -0.002 0.000 0.225 144 S C 2.070 176.675 174.600 0.008 0.000 1.030 144 S CA 2.157 60.364 58.200 0.011 0.000 0.999 144 S CB 0.152 63.379 63.200 0.045 0.000 0.844 144 S HN 0.672 nan 8.310 nan 0.000 0.459 145 T N -0.034 114.535 114.554 0.024 0.000 2.985 145 T HA 0.059 4.408 4.350 -0.002 0.000 0.266 145 T C 1.750 176.442 174.700 -0.013 0.000 1.076 145 T CA 0.958 63.080 62.100 0.037 0.000 1.135 145 T CB -0.483 68.449 68.868 0.107 0.000 0.890 145 T HN 0.285 nan 8.240 nan 0.000 0.480 146 L N 1.424 122.635 121.223 -0.019 0.000 2.017 146 L HA 0.010 4.349 4.340 -0.002 0.000 0.208 146 L C 2.641 179.402 176.870 -0.182 0.000 1.073 146 L CA 1.744 56.482 54.840 -0.171 0.000 0.745 146 L CB -0.947 40.963 42.059 -0.249 0.000 0.894 146 L HN 0.252 nan 8.230 nan 0.000 0.432 147 Q N -0.571 119.166 119.800 -0.106 0.000 2.170 147 Q HA -0.179 4.160 4.340 -0.002 0.000 0.203 147 Q C 2.235 178.203 176.000 -0.053 0.000 0.976 147 Q CA 1.496 57.257 55.803 -0.071 0.000 0.858 147 Q CB -0.382 28.332 28.738 -0.041 0.000 0.907 147 Q HN 0.711 nan 8.270 nan 0.000 0.433 148 A N 0.901 123.694 122.820 -0.044 0.000 1.858 148 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 148 A C 2.362 179.952 177.584 0.009 0.000 1.190 148 A CA 1.924 53.952 52.037 -0.014 0.000 0.617 148 A CB -0.997 18.000 19.000 -0.005 0.000 0.827 148 A HN 0.341 nan 8.150 nan 0.000 0.443 149 V N -2.130 117.767 119.914 -0.028 0.000 2.548 149 V HA -0.102 4.017 4.120 -0.002 0.000 0.249 149 V C 2.231 178.391 176.094 0.110 0.000 1.055 149 V CA 1.708 64.063 62.300 0.091 0.000 1.065 149 V CB -0.872 30.901 31.823 -0.083 0.000 0.681 149 V HN 0.442 nan 8.190 nan 0.000 0.462 150 L N 0.188 121.399 121.223 -0.020 0.000 2.072 150 L HA -0.063 4.276 4.340 -0.002 0.000 0.205 150 L C 2.600 179.462 176.870 -0.013 0.000 1.079 150 L CA 1.908 56.740 54.840 -0.014 0.000 0.752 150 L CB -0.755 41.272 42.059 -0.054 0.000 0.906 150 L HN 0.297 nan 8.230 nan 0.000 0.436 151 D N -0.405 119.980 120.400 -0.025 0.000 2.144 151 D HA -0.130 4.509 4.640 -0.002 0.000 0.200 151 D C 2.350 178.605 176.300 -0.075 0.000 0.978 151 D CA 1.197 55.172 54.000 -0.041 0.000 0.833 151 D CB -0.054 40.727 40.800 -0.032 0.000 0.961 151 D HN 0.101 nan 8.370 nan 0.000 0.470 152 S N 0.230 115.887 115.700 -0.072 0.000 2.453 152 S HA -0.009 4.460 4.470 -0.002 0.000 0.231 152 S C 2.003 176.345 174.600 -0.429 0.000 1.005 152 S CA 0.686 58.759 58.200 -0.212 0.000 0.949 152 S CB -0.005 63.119 63.200 -0.126 0.000 0.774 152 S HN 0.342 nan 8.310 nan 0.000 0.510 153 A N 1.301 124.025 122.820 -0.161 0.000 2.067 153 A HA 0.216 4.535 4.320 -0.002 0.000 0.219 153 A C 2.223 179.703 177.584 -0.172 0.000 1.158 153 A CA 1.393 53.371 52.037 -0.098 0.000 0.661 153 A CB -0.664 18.419 19.000 0.137 0.000 0.801 153 A HN 0.495 nan 8.150 nan 0.000 0.452 154 A N -0.708 122.023 122.820 -0.148 0.000 1.898 154 A HA 0.210 4.529 4.320 -0.002 0.000 0.214 154 A C 2.134 179.624 177.584 -0.158 0.000 1.183 154 A CA 1.924 53.890 52.037 -0.118 0.000 0.622 154 A CB -0.828 18.123 19.000 -0.080 0.000 0.824 154 A HN 0.633 nan 8.150 nan 0.000 0.444 155 E N -0.473 119.603 120.200 -0.208 0.000 2.016 155 E HA -0.064 4.285 4.350 -0.002 0.000 0.190 155 E C 2.191 178.626 176.600 -0.275 0.000 0.985 155 E CA 2.094 58.373 56.400 -0.202 0.000 0.802 155 E CB -1.149 28.442 29.700 -0.182 0.000 0.762 155 E HN 0.771 nan 8.360 nan 0.000 0.448 156 K N -0.574 119.526 120.400 -0.499 0.000 2.555 156 K HA 0.422 4.741 4.320 -0.002 0.000 0.193 156 K C 1.496 177.775 176.600 -0.535 0.000 1.032 156 K CA 1.831 57.746 56.287 -0.620 0.000 1.004 156 K CB -1.441 30.349 32.500 -1.182 0.000 0.804 156 K HN 1.553 nan 8.250 nan 0.000 0.496 157 K N -0.074 120.092 120.400 -0.390 0.000 4.361 157 K HA -0.091 4.228 4.320 -0.002 0.000 0.294 157 K C -0.528 176.088 176.600 0.027 0.000 0.970 157 K CA 1.209 57.411 56.287 -0.143 0.000 0.913 157 K CB -2.801 29.671 32.500 -0.047 0.000 1.583 157 K HN 0.634 nan 8.250 nan 0.000 0.438 158 W N 0.315 121.628 121.300 0.021 0.000 2.639 158 W HA 0.531 5.190 4.660 -0.001 0.000 0.347 158 W C 0.847 177.306 176.519 -0.099 0.000 1.067 158 W CA -1.120 56.219 57.345 -0.009 0.000 1.218 158 W CB 1.603 31.082 29.460 0.032 0.000 1.393 158 W HN 0.559 nan 8.180 nan 0.000 0.557 159 Q N 1.730 121.578 119.800 0.080 0.000 2.730 159 Q HA 0.298 4.637 4.340 -0.002 0.000 0.244 159 Q C -0.328 175.544 176.000 -0.213 0.000 1.176 159 Q CA -0.364 55.414 55.803 -0.042 0.000 1.024 159 Q CB 0.963 29.690 28.738 -0.019 0.000 1.215 159 Q HN 0.062 nan 8.270 nan 0.000 0.542 160 V N 1.615 121.384 119.914 -0.242 0.000 2.530 160 V HA 0.150 4.269 4.120 -0.002 0.000 0.282 160 V C 0.559 176.583 176.094 -0.117 0.000 1.048 160 V CA -0.078 62.004 62.300 -0.363 0.000 0.997 160 V CB 1.497 33.163 31.823 -0.260 0.000 0.987 160 V HN 0.522 nan 8.190 nan 0.000 0.477 161 T N 4.806 119.328 114.554 -0.054 0.000 3.262 161 T HA 0.495 4.844 4.350 -0.002 0.000 0.374 161 T C 0.294 175.084 174.700 0.151 0.000 1.504 161 T CA -0.151 61.973 62.100 0.040 0.000 1.158 161 T CB 0.530 69.412 68.868 0.023 0.000 1.157 161 T HN 0.873 nan 8.240 nan 0.000 0.644 162 A N 3.803 126.744 122.820 0.203 0.000 2.409 162 A HA 0.680 4.999 4.320 -0.002 0.000 0.262 162 A C 0.004 177.795 177.584 0.344 0.000 1.113 162 A CA -0.283 51.989 52.037 0.392 0.000 0.790 162 A CB -0.104 19.112 19.000 0.361 0.000 1.046 162 A HN 0.838 nan 8.150 nan 0.000 0.496 163 I N 2.589 123.332 120.570 0.289 0.000 2.500 163 I HA 0.141 4.310 4.170 -0.002 0.000 0.286 163 I C -0.367 175.446 176.117 -0.508 0.000 1.063 163 I CA -0.794 60.490 61.300 -0.026 0.000 1.062 163 I CB 1.980 39.927 38.000 -0.089 0.000 1.223 163 I HN 0.648 nan 8.210 nan 0.000 0.435 164 N N 5.556 123.861 118.700 -0.659 0.000 2.406 164 N HA 0.012 4.751 4.740 -0.002 0.000 0.269 164 N C 0.284 175.486 175.510 -0.513 0.000 1.210 164 N CA 0.336 52.798 53.050 -0.979 0.000 0.966 164 N CB 1.144 39.369 38.487 -0.437 0.000 1.293 164 N HN 0.481 nan 8.380 nan 0.000 0.491 165 V N 3.506 123.126 119.914 -0.490 0.000 3.563 165 V HA 0.243 4.361 4.120 -0.002 0.000 0.299 165 V C 1.440 177.409 176.094 -0.208 0.000 1.290 165 V CA 0.863 62.979 62.300 -0.307 0.000 1.201 165 V CB -0.547 31.137 31.823 -0.231 0.000 1.045 165 V HN 0.721 nan 8.190 nan 0.000 0.425 166 G N 0.465 109.144 108.800 -0.202 0.000 2.497 166 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.210 166 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.210 166 G C 0.991 175.847 174.900 -0.073 0.000 1.177 166 G CA 0.179 45.218 45.100 -0.102 0.000 0.822 166 G HN 0.539 nan 8.290 nan 0.000 0.550 167 N N 1.010 119.660 118.700 -0.082 0.000 2.551 167 N HA 0.086 4.825 4.740 -0.002 0.000 0.199 167 N C 0.254 175.727 175.510 -0.061 0.000 1.277 167 N CA 0.036 53.054 53.050 -0.054 0.000 0.870 167 N CB -0.172 38.289 38.487 -0.044 0.000 1.028 167 N HN 0.325 nan 8.380 nan 0.000 0.452 168 I N 2.139 122.659 120.570 -0.082 0.000 2.421 168 I HA -0.037 4.132 4.170 -0.002 0.000 0.291 168 I C 0.076 176.176 176.117 -0.028 0.000 1.089 168 I CA -0.688 60.561 61.300 -0.084 0.000 1.354 168 I CB -0.075 37.834 38.000 -0.151 0.000 1.413 168 I HN 0.127 nan 8.210 nan 0.000 0.513 169 N N 6.312 125.002 118.700 -0.018 0.000 2.440 169 N HA -0.067 4.672 4.740 -0.002 0.000 0.265 169 N C 0.205 175.729 175.510 0.023 0.000 1.239 169 N CA 0.000 53.052 53.050 0.003 0.000 0.909 169 N CB 0.328 38.816 38.487 0.002 0.000 1.066 169 N HN 0.400 nan 8.380 nan 0.000 0.474 170 N N 1.493 120.212 118.700 0.031 0.000 2.494 170 N HA -0.069 4.670 4.740 -0.002 0.000 0.182 170 N C -0.545 174.989 175.510 0.040 0.000 1.076 170 N CA 0.584 53.662 53.050 0.047 0.000 0.908 170 N CB 0.039 38.551 38.487 0.042 0.000 0.967 170 N HN 0.660 nan 8.380 nan 0.000 0.449 171 D N -0.128 120.289 120.400 0.028 0.000 2.538 171 D HA 0.272 4.911 4.640 -0.002 0.000 0.234 171 D C 0.759 177.074 176.300 0.024 0.000 1.191 171 D CA 0.208 54.221 54.000 0.023 0.000 0.828 171 D CB -0.015 40.794 40.800 0.016 0.000 0.981 171 D HN 0.227 nan 8.370 nan 0.000 0.490 172 K N -1.422 118.999 120.400 0.035 0.000 2.902 172 K HA 0.171 4.490 4.320 -0.002 0.000 0.098 172 K C 0.366 177.001 176.600 0.058 0.000 1.214 172 K CA 0.119 56.428 56.287 0.037 0.000 0.980 172 K CB -1.732 30.783 32.500 0.025 0.000 1.265 172 K HN 0.187 nan 8.250 nan 0.000 0.336 173 K N 1.358 121.809 120.400 0.085 0.000 2.155 173 K HA 0.536 4.855 4.320 -0.002 0.000 0.240 173 K C 0.309 177.057 176.600 0.246 0.000 1.193 173 K CA 0.564 56.942 56.287 0.151 0.000 1.104 173 K CB -0.298 32.323 32.500 0.201 0.000 1.558 173 K HN 0.443 nan 8.250 nan 0.000 0.313 174 D N 0.088 120.598 120.400 0.184 0.000 2.119 174 D HA 0.067 4.706 4.640 -0.002 0.000 0.311 174 D C 1.964 178.359 176.300 0.158 0.000 1.155 174 D CA 1.007 55.117 54.000 0.184 0.000 1.036 174 D CB 0.431 41.285 40.800 0.090 0.000 1.855 174 D HN 0.450 nan 8.370 nan 0.000 0.523 175 E N 0.278 120.537 120.200 0.097 0.000 2.472 175 E HA -0.049 4.300 4.350 -0.002 0.000 0.200 175 E C 1.704 178.340 176.600 0.061 0.000 1.046 175 E CA 1.730 58.172 56.400 0.071 0.000 0.871 175 E CB -1.151 28.575 29.700 0.043 0.000 0.806 175 E HN 0.503 nan 8.360 nan 0.000 0.533 176 T N -3.208 111.381 114.554 0.057 0.000 2.983 176 T HA 0.003 4.351 4.350 -0.002 0.000 0.250 176 T C 1.910 176.582 174.700 -0.047 0.000 1.037 176 T CA 1.003 63.084 62.100 -0.033 0.000 1.142 176 T CB -0.476 68.322 68.868 -0.118 0.000 0.876 176 T HN 0.457 nan 8.240 nan 0.000 0.455 177 Y N 2.136 122.479 120.300 0.072 0.000 2.263 177 Y HA 0.095 4.644 4.550 -0.002 0.000 0.292 177 Y C 3.462 179.509 175.900 0.245 0.000 1.130 177 Y CA 1.337 59.535 58.100 0.163 0.000 1.179 177 Y CB -0.523 38.050 38.460 0.189 0.000 0.998 177 Y HN 0.277 nan 8.280 nan 0.000 0.532 178 R N -0.417 120.260 120.500 0.296 0.000 2.096 178 R HA -0.101 4.238 4.340 -0.002 0.000 0.235 178 R C 2.278 178.679 176.300 0.168 0.000 1.127 178 R CA 1.681 57.909 56.100 0.213 0.000 0.968 178 R CB -1.553 28.823 30.300 0.128 0.000 0.861 178 R HN 0.296 nan 8.270 nan 0.000 0.440 179 S N -0.545 115.219 115.700 0.107 0.000 2.527 179 S HA 0.056 4.525 4.470 -0.002 0.000 0.222 179 S C 1.772 176.385 174.600 0.022 0.000 0.985 179 S CA 0.742 58.974 58.200 0.053 0.000 0.921 179 S CB -0.169 63.042 63.200 0.018 0.000 0.772 179 S HN 0.482 nan 8.310 nan 0.000 0.529 180 L N 0.419 121.652 121.223 0.017 0.000 2.102 180 L HA 0.399 4.737 4.340 -0.002 0.000 0.202 180 L C 1.288 178.068 176.870 -0.151 0.000 1.076 180 L CA 1.860 56.623 54.840 -0.128 0.000 0.761 180 L CB -0.794 41.104 42.059 -0.269 0.000 0.921 180 L HN 0.333 nan 8.230 nan 0.000 0.444 181 F N -0.146 119.845 119.950 0.068 0.000 2.811 181 F HA 0.093 4.619 4.527 -0.002 0.000 0.301 181 F C 2.600 178.434 175.800 0.057 0.000 1.151 181 F CA 0.875 58.922 58.000 0.079 0.000 1.412 181 F CB -0.958 38.099 39.000 0.094 0.000 1.113 181 F HN 0.311 nan 8.300 nan 0.000 0.579 182 Q N 0.018 119.919 119.800 0.168 0.000 2.187 182 Q HA -0.106 4.232 4.340 -0.002 0.000 0.199 182 Q C 1.544 177.579 176.000 0.059 0.000 0.957 182 Q CA 1.755 57.620 55.803 0.102 0.000 0.857 182 Q CB -0.602 28.180 28.738 0.075 0.000 0.929 182 Q HN 0.286 nan 8.270 nan 0.000 0.453 183 D N 0.135 120.553 120.400 0.030 0.000 2.249 183 D HA 0.042 4.681 4.640 -0.002 0.000 0.205 183 D C 1.432 177.738 176.300 0.010 0.000 0.962 183 D CA 0.412 54.416 54.000 0.007 0.000 0.860 183 D CB 0.218 41.008 40.800 -0.018 0.000 0.955 183 D HN 0.483 nan 8.370 nan 0.000 0.505 184 L N 0.375 121.611 121.223 0.021 0.000 2.645 184 L HA 0.078 4.417 4.340 -0.002 0.000 0.235 184 L C 1.543 178.463 176.870 0.084 0.000 1.150 184 L CA 0.361 55.228 54.840 0.045 0.000 0.911 184 L CB 0.158 42.242 42.059 0.041 0.000 1.077 184 L HN -0.144 nan 8.230 nan 0.000 0.438 185 E N -0.254 119.985 120.200 0.065 0.000 2.485 185 E HA 0.072 4.421 4.350 -0.002 0.000 0.213 185 E C 1.937 178.534 176.600 -0.004 0.000 0.923 185 E CA 0.125 56.549 56.400 0.041 0.000 1.054 185 E CB 0.233 29.974 29.700 0.068 0.000 1.077 185 E HN 0.291 nan 8.360 nan 0.000 0.509 186 L N 0.229 121.454 121.223 0.003 0.000 2.083 186 L HA -0.091 4.248 4.340 -0.002 0.000 0.209 186 L C 2.278 179.137 176.870 -0.019 0.000 1.083 186 L CA 1.930 56.766 54.840 -0.008 0.000 0.752 186 L CB -0.374 41.685 42.059 -0.001 0.000 0.899 186 L HN 0.142 nan 8.230 nan 0.000 0.433 187 K N -0.396 119.994 120.400 -0.018 0.000 2.399 187 K HA 0.377 4.696 4.320 -0.002 0.000 0.204 187 K C 1.019 177.589 176.600 -0.049 0.000 1.023 187 K CA 0.606 56.882 56.287 -0.018 0.000 1.127 187 K CB -0.267 32.229 32.500 -0.006 0.000 0.856 187 K HN 0.232 nan 8.250 nan 0.000 0.514 188 K N 2.148 122.493 120.400 -0.092 0.000 3.148 188 K HA -0.155 4.164 4.320 -0.002 0.000 0.267 188 K C -0.171 176.349 176.600 -0.134 0.000 0.996 188 K CA 1.260 57.433 56.287 -0.190 0.000 0.737 188 K CB -2.738 29.469 32.500 -0.489 0.000 1.308 188 K HN 0.700 nan 8.250 nan 0.000 0.470 189 E N 0.529 120.704 120.200 -0.041 0.000 2.415 189 E HA 0.123 4.472 4.350 -0.002 0.000 0.260 189 E C 0.964 177.543 176.600 -0.034 0.000 1.016 189 E CA -0.342 56.042 56.400 -0.026 0.000 0.924 189 E CB 0.768 30.485 29.700 0.028 0.000 0.961 189 E HN 0.450 nan 8.360 nan 0.000 0.459 190 R N 2.228 122.634 120.500 -0.157 0.000 2.446 190 R HA 0.152 4.491 4.340 -0.002 0.000 0.254 190 R C 0.142 176.282 176.300 -0.266 0.000 0.918 190 R CA 0.032 55.958 56.100 -0.290 0.000 1.069 190 R CB 0.746 30.789 30.300 -0.428 0.000 1.194 190 R HN 0.278 nan 8.270 nan 0.000 0.534 191 R N 0.848 121.156 120.500 -0.321 0.000 2.371 191 R HA 0.449 4.788 4.340 -0.002 0.000 0.312 191 R C -0.935 175.277 176.300 -0.147 0.000 0.980 191 R CA -0.373 55.410 56.100 -0.529 0.000 0.867 191 R CB 2.371 31.785 30.300 -1.477 0.000 1.163 191 R HN -0.231 nan 8.270 nan 0.000 0.492 192 V N 4.901 124.845 119.914 0.051 0.000 2.628 192 V HA 0.507 4.626 4.120 -0.002 0.000 0.306 192 V C 0.058 176.422 176.094 0.449 0.000 1.045 192 V CA -0.793 61.680 62.300 0.288 0.000 0.905 192 V CB 2.326 34.364 31.823 0.358 0.000 0.997 192 V HN 0.632 nan 8.190 nan 0.000 0.436 193 I N 5.001 125.825 120.570 0.424 0.000 2.355 193 I HA 0.380 4.549 4.170 -0.002 0.000 0.288 193 I C -0.598 175.621 176.117 0.170 0.000 0.999 193 I CA -0.368 61.134 61.300 0.336 0.000 1.163 193 I CB 1.439 39.673 38.000 0.391 0.000 1.316 193 I HN 0.342 nan 8.210 nan 0.000 0.454 194 L N 5.914 127.245 121.223 0.181 0.000 2.282 194 L HA 0.247 4.586 4.340 -0.002 0.000 0.287 194 L C -0.200 176.697 176.870 0.044 0.000 1.075 194 L CA -0.197 54.697 54.840 0.090 0.000 0.839 194 L CB 0.436 42.573 42.059 0.130 0.000 1.219 194 L HN 0.543 nan 8.230 nan 0.000 0.434 195 D N 3.070 123.422 120.400 -0.080 0.000 2.557 195 D HA 0.343 4.982 4.640 -0.002 0.000 0.236 195 D C -0.737 175.573 176.300 0.017 0.000 1.154 195 D CA -0.039 53.946 54.000 -0.026 0.000 0.985 195 D CB 0.232 40.972 40.800 -0.099 0.000 1.010 195 D HN 0.364 nan 8.370 nan 0.000 0.516 196 C N 0.901 120.234 119.300 0.054 0.000 3.318 196 C HA 0.917 5.376 4.460 -0.002 0.000 0.329 196 C C 0.649 175.695 174.990 0.094 0.000 1.449 196 C CA -0.891 58.164 59.018 0.061 0.000 1.397 196 C CB 0.931 28.698 27.740 0.046 0.000 1.810 196 C HN 0.548 nan 8.230 nan 0.000 0.449 197 E N -0.238 120.017 120.200 0.093 0.000 2.369 197 E HA 0.507 4.856 4.350 -0.002 0.000 0.255 197 E C 1.335 178.001 176.600 0.110 0.000 1.172 197 E CA 0.337 56.809 56.400 0.120 0.000 0.932 197 E CB 0.009 29.768 29.700 0.097 0.000 1.040 197 E HN 0.949 nan 8.360 nan 0.000 0.454 198 R N 0.150 120.728 120.500 0.130 0.000 2.200 198 R HA -0.127 4.212 4.340 -0.002 0.000 0.234 198 R C 1.649 177.985 176.300 0.060 0.000 1.127 198 R CA 2.353 58.516 56.100 0.105 0.000 0.989 198 R CB -0.848 29.525 30.300 0.121 0.000 0.869 198 R HN 0.726 nan 8.270 nan 0.000 0.459 199 D N -0.308 120.124 120.400 0.055 0.000 2.202 199 D HA 0.065 4.704 4.640 -0.002 0.000 0.214 199 D C 2.519 178.838 176.300 0.032 0.000 0.967 199 D CA 2.161 56.183 54.000 0.036 0.000 0.871 199 D CB -0.396 40.425 40.800 0.035 0.000 1.020 199 D HN 0.503 nan 8.370 nan 0.000 0.474 200 K N 1.062 121.488 120.400 0.044 0.000 2.281 200 K HA -0.049 4.270 4.320 -0.002 0.000 0.203 200 K C 2.170 178.797 176.600 0.045 0.000 1.046 200 K CA 0.951 57.269 56.287 0.051 0.000 0.938 200 K CB -1.155 31.376 32.500 0.053 0.000 0.737 200 K HN 0.098 nan 8.250 nan 0.000 0.458 201 V N 1.941 121.876 119.914 0.035 0.000 2.323 201 V HA -0.226 3.892 4.120 -0.002 0.000 0.244 201 V C 1.972 178.051 176.094 -0.025 0.000 1.041 201 V CA 1.732 64.042 62.300 0.017 0.000 1.025 201 V CB -0.474 31.365 31.823 0.027 0.000 0.656 201 V HN 0.614 nan 8.190 nan 0.000 0.451 202 N N 0.534 119.217 118.700 -0.029 0.000 2.166 202 N HA -0.159 4.580 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 1.561 54.576 53.050 -0.059 0.000 0.856 202 N CB -0.461 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 0.586 120.952 120.400 -0.058 0.000 2.097 203 D HA -0.058 4.581 4.640 -0.002 0.000 0.195 203 D C 2.088 178.284 176.300 -0.175 0.000 0.989 203 D CA 0.616 54.559 54.000 -0.095 0.000 0.827 203 D CB -0.270 40.515 40.800 -0.025 0.000 0.966 203 D HN 0.292 nan 8.370 nan 0.000 0.456 204 I N 0.347 120.868 120.570 -0.082 0.000 2.202 204 I HA -0.213 3.956 4.170 -0.002 0.000 0.242 204 I C 2.393 178.425 176.117 -0.141 0.000 1.091 204 I CA 0.577 61.846 61.300 -0.052 0.000 1.368 204 I CB -0.240 37.816 38.000 0.092 0.000 1.058 204 I HN -0.107 nan 8.210 nan 0.000 0.410 205 V N 0.995 120.810 119.914 -0.164 0.000 2.332 205 V HA -0.321 3.797 4.120 -0.002 0.000 0.248 205 V C 2.092 178.038 176.094 -0.247 0.000 1.055 205 V CA 2.062 64.222 62.300 -0.233 0.000 1.038 205 V CB -0.695 31.009 31.823 -0.198 0.000 0.651 205 V HN 0.412 nan 8.190 nan 0.000 0.450 206 D N -0.740 119.531 120.400 -0.215 0.000 2.117 206 D HA -0.143 4.496 4.640 -0.002 0.000 0.197 206 D C 2.394 178.542 176.300 -0.254 0.000 0.987 206 D CA 0.990 54.859 54.000 -0.218 0.000 0.829 206 D CB -0.260 40.434 40.800 -0.178 0.000 0.961 206 D HN 0.380 nan 8.370 nan 0.000 0.460 207 Q N 0.377 119.997 119.800 -0.300 0.000 2.084 207 Q HA -0.076 4.263 4.340 -0.002 0.000 0.202 207 Q C 2.516 178.314 176.000 -0.336 0.000 0.978 207 Q CA 0.505 56.106 55.803 -0.335 0.000 0.844 207 Q CB -0.513 27.927 28.738 -0.498 0.000 0.898 207 Q HN 0.221 nan 8.270 nan 0.000 0.426 208 V N 1.434 121.147 119.914 -0.336 0.000 2.332 208 V HA -0.260 3.858 4.120 -0.002 0.000 0.248 208 V C 2.312 178.235 176.094 -0.286 0.000 1.055 208 V CA 1.580 63.653 62.300 -0.379 0.000 1.038 208 V CB -0.546 31.067 31.823 -0.350 0.000 0.651 208 V HN 0.289 nan 8.190 nan 0.000 0.450 209 I N -0.373 120.000 120.570 -0.329 0.000 2.315 209 I HA -0.193 3.976 4.170 -0.002 0.000 0.248 209 I C 2.489 178.482 176.117 -0.207 0.000 1.117 209 I CA 1.619 62.650 61.300 -0.449 0.000 1.404 209 I CB -0.782 36.866 38.000 -0.588 0.000 1.071 209 I HN 0.304 nan 8.210 nan 0.000 0.419 210 T N 2.259 116.694 114.554 -0.199 0.000 2.708 210 T HA -0.133 4.216 4.350 -0.002 0.000 0.266 210 T C 1.847 176.482 174.700 -0.110 0.000 1.037 210 T CA 1.784 63.801 62.100 -0.137 0.000 1.146 210 T CB -0.352 68.430 68.868 -0.145 0.000 0.865 210 T HN 0.498 nan 8.240 nan 0.000 0.435 211 I N -0.753 119.718 120.570 -0.166 0.000 3.291 211 I HA 0.332 4.501 4.170 -0.002 0.000 0.279 211 I C 1.619 177.667 176.117 -0.116 0.000 1.294 211 I CA 0.552 61.757 61.300 -0.159 0.000 1.428 211 I CB -0.854 36.982 38.000 -0.274 0.000 1.070 211 I HN 0.374 nan 8.210 nan 0.000 0.478 212 G N 2.200 110.970 108.800 -0.050 0.000 2.147 212 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.244 212 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.244 212 G C 0.402 175.243 174.900 -0.098 0.000 1.005 212 G CA 0.195 45.318 45.100 0.038 0.000 0.713 212 G HN 0.573 nan 8.290 nan 0.000 0.515 213 K N 0.196 120.449 120.400 -0.245 0.000 2.862 213 K HA 0.227 4.546 4.320 -0.002 0.000 0.229 213 K C 1.126 177.417 176.600 -0.516 0.000 1.107 213 K CA 0.567 56.435 56.287 -0.698 0.000 1.222 213 K CB -0.164 31.860 32.500 -0.794 0.000 1.067 213 K HN 0.893 nan 8.250 nan 0.000 0.464 214 H N -2.811 116.115 119.070 -0.239 0.000 2.785 214 H HA 0.143 4.698 4.556 -0.002 0.000 0.268 214 H C 0.373 175.743 175.328 0.071 0.000 1.153 214 H CA -0.768 55.266 56.048 -0.023 0.000 1.111 214 H CB -0.040 29.684 29.762 -0.063 0.000 1.633 214 H HN -0.031 nan 8.280 nan 0.000 0.576 215 V N -1.666 118.114 119.914 -0.222 0.000 3.403 215 V HA 0.234 4.353 4.120 -0.002 0.000 0.305 215 V C 0.714 176.873 176.094 0.109 0.000 1.060 215 V CA -1.435 60.792 62.300 -0.122 0.000 1.053 215 V CB 1.247 33.004 31.823 -0.110 0.000 1.198 215 V HN 0.349 nan 8.190 nan 0.000 0.447 216 K N 0.389 120.825 120.400 0.060 0.000 2.511 216 K HA 0.374 4.693 4.320 -0.002 0.000 0.280 216 K C 0.993 177.630 176.600 0.062 0.000 1.008 216 K CA 1.155 57.480 56.287 0.063 0.000 1.050 216 K CB -0.103 32.415 32.500 0.031 0.000 0.889 216 K HN 1.496 nan 8.250 nan 0.000 0.484 217 G N 3.015 111.829 108.800 0.022 0.000 2.428 217 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.199 217 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.199 217 G C -0.770 173.996 174.900 -0.223 0.000 1.005 217 G CA -0.390 44.644 45.100 -0.110 0.000 0.671 217 G HN 0.564 nan 8.290 nan 0.000 0.485 218 Y N 1.468 121.743 120.300 -0.042 0.000 2.352 218 Y HA 0.772 5.321 4.550 -0.002 0.000 0.326 218 Y C 0.438 176.262 175.900 -0.127 0.000 1.166 218 Y CA -0.495 57.527 58.100 -0.130 0.000 1.182 218 Y CB 1.304 39.690 38.460 -0.124 0.000 1.216 218 Y HN 0.190 nan 8.280 nan 0.000 0.474 219 H N 2.957 121.909 119.070 -0.197 0.000 2.924 219 H HA 0.300 4.855 4.556 -0.002 0.000 0.333 219 H C -1.886 173.384 175.328 -0.096 0.000 0.979 219 H CA -0.909 55.094 56.048 -0.075 0.000 1.326 219 H CB 0.544 30.328 29.762 0.037 0.000 1.600 219 H HN 0.675 nan 8.280 nan 0.000 0.520 220 Y N 4.280 124.713 120.300 0.222 0.000 2.420 220 Y HA 0.440 4.989 4.550 -0.002 0.000 0.334 220 Y C 0.439 176.479 175.900 0.232 0.000 1.094 220 Y CA -0.774 57.488 58.100 0.270 0.000 1.126 220 Y CB 1.819 40.382 38.460 0.171 0.000 1.217 220 Y HN 0.414 nan 8.280 nan 0.000 0.462 221 I N 4.682 125.490 120.570 0.397 0.000 2.439 221 I HA 0.249 4.418 4.170 -0.002 0.000 0.283 221 I C -1.050 175.215 176.117 0.248 0.000 1.023 221 I CA -0.694 60.738 61.300 0.220 0.000 1.100 221 I CB 1.163 39.207 38.000 0.072 0.000 1.238 221 I HN 0.398 nan 8.210 nan 0.000 0.445 222 I N 5.607 126.334 120.570 0.262 0.000 2.347 222 I HA 0.133 4.302 4.170 -0.002 0.000 0.294 222 I C 1.145 177.460 176.117 0.330 0.000 1.090 222 I CA 0.083 61.550 61.300 0.278 0.000 1.314 222 I CB 0.656 38.851 38.000 0.325 0.000 1.423 222 I HN 0.588 nan 8.210 nan 0.000 0.503 223 A N 7.229 130.212 122.820 0.271 0.000 3.063 223 A HA 0.324 4.643 4.320 -0.002 0.000 0.263 