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 2g50_1_D DATA FIRST_RESID 10 DATA SEQUENCE AFIQTQQLHA AMADTFLEHK CRLDIDSAPI TARNTGIICT IGPASRSVET DATA SEQUENCE LKEMIKSGMN VARMNFSHGT HEYHAETIKN VRTATESFAS DPILYRPVAV DATA SEQUENCE ALDTKGPEIR TGLIKGSGTA EVELKKGATL KITLDNAYME KCDENILWLD DATA SEQUENCE YKNICKVVDV GSKVYVDDGL ISLQVKQKGP DFLVTEVENG GFLGSKKGVN DATA SEQUENCE LPGAAVDLPA VSEKDIQDLK FGVEQDVDMV FASFIRKAAD VHEVRKILGE DATA SEQUENCE KGKNIKIISK IENHEGVRRF DEILEASDGI MVARGDLGIE IPAEKVFLAQ DATA SEQUENCE KMIIGRCNRA GKPVICATQM LESMIKKPRP TRAEGSDVAN AVLDGADCIM DATA SEQUENCE LSGETAKGDY PLEAVRMQHL IAREAEAAMF HRKLFEELAR ASSQSTDLME DATA SEQUENCE AMAMGSVEAS YKCLAAALIV LTESGRSAHQ VARYRPRAPI IAVTRNHQTA DATA SEQUENCE RQAHLYRGIF PVVCKDPVQE AWAEDVDLRV NLAMNVGKAR GFFKKGDVVI DATA SEQUENCE VLTGWRPGSG FTNTMRVVPV P 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 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.659 177.584 0.125 0.000 1.274 10 A CA 0.000 52.069 52.037 0.053 0.000 0.836 10 A CB 0.000 19.016 19.000 0.027 0.000 0.831 11 F N 1.246 121.171 119.950 -0.041 0.000 2.467 11 F HA 0.745 5.278 4.527 0.011 0.000 0.336 11 F C -0.738 175.035 175.800 -0.045 0.000 1.123 11 F CA -1.234 56.746 58.000 -0.033 0.000 0.964 11 F CB 1.095 40.081 39.000 -0.023 0.000 1.136 11 F HN 0.397 nan 8.300 nan 0.000 0.447 12 I N 6.641 126.809 120.570 -0.670 0.000 2.322 12 I HA 0.140 4.317 4.170 0.011 0.000 0.292 12 I C 0.034 175.498 176.117 -1.088 0.000 1.060 12 I CA -0.307 60.604 61.300 -0.648 0.000 1.309 12 I CB 0.641 38.431 38.000 -0.350 0.000 1.415 12 I HN 0.543 nan 8.210 nan 0.000 0.492 13 Q N 4.507 123.847 119.800 -0.767 0.000 2.361 13 Q HA 0.096 4.443 4.340 0.011 0.000 0.276 13 Q C 0.659 176.489 176.000 -0.284 0.000 1.022 13 Q CA -0.120 55.370 55.803 -0.521 0.000 0.898 13 Q CB 0.567 29.235 28.738 -0.117 0.000 1.246 13 Q HN 0.701 nan 8.270 nan 0.000 0.410 14 T N -0.537 113.941 114.554 -0.126 0.000 2.734 14 T HA -0.053 4.303 4.350 0.011 0.000 0.314 14 T C 0.529 175.224 174.700 -0.008 0.000 1.057 14 T CA -0.442 61.638 62.100 -0.033 0.000 1.047 14 T CB 0.734 69.632 68.868 0.050 0.000 0.991 14 T HN 0.816 nan 8.240 nan 0.000 0.540 15 Q N 0.353 120.155 119.800 0.003 0.000 2.475 15 Q HA -0.252 4.095 4.340 0.011 0.000 0.280 15 Q C -0.261 175.760 176.000 0.035 0.000 1.234 15 Q CA 0.673 56.490 55.803 0.024 0.000 0.873 15 Q CB -1.264 27.493 28.738 0.031 0.000 1.256 15 Q HN 0.814 nan 8.270 nan 0.000 0.475 16 Q N -2.255 117.549 119.800 0.006 0.000 2.435 16 Q HA -0.251 4.096 4.340 0.011 0.000 0.286 16 Q C 0.534 176.553 176.000 0.032 0.000 1.229 16 Q CA 1.533 57.336 55.803 -0.001 0.000 0.884 16 Q CB -1.821 26.915 28.738 -0.003 0.000 1.245 16 Q HN 0.716 nan 8.270 nan 0.000 0.488 17 L N -1.262 119.985 121.223 0.039 0.000 2.291 17 L HA -0.147 4.200 4.340 0.011 0.000 0.214 17 L C 2.248 179.172 176.870 0.089 0.000 1.120 17 L CA 1.237 56.117 54.840 0.065 0.000 0.799 17 L CB -0.311 41.786 42.059 0.063 0.000 0.925 17 L HN 0.348 nan 8.230 nan 0.000 0.446 18 H N 0.419 119.467 119.070 -0.036 0.000 2.326 18 H HA -0.106 4.460 4.556 0.017 0.000 0.301 18 H C 2.145 177.445 175.328 -0.047 0.000 1.081 18 H CA 1.491 57.514 56.048 -0.042 0.000 1.334 18 H CB 0.073 29.790 29.762 -0.075 0.000 1.385 18 H HN 0.229 nan 8.280 nan 0.000 0.504 19 A N 0.929 123.640 122.820 -0.182 0.000 1.978 19 A HA -0.075 4.252 4.320 0.011 0.000 0.220 19 A C 2.621 180.181 177.584 -0.041 0.000 1.170 19 A CA 1.679 53.528 52.037 -0.313 0.000 0.636 19 A CB -1.318 17.373 19.000 -0.514 0.000 0.810 19 A HN 0.621 nan 8.150 nan 0.000 0.448 20 A N -1.037 121.838 122.820 0.090 0.000 1.978 20 A HA -0.129 4.197 4.320 0.011 0.000 0.220 20 A C 1.928 179.634 177.584 0.205 0.000 1.170 20 A CA 1.870 54.037 52.037 0.216 0.000 0.636 20 A CB -0.396 18.694 19.000 0.150 0.000 0.810 20 A HN 0.432 nan 8.150 nan 0.000 0.448 21 M N -0.395 119.255 119.600 0.084 0.000 2.495 21 M HA 0.261 4.748 4.480 0.011 0.000 0.237 21 M C 1.021 177.365 176.300 0.073 0.000 1.131 21 M CA -0.069 55.279 55.300 0.080 0.000 1.032 21 M CB -1.424 31.206 32.600 0.050 0.000 1.513 21 M HN 0.388 nan 8.290 nan 0.000 0.488 22 A N 0.962 123.808 122.820 0.043 0.000 2.466 22 A HA 0.055 4.382 4.320 0.011 0.000 0.238 22 A C 0.908 178.627 177.584 0.226 0.000 1.074 22 A CA 0.110 52.158 52.037 0.018 0.000 0.774 22 A CB 0.318 19.226 19.000 -0.154 0.000 1.015 22 A HN 0.318 nan 8.150 nan 0.000 0.498 23 D N -0.476 120.018 120.400 0.157 0.000 2.271 23 D HA 0.038 4.685 4.640 0.011 0.000 0.206 23 D C 0.922 177.373 176.300 0.251 0.000 0.967 23 D CA 1.848 55.957 54.000 0.183 0.000 0.867 23 D CB 0.138 40.996 40.800 0.097 0.000 0.960 23 D HN 0.762 nan 8.370 nan 0.000 0.509 24 T N -3.073 111.625 114.554 0.241 0.000 2.916 24 T HA 0.251 4.608 4.350 0.011 0.000 0.292 24 T C 0.651 175.560 174.700 0.348 0.000 1.064 24 T CA -0.842 61.422 62.100 0.274 0.000 1.011 24 T CB 1.556 70.510 68.868 0.145 0.000 1.152 24 T HN -0.197 nan 8.240 nan 0.000 0.510 25 F N 1.065 121.166 119.950 0.251 0.000 2.171 25 F HA 0.060 4.586 4.527 -0.001 0.000 0.300 25 F C 1.821 177.644 175.800 0.039 0.000 1.090 25 F CA 0.938 59.042 58.000 0.174 0.000 1.293 25 F CB -0.693 38.418 39.000 0.185 0.000 1.013 25 F HN 0.544 nan 8.300 nan 0.000 0.486 26 L N 0.860 122.034 121.223 -0.081 0.000 2.012 26 L HA -0.209 4.138 4.340 0.011 0.000 0.210 26 L C 2.380 179.117 176.870 -0.222 0.000 1.073 26 L CA 2.436 57.150 54.840 -0.210 0.000 0.748 26 L CB -1.246 40.769 42.059 -0.072 0.000 0.891 26 L HN 0.346 nan 8.230 nan 0.000 0.431 27 E N -1.614 118.507 120.200 -0.132 0.000 2.085 27 E HA -0.356 4.001 4.350 0.011 0.000 0.194 27 E C 2.238 178.687 176.600 -0.252 0.000 0.994 27 E CA 1.495 57.806 56.400 -0.149 0.000 0.801 27 E CB -0.237 29.415 29.700 -0.080 0.000 0.743 27 E HN 0.752 nan 8.360 nan 0.000 0.453 28 H N 0.540 119.345 119.070 -0.441 0.000 2.319 28 H HA -0.088 4.477 4.556 0.015 0.000 0.299 28 H C 1.883 176.933 175.328 -0.463 0.000 1.092 28 H CA 2.294 57.978 56.048 -0.606 0.000 1.302 28 H CB 0.150 29.266 29.762 -1.076 0.000 1.373 28 H HN 0.025 nan 8.280 nan 0.000 0.497 29 K N -0.550 119.532 120.400 -0.529 0.000 2.032 29 K HA -0.153 4.174 4.320 0.011 0.000 0.209 29 K C 2.479 178.871 176.600 -0.347 0.000 1.048 29 K CA 1.529 57.530 56.287 -0.476 0.000 0.927 29 K CB -0.425 31.763 32.500 -0.521 0.000 0.712 29 K HN 0.348 nan 8.250 nan 0.000 0.441 30 C N 0.555 119.681 119.300 -0.290 0.000 2.419 30 C HA -0.023 4.444 4.460 0.011 0.000 0.283 30 C C 2.256 177.135 174.990 -0.185 0.000 1.373 30 C CA 0.468 59.366 59.018 -0.200 0.000 1.781 30 C CB -0.890 26.758 27.740 -0.154 0.000 1.886 30 C HN 0.368 nan 8.230 nan 0.000 0.520 31 R N -0.073 120.273 120.500 -0.255 0.000 2.317 31 R HA 0.216 4.562 4.340 0.011 0.000 0.208 31 R C 0.174 176.352 176.300 -0.203 0.000 0.914 31 R CA -0.068 55.904 56.100 -0.212 0.000 1.060 31 R CB -0.035 30.052 30.300 -0.356 0.000 1.015 31 R HN 0.487 nan 8.270 nan 0.000 0.498 32 L N 1.860 122.923 121.223 -0.266 0.000 2.499 32 L HA 0.001 4.348 4.340 0.011 0.000 0.273 32 L C -0.061 176.730 176.870 -0.131 0.000 1.195 32 L CA 0.375 55.082 54.840 -0.222 0.000 0.882 32 L CB 0.205 42.128 42.059 -0.226 0.000 1.133 32 L HN -0.057 nan 8.230 nan 0.000 0.483 33 D N 3.142 123.480 120.400 -0.102 0.000 2.620 33 D HA 0.211 4.858 4.640 0.011 0.000 0.252 33 D C 0.731 176.990 176.300 -0.069 0.000 1.207 33 D CA -0.569 53.385 54.000 -0.078 0.000 0.884 33 D CB 1.500 42.258 40.800 -0.071 0.000 1.262 33 D HN 0.452 nan 8.370 nan 0.000 0.552 34 I N 0.021 120.555 120.570 -0.061 0.000 2.756 34 I HA -0.014 4.163 4.170 0.011 0.000 0.262 34 I C 0.421 176.509 176.117 -0.048 0.000 1.225 34 I CA 0.887 62.157 61.300 -0.050 0.000 1.472 34 I CB 0.189 38.163 38.000 -0.043 0.000 1.094 34 I HN 0.049 nan 8.210 nan 0.000 0.454 35 D N 1.057 121.423 120.400 -0.058 0.000 2.349 35 D HA 0.065 4.712 4.640 0.011 0.000 0.214 35 D C 0.720 176.973 176.300 -0.080 0.000 1.063 35 D CA 0.342 54.306 54.000 -0.061 0.000 0.847 35 D CB 0.442 41.204 40.800 -0.063 0.000 0.933 35 D HN 0.263 nan 8.370 nan 0.000 0.513 36 S N 0.900 116.551 115.700 -0.082 0.000 2.405 36 S HA 0.442 4.919 4.470 0.011 0.000 0.291 36 S C 0.118 174.684 174.600 -0.056 0.000 1.137 36 S CA -0.699 57.446 58.200 -0.091 0.000 1.061 36 S CB 0.254 63.404 63.200 -0.083 0.000 1.001 36 S HN 