223 A C 0.347 178.016 177.584 0.142 0.000 1.736 223 A CA -0.297 51.894 52.037 0.257 0.000 1.408 223 A CB -1.018 18.096 19.000 0.190 0.000 1.108 223 A HN 0.828 nan 8.150 nan 0.000 0.621 224 N N -1.128 117.678 118.700 0.177 0.000 2.825 224 N HA 0.308 5.047 4.740 -0.002 0.000 0.253 224 N C -0.382 175.084 175.510 -0.074 0.000 1.426 224 N CA -0.982 52.070 53.050 0.004 0.000 0.851 224 N CB 0.473 38.990 38.487 0.050 0.000 1.470 224 N HN -0.035 nan 8.380 nan 0.000 0.517 225 L N -0.892 120.043 121.223 -0.480 0.000 2.599 225 L HA 0.373 4.711 4.340 -0.002 0.000 0.230 225 L C 0.867 177.530 176.870 -0.345 0.000 1.141 225 L CA 0.317 54.868 54.840 -0.481 0.000 0.877 225 L CB -0.170 41.467 42.059 -0.703 0.000 1.009 225 L HN 0.809 nan 8.230 nan 0.000 0.447 226 G N -1.312 107.375 108.800 -0.189 0.000 4.487 226 G HA2 0.139 4.098 3.960 -0.002 0.000 0.339 226 G HA3 0.139 4.098 3.960 -0.002 0.000 0.339 226 G C 0.133 175.165 174.900 0.221 0.000 1.482 226 G CA -0.379 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 2.277 122.284 119.950 0.096 0.000 2.206 227 F HA -0.033 4.493 4.527 -0.002 0.000 0.298 227 F C 2.528 178.374 175.800 0.077 0.000 1.090 227 F CA 2.005 60.051 58.000 0.077 0.000 1.323 227 F CB 0.312 39.342 39.000 0.049 0.000 1.028 227 F HN 0.336 nan 8.300 nan 0.000 0.492 228 T N -3.537 111.083 114.554 0.111 0.000 3.107 228 T HA 0.051 4.400 4.350 -0.002 0.000 0.249 228 T C 1.151 175.862 174.700 0.018 0.000 1.096 228 T CA 0.499 62.598 62.100 -0.001 0.000 1.012 228 T CB -0.398 68.545 68.868 0.124 0.000 0.977 228 T HN 0.093 nan 8.240 nan 0.000 0.527 229 D N 1.923 122.371 120.400 0.081 0.000 2.224 229 D HA 0.161 4.800 4.640 -0.002 0.000 0.205 229 D C 1.292 177.617 176.300 0.042 0.000 0.965 229 D CA 0.661 54.726 54.000 0.109 0.000 0.852 229 D CB -0.333 40.586 40.800 0.200 0.000 0.947 229 D HN 0.623 nan 8.370 nan 0.000 0.494 230 G N -0.334 108.451 108.800 -0.025 0.000 2.488 230 G HA2 0.260 4.219 3.960 -0.002 0.000 0.318 230 G HA3 0.260 4.219 3.960 -0.002 0.000 0.318 230 G C -0.827 174.014 174.900 -0.099 0.000 1.188 230 G CA -0.469 44.600 45.100 -0.052 0.000 0.944 230 G HN -0.149 nan 8.290 nan 0.000 0.495 231 D N -0.300 120.050 120.400 -0.083 0.000 2.339 231 D HA 0.210 4.848 4.640 -0.002 0.000 0.256 231 D C 0.603 176.825 176.300 -0.130 0.000 1.214 231 D CA -0.346 53.600 54.000 -0.088 0.000 0.877 231 D CB 1.353 42.117 40.800 -0.060 0.000 1.111 231 D HN -0.011 nan 8.370 nan 0.000 0.478 232 L N 3.787 124.919 121.223 -0.150 0.000 2.701 232 L HA 0.223 4.562 4.340 -0.002 0.000 0.238 232 L C 1.985 178.776 176.870 -0.132 0.000 1.106 232 L CA 0.131 54.863 54.840 -0.180 0.000 0.898 232 L CB -0.156 41.743 42.059 -0.266 0.000 1.188 232 L HN 0.534 nan 8.230 nan 0.000 0.508 233 L N 0.170 121.345 121.223 -0.080 0.000 2.261 233 L HA -0.245 4.094 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 1.299 56.136 54.840 -0.006 0.000 0.777 233 L CB -0.423 41.671 42.059 0.059 0.000 0.910 233 L HN 0.418 nan 8.230 nan 0.000 0.440 234 K N 0.938 121.327 120.400 -0.017 0.000 2.044 234 K HA -0.067 4.252 4.320 -0.002 0.000 0.204 234 K C 1.437 178.009 176.600 -0.047 0.000 1.045 234 K CA 1.098 57.368 56.287 -0.028 0.000 0.951 234 K CB -0.373 32.071 32.500 -0.094 0.000 0.738 234 K HN 0.299 nan 8.250 nan 0.000 0.443 235 I N -0.118 120.400 120.570 -0.086 0.000 3.864 235 I HA 0.172 4.340 4.170 -0.002 0.000 0.326 235 I C 1.864 177.967 176.117 -0.023 0.000 1.444 235 I CA 0.103 61.379 61.300 -0.040 0.000 1.195 235 I CB 0.258 38.208 38.000 -0.083 0.000 1.124 235 I HN 0.163 nan 8.210 nan 0.000 0.407 236 Q N 0.919 120.653 119.800 -0.110 0.000 2.204 236 Q HA 0.095 4.434 4.340 -0.002 0.000 0.198 236 Q C 0.991 176.748 176.000 -0.406 0.000 0.946 236 Q CA 1.210 56.813 55.803 -0.334 0.000 0.859 236 Q CB 0.086 28.462 28.738 -0.604 0.000 0.946 236 Q HN 0.584 nan 8.270 nan 0.000 0.474 237 F N -1.046 118.941 119.950 0.062 0.000 2.695 237 F HA 0.359 4.885 4.527 -0.002 0.000 0.303 237 F C 1.747 177.602 175.800 0.092 0.000 1.091 237 F CA 0.214 58.252 58.000 0.064 0.000 1.300 237 F CB 0.200 39.228 39.000 0.047 0.000 1.071 237 F HN 0.120 nan 8.300 nan 0.000 0.578 238 G N 0.311 109.279 108.800 0.279 0.000 2.418 238 G HA2 0.176 4.135 3.960 -0.002 0.000 0.217 238 G HA3 0.176 4.135 3.960 -0.002 0.000 0.217 238 G C 1.750 176.679 174.900 0.050 0.000 1.158 238 G CA 1.160 46.415 45.100 0.258 0.000 0.771 238 G HN 0.575 nan 8.290 nan 0.000 0.545 239 G N -1.108 107.740 108.800 0.081 0.000 2.481 239 G HA2 0.209 4.168 3.960 -0.002 0.000 0.200 239 G HA3 0.209 4.168 3.960 -0.002 0.000 0.200 239 G C 0.602 175.541 174.900 0.065 0.000 1.012 239 G CA 0.366 45.499 45.100 0.054 0.000 0.676 239 G HN 1.370 nan 8.290 nan 0.000 0.488 240 A N 1.069 123.950 122.820 0.102 0.000 2.488 240 A HA 0.554 4.873 4.320 -0.002 0.000 0.249 240 A C 0.379 178.007 177.584 0.074 0.000 1.083 240 A CA 0.340 52.463 52.037 0.143 0.000 0.768 240 A CB 0.075 19.248 19.000 0.289 0.000 1.017 240 A HN 0.467 nan 8.150 nan 0.000 0.496 241 E N 1.022 121.201 120.200 -0.035 0.000 2.344 241 E HA 0.354 4.703 4.350 -0.002 0.000 0.270 241 E C -0.915 175.495 176.600 -0.316 0.000 1.021 241 E CA -0.085 56.195 56.400 -0.200 0.000 0.887 241 E CB 1.038 30.553 29.700 -0.309 0.000 0.997 241 E HN 0.361 nan 8.360 nan 0.000 0.429 242 V N 2.992 122.824 119.914 -0.135 0.000 2.487 242 V HA 0.282 4.401 4.120 -0.002 0.000 0.298 242 V C -0.257 175.854 176.094 0.028 0.000 1.028 242 V CA -0.550 61.760 62.300 0.017 0.000 0.860 242 V CB 1.883 33.810 31.823 0.173 0.000 0.991 242 V HN 0.613 nan 8.190 nan 0.000 0.427 243 S N 2.129 117.817 115.700 -0.021 0.000 2.638 243 S HA 1.004 5.473 4.470 -0.002 0.000 0.302 243 S C 0.229 174.629 174.600 -0.333 0.000 1.096 243 S CA -0.124 57.943 58.200 -0.222 0.000 0.953 243 S CB 2.193 65.335 63.200 -0.097 0.000 1.107 243 S HN 1.218 nan 8.310 nan 0.000 0.503 244 G N 0.029 108.295 108.800 -0.891 0.000 2.494 244 G HA2 0.625 4.584 3.960 -0.002 0.000 0.308 244 G HA3 0.625 4.584 3.960 -0.002 0.000 0.308 244 G C -2.302 171.988 174.900 -1.016 0.000 1.263 244 G CA -0.646 44.024 45.100 -0.717 0.000 0.840 244 G HN 0.453 nan 8.290 nan 0.000 0.479 245 F N -0.262 119.632 119.950 -0.093 0.000 2.556 245 F HA 0.736 5.261 4.527 -0.002 0.000 0.314 245 F C -0.090 175.729 175.800 0.032 0.000 1.106 245 F CA -0.761 57.200 58.000 -0.065 0.000 0.911 245 F CB 2.885 41.841 39.000 -0.074 0.000 1.190 245 F HN 0.404 nan 8.300 nan 0.000 0.448 246 Q N 2.152 122.070 119.800 0.198 0.000 2.321 246 Q HA 0.493 4.832 4.340 -0.002 0.000 0.270 246 Q C -0.536 175.540 176.000 0.127 0.000 1.032 246 Q CA -0.308 55.602 55.803 0.178 0.000 0.784 246 Q CB 1.894 30.751 28.738 0.198 0.000 1.264 246 Q HN 0.714 nan 8.270 nan 0.000 0.448 247 I N 3.412 124.030 120.570 0.081 0.000 3.265 247 I HA 0.221 4.390 4.170 -0.002 0.000 0.282 247 I C -0.446 175.668 176.117 -0.004 0.000 1.207 247 I CA 0.493 61.823 61.300 0.050 0.000 1.449 247 I CB 1.079 39.096 38.000 0.029 0.000 1.121 247 I HN 0.475 nan 8.210 nan 0.000 0.442 248 V N 3.137 123.020 119.914 -0.052 0.000 2.284 248 V HA 0.195 4.313 4.120 -0.002 0.000 0.260 248 V C -0.431 175.445 176.094 -0.362 0.000 1.084 248 V CA -0.680 61.468 62.300 -0.253 0.000 0.894 248 V CB 0.185 31.776 31.823 -0.387 0.000 1.119 248 V HN 0.138 nan 8.190 nan 0.000 0.484 249 D N 3.362 123.632 120.400 -0.216 0.000 2.344 249 D HA 0.096 4.734 4.640 -0.002 0.000 0.253 249 D C 0.505 176.709 176.300 -0.160 0.000 1.255 249 D CA -0.001 53.933 54.000 -0.111 0.000 0.894 249 D CB 0.632 41.410 40.800 -0.038 0.000 1.067 249 D HN 0.527 nan 8.370 nan 0.000 0.492 250 Y N 1.521 121.841 120.300 0.033 0.000 2.578 250 Y HA 0.026 4.574 4.550 -0.002 0.000 0.297 250 Y C 1.407 177.325 175.900 0.029 0.000 1.176 250 Y CA 0.031 58.149 58.100 0.031 0.000 1.315 250 Y CB 0.344 38.828 38.460 0.039 0.000 1.031 250 Y HN 0.343 nan 8.280 nan 0.000 0.524 251 D N -0.854 119.621 120.400 0.125 0.000 2.354 251 D HA -0.021 4.618 4.640 -0.002 0.000 0.209 251 D C -0.172 176.156 176.300 0.046 0.000 1.015 251 D CA 0.467 54.517 54.000 0.084 0.000 0.867 251 D CB 0.002 40.843 40.800 0.069 0.000 0.933 251 D HN 0.167 nan 8.370 nan 0.000 0.520 252 D N -0.009 120.405 120.400 0.023 0.000 2.390 252 D HA 0.001 4.640 4.640 -0.002 0.000 0.249 252 D C 1.466 177.779 176.300 0.023 0.000 1.144 252 D CA 0.079 54.083 54.000 0.006 0.000 0.880 252 D CB 1.422 42.210 40.800 -0.021 0.000 1.182 252 D HN -0.053 nan 8.370 nan 0.000 0.451 253 S N 2.472 118.186 115.700 0.023 0.000 2.419 253 S HA -0.196 4.273 4.470 -0.002 0.000 0.235 253 S C 1.926 176.549 174.600 0.038 0.000 1.019 253 S CA 0.436 58.655 58.200 0.031 0.000 0.982 253 S CB -0.248 62.966 63.200 0.024 0.000 0.789 253 S HN 0.564 nan 8.310 nan 0.000 0.490 254 L N 1.097 122.338 121.223 0.030 0.000 2.005 254 L HA -0.038 4.301 4.340 -0.002 0.000 0.207 254 L C 2.465 179.364 176.870 0.048 0.000 1.072 254 L CA 1.379 56.245 54.840 0.042 0.000 0.744 254 L CB -0.330 41.748 42.059 0.031 0.000 0.895 254 L HN 0.237 nan 8.230 nan 0.000 0.433 255 V N -1.207 118.712 119.914 0.008 0.000 2.427 255 V HA -0.243 3.876 4.120 -0.002 0.000 0.248 255 V C 2.681 178.836 176.094 0.102 0.000 1.051 255 V CA 1.743 64.037 62.300 -0.010 0.000 1.048 255 V CB -0.308 31.437 31.823 -0.131 0.000 0.666 255 V HN 0.536 nan 8.190 nan 0.000 0.456 256 S N 0.261 116.017 115.700 0.094 0.000 2.383 256 S HA -0.254 4.215 4.470 -0.002 0.000 0.229 256 S C 2.249 176.908 174.600 0.098 0.000 1.030 256 S CA 2.263 60.531 58.200 0.113 0.000 1.002 256 S CB -0.290 62.960 63.200 0.083 0.000 0.829 256 S HN 0.677 nan 8.310 nan 0.000 0.467 257 K N 0.404 120.856 120.400 0.087 0.000 2.103 257 K HA 0.062 4.381 4.320 -0.002 0.000 0.204 257 K C 1.791 178.435 176.600 0.073 0.000 1.052 257 K CA 1.434 57.760 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 0.607 nan 8.250 nan 0.000 0.443 258 F N 0.863 120.787 119.950 -0.044 0.000 2.102 258 F HA -0.075 4.451 4.527 -0.002 0.000 0.298 258 F C 1.887 177.680 175.800 -0.012 0.000 1.105 258 F CA 1.359 59.306 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 1.653 122.304 120.570 0.135 0.000 2.286 259 I HA -0.193 3.976 4.170 -0.002 0.000 0.248 259 I C 2.796 178.922 176.117 0.016 0.000 1.115 259 I CA 1.824 63.191 61.300 0.113 0.000 1.392 259 I CB -1.599 36.525 38.000 0.206 0.000 1.065 259 I HN 0.347 nan 8.210 nan 0.000 0.418 260 E N 0.757 120.954 120.200 -0.005 0.000 2.130 260 E HA -0.271 4.078 4.350 -0.002 0.000 0.196 260 E C 2.532 179.076 176.600 -0.093 0.000 0.998 260 E CA 2.228 58.606 56.400 -0.036 0.000 0.806 260 E CB -1.089 28.598 29.700 -0.021 0.000 0.738 260 E HN 0.603 nan 8.360 nan 0.000 0.459 261 R N -0.713 119.699 120.500 -0.148 0.000 2.206 261 R HA 0.169 4.508 4.340 -0.002 0.000 0.198 261 R C 2.113 178.252 176.300 -0.267 0.000 0.986 261 R CA 1.017 56.996 56.100 -0.203 0.000 1.029 261 R CB -1.188 28.981 30.300 -0.219 0.000 0.966 261 R HN 0.763 nan 8.270 nan 0.000 0.487 262 W N 2.063 123.044 121.300 -0.532 0.000 2.379 262 W HA -0.196 4.463 4.660 -0.002 0.000 0.307 262 W C 1.760 178.080 176.519 -0.331 0.000 1.200 262 W CA 2.410 59.438 57.345 -0.528 0.000 1.297 262 W CB -0.339 28.722 29.460 -0.664 0.000 1.140 262 W HN 0.434 nan 8.180 nan 0.000 0.507 263 S N -0.016 115.621 115.700 -0.105 0.000 2.469 263 S HA -0.198 4.270 4.470 -0.002 0.000 0.238 263 S C 1.597 175.864 174.600 -0.554 0.000 0.998 263 S CA 1.846 59.893 58.200 -0.254 0.000 0.957 263 S CB -0.998 62.132 63.200 -0.116 0.000 0.764 263 S HN 0.356 nan 8.310 nan 0.000 0.514 264 T N -0.471 113.853 114.554 -0.384 0.000 3.037 264 T HA 0.362 4.711 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 61.479 62.100 -0.290 0.000 1.091 264 T CB -0.644 68.127 68.868 -0.162 0.000 0.935 264 T HN 0.322 nan 8.240 nan 0.000 0.488 265 L N 2.257 123.296 121.223 -0.306 0.000 2.529 265 L HA 0.105 4.444 4.340 -0.002 0.000 0.287 265 L C 0.827 177.678 176.870 -0.031 0.000 1.241 265 L CA 0.011 54.684 54.840 -0.278 0.000 0.857 265 L CB 0.153 41.833 42.059 -0.632 0.000 1.113 265 L HN 0.408 nan 8.230 nan 0.000 0.504 266 E N 2.389 122.617 120.200 0.047 0.000 2.351 266 E HA -0.082 4.266 4.350 -0.002 0.000 0.266 266 E C 0.687 177.338 176.600 0.085 0.000 1.031 266 E CA -0.055 56.394 56.400 0.082 0.000 0.911 266 E CB 0.677 30.419 29.700 0.070 0.000 0.986 266 E HN 0.575 nan 8.360 nan 0.000 0.446 267 E N 3.353 123.563 120.200 0.017 0.000 2.347 267 E HA -0.195 4.154 4.350 -0.002 0.000 0.196 267 E C 1.854 178.454 176.600 0.001 0.000 1.008 267 E CA 1.240 57.643 56.400 0.005 0.000 0.852 267 E CB 0.141 29.814 29.700 -0.044 0.000 0.783 267 E HN 0.571 nan 8.360 nan 0.000 0.505 268 K N 0.576 120.969 120.400 -0.013 0.000 2.007 268 K HA -0.094 4.225 4.320 -0.002 0.000 0.206 268 K C 2.087 178.662 176.600 -0.042 0.000 1.047 268 K CA 1.682 57.953 56.287 -0.026 0.000 0.937 268 K CB -1.431 31.050 32.500 -0.032 0.000 0.718 268 K HN 0.343 nan 8.250 nan 0.000 0.438 269 E N -0.515 119.651 120.200 -0.057 0.000 2.112 269 E HA 0.090 4.439 4.350 -0.002 0.000 0.190 269 E C 0.396 176.785 176.600 -0.352 0.000 0.979 269 E CA 0.776 57.052 56.400 -0.206 0.000 0.814 269 E CB -0.241 29.306 29.700 -0.255 0.000 0.762 269 E HN 0.750 nan 8.360 nan 0.000 0.460 270 Y N 1.089 121.355 120.300 -0.058 0.000 2.854 270 Y HA 0.324 4.873 4.550 -0.002 0.000 0.330 270 Y C -2.323 173.535 175.900 -0.069 0.000 1.037 270 Y CA -3.339 54.712 58.100 -0.081 0.000 1.263 270 Y CB 1.403 39.736 38.460 -0.212 0.000 1.120 270 Y HN 0.056 nan 8.280 nan 0.000 0.532 271 P HA -0.027 nan 4.420 nan 0.000 0.264 271 P C 0.805 178.177 177.300 0.121 0.000 1.183 271 P CA 0.901 64.053 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 2.792 111.654 108.800 0.105 0.000 2.366 272 G HA2 -0.101 3.857 3.960 -0.002 0.000 0.299 272 G HA3 -0.101 3.857 3.960 -0.002 0.000 0.299 272 G C 0.668 175.686 174.900 0.197 0.000 1.020 272 G CA 0.210 45.400 45.100 0.151 0.000 1.026 272 G HN 0.816 nan 8.290 nan 0.000 0.512 273 A N -0.923 121.897 122.820 0.000 0.000 2.585 273 A HA 0.521 4.840 4.320 -0.002 0.000 0.266 273 A C 0.598 177.847 177.584 -0.559 0.000 1.178 273 A CA 0.669 52.425 52.037 -0.468 0.000 0.966 273 A CB 0.407 18.807 19.000 -1.001 0.000 1.170 273 A HN 0.761 nan 8.150 nan 0.000 0.558 274 H N 1.794 120.735 119.070 -0.215 0.000 2.540 274 H HA 0.398 4.953 4.556 -0.002 0.000 0.264 274 H C 0.263 175.584 175.328 -0.012 0.000 1.427 274 H CA 0.838 56.795 56.048 -0.153 0.000 1.103 274 H CB -0.129 29.573 29.762 -0.099 0.000 1.572 274 H HN 0.365 nan 8.280 nan 0.000 0.511 275 T N -3.619 110.982 114.554 0.078 0.000 2.887 275 T HA 0.572 4.920 4.350 -0.002 0.000 0.292 275 T C 1.027 175.839 174.700 0.187 0.000 1.087 275 T CA -0.472 61.718 62.100 0.150 0.000 1.009 275 T CB 1.520 70.516 68.868 0.213 0.000 1.203 275 T HN 0.100 nan 8.240 nan 0.000 0.518 276 A N 0.565 123.446 122.820 0.102 0.000 2.218 276 A HA 0.415 4.734 4.320 -0.002 0.000 0.209 276 A C 1.290 178.903 177.584 0.047 0.000 1.168 276 A CA 0.846 52.923 52.037 0.066 0.000 0.804 276 A CB -0.849 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 0.080 0.000 2.910 277 T HA 0.719 5.068 4.350 -0.002 0.000 0.287 277 T C -0.576 174.242 174.700 0.197 0.000 1.050 277 T CA -0.774 61.368 62.100 0.071 0.000 1.011 277 T CB 1.645 70.483 68.868 -0.049 0.000 1.195 277 T HN 0.461 nan 8.240 nan 0.000 0.540 278 I N -0.479 120.232 120.570 0.235 0.000 2.680 278 I HA 0.624 4.793 4.170 -0.002 0.000 0.291 278 I C -0.264 175.928 176.117 0.126 0.000 1.244 278 I CA -0.909 60.440 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 5.134 125.600 120.400 0.109 0.000 2.436 279 K HA 0.034 4.353 4.320 -0.002 0.000 0.275 279 K C 0.242 176.883 176.600 0.069 0.000 0.999 279 K CA 0.861 57.212 56.287 0.108 0.000 0.980 279 K CB -0.377 32.152 32.500 0.048 0.000 0.919 279 K HN 0.777 nan 8.250 nan 0.000 0.484 280 Y N 0.628 120.975 120.300 0.079 0.000 2.333 280 Y HA -0.206 4.343 4.550 -0.002 0.000 0.290 280 Y C 2.278 178.227 175.900 0.082 0.000 1.144 280 Y CA 1.790 59.923 58.100 0.056 0.000 1.228 280 Y CB -1.020 37.481 38.460 0.069 0.000 0.985 280 Y HN 0.660 nan 8.280 nan 0.000 0.542 281 T N -2.565 111.621 114.554 -0.613 0.000 2.777 281 T HA -0.159 4.190 4.350 -0.002 0.000 0.266 281 T C 1.884 176.608 174.700 0.040 0.000 1.040 281 T CA 1.442 63.352 62.100 -0.316 0.000 1.141 281 T CB -0.891 67.772 68.868 -0.342 0.000 0.868 281 T HN 0.415 nan 8.240 nan 0.000 0.444 282 S N 1.851 117.576 115.700 0.042 0.000 2.371 282 S HA 0.224 4.693 4.470 -0.002 0.000 0.224 282 S C 2.647 177.303 174.600 0.093 0.000 1.029 282 S CA 0.775 59.063 58.200 0.147 0.000 0.978 282 S CB -0.768 62.505 63.200 0.121 0.000 0.833 282 S HN 0.753 nan 8.310 nan 0.000 0.466 283 A N 1.497 124.307 122.820 -0.018 0.000 1.933 283 A HA 0.013 4.332 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 1.067 53.043 52.037 -0.101 0.000 0.628 283 A CB -0.670 18.241 19.000 -0.149 0.000 0.814 283 A HN 0.453 nan 8.150 nan 0.000 0.444 284 L N -0.898 120.382 121.223 0.094 0.000 2.156 284 L HA -0.124 4.215 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 1.551 56.466 54.840 0.126 0.000 0.770 284 L CB -0.808 41.335 42.059 0.139 0.000 0.914 284 L HN 0.337 nan 8.230 nan 0.000 0.439 285 T N -1.075 113.639 114.554 0.268 0.000 2.708 285 T HA -0.271 4.078 4.350 -0.002 0.000 0.266 285 T C 1.694 176.496 174.700 0.170 0.000 1.037 285 T CA 1.585 63.894 62.100 0.348 0.000 1.146 285 T CB -0.388 68.835 68.868 0.591 0.000 0.865 285 T HN 0.344 nan 8.240 nan 0.000 0.435 286 Y N 2.181 122.524 120.300 0.073 0.000 2.181 286 Y HA -0.165 4.384 4.550 -0.002 0.000 0.288 286 Y C 1.974 177.861 175.900 -0.020 0.000 1.146 286 Y CA 1.476 59.598 58.100 0.037 0.000 1.164 286 Y CB -0.288 38.148 38.460 -0.039 0.000 0.982 286 Y HN 0.116 nan 8.280 nan 0.000 0.515 287 D N 0.108 120.535 120.400 0.045 0.000 2.264 287 D HA -0.095 4.544 4.640 -0.002 0.000 0.208 287 D C 2.188 178.393 176.300 -0.159 0.000 0.966 287 D CA 1.099 55.053 54.000 -0.077 0.000 0.864 287 D CB -0.349 40.467 40.800 0.025 0.000 0.933 287 D HN 0.520 nan 8.370 nan 0.000 0.499 288 A N 0.533 123.285 122.820 -0.113 0.000 1.898 288 A HA -0.117 4.202 4.320 -0.002 0.000 0.216 288 A C 2.482 179.901 177.584 -0.275 0.000 1.181 288 A CA 0.970 52.929 52.037 -0.131 0.000 0.620 288 A CB -0.664 18.276 19.000 -0.099 0.000 0.819 288 A HN 0.134 nan 8.150 nan 0.000 0.442 289 V N 0.193 119.875 119.914 -0.387 0.000 2.332 289 V HA -0.341 3.778 4.120 -0.002 0.000 0.248 289 V C 2.728 178.495 176.094 -0.545 0.000 1.055 289 V CA 2.373 64.415 62.300 -0.430 0.000 1.038 289 V CB -0.878 30.681 31.823 -0.440 0.000 0.651 289 V HN 0.788 nan 8.190 nan 0.000 0.450 290 Q N -0.300 118.972 119.800 -0.879 0.000 2.124 290 Q HA -0.173 4.165 4.340 -0.002 0.000 0.202 290 Q C 2.201 177.888 176.000 -0.522 0.000 0.977 290 Q CA 1.966 57.053 55.803 -1.193 0.000 0.850 290 Q CB -0.038 27.869 28.738 -1.385 0.000 0.901 290 Q HN 0.539 nan 8.270 nan 0.000 0.429 291 V N 0.763 120.489 119.914 -0.313 0.000 2.358 291 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 291 V C 2.275 178.291 176.094 -0.130 0.000 1.047 291 V CA 1.845 64.061 62.300 -0.140 0.000 1.035 291 V CB -0.465 31.337 31.823 -0.036 0.000 0.658 291 V HN 0.450 nan 8.190 nan 0.000 0.452 292 M N -0.569 118.946 119.600 -0.142 0.000 2.229 292 M HA -0.128 4.351 4.480 -0.002 0.000 0.264 292 M C 2.204 178.479 176.300 -0.043 0.000 1.063 292 M CA 1.753 57.004 55.300 -0.080 0.000 1.114 292 M CB -0.719 31.848 32.600 -0.055 0.000 1.387 292 M HN 0.330 nan 8.290 nan 0.000 0.420 293 T N -0.104 114.412 114.554 -0.064 0.000 2.701 293 T HA -0.148 4.201 4.350 -0.002 0.000 0.263 293 T C 1.689 176.457 174.700 0.113 0.000 1.040 293 T CA 1.576 63.725 62.100 0.082 0.000 1.147 293 T CB -0.202 68.658 68.868 -0.013 0.000 0.865 293 T HN 0.323 nan 8.240 nan 0.000 0.426 294 E N 1.327 121.523 120.200 -0.007 0.000 2.204 294 E HA -0.014 4.335 4.350 -0.002 0.000 0.195 294 E C 2.034 178.633 176.600 -0.002 0.000 0.990 294 E CA 1.135 57.542 56.400 0.013 0.000 0.821 294 E CB -0.398 29.287 29.700 -0.026 0.000 0.750 294 E HN 0.454 nan 8.360 nan 0.000 0.477 295 A N -0.001 122.797 122.820 -0.037 0.000 1.872 295 A HA 0.008 4.327 4.320 -0.002 0.000 0.214 295 A C 2.543 180.066 177.584 -0.102 0.000 1.187 295 A CA 1.711 53.709 52.037 -0.064 0.000 0.614 295 A CB -1.274 17.679 19.000 -0.077 0.000 0.826 295 A HN 0.442 nan 8.150 nan 0.000 0.442 296 F N -0.290 119.570 119.950 -0.151 0.000 2.451 296 F HA 0.201 4.727 4.527 -0.002 0.000 0.299 296 F C 2.869 178.387 175.800 -0.470 0.000 1.101 296 F CA 2.033 59.825 58.000 -0.347 0.000 1.436 296 F CB -1.391 37.315 39.000 -0.491 0.000 1.074 296 F HN 0.568 nan 8.300 nan 0.000 0.553 297 R N 0.316 120.703 120.500 -0.189 0.000 2.100 297 R HA -0.053 4.286 4.340 -0.002 0.000 0.220 297 R C 1.775 178.064 176.300 -0.018 0.000 1.091 297 R CA 1.280 57.384 56.100 0.007 0.000 0.986 297 R CB -1.767 28.698 30.300 0.275 0.000 0.888 297 R HN 0.599 nan 8.270 nan 0.000 0.444 298 N N 0.454 119.134 118.700 -0.032 0.000 2.512 298 N HA -0.018 4.720 4.740 -0.002 0.000 0.183 298 N C 1.073 176.552 175.510 -0.052 0.000 1.073 298 N CA 0.691 53.724 53.050 -0.028 0.000 0.911 298 N CB 0.249 38.722 38.487 -0.023 0.000 0.964 298 N HN 0.255 nan 8.380 nan 0.000 0.447 299 L N 0.621 121.787 121.223 -0.094 0.000 2.249 299 L HA 0.089 4.428 4.340 -0.002 0.000 0.207 299 L C 2.686 179.499 176.870 -0.094 0.000 1.090 299 L CA 0.940 55.720 54.840 -0.099 0.000 0.802 299 L CB -0.871 41.108 42.059 -0.133 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 -0.112 0.000 2.073 300 R HA -0.029 4.310 4.340 -0.002 0.000 0.229 300 R C 2.304 178.589 176.300 -0.025 0.000 1.120 300 R CA 1.678 57.734 56.100 -0.074 0.000 0.967 300 R CB -1.548 28.711 30.300 -0.068 0.000 0.862 300 R HN 0.409 nan 8.270 nan 0.000 0.436 301 K N -0.185 120.208 120.400 -0.011 0.000 2.439 301 K HA 0.132 4.451 4.320 -0.002 0.000 0.197 301 K C 2.232 178.828 176.600 -0.006 0.000 1.041 301 K CA 1.550 57.839 56.287 0.003 0.000 0.970 301 K CB -0.805 31.704 32.500 0.015 0.000 0.773 301 K HN 0.774 nan 8.250 nan 0.000 0.479 302 Q N -1.246 118.543 119.800 -0.017 0.000 2.319 302 Q HA 0.440 4.779 4.340 -0.002 0.000 0.202 302 Q C 1.294 177.284 176.000 -0.017 0.000 0.896 302 Q CA 1.349 57.142 55.803 -0.017 0.000 0.942 302 Q CB -0.661 28.063 28.738 -0.024 0.000 1.083 302 Q HN 1.509 nan 8.270 nan 0.000 0.510 303 R N -0.189 120.300 120.500 -0.017 0.000 3.267 303 R HA -0.112 4.226 4.340 -0.002 0.000 0.254 303 R C -0.024 176.266 176.300 -0.016 0.000 0.993 303 R CA 1.331 57.422 56.100 -0.014 0.000 0.670 303 R CB -3.042 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 0.916 121.470 120.570 -0.027 0.000 2.382 304 I HA 0.532 4.701 4.170 -0.002 0.000 0.285 304 I C 