0.180 nan 8.310 nan 0.000 0.507 37 A N 7.782 130.574 122.820 -0.047 0.000 2.477 37 A HA 0.522 4.849 4.320 0.011 0.000 0.246 37 A C -1.984 175.596 177.584 -0.007 0.000 1.078 37 A CA -1.209 50.818 52.037 -0.017 0.000 0.770 37 A CB -0.129 18.873 19.000 0.002 0.000 1.011 37 A HN 0.707 nan 8.150 nan 0.000 0.494 38 P HA 0.289 nan 4.420 nan 0.000 0.274 38 P C 0.094 177.399 177.300 0.007 0.000 1.256 38 P CA -0.245 62.854 63.100 -0.002 0.000 0.795 38 P CB 0.411 32.102 31.700 -0.017 0.000 1.038 39 I N -2.657 117.915 120.570 0.004 0.000 3.211 39 I HA 0.185 4.362 4.170 0.011 0.000 0.297 39 I C 1.218 177.340 176.117 0.007 0.000 1.095 39 I CA -0.450 60.856 61.300 0.009 0.000 1.239 39 I CB -0.439 37.556 38.000 -0.010 0.000 1.455 39 I HN 0.152 nan 8.210 nan 0.000 0.630 40 T N 2.067 116.645 114.554 0.041 0.000 2.777 40 T HA 0.030 4.387 4.350 0.011 0.000 0.266 40 T C 1.071 175.816 174.700 0.074 0.000 1.040 40 T CA 1.187 63.345 62.100 0.097 0.000 1.141 40 T CB -0.310 68.665 68.868 0.178 0.000 0.868 40 T HN 0.763 nan 8.240 nan 0.000 0.444 41 A N 2.072 124.815 122.820 -0.129 0.000 2.498 41 A HA 0.404 4.731 4.320 0.011 0.000 0.239 41 A C 0.586 178.078 177.584 -0.154 0.000 1.068 41 A CA -0.120 51.678 52.037 -0.397 0.000 0.766 41 A CB 0.150 18.542 19.000 -1.014 0.000 1.003 41 A HN 0.283 nan 8.150 nan 0.000 0.497 42 R N 2.251 122.729 120.500 -0.037 0.000 2.439 42 R HA 0.254 4.600 4.340 0.011 0.000 0.310 42 R C -0.414 175.929 176.300 0.072 0.000 0.955 42 R CA -0.304 55.800 56.100 0.006 0.000 0.853 42 R CB 0.759 31.075 30.300 0.026 0.000 1.171 42 R HN 0.967 nan 8.270 nan 0.000 0.449 43 N N 0.677 119.408 118.700 0.053 0.000 2.409 43 N HA -0.004 4.742 4.740 0.011 0.000 0.174 43 N C -0.391 175.191 175.510 0.119 0.000 1.037 43 N CA 0.449 53.555 53.050 0.094 0.000 0.898 43 N CB 0.448 38.985 38.487 0.084 0.000 1.010 43 N HN 0.425 nan 8.380 nan 0.000 0.445 44 T N 0.918 115.528 114.554 0.093 0.000 2.761 44 T HA 0.240 4.596 4.350 0.011 0.000 0.296 44 T C 0.654 175.410 174.700 0.094 0.000 0.934 44 T CA -0.547 61.602 62.100 0.081 0.000 1.091 44 T CB 1.176 70.075 68.868 0.052 0.000 0.896 44 T HN 0.127 nan 8.240 nan 0.000 0.515 45 G N 2.797 111.653 108.800 0.093 0.000 2.491 45 G HA2 0.445 4.412 3.960 0.011 0.000 0.238 45 G HA3 0.445 4.412 3.960 0.011 0.000 0.238 45 G C -0.363 174.565 174.900 0.046 0.000 1.277 45 G CA -0.481 44.668 45.100 0.082 0.000 0.851 45 G HN 0.767 nan 8.290 nan 0.000 0.573 46 I N 1.895 122.477 120.570 0.020 0.000 2.382 46 I HA 0.301 4.477 4.170 0.011 0.000 0.286 46 I C -0.249 175.873 176.117 0.008 0.000 1.002 46 I CA -0.447 60.866 61.300 0.021 0.000 1.135 46 I CB 1.736 39.756 38.000 0.034 0.000 1.288 46 I HN 0.217 nan 8.210 nan 0.000 0.448 47 I N 5.767 126.360 120.570 0.037 0.000 2.354 47 I HA 0.364 4.541 4.170 0.011 0.000 0.292 47 I C -0.646 175.516 176.117 0.076 0.000 0.989 47 I CA -0.416 60.928 61.300 0.074 0.000 1.188 47 I CB 1.446 39.523 38.000 0.128 0.000 1.342 47 I HN 0.511 nan 8.210 nan 0.000 0.457 48 C N 3.916 123.260 119.300 0.073 0.000 2.345 48 C HA 0.412 4.879 4.460 0.011 0.000 0.323 48 C C 0.612 175.658 174.990 0.093 0.000 1.276 48 C CA -0.622 58.439 59.018 0.072 0.000 1.543 48 C CB 1.138 28.908 27.740 0.050 0.000 2.211 48 C HN 0.675 nan 8.230 nan 0.000 0.493 49 T N 5.112 119.727 114.554 0.102 0.000 2.814 49 T HA 0.296 4.653 4.350 0.011 0.000 0.297 49 T C 0.303 175.066 174.700 0.105 0.000 0.956 49 T CA 0.005 62.176 62.100 0.118 0.000 1.123 49 T CB 0.039 68.982 68.868 0.125 0.000 0.902 49 T HN 0.363 nan 8.240 nan 0.000 0.528 50 I N 2.958 123.598 120.570 0.116 0.000 2.440 50 I HA 0.682 4.858 4.170 0.011 0.000 0.294 50 I C 0.933 177.130 176.117 0.132 0.000 0.995 50 I CA -0.183 61.180 61.300 0.105 0.000 1.306 50 I CB 0.851 38.906 38.000 0.091 0.000 1.407 50 I HN 0.820 nan 8.210 nan 0.000 0.501 51 G N 5.719 114.584 108.800 0.110 0.000 2.650 51 G HA2 0.428 4.394 3.960 0.011 0.000 0.310 51 G HA3 0.428 4.394 3.960 0.011 0.000 0.310 51 G C -2.654 172.309 174.900 0.104 0.000 1.270 51 G CA -0.355 44.825 45.100 0.134 0.000 0.810 51 G HN 0.257 nan 8.290 nan 0.000 0.493 52 P HA -0.058 nan 4.420 nan 0.000 0.217 52 P C 1.829 