0.903 177.006 176.117 -0.024 0.000 1.007 304 I CA -0.286 60.999 61.300 -0.025 0.000 1.142 304 I CB 1.950 39.930 38.000 -0.034 0.000 1.289 304 I HN 0.668 nan 8.210 nan 0.000 0.453 305 E N 7.474 127.671 120.200 -0.005 0.000 2.259 305 E HA 0.393 4.742 4.350 -0.002 0.000 0.281 305 E C 0.305 176.927 176.600 0.036 0.000 1.037 305 E CA -0.330 56.077 56.400 0.011 0.000 0.854 305 E CB 0.987 30.701 29.700 0.022 0.000 1.051 305 E HN 0.780 nan 8.360 nan 0.000 0.409 306 I N -0.861 119.745 120.570 0.061 0.000 4.442 306 I HA 0.303 4.472 4.170 -0.002 0.000 0.331 306 I C 0.952 177.250 176.117 0.302 0.000 1.364 306 I CA -0.280 61.107 61.300 0.145 0.000 1.207 306 I CB 0.872 38.937 38.000 0.108 0.000 1.298 306 I HN 0.319 nan 8.210 nan 0.000 0.463 307 S N 2.928 118.761 115.700 0.221 0.000 2.544 307 S HA 0.331 4.800 4.470 -0.002 0.000 0.290 307 S C 0.901 175.651 174.600 0.250 0.000 1.276 307 S CA 0.274 58.642 58.200 0.280 0.000 1.075 307 S CB 0.098 63.388 63.200 0.150 0.000 0.849 307 S HN 0.630 nan 8.310 nan 0.000 0.494 308 R N 2.553 123.190 120.500 0.229 0.000 2.623 308 R HA 0.461 4.800 4.340 -0.002 0.000 0.271 308 R C 1.540 177.857 176.300 0.027 0.000 1.043 308 R CA 0.713 56.854 56.100 0.068 0.000 1.083 308 R CB -0.999 29.184 30.300 -0.194 0.000 0.974 308 R HN 1.022 nan 8.270 nan 0.000 0.436 309 R N 0.352 120.863 120.500 0.017 0.000 2.193 309 R HA 0.334 4.673 4.340 -0.002 0.000 0.213 309 R C 1.417 177.695 176.300 -0.036 0.000 1.055 309 R CA 1.740 57.843 56.100 0.004 0.000 0.995 309 R CB -0.581 29.729 30.300 0.016 0.000 0.893 309 R HN 1.997 nan 8.270 nan 0.000 0.459 310 G N -1.365 107.383 108.800 -0.086 0.000 2.341 310 G HA2 0.284 4.243 3.960 -0.002 0.000 0.299 310 G HA3 0.284 4.243 3.960 -0.002 0.000 0.299 310 G C -1.774 173.009 174.900 -0.195 0.000 1.274 310 G CA -0.519 44.512 45.100 -0.115 0.000 0.853 310 G HN 0.281 nan 8.290 nan 0.000 0.493 311 N N 0.382 118.967 118.700 -0.191 0.000 2.407 311 N HA 0.337 5.076 4.740 -0.002 0.000 0.250 311 N C 1.303 176.622 175.510 -0.319 0.000 1.236 311 N CA 0.605 53.501 53.050 -0.258 0.000 0.879 311 N CB 1.526 39.897 38.487 -0.192 0.000 1.088 311 N HN 0.815 nan 8.380 nan 0.000 0.450 312 A N 1.313 123.832 122.820 -0.502 0.000 2.067 312 A HA 0.341 4.660 4.320 -0.002 0.000 0.217 312 A C 1.101 178.486 177.584 -0.331 0.000 1.156 312 A CA 1.185 52.851 52.037 -0.618 0.000 0.683 312 A CB -0.827 17.348 19.000 -1.376 0.000 0.808 312 A HN 0.997 nan 8.150 nan 0.000 0.455 313 G N -0.704 107.943 108.800 -0.255 0.000 2.728 313 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.294 313 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.294 313 G C -0.790 174.129 174.900 0.033 0.000 1.342 313 G CA -0.124 44.927 45.100 -0.082 0.000 0.866 313 G HN 0.447 nan 8.290 nan 0.000 0.534 314 D N -0.063 120.378 120.400 0.070 0.000 2.389 314 D HA 0.319 4.958 4.640 -0.002 0.000 0.247 314 D C 2.036 178.455 176.300 0.198 0.000 1.128 314 D CA 0.140 54.211 54.000 0.120 0.000 0.884 314 D CB 0.657 41.500 40.800 0.072 0.000 1.194 314 D HN 1.036 nan 8.370 nan 0.000 0.441 315 c N 3.141 121.883 118.600 0.235 0.000 2.432 315 c HA 0.025 4.594 4.570 -0.002 0.000 0.282 315 c C 2.324 176.491 174.090 0.129 0.000 1.388 315 c CA -0.214 56.211 56.329 0.161 0.000 1.777 315 c CB -1.261 41.345 42.510 0.161 0.000 1.882 315 c HN 0.640 nan 8.230 nan 0.000 0.520 316 L N 1.544 122.845 121.223 0.130 0.000 2.627 316 L HA 0.214 4.553 4.340 -0.002 0.000 0.233 316 L C 1.703 178.602 176.870 0.049 0.000 1.144 316 L CA 0.005 54.896 54.840 0.086 0.000 0.892 316 L CB -0.811 41.302 42.059 0.091 0.000 1.039 316 L HN 0.327 nan 8.230 nan 0.000 0.442 317 A N 1.271 124.126 122.820 0.058 0.000 2.566 317 A HA 0.022 4.341 4.320 -0.002 0.000 0.245 317 A C 0.200 177.796 177.584 0.019 0.000 1.056 317 A CA 0.416 52.478 52.037 0.042 0.000 0.757 317 A CB -0.153 18.881 19.000 0.056 0.000 0.979 317 A HN 0.349 nan 8.150 nan 0.000 0.508 318 N N 2.682 121.389 118.700 0.013 0.000 2.399 318 N HA 0.552 5.291 4.740 -0.002 0.000 0.284 318 N C -2.791 172.721 175.510 0.004 0.000 1.025 318 N CA -1.245 51.806 53.050 0.002 0.000 0.885 318 N CB 1.256 39.742 38.487 -0.001 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 -1.011 176.289 177.300 -0.000 0.000 1.228 319 P CA -0.563 62.535 63.100 -0.004 0.000 0.786 319 P CB 0.575 32.273 31.700 -0.003 0.000 0.927 320 A N 2.049 124.863 122.820 -0.010 0.000 2.347 320 A HA 0.384 4.703 4.320 -0.002 0.000 0.287 320 A C -0.172 177.412 177.584 0.001 0.000 1.199 320 A CA -0.466 51.567 52.037 -0.005 0.000 0.851 320 A CB 0.067 19.045 19.000 -0.037 0.000 1.118 320 A HN 0.490 nan 8.150 nan 0.000 0.525 321 V N 6.012 125.939 119.914 0.022 0.000 2.347 321 V HA 0.531 4.650 4.120 -0.002 0.000 0.280 321 V C -2.388 173.728 176.094 0.037 0.000 1.021 321 V CA -1.974 60.336 62.300 0.016 0.000 0.847 321 V CB 1.227 33.064 31.823 0.024 0.000 0.990 321 V HN 0.812 nan 8.190 nan 0.000 0.444 322 P HA 0.233 nan 4.420 nan 0.000 0.276 322 P C -0.707 176.578 177.300 -0.025 0.000 1.243 322 P CA -0.197 62.827 63.100 -0.127 0.000 0.768 322 P CB 0.253 31.498 31.700 -0.759 0.000 0.856 323 W N 3.011 124.245 121.300 -0.109 0.000 2.368 323 W HA 0.328 4.987 4.660 -0.002 0.000 0.316 323 W C 0.709 177.208 176.519 -0.034 0.000 1.375 323 W CA -0.958 56.361 57.345 -0.044 0.000 1.261 323 W CB -0.882 28.588 29.460 0.016 0.000 1.298 323 W HN 0.612 nan 8.180 nan 0.000 0.539 324 G N 2.038 110.806 108.800 -0.053 0.000 2.499 324 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.221 324 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.221 324 G C 1.511 176.286 174.900 -0.209 0.000 1.109 324 G CA 1.582 46.613 45.100 -0.116 0.000 0.749 324 G HN 0.752 nan 8.290 nan 0.000 0.568 325 Q N 0.244 119.852 119.800 -0.321 0.000 2.364 325 Q HA 0.181 4.520 4.340 -0.002 0.000 0.207 325 Q C 2.628 178.200 176.000 -0.713 0.000 0.970 325 Q CA 1.713 57.267 55.803 -0.414 0.000 0.888 325 Q CB -0.852 27.756 28.738 -0.217 0.000 0.951 325 Q HN 0.534 nan 8.270 nan 0.000 0.469 326 G N -0.252 107.921 108.800 -1.045 0.000 2.421 326 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.217 326 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.217 326 G C 1.675 176.614 174.900 0.066 0.000 1.143 326 G CA 0.991 45.725 45.100 -0.609 0.000 0.784 326 G HN 0.483 nan 8.290 nan 0.000 0.541 327 V N 0.874 120.853 119.914 0.108 0.000 2.490 327 V HA -0.129 3.990 4.120 -0.002 0.000 0.250 327 V C 2.704 178.785 176.094 -0.021 0.000 1.061 327 V CA 1.807 64.194 62.300 0.144 0.000 1.064 327 V CB -0.229 31.676 31.823 0.136 0.000 0.670 327 V HN 0.306 nan 8.190 nan 0.000 0.461 328 E N -0.035 120.133 120.200 -0.053 0.000 2.112 328 E HA -0.028 4.321 4.350 -0.002 0.000 0.190 328 E C 2.184 178.745 176.600 -0.064 0.000 0.979 328 E CA 0.935 57.296 56.400 -0.064 0.000 0.814 328 E CB -0.128 29.533 29.700 -0.064 0.000 0.762 328 E HN 0.579 nan 8.360 nan 0.000 0.460 329 I N 1.199 121.737 120.570 -0.052 0.000 2.361 329 I HA -0.230 3.939 4.170 -0.002 0.000 0.251 329 I C 2.594 178.694 176.117 -0.029 0.000 1.133 329 I CA 1.067 62.358 61.300 -0.015 0.000 1.413 329 I CB -0.226 37.805 38.000 0.052 0.000 1.073 329 I HN 0.123 nan 8.210 nan 0.000 0.424 330 E N 1.657 121.819 120.200 -0.064 0.000 2.046 330 E HA -0.238 4.111 4.350 -0.002 0.000 0.190 330 E C 2.574 179.066 176.600 -0.181 0.000 0.982 330 E CA 1.474 57.763 56.400 -0.185 0.000 0.800 330 E CB 0.025 29.423 29.700 -0.503 0.000 0.756 330 E HN 0.406 nan 8.360 nan 0.000 0.449 331 R N 0.459 120.867 120.500 -0.153 0.000 2.293 331 R HA 0.064 4.403 4.340 -0.002 0.000 0.219 331 R C 1.988 178.234 176.300 -0.090 0.000 1.091 331 R CA 1.484 57.515 56.100 -0.116 0.000 1.004 331 R CB -1.046 29.199 30.300 -0.091 0.000 0.865 331 R HN 0.381 nan 8.270 nan 0.000 0.469 332 A N 0.583 123.349 122.820 -0.090 0.000 1.850 332 A HA 0.208 4.527 4.320 -0.002 0.000 0.212 332 A C 2.397 179.923 177.584 -0.097 0.000 1.208 332 A CA 1.000 52.990 52.037 -0.078 0.000 0.609 332 A CB -0.159 18.797 19.000 -0.073 0.000 0.860 332 A HN 0.382 nan 8.150 nan 0.000 0.448 333 L N -0.021 121.123 121.223 -0.132 0.000 2.042 333 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 333 L C 3.121 179.798 176.870 -0.321 0.000 1.076 333 L CA 1.942 56.654 54.840 -0.213 0.000 0.749 333 L CB -0.528 41.396 42.059 -0.225 0.000 0.893 333 L HN 0.485 nan 8.230 nan 0.000 0.432 334 K N -0.167 120.078 120.400 -0.259 0.000 2.365 334 K HA -0.033 4.286 4.320 -0.002 0.000 0.199 334 K C 2.010 178.607 176.600 -0.005 0.000 1.045 334 K CA 1.465 57.633 56.287 -0.197 0.000 0.962 334 K CB -1.274 31.147 32.500 -0.130 0.000 0.759 334 K HN 0.549 nan 8.250 nan 0.000 0.469 335 Q N -0.136 119.652 119.800 -0.020 0.000 2.408 335 Q HA 0.399 4.738 4.340 -0.002 0.000 0.205 335 Q C 1.194 177.233 176.000 0.065 0.000 0.919 335 Q CA 0.539 56.358 55.803 0.028 0.000 0.932 335 Q CB -0.375 28.359 28.738 -0.006 0.000 1.058 335 Q HN 0.441 nan 8.270 nan 0.000 0.517 336 V N 1.764 121.719 119.914 0.068 0.000 2.763 336 V HA 0.163 4.282 4.120 -0.002 0.000 0.306 336 V C 0.181 176.384 176.094 0.182 0.000 1.059 336 V CA 0.596 62.956 62.300 0.099 0.000 1.138 336 V CB 1.231 33.096 31.823 0.070 0.000 0.940 336 V HN 0.744 nan 8.190 nan 0.000 0.489 337 Q N 3.344 123.205 119.800 0.101 0.000 3.025 337 Q HA 0.531 4.869 4.340 -0.002 0.000 0.216 337 Q C -1.216 174.804 176.000 0.033 0.000 0.828 337 Q CA -0.324 55.520 55.803 0.068 0.000 0.806 337 Q CB 1.696 30.461 28.738 0.045 0.000 1.423 337 Q HN 0.755 nan 8.270 nan 0.000 0.455 338 V N -0.519 119.409 119.914 0.024 0.000 3.145 338 V HA 0.741 4.860 4.120 -0.002 0.000 0.311 338 V C -0.816 175.279 176.094 0.003 0.000 1.238 338 V CA -1.014 61.292 62.300 0.010 0.000 1.066 338 V CB 2.104 33.922 31.823 -0.008 0.000 1.144 338 V HN 0.572 nan 8.190 nan 0.000 0.465 339 E N -0.035 120.175 120.200 0.017 0.000 2.151 339 E HA 0.727 5.076 4.350 -0.002 0.000 0.275 339 E C -0.028 176.598 176.600 0.043 0.000 0.936 339 E CA 0.437 56.849 56.400 0.020 0.000 0.777 339 E CB 1.199 30.913 29.700 0.024 0.000 1.108 339 E HN 1.188 nan 8.360 nan 0.000 0.401 340 G N 2.628 111.444 108.800 0.026 0.000 3.176 340 G HA2 0.244 4.203 3.960 -0.002 0.000 0.272 340 G HA3 0.244 4.203 3.960 -0.002 0.000 0.272 340 G C 0.391 175.291 174.900 -0.000 0.000 1.349 340 G CA -0.693 44.439 45.100 0.052 0.000 0.953 340 G HN 0.542 nan 8.290 nan 0.000 0.559 341 L N 0.313 121.512 121.223 -0.040 0.000 2.131 341 L HA -0.013 4.326 4.340 -0.002 0.000 0.210 341 L C 2.235 179.026 176.870 -0.131 0.000 1.092 341 L CA 1.611 56.347 54.840 -0.173 0.000 0.759 341 L CB -0.251 41.594 42.059 -0.357 0.000 0.903 341 L HN 0.499 nan 8.230 nan 0.000 0.435 342 S N -0.265 115.394 115.700 -0.068 0.000 2.596 342 S HA 0.471 4.940 4.470 -0.002 0.000 0.248 342 S C 0.835 175.423 174.600 -0.020 0.000 1.162 342 S CA -0.109 58.068 58.200 -0.039 0.000 1.185 342 S CB -0.297 62.897 63.200 -0.010 0.000 0.833 342 S HN 0.547 nan 8.310 nan 0.000 0.472 343 G N 2.229 111.011 108.800 -0.030 0.000 2.645 343 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.246 343 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.246 343 G C -0.355 174.535 174.900 -0.018 0.000 1.322 343 G CA -0.297 44.792 45.100 -0.018 0.000 0.898 343 G HN 0.761 nan 8.290 nan 0.000 0.573 344 N N 0.366 119.055 118.700 -0.017 0.000 2.452 344 N HA 0.312 5.051 4.740 -0.002 0.000 0.266 344 N C 0.345 175.825 175.510 -0.051 0.000 1.209 344 N CA 0.109 53.142 53.050 -0.029 0.000 0.929 344 N CB -0.122 38.345 38.487 -0.033 0.000 1.063 344 N HN 0.544 nan 8.380 nan 0.000 0.472 345 I N 2.144 122.664 120.570 -0.082 0.000 2.312 345 I HA 0.411 4.580 4.170 -0.002 0.000 0.290 345 I C 0.584 176.543 176.117 -0.263 0.000 1.008 345 I CA -0.508 60.677 61.300 -0.191 0.000 1.226 345 I CB 0.717 38.643 38.000 -0.124 0.000 1.371 345 I HN 0.510 nan 8.210 nan 0.000 0.468 346 K N 5.905 126.031 120.400 -0.457 0.000 2.512 346 K HA 0.876 5.195 4.320 -0.002 0.000 0.263 346 K C -1.599 174.618 176.600 -0.638 0.000 0.966 346 K CA -0.499 55.572 56.287 -0.360 0.000 0.851 346 K CB 1.967 34.397 32.500 -0.117 0.000 1.395 346 K HN 0.385 nan 8.250 nan 0.000 0.440 347 F N 0.762 120.729 119.950 0.029 0.000 2.620 347 F HA 0.583 5.109 4.527 -0.002 0.000 0.320 347 F C 0.334 176.147 175.800 0.021 0.000 1.069 347 F CA -0.703 57.314 58.000 0.028 0.000 0.953 347 F CB 2.417 41.423 39.000 0.009 0.000 1.322 347 F HN 0.812 nan 8.300 nan 0.000 0.479 348 D N -0.265 120.267 120.400 0.219 0.000 2.564 348 D HA 0.382 5.021 4.640 -0.002 0.000 0.273 348 D C 0.935 177.286 176.300 0.086 0.000 1.192 348 D CA -0.216 53.855 54.000 0.119 0.000 1.080 348 D CB -0.198 40.656 40.800 0.089 0.000 1.160 348 D HN 0.555 nan 8.370 nan 0.000 0.607 349 Q N -0.514 119.308 119.800 0.037 0.000 2.291 349 Q HA -0.125 4.214 4.340 -0.002 0.000 0.206 349 Q C 1.381 177.367 176.000 -0.023 0.000 0.976 349 Q CA 1.733 57.532 55.803 -0.006 0.000 0.875 349 Q CB -1.046 27.682 28.738 -0.018 0.000 0.927 349 Q HN 0.487 nan 8.270 nan 0.000 0.450 350 N N -1.349 117.359 118.700 0.013 0.000 2.349 350 N HA 0.239 4.978 4.740 -0.002 0.000 0.180 350 N C 1.492 177.022 175.510 0.034 0.000 1.024 350 N CA 1.719 54.776 53.050 0.011 0.000 0.869 350 N CB 0.832 39.338 38.487 0.030 0.000 1.022 350 N HN 0.657 nan 8.380 nan 0.000 0.433 351 G N -1.523 107.334 108.800 0.095 0.000 2.672 351 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.197 351 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.197 351 G C 0.204 175.268 174.900 0.273 0.000 0.995 351 G CA 0.195 45.378 45.100 0.140 0.000 0.754 351 G HN 0.621 nan 8.290 nan 0.000 0.505 352 K N 1.646 122.168 120.400 0.204 0.000 2.350 352 K HA 0.680 4.999 4.320 -0.002 0.000 0.279 352 K C 0.640 177.342 176.600 0.170 0.000 1.027 352 K CA -0.106 56.288 56.287 0.178 0.000 0.969 352 K CB 0.074 32.656 32.500 0.137 0.000 0.954 352 K HN 0.553 nan 8.250 nan 0.000 0.474 353 R N 0.715 121.254 120.500 0.065 0.000 2.643 353 R HA 0.436 4.775 4.340 -0.002 0.000 0.270 353 R C 0.557 176.932 176.300 0.125 0.000 1.061 353 R CA 0.189 56.229 56.100 -0.101 0.000 1.107 353 R CB 0.023 30.159 30.300 -0.274 0.000 0.999 353 R HN 0.836 nan 8.270 nan 0.000 0.460 354 I N -1.676 118.966 120.570 0.120 0.000 3.174 354 I HA 0.360 4.529 4.170 -0.002 0.000 0.313 354 I C -0.116 176.076 176.117 0.126 0.000 1.155 354 I CA -1.187 60.237 61.300 0.206 0.000 0.977 354 I CB 1.921 39.970 38.000 0.082 0.000 1.248 354 I HN 0.501 nan 8.210 nan 0.000 0.453 355 N N 1.644 120.330 118.700 -0.024 0.000 2.725 355 N HA -0.248 4.491 4.740 -0.002 0.000 0.251 355 N C -1.141 174.343 175.510 -0.044 0.000 1.031 355 N CA 1.379 54.373 53.050 -0.093 0.000 0.720 355 N CB -1.197 37.255 38.487 -0.059 0.000 0.930 355 N HN 0.757 nan 8.380 nan 0.000 0.543 356 Y N -2.629 117.656 120.300 -0.025 0.000 2.596 356 Y HA 0.843 5.392 4.550 -0.002 0.000 0.326 356 Y C 0.398 176.325 175.900 0.044 0.000 1.167 356 Y CA -0.926 57.170 58.100 -0.007 0.000 1.246 356 Y CB 0.784 39.247 38.460 0.006 0.000 1.347 356 Y HN -0.019 nan 8.280 nan 0.000 0.515 357 T N 2.464 117.170 114.554 0.254 0.000 2.928 357 T HA 0.527 4.876 4.350 -0.002 0.000 0.296 357 T C -0.973 173.912 174.700 0.307 0.000 1.000 357 T CA -0.500 61.722 62.100 0.202 0.000 0.989 357 T CB 0.671 69.547 68.868 0.013 0.000 1.005 357 T HN 0.563 nan 8.240 nan 0.000 0.442 358 I N 3.545 124.358 120.570 0.406 0.000 2.382 358 I HA 0.336 4.505 4.170 -0.002 0.000 0.285 358 I C -0.361 175.956 176.117 0.333 0.000 1.007 358 I CA -1.028 60.481 61.300 0.348 0.000 1.142 358 I CB 1.329 39.540 38.000 0.352 0.000 1.289 358 I HN 0.441 nan 8.210 nan 0.000 0.453 359 N N 6.180 125.018 118.700 0.231 0.000 2.475 359 N HA 0.280 5.019 4.740 -0.002 0.000 0.267 359 N C -0.522 175.045 175.510 0.095 0.000 1.169 359 N CA -0.160 52.996 53.050 0.176 0.000 0.947 359 N CB 0.752 39.311 38.487 0.120 0.000 1.061 359 N HN 0.377 nan 8.380 nan 0.000 0.466 360 I N 3.158 123.735 120.570 0.013 0.000 2.416 360 I HA 0.170 4.339 4.170 -0.002 0.000 0.288 360 I C 0.241 176.207 176.117 -0.253 0.000 1.051 360 I CA 0.170 61.353 61.300 -0.193 0.000 1.375 360 I CB 0.344 38.205 38.000 -0.232 0.000 1.407 360 I HN 0.239 nan 8.210 nan 0.000 0.516 361 M N 5.794 125.115 119.600 -0.465 0.000 2.528 361 M HA 0.516 4.995 4.480 -0.002 0.000 0.321 361 M C -0.458 175.485 176.300 -0.595 0.000 1.153 361 M CA -0.540 54.454 55.300 -0.509 0.000 0.951 361 M CB 1.744 33.940 32.600 -0.675 0.000 1.705 361 M HN 0.485 nan 8.290 nan 0.000 0.451 362 E N 1.440 121.477 120.200 -0.273 0.000 2.266 362 E HA 0.496 4.845 4.350 -0.002 0.000 0.268 362 E C -1.550 175.082 176.600 0.053 0.000 0.879 362 E CA -1.016 55.313 56.400 -0.118 0.000 0.762 362 E CB 3.256 32.952 29.700 -0.007 0.000 1.199 362 E HN 0.385 nan 8.360 nan 0.000 0.422 363 L N 2.615 123.923 121.223 0.141 0.000 2.259 363 L HA 0.393 4.732 4.340 -0.002 0.000 0.288 363 L C -0.038 176.850 176.870 0.030 0.000 1.051 363 L CA 0.295 55.222 54.840 0.145 0.000 0.824 363 L CB -0.139 42.023 42.059 0.172 0.000 1.206 363 L HN 0.602 nan 8.230 nan 0.000 0.429 364 K N 2.383 122.787 120.400 0.007 0.000 2.583 364 K HA 0.550 4.869 4.320 -0.002 0.000 0.263 364 K C 0.947 177.495 176.600 -0.086 0.000 1.038 364 K CA 0.361 56.638 56.287 -0.017 0.000 1.031 364 K CB -0.456 32.051 32.500 0.012 0.000 1.399 364 K HN 0.619 nan 8.250 nan 0.000 0.531 365 T N 1.338 115.860 114.554 -0.053 0.000 2.777 365 T HA -0.137 4.212 4.350 -0.002 0.000 0.266 365 T C 1.513 176.185 174.700 -0.047 0.000 1.040 365 T CA 1.661 63.720 62.100 -0.068 0.000 1.141 365 T CB -0.164 68.748 68.868 0.073 0.000 0.868 365 T HN 0.808 nan 8.240 nan 0.000 0.444 366 N N 1.460 120.164 118.700 0.007 0.000 2.515 366 N HA 0.230 4.968 4.740 -0.002 0.000 0.185 366 N C 0.866 176.377 175.510 0.003 0.000 1.109 366 N CA 0.764 53.834 53.050 0.033 0.000 0.903 366 N CB -0.076 38.437 38.487 0.043 0.000 0.969 366 N HN 0.535 nan 8.380 nan 0.000 0.450 367 G N -0.178 108.597 108.800 -0.043 0.000 2.353 367 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.615 367 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.615 367 G C -3.224 171.684 174.900 0.014 0.000 1.280 367 G CA -0.724 44.354 45.100 -0.037 0.000 1.000 367 G HN 0.135 nan 8.290 nan 0.000 0.516 368 P HA 0.465 nan 4.420 nan 0.000 0.267 368 P C -0.078 177.287 177.300 0.108 0.000 1.201 368 P CA 0.919 64.114 63.100 0.159 0.000 0.775 368 P CB 0.485 32.315 31.700 0.216 0.000 0.854 369 R N -0.688 119.870 120.500 0.096 0.000 2.522 369 R HA 0.602 4.941 4.340 -0.002 0.000 0.273 369 R C -0.193 176.122 176.300 0.025 0.000 1.133 369 R CA -0.584 55.551 56.100 0.057 0.000 0.969 369 R CB -0.336 29.990 30.300 0.044 0.000 1.235 369 R HN 0.677 nan 8.270 nan 0.000 0.433 370 K N 1.851 122.270 120.400 0.033 0.000 2.383 370 K HA 0.530 4.849 4.320 -0.002 0.000 0.286 370 K C 1.000 177.599 176.600 -0.002 0.000 1.051 370 K CA 0.397 56.691 56.287 0.011 0.000 0.974 370 K CB -0.183 32.344 32.500 0.045 0.000 0.968 370 K HN 1.347 nan 8.250 nan 0.000 0.475 371 I N -1.271 119.274 120.570 -0.041 0.000 4.018 371 I HA 0.496 4.665 4.170 -0.002 0.000 0.337 371 I C 0.645 176.711 176.117 -0.084 0.000 1.327 371 I CA 0.211 61.480 61.300 -0.052 0.000 1.100 371 I CB 0.413 38.373 38.000 -0.066 0.000 1.025 371 I HN 0.724 nan 8.210 nan 0.000 0.396 372 G N 1.062 109.829 108.800 -0.056 0.000 2.327 372 G HA2 0.279 4.238 3.960 -0.002 0.000 0.291 372 G HA3 0.279 4.238 3.960 -0.002 0.000 0.291 372 G C -1.853 173.080 174.900 0.056 0.000 1.290 372 G CA -0.268 44.803 45.100 -0.049 0.000 0.857 372 G HN 0.401 nan 8.290 nan 0.000 0.520 373 Y N -2.706 117.575 120.300 -0.030 0.000 2.669 373 Y HA 0.859 5.408 4.550 -0.002 0.000 0.335 373 Y C -1.356 174.610 175.900 0.109 0.000 1.116 373 Y CA -2.351 55.775 58.100 0.043 0.000 1.081 373 Y CB 1.832 40.306 38.460 0.024 0.000 1.297 373 Y HN 0.851 nan 8.280 nan 0.000 0.484 374 W N 1.949 123.328 121.300 0.132 0.000 2.647 374 W HA 0.676 5.335 4.660 -0.002 0.000 0.328 374 W C -1.312 175.262 176.519 0.091 0.000 1.018 374 W CA -0.638 56.714 57.345 0.011 0.000 1.245 374 W CB 2.125 31.608 29.460 0.040 0.000 1.356 374 W HN 0.723 nan 8.180 nan 0.000 0.443 375 S N 3.006 118.361 115.700 -0.574 0.000 2.549 375 S HA 0.155 4.624 4.470 -0.002 0.000 0.297 375 S C 1.079 174.868 174.600 -1.352 0.000 1.115 375 S CA -0.314 57.506 58.200 -0.633 0.000 1.059 375 S CB 1.312 64.359 63.200 -0.254 0.000 1.046 375 S HN 0.711 nan 8.310 nan 0.000 0.506 376 E N 2.421 121.992 120.200 -1.047 0.000 2.401 376 E HA -0.101 4.248 4.350 -0.002 0.000 0.199 376 E C 1.157 177.445 176.600 -0.520 0.000 1.023 376 E CA 1.446 57.355 56.400 -0.818 0.000 0.859 376 E CB -0.275 29.169 29.700 -0.425 0.000 0.780 376 E HN 0.476 nan 8.360 nan 0.000 0.523 377 V N -3.032 116.603 119.914 -0.465 0.000 3.612 377 V HA 0.173 4.292 4.120 -0.002 0.000 0.268 377 V C 0.660 176.586 176.094 -0.280 0.000 1.365 377 V CA 0.215 62.343 62.300 -0.287 0.000 1.044 377 V CB 0.540 32.245 31.823 -0.197 0.000 0.820 377 V HN -0.044 nan 8.190 nan 0.000 0.444 378 D N 0.653 120.830 120.400 -0.372 0.000 2.469 378 D HA 0.368 5.007 4.640 -0.002 0.000 0.213 378 D C 1.300 177.354 176.300 -0.410 0.000 1.135 378 D CA 1.033 54.850 54.000 -0.304 0.000 0.834 378 D CB 1.223 41.899 40.800 -0.207 0.000 1.009 378 D HN 0.690 nan 8.370 nan 0.000 0.507 379 K N 0.792 120.807 120.400 -0.642 0.000 1.987 379 K HA -0.298 4.020 4.320 -0.002 0.000 0.206 379 K C 0.469 176.678 176.600 -0.651 0.000 1.587 379 K CA 1.411 57.287 56.287 -0.685 0.000 0.589 379 K CB -1.628 30.751 32.500 -0.202 0.000 0.682 379 K HN 0.292 nan 8.250 nan 0.000 0.876 380 M N 0.753 120.225 119.600 -0.213 0.000 2.216 380 M HA 0.573 5.052 4.480 -0.002 0.000 0.356 380 M C -0.888 175.193 176.300 -0.365 0.000 1.205 380 M CA -0.586 54.601 55.300 -0.188 0.000 1.122 380 M CB 1.256 33.812 32.600 -0.073 0.000 1.571 380 M HN 0.582 nan 8.290 nan 0.000 0.464 381 V N 6.271 125.841 119.914 -0.573 0.000 2.524 381 V HA 0.335 4.454 4.120 -0.002 0.000 0.297 381 V C -0.722 175.101 176.094 -0.451 0.000 1.035 381 V CA -0.868 61.099 62.300 -0.554 0.000 0.867 381 V CB 1.615 32.990 31.823 -0.746 0.000 1.004 381 V HN 0.755 nan 8.190 nan 0.000 0.426 382 L N 3.682 124.743 121.223 -0.270 0.000 2.426 382 L HA 0.400 4.739 4.340 -0.002 0.000 0.271 382 L C 0.849 177.672 176.870 -0.078 0.000 1.169 382 L CA 0.828 55.557 54.840 -0.184 0.000 0.836 382 L CB 0.760 42.735 42.059 -0.140 0.000 1.112 382 L HN 0.611 nan 8.230 nan 0.000 0.465 383 T N 1.862 116.398 114.554 -0.031 0.000 2.753 383 T HA 0.410 4.758 4.350 -0.002 0.000 0.297 383 T C 0.281 174.989 174.700 0.013 0.000 0.981 383 T CA -0.482 61.633 62.100 0.024 0.000 0.956 383 T CB 0.622 69.527 68.868 0.062 0.000 0.936 383 T HN 0.686 nan 8.240 nan 0.000 0.463 384 E N 1.707 121.917 120.200 