179.150 177.300 0.036 0.000 1.148 52 P CA 2.345 65.491 63.100 0.076 0.000 0.828 52 P CB 0.140 31.871 31.700 0.053 0.000 0.783 53 A N -0.810 122.027 122.820 0.029 0.000 2.119 53 A HA -0.001 4.326 4.320 0.011 0.000 0.216 53 A C 1.756 179.349 177.584 0.015 0.000 1.152 53 A CA 1.593 53.637 52.037 0.011 0.000 0.708 53 A CB -0.693 18.310 19.000 0.005 0.000 0.805 53 A HN 0.325 nan 8.150 nan 0.000 0.460 54 S N -2.316 113.400 115.700 0.027 0.000 2.960 54 S HA 0.234 4.711 4.470 0.011 0.000 0.256 54 S C 1.089 175.703 174.600 0.022 0.000 1.017 54 S CA 0.078 58.295 58.200 0.028 0.000 1.144 54 S CB -0.115 63.108 63.200 0.040 0.000 1.109 54 S HN 0.482 nan 8.310 nan 0.000 0.638 55 R N 2.760 123.266 120.500 0.011 0.000 2.161 55 R HA 0.142 4.488 4.340 0.011 0.000 0.213 55 R C 0.872 177.157 176.300 -0.026 0.000 1.055 55 R CA 1.047 57.138 56.100 -0.016 0.000 0.996 55 R CB -0.065 30.212 30.300 -0.039 0.000 0.901 55 R HN 0.530 nan 8.270 nan 0.000 0.456 56 S N -0.885 114.806 115.700 -0.014 0.000 2.585 56 S HA 0.046 4.523 4.470 0.011 0.000 0.273 56 S C 1.413 176.011 174.600 -0.004 0.000 1.339 56 S CA -0.707 57.484 58.200 -0.014 0.000 1.028 56 S CB 1.772 64.966 63.200 -0.010 0.000 0.906 56 S HN -0.034 nan 8.310 nan 0.000 0.528 57 V N 1.822 121.731 119.914 -0.008 0.000 2.332 57 V HA -0.134 3.993 4.120 0.011 0.000 0.248 57 V C 2.706 178.804 176.094 0.006 0.000 1.055 57 V CA 2.064 64.363 62.300 -0.001 0.000 1.038 57 V CB -0.972 30.843 31.823 -0.013 0.000 0.651 57 V HN 0.841 nan 8.190 nan 0.000 0.450 58 E N 0.046 120.247 120.200 0.002 0.000 2.072 58 E HA -0.154 4.202 4.350 0.011 0.000 0.191 58 E C 2.348 178.964 176.600 0.026 0.000 0.985 58 E CA 1.784 58.189 56.400 0.009 0.000 0.801 58 E CB -0.694 29.008 29.700 0.002 0.000 0.750 58 E HN 0.598 nan 8.360 nan 0.000 0.452 59 T N 1.815 116.382 114.554 0.022 0.000 2.777 59 T HA -0.062 4.295 4.350 0.011 0.000 0.266 59 T C 2.134 176.860 174.700 0.043 0.000 1.040 59 T CA 0.694 62.812 62.100 0.029 0.000 1.141 59 T CB -0.202 68.678 68.868 0.020 0.000 0.868 59 T HN 0.069 nan 8.240 nan 0.000 0.444 60 L N 0.401 121.650 121.223 0.044 0.000 2.083 60 L HA -0.093 4.254 4.340 0.011 0.000 0.209 60 L C 2.596 179.528 176.870 0.103 0.000 1.083 60 L CA 1.319 56.195 54.840 0.059 0.000 0.752 60 L CB -0.402 41.687 42.059 0.051 0.000 0.899 60 L HN 0.214 nan 8.230 nan 0.000 0.433 61 K N -0.418 120.058 120.400 0.126 0.000 2.057 61 K HA -0.163 4.164 4.320 0.011 0.000 0.207 61 K C 2.059 178.792 176.600 0.222 0.000 1.049 61 K CA 1.096 57.534 56.287 0.252 0.000 0.931 61 K CB -0.047 32.550 32.500 0.161 0.000 0.714 61 K HN 0.197 nan 8.250 nan 0.000 0.440 62 E N 0.353 120.626 120.200 0.122 0.000 2.150 62 E HA -0.099 4.257 4.350 0.011 0.000 0.193 62 E C 1.989 178.613 176.600 0.041 0.000 0.985 62 E CA 0.878 57.325 56.400 0.079 0.000 0.814 62 E CB -0.017 29.718 29.700 0.058 0.000 0.752 62 E HN 0.307 nan 8.360 nan 0.000 0.466 63 M N 0.120 119.744 119.600 0.040 0.000 2.117 63 M HA -0.108 4.379 4.480 0.011 0.000 0.262 63 M C 2.466 178.754 176.300 -0.021 0.000 1.065 63 M CA 1.140 56.450 55.300 0.015 0.000 1.114 63 M CB -0.781 31.834 32.600 0.025 0.000 1.361 63 M HN 0.084 nan 8.290 nan 0.000 0.408 64 I N 0.059 120.619 120.570 -0.018 0.000 2.179 64 I HA -0.306 3.870 4.170 0.011 0.000 0.242 64 I C 2.358 178.365 176.117 -0.184 0.000 1.088 64 I CA 1.323 62.559 61.300 -0.107 0.000 1.357 64 I CB -0.378 37.563 38.000 -0.099 0.000 1.051 64 I HN 0.290 nan 8.210 nan 0.000 0.409 65 K N 0.316 120.623 120.400 -0.154 0.000 2.147 65 K HA -0.107 4.220 4.320 0.011 0.000 0.205 65 K C 2.136 178.655 176.600 -0.135 0.000 1.049 65 K CA 1.494 57.682 56.287 -0.164 0.000 0.936 65 K CB -0.127 32.334 32.500 -0.063 0.000 0.722 65 K HN 0.161 nan 8.250 nan 0.000 0.446 66 S N -0.996 114.645 115.700 -0.098 0.000 2.489 66 S HA 0.036 4.513 4.470 0.011 0.000 0.228 66 S C 1.205 175.710 174.600 -0.159 0.000 0.995 66 S CA 0.898 59.034 58.200 -0.107 0.000 0.934 66 S CB 0.612 63.789 63.200 -0.039 0.000 0.771 66 S HN 0.626 nan 8.310 nan 0.000 0.522 67 G N 0.845 109.563 108.800 -0.137 0.000 2.370 67 G HA2 -0.162 3.805 3.960 0.011 0.000 0.174 67 G HA3 -0.162 3.805 