0.016 0.000 2.159 384 E HA 0.450 4.799 4.350 -0.002 0.000 0.272 384 E C 0.162 176.774 176.600 0.021 0.000 1.138 384 E CA -0.284 56.125 56.400 0.016 0.000 0.915 384 E CB -0.514 29.195 29.700 0.014 0.000 1.028 384 E HN 0.859 nan 8.360 nan 0.000 0.423 385 D N 1.833 122.247 120.400 0.023 0.000 2.502 385 D HA 0.496 5.135 4.640 -0.002 0.000 0.301 385 D C 0.851 177.167 176.300 0.027 0.000 1.202 385 D CA 0.537 54.553 54.000 0.025 0.000 0.878 385 D CB -0.487 40.329 40.800 0.027 0.000 1.062 385 D HN 0.688 nan 8.370 nan 0.000 0.499 386 D N -0.071 120.345 120.400 0.026 0.000 2.327 386 D HA 0.087 4.726 4.640 -0.002 0.000 0.205 386 D C 1.693 178.011 176.300 0.031 0.000 1.036 386 D CA 2.188 56.205 54.000 0.028 0.000 0.897 386 D CB -1.114 39.702 40.800 0.026 0.000 1.117 386 D HN 1.054 nan 8.370 nan 0.000 0.471 387 T N -1.487 113.084 114.554 0.029 0.000 2.738 387 T HA 0.592 4.941 4.350 -0.002 0.000 0.294 387 T C 1.123 175.842 174.700 0.031 0.000 0.914 387 T CA 0.752 62.871 62.100 0.031 0.000 1.052 387 T CB 0.310 69.195 68.868 0.029 0.000 0.897 387 T HN 0.707 nan 8.240 nan 0.000 0.522 388 S N 1.835 117.556 115.700 0.034 0.000 2.655 388 S HA 0.586 5.055 4.470 -0.002 0.000 0.231 388 S C 1.438 176.060 174.600 0.036 0.000 1.044 388 S CA 0.578 58.798 58.200 0.034 0.000 0.910 388 S CB 0.329 63.550 63.200 0.036 0.000 0.833 388 S HN 1.186 nan 8.310 nan 0.000 0.581 389 G N 0.792 109.614 108.800 0.038 0.000 4.566 389 G HA2 0.579 4.538 3.960 -0.002 0.000 0.276 389 G HA3 0.579 4.538 3.960 -0.002 0.000 0.276 389 G C -0.097 174.828 174.900 0.042 0.000 1.248 389 G CA 0.187 45.312 45.100 0.041 0.000 0.858 389 G HN 1.132 nan 8.290 nan 0.000 0.549 390 L N 0.327 121.574 121.223 0.040 0.000 2.891 390 L HA 0.585 4.924 4.340 -0.002 0.000 0.290 390 L C 1.093 177.989 176.870 0.044 0.000 1.093 390 L CA 1.559 56.424 54.840 0.041 0.000 1.108 390 L CB -1.483 40.599 42.059 0.038 0.000 1.488 390 L HN 0.799 nan 8.230 nan 0.000 0.447 391 E N 0.790 121.019 120.200 0.048 0.000 2.434 391 E HA 0.420 4.769 4.350 -0.002 0.000 0.207 391 E C 1.536 178.170 176.600 0.058 0.000 0.929 391 E CA 1.428 57.859 56.400 0.052 0.000 1.001 391 E CB -0.103 29.630 29.700 0.055 0.000 1.016 391 E HN 2.522 nan 8.360 nan 0.000 0.502 392 Q N -1.946 117.888 119.800 0.056 0.000 2.503 392 Q HA 0.031 4.370 4.340 -0.002 0.000 0.267 392 Q C 1.392 177.428 176.000 0.059 0.000 1.030 392 Q CA 1.801 57.640 55.803 0.060 0.000 1.041 392 Q CB -3.137 25.648 28.738 0.077 0.000 1.406 392 Q HN 2.443 nan 8.270 nan 0.000 0.524 393 K N -0.838 119.593 120.400 0.052 0.000 5.502 393 K HA 0.183 4.501 4.320 -0.002 0.000 0.379 393 K C 0.878 177.513 176.600 0.059 0.000 0.908 393 K CA 1.838 58.152 56.287 0.045 0.000 1.130 393 K CB -2.698 29.817 32.500 0.024 0.000 1.893 393 K HN 2.534 nan 8.250 nan 0.000 0.379 394 T N 0.469 115.067 114.554 0.074 0.000 2.666 394 T HA 0.349 4.698 4.350 -0.002 0.000 0.265 394 T C 0.629 175.391 174.700 0.103 0.000 1.009 394 T CA -0.042 62.118 62.100 0.101 0.000 1.238 394 T CB -0.470 68.442 68.868 0.074 0.000 0.969 394 T HN 1.306 nan 8.240 nan 0.000 0.515 395 V N 5.036 125.035 119.914 0.143 0.000 2.763 395 V HA 0.096 4.215 4.120 -0.002 0.000 0.306 395 V C 0.914 177.068 176.094 0.100 0.000 1.059 395 V CA -0.572 61.762 62.300 0.057 0.000 1.138 395 V CB 0.688 32.454 31.823 -0.094 0.000 0.940 395 V HN 0.789 nan 8.190 nan 0.000 0.489 396 V N 5.563 125.495 119.914 0.029 0.000 2.353 396 V HA 0.206 4.325 4.120 -0.002 0.000 0.264 396 V C 0.082 176.184 176.094 0.013 0.000 1.049 396 V CA -0.314 62.007 62.300 0.035 0.000 0.896 396 V CB 1.197 33.024 31.823 0.006 0.000 1.025 396 V HN 0.626 nan 8.190 nan 0.000 0.475 397 V N 4.493 124.439 119.914 0.054 0.000 2.333 397 V HA 0.300 4.419 4.120 -0.002 0.000 0.274 397 V C 0.573 176.645 176.094 -0.036 0.000 1.028 397 V CA -0.112 62.190 62.300 0.003 0.000 0.851 397 V CB 1.543 33.378 31.823 0.020 0.000 1.000 397 V HN 0.890 nan 8.190 nan 0.000 0.456 398 T N 3.937 118.452 114.554 -0.065 0.000 2.882 398 T HA 0.587 4.936 4.350 -0.002 0.000 0.287 398 T C -0.216 174.422 174.700 -0.102 0.000 0.992 398 T CA 0.050 62.102 62.100 -0.081 0.000 1.076 398 T CB 1.218 70.043 68.868 -0.072 0.000 0.961 398 T HN 0.902 nan 8.240 nan 0.000 0.490 399 T N 3.724 118.199 114.554 -0.131 0.000 2.802 399 T HA 0.553 4.902 4.350 -0.002 0.000 0.311 399 T C -1.473 173.123 174.700 -0.174 0.000 1.405 399 T CA -0.734 61.278 62.100 -0.146 0.000 1.016 399 T CB 1.140 69.909 68.868 -0.165 0.000 1.352 399 T HN 0.670 nan 8.240 nan 0.000 0.498 400 I N 2.833 123.292 120.570 -0.186 0.000 2.607 400 I HA 0.540 4.709 4.170 -0.002 0.000 0.305 400 I C -0.574 175.441 176.117 -0.170 0.000 0.995 400 I CA -1.389 59.773 61.300 -0.230 0.000 1.148 400 I CB 1.265 39.013 38.000 -0.421 0.000 1.323 400 I HN 0.619 nan 8.210 nan 0.000 0.461 401 L N 6.155 127.294 121.223 -0.140 0.000 2.401 401 L HA 0.256 4.595 4.340 -0.002 0.000 0.283 401 L C -0.690 176.144 176.870 -0.061 0.000 1.151 401 L CA 0.245 55.037 54.840 -0.079 0.000 0.942 401 L CB -0.233 41.799 42.059 -0.046 0.000 1.283 401 L HN 0.496 nan 8.230 nan 0.000 0.442 402 E N 1.741 121.920 120.200 -0.034 0.000 2.281 402 E HA 0.282 4.631 4.350 -0.002 0.000 0.266 402 E C -0.961 175.650 176.600 0.019 0.000 0.893 402 E CA -0.344 56.066 56.400 0.016 0.000 0.798 402 E CB 1.459 31.195 29.700 0.060 0.000 1.245 402 E HN 0.328 nan 8.360 nan 0.000 0.410 403 S N 5.484 121.125 115.700 -0.099 0.000 2.564 403 S HA 0.241 4.710 4.470 -0.002 0.000 0.278 403 S C -1.899 172.314 174.600 -0.646 0.000 1.333 403 S CA -0.781 57.217 58.200 -0.337 0.000 1.048 403 S CB 0.808 63.820 63.200 -0.312 0.000 0.900 403 S HN 0.493 nan 8.310 nan 0.000 0.505 404 P HA 0.242 nan 4.420 nan 0.000 0.257 404 P C -0.269 176.579 177.300 -0.754 0.000 1.737 404 P CA -0.139 62.432 63.100 -0.881 0.000 1.130 404 P CB -0.096 30.982 31.700 -1.037 0.000 1.572 405 Y N -0.170 119.898 120.300 -0.386 0.000 2.176 405 Y HA 0.048 4.597 4.550 -0.002 0.000 0.291 405 Y C 1.356 177.094 175.900 -0.269 0.000 1.122 405 Y CA 0.915 58.882 58.100 -0.221 0.000 1.128 405 Y CB 0.020 38.435 38.460 -0.075 0.000 1.005 405 Y HN -0.250 nan 8.280 nan 0.000 0.509 406 V N 1.579 121.462 119.914 -0.052 0.000 2.488 406 V HA 0.329 4.448 4.120 -0.002 0.000 0.293 406 V C -0.677 175.387 176.094 -0.050 0.000 1.027 406 V CA -0.732 61.517 62.300 -0.084 0.000 0.862 406 V CB 1.338 33.108 31.823 -0.088 0.000 1.008 406 V HN 0.129 nan 8.190 nan 0.000 0.428 407 M N 4.433 124.016 119.600 -0.029 0.000 2.619 407 M HA 0.662 5.141 4.480 -0.002 0.000 0.297 407 M C -0.729 175.611 176.300 0.066 0.000 1.229 407 M CA -0.811 54.493 55.300 0.007 0.000 0.860 407 M CB 2.365 34.949 32.600 -0.027 0.000 1.741 407 M HN 0.296 nan 8.290 nan 0.000 0.462 408 M N 2.191 121.793 119.600 0.003 0.000 2.184 408 M HA 0.236 4.715 4.480 -0.002 0.000 0.351 408 M C 0.360 176.651 176.300 -0.015 0.000 1.395 408 M CA -0.052 55.185 55.300 -0.106 0.000 1.117 408 M CB 0.048 32.446 32.600 -0.337 0.000 1.708 408 M HN 0.814 nan 8.290 nan 0.000 0.468 409 K N 2.570 122.979 120.400 0.015 0.000 2.397 409 K HA 0.406 4.725 4.320 -0.002 0.000 0.265 409 K C 1.281 177.960 176.600 0.131 0.000 0.982 409 K CA 0.560 56.897 56.287 0.082 0.000 0.931 409 K CB -0.400 32.141 32.500 0.068 0.000 0.943 409 K HN 0.817 nan 8.250 nan 0.000 0.501 410 A N 1.555 124.438 122.820 0.104 0.000 1.848 410 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 410 A C 1.308 178.934 177.584 0.071 0.000 1.220 410 A CA 2.174 54.266 52.037 0.092 0.000 0.645 410 A CB -0.708 18.327 19.000 0.059 0.000 0.842 410 A HN 1.126 nan 8.150 nan 0.000 0.451 411 N N 0.425 119.137 118.700 0.020 0.000 3.259 411 N HA 0.112 4.850 4.740 -0.002 0.000 0.308 411 N C 0.290 175.753 175.510 -0.079 0.000 1.334 411 N CA 0.519 53.536 53.050 -0.055 0.000 1.202 411 N CB -0.947 37.515 38.487 -0.041 0.000 1.485 411 N HN 0.807 nan 8.380 nan 0.000 0.549 412 H N -1.825 117.214 119.070 -0.052 0.000 2.491 412 H HA 0.200 4.755 4.556 -0.002 0.000 0.290 412 H C 1.626 176.904 175.328 -0.083 0.000 1.050 412 H CA 1.123 57.114 56.048 -0.094 0.000 1.309 412 H CB -0.007 29.675 29.762 -0.133 0.000 1.392 412 H HN 0.348 nan 8.280 nan 0.000 0.554 413 A N 0.989 123.442 122.820 -0.611 0.000 2.066 413 A HA 0.249 4.568 4.320 -0.002 0.000 0.218 413 A C 2.322 179.808 177.584 -0.164 0.000 1.157 413 A CA 0.943 52.760 52.037 -0.366 0.000 0.670 413 A CB -0.703 18.062 19.000 -0.391 0.000 0.804 413 A HN 0.644 nan 8.150 nan 0.000 0.453 414 A N -1.107 121.630 122.820 -0.138 0.000 2.345 414 A HA 0.601 4.919 4.320 -0.002 0.000 0.225 414 A C 0.537 178.090 177.584 -0.052 0.000 1.243 414 A CA -0.107 51.883 52.037 -0.077 0.000 0.875 414 A CB -0.136 18.824 19.000 -0.066 0.000 0.929 414 A HN 0.379 nan 8.150 nan 0.000 0.502 415 L N -1.761 119.431 121.223 -0.051 0.000 2.279 415 L HA 0.868 5.207 4.340 -0.002 0.000 0.262 415 L C 0.039 176.890 176.870 -0.031 0.000 1.019 415 L CA -0.819 54.002 54.840 -0.033 0.000 0.823 415 L CB 2.095 44.138 42.059 -0.027 0.000 1.358 415 L HN 0.138 nan 8.230 nan 0.000 0.432 416 A N -0.453 122.353 122.820 -0.023 0.000 2.593 416 A HA 0.862 5.181 4.320 -0.002 0.000 0.290 416 A C -0.062 177.521 177.584 -0.001 0.000 1.126 416 A CA 0.031 52.060 52.037 -0.014 0.000 0.695 416 A CB 1.131 20.128 19.000 -0.006 0.000 1.290 416 A HN 1.098 nan 8.150 nan 0.000 0.414 417 G N 0.769 109.583 108.800 0.024 0.000 2.550 417 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.277 417 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.277 417 G C 0.397 175.362 174.900 0.108 0.000 1.190 417 G CA 0.719 45.849 45.100 0.050 0.000 0.971 417 G HN 1.117 nan 8.290 nan 0.000 0.559 418 N N 1.819 120.573 118.700 0.089 0.000 2.446 418 N HA 0.263 5.001 4.740 -0.002 0.000 0.179 418 N C 2.193 177.797 175.510 0.157 0.000 1.054 418 N CA 1.893 55.047 53.050 0.173 0.000 0.905 418 N CB -0.404 38.119 38.487 0.060 0.000 0.973 418 N HN 0.978 nan 8.380 nan 0.000 0.448 419 E N 1.366 121.605 120.200 0.064 0.000 2.338 419 E HA -0.068 4.280 4.350 -0.002 0.000 0.197 419 E C 1.880 178.481 176.600 0.002 0.000 1.007 419 E CA 0.680 57.105 56.400 0.042 0.000 0.849 419 E CB -0.672 29.038 29.700 0.017 0.000 0.774 419 E HN 0.428 nan 8.360 nan 0.000 0.506 420 R N -1.306 119.138 120.500 -0.094 0.000 2.148 420 R HA 0.048 4.387 4.340 -0.002 0.000 0.227 420 R C 0.062 176.131 176.300 -0.385 0.000 1.103 420 R CA 0.760 56.677 56.100 -0.305 0.000 0.983 420 R CB -0.140 29.807 30.300 -0.588 0.000 0.874 420 R HN 0.518 nan 8.270 nan 0.000 0.451 421 Y N 0.597 120.922 120.300 0.041 0.000 2.496 421 Y HA 0.288 4.837 4.550 -0.002 0.000 0.331 421 Y C 0.002 175.921 175.900 0.031 0.000 1.140 421 Y CA -1.260 56.850 58.100 0.017 0.000 1.166 421 Y CB 1.335 39.795 38.460 -0.000 0.000 1.249 421 Y HN 0.010 nan 8.280 nan 0.000 0.479 422 E N 0.083 120.377 120.200 0.156 0.000 2.372 422 E HA 0.799 5.148 4.350 -0.002 0.000 0.279 422 E C -0.788 175.673 176.600 -0.231 0.000 0.946 422 E CA -1.160 55.291 56.400 0.085 0.000 0.769 422 E CB 2.420 32.259 29.700 0.232 0.000 1.230 422 E HN 0.897 nan 8.360 nan 0.000 0.442 423 G N 0.660 109.040 108.800 -0.699 0.000 2.359 423 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.293 423 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.293 423 G C -0.732 173.356 174.900 -1.354 0.000 1.300 423 G CA -0.333 43.881 45.100 -1.477 0.000 0.888 423 G HN 0.575 nan 8.290 nan 0.000 0.541 424 Y N -0.030 119.469 120.300 -1.334 0.000 2.097 424 Y HA -0.129 4.420 4.550 -0.002 0.000 0.282 424 Y C 2.992 178.790 175.900 -0.170 0.000 1.152 424 Y CA 3.154 60.912 58.100 -0.570 0.000 1.136 424 Y CB -0.379 37.983 38.460 -0.163 0.000 0.975 424 Y HN 0.512 nan 8.280 nan 0.000 0.498 425 C N -0.988 118.338 119.300 0.044 0.000 2.435 425 C HA -0.094 4.365 4.460 -0.002 0.000 0.279 425 C C 2.749 177.653 174.990 -0.144 0.000 1.321 425 C CA 0.845 59.844 59.018 -0.032 0.000 1.752 425 C CB -1.124 26.653 27.740 0.062 0.000 1.959 425 C HN 0.512 nan 8.230 nan 0.000 0.500 426 V N 1.388 121.220 119.914 -0.136 0.000 2.343 426 V HA -0.200 3.919 4.120 -0.002 0.000 0.247 426 V C 2.015 178.093 176.094 -0.025 0.000 1.051 426 V CA 2.249 64.513 62.300 -0.059 0.000 1.036 426 V CB -0.636 31.177 31.823 -0.016 0.000 0.654 426 V HN 0.460 nan 8.190 nan 0.000 0.451 427 D N -0.262 120.112 120.400 -0.043 0.000 2.149 427 D HA -0.087 4.552 4.640 -0.002 0.000 0.201 427 D C 1.872 178.112 176.300 -0.100 0.000 0.972 427 D CA 0.720 54.728 54.000 0.014 0.000 0.835 427 D CB -0.306 40.581 40.800 0.146 0.000 0.966 427 D HN 0.321 nan 8.370 nan 0.000 0.476 428 L N 0.769 121.845 121.223 -0.245 0.000 2.131 428 L HA -0.028 4.311 4.340 -0.002 0.000 0.210 428 L C 1.963 178.686 176.870 -0.246 0.000 1.092 428 L CA 1.314 55.971 54.840 -0.305 0.000 0.759 428 L CB -0.714 41.058 42.059 -0.480 0.000 0.903 428 L HN -0.030 nan 8.230 nan 0.000 0.435 429 A N -0.468 122.202 122.820 -0.250 0.000 1.873 429 A HA -0.071 4.248 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 1.712 53.523 52.037 -0.376 0.000 0.616 429 A CB -1.186 17.543 19.000 -0.452 0.000 0.823 429 A HN 0.528 nan 8.150 nan 0.000 0.442 430 A N -0.461 122.266 122.820 -0.154 0.000 1.940 430 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 430 A C 1.958 179.516 177.584 -0.043 0.000 1.176 430 A CA 1.764 53.814 52.037 0.022 0.000 0.631 430 A CB -0.426 18.647 19.000 0.122 0.000 0.814 430 A HN 0.491 nan 8.150 nan 0.000 0.446 431 E N -0.071 120.103 120.200 -0.043 0.000 2.047 431 E HA -0.136 4.213 4.350 -0.002 0.000 0.191 431 E C 2.070 178.709 176.600 0.064 0.000 0.987 431 E CA 0.926 57.346 56.400 0.034 0.000 0.799 431 E CB -0.388 29.322 29.700 0.016 0.000 0.752 431 E HN 0.545 nan 8.360 nan 0.000 0.449 432 I N 1.192 121.729 120.570 -0.055 0.000 2.226 432 I HA -0.208 3.961 4.170 -0.002 0.000 0.245 432 I C 2.392 178.447 176.117 -0.103 0.000 1.100 432 I CA 1.086 62.369 61.300 -0.029 0.000 1.374 432 I CB -1.394 36.581 38.000 -0.041 0.000 1.057 432 I HN -0.052 nan 8.210 nan 0.000 0.413 433 A N 0.873 123.458 122.820 -0.392 0.000 2.015 433 A HA -0.184 4.135 4.320 -0.002 0.000 0.219 433 A C 2.590 179.858 177.584 -0.526 0.000 1.163 433 A CA 2.210 53.643 52.037 -1.008 0.000 0.646 433 A CB -0.696 17.788 19.000 -0.860 0.000 0.806 433 A HN 0.452 nan 8.150 nan 0.000 0.448 434 K N -0.948 119.316 120.400 -0.228 0.000 2.116 434 K HA -0.098 4.221 4.320 -0.002 0.000 0.203 434 K C 1.846 178.332 176.600 -0.191 0.000 1.052 434 K CA 1.419 57.595 56.287 -0.185 0.000 0.952 434 K CB -1.003 31.397 32.500 -0.166 0.000 0.729 434 K HN 0.802 nan 8.250 nan 0.000 0.446 435 H N -1.366 117.662 119.070 -0.070 0.000 2.512 435 H HA 0.072 4.627 4.556 -0.002 0.000 0.279 435 H C 1.609 176.949 175.328 0.019 0.000 0.999 435 H CA 1.182 57.220 56.048 -0.017 0.000 1.283 435 H CB 0.211 29.970 29.762 -0.005 0.000 1.421 435 H HN 0.510 nan 8.280 nan 0.000 0.554 436 C N -0.208 119.174 119.300 0.137 0.000 2.912 436 C HA 0.294 4.753 4.460 -0.002 0.000 0.274 436 C C 1.296 176.421 174.990 0.226 0.000 1.248 436 C CA 0.448 59.602 59.018 0.227 0.000 1.694 436 C CB -0.263 27.746 27.740 0.449 0.000 2.024 436 C HN 0.740 nan 8.230 nan 0.000 0.605 437 G N 2.232 111.063 108.800 0.052 0.000 2.438 437 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.272 437 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.272 437 G C -0.590 174.420 174.900 0.184 0.000 0.991 437 G CA 0.459 45.586 45.100 0.044 0.000 1.348 437 G HN 1.036 nan 8.290 nan 0.000 0.483 438 F N -2.209 117.781 119.950 0.067 0.000 2.708 438 F HA 0.853 5.379 4.527 -0.002 0.000 0.309 438 F C -0.388 175.491 175.800 0.132 0.000 1.120 438 F CA -1.151 56.897 58.000 0.080 0.000 0.978 438 F CB 0.249 39.291 39.000 0.071 0.000 1.283 438 F HN 0.644 nan 8.300 nan 0.000 0.439 439 K N 1.354 121.937 120.400 0.305 0.000 2.118 439 K HA 0.751 5.070 4.320 -0.002 0.000 0.264 439 K C -1.554 175.291 176.600 0.409 0.000 1.000 439 K CA 0.165 56.570 56.287 0.196 0.000 0.929 439 K CB 0.715 33.261 32.500 0.076 0.000 1.021 439 K HN 1.296 nan 8.250 nan 0.000 0.463 440 Y N -3.172 117.232 120.300 0.172 0.000 2.615 440 Y HA 0.772 5.321 4.550 -0.002 0.000 0.341 440 Y C -0.275 175.684 175.900 0.098 0.000 1.089 440 Y CA -1.162 57.050 58.100 0.188 0.000 1.049 440 Y CB 1.118 39.743 38.460 0.274 0.000 1.296 440 Y HN 0.662 nan 8.280 nan 0.000 0.470 441 K N 2.705 123.239 120.400 0.222 0.000 2.559 441 K HA 0.613 4.932 4.320 -0.002 0.000 0.249 441 K C -1.366 175.336 176.600 0.170 0.000 0.958 441 K CA -0.689 55.668 56.287 0.117 0.000 0.901 441 K CB 0.636 33.180 32.500 0.073 0.000 1.124 441 K HN 0.865 nan 8.250 nan 0.000 0.437 442 L N 3.070 124.404 121.223 0.185 0.000 2.477 442 L HA 0.309 4.647 4.340 -0.002 0.000 0.272 442 L C 0.857 177.703 176.870 -0.040 0.000 1.157 442 L CA -0.037 54.844 54.840 0.068 0.000 0.889 442 L CB 0.740 42.813 42.059 0.023 0.000 1.158 442 L HN 0.906 nan 8.230 nan 0.000 0.473 443 T N 1.144 115.642 114.554 -0.094 0.000 2.886 443 T HA 0.564 4.913 4.350 -0.002 0.000 0.292 443 T C -0.367 174.244 174.700 -0.149 0.000 1.012 443 T CA -0.920 61.130 62.100 -0.085 0.000 0.982 443 T CB 1.900 70.756 68.868 -0.020 0.000 1.018 443 T HN 0.129 nan 8.240 nan 0.000 0.451 444 I N 3.205 123.696 120.570 -0.132 0.000 2.395 444 I HA 0.250 4.419 4.170 -0.002 0.000 0.289 444 I C 1.079 177.151 176.117 -0.075 0.000 1.023 444 I CA -1.068 60.155 61.300 -0.127 0.000 1.350 444 I CB 1.214 39.166 38.000 -0.081 0.000 1.409 444 I HN 0.674 nan 8.210 nan 0.000 0.507 445 V N 7.372 127.232 119.914 -0.089 0.000 2.788 445 V HA 0.152 4.271 4.120 -0.002 0.000 0.307 445 V C 1.497 177.565 176.094 -0.043 0.000 1.069 445 V CA 0.836 63.098 62.300 -0.063 0.000 1.173 445 V CB 1.128 32.903 31.823 -0.081 0.000 0.925 445 V HN 1.015 nan 8.190 nan 0.000 0.492 446 G N 4.686 113.475 108.800 -0.018 0.000 2.604 446 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.216 446 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.216 446 G C 0.917 175.811 174.900 -0.010 0.000 1.265 446 G CA 0.978 46.074 45.100 -0.006 0.000 0.804 446 G HN 1.022 nan 8.290 nan 0.000 0.579 447 D N 0.126 120.523 120.400 -0.004 0.000 2.351 447 D HA 0.131 4.770 4.640 -0.002 0.000 0.216 447 D C 1.800 178.085 176.300 -0.024 0.000 0.968 447 D CA 1.135 55.133 54.000 -0.003 0.000 0.899 447 D CB -0.917 39.891 40.800 0.013 0.000 0.907 447 D HN 0.866 nan 8.370 nan 0.000 0.514 448 G N -0.814 107.954 108.800 -0.053 0.000 2.176 448 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.252 448 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.252 448 G C 0.386 175.197 174.900 -0.147 0.000 1.024 448 G CA 0.746 45.785 45.100 -0.102 0.000 0.755 448 G HN 0.869 nan 8.290 nan 0.000 0.507 449 K N -1.369 118.965 120.400 -0.111 0.000 2.211 449 K HA 0.888 5.207 4.320 -0.002 0.000 0.237 449 K C 0.729 177.243 176.600 -0.145 0.000 1.002 449 K CA -0.020 56.214 56.287 -0.088 0.000 0.885 449 K CB 0.673 33.192 32.500 0.032 0.000 1.136 449 K HN 0.186 nan 8.250 nan 0.000 0.448 450 Y N 0.133 120.458 120.300 0.042 0.000 2.226 450 Y HA 0.353 4.902 4.550 -0.002 0.000 0.275 450 Y C 1.548 177.501 175.900 0.089 0.000 1.087 450 Y CA 1.273 59.400 58.100 0.045 0.000 1.086 450 Y CB 0.748 39.233 38.460 0.041 0.000 1.026 450 Y HN 0.744 nan 8.280 nan 0.000 0.484 451 G N -0.475 108.521 108.800 0.326 0.000 3.411 451 G HA2 0.547 4.505 3.960 -0.002 0.000 0.298 451 G HA3 0.547 4.505 3.960 -0.002 0.000 0.298 451 G C -1.519 173.612 174.900 0.385 0.000 3.379 451 G CA 0.046 45.348 45.100 0.336 0.000 0.608 451 G HN 0.439 nan 8.290 nan 0.000 0.292 452 A N 1.904 124.902 122.820 0.296 0.000 2.344 452 A HA 0.990 5.309 4.320 -0.002 0.000 0.307 452 A C -0.135 177.374 177.584 -0.125 0.000 1.151 452 A CA -1.047 51.061 52.037 0.119 0.000 0.842 452 A CB 1.731 20.767 19.000 0.060 0.000 1.350 452 A HN 0.709 nan 8.150 nan 0.000 0.459 453 R N 0.919 121.191 120.500 -0.379 0.000 2.468 453 R HA 0.226 4.565 4.340 -0.002 0.000 0.302 453 R C -1.495 174.599 176.300 -0.343 0.000 1.041 453 R CA -0.533 55.172 56.100 -0.659 0.000 0.899 453 R CB 0.833 30.399 30.300 -1.223 0.000 1.167 453 R HN 0.826 nan 8.270 nan 0.000 0.483 454 D N 3.505 123.768 120.400 -0.228 0.000 2.472 454 D HA -0.014 4.624 4.640 -0.002 0.000 0.248 454 D C 1.012 177.226 176.300 -0.144 0.000 1.174 454 D CA 0.498 54.416 54.000 -0.137 0.000 0.883 454 D CB 1.488 42.237 40.800 -0.084 0.000 1.149 454 D HN 0.654 nan 8.370 nan 0.000 0.488 455 A N 4.843 127.596 122.820 -0.112 0.000 1.883 455 A HA -0.236 4.083 4.320 -0.002 0.000 0.217 455 A C 1.728 179.269 177.584 -0.073 0.000 1.186 455 A CA 1.646 53.626 52.037 -0.094 0.000 0.624 455 A CB -0.221 18.738 19.000 -0.068 0.000 0.822 455 A HN 0.627 nan 8.150 nan 0.000 0.444 456 D N -0.444 119.922 120.400 -0.057 0.000 2.077 456 D HA -0.110 4.529 4.640 -0.002 0.000 0.197 456 D C 2.348 178.623 176.300 -0.041 0.000 0.983 456 D CA 2.541 56.516 54.000 -0.041 0.000 0.841 456 D CB -1.102 39.680 40.800 -0.030 0.000 0.992 456 D HN 0.567 nan 8.370 nan 0.000 0.450 457 T N -2.134 112.394 114.554 -0.043 0.000 3.007 457 T HA 0.016 4.365 4.350 -0.002 0.000 0.270 457 T C 1.336 176.011 174.700 -0.042 0.000 1.107 457 T CA 2.148 64.227 62.100 -0.035 0.000 1.118 457 T CB -0.659 68.191 68.868 -0.031 0.000 0.889 457 T HN 0.403 nan 8.240 nan 0.000 0.506 458 K N 0.212 120.567 120.400 -0.076 0.000 3.069 458 K HA -0.134 4.185 4.320 -0.002 0.000 0.267 458 K C 0.165 176.708 176.600 -0.095 0.000 1.082 458 K CA 1.521 57.744 56.287 -0.107 0.000 0.782 458 K CB -2.964 29.506 32.500 -0.051 0.000 1.230 458 K HN 0.814 nan 8.250 nan 0.000 0.488 459 I N -0.672 119.847 120.570 -0.085 0.000 2.412 459 I HA 0.575 4.744 4.170 -0.002 0.000 0.296 459 I C 0.666 176.791 176.117 0.013 0.000 0.987 459 I CA -1.232 60.094 61.300 0.045 0.000 1.180 459 I CB 1.463 39.484 38.000 0.035 0.000 1.340 459 I HN 0.362 nan 8.210 nan 0.000 0.455 460 W N 5.729 127.177 121.300 0.246 0.000 2.261 460 W HA 0.238 4.897 4.660 -0.002 0.000 0.323 460 W C 0.344 176.981 176.519 0.195 0.000 1.243 460 W CA -0.038 57.402 57.345 0.158 0.000 1.210 460 W CB 0.566 30.041 29.460 0.025 0.000 1.149 460 W HN 0.496 nan 8.180 nan 0.000 0.562 461 N N 1.344 120.254 118.700 0.349 0.000 2.453 461 N HA 0.766 5.505 4.740 -0.002 0.000 0.290 461 N C 0.333 175.962 175.510 0.199 0.000 1.250 461 N CA -0.050 53.137 53.050 0.228 0.000 0.815 461 N CB 0.898 39.464 38.487 0.132 0.000 1.381 461 N HN 0.727 nan 8.380 nan 0.000 0.510 462 G N -0.131 108.742 108.800 0.120 0.000 2.562 462 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.250 462 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.250 462 G C 0.666 175.596 174.900 0.051 0.000 1.269 462 G CA 0.495 45.634 45.100 0.065 0.000 0.919 462 G HN 0.636 nan 8.290 nan 0.000 0.574 463 M N -0.634 