3.960 0.011 0.000 0.174 67 G C 0.086 174.943 174.900 -0.072 0.000 1.002 67 G CA -0.244 44.788 45.100 -0.113 0.000 0.730 67 G HN 0.386 nan 8.290 nan 0.000 0.497 68 M N 1.326 120.881 119.600 -0.075 0.000 2.284 68 M HA 0.300 4.787 4.480 0.011 0.000 0.351 68 M C 0.963 177.165 176.300 -0.163 0.000 1.443 68 M CA 1.050 56.303 55.300 -0.078 0.000 1.031 68 M CB 0.112 32.685 32.600 -0.045 0.000 1.893 68 M HN 0.253 nan 8.290 nan 0.000 0.456 69 N N 2.627 121.194 118.700 -0.221 0.000 2.463 69 N HA 0.183 4.930 4.740 0.011 0.000 0.183 69 N C -1.042 174.248 175.510 -0.367 0.000 1.064 69 N CA -0.179 52.560 53.050 -0.519 0.000 0.879 69 N CB 0.967 39.011 38.487 -0.739 0.000 1.148 69 N HN 0.408 nan 8.380 nan 0.000 0.451 70 V N 0.810 120.643 119.914 -0.134 0.000 2.638 70 V HA 0.674 4.801 4.120 0.011 0.000 0.306 70 V C -0.979 175.127 176.094 0.020 0.000 1.052 70 V CA -1.216 61.076 62.300 -0.014 0.000 0.885 70 V CB 1.649 33.519 31.823 0.079 0.000 0.999 70 V HN 0.088 nan 8.190 nan 0.000 0.424 71 A N 4.594 127.427 122.820 0.022 0.000 2.252 71 A HA 0.711 5.038 4.320 0.011 0.000 0.309 71 A C 0.020 177.625 177.584 0.035 0.000 1.285 71 A CA -0.487 51.573 52.037 0.038 0.000 0.900 71 A CB 0.345 19.368 19.000 0.038 0.000 1.157 71 A HN 0.850 nan 8.150 nan 0.000 0.536 72 R N 3.892 124.435 120.500 0.072 0.000 2.229 72 R HA 0.471 4.818 4.340 0.011 0.000 0.328 72 R C -0.865 175.501 176.300 0.109 0.000 1.009 72 R CA -0.514 55.626 56.100 0.066 0.000 0.864 72 R CB 0.495 30.905 30.300 0.184 0.000 1.085 72 R HN 0.666 nan 8.270 nan 0.000 0.453 73 M N 3.916 123.581 119.600 0.107 0.000 2.088 73 M HA 0.172 4.659 4.480 0.011 0.000 0.346 73 M C -0.413 176.019 176.300 0.221 0.000 1.111 73 M CA -0.833 54.588 55.300 0.202 0.000 1.017 73 M CB 0.742 33.508 32.600 0.277 0.000 1.568 73 M HN 0.432 nan 8.290 nan 0.000 0.445 74 N N 2.814 121.652 118.700 0.230 0.000 2.469 74 N HA 0.203 4.950 4.740 0.011 0.000 0.239 74 N C -0.394 175.236 175.510 0.199 0.000 1.053 74 N CA -0.220 52.973 53.050 0.239 0.000 0.937 74 N CB 0.212 38.849 38.487 0.251 0.000 1.163 74 N HN 0.363 nan 8.380 nan 0.000 0.509 75 F N 1.294 121.210 119.950 -0.057 0.000 2.804 75 F HA 0.103 4.636 4.527 0.011 0.000 0.303 75 F C 2.060 177.863 175.800 0.004 0.000 1.154 75 F CA 0.115 58.079 58.000 -0.060 0.000 1.401 75 F CB -0.064 38.870 39.000 -0.109 0.000 1.106 75 F HN 0.458 nan 8.300 nan 0.000 0.568 76 S N -1.422 114.317 115.700 0.065 0.000 2.442 76 S HA -0.106 4.371 4.470 0.011 0.000 0.236 76 S C 0.141 174.434 174.600 -0.513 0.000 1.007 76 S CA 0.962 59.031 58.200 -0.218 0.000 0.965 76 S CB -0.451 62.547 63.200 -0.338 0.000 0.773 76 S HN 0.433 nan 8.310 nan 0.000 0.504 77 H N -1.369 117.765 119.070 0.106 0.000 2.946 77 H HA 0.611 5.174 4.556 0.011 0.000 0.365 77 H C 0.267 175.598 175.328 0.006 0.000 1.197 77 H CA -0.218 55.847 56.048 0.027 0.000 1.131 77 H CB 1.316 31.066 29.762 -0.020 0.000 1.849 77 H HN 0.202 nan 8.280 nan 0.000 0.555 78 G N 0.523 109.300 108.800 -0.039 0.000 2.705 78 G HA2 -0.028 3.939 3.960 0.011 0.000 0.686 78 G HA3 -0.028 3.939 3.960 0.011 0.000 0.686 78 G C -0.041 174.762 174.900 -0.161 0.000 1.285 78 G CA -0.524 44.387 45.100 -0.315 0.000 0.800 78 G HN 0.907 nan 8.290 nan 0.000 0.611 79 T N -1.553 112.898 114.554 -0.172 0.000 2.847 79 T HA 0.529 4.886 4.350 0.011 0.000 0.279 79 T C 1.374 176.090 174.700 0.026 0.000 0.984 79 T CA 0.524 62.587 62.100 -0.062 0.000 0.988 79 T CB 1.193 70.031 68.868 -0.050 0.000 1.040 79 T HN 0.684 nan 8.240 nan 0.000 0.528 80 H N -0.403 118.558 119.070 -0.182 0.000 2.387 80 H HA -0.115 4.447 4.556 0.011 0.000 0.299 80 H C 2.299 177.550 175.328 -0.130 0.000 1.099 80 H CA 1.537 57.326 56.048 -0.432 0.000 1.315 80 H CB 0.225 29.531 29.762 -0.760 0.000 1.380 80 H HN 0.852 nan 8.280 nan 0.000 0.513 81 E N 0.701 120.955 120.200 0.090 0.000 2.058 81 E HA -0.253 4.104 4.350 0.011 0.000 0.194 81 E C 1.969 178.629 176.600 0.099 0.000 0.997 81 E CA 1.199 57.665 56.400 0.110 0.000 0.801 81 E CB -0.185 29.560 29.700 0.075 0.000 0.746 81 E HN 0.487 nan 8.360 nan 0.000 0.450 82 Y N 0.880 121.125 120.300 -0.093 0.000 2.145 82 Y HA -0.274 4.282 4.550 0.011 0.000 0.286 82 Y C 2.416 178.210 175.900 -0.178 0.000 1.145 82 Y CA 2.298 60.286 58.100 -0.187 0.000 1.148 82 Y CB -0.212 38.046 38.460 -0.336 0.000 0.981 82 Y HN 0.229 nan 8.280 nan 0.000 0.507 83 H N -0.837 118.305 119.070 0.120 0.000 2.389 83 H HA -0.040 4.523 4.556 0.011 0.000 0.299 83 H C 2.328 177.778 175.328 0.204 0.000 1.081 83 H CA 1.115 57.221 56.048 0.096 0.000 1.345 83 H CB -0.685 29.041 29.762 -0.059 0.000 1.393 83 H HN 0.505 nan 8.280 nan 0.000 0.520 84 A N 1.056 124.128 122.820 0.419 0.000 1.933 84 A HA -0.208 4.119 4.320 0.011 0.000 0.218 84 A C 2.383 180.045 177.584 0.130 0.000 1.175 84 A CA 1.809 54.050 52.037 0.339 0.000 0.628 84 A CB -0.402 18.842 19.000 0.407 0.000 0.814 84 A HN 0.505 nan 8.150 nan 0.000 0.444 85 E N -0.748 119.476 120.200 0.040 0.000 2.072 85 E HA -0.141 4.216 4.350 0.011 0.000 0.191 85 E C 1.952 178.504 176.600 -0.081 0.000 0.985 85 E CA 1.590 57.960 56.400 -0.050 0.000 0.801 85 E CB -0.157 29.466 29.700 -0.128 0.000 0.750 85 E HN 0.551 nan 8.360 nan 0.000 0.452 86 T N 1.164 115.645 114.554 -0.122 0.000 2.684 86 T HA -0.156 4.200 4.350 0.011 0.000 0.267 86 T C 1.878 176.586 174.700 0.013 0.000 1.036 86 T CA 1.463 63.515 62.100 -0.079 0.000 1.148 86 T CB -0.229 68.609 68.868 -0.050 0.000 0.863 86 T HN 0.182 nan 8.240 nan 0.000 0.436 87 I N 0.871 121.480 120.570 0.065 0.000 2.226 87 I HA -0.187 3.990 4.170 0.011 0.000 0.245 87 I C 2.663 178.802 176.117 0.037 0.000 1.100 87 I CA 1.290 62.629 61.300 0.065 0.000 1.374 87 I CB -0.324 37.724 38.000 0.080 0.000 1.057 87 I HN 0.192 nan 8.210 nan 0.000 0.413 88 K N 1.024 121.441 120.400 0.028 0.000 2.032 88 K HA -0.238 4.089 4.320 0.011 0.000 0.209 88 K C 1.899 178.507 176.600 0.013 0.000 1.048 88 K CA 1.947 58.244 56.287 0.017 0.000 0.927 88 K CB -0.081 32.426 32.500 0.012 0.000 0.712 88 K HN 0.257 nan 8.250 nan 0.000 0.441 89 N N 0.528 119.229 118.700 0.001 0.000 2.166 89 N HA -0.126 4.620 4.740 0.011 0.000 0.186 89 N C 1.814 177.335 175.510 0.020 0.000 1.019 89 N CA 1.062 54.111 53.050 -0.001 0.000 0.856 89 N CB -0.397 38.077 38.487 -0.021 0.000 0.993 89 N HN 0.004 nan 8.380 nan 0.000 0.426 90 V N 1.384 121.315 119.914 0.029 0.000 2.287 90 V HA -0.215 3.912 4.120 0.011 0.000 0.248 90 V C 2.263 178.394 176.094 0.060 0.000 1.053 90 V CA 1.614 63.941 62.300 0.045 0.000 1.027 90 V CB -0.356 31.494 31.823 0.046 0.000 0.646 90 V HN 0.284 nan 8.190 nan 0.000 0.447 91 R N -0.525 120.008 120.500 0.055 0.000 2.092 91 R HA -0.100 4.246 4.340 0.011 0.000 0.231 91 R C 2.410 178.752 176.300 0.070 0.000 1.119 91 R CA 1.743 57.885 56.100 0.071 0.000 0.970 91 R CB -0.660 29.674 30.300 0.056 0.000 0.864 91 R HN 0.500 nan 8.270 nan 0.000 0.440 92 T N 1.015 115.594 114.554 0.041 0.000 2.708 92 T HA -0.166 4.191 4.350 0.011 0.000 0.266 92 T C 1.979 176.691 174.700 0.019 0.000 1.037 92 T CA 1.523 63.636 62.100 0.022 0.000 1.146 92 T CB -0.274 68.595 68.868 0.002 0.000 0.865 92 T HN 0.376 nan 8.240 nan 0.000 0.435 93 A N 1.331 124.173 122.820 0.037 0.000 1.902 93 A HA -0.139 4.188 4.320 0.011 0.000 0.217 93 A C 2.575 180.251 177.584 0.153 0.000 1.181 93 A CA 2.163 54.234 52.037 0.056 0.000 0.623 93 A CB -1.298 17.758 19.000 0.093 0.000 0.818 93 A HN 0.484 nan 8.150 nan 0.000 0.443 94 T N 0.058 114.726 114.554 0.189 0.000 2.708 94 T HA -0.102 4.254 4.350 0.011 0.000 0.266 94 T C 1.685 176.621 174.700 0.393 0.000 1.037 94 T CA 1.524 63.791 62.100 0.278 0.000 1.146 94 T CB -0.231 68.748 68.868 0.184 0.000 0.865 94 T HN 0.448 nan 8.240 nan 0.000 0.435 95 E N 1.477 121.830 120.200 0.255 0.000 2.358 95 E HA -0.015 4.342 4.350 0.011 0.000 0.195 95 E C 2.456 179.114 176.600 0.096 0.000 1.010 95 E CA 0.607 57.137 56.400 0.216 0.000 0.856 95 E CB -0.476 29.291 29.700 0.112 0.000 0.795 95 E HN 0.642 nan 8.360 nan 0.000 0.504 96 S N -0.178 115.500 115.700 -0.038 0.000 2.469 96 S HA -0.113 4.364 4.470 0.011 0.000 0.238 96 S C 1.407 175.805 174.600 -0.337 0.000 0.998 96 S CA 0.605 58.652 58.200 -0.256 0.000 0.957 96 S CB -0.420 62.515 63.200 -0.441 0.000 0.764 96 S HN 0.143 nan 8.310 nan 0.000 0.514 97 F N 0.984 121.020 119.950 0.143 0.000 2.695 97 F HA 