118.976 119.600 0.017 0.000 2.086 463 M HA -0.079 4.400 4.480 -0.002 0.000 0.261 463 M C 2.820 179.099 176.300 -0.036 0.000 1.067 463 M CA 2.157 57.447 55.300 -0.016 0.000 1.116 463 M CB -0.652 31.933 32.600 -0.024 0.000 1.348 463 M HN 0.377 nan 8.290 nan 0.000 0.407 464 V N 0.606 120.515 119.914 -0.009 0.000 2.380 464 V HA -0.242 3.877 4.120 -0.002 0.000 0.251 464 V C 2.517 178.498 176.094 -0.188 0.000 1.063 464 V CA 2.173 64.398 62.300 -0.124 0.000 1.055 464 V CB -1.708 30.079 31.823 -0.060 0.000 0.657 464 V HN 0.670 nan 8.190 nan 0.000 0.455 465 G N -0.597 108.210 108.800 0.012 0.000 2.414 465 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.215 465 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.215 465 G C 1.402 176.295 174.900 -0.012 0.000 1.188 465 G CA 0.625 45.766 45.100 0.069 0.000 0.783 465 G HN 0.555 nan 8.290 nan 0.000 0.537 466 E N 0.021 120.240 120.200 0.032 0.000 2.331 466 E HA -0.027 4.322 4.350 -0.002 0.000 0.199 466 E C 2.409 178.959 176.600 -0.083 0.000 1.008 466 E CA 0.212 56.621 56.400 0.015 0.000 0.843 466 E CB -0.085 29.615 29.700 -0.001 0.000 0.761 466 E HN 0.417 nan 8.360 nan 0.000 0.507 467 L N -0.138 120.980 121.223 -0.175 0.000 2.102 467 L HA -0.093 4.245 4.340 -0.002 0.000 0.202 467 L C 2.317 179.004 176.870 -0.306 0.000 1.076 467 L CA 0.482 55.184 54.840 -0.231 0.000 0.761 467 L CB -0.116 41.779 42.059 -0.273 0.000 0.921 467 L HN 0.012 nan 8.230 nan 0.000 0.444 468 V N -1.239 118.388 119.914 -0.479 0.000 2.626 468 V HA -0.243 3.876 4.120 -0.002 0.000 0.252 468 V C 1.391 177.162 176.094 -0.539 0.000 1.067 468 V CA 1.402 63.331 62.300 -0.617 0.000 1.081 468 V CB -0.635 30.628 31.823 -0.933 0.000 0.686 468 V HN 0.378 nan 8.190 nan 0.000 0.468 469 Y N 0.209 120.426 120.300 -0.140 0.000 2.524 469 Y HA 0.533 5.082 4.550 -0.002 0.000 0.266 469 Y C 1.808 177.592 175.900 -0.192 0.000 1.180 469 Y CA -0.334 57.669 58.100 -0.163 0.000 1.244 469 Y CB -0.197 38.181 38.460 -0.136 0.000 1.125 469 Y HN 0.252 nan 8.280 nan 0.000 0.524 470 G N -0.102 108.650 108.800 -0.080 0.000 2.153 470 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.252 470 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.252 470 G C 1.314 176.176 174.900 -0.062 0.000 0.994 470 G CA 0.795 45.843 45.100 -0.087 0.000 0.698 470 G HN 0.522 nan 8.290 nan 0.000 0.521 471 K N -1.394 118.982 120.400 -0.041 0.000 2.167 471 K HA 0.742 5.060 4.320 -0.002 0.000 0.203 471 K C 1.403 177.985 176.600 -0.030 0.000 1.052 471 K CA 2.232 58.506 56.287 -0.022 0.000 0.956 471 K CB 0.051 32.554 32.500 0.005 0.000 0.735 471 K HN 2.174 nan 8.250 nan 0.000 0.451 472 A N 0.083 122.872 122.820 -0.052 0.000 2.479 472 A HA 0.597 4.916 4.320 -0.002 0.000 0.296 472 A C -0.616 176.917 177.584 -0.086 0.000 1.121 472 A CA -0.119 51.882 52.037 -0.060 0.000 0.743 472 A CB 1.350 20.312 19.000 -0.064 0.000 1.323 472 A HN 0.083 nan 8.150 nan 0.000 0.415 473 D N -0.325 120.021 120.400 -0.090 0.000 2.355 473 D HA 0.260 4.899 4.640 -0.002 0.000 0.206 473 D C 0.056 176.265 176.300 -0.152 0.000 1.010 473 D CA 1.067 54.994 54.000 -0.121 0.000 0.875 473 D CB 0.713 41.435 40.800 -0.129 0.000 0.966 473 D HN 0.443 nan 8.370 nan 0.000 0.512 474 I N -0.448 120.040 120.570 -0.138 0.000 2.882 474 I HA 0.452 4.621 4.170 -0.002 0.000 0.298 474 I C -2.007 174.037 176.117 -0.121 0.000 1.462 474 I CA -0.925 60.287 61.300 -0.146 0.000 1.000 474 I CB 2.063 39.967 38.000 -0.160 0.000 1.340 474 I HN -0.198 nan 8.210 nan 0.000 0.462 475 A N 7.792 130.538 122.820 -0.123 0.000 2.323 475 A HA 0.710 5.029 4.320 -0.002 0.000 0.305 475 A C -1.002 176.542 177.584 -0.066 0.000 1.275 475 A CA -0.373 51.607 52.037 -0.094 0.000 0.804 475 A CB 0.378 19.319 19.000 -0.097 0.000 1.152 475 A HN 0.531 nan 8.150 nan 0.000 0.487 476 I N 2.846 123.367 120.570 -0.082 0.000 2.412 476 I HA 0.577 4.746 4.170 -0.002 0.000 0.279 476 I C 0.373 176.446 176.117 -0.072 0.000 1.063 476 I CA 0.139 61.379 61.300 -0.100 0.000 1.193 476 I CB 0.877 38.778 38.000 -0.165 0.000 1.370 476 I HN 0.741 nan 8.210 nan 0.000 0.479 477 A N 6.857 129.680 122.820 0.005 0.000 2.536 477 A HA 0.708 5.027 4.320 -0.002 0.000 0.293 477 A C -2.760 174.839 177.584 0.025 0.000 1.119 477 A CA -1.080 50.956 52.037 -0.002 0.000 0.654 477 A CB 1.057 20.040 19.000 -0.028 0.000 1.291 477 A HN 0.301 nan 8.150 nan 0.000 0.439 478 P HA 0.256 nan 4.420 nan 0.000 0.232 478 P C -0.662 176.266 177.300 -0.621 0.000 1.738 478 P CA 0.108 62.605 63.100 -1.006 0.000 0.948 478 P CB -0.478 30.227 31.700 -1.658 0.000 1.943 479 L N 1.370 122.582 121.223 -0.018 0.000 2.315 479 L HA 0.230 4.569 4.340 -0.002 0.000 0.283 479 L C 0.234 177.249 176.870 0.241 0.000 1.089 479 L CA 0.347 55.298 54.840 0.187 0.000 0.833 479 L CB 0.066 42.336 42.059 0.352 0.000 1.170 479 L HN -0.006 nan 8.230 nan 0.000 0.442 480 T N 6.358 120.982 114.554 0.117 0.000 2.916 480 T HA 0.253 4.602 4.350 -0.002 0.000 0.303 480 T C 0.619 175.091 174.700 -0.380 0.000 1.025 480 T CA 0.085 62.152 62.100 -0.056 0.000 1.142 480 T CB 0.109 68.907 68.868 -0.117 0.000 0.947 480 T HN 0.396 nan 8.240 nan 0.000 0.544 481 I N 4.572 124.781 120.570 -0.601 0.000 2.311 481 I HA 0.158 4.327 4.170 -0.002 0.000 0.297 481 I C 1.144 176.930 176.117 -0.553 0.000 1.131 481 I CA -0.387 60.299 61.300 -1.024 0.000 1.289 481 I CB -0.355 37.181 38.000 -0.773 0.000 1.446 481 I HN 0.690 nan 8.210 nan 0.000 0.524 482 T N 2.144 116.447 114.554 -0.418 0.000 2.940 482 T HA 0.308 4.657 4.350 -0.002 0.000 0.288 482 T C 0.716 175.377 174.700 -0.065 0.000 1.033 482 T CA -0.879 61.120 62.100 -0.167 0.000 1.033 482 T CB 2.348 71.178 68.868 -0.064 0.000 1.079 482 T HN 0.336 nan 8.240 nan 0.000 0.496 483 L N 2.955 124.160 121.223 -0.030 0.000 2.046 483 L HA -0.033 4.306 4.340 -0.002 0.000 0.208 483 L C 2.594 179.510 176.870 0.077 0.000 1.077 483 L CA 2.353 57.202 54.840 0.015 0.000 0.747 483 L CB -1.024 41.037 42.059 0.003 0.000 0.896 483 L HN 0.780 nan 8.230 nan 0.000 0.432 484 V N -2.561 117.419 119.914 0.110 0.000 2.594 484 V HA -0.209 3.910 4.120 -0.002 0.000 0.253 484 V C 2.465 178.752 176.094 0.321 0.000 1.069 484 V CA 1.931 64.359 62.300 0.213 0.000 1.082 484 V CB -0.979 30.974 31.823 0.217 0.000 0.680 484 V HN 0.507 nan 8.190 nan 0.000 0.469 485 R N 0.097 120.738 120.500 0.235 0.000 2.128 485 R HA 0.101 4.440 4.340 -0.002 0.000 0.211 485 R C 2.298 178.679 176.300 0.135 0.000 1.067 485 R CA 0.887 57.080 56.100 0.155 0.000 1.010 485 R CB -0.260 30.243 30.300 0.339 0.000 0.922 485 R HN 0.536 nan 8.270 nan 0.000 0.457 486 E N 1.604 121.933 120.200 0.215 0.000 2.333 486 E HA -0.181 4.167 4.350 -0.002 0.000 0.198 486 E C 1.128 177.765 176.600 0.061 0.000 1.007 486 E CA 1.254 57.768 56.400 0.191 0.000 0.845 486 E CB 0.134 29.920 29.700 0.144 0.000 0.766 486 E HN 0.335 nan 8.360 nan 0.000 0.507 487 E N -0.915 119.314 120.200 0.047 0.000 2.158 487 E HA -0.093 4.256 4.350 -0.002 0.000 0.191 487 E C 1.976 178.556 176.600 -0.033 0.000 0.982 487 E CA 1.236 57.653 56.400 0.028 0.000 0.823 487 E CB 0.271 30.017 29.700 0.077 0.000 0.766 487 E HN 0.374 nan 8.360 nan 0.000 0.468 488 V N -0.820 119.018 119.914 -0.126 0.000 3.085 488 V HA 0.207 4.326 4.120 -0.002 0.000 0.245 488 V C 1.106 177.011 176.094 -0.315 0.000 1.114 488 V CA 0.045 62.188 62.300 -0.262 0.000 1.108 488 V CB -0.373 31.125 31.823 -0.543 0.000 0.798 488 V HN 0.145 nan 8.190 nan 0.000 0.471 489 I N -2.214 118.166 120.570 -0.317 0.000 3.445 489 I HA 0.744 4.913 4.170 -0.002 0.000 0.303 489 I C -1.512 174.444 176.117 -0.268 0.000 1.129 489 I CA -0.908 60.185 61.300 -0.345 0.000 0.989 489 I CB 2.064 39.765 38.000 -0.499 0.000 1.314 489 I HN -0.144 nan 8.210 nan 0.000 0.488 490 D N 1.454 121.667 120.400 -0.312 0.000 2.278 490 D HA 0.503 5.142 4.640 -0.002 0.000 0.245 490 D C -1.423 174.695 176.300 -0.302 0.000 1.052 490 D CA 0.188 54.068 54.000 -0.201 0.000 0.834 490 D CB 1.825 42.546 40.800 -0.131 0.000 1.194 490 D HN 0.282 nan 8.370 nan 0.000 0.481 491 F N 1.266 121.193 119.950 -0.038 0.000 2.427 491 F HA 0.228 4.754 4.527 -0.002 0.000 0.346 491 F C 1.242 177.045 175.800 0.006 0.000 1.120 491 F CA -0.758 57.236 58.000 -0.010 0.000 1.033 491 F CB 1.267 40.261 39.000 -0.010 0.000 1.126 491 F HN 0.130 nan 8.300 nan 0.000 0.462 492 S N 3.233 119.055 115.700 0.203 0.000 2.596 492 S HA 0.292 4.761 4.470 -0.002 0.000 0.260 492 S C 0.137 174.838 174.600 0.168 0.000 1.336 492 S CA -1.075 57.215 58.200 0.150 0.000 0.993 492 S CB 0.531 63.810 63.200 0.131 0.000 0.923 492 S HN 0.384 nan 8.310 nan 0.000 0.567 493 K N 1.398 121.866 120.400 0.114 0.000 2.440 493 K HA 0.189 4.508 4.320 -0.002 0.000 0.270 493 K C -2.509 174.158 176.600 0.112 0.000 0.980 493 K CA -1.440 54.897 56.287 0.084 0.000 0.953 493 K CB -0.713 31.822 32.500 0.058 0.000 0.925 493 K HN 0.473 nan 8.250 nan 0.000 0.497 494 P HA -0.027 nan 4.420 nan 0.000 0.264 494 P C 0.130 177.456 177.300 0.045 0.000 1.193 494 P CA 0.154 63.233 63.100 -0.035 0.000 0.763 494 P CB 0.014 31.633 31.700 -0.135 0.000 0.810 495 F N 1.683 121.690 119.950 0.096 0.000 2.727 495 F HA 0.521 5.047 4.527 -0.002 0.000 0.302 495 F C 0.357 176.245 175.800 0.147 0.000 1.097 495 F CA -0.369 57.710 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 1.270 120.673 119.600 -0.328 0.000 2.437 496 M HA 0.291 4.769 4.480 -0.002 0.000 0.203 496 M C -1.668 174.410 176.300 -0.371 0.000 0.957 496 M CA -0.027 55.110 55.300 -0.271 0.000 0.872 496 M CB 1.112 33.572 32.600 -0.233 0.000 2.556 496 M HN -0.076 nan 8.290 nan 0.000 0.428 497 S N 5.456 120.995 115.700 -0.268 0.000 2.545 497 S HA 0.799 5.268 4.470 -0.002 0.000 0.275 497 S C -0.291 174.126 174.600 -0.305 0.000 1.299 497 S CA -0.618 57.408 58.200 -0.290 0.000 1.048 497 S CB 0.803 63.885 63.200 -0.196 0.000 0.938 497 S HN 0.647 nan 8.310 nan 0.000 0.496 498 L N 0.432 121.436 121.223 -0.365 0.000 2.441 498 L HA 1.098 5.436 4.340 -0.002 0.000 0.240 498 L C -0.031 176.661 176.870 -0.297 0.000 1.145 498 L CA -0.958 53.691 54.840 -0.318 0.000 1.025 498 L CB 1.005 42.836 42.059 -0.380 0.000 1.585 498 L HN 0.731 nan 8.230 nan 0.000 0.410 499 G N -0.583 108.057 108.800 -0.266 0.000 2.341 499 G HA2 0.392 4.351 3.960 -0.002 0.000 0.299 499 G HA3 0.392 4.351 3.960 -0.002 0.000 0.299 499 G C -1.907 172.844 174.900 -0.248 0.000 1.274 499 G CA -0.861 44.068 45.100 -0.286 0.000 0.853 499 G HN 0.631 nan 8.290 nan 0.000 0.493 500 I N 1.972 122.360 120.570 -0.303 0.000 2.342 500 I HA 0.450 4.619 4.170 -0.002 0.000 0.291 500 I C 0.755 176.807 176.117 -0.108 0.000 1.010 500 I CA -0.361 60.801 61.300 -0.230 0.000 1.308 500 I CB 1.440 39.225 38.000 -0.358 0.000 1.400 500 I HN 0.631 nan 8.210 nan 0.000 0.488 501 S N 6.564 122.233 115.700 -0.052 0.000 2.751 501 S HA 0.750 5.219 4.470 -0.002 0.000 0.310 501 S C -0.613 173.988 174.600 0.002 0.000 1.128 501 S CA -0.910 57.284 58.200 -0.010 0.000 0.931 501 S CB 2.026 65.228 63.200 0.002 0.000 1.177 501 S HN 0.424 nan 8.310 nan 0.000 0.530 502 I N 1.149 121.725 120.570 0.010 0.000 2.404 502 I HA 0.432 4.601 4.170 -0.002 0.000 0.293 502 I C -0.481 175.648 176.117 0.020 0.000 0.992 502 I CA -0.546 60.752 61.300 -0.003 0.000 1.149 502 I CB 1.823 39.812 38.000 -0.019 0.000 1.315 502 I HN 0.593 nan 8.210 nan 0.000 0.446 503 M N 8.276 127.895 119.600 0.033 0.000 2.181 503 M HA 0.615 5.093 4.480 -0.002 0.000 0.323 503 M C -1.222 175.114 176.300 0.061 0.000 1.004 503 M CA -0.534 54.813 55.300 0.079 0.000 0.941 503 M CB 1.532 34.230 32.600 0.162 0.000 1.579 503 M HN 0.657 nan 8.290 nan 0.000 0.427 504 I N 0.175 120.777 120.570 0.054 0.000 3.108 504 I HA 0.770 4.939 4.170 -0.002 0.000 0.312 504 I C -0.422 175.731 176.117 0.060 0.000 1.095 504 I CA -1.039 60.288 61.300 0.045 0.000 1.000 504 I CB 1.717 39.732 38.000 0.026 0.000 1.229 504 I HN 0.645 nan 8.210 nan 0.000 0.454 505 K N 2.183 122.620 120.400 0.061 0.000 2.322 505 K HA 0.590 4.909 4.320 -0.002 0.000 0.283 505 K C 0.190 176.819 176.600 0.048 0.000 1.042 505 K CA 0.003 56.327 56.287 0.061 0.000 0.958 505 K CB -0.030 32.509 32.500 0.065 0.000 0.984 505 K HN 0.971 nan 8.250 nan 0.000 0.473 506 K N 4.113 124.541 120.400 0.046 0.000 2.491 506 K HA 0.235 4.553 4.320 -0.002 0.000 0.279 506 K C -1.632 174.989 176.600 0.034 0.000 1.026 506 K CA -0.672 55.638 56.287 0.039 0.000 1.070 506 K CB -0.802 31.720 32.500 0.037 0.000 0.887 506 K HN 0.785 nan 8.250 nan 0.000 0.481 507 P HA 0.257 nan 4.420 nan 0.000 0.276 507 P C -0.172 177.143 177.300 0.026 0.000 1.235 507 P CA -0.032 63.084 63.100 0.028 0.000 0.772 507 P CB 0.683 32.398 31.700 0.025 0.000 0.871 508 Q N 1.842 121.657 119.800 0.026 0.000 2.409 508 Q HA 0.331 4.670 4.340 -0.002 0.000 0.240 508 Q C 1.166 177.178 176.000 0.021 0.000 1.226 508 Q CA 0.248 56.065 55.803 0.023 0.000 0.895 508 Q CB -1.226 27.526 28.738 0.024 0.000 1.491 508 Q HN 0.614 nan 8.270 nan 0.000 0.509 509 K N 0.452 120.863 120.400 0.019 0.000 2.878 509 K HA 0.530 4.849 4.320 -0.002 0.000 0.242 509 K C 0.616 177.225 176.600 0.016 0.000 0.985 509 K CA 0.781 57.078 56.287 0.018 0.000 1.168 509 K CB -0.871 31.638 32.500 0.016 0.000 0.993 509 K HN 1.534 nan 8.250 nan 0.000 0.476 510 S N -0.346 115.364 115.700 0.017 0.000 2.575 510 S HA 0.732 5.201 4.470 -0.002 0.000 0.278 510 S C -0.033 174.578 174.600 0.018 0.000 1.139 510 S CA -0.037 58.172 58.200 0.015 0.000 0.954 510 S CB 1.139 64.347 63.200 0.012 0.000 1.054 510 S HN 1.020 nan 8.310 nan 0.000 0.483 511 K N 2.730 123.141 120.400 0.019 0.000 3.009 511 K HA 0.599 4.918 4.320 -0.002 0.000 0.228 511 K C -2.543 174.071 176.600 0.024 0.000 1.307 511 K CA -0.402 55.899 56.287 0.023 0.000 0.882 511 K CB -0.929 31.586 32.500 0.025 0.000 1.275 511 K HN 0.573 nan 8.250 nan 0.000 0.551 512 P HA 0.385 nan 4.420 nan 0.000 0.200 512 P C 0.775 178.084 177.300 0.015 0.000 1.048 512 P CA 1.276 64.382 63.100 0.010 0.000 0.734 512 P CB -0.013 31.682 31.700 -0.009 0.000 0.648 513 G N -0.525 108.268 108.800 -0.012 0.000 2.920 513 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.210 513 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.210 513 G C 0.503 175.374 174.900 -0.048 0.000 0.806 513 G CA -0.046 45.041 45.100 -0.021 0.000 0.853 513 G HN 0.214 nan 8.290 nan 0.000 0.333 514 V N 2.825 122.618 119.914 -0.202 0.000 3.186 514 V HA -0.115 4.004 4.120 -0.002 0.000 0.270 514 V C 2.285 178.352 176.094 -0.046 0.000 1.149 514 V CA 1.746 63.945 62.300 -0.168 0.000 1.160 514 V CB -0.741 30.905 31.823 -0.295 0.000 0.758 514 V HN 0.639 nan 8.190 nan 0.000 0.516 515 F N 1.081 121.090 119.950 0.097 0.000 2.802 515 F HA 0.018 4.544 4.527 -0.002 0.000 0.300 515 F C 2.322 178.174 175.800 0.087 0.000 1.168 515 F CA 0.666 58.736 58.000 0.116 0.000 1.433 515 F CB -0.754 38.313 39.000 0.112 0.000 1.115 515 F HN 0.309 nan 8.300 nan 0.000 0.582 516 S N -1.838 113.999 115.700 0.228 0.000 2.575 516 S HA -0.031 4.438 4.470 -0.002 0.000 0.215 516 S C 1.504 176.220 174.600 0.194 0.000 0.966 516 S CA -0.091 58.192 58.200 0.138 0.000 0.911 516 S CB -0.832 62.422 63.200 0.091 0.000 0.780 516 S HN 0.352 nan 8.310 nan 0.000 0.514 517 F N 1.465 121.476 119.950 0.101 0.000 2.622 517 F HA 0.485 5.011 4.527 -0.002 0.000 0.288 517 F C 1.287 177.197 175.800 0.184 0.000 1.120 517 F CA 0.018 58.108 58.000 0.150 0.000 1.423 517 F CB 0.176 39.233 39.000 0.095 0.000 1.127 517 F HN 0.105 nan 8.300 nan 0.000 0.588 518 L N -0.021 121.260 121.223 0.097 0.000 2.509 518 L HA 0.034 4.373 4.340 -0.002 0.000 0.222 518 L C 1.293 178.056 176.870 -0.178 0.000 1.123 518 L CA 0.238 54.996 54.840 -0.136 0.000 0.856 518 L CB -0.503 41.438 42.059 -0.197 0.000 0.985 518 L HN 0.025 nan 8.230 nan 0.000 0.456 519 D N 0.342 120.725 120.400 -0.028 0.000 2.110 519 D HA -0.050 4.589 4.640 -0.002 0.000 0.202 519 D C -0.288 176.019 176.300 0.012 0.000 0.975 519 D CA 0.889 54.874 54.000 -0.024 0.000 0.839 519 D CB -1.320 39.437 40.800 -0.071 0.000 0.996 519 D HN 0.110 nan 8.370 nan 0.000 0.464 520 P HA -0.121 nan 4.420 nan 0.000 0.213 520 P C 0.548 177.857 177.300 0.016 0.000 1.176 520 P CA 0.809 63.963 63.100 0.090 0.000 0.919 520 P CB 0.229 31.888 31.700 -0.069 0.000 0.791 521 L N -0.733 120.495 121.223 0.008 0.000 2.257 521 L HA 0.510 4.849 4.340 -0.002 0.000 0.290 521 L C -0.032 176.722 176.870 -0.194 0.000 1.044 521 L CA -1.148 53.536 54.840 -0.260 0.000 0.810 521 L CB 0.720 42.304 42.059 -0.791 0.000 1.193 521 L HN -0.058 nan 8.230 nan 0.000 0.425 522 A N 4.073 126.807 122.820 -0.144 0.000 2.520 522 A HA 0.014 4.333 4.320 -0.002 0.000 0.235 522 A C 0.396 178.053 177.584 0.121 0.000 1.065 522 A CA 0.247 52.288 52.037 0.007 0.000 0.764 522 A CB 0.048 19.078 19.000 0.051 0.000 1.002 522 A HN 0.824 nan 8.150 nan 0.000 0.502 523 Y N 0.625 121.081 120.300 0.259 0.000 2.207 523 Y HA -0.214 4.335 4.550 -0.002 0.000 0.287 523 Y C 2.177 178.226 175.900 0.249 0.000 1.156 523 Y CA 2.204 60.491 58.100 0.312 0.000 1.182 523 Y CB -0.340 38.233 38.460 0.188 0.000 0.979 523 Y HN 0.794 nan 8.280 nan 0.000 0.521 524 E N 0.052 120.442 120.200 0.316 0.000 2.150 524 E HA -0.123 4.225 4.350 -0.002 0.000 0.193 524 E C 2.038 178.748 176.600 0.183 0.000 0.985 524 E CA 1.214 57.747 56.400 0.221 0.000 0.814 524 E CB -0.330 29.460 29.700 0.149 0.000 0.752 524 E HN 0.507 nan 8.360 nan 0.000 0.466 525 I N -1.183 119.443 120.570 0.092 0.000 2.406 525 I HA -0.145 4.024 4.170 -0.002 0.000 0.249 525 I C 1.684 177.802 176.117 0.002 0.000 1.122 525 I CA 0.728 62.017 61.300 -0.019 0.000 1.431 525 I CB -0.331 37.545 38.000 -0.206 0.000 1.087 525 I HN 0.176 nan 8.210 nan 0.000 0.424 526 W N 0.558 121.898 121.300 0.067 0.000 2.350 526 W HA -0.186 4.473 4.660 -0.002 0.000 0.289 526 W C 2.622 179.204 176.519 0.105 0.000 1.215 526 W CA 0.495 57.871 57.345 0.052 0.000 1.236 526 W CB -0.230 29.238 29.460 0.013 0.000 1.130 526 W HN 0.046 nan 8.180 nan 0.000 0.541 527 M N -0.968 118.862 119.600 0.383 0.000 2.064 527 M HA -0.178 4.301 4.480 -0.002 0.000 0.260 527 M C 2.019 178.613 176.300 0.490 0.000 1.073 527 M CA 1.372 56.896 55.300 0.373 0.000 1.124 527 M CB -1.850 31.025 32.600 0.457 0.000 1.326 527 M HN 0.024 nan 8.290 nan 0.000 0.410 528 C N 0.361 119.939 119.300 0.463 0.000 2.413 528 C HA -0.127 4.332 4.460 -0.002 0.000 0.277 528 C C 2.818 178.060 174.990 0.419 0.000 1.265 528 C CA 0.468 59.758 59.018 0.454 0.000 1.752 528 C CB -1.103 26.800 27.740 0.271 0.000 1.998 528 C HN 0.541 nan 8.230 nan 0.000 0.489 529 I N 0.395 121.183 120.570 0.363 0.000 2.614 529 I HA -0.118 4.050 4.170 -0.002 0.000 0.258 529 I C 2.019 178.401 176.117 0.442 0.000 1.189 529 I CA 1.267 62.823 61.300 0.427 0.000 1.462 529 I CB 0.089 38.256 38.000 0.279 0.000 1.092 529 I HN 0.156 nan 8.210 nan 0.000 0.442 530 V N 0.144 120.236 119.914 0.297 0.000 2.599 530 V HA -0.156 3.963 4.120 -0.002 0.000 0.245 530 V C 1.959 178.131 176.094 0.129 0.000 1.046 530 V CA 1.319 63.706 62.300 0.144 0.000 1.065 530 V CB -0.507 31.272 31.823 -0.073 0.000 0.703 530 V HN 0.281 nan 8.190 nan 0.000 0.464 531 F N 1.002 121.074 119.950 0.203 0.000 2.146 531 F HA -0.112 4.414 4.527 -0.002 0.000 0.298 531 F C 2.465 178.343 175.800 0.130 0.000 1.096 531 F CA 1.518 59.605 58.000 0.145 0.000 1.275 531 F CB -0.547 38.520 39.000 0.112 0.000 1.008 531 F HN 0.116 nan 8.300 nan 0.000 0.480 532 A N -1.187 121.841 122.820 0.347 0.000 2.014 532 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 532 A C 1.916 179.571 177.584 0.119 0.000 1.163 532 A CA 1.008 53.171 52.037 0.210 0.000 0.652 532 A CB -1.258 17.834 19.000 0.153 0.000 0.808 532 A HN 0.546 nan 8.150 nan 0.000 0.449 533 Y N 1.476 121.848 120.300 0.120 0.000 2.114 533 Y HA -0.222 4.327 4.550 -0.002 0.000 0.284 533 Y C 2.027 177.788 175.900 -0.230 0.000 1.143 533 Y CA 2.220 60.264 58.100 -0.093 0.000 1.135 533 Y CB -0.241 38.309 38.460 0.151 0.000 0.980 533 Y HN 0.395 nan 8.280 nan 0.000 0.499 534 I N -1.793 118.820 120.570 0.073 0.000 2.830 534 I HA 0.111 4.280 4.170 -0.002 0.000 0.263 534 I C 2.129 178.186 176.117 -0.099 0.000 1.230 534 I CA 1.321 62.594 61.300 -0.044 0.000 1.480 534 I CB -0.897 37.143 38.000 0.067 0.000 1.095 534 I HN 0.241 nan 8.210 nan 0.000 0.455 535 G N 1.167 109.929 108.800 -0.064 0.000 2.534 535 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.217 535 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.217 535 G C 1.472 176.284 174.900 -0.147 0.000 1.128 535 G CA 0.841 45.908 45.100 -0.054 0.000 0.784 535 G HN 0.356 nan 8.290 nan 0.000 0.542 536 V N 1.140 120.860 119.914 -0.325 0.000 2.795 536 V HA -0.052 4.067 4.120 -0.002 0.000 0.243 536 V C 2.953 178.838 176.094 -0.349 0.000 1.069 536 V CA 1.665 63.726 62.300 -0.398 0.000 1.089 536 V CB 0.308 31.667 31.823 -0.772 0.000 0.756 536 V HN 0.511 nan 8.190 nan 0.000 0.471 537 S N -0.361 115.092 115.700 -0.411 0.000 2.474 537 S HA -0.087 4.382 4.470 -0.002 0.000 0.235 537 S C 1.792 176.320 174.600 -0.121 0.000 0.997 537 S CA 1.397 59.419 58.200 -0.296 0.000 0.949 537 S CB 0.151 63.130 63.200 -0.368 0.000 0.766 537 S HN 0.323 nan 8.310 nan 0.000 0.517 538 V N 0.655 120.513 119.914 -0.094 0.000 2.825 538 V HA 0.090 4.209 4.120 -0.002 0.000 0.246 538 V C 2.155 178.300 176.094 0.085 0.000 1.068 538 V CA 0.886 63.197 62.300 0.019 0.000 1.088 538 V CB 0.077 31.894 31.823 -0.010 0.000 0.733 538 V HN 0.433 nan 8.190 nan 0.000 0.468 539 V N 0.390 120.302 119.914 -0.003 0.000 2.358 539 V HA -0.189 3.930 4.120 -0.002 0.000 0.246 539 V C 2.379 178.469 176.094 -0.007 0.000 1.047 539 V CA 2.256 64.552 62.300 -0.005 0.000 1.035 539 V CB -0.440 31.361 31.823 -0.037 0.000 0.658 539 V HN 0.483 nan 8.190 nan 0.000 0.452 540 L N -1.094 120.114 121.223 -0.026 0.000 2.141 540 L HA -0.158 4.181 4.340 -0.002 0.000 0.209 540 L C 2.350 179.231 176.870 0.017 0.000 1.094 540 L CA 1.532 56.357 54.840 -0.024 0.000 0.763 540 L CB -0.612 41.412 42.059 -0.058 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 -0.082 0.000 2.269 541 F HA -0.159 4.367 4.527 -0.002 0.000 0.301 541 F C 1.903 177.674 175.800 -0.048 0.000 1.082 541 F CA 1.306 59.268 58.000 -0.064 0.000 1.360 541 F CB -0.083 38.879 39.000 -0.064 0.000 1.041 541 F HN -0.078 nan 8.300 nan 0.000 0.512 542 L N -0.950 120.187 121.223 -0.144 0.000 2.492 542 L HA -0.040 4.299 4.340 -0.002 0.000 0.223 542 L C 2.020 178.780 176.870 -0.182 0.000 1.132 542 L CA -0.021 54.691 54.840 -0.214 0.000 0.850 542 L CB -0.404 41.617 42.059 -0.063 0.000 0.966 542 L HN 0.013 nan 8.230 nan 0.000 0.454 543 V N -0.763 119.068 119.914 -0.139 0.000 2.302 543 V HA -0.126 3.993 4.120 -0.002 0.000 0.243 543 V C 1.753 177.773 176.094 -0.123 0.000 1.036 543 V CA 1.195 63.433 62.300 -0.103 0.000 1.020 543 V CB -0.354 31.430 31.823 -0.066 0.000 0.657 543 V HN 0.566 nan 8.190 nan 0.000 0.453 569 N N 1.390 120.097 118.700 0.011 0.000 2.216 569 N HA 0.247 4.986 4.740 -0.002 0.000 0.183 569 N C 2.196 177.714 175.510 0.013 0.000 1.017 569 N CA 2.502 55.562 53.050 0.017 0.000 0.861 569 N CB -0.924 37.565 38.487 0.003 0.000 0.986 569 N HN 0.943 nan 8.380 nan 0.000 0.428 570 E N -0.682 119.516 120.200 -0.004 0.000 2.152 570 E HA 0.182 4.531 4.350 -0.002 0.000 0.192 570 E C 2.215 178.818 176.600 0.004 0.000 0.983 570 E CA 1.287 57.677 56.400 -0.016 0.000 0.818 570 E CB -1.641 28.038 29.700 -0.035 0.000 0.758 570 E HN 1.054 nan 8.360 nan 0.000 0.467 571 F N 1.237 121.196 119.950 0.015 0.000 2.269 571 F HA 0.280 4.806 4.527 -0.002 0.000 0.301 571 F C 2.691 178.534 175.800 0.071 0.000 1.082 571 F CA 1.575 59.589 58.000 0.024 0.000 1.360 571 F CB -0.984 38.022 39.000 0.009 0.000 1.041 571 F HN 0.450 nan 8.300 nan 0.000 0.512 572 G N -0.255 108.614 108.800 0.114 0.000 2.551 572 G HA2 0.202 4.161 3.960 -0.002 0.000 0.216 572 G HA3 0.202 4.161 3.960 -0.002 0.000 0.216 572 G C 1.740 176.762 174.900 0.203 0.000 1.137 572 G CA 1.420 46.690 45.100 0.283 0.000 0.798 572 G HN 0.936 nan 8.290 nan 0.000 0.536 573 I N 0.019 120.627 120.570 0.063 0.000 2.333 573 I HA 0.355 4.524 4.170 -0.002 0.000 0.246 573 I C 2.877 178.994 176.117 0.001 0.000 1.106 573 I CA 1.901 63.195 61.300 -0.009 0.000 1.411 573 I CB -1.574 36.401 38.000 -0.041 0.000 1.082 573 I HN 0.338 nan 8.210 nan 0.000 0.420 574 F N 1.541 121.500 119.950 0.015 0.000 2.216 574 F HA -0.117 4.409 4.527 -0.002 0.000 0.300 574 F C 2.554 178.376 175.800 0.037 0.000 1.085 574 F CA 2.770 60.776 58.000 0.011 0.000 1.326 574 F CB -2.037 36.965 39.000 0.003 0.000 1.027 574 F HN 0.666 nan 8.300 nan 0.000 0.497 575 N N 0.387 119.141 118.700 0.090 0.000 2.207 575 N HA 0.034 4.773 4.740 -0.002 0.000 0.182 575 N C 2.293 177.902 175.510 0.164 0.000 1.020 575 N CA 1.986 55.119 53.050 0.137 0.000 0.858 575 N CB -1.350 37.250 38.487 0.188 0.000 0.991 575 N HN 0.862 nan 8.380 nan 0.000 0.427 576 S N -0.092 115.683 115.700 0.125 0.000 2.419 576 S HA 0.320 4.789 4.470 -0.002 0.000 0.233 576 S C 2.416 176.984 174.600 -0.054 0.000 1.016 576 S CA 1.929 60.085 58.200 -0.073 0.000 0.974 576 S CB -0.817 62.184 63.200 -0.331 0.000 0.786 576 S HN 1.151 nan 8.310 nan 0.000 0.492 577 L N -1.697 119.514 121.223 -0.020 0.000 2.341 577 L HA 0.397 4.736 4.340 -0.002 0.000 0.214 577 L C 2.679 179.549 176.870 0.000 0.000 1.115 577 L CA 1.605 56.437 54.840 -0.014 0.000 0.820 577 L CB -2.348 39.703 42.059 -0.013 0.000 0.944 577 L HN 0.889 nan 8.230 nan 0.000 0.452 578 W N -1.898 119.410 121.300 0.012 0.000 2.494 578 W HA 0.237 4.896 4.660 -0.002 0.000 0.286 578 W C 2.524 179.045 176.519 0.003 0.000 1.218 578 W CA 1.852 59.205 57.345 0.013 0.000 1.313 578 W CB -0.920 28.552 29.460 0.020 0.000 1.105 578 W HN 0.668 nan 8.180 nan 0.000 0.561 579 F N 0.923 120.875 119.950 0.003 0.000 2.407 579 F HA 0.275 4.801 4.527 -0.002 0.000 0.299 579 F C 2.417 178.158 175.800 -0.097 0.000 1.097 579 F CA 2.398 60.376 58.000 -0.035 0.000 1.422 579 F CB -1.349 37.652 39.000 0.002 0.000 1.067 579 F HN 0.483 nan 8.300 nan 0.000 0.539 580 S N 0.190 115.850 115.700 -0.066 0.000 2.461 580 S HA 0.282 4.751 4.470 -0.002 0.000 0.228 580 S C 2.179 176.785 174.600 0.010 0.000 1.005 580 S CA 1.472 59.642 58.200 -0.051 0.000 0.942 580 S CB -0.913 62.287 63.200 -0.000 0.000 0.776 580 S HN 1.286 nan 8.310 nan 0.000 0.514 581 L N 0.239 121.468 121.223 0.010 0.000 2.209 581 L HA 0.494 4.833 4.340 -0.002 0.000 0.207 581 L C 2.571 179.461 176.870 0.033 0.000 1.094 581 L CA 1.484 56.346 54.840 0.037 0.000 0.790 581 L CB -1.728 40.349 42.059 0.029 0.000 0.932 581 L HN 0.488 nan 8.230 nan 0.000 0.447 582 G N -1.403 107.393 108.800 -0.006 0.000 2.598 582 G HA2 0.198 4.157 3.960 -0.002 0.000 0.215 582 G HA3 0.198 4.157 3.960 -0.002 0.000 0.215 582 G C 1.648 176.513 174.900 -0.057 0.000 1.131 582 G CA 1.291 46.384 45.100 -0.013 0.000 0.785 582 G HN 0.845 nan 8.290 nan 0.000 0.539 583 A N 0.556 123.301 122.820 -0.125 0.000 1.859 583 A HA 0.499 4.818 4.320 -0.002 0.000 0.212 583 A C 1.636 179.302 177.584 0.138 0.000 1.238 583 A CA 0.654 52.512 52.037 -0.297 0.000 0.613 583 A CB -0.948 17.593 19.000 -0.766 0.000 0.904 583 A HN 0.918 nan 8.150 nan 0.000 0.457 584 F N 0.970 121.088 119.950 0.280 0.000 2.433 584 F HA 0.400 4.926 4.527 -0.002 0.000 0.398 584 F C 1.067 177.013 175.800 0.244 0.000 1.002 584 F CA 0.149 58.336 58.000 0.311 0.000 1.053 584 F CB -2.014 37.103 39.000 0.195 0.000 0.928 584 F HN 0.785 nan 8.300 nan 0.000 0.529 585 M N 2.666 122.445 119.600 0.299 0.000 2.207 585 M HA 0.704 5.183 4.480 -0.002 0.000 0.311 585 M C 0.125 176.549 176.300 0.207 0.000 1.127 585 M CA 0.242 55.719 55.300 0.294 0.000 1.181 585 M CB -0.190 32.612 32.600 0.337 0.000 1.409 585 M HN 2.509 nan 8.290 nan 0.000 0.461 594 R N 0.868 121.361 120.500 -0.011 0.000 4.680 594 R HA 0.554 4.893 4.340 -0.002 0.000 0.222 594 R C 0.506 176.800 176.300 -0.011 0.000 1.803 594 R CA 0.376 56.469 56.100 -0.011 0.000 1.560 594 R CB -1.598 28.694 30.300 -0.012 0.000 1.412 594 R HN 0.465 nan 8.270 nan 0.000 0.815 595 S N 0.821 116.514 115.700 -0.011 0.000 3.072 595 S HA 0.090 4.558 4.470 -0.002 0.000 0.306 595 S C 1.281 175.875 174.600 -0.010 0.000 1.207 595 S CA -0.506 57.686 58.200 -0.013 0.000 1.008 595 S CB 0.471 63.662 63.200 -0.017 0.000 1.390 595 S HN 0.514 nan 8.310 nan 0.000 0.523 596 L N 3.390 124.607 121.223 -0.009 0.000 2.085 596 L HA -0.203 4.136 4.340 -0.002 0.000 0.218 596 L C 2.539 179.407 176.870 -0.003 0.000 1.080 596 L CA 2.384 57.221 54.840 -0.006 0.000 0.776 596 L CB -1.314 40.740 42.059 -0.008 0.000 0.891 596 L HN 0.826 nan 8.230 nan 0.000 0.437 597 S N -0.749 114.947 115.700 -0.007 0.000 2.426 597 S HA -0.195 4.274 4.470 -0.002 0.000 0.220 597 S C 1.941 176.540 174.600 -0.002 0.000 1.040 597 S CA 1.688 59.884 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 0.437 109.233 108.800 -0.007 0.000 2.679 598 G HA2 0.034 3.992 3.960 -0.002 0.000 0.212 598 G HA3 0.034 3.992 3.960 -0.002 0.000 0.212 598 G C 1.532 176.439 174.900 0.011 0.000 1.137 598 G CA 1.068 46.165 45.100 -0.004 0.000 0.787 598 G HN 0.727 nan 8.290 nan 0.000 0.534 599 R N 1.461 121.967 120.500 0.010 0.000 2.062 599 R HA 0.090 4.429 4.340 -0.002 0.000 0.231 599 R C 2.512 178.833 176.300 0.035 0.000 1.136 599 R CA 1.473 57.582 56.100 0.016 0.000 0.948 599 R CB -1.207 29.095 30.300 0.004 0.000 0.845 599 R HN 0.783 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 4.093 4.170 -0.002 0.000 0.258 600 I C 1.915 178.085 176.117 0.087 0.000 1.189 600 I CA 1.089 62.419 61.300 0.050 0.000 1.462 600 I CB -0.387 37.633 38.000 0.033 0.000 1.092 600 I HN 0.076 nan 8.210 nan 0.000 0.442 601 V N 2.485 122.445 119.914 0.076 0.000 2.307 601 V HA -0.156 3.963 4.120 -0.002 0.000 0.245 601 V C 2.857 179.058 176.094 0.177 0.000 1.045 601 V CA 2.301 64.661 62.300 0.100 0.000 1.024 601 V CB -1.322 30.524 31.823 0.037 0.000 0.651 601 V HN 0.647 nan 8.190 nan 0.000 0.449 602 G N -0.365 108.525 108.800 0.150 0.000 2.422 602 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.218 602 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.218 602 G C 1.570 176.656 174.900 0.311 0.000 1.140 602 G CA 0.912 46.147 45.100 0.224 0.000 0.775 602 G HN 0.585 nan 8.290 nan 0.000 0.545 603 G N 0.374 109.306 108.800 0.220 0.000 2.394 603 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.214 603 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.214 603 G C 1.742 176.864 174.900 0.370 0.000 1.176 603 G CA 1.084 46.322 45.100 0.228 0.000 0.786 603 G HN 0.279 nan 8.290 nan 0.000 0.533 604 V N 0.314 120.413 119.914 0.308 0.000 2.358 604 V HA -0.128 3.991 4.120 -0.002 0.000 0.246 604 V C 2.276 178.645 176.094 0.459 0.000 1.047 604 V CA 1.592 64.097 62.300 0.341 0.000 1.035 604 V CB -0.552 31.409 31.823 0.230 0.000 0.658 604 V HN 0.668 nan 8.190 nan 0.000 0.452 605 W N -0.648 120.805 121.300 0.256 0.000 2.374 605 W HA -0.247 4.411 4.660 -0.002 0.000 0.288 605 W C 2.330 179.066 176.519 0.361 0.000 1.218 605 W CA 1.553 59.048 57.345 0.249 0.000 1.245 605 W CB -0.310 29.236 29.460 0.143 0.000 1.126 605 W HN 0.483 nan 8.180 nan 0.000 0.545 606 W N 0.667 122.085 121.300 0.197 0.000 2.381 606 W HA -0.221 4.438 4.660 -0.002 0.000 0.301 606 W C 2.360 178.907 176.519 0.046 0.000 1.205 606 W CA 2.302 59.691 57.345 0.074 0.000 1.285 606 W CB -1.253 28.297 29.460 0.149 0.000 1.133 606 W HN -0.114 nan 8.180 nan 0.000 0.521 607 F N 0.100 120.229 119.950 0.297 0.000 2.216 607 F HA -0.166 4.360 4.527 -0.002 0.000 0.300 607 F C 2.137 177.865 175.800 -0.120 0.000 1.085 607 F CA 1.925 59.973 58.000 0.080 0.000 1.326 607 F CB -0.929 38.218 39.000 0.245 0.000 1.027 607 F HN 0.011 nan 8.300 nan 0.000 0.497 608 F N 0.295 120.149 119.950 -0.160 0.000 2.084 608 F HA -0.134 4.391 4.527 -0.002 0.000 0.296 608 F C 2.666 178.138 175.800 -0.546 0.000 1.111 608 F CA 2.164 59.973 58.000 -0.319 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 0.245 114.397 114.554 -0.671 0.000 2.915 609 T HA -0.154 4.195 4.350 -0.002 0.000 0.269 609 T C 1.962 176.228 174.700 -0.723 0.000 1.071 609 T CA 1.321 62.968 62.100 -0.756 0.000 1.132 609 T CB -0.573 67.912 68.868 -0.637 0.000 0.878 609 T HN 0.292 nan 8.240 nan 0.000 0.479 610 L N 1.148 121.871 121.223 -0.834 0.000 2.017 610 L HA 0.005 4.344 4.340 -0.002 0.000 0.208 610 L C 2.142 178.615 176.870 -0.662 0.000 1.073 610 L CA 1.706 56.048 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 3.867 4.170 -0.002 0.000 0.245 611 I C 2.653 178.459 176.117 -0.519 0.000 1.100 611 I CA 1.522 62.450 61.300 -0.619 0.000 1.374 611 I CB -1.029 36.578 38.000 -0.655 0.000 1.057 611 I HN 0.306 nan 8.210 nan 0.000 0.413 612 I N 1.298 121.486 120.570 -0.636 0.000 2.142 612 I HA -0.300 3.868 4.170 -0.002 0.000 0.240 612 I C 2.634 178.525 176.117 -0.377 0.000 1.078 612 I CA 1.681 62.652 61.300 -0.548 0.000 1.343 612 I CB -0.304 37.278 38.000 -0.696 0.000 1.046 612 I HN 0.203 nan 8.210 nan 0.000 0.405 613 I N -1.811 118.538 120.570 -0.368 0.000 2.454 613 I HA -0.193 3.976 4.170 -0.002 0.000 0.254 613 I C 2.456 178.487 176.117 -0.144 0.000 1.156 613 I CA 1.371 62.534 61.300 -0.230 0.000 1.433 613 I CB -0.521 37.337 38.000 -0.236 0.000 1.082 613 I HN 0.026 nan 8.210 nan 0.000 0.432 614 S N 1.165 116.733 115.700 -0.220 0.000 2.371 614 S HA -0.100 4.369 4.470 -0.002 0.000 0.224 614 S C 2.166 176.674 174.600 -0.153 0.000 1.029 614 S CA 1.575 59.669 58.200 -0.176 0.000 0.978 614 S CB -0.204 62.863 63.200 -0.220 0.000 0.833 614 S HN 0.548 nan 8.310 nan 0.000 0.466 615 S N 0.564 116.151 115.700 -0.189 0.000 2.356 615 S HA -0.106 4.363 4.470 -0.002 0.000 0.223 615 S C 1.634 176.150 174.600 -0.140 0.000 1.032 615 S CA 1.230 59.324 58.200 -0.177 0.000 1.005 615 S CB -0.495 62.577 63.200 -0.212 0.000 0.867 615 S HN 0.653 nan 8.310 nan 0.000 0.449 616 Y N 2.590 122.750 120.300 -0.234 0.000 2.128 616 Y HA -0.230 4.319 4.550 -0.002 0.000 0.284 616 Y C 2.517 178.343 175.900 -0.123 0.000 1.154 616 Y CA 1.989 59.973 58.100 -0.193 0.000 1.149 616 Y CB -0.907 37.425 38.460 -0.213 0.000 0.976 616 Y HN 0.171 nan 8.280 nan 0.000 0.505 617 T N 0.734 115.287 114.554 -0.001 0.000 2.708 617 T HA -0.194 4.155 4.350 -0.002 0.000 0.266 617 T C 2.117 176.725 174.700 -0.154 0.000 1.037 617 T CA 1.558 63.624 62.100 -0.056 0.000 1.146 617 T CB -0.849 68.024 68.868 0.009 0.000 0.865 617 T HN 0.512 nan 8.240 nan 0.000 0.435 618 A N 1.917 124.646 122.820 -0.151 0.000 1.877 618 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 618 A C 2.214 179.655 177.584 -0.238 0.000 1.186 618 A CA 1.945 53.882 52.037 -0.168 0.000 0.620 618 A CB -0.995 17.913 19.000 -0.153 0.000 0.822 618 A HN 0.632 nan 8.150 nan 0.000 0.443 619 N N -0.583 117.945 118.700 -0.286 0.000 2.120 619 N HA -0.167 4.572 4.740 -0.002 0.000 0.188 619 N C 1.749 176.982 175.510 -0.461 0.000 1.024 619 N CA 1.471 54.281 53.050 -0.400 0.000 0.852 619 N CB -0.154 38.140 38.487 -0.321 0.000 1.003 619 N HN 0.341 nan 8.380 nan 0.000 0.424 620 L N 1.220 122.226 121.223 -0.362 0.000 2.191 620 L HA 0.003 4.342 4.340 -0.002 0.000 0.212 620 L C 2.196 178.988 176.870 -0.131 0.000 1.103 620 L CA 1.380 56.083 54.840 -0.229 0.000 0.769 620 L CB -0.614 41.204 42.059 -0.401 0.000 0.908 620 L HN 0.170 nan 8.230 nan 0.000 0.438 621 A N -0.710 122.005 122.820 -0.175 0.000 1.929 621 A HA 0.039 4.358 4.320 -0.002 0.000 0.216 621 A C 2.436 179.941 177.584 -0.132 0.000 1.176 621 A CA 1.287 53.254 52.037 -0.116 0.000 0.628 621 A CB -0.926 18.009 19.000 -0.108 0.000 0.816 621 A HN 0.504 nan 8.150 nan 0.000 0.444 622 A N -0.968 121.699 122.820 -0.255 0.000 1.930 622 A HA 0.038 4.357 4.320 -0.002 0.000 0.217 622 A C 1.789 179.271 177.584 -0.170 0.000 1.175 622 A CA 1.394 53.271 52.037 -0.266 0.000 0.627 622 A CB -0.696 18.058 19.000 -0.410 0.000 0.815 622 A HN 0.431 nan 8.150 nan 0.000 0.443 623 F N -0.179 119.737 119.950 -0.057 0.000 2.365 623 F HA 0.041 4.566 4.527 -0.002 0.000 0.300 623 F C 1.870 177.655 175.800 -0.026 0.000 1.090 623 F CA 0.537 58.513 58.000 -0.040 0.000 1.408 623 F CB -0.433 38.539 39.000 -0.047 0.000 1.060 623 F HN 0.108 nan 8.300 nan 0.000 0.534 624 L N -1.685 119.612 121.223 0.124 0.000 2.298 624 L HA -0.024 4.314 4.340 -0.002 0.000 0.209 624 L C 2.176 179.070 176.870 0.040 0.000 1.084 624 L CA 0.746 55.631 54.840 0.074 0.000 0.816 624 L CB -0.865 41.224 42.059 0.050 0.000 0.967 624 L HN -0.021 nan 8.230 nan 0.000 0.460 625 T N -0.119 114.443 114.554 0.014 0.000 2.737 625 T HA -0.125 4.224 4.350 -0.002 0.000 0.265 625 T C 1.988 176.695 174.700 0.013 0.000 1.038 625 T CA 1.226 63.326 62.100 -0.000 0.000 1.144 625 T CB -0.089 68.762 68.868 -0.028 0.000 0.866 625 T HN 0.024 nan 8.240 nan 0.000 0.434 626 V N 1.733 121.663 119.914 0.027 0.000 2.515 626 V HA -0.080 4.039 4.120 -0.002 0.000 0.250 626 V C 3.054 179.177 176.094 0.047 0.000 1.058 626 V CA 2.123 64.446 62.300 0.039 0.000 1.064 626 V CB -1.251 30.610 31.823 0.063 0.000 0.675 626 V HN 0.698 nan 8.190 nan 0.000 0.461 627 E N 0.497 120.734 120.200 0.061 0.000 2.204 627 E HA -0.253 4.096 4.350 -0.002 0.000 0.195 627 E C 2.193 178.814 176.600 0.035 0.000 0.990 627 E CA 1.573 58.004 56.400 0.052 0.000 0.821 627 E CB -0.474 29.263 29.700 0.061 0.000 0.750 627 E HN 0.727 nan 8.360 nan 0.000 0.477 628 R N -1.198 119.319 120.500 0.028 0.000 2.140 628 R HA 0.287 4.626 4.340 -0.002 0.000 0.213 628 R C 2.682 178.990 176.300 0.013 0.000 1.059 628 R CA 0.909 57.020 56.100 0.019 0.000 1.000 628 R CB -0.117 30.192 30.300 0.014 0.000 0.910 628 R HN 0.343 nan 8.270 nan 0.000 0.455 629 M N 1.018 120.626 119.600 0.013 0.000 2.106 629 M HA -0.112 4.367 4.480 -0.002 0.000 0.259 629 M C 0.582 176.887 176.300 0.008 0.000 1.068 629 M CA 1.154 56.459 55.300 0.008 0.000 1.100 629 M CB -0.184 32.421 32.600 0.008 0.000 1.351 629 M HN -0.121 nan 8.290 nan 0.000 0.404 630 V N 1.944 121.866 119.914 0.014 0.000 2.450 630 V HA -0.063 4.056 4.120 -0.002 0.000 0.264 630 V C 0.507 176.606 176.094 0.009 0.000 0.996 630 V CA 0.153 62.460 62.300 0.013 0.000 1.138 630 V CB -0.598 31.237 31.823 0.019 0.000 1.051 630 V HN 0.240 nan 8.190 nan 0.000 0.470 631 S N 6.815 122.517 115.700 0.003 0.000 2.475 631 S HA 0.516 4.985 4.470 -0.002 0.000 0.281 631 S C -1.880 172.718 174.600 -0.003 0.000 1.198 631 S CA -1.297 56.902 58.200 -0.001 0.000 1.063 631 S CB 0.859 64.055 63.200 -0.007 0.000 0.972 631 S HN 0.650 nan 8.310 nan 0.000 0.486 632 P HA 0.146 nan 4.420 nan 0.000 0.269 632 P C -0.447 176.847 177.300 -0.010 0.000 1.209 632 P CA -0.486 62.614 63.100 -0.001 0.000 0.776 632 P CB 0.221 31.923 31.700 0.003 0.000 0.876 633 I N 2.050 122.612 120.570 -0.013 0.000 2.705 633 I HA -0.027 4.142 4.170 -0.002 0.000 0.291 633 I C 1.725 177.827 176.117 -0.026 0.000 1.146 633 I CA 0.719 62.002 61.300 -0.029 0.000 1.383 633 I CB -1.140 36.838 38.000 -0.037 0.000 1.454 633 I HN 0.604 nan 8.210 nan 0.000 0.581 634 E N 5.438 125.621 120.200 -0.028 0.000 2.057 634 E HA 0.012 4.361 4.350 -0.002 0.000 0.191 634 E C 1.134 177.718 176.600 -0.026 0.000 0.959 634 E CA 0.906 57.294 56.400 -0.021 0.000 0.828 634 E CB 0.032 29.721 29.700 -0.019 0.000 0.800 634 E HN 0.666 nan 8.360 nan 0.000 0.460 635 S N -2.155 113.523 115.700 -0.038 0.000 2.786 635 S HA 0.723 5.192 4.470 -0.002 0.000 0.307 635 S C 1.575 176.138 174.600 -0.062 0.000 1.121 635 S CA 0.066 58.243 58.200 -0.038 0.000 0.975 635 S CB 1.391 64.567 63.200 -0.040 0.000 1.220 635 S HN 0.829 nan 8.310 nan 0.000 0.550 636 A N 0.062 122.850 122.820 -0.054 0.000 1.968 636 A HA 0.216 4.535 4.320 -0.002 0.000 0.217 636 A C 2.237 179.733 177.584 -0.147 0.000 1.169 636 A CA 1.555 53.544 52.037 -0.079 0.000 0.638 636 A CB -1.875 17.136 19.000 0.018 0.000 0.812 636 A HN 1.185 nan 8.150 nan 0.000 0.446 637 E N 0.462 120.579 120.200 -0.139 0.000 2.265 637 E HA -0.226 4.122 4.350 -0.002 0.000 0.196 637 E C 1.417 177.950 176.600 -0.112 0.000 0.996 637 E CA 1.527 57.846 56.400 -0.134 0.000 0.832 637 E CB -0.793 28.840 29.700 -0.113 0.000 0.756 637 E HN 0.656 nan 8.360 nan 0.000 0.491 638 D N -0.177 120.159 120.400 -0.107 0.000 2.224 638 D HA 0.012 4.651 4.640 -0.002 0.000 0.205 638 D C 1.901 178.126 176.300 -0.124 0.000 0.965 638 D CA 0.405 54.349 54.000 -0.094 0.000 0.852 638 D CB -0.002 40.754 40.800 -0.075 0.000 0.947 638 D HN 0.434 nan 8.370 nan 0.000 0.494 639 L N 0.654 121.752 121.223 -0.207 0.000 2.217 639 L HA -0.083 4.256 4.340 -0.002 0.000 0.211 639 L C 2.290 179.029 176.870 -0.218 0.000 1.107 639 L CA 0.944 55.578 54.840 -0.344 0.000 0.783 639 L CB -0.197 41.394 42.059 -0.781 0.000 0.919 639 L HN 0.064 nan 8.230 nan 0.000 0.442 640 S N -0.705 114.905 115.700 -0.150 0.000 2.439 640 S HA -0.063 4.406 4.470 -0.002 0.000 0.224 640 S C 2.189 176.762 174.600 -0.045 0.000 1.029 640 S CA 0.715 58.885 58.200 -0.051 0.000 0.946 640 S CB -0.203 62.974 63.200 -0.040 0.000 0.797 640 S HN 0.316 nan 8.310 nan 0.000 0.504 641 K N 0.626 120.991 120.400 -0.058 0.000 2.432 641 K HA 0.161 4.480 4.320 -0.002 0.000 0.196 641 K C 1.015 177.591 176.600 -0.039 0.000 1.038 641 K CA 1.077 57.338 56.287 -0.043 0.000 0.986 641 K CB -0.668 31.806 32.500 -0.044 0.000 0.782 641 K HN 0.893 nan 8.250 nan 0.000 0.485 642 Q N -3.608 116.165 119.800 -0.046 0.000 2.496 642 Q HA 0.625 4.964 4.340 -0.002 0.000 0.286 642 Q C 0.521 176.484 176.000 -0.061 0.000 1.103 642 Q CA -0.156 55.623 55.803 -0.040 0.000 0.813 642 Q CB 1.732 30.452 28.738 -0.029 0.000 1.444 642 Q HN -0.058 nan 8.270 nan 0.000 0.443 643 T N -1.970 112.550 114.554 -0.056 0.000 3.028 643 T HA 0.180 4.529 4.350 -0.002 0.000 0.262 643 T C 1.381 176.060 174.700 -0.036 0.000 0.916 643 T CA 0.989 63.033 62.100 -0.092 0.000 0.873 643 T CB -0.164 68.663 68.868 -0.067 0.000 1.232 643 T HN 0.649 nan 8.240 nan 0.000 0.529 644 E N 1.328 121.524 120.200 -0.007 0.000 2.097 644 E HA 0.036 4.385 4.350 -0.002 0.000 0.196 644 E C 0.864 177.487 176.600 0.037 0.000 1.000 644 E CA 1.285 57.694 56.400 0.016 0.000 0.804 644 E CB -0.772 28.938 29.700 0.016 0.000 0.740 644 E HN 0.772 nan 8.360 nan 0.000 0.454 645 I N 0.990 121.586 120.570 0.043 0.000 2.291 645 I HA 0.519 4.688 4.170 -0.002 0.000 0.290 645 I C 0.582 176.777 176.117 0.130 0.000 1.050 645 I CA -0.882 60.468 61.300 0.084 0.000 1.245 645 I CB 1.232 39.274 38.000 0.069 0.000 1.405 645 I HN 0.362 nan 8.210 nan 0.000 0.478 646 A N 7.256 130.171 122.820 0.160 0.000 2.386 646 A HA 0.554 4.873 4.320 -0.002 0.000 0.246 646 A C -0.686 177.048 177.584 0.249 0.000 1.089 646 A CA 0.260 52.414 52.037 0.195 0.000 0.790 646 A CB 0.291 19.451 19.000 0.267 0.000 1.042 646 A HN 0.754 nan 8.150 nan 0.000 0.497 647 Y N -2.760 117.660 120.300 0.200 0.000 2.604 647 Y HA 0.690 5.239 4.550 -0.002 0.000 0.331 647 Y C -0.149 175.794 175.900 0.071 0.000 1.158 647 Y CA -0.492 57.572 58.100 -0.061 0.000 1.056 647 Y CB 0.595 38.982 38.460 -0.122 0.000 1.330 647 Y HN 1.220 nan 8.280 nan 0.000 0.457 648 G N 0.122 109.012 108.800 0.150 0.000 2.606 648 G HA2 0.631 4.589 3.960 -0.002 0.000 0.300 648 G HA3 0.631 4.589 3.960 -0.002 0.000 0.300 648 G C -1.255 173.768 174.900 0.205 0.000 1.360 648 G CA -0.365 44.771 45.100 0.060 0.000 0.783 648 G HN 1.212 nan 8.290 nan 0.000 0.484 649 T N -2.604 112.128 114.554 0.297 0.000 2.724 649 T HA 0.693 5.042 4.350 -0.002 0.000 0.274 649 T C -0.584 174.499 174.700 0.639 0.000 0.984 649 T CA -0.686 61.654 62.100 0.399 0.000 1.024 649 T CB 1.329 70.443 68.868 0.411 0.000 1.320 649 T HN 0.830 nan 8.240 nan 0.000 0.555 650 L N 2.386 123.922 121.223 0.522 0.000 2.416 650 L HA 0.262 4.601 4.340 -0.002 0.000 0.272 650 L C 1.236 178.330 176.870 0.373 0.000 1.161 650 L CA 0.085 55.200 54.840 0.457 0.000 0.845 650 L CB 0.305 42.571 42.059 0.345 0.000 1.119 650 L HN 0.862 nan 8.230 nan 0.000 0.464 651 D N 0.537 121.110 120.400 0.289 0.000 2.263 651 D HA -0.085 4.554 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 1.188 55.247 54.000 0.098 0.000 0.867 651 D CB -0.234 40.623 40.800 0.096 0.000 0.929 651 D HN 0.420 nan 8.370 nan 0.000 0.492 652 S N -1.957 113.798 115.700 0.090 0.000 2.614 652 S HA 0.710 5.179 4.470 -0.002 0.000 0.275 652 S C -0.170 174.483 174.600 0.089 0.000 1.161 652 S CA -0.315 57.923 58.200 0.063 0.000 0.969 652 S CB 2.036 65.265 63.200 0.049 0.000 1.059 652 S HN 0.760 nan 8.310 nan 0.000 0.482 653 G N 1.246 110.087 108.800 0.068 0.000 2.361 653 G HA2 0.347 4.306 3.960 -0.002 0.000 0.305 653 G HA3 0.347 4.306 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 0.041 45.179 45.100 0.064 0.000 0.951 653 G HN 1.652 nan 8.290 nan 0.000 0.615 654 S N -1.172 114.537 115.700 0.014 0.000 2.419 654 S HA -0.101 4.368 4.470 -0.002 0.000 0.233 654 S C 2.149 176.755 174.600 0.009 0.000 1.016 654 S CA 2.617 60.809 58.200 -0.013 0.000 0.974 654 S CB -0.527 62.637 63.200 -0.060 0.000 0.786 654 S HN 0.886 nan 8.310 nan 0.000 0.492 655 T N 2.281 116.857 114.554 0.037 0.000 2.674 655 T HA -0.030 4.319 4.350 -0.002 0.000 0.265 655 T C 2.445 177.313 174.700 0.281 0.000 1.039 655 T CA 2.211 64.368 62.100 0.096 0.000 1.150 655 T CB -0.827 68.112 68.868 0.118 0.000 0.864 655 T HN 0.791 nan 8.240 nan 0.000 0.427 656 K N 1.250 121.809 120.400 0.264 0.000 2.025 656 K HA 0.061 4.380 4.320 -0.002 0.000 0.207 656 K C 2.341 178.983 176.600 0.070 0.000 1.049 656 K CA 1.940 58.412 56.287 0.308 0.000 0.933 656 K CB -1.614 31.020 32.500 0.223 0.000 0.714 656 K HN 0.643 nan 8.250 nan 0.000 0.438 657 E N 0.128 120.320 120.200 -0.013 0.000 2.265 657 E HA -0.037 4.312 4.350 -0.002 0.000 0.196 657 E C 1.726 178.224 176.600 -0.171 0.000 0.996 657 E CA 1.268 57.586 56.400 -0.136 0.000 0.832 657 E CB -0.875 28.778 29.700 -0.079 0.000 0.756 657 E HN 0.701 nan 8.360 nan 0.000 0.491 658 F N 0.332 120.132 119.950 -0.250 0.000 2.084 658 F HA 0.002 4.528 4.527 -0.002 0.000 0.296 658 F C 2.003 177.539 175.800 -0.440 0.000 1.111 658 F CA 1.750 59.518 58.000 -0.386 0.000 1.224 658 F CB -0.374 38.309 39.000 -0.528 0.000 0.991 658 F HN 0.183 nan 8.300 nan 0.000 0.471 659 F N 0.711 120.422 119.950 -0.399 0.000 2.171 659 F HA -0.076 4.450 4.527 -0.002 0.000 0.300 659 F C 2.905 178.252 175.800 -0.754 0.000 1.090 659 F CA 2.034 59.775 58.000 -0.432 0.000 1.293 659 F CB -1.538 37.522 39.000 0.101 0.000 1.013 659 F HN -0.019 nan 8.300 nan 0.000 0.486 660 R N 0.812 120.669 120.500 -1.071 0.000 2.091 660 R HA -0.071 4.268 4.340 -0.002 0.000 0.238 660 R C 2.208 178.122 176.300 -0.643 0.000 1.136 660 R CA 2.046 57.244 56.100 -1.505 0.000 0.959 660 R CB -2.057 27.506 30.300 -1.228 0.000 0.856 660 R HN 0.395 nan 8.270 nan 0.000 0.437 661 R N 0.373 120.586 120.500 -0.477 0.000 2.280 661 R HA 0.291 4.630 4.340 -0.002 0.000 0.195 661 R C 1.615 177.730 176.300 -0.308 0.000 0.935 661 R CA 0.597 56.514 56.100 -0.306 0.000 1.033 661 R CB -0.880 29.277 30.300 -0.238 0.000 0.964 661 R HN 0.557 nan 8.270 nan 0.000 0.489 662 S N 0.592 116.015 115.700 -0.462 0.000 2.516 662 S HA 0.406 4.875 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 0.538 58.464 58.200 -0.456 0.000 1.066 662 S CB 0.945 63.654 63.200 -0.818 0.000 0.884 662 S HN 0.691 nan 8.310 nan 0.000 0.491 663 K N 4.752 125.092 120.400 -0.101 0.000 2.397 663 K HA 0.379 4.697 4.320 -0.002 0.000 0.202 663 K C 0.407 177.027 176.600 0.032 0.000 1.022 663 K CA -0.022 56.255 56.287 -0.018 0.000 1.141 663 K CB -0.491 31.996 32.500 -0.021 0.000 0.857 663 K HN 0.811 nan 8.250 nan 0.000 0.514 664 I N 0.769 121.383 120.570 0.074 0.000 2.575 664 I HA 0.212 4.381 4.170 -0.002 0.000 0.285 664 I C 2.024 178.209 176.117 0.114 0.000 1.085 664 I CA -0.333 61.053 61.300 0.143 0.000 1.403 664 I CB 1.544 39.755 38.000 0.351 0.000 1.409 664 I HN 0.289 nan 8.210 nan 0.000 0.557 665 A N 6.060 128.909 122.820 0.048 0.000 1.852 665 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 665 A C 2.157 179.737 177.584 -0.006 0.000 1.215 665 A CA 2.230 54.277 52.037 0.017 0.000 0.641 665 A CB -0.980 18.013 19.000 -0.011 0.000 0.838 665 A HN 0.630 nan 8.150 nan 0.000 0.450 666 V N -1.043 118.795 119.914 -0.127 0.000 2.255 666 V HA -0.281 3.838 4.120 -0.002 0.000 0.247 666 V C 2.388 178.426 176.094 -0.094 0.000 1.051 666 V CA 2.360 64.534 62.300 -0.210 0.000 1.018 666 V CB -1.253 30.295 31.823 -0.457 0.000 0.641 666 V HN 0.543 nan 8.190 nan 0.000 0.445 667 F N 0.514 120.562 119.950 0.163 0.000 2.269 667 F HA -0.149 4.377 4.527 -0.002 0.000 0.301 667 F C 2.308 178.286 175.800 0.296 0.000 1.082 667 F CA 1.515 59.688 58.000 0.288 0.000 1.360 667 F CB -0.772 38.310 39.000 0.136 0.000 1.041 667 F HN 0.241 nan 8.300 nan 0.000 0.512 668 D N 1.225 121.817 120.400 0.321 0.000 2.078 668 D HA -0.205 4.434 4.640 -0.002 0.000 0.193 668 D C 2.429 178.906 176.300 0.296 0.000 0.990 668 D CA 2.233 56.401 54.000 0.281 0.000 0.827 668 D CB -0.092 40.811 40.800 0.172 0.000 0.975 668 D HN 0.247 nan 8.370 nan 0.000 0.451 669 K N 0.873 121.396 120.400 0.205 0.000 2.063 669 K HA -0.122 4.196 4.320 -0.002 0.000 0.208 669 K C 2.443 179.189 176.600 0.242 0.000 1.048 669 K CA 1.892 58.283 56.287 0.175 0.000 0.928 669 K CB -1.100 31.462 32.500 0.105 0.000 0.713 669 K HN 0.344 nan 8.250 nan 0.000 0.442 670 M N -1.294 118.486 119.600 0.299 0.000 2.080 670 M HA -0.141 4.338 4.480 -0.002 0.000 0.260 670 M C 2.397 178.938 176.300 0.403 0.000 1.068 670 M CA 2.118 57.649 55.300 0.386 0.000 1.109 670 M CB -0.369 32.438 32.600 0.345 0.000 1.342 670 M HN 0.702 nan 8.290 nan 0.000 0.405 671 W N 1.376 122.814 121.300 0.229 0.000 2.358 671 W HA -0.187 4.472 4.660 -0.002 0.000 0.303 671 W C 1.750 178.364 176.519 0.158 0.000 1.208 671 W CA 1.781 59.244 57.345 0.197 0.000 1.274 671 W CB -0.382 29.224 29.460 0.244 0.000 1.138 671 W HN 0.191 nan 8.180 nan 0.000 0.515 672 T N 0.565 115.151 114.554 0.055 0.000 2.699 672 T HA -0.333 4.016 4.350 -0.002 0.000 0.268 672 T C 1.318 175.940 174.700 -0.130 0.000 1.036 672 T CA 2.155 64.199 62.100 -0.094 0.000 1.147 672 T CB -0.934 67.966 68.868 0.054 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 -0.133 0.000 2.133 673 Y HA -0.044 4.505 4.550 -0.002 0.000 0.287 673 Y C 2.277 178.008 175.900 -0.282 0.000 1.134 673 Y CA 1.291 59.283 58.100 -0.179 0.000 1.133 673 Y CB -0.472 37.898 38.460 -0.151 0.000 0.987 673 Y HN 0.097 nan 8.280 nan 0.000 0.502 674 M N 0.354 119.644 119.600 -0.516 0.000 2.279 674 M HA -0.158 4.321 4.480 -0.002 0.000 0.264 674 M C 2.493 178.491 176.300 -0.504 0.000 1.062 674 M CA 1.860 56.755 55.300 -0.675 0.000 1.099 674 M CB -0.456 31.952 32.600 -0.320 0.000 1.394 674 M HN 0.383 nan 8.290 nan 0.000 0.426 675 R N 0.587 120.695 120.500 -0.653 0.000 2.148 675 R HA -0.042 4.297 4.340 -0.002 0.000 0.227 675 R C 1.791 177.887 176.300 -0.340 0.000 1.103 675 R CA 1.866 57.557 56.100 -0.681 0.000 0.983 675 R CB -1.342 28.343 30.300 -1.025 0.000 0.874 675 R HN 0.644 nan 8.270 nan 0.000 0.451 676 S N -2.057 113.439 115.700 -0.340 0.000 2.819 676 S HA 0.618 5.087 4.470 -0.002 0.000 0.249 676 S C 0.658 175.094 174.600 -0.273 0.000 1.030 676 S CA 0.119 58.177 58.200 -0.235 0.000 1.052 676 S CB 0.224 63.318 63.200 -0.177 0.000 1.017 676 S HN 0.775 nan 8.310 nan 0.000 0.576 677 A N 1.242 123.796 122.820 -0.444 0.000 2.450 677 A HA 0.617 4.936 4.320 -0.002 0.000 0.255 677 A C 0.404 177.813 177.584 -0.291 0.000 1.096 677 A CA 0.399 52.124 52.037 -0.520 0.000 0.778 677 A CB -0.156 18.236 19.000 -1.013 0.000 1.031 677 A HN 0.848 nan 8.150 nan 0.000 0.494 678 E N 3.470 123.553 120.200 -0.196 0.000 2.234 678 E HA 0.657 5.005 4.350 -0.002 0.000 0.266 678 E C -2.037 174.507 176.600 -0.093 0.000 0.877 678 E CA -1.633 54.695 56.400 -0.120 0.000 0.758 678 E CB 0.305 29.956 29.700 -0.083 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 0.305 177.542 177.300 -0.105 0.000 1.270 679 P CA -0.434 62.618 63.100 -0.079 0.000 0.791 679 P CB 0.619 32.277 31.700 -0.069 0.000 1.089 680 S N -0.475 115.186 115.700 -0.064 0.000 2.546 680 S HA 0.035 4.504 4.470 -0.002 0.000 0.290 680 S C 1.191 175.721 174.600 -0.117 0.000 1.262 680 S CA -0.349 57.833 58.200 -0.030 0.000 1.083 680 S CB -0.455 62.790 63.200 0.076 0.000 0.859 680 S HN 0.326 nan 8.310 nan 0.000 0.495 681 V N 3.920 123.663 119.914 -0.284 0.000 3.623 681 V HA 0.377 4.496 4.120 -0.002 0.000 0.271 681 V C 0.162 176.106 176.094 -0.250 0.000 1.248 681 V CA 0.021 62.137 62.300 -0.308 0.000 1.156 681 V CB -1.242 30.317 31.823 -0.441 0.000 0.870 681 V HN 0.638 nan 8.190 nan 0.000 0.453 682 F N 1.523 121.528 119.950 0.092 0.000 2.385 682 F HA 0.692 5.218 4.527 -0.002 0.000 0.336 682 F C 0.339 176.208 175.800 0.115 0.000 1.100 682 F CA -0.851 57.243 58.000 0.157 0.000 1.116 682 F CB 1.481 40.562 39.000 0.134 0.000 1.166 682 F HN 0.009 nan 8.300 nan 0.000 0.511 683 V N -0.194 119.921 119.914 0.336 0.000 2.994 683 V HA 0.816 4.934 4.120 -0.002 0.000 0.318 683 V C 0.718 176.916 176.094 0.173 0.000 1.085 683 V CA -0.610 61.797 62.300 0.177 0.000 0.998 683 V CB 1.021 32.893 31.823 0.083 0.000 1.063 683 V HN 0.859 nan 8.190 nan 0.000 0.447 684 R N 1.147 121.709 120.500 0.103 0.000 2.057 684 R HA 0.236 4.575 4.340 -0.002 0.000 0.229 684 R C 1.350 177.710 176.300 0.100 0.000 1.136 684 R CA 1.819 57.974 56.100 0.093 0.000 0.952 684 R CB -1.265 29.070 30.300 0.059 0.000 0.848 684 R HN 1.209 nan 8.270 nan 0.000 0.430 685 T N -5.261 109.341 114.554 0.079 0.000 2.910 685 T HA 0.377 4.726 4.350 -0.002 0.000 0.287 685 T C 0.983 175.727 174.700 0.073 0.000 1.050 685 T CA 0.217 62.369 62.100 0.087 0.000 1.011 685 T CB 1.712 70.619 68.868 0.065 0.000 1.195 685 T HN 0.073 nan 8.240 nan 0.000 0.540 686 T N 0.860 115.478 114.554 0.107 0.000 2.867 686 T HA 0.045 4.394 4.350 -0.002 0.000 0.268 686 T C 2.325 177.020 174.700 -0.010 0.000 1.057 686 T CA 1.292 63.455 62.100 0.104 0.000 1.136 686 T CB -0.756 68.233 68.868 0.201 0.000 0.874 686 T HN 0.792 nan 8.240 nan 0.000 0.466 687 A N 1.448 124.281 122.820 0.021 0.000 1.933 687 A HA -0.007 4.312 4.320 -0.002 0.000 0.218 687 A C 2.479 180.042 177.584 -0.036 0.000 1.175 687 A CA 2.083 54.125 52.037 0.008 0.000 0.628 687 A CB -1.088 17.930 19.000 0.029 0.000 0.814 687 A HN 0.593 nan 8.150 nan 0.000 0.444 688 E N -0.715 119.456 120.200 -0.047 0.000 2.110 688 E HA -0.001 4.348 4.350 -0.002 0.000 0.193 688 E C 2.298 178.819 176.600 -0.131 0.000 0.988 688 E CA 1.664 58.026 56.400 -0.063 0.000 0.804 688 E CB -1.585 28.094 29.700 -0.034 0.000 0.745 688 E HN 0.695 nan 8.360 nan 0.000 0.458 689 G N 0.327 108.954 108.800 -0.289 0.000 2.421 689 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.216 689 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.216 689 G C 1.963 176.667 174.900 -0.325 0.000 1.171 689 G CA 1.427 46.177 45.100 -0.582 0.000 0.775 689 G HN 0.465 nan 8.290 nan 0.000 0.543 690 V N 1.598 121.369 119.914 -0.237 0.000 2.343 690 V HA -0.126 3.993 4.120 -0.002 0.000 0.247 690 V C 3.319 179.425 176.094 0.019 0.000 1.051 690 V CA 1.962 64.246 62.300 -0.027 0.000 1.036 690 V CB -0.861 30.977 31.823 0.025 0.000 0.654 690 V HN 0.474 nan 8.190 nan 0.000 0.451 691 A N 0.309 123.123 122.820 -0.009 0.000 1.933 691 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 691 A C 2.528 180.122 177.584 0.018 0.000 1.175 691 A CA 2.336 54.376 52.037 0.006 0.000 0.628 691 A CB -0.647 18.347 19.000 -0.010 0.000 0.814 691 A HN 0.530 nan 8.150 nan 0.000 0.444 692 R N -0.669 119.838 120.500 0.011 0.000 2.115 692 R HA 0.082 4.421 4.340 -0.002 0.000 0.230 692 R C 2.084 178.496 176.300 0.187 0.000 1.111 692 R CA 1.670 57.774 56.100 0.007 0.000 0.976 692 R CB -1.665 28.528 30.300 -0.178 0.000 0.870 692 R HN 0.433 nan 8.270 nan 0.000 0.445 693 V N 0.783 120.854 119.914 0.261 0.000 2.719 693 V HA -0.087 4.031 4.120 -0.002 0.000 0.252 693 V C 2.287 178.467 176.094 0.143 0.000 1.065 693 V CA 1.560 64.011 62.300 0.253 0.000 1.086 693 V CB -0.428 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 0.431 120.991 120.500 0.100 0.000 2.275 694 R HA 0.081 4.420 4.340 -0.002 0.000 0.199 694 R C 1.918 178.251 176.300 0.055 0.000 0.989 694 R CA 0.986 57.127 56.100 0.068 0.000 1.016 694 R CB -0.101 30.230 30.300 0.051 0.000 0.918 694 R HN 0.514 nan 8.270 nan 0.000 0.473 695 K N -0.031 120.402 120.400 0.056 0.000 2.413 695 K HA 0.210 4.528 4.320 -0.002 0.000 0.204 695 K C 1.071 177.695 176.600 0.041 0.000 1.041 695 K CA 0.015 56.323 56.287 0.036 0.000 1.082 695 K CB 0.728 33.237 32.500 0.016 0.000 0.871 695 K HN -0.036 nan 8.250 nan 0.000 0.535 696 S N 0.252 115.995 115.700 0.071 0.000 2.539 696 S HA 0.284 4.753 4.470 -0.002 0.000 0.221 696 S C 1.221 175.867 174.600 0.076 0.000 0.987 696 S CA 0.594 58.843 58.200 0.080 0.000 0.929 696 S CB 0.529 63.815 63.200 0.143 0.000 0.832 696 S HN 0.972 nan 8.310 nan 0.000 0.492 697 K N 0.678 121.117 120.400 0.066 0.000 3.069 697 K HA -0.125 4.194 4.320 -0.002 0.000 0.267 697 K C 1.048 177.685 176.600 0.061 0.000 1.082 697 K CA 1.242 57.562 56.287 0.055 0.000 0.782 697 K CB -2.943 29.583 32.500 0.043 0.000 1.230 697 K HN 1.573 nan 8.250 nan 0.000 0.488 698 G N -3.983 104.863 108.800 0.078 0.000 2.132 698 G HA2 0.182 4.141 3.960 -0.002 0.000 0.234 698 G HA3 0.182 4.141 3.960 -0.002 0.000 0.234 698 G C 0.965 175.916 174.900 0.084 0.000 0.989 698 G CA 1.495 46.639 45.100 0.074 0.000 0.676 698 G HN 2.180 nan 8.290 nan 0.000 0.522 699 K N -1.249 119.218 120.400 0.112 0.000 2.367 699 K HA 0.629 4.948 4.320 -0.002 0.000 0.194 699 K C 0.366 177.088 176.600 0.204 0.000 1.027 699 K CA 1.010 57.371 56.287 0.124 0.000 1.075 699 K CB 0.379 32.941 32.500 0.103 0.000 0.845 699 K HN 1.231 nan 8.250 nan 0.000 0.529 700 Y N 0.111 120.455 120.300 0.073 0.000 2.373 700 Y HA 0.592 5.141 4.550 -0.002 0.000 0.336 700 Y C -0.588 175.392 175.900 0.133 0.000 0.979 700 Y CA -2.036 56.124 58.100 0.100 0.000 1.080 700 Y CB 1.757 40.263 38.460 0.076 0.000 1.190 700 Y HN 0.126 nan 8.280 nan 0.000 0.446 701 A N 5.304 127.835 122.820 -0.481 0.000 2.325 701 A HA 0.626 4.945 4.320 -0.002 0.000 0.333 701 A C -2.316 174.929 177.584 -0.565 0.000 1.155 701 A CA -0.552 51.273 52.037 -0.352 0.000 0.814 701 A CB 0.684 19.608 19.000 -0.127 0.000 1.206 701 A HN 0.746 nan 8.150 nan 0.000 0.482 702 Y N 1.956 122.055 120.300 -0.335 0.000 2.376 702 Y HA 0.610 5.159 4.550 -0.002 0.000 0.340 702 Y C -1.101 174.802 175.900 0.004 0.000 0.965 702 Y CA -1.127 56.882 58.100 -0.152 0.000 1.078 702 Y CB 1.369 39.844 38.460 0.024 0.000 1.193 702 Y HN 0.564 nan 8.280 nan 0.000 0.452 703 L N 8.282 129.209 121.223 -0.493 0.000 2.264 703 L HA 0.631 4.970 4.340 -0.002 0.000 0.289 703 L C -0.549 175.980 176.870 -0.569 0.000 1.044 703 L CA -0.628 54.012 54.840 -0.332 0.000 0.807 703 L CB 0.798 42.853 42.059 -0.007 0.000 1.192 703 L HN 0.719 nan 8.230 nan 0.000 0.425 704 L N -0.775 120.255 121.223 -0.321 0.000 2.654 704 L HA 0.787 5.126 4.340 -0.002 0.000 0.257 704 L C -0.071 176.767 176.870 -0.053 0.000 1.093 704 L CA -1.096 53.630 54.840 -0.190 0.000 0.903 704 L CB 1.583 43.581 42.059 -0.101 0.000 1.520 704 L HN 0.477 nan 8.230 nan 0.000 0.402 705 E N 0.288 120.489 120.200 0.002 0.000 2.415 705 E HA 0.269 4.618 4.350 -0.002 0.000 0.263 705 E C 1.114 177.745 176.600 0.052 0.000 0.995 705 E CA 0.221 56.623 56.400 0.004 0.000 0.915 705 E CB 0.670 30.400 29.700 0.050 0.000 0.951 705 E HN 0.858 nan 8.360 nan 0.000 0.449 706 S N 1.433 117.137 115.700 0.006 0.000 2.374 706 S HA -0.278 4.191 4.470 -0.002 0.000 0.227 706 S C 2.166 176.836 174.600 0.117 0.000 1.037 706 S CA 2.290 60.511 58.200 0.036 0.000 1.024 706 S CB -1.082 62.102 63.200 -0.028 0.000 0.861 706 S HN 1.162 nan 8.310 nan 0.000 0.456 707 T N 0.162 114.804 114.554 0.146 0.000 2.635 707 T HA -0.169 4.180 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 1.718 64.003 62.100 0.309 0.000 1.156 707 T CB -0.683 68.458 68.868 0.455 0.000 0.863 707 T HN 0.340 nan 8.240 nan 0.000 0.430 708 M N 2.311 122.132 119.600 0.368 0.000 2.229 708 M HA 0.080 4.559 4.480 -0.002 0.000 0.264 708 M C 1.981 178.479 176.300 0.330 0.000 1.063 708 M CA 1.275 56.777 55.300 0.337 0.000 1.114 708 M CB -1.000 31.760 32.600 0.266 0.000 1.387 708 M HN 0.302 nan 8.290 nan 0.000 0.420 709 N N 0.439 119.300 118.700 0.268 0.000 2.058 709 N HA -0.175 4.564 4.740 -0.002 0.000 0.191 709 N C 1.459 177.111 175.510 0.236 0.000 1.037 709 N CA 2.049 55.234 53.050 0.225 0.000 0.848 709 N CB -0.261 38.322 38.487 0.160 0.000 1.021 709 N HN 0.550 nan 8.380 nan 0.000 0.422 710 E N -1.187 119.174 120.200 0.269 0.000 2.130 710 E HA -0.244 4.104 4.350 -0.002 0.000 0.196 710 E C 1.690 178.487 176.600 0.328 0.000 0.998 710 E CA 1.172 57.743 56.400 0.285 0.000 0.806 710 E CB -0.298 29.555 29.700 0.255 0.000 0.738 710 E HN 0.510 nan 8.360 nan 0.000 0.459 711 Y N 1.187 121.640 120.300 0.254 0.000 2.200 711 Y HA -0.190 4.359 4.550 -0.002 0.000 0.290 711 Y C 2.003 177.904 175.900 0.001 0.000 1.137 711 Y CA 1.126 59.215 58.100 -0.019 0.000 1.163 711 Y CB 0.015 38.337 38.460 -0.231 0.000 0.988 711 Y HN -0.039 nan 8.280 nan 0.000 0.518 712 I N 0.939 121.567 120.570 0.097 0.000 2.264 712 I HA -0.295 3.874 4.170 -0.002 0.000 0.248 712 I C 2.378 178.478 176.117 -0.028 0.000 1.111 712 I CA 1.843 63.153 61.300 0.018 0.000 1.382 712 I CB -1.388 36.692 38.000 0.134 0.000 1.060 712 I HN 0.436 nan 8.210 nan 0.000 0.418 713 E N 0.759 120.979 120.200 0.034 0.000 2.265 713 E HA -0.213 4.136 4.350 -0.002 0.000 0.196 713 E C 1.017 177.618 176.600 0.003 0.000 0.996 713 E CA 0.848 57.275 56.400 0.045 0.000 0.832 713 E CB 0.234 29.996 29.700 0.103 0.000 0.756 713 E HN 0.449 nan 8.360 nan 0.000 0.491 714 Q N 0.743 120.493 119.800 -0.082 0.000 2.211 714 Q HA 0.170 4.509 4.340 -0.002 0.000 0.231 714 Q C -0.513 175.359 176.000 -0.214 0.000 0.865 714 Q CA 0.104 55.839 55.803 -0.114 0.000 0.997 714 Q CB 0.637 29.299 28.738 -0.127 0.000 1.101 714 Q HN 0.052 nan 8.270 nan 0.000 0.468 715 R N 0.269 120.656 120.500 -0.187 0.000 2.686 715 R HA 0.510 4.848 4.340 -0.002 0.000 0.286 715 R C 0.166 176.422 176.300 -0.073 0.000 0.969 715 R CA -0.575 55.422 56.100 -0.172 0.000 0.898 715 R CB 0.476 30.640 30.300 -0.228 0.000 1.183 715 R HN 0.031 nan 8.270 nan 0.000 0.456 716 K N 2.027 122.398 120.400 -0.049 0.000 2.440 716 K HA 0.141 4.460 4.320 -0.002 0.000 0.270 716 K C -1.834 174.762 176.600 -0.007 0.000 0.980 716 K CA -0.507 55.768 56.287 -0.019 0.000 0.953 716 K CB -0.712 31.782 32.500 -0.011 0.000 0.925 716 K HN 0.389 nan 8.250 nan 0.000 0.497 717 P HA 0.231 nan 4.420 nan 0.000 0.249 717 P C -0.959 176.347 177.300 0.009 0.000 1.544 717 P CA -0.353 62.751 63.100 0.007 0.000 0.932 717 P CB -0.895 30.812 31.700 0.012 0.000 1.524 718 c N 0.683 119.286 118.600 0.005 0.000 4.209 718 c HA -0.106 4.462 4.570 -0.002 0.000 0.305 718 c C 0.896 175.000 174.090 0.023 0.000 1.339 718 c CA 0.840 57.176 56.329 0.012 0.000 2.062 718 c CB -2.846 39.672 42.510 0.013 0.000 1.307 718 c HN 0.536 nan 8.230 nan 0.000 0.706 719 D N -0.794 119.623 120.400 0.028 0.000 2.501 719 D HA 0.236 4.875 4.640 -0.002 0.000 0.224 719 D C 0.388 176.716 176.300 0.047 0.000 1.202 719 D CA 0.569 54.590 54.000 0.036 0.000 0.829 719 D CB 0.105 40.926 40.800 0.034 0.000 1.023 719 D HN 0.696 nan 8.370 nan 0.000 0.499 720 T N -1.478 113.106 114.554 0.051 0.000 2.900 720 T HA 0.720 5.069 4.350 -0.002 0.000 0.295 720 T C -0.143 174.598 174.700 0.067 0.000 1.044 720 T CA -1.007 61.132 62.100 0.065 0.000 0.995 720 T CB 2.176 71.092 68.868 0.080 0.000 1.072 720 T HN 0.235 nan 8.240 nan 0.000 0.473 721 M N -0.901 118.741 119.600 0.071 0.000 2.470 721 M HA 0.844 5.323 4.480 -0.002 0.000 0.285 721 M C -0.835 175.508 176.300 0.071 0.000 1.213 721 M CA -1.163 54.180 55.300 0.072 0.000 0.901 721 M CB 1.523 34.158 32.600 0.058 0.000 1.718 721 M HN 0.791 nan 8.290 nan 0.000 0.469 722 K N 1.581 122.028 120.400 0.078 0.000 2.205 722 K HA 0.750 5.069 4.320 -0.002 0.000 0.279 722 K C -0.528 176.099 176.600 0.046 0.000 1.027 722 K CA -0.291 56.035 56.287 0.066 0.000 0.932 722 K CB 0.758 33.305 32.500 0.078 0.000 1.032 722 K HN 1.090 nan 8.250 nan 0.000 0.466 723 V N -1.174 118.758 119.914 0.030 0.000 2.680 723 V HA 0.936 5.055 4.120 -0.002 0.000 0.309 723 V C 0.513 176.613 176.094 0.010 0.000 1.052 723 V CA -0.104 62.206 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 2.265 nan 8.190 nan 0.000 0.431 724 G N 2.424 111.228 108.800 0.006 0.000 2.888 724 G HA2 0.302 4.261 3.960 -0.002 0.000 0.441 724 G HA3 0.302 4.261 3.960 -0.002 0.000 0.441 724 G C 0.259 175.162 174.900 0.006 0.000 1.461 724 G CA -0.081 45.021 45.100 0.003 0.000 0.897 724 G HN 2.065 nan 8.290 nan 0.000 0.547 725 G N -0.268 108.535 108.800 0.004 0.000 2.580 725 G HA2 0.507 4.466 3.960 -0.002 0.000 0.278 725 G HA3 0.507 4.466 3.960 -0.002 0.000 0.278 725 G C 0.311 175.212 174.900 0.001 0.000 1.212 725 G CA -0.018 45.082 45.100 -0.001 0.000 0.939 725 G HN 0.897 nan 8.290 nan 0.000 0.513 726 N N -0.755 117.931 118.700 -0.023 0.000 2.415 726 N HA 0.070 4.809 4.740 -0.002 0.000 0.248 726 N C 1.478 176.977 175.510 -0.019 0.000 1.271 726 N CA -0.343 52.678 53.050 -0.049 0.000 0.913 726 N CB 1.173 39.596 38.487 -0.105 0.000 1.129 726 N HN 0.315 nan 8.380 nan 0.000 0.444 727 L N -0.546 120.644 121.223 -0.055 0.000 2.307 727 L HA 0.075 4.414 4.340 -0.002 0.000 0.211 727 L C 0.151 176.920 176.870 -0.169 0.000 1.099 727 L CA 0.618 55.471 54.840 0.021 0.000 0.816 727 L CB -0.308 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 -2.413 117.791 120.400 -0.326 0.000 2.626 728 D HA 0.229 4.868 4.640 -0.002 0.000 0.278 728 D C -0.923 175.213 176.300 -0.274 0.000 1.211 728 D CA -0.587 53.210 54.000 -0.338 0.000 0.903 728 D CB 1.366 41.796 40.800 -0.617 0.000 1.408 728 D HN -0.317 nan 8.370 nan 0.000 0.454 729 S N -0.475 115.087 115.700 -0.231 0.000 2.448 729 S HA 0.731 5.200 4.470 -0.002 0.000 0.320 729 S C 0.345 174.793 174.600 -0.252 0.000 1.071 729 S CA -0.609 57.463 58.200 -0.213 0.000 1.113 729 S CB 0.603 63.712 63.200 -0.153 0.000 0.972 729 S HN 0.781 nan 8.310 nan 0.000 0.465 730 K N 1.107 121.323 120.400 -0.306 0.000 2.270 730 K HA 0.986 5.305 4.320 -0.002 0.000 0.248 730 K C 0.213 176.573 176.600 -0.401 0.000 1.076 730 K CA -0.629 55.444 56.287 -0.356 0.000 0.957 730 K CB 0.432 32.683 32.500 -0.414 0.000 1.400 730 K HN 1.107 nan 8.250 nan 0.000 0.573 731 G N -0.723 107.768 108.800 -0.515 0.000 2.433 731 G HA2 0.462 4.421 3.960 -0.002 0.000 0.306 731 G HA3 0.462 4.421 3.960 -0.002 0.000 0.306 731 G C -1.666 172.888 174.900 -0.576 0.000 1.627 731 G CA -0.710 44.053 45.100 -0.562 0.000 0.893 731 G HN 0.520 nan 8.290 nan 0.000 0.648 732 Y N 0.274 120.285 120.300 -0.483 0.000 2.316 732 Y HA 0.773 5.322 4.550 -0.002 0.000 0.324 732 Y C 1.120 176.759 175.900 -0.436 0.000 1.267 732 Y CA 0.050 57.848 58.100 -0.504 0.000 1.311 732 Y CB 1.933 39.985 38.460 -0.679 0.000 1.267 732 Y HN 0.874 nan 8.280 nan 0.000 0.516 733 G N 0.703 109.672 108.800 0.281 0.000 2.677 733 G HA2 0.507 4.466 3.960 -0.002 0.000 0.291 733 G HA3 0.507 4.466 3.960 -0.002 0.000 0.291 733 G C -1.848 173.449 174.900 0.661 0.000 1.435 733 G CA -0.961 44.474 45.100 0.558 0.000 0.826 733 G HN 0.350 nan 8.290 nan 0.000 0.491 734 I N 1.505 122.343 120.570 0.447 0.000 2.396 734 I HA 0.418 4.587 4.170 -0.002 0.000 0.289 734 I C 0.918 177.059 176.117 0.040 0.000 1.056 734 I CA -0.580 60.828 61.300 0.179 0.000 1.365 734 I CB 0.595 38.628 38.000 0.056 0.000 1.407 734 I HN 0.555 nan 8.210 nan 0.000 0.509 735 A N 5.226 127.981 122.820 -0.109 0.000 2.301 735 A HA 0.612 4.930 4.320 -0.002 0.000 0.298 735 A C 0.217 177.623 177.584 -0.297 0.000 1.185 735 A CA -0.343 51.445 52.037 -0.416 0.000 0.830 735 A CB 0.822 19.487 19.000 -0.558 0.000 1.112 735 A HN 0.717 nan 8.150 nan 0.000 0.508 736 T N 3.271 117.636 114.554 -0.315 0.000 2.886 736 T HA 0.627 4.976 4.350 -0.002 0.000 0.292 736 T C -3.024 171.528 174.700 -0.248 0.000 1.012 736 T CA -1.779 60.181 62.100 -0.234 0.000 0.982 736 T CB 1.248 70.014 68.868 -0.169 0.000 1.018 736 T HN 0.334 nan 8.240 nan 0.000 0.451 737 P HA 0.196 nan 4.420 nan 0.000 0.263 737 P C -0.404 176.788 177.300 -0.180 0.000 1.175 737 P CA 0.185 63.156 63.100 -0.215 0.000 0.761 737 P CB 0.060 31.653 31.700 -0.178 0.000 0.794 738 K N 2.575 122.865 120.400 -0.182 0.000 2.491 738 K HA 0.341 