0.585 5.120 4.527 0.012 0.000 0.303 97 F C 2.222 178.163 175.800 0.236 0.000 1.091 97 F CA -0.238 57.865 58.000 0.171 0.000 1.300 97 F CB -0.270 38.825 39.000 0.157 0.000 1.071 97 F HN 0.277 nan 8.300 nan 0.000 0.578 98 A N -0.013 122.973 122.820 0.276 0.000 2.119 98 A HA -0.100 4.227 4.320 0.011 0.000 0.217 98 A C 2.275 179.843 177.584 -0.027 0.000 1.153 98 A CA 1.420 53.449 52.037 -0.014 0.000 0.692 98 A CB -0.860 18.019 19.000 -0.201 0.000 0.799 98 A HN 0.339 nan 8.150 nan 0.000 0.458 99 S N -0.717 115.004 115.700 0.034 0.000 2.474 99 S HA -0.080 4.396 4.470 0.011 0.000 0.235 99 S C 0.495 175.116 174.600 0.034 0.000 0.997 99 S CA 0.903 59.112 58.200 0.016 0.000 0.949 99 S CB -0.144 63.064 63.200 0.014 0.000 0.766 99 S HN 0.423 nan 8.310 nan 0.000 0.517 100 D N 2.173 122.621 120.400 0.081 0.000 2.462 100 D HA 0.350 4.997 4.640 0.011 0.000 0.249 100 D C -1.886 174.477 176.300 0.105 0.000 1.117 100 D CA -2.537 51.513 54.000 0.083 0.000 0.900 100 D CB 1.711 42.569 40.800 0.097 0.000 1.039 100 D HN 0.021 nan 8.370 nan 0.000 0.516 101 P HA -0.117 nan 4.420 nan 0.000 0.223 101 P C 1.478 178.833 177.300 0.093 0.000 1.144 101 P CA 0.379 63.515 63.100 0.060 0.000 0.783 101 P CB 0.554 32.259 31.700 0.008 0.000 0.771 102 I N -1.120 119.493 120.570 0.072 0.000 2.500 102 I HA -0.064 4.113 4.170 0.011 0.000 0.252 102 I C 2.267 178.423 176.117 0.064 0.000 1.142 102 I CA 1.118 62.452 61.300 0.056 0.000 1.451 102 I CB -0.995 37.020 38.000 0.025 0.000 1.093 102 I HN 0.010 nan 8.210 nan 0.000 0.430 103 L N -1.385 119.890 121.223 0.086 0.000 2.638 103 L HA 0.091 4.437 4.340 0.011 0.000 0.232 103 L C 0.673 177.592 176.870 0.081 0.000 1.099 103 L CA -0.262 54.617 54.840 0.065 0.000 0.883 103 L CB -0.149 41.940 42.059 0.049 0.000 1.136 103 L HN 0.048 nan 8.230 nan 0.000 0.492 104 Y N 2.969 123.281 120.300 0.020 0.000 2.717 104 Y HA 0.012 4.569 4.550 0.012 0.000 0.330 104 Y C 0.210 176.083 175.900 -0.044 0.000 1.217 104 Y CA -0.088 58.025 58.100 0.021 0.000 1.506 104 Y CB 0.298 38.782 38.460 0.040 0.000 1.268 104 Y HN -0.025 nan 8.280 nan 0.000 0.561 105 R N 7.667 127.738 120.500 -0.714 0.000 2.343 105 R HA 0.361 4.708 4.340 0.011 0.000 0.320 105 R C -2.748 173.031 176.300 -0.869 0.000 0.956 105 R CA -2.739 52.975 56.100 -0.642 0.000 0.836 105 R CB 0.785 30.826 30.300 -0.431 0.000 1.151 105 R HN 0.532 nan 8.270 nan 0.000 0.450 106 P HA 0.074 nan 4.420 nan 0.000 0.268 106 P C -0.553 176.747 177.300 -0.001 0.000 1.205 106 P CA -0.135 62.827 63.100 -0.230 0.000 0.771 106 P CB 0.678 32.342 31.700 -0.060 0.000 0.858 107 V N 2.255 122.182 119.914 0.022 0.000 2.577 107 V HA 0.595 4.722 4.120 0.011 0.000 0.303 107 V C 0.219 176.366 176.094 0.088 0.000 1.042 107 V CA -0.866 61.451 62.300 0.029 0.000 0.872 107 V CB 1.601 33.409 31.823 -0.024 0.000 0.998 107 V HN 0.677 nan 8.190 nan 0.000 0.423 108 A N 4.475 127.364 122.820 0.115 0.000 2.286 108 A HA 0.830 5.157 4.320 0.011 0.000 0.286 108 A C -0.487 177.122 177.584 0.042 0.000 1.097 108 A CA -0.427 51.673 52.037 0.104 0.000 0.821 108 A CB 1.109 20.202 19.000 0.155 0.000 1.076 108 A HN 0.734 nan 8.150 nan 0.000 0.490 109 V N 0.910 120.833 119.914 0.014 0.000 2.409 109 V HA 0.641 4.768 4.120 0.011 0.000 0.291 109 V C 0.309 176.341 176.094 -0.103 0.000 1.020 109 V CA -0.180 62.106 62.300 -0.023 0.000 0.848 109 V CB 1.161 32.980 31.823 -0.007 0.000 0.990 109 V HN 1.194 nan 8.190 nan 0.000 0.430 110 A N 5.176 127.882 122.820 -0.191 0.000 2.342 110 A HA 0.862 5.189 4.320 0.011 0.000 0.323 110 A C -0.956 176.394 177.584 -0.389 0.000 1.125 110 A CA -0.567 51.191 52.037 -0.465 0.000 0.785 110 A CB 1.317 19.738 19.000 -0.966 0.000 1.221 110 A HN 0.905 nan 8.150 nan 0.000 0.463 111 L N 2.515 123.493 121.223 -0.408 0.000 2.280 111 L HA 0.417 4.763 4.340 0.011 0.000 0.287 111 L C -0.936 175.761 176.870 -0.289 0.000 1.023 111 L CA -0.527 54.131 54.840 -0.303 0.000 0.819 111 L CB 0.971 42.785 42.059 -0.409 0.000 1.212 111 L HN 0.725 nan 8.230 nan 0.000 0.420 112 D N 4.155 124.499 120.400 -0.093 0.000 2.373 112 D HA 0.155 4.802 4.640 0.011 0.000 0.227 112 D C -0.154 176.188 176.300 0.071 0.000 1.091 