4.660 4.320 -0.002 0.000 0.279 738 K C 1.223 177.763 176.600 -0.100 0.000 1.026 738 K CA 0.308 56.514 56.287 -0.135 0.000 1.070 738 K CB -1.464 30.960 32.500 -0.127 0.000 0.887 738 K HN 1.011 nan 8.250 nan 0.000 0.481 739 G N 1.103 109.856 108.800 -0.080 0.000 2.256 739 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.272 739 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.272 739 G C 0.311 175.171 174.900 -0.066 0.000 1.076 739 G CA 0.555 45.618 45.100 -0.062 0.000 0.882 739 G HN 1.579 nan 8.290 nan 0.000 0.497 740 S N -1.058 114.595 115.700 -0.078 0.000 2.672 740 S HA 0.720 5.189 4.470 -0.002 0.000 0.276 740 S C 1.904 176.464 174.600 -0.067 0.000 1.207 740 S CA 0.697 58.849 58.200 -0.081 0.000 1.002 740 S CB 1.193 64.328 63.200 -0.109 0.000 0.998 740 S HN 1.340 nan 8.310 nan 0.000 0.542 741 S N 2.578 118.238 115.700 -0.066 0.000 2.414 741 S HA 0.064 4.533 4.470 -0.002 0.000 0.227 741 S C 1.672 176.238 174.600 -0.057 0.000 1.022 741 S CA 0.413 58.582 58.200 -0.051 0.000 0.958 741 S CB -0.615 62.559 63.200 -0.042 0.000 0.797 741 S HN 0.676 nan 8.310 nan 0.000 0.493 742 L N 1.661 122.828 121.223 -0.093 0.000 2.552 742 L HA 0.160 4.499 4.340 -0.002 0.000 0.227 742 L C 2.628 179.460 176.870 -0.064 0.000 1.146 742 L CA 0.339 55.118 54.840 -0.102 0.000 0.858 742 L CB -1.161 40.777 42.059 -0.203 0.000 0.969 742 L HN 0.491 nan 8.230 nan 0.000 0.451 743 G N 0.675 109.438 108.800 -0.062 0.000 2.739 743 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.216 743 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.216 743 G C 1.464 176.353 174.900 -0.019 0.000 1.298 743 G CA 1.571 46.643 45.100 -0.048 0.000 0.804 743 G HN 0.244 nan 8.290 nan 0.000 0.623 744 T N 2.535 117.083 114.554 -0.009 0.000 2.665 744 T HA -0.093 4.256 4.350 -0.002 0.000 0.268 744 T C 0.305 175.016 174.700 0.019 0.000 1.035 744 T CA 1.899 64.002 62.100 0.006 0.000 1.151 744 T CB -1.072 67.800 68.868 0.007 0.000 0.862 744 T HN 0.259 nan 8.240 nan 0.000 0.438 745 P HA -0.055 nan 4.420 nan 0.000 0.214 745 P C 1.748 179.083 177.300 0.058 0.000 1.163 745 P CA 0.680 63.810 63.100 0.050 0.000 0.889 745 P CB -0.294 31.445 31.700 0.065 0.000 0.790 746 V N 0.041 119.986 119.914 0.051 0.000 2.332 746 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 746 V C 2.407 178.524 176.094 0.038 0.000 1.055 746 V CA 2.299 64.630 62.300 0.052 0.000 1.038 746 V CB -1.487 30.353 31.823 0.028 0.000 0.651 746 V HN 0.174 nan 8.190 nan 0.000 0.450 747 N N 0.593 119.312 118.700 0.033 0.000 2.036 747 N HA -0.194 4.545 4.740 -0.002 0.000 0.195 747 N C 1.652 177.181 175.510 0.033 0.000 1.037 747 N CA 2.013 55.087 53.050 0.039 0.000 0.855 747 N CB -0.408 38.099 38.487 0.032 0.000 1.033 747 N HN 0.460 nan 8.380 nan 0.000 0.423 748 L N -0.331 120.908 121.223 0.026 0.000 2.083 748 L HA -0.083 4.256 4.340 -0.002 0.000 0.209 748 L C 2.494 179.361 176.870 -0.005 0.000 1.083 748 L CA 1.164 56.014 54.840 0.017 0.000 0.752 748 L CB -0.707 41.366 42.059 0.024 0.000 0.899 748 L HN 0.234 nan 8.230 nan 0.000 0.433 749 A N -0.021 122.796 122.820 -0.005 0.000 1.908 749 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 749 A C 2.362 179.886 177.584 -0.099 0.000 1.181 749 A CA 1.928 53.924 52.037 -0.069 0.000 0.627 749 A CB -0.851 18.145 19.000 -0.006 0.000 0.818 749 A HN 0.195 nan 8.150 nan 0.000 0.445 750 V N 0.058 119.960 119.914 -0.021 0.000 2.343 750 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 750 V C 2.559 178.665 176.094 0.019 0.000 1.051 750 V CA 1.965 64.278 62.300 0.020 0.000 1.036 750 V CB -0.781 31.100 31.823 0.097 0.000 0.654 750 V HN 0.570 nan 8.190 nan 0.000 0.451 751 L N -0.276 120.955 121.223 0.013 0.000 2.083 751 L HA -0.209 4.130 4.340 -0.002 0.000 0.209 751 L C 2.593 179.454 176.870 -0.015 0.000 1.083 751 L CA 1.867 56.713 54.840 0.010 0.000 0.752 751 L CB -0.572 41.494 42.059 0.012 0.000 0.899 751 L HN 0.316 nan 8.230 nan 0.000 0.433 752 K N 0.580 120.947 120.400 -0.055 0.000 2.057 752 K HA -0.157 4.162 4.320 -0.002 0.000 0.206 752 K C 2.152 178.690 176.600 -0.104 0.000 1.050 752 K CA 1.157 57.392 56.287 -0.087 0.000 0.935 752 K CB -0.027 32.381 32.500 -0.153 0.000 0.715 752 K HN 0.220 nan 8.250 nan 0.000 0.439 753 L N 0.930 122.069 121.223 -0.140 0.000 2.046 753 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 753 L C 2.662 179.530 176.870 -0.003 0.000 1.077 753 L CA 1.575 56.360 54.840 -0.092 0.000 0.747 753 L CB -0.612 41.393 42.059 -0.090 0.000 0.896 753 L HN 0.357 nan 8.230 nan 0.000 0.432 754 S N -0.556 115.156 115.700 0.021 0.000 2.368 754 S HA -0.184 4.285 4.470 -0.002 0.000 0.224 754 S C 1.713 176.333 174.600 0.033 0.000 1.029 754 S CA 1.008 59.237 58.200 0.049 0.000 0.988 754 S CB -0.347 62.889 63.200 0.059 0.000 0.838 754 S HN 0.467 nan 8.310 nan 0.000 0.462 755 E N 1.215 121.425 120.200 0.017 0.000 2.150 755 E HA -0.079 4.270 4.350 -0.002 0.000 0.193 755 E C 2.065 178.677 176.600 0.019 0.000 0.985 755 E CA 0.954 57.363 56.400 0.016 0.000 0.814 755 E CB -0.185 29.521 29.700 0.010 0.000 0.752 755 E HN 0.700 nan 8.360 nan 0.000 0.466 756 Q N -0.373 119.438 119.800 0.018 0.000 2.444 756 Q HA 0.046 4.385 4.340 -0.002 0.000 0.206 756 Q C 0.950 176.972 176.000 0.037 0.000 0.948 756 Q CA 0.373 56.193 55.803 0.028 0.000 0.946 756 Q CB 0.547 29.303 28.738 0.030 0.000 1.027 756 Q HN 0.389 nan 8.270 nan 0.000 0.513 757 G N 1.326 110.150 108.800 0.040 0.000 2.180 757 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.263 757 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.263 757 G C 0.552 175.493 174.900 0.069 0.000 0.989 757 G CA 0.589 45.721 45.100 0.052 0.000 0.692 757 G HN 0.471 nan 8.290 nan 0.000 0.526 758 L N -0.537 120.724 121.223 0.063 0.000 2.109 758 L HA 0.174 4.513 4.340 -0.002 0.000 0.207 758 L C 2.869 179.799 176.870 0.101 0.000 1.086 758 L CA 1.452 56.334 54.840 0.071 0.000 0.760 758 L CB -0.173 41.916 42.059 0.050 0.000 0.910 758 L HN 0.426 nan 8.230 nan 0.000 0.437 759 L N -0.631 120.664 121.223 0.119 0.000 2.005 759 L HA -0.228 4.111 4.340 -0.002 0.000 0.207 759 L C 2.208 179.235 176.870 0.262 0.000 1.072 759 L CA 1.291 56.257 54.840 0.210 0.000 0.744 759 L CB -0.807 41.394 42.059 0.235 0.000 0.895 759 L HN 0.265 nan 8.230 nan 0.000 0.433 760 D N 0.094 120.599 120.400 0.175 0.000 2.149 760 D HA -0.215 4.424 4.640 -0.002 0.000 0.198 760 D C 2.059 178.468 176.300 0.182 0.000 0.990 760 D CA 1.161 55.251 54.000 0.151 0.000 0.839 760 D CB -0.107 40.749 40.800 0.094 0.000 0.948 760 D HN 0.240 nan 8.370 nan 0.000 0.460 761 K N 0.571 121.068 120.400 0.163 0.000 2.026 761 K HA -0.101 4.218 4.320 -0.002 0.000 0.208 761 K C 2.256 178.990 176.600 0.223 0.000 1.048 761 K CA 0.709 57.089 56.287 0.156 0.000 0.929 761 K CB -0.196 32.371 32.500 0.111 0.000 0.713 761 K HN 0.106 nan 8.250 nan 0.000 0.439 762 L N 1.099 122.488 121.223 0.277 0.000 2.042 762 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 762 L C 2.790 180.094 176.870 0.723 0.000 1.076 762 L CA 1.585 56.675 54.840 0.416 0.000 0.749 762 L CB -0.452 41.737 42.059 0.218 0.000 0.893 762 L HN 0.300 nan 8.230 nan 0.000 0.432 763 K N 0.219 121.027 120.400 0.681 0.000 2.026 763 K HA -0.204 4.115 4.320 -0.002 0.000 0.208 763 K C 1.896 178.816 176.600 0.533 0.000 1.048 763 K CA 1.769 58.367 56.287 0.517 0.000 0.929 763 K CB -0.008 32.486 32.500 -0.010 0.000 0.713 763 K HN 0.247 nan 8.250 nan 0.000 0.439 764 N N 1.227 120.165 118.700 0.396 0.000 2.205 764 N HA -0.191 4.548 4.740 -0.002 0.000 0.186 764 N C 1.505 177.210 175.510 0.325 0.000 1.015 764 N CA 1.123 54.421 53.050 0.414 0.000 0.862 764 N CB -0.140 38.516 38.487 0.281 0.000 0.986 764 N HN 0.316 nan 8.380 nan 0.000 0.429 765 K N -0.633 119.912 120.400 0.241 0.000 2.097 765 K HA -0.101 4.217 4.320 -0.002 0.000 0.205 765 K C 1.181 177.704 176.600 -0.128 0.000 1.050 765 K CA 1.054 57.325 56.287 -0.026 0.000 0.938 765 K CB -0.064 32.316 32.500 -0.200 0.000 0.718 765 K HN 0.205 nan 8.250 nan 0.000 0.442 766 W N -1.132 120.337 121.300 0.282 0.000 2.907 766 W HA 0.147 4.806 4.660 -0.002 0.000 0.271 766 W C 1.857 178.390 176.519 0.023 0.000 1.253 766 W CA -0.723 56.700 57.345 0.130 0.000 1.501 766 W CB 0.068 29.565 29.460 0.062 0.000 1.047 766 W HN 0.111 nan 8.180 nan 0.000 0.610 767 W N -1.488 119.887 121.300 0.125 0.000 2.633 767 W HA -0.036 4.623 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 1.094 58.345 57.345 -0.157 0.000 1.490 767 W CB -0.808 28.351 29.460 -0.503 0.000 1.127 767 W HN -0.095 nan 8.180 nan 0.000 0.538 768 Y N 0.212 120.706 120.300 0.323 0.000 2.422 768 Y HA -0.013 4.536 4.550 -0.002 0.000 0.291 768 Y C 2.146 178.102 175.900 0.094 0.000 1.144 768 Y CA 0.562 58.765 58.100 0.171 0.000 1.208 768 Y CB -1.081 37.466 38.460 0.145 0.000 1.195 768 Y HN -0.250 nan 8.280 nan 0.000 0.535 769 D N 0.603 121.143 120.400 0.232 0.000 2.084 769 D HA -0.151 4.488 4.640 -0.002 0.000 0.194 769 D C 1.760 178.081 176.300 0.035 0.000 0.990 769 D CA 1.481 55.541 54.000 0.100 0.000 0.826 769 D CB -0.164 40.664 40.800 0.047 0.000 0.971 769 D HN 0.020 nan 8.370 nan 0.000 0.453 770 K N 0.525 120.927 120.400 0.005 0.000 2.525 770 K HA 0.143 4.462 4.320 -0.002 0.000 0.192 770 K C 0.764 177.369 176.600 0.009 0.000 1.029 770 K CA -0.075 56.196 56.287 -0.026 0.000 1.029 770 K CB -0.101 32.358 32.500 -0.069 0.000 0.814 770 K HN 0.088 nan 8.250 nan 0.000 0.503 771 G N 0.207 109.022 108.800 0.025 0.000 2.636 771 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.246 771 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.246 771 G C -0.187 174.707 174.900 -0.009 0.000 1.216 771 G CA -0.381 44.711 45.100 -0.014 0.000 0.854 771 G HN 0.381 nan 8.290 nan 0.000 0.572 772 E N -1.245 118.932 120.200 -0.038 0.000 2.498 772 E HA 0.132 4.481 4.350 -0.002 0.000 0.203 772 E C -0.377 176.220 176.600 -0.005 0.000 1.013 772 E CA -0.054 56.334 56.400 -0.021 0.000 0.927 772 E CB 0.666 30.344 29.700 -0.037 0.000 1.012 772 E HN 0.255 nan 8.360 nan 0.000 0.482 773 c N 0.642 119.247 118.600 0.008 0.000 2.814 773 c HA 0.472 5.041 4.570 -0.002 0.000 0.269 773 c C 1.143 175.268 174.090 0.058 0.000 1.090 773 c CA -0.893 55.451 56.329 0.025 0.000 1.492 773 c CB 0.346 42.866 42.510 0.016 0.000 1.825 773 c HN 0.464 nan 8.230 nan 0.000 0.442 774 G N 0.311 109.141 108.800 0.049 0.000 3.228 774 G HA2 0.376 4.335 3.960 -0.002 0.000 0.245 774 G HA3 0.376 4.335 3.960 -0.002 0.000 0.245 774 G C 1.119 176.039 174.900 0.034 0.000 1.051 774 G CA 0.883 46.015 45.100 0.053 0.000 0.809 774 G HN 0.699 nan 8.290 nan 0.000 0.531 775 A N 0.890 123.726 122.820 0.028 0.000 1.901 775 A HA 0.432 4.751 4.320 -0.002 0.000 0.210 775 A C 2.369 179.965 177.584 0.021 0.000 1.208 775 A CA 1.873 53.922 52.037 0.020 0.000 0.644 775 A CB -0.428 18.581 19.000 0.016 0.000 0.863 775 A HN 0.386 nan 8.150 nan 0.000 0.454 776 K N -0.613 119.802 120.400 0.024 0.000 2.439 776 K HA 0.154 4.473 4.320 -0.002 0.000 0.197 776 K C 1.409 178.028 176.600 0.031 0.000 1.041 776 K CA 1.756 58.058 56.287 0.025 0.000 0.970 776 K CB -1.638 30.878 32.500 0.026 0.000 0.773 776 K HN 0.739 nan 8.250 nan 0.000 0.479 777 D N -0.809 119.613 120.400 0.036 0.000 2.301 777 D HA 0.254 4.893 4.640 -0.002 0.000 0.206 777 D C 2.350 178.665 176.300 0.025 0.000 0.979 777 D CA 1.215 55.239 54.000 0.041 0.000 0.874 777 D CB -0.362 40.475 40.800 0.062 0.000 0.968 777 D HN 0.610 nan 8.370 nan 0.000 0.510 778 S N 0.014 115.726 115.700 0.020 0.000 2.461 778 S HA 0.357 4.826 4.470 -0.002 0.000 0.228 778 S C 2.310 176.916 174.600 0.010 0.000 1.005 778 S CA 1.499 59.706 58.200 0.011 0.000 0.942 778 S CB -0.240 62.965 63.200 0.009 0.000 0.776 778 S HN 0.539 nan 8.310 nan 0.000 0.514 779 G N 0.065 108.873 108.800 0.013 0.000 2.603 779 G HA2 0.364 4.322 3.960 -0.002 0.000 0.214 779 G HA3 0.364 4.322 3.960 -0.002 0.000 0.214 779 G C 1.443 176.351 174.900 0.014 0.000 1.140 779 G CA 1.126 46.233 45.100 0.012 0.000 0.800 779 G HN 0.681 nan 8.290 nan 0.000 0.533 780 S N 0.137 115.848 115.700 0.017 0.000 2.603 780 S HA 0.397 4.866 4.470 -0.002 0.000 0.220 780 S C 1.808 176.416 174.600 0.014 0.000 0.967 780 S CA 1.118 59.329 58.200 0.019 0.000 0.920 780 S CB -0.325 62.891 63.200 0.027 0.000 0.773 780 S HN 0.494 nan 8.310 nan 0.000 0.529 781 K N 0.867 121.273 120.400 0.010 0.000 2.743 781 K HA 0.540 4.858 4.320 -0.002 0.000 0.219 781 K C 0.493 177.095 176.600 0.004 0.000 1.003 781 K CA 1.192 57.481 56.287 0.004 0.000 1.156 781 K CB -2.166 30.334 32.500 -0.000 0.000 0.932 781 K HN 1.701 nan 8.250 nan 0.000 0.490 782 E N -2.286 117.918 120.200 0.007 0.000 3.783 782 E HA 0.080 4.429 4.350 -0.002 0.000 0.154 782 E C 0.507 177.110 176.600 0.005 0.000 1.748 782 E CA 1.384 57.788 56.400 0.006 0.000 0.854 782 E CB -2.803 26.900 29.700 0.005 0.000 1.075 782 E HN 1.598 nan 8.360 nan 0.000 0.360 783 K N -1.070 119.334 120.400 0.006 0.000 2.438 783 K HA 0.740 5.059 4.320 -0.002 0.000 0.206 783 K C 1.253 177.857 176.600 0.006 0.000 1.081 783 K CA 1.717 58.007 56.287 0.005 0.000 1.053 783 K CB 0.515 33.018 32.500 0.004 0.000 0.908 783 K HN 2.188 nan 8.250 nan 0.000 0.556 784 T N -1.097 113.462 114.554 0.008 0.000 2.890 784 T HA 0.679 5.028 4.350 -0.002 0.000 0.295 784 T C 0.751 175.458 174.700 0.011 0.000 0.993 784 T CA 0.499 62.605 62.100 0.010 0.000 0.979 784 T CB 0.962 69.837 68.868 0.012 0.000 0.967 784 T HN 0.495 nan 8.240 nan 0.000 0.441 785 S N 0.778 116.485 115.700 0.012 0.000 3.640 785 S HA 0.790 5.259 4.470 -0.002 0.000 0.246 785 S C 1.465 176.075 174.600 0.015 0.000 1.133 785 S CA 1.092 59.300 58.200 0.012 0.000 0.882 785 S CB -0.474 62.731 63.200 0.010 0.000 1.015 785 S HN 1.392 nan 8.310 nan 0.000 0.469 786 A N 0.858 123.687 122.820 0.015 0.000 2.495 786 A HA 0.716 5.035 4.320 -0.002 0.000 0.260 786 A C 0.264 177.863 177.584 0.024 0.000 1.608 786 A CA -0.120 51.928 52.037 0.019 0.000 0.834 786 A CB -0.609 18.402 19.000 0.017 0.000 1.526 786 A HN 1.020 nan 8.150 nan 0.000 0.578 787 L N -0.255 120.985 121.223 0.029 0.000 2.417 787 L HA 0.453 4.792 4.340 -0.002 0.000 0.268 787 L C 0.730 177.620 176.870 0.034 0.000 1.158 787 L CA 0.568 55.430 54.840 0.037 0.000 0.819 787 L CB 0.996 43.083 42.059 0.047 0.000 1.112 787 L HN 0.658 nan 8.230 nan 0.000 0.458 788 S N 2.545 118.269 115.700 0.039 0.000 2.669 788 S HA 0.281 4.750 4.470 -0.002 0.000 0.270 788 S C 0.603 175.223 174.600 0.034 0.000 1.225 788 S CA -0.357 57.862 58.200 0.031 0.000 0.991 788 S CB 0.855 64.074 63.200 0.032 0.000 0.987 788 S HN 0.738 nan 8.310 nan 0.000 0.552 789 L N 2.883 124.116 121.223 0.018 0.000 2.463 789 L HA 0.197 4.536 4.340 -0.002 0.000 0.219 789 L C 2.293 179.176 176.870 0.021 0.000 1.088 789 L CA 1.807 56.651 54.840 0.007 0.000 0.849 789 L CB -0.951 41.086 42.059 -0.036 0.000 1.012 789 L HN 0.867 nan 8.230 nan 0.000 0.468 790 S N 0.286 116.000 115.700 0.023 0.000 2.389 790 S HA -0.332 4.137 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 1.866 60.081 58.200 0.025 0.000 1.117 790 S CB -1.263 61.950 63.200 0.021 0.000 1.020 790 S HN 0.624 nan 8.310 nan 0.000 0.430 791 N N 1.773 120.510 118.700 0.062 0.000 2.069 791 N HA -0.096 4.643 4.740 -0.002 0.000 0.191 791 N C 1.697 177.241 175.510 0.057 0.000 1.031 791 N CA 1.927 55.030 53.050 0.088 0.000 0.852 791 N CB -1.020 37.561 38.487 0.156 0.000 1.018 791 N HN 0.398 nan 8.380 nan 0.000 0.423 792 V N 1.058 121.032 119.914 0.100 0.000 2.490 792 V HA -0.154 3.965 4.120 -0.002 0.000 0.250 792 V C 2.493 178.731 176.094 0.241 0.000 1.061 792 V CA 1.634 64.027 62.300 0.155 0.000 1.064 792 V CB -1.228 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 0.933 123.846 122.820 0.154 0.000 1.902 793 A HA -0.090 4.229 4.320 -0.002 0.000 0.217 793 A C 2.455 180.211 177.584 0.286 0.000 1.181 793 A CA 1.841 53.992 52.037 0.189 0.000 0.623 793 A CB -1.226 17.859 19.000 0.143 0.000 0.818 793 A HN 0.525 nan 8.150 nan 0.000 0.443 794 G N -0.671 108.180 108.800 0.085 0.000 2.462 794 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.220 794 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.220 794 G C 1.335 176.140 174.900 -0.157 0.000 1.121 794 G CA 1.336 46.401 45.100 -0.058 0.000 0.758 794 G HN 0.389 nan 8.290 nan 0.000 0.559 795 V N -0.365 119.414 119.914 -0.224 0.000 3.129 795 V HA 0.105 4.224 4.120 -0.002 0.000 0.259 795 V C 2.203 178.185 176.094 -0.187 0.000 1.116 795 V CA 0.673 62.797 62.300 -0.294 0.000 1.127 795 V CB -0.485 31.142 31.823 -0.328 0.000 0.742 795 V HN 0.288 nan 8.190 nan 0.000 0.474 796 F N -0.691 119.178 119.950 -0.134 0.000 2.234 796 F HA -0.029 4.497 4.527 -0.002 0.000 0.296 796 F C 2.196 177.872 175.800 -0.207 0.000 1.089 796 F CA 1.465 59.355 58.000 -0.184 0.000 1.343 796 F CB -0.452 38.390 39.000 -0.263 0.000 1.040 796 F HN 0.113 nan 8.300 nan 0.000 0.498 797 Y N -0.631 119.703 120.300 0.056 0.000 2.242 797 Y HA -0.192 4.357 4.550 -0.002 0.000 0.291 797 Y C 2.452 178.322 175.900 -0.050 0.000 1.137 797 Y CA 1.247 59.343 58.100 -0.007 0.000 1.181 797 Y CB -0.524 37.911 38.460 -0.041 0.000 0.989 797 Y HN 0.035 nan 8.280 nan 0.000 0.527 798 I N -0.587 120.014 120.570 0.052 0.000 2.676 798 I HA -0.218 3.951 4.170 -0.002 0.000 0.259 798 I C 2.004 178.092 176.117 -0.049 0.000 1.194 798 I CA 0.723 62.006 61.300 -0.029 0.000 1.473 798 I CB 0.051 37.992 38.000 -0.098 0.000 1.096 798 I HN 0.256 nan 8.210 nan 0.000 0.443 799 L N 0.132 121.311 121.223 -0.073 0.000 2.007 799 L HA -0.082 4.257 4.340 -0.002 0.000 0.205 799 L C 2.296 179.137 176.870 -0.048 0.000 1.073 799 L CA 1.798 56.584 54.840 -0.090 0.000 0.744 799 L CB -0.702 41.257 42.059 -0.166 0.000 0.898 799 L HN 0.012 nan 8.230 nan 0.000 0.435 800 V N 0.613 120.507 119.914 -0.033 0.000 2.469 800 V HA -0.223 3.896 4.120 -0.002 0.000 0.251 800 V C 2.621 178.716 176.094 0.001 0.000 1.064 800 V CA 1.732 64.023 62.300 -0.015 0.000 1.066 800 V CB -1.750 30.059 31.823 -0.022 0.000 0.667 800 V HN 0.663 nan 8.190 nan 0.000 0.461 801 G N 0.052 108.859 108.800 0.010 0.000 2.422 801 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.218 801 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.218 801 G C 1.594 176.494 174.900 -0.000 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 0.746 109.540 108.800 -0.011 0.000 2.403 802 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.216 802 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.216 802 G C 1.789 176.688 174.900 -0.002 0.000 1.154 802 G CA 0.568 45.661 45.100 -0.011 0.000 0.784 802 G HN 0.417 nan 8.290 nan 0.000 0.538 803 L N 0.754 121.975 121.223 -0.004 0.000 2.046 803 L HA 0.022 4.361 4.340 -0.002 0.000 0.208 803 L C 3.156 180.033 176.870 0.011 0.000 1.077 803 L CA 1.074 55.916 54.840 0.003 0.000 0.747 803 L CB -0.672 41.387 42.059 -0.001 0.000 0.896 803 L HN 0.313 nan 8.230 nan 0.000 0.432 804 G N 0.140 108.946 108.800 0.010 0.000 2.418 804 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.217 804 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.217 804 G C 1.579 176.489 174.900 0.017 0.000 1.158 804 G CA 0.618 45.727 45.100 0.014 0.000 0.771 804 G HN 0.213 nan 8.290 nan 0.000 0.545 805 L N 1.356 122.588 121.223 0.014 0.000 2.083 805 L HA 0.145 4.483 4.340 -0.002 0.000 0.209 805 L C 2.959 179.843 176.870 0.024 0.000 1.083 805 L CA 2.109 56.959 54.840 0.016 0.000 0.752 805 L CB -0.627 41.438 42.059 0.010 0.000 0.899 805 L HN 0.224 nan 8.230 nan 0.000 0.433 806 A N -1.068 121.767 122.820 0.025 0.000 1.897 806 A HA -0.139 4.180 4.320 -0.002 0.000 0.215 806 A C 2.136 179.748 177.584 0.046 0.000 1.181 806 A CA 1.696 53.753 52.037 0.034 0.000 0.620 806 A CB -0.478 18.541 19.000 0.031 0.000 0.821 806 A HN 0.441 nan 8.150 nan 0.000 0.443 807 M N -0.911 118.713 119.600 0.041 0.000 2.358 807 M HA -0.068 4.411 4.480 -0.002 0.000 0.264 807 M C 1.957 178.288 176.300 0.052 0.000 1.064 807 M CA 1.013 56.341 55.300 0.048 0.000 1.093 807 M CB -1.135 31.484 32.600 0.031 0.000 1.401 807 M HN 0.461 nan 8.290 nan 0.000 0.440 808 L N -0.391 120.857 121.223 0.043 0.000 2.168 808 L HA 0.025 4.364 4.340 -0.002 0.000 0.203 808 L C 2.162 179.064 176.870 0.053 0.000 1.078 808 L CA 1.102 55.967 54.840 0.041 0.000 0.780 808 L CB -0.488 41.589 42.059 0.030 0.000 0.939 808 L HN -0.014 nan 8.230 nan 0.000 0.451 809 V N 0.178 120.124 119.914 0.054 0.000 2.626 809 V HA -0.188 3.930 4.120 -0.002 0.000 0.252 809 V C 2.722 178.856 176.094 0.067 0.000 1.067 809 V CA 1.307 63.642 62.300 0.058 0.000 1.081 809 V CB -1.239 30.610 31.823 0.044 0.000 0.686 809 V HN 0.547 nan 8.190 nan 0.000 0.468 810 A N 0.141 123.016 122.820 0.092 0.000 1.855 810 A HA -0.116 4.203 4.320 -0.002 0.000 0.215 810 A C 2.201 179.947 177.584 0.270 0.000 1.191 810 A CA 1.593 53.725 52.037 0.158 0.000 0.613 810 A CB -0.515 18.619 19.000 0.223 0.000 0.829 810 A HN 0.466 nan 8.150 nan 0.000 0.442 811 L N 0.201 121.549 121.223 0.208 0.000 2.012 811 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 811 L C 2.677 179.616 176.870 0.115 0.000 1.073 811 L CA 1.891 56.840 54.840 0.183 0.000 0.748 811 L CB -0.805 41.296 42.059 0.071 0.000 0.891 811 L HN 0.692 nan 8.230 nan 0.000 0.431 812 I N -2.451 118.141 120.570 0.037 0.000 2.286 812 I HA -0.226 3.943 4.170 -0.002 0.000 0.248 812 I C 2.119 178.195 176.117 -0.068 0.000 1.115 812 I CA 1.436 62.679 61.300 -0.094 0.000 1.392 812 I CB -0.524 37.482 38.000 0.010 0.000 1.065 812 I HN 0.267 nan 8.210 nan 0.000 0.418 813 E N 1.170 121.403 120.200 0.056 0.000 2.051 813 E HA -0.173 4.176 4.350 -0.002 0.000 0.192 813 E C 2.051 178.604 176.600 -0.077 0.000 0.991 813 E CA 1.616 58.024 56.400 0.013 0.000 0.799 813 E CB -0.293 29.297 29.700 -0.182 0.000 0.748 813 E HN 0.575 nan 8.360 nan 0.000 0.449 814 F N 0.236 120.197 119.950 0.018 0.000 2.293 814 F HA -0.190 4.336 4.527 -0.002 0.000 0.300 814 F C 2.404 178.185 175.800 -0.030 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 -0.009 0.000 1.045 814 F HN 0.133 nan 8.300 nan 0.000 0.516 815 C N -1.112 118.218 119.300 0.049 0.000 2.476 815 C HA -0.161 4.298 4.460 -0.002 0.000 0.278 815 C C 2.569 177.500 174.990 -0.098 0.000 1.274 815 C CA 0.571 59.533 59.018 -0.093 0.000 1.713 815 C CB -1.225 26.357 27.740 -0.263 0.000 2.039 815 C HN 0.456 nan 8.230 nan 0.000 0.484 816 Y N 1.755 122.073 120.300 0.030 0.000 2.224 816 Y HA -0.046 4.503 4.550 -0.002 0.000 0.289 816 Y C 1.980 177.886 175.900 0.010 0.000 1.146 816 Y CA 1.314 59.420 58.100 0.011 0.000 1.182 816 Y CB -0.649 37.807 38.460 -0.007 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 0.152 0.000 2.780 817 K HA 0.000 4.319 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 0.057 0.000 1.064 817 K HN 0.000 nan 8.250 nan 0.000 0.543