112 D CA -0.189 53.843 54.000 0.053 0.000 0.840 112 D CB 1.466 42.380 40.800 0.191 0.000 1.060 112 D HN 0.610 nan 8.370 nan 0.000 0.502 113 T N 1.018 115.589 114.554 0.027 0.000 2.900 113 T HA 0.082 4.438 4.350 0.011 0.000 0.307 113 T C 1.345 176.105 174.700 0.099 0.000 1.065 113 T CA -0.416 61.704 62.100 0.034 0.000 1.105 113 T CB 1.927 70.803 68.868 0.013 0.000 0.979 113 T HN 0.440 nan 8.240 nan 0.000 0.544 114 K N 2.122 122.596 120.400 0.124 0.000 2.002 114 K HA 0.094 4.421 4.320 0.011 0.000 0.209 114 K C 1.339 178.039 176.600 0.168 0.000 1.048 114 K CA 1.373 57.732 56.287 0.121 0.000 0.930 114 K CB -1.155 31.404 32.500 0.099 0.000 0.714 114 K HN 1.159 nan 8.250 nan 0.000 0.438 115 G N 0.147 109.035 108.800 0.146 0.000 2.697 115 G HA2 -0.217 3.750 3.960 0.011 0.000 0.240 115 G HA3 -0.217 3.750 3.960 0.011 0.000 0.240 115 G C -2.364 172.612 174.900 0.126 0.000 1.346 115 G CA -0.114 45.100 45.100 0.190 0.000 0.887 115 G HN 0.312 nan 8.290 nan 0.000 0.569 116 P HA 0.223 nan 4.420 nan 0.000 0.225 116 P C 0.041 177.115 177.300 -0.377 0.000 1.768 116 P CA 0.247 63.239 63.100 -0.179 0.000 0.943 116 P CB -0.252 31.308 31.700 -0.233 0.000 1.936 117 E N 0.939 121.032 120.200 -0.178 0.000 2.383 117 E HA 0.282 4.638 4.350 0.011 0.000 0.264 117 E C 0.181 176.674 176.600 -0.178 0.000 1.050 117 E CA -0.446 55.856 56.400 -0.163 0.000 0.896 117 E CB 0.862 30.578 29.700 0.028 0.000 0.982 117 E HN 0.323 nan 8.360 nan 0.000 0.424 118 I N 2.891 123.361 120.570 -0.168 0.000 2.404 118 I HA 0.380 4.557 4.170 0.011 0.000 0.293 118 I C 0.122 176.228 176.117 -0.017 0.000 0.992 118 I CA -0.527 60.711 61.300 -0.103 0.000 1.149 118 I CB 1.184 39.117 38.000 -0.111 0.000 1.315 118 I HN 0.243 nan 8.210 nan 0.000 0.446 119 R N 2.882 123.389 120.500 0.011 0.000 2.725 119 R HA 0.516 4.862 4.340 0.011 0.000 0.277 119 R C -0.431 175.921 176.300 0.087 0.000 0.987 119 R CA -0.802 55.341 56.100 0.071 0.000 0.901 119 R CB 2.550 32.918 30.300 0.112 0.000 1.207 119 R HN 0.744 nan 8.270 nan 0.000 0.463 120 T N -1.246 113.387 114.554 0.132 0.000 2.754 120 T HA 0.423 4.780 4.350 0.011 0.000 0.286 120 T C 0.848 175.765 174.700 0.362 0.000 0.997 120 T CA -0.404 61.814 62.100 0.197 0.000 0.982 120 T CB 1.178 70.140 68.868 0.158 0.000 1.027 120 T HN 0.605 nan 8.240 nan 0.000 0.529 121 G N -0.320 108.775 108.800 0.492 0.000 2.543 121 G HA2 0.542 4.508 3.960 0.011 0.000 0.267 121 G HA3 0.542 4.508 3.960 0.011 0.000 0.267 121 G C -0.941 174.069 174.900 0.183 0.000 1.406 121 G CA -0.977 44.359 45.100 0.393 0.000 1.048 121 G HN 0.626 nan 8.290 nan 0.000 0.548 122 L N 0.567 121.838 121.223 0.079 0.000 2.326 122 L HA 0.322 4.669 4.340 0.011 0.000 0.278 122 L C 0.480 177.387 176.870 0.061 0.000 1.092 122 L CA -0.781 54.091 54.840 0.054 0.000 0.810 122 L CB 1.284 43.347 42.059 0.005 0.000 1.153 122 L HN 0.203 nan 8.230 nan 0.000 0.439 123 I N 3.259 123.868 120.570 0.065 0.000 2.710 123 I HA -0.040 4.136 4.170 0.011 0.000 0.286 123 I C 0.965 177.108 176.117 0.044 0.000 1.181 123 I CA -0.078 61.261 61.300 0.064 0.000 1.430 123 I CB -0.091 37.948 38.000 0.065 0.000 1.367 123 I HN 0.673 nan 8.210 nan 0.000 0.577 124 K N 4.751 125.179 120.400 0.048 0.000 2.494 124 K HA 0.058 4.385 4.320 0.011 0.000 0.273 124 K C 1.134 177.747 176.600 0.021 0.000 0.970 124 K CA 0.282 56.587 56.287 0.031 0.000 0.963 124 K CB 0.203 32.727 32.500 0.041 0.000 0.913 124 K HN 0.704 nan 8.250 nan 0.000 0.502 125 G N 2.016 110.820 108.800 0.007 0.000 2.418 125 G HA2 -0.197 3.770 3.960 0.011 0.000 0.217 125 G HA3 -0.197 3.770 3.960 0.011 0.000 0.217 125 G C 0.018 174.924 174.900 0.009 0.000 1.158 125 G CA 0.411 45.513 45.100 0.004 0.000 0.771 125 G HN 0.718 nan 8.290 nan 0.000 0.545 126 S N 0.421 116.128 115.700 0.011 0.000 2.572 126 S HA 0.486 4.962 4.470 0.011 0.000 0.279 126 S C 0.910 175.523 174.600 0.022 0.000 1.341 126 S CA -0.005 58.203 58.200 0.014 0.000 1.043 126 S CB 0.792 64.001 63.200 0.013 0.000 0.887 126 S HN 1.501 nan 8.310 nan 0.000 0.516 127 G N 1.827 110.640 108.800 0.022 0.000 2.698 127 G HA2 -0.178 3.789 3.960 0.011 0.000 0.233 127 G HA3 -0.178 3.789 3.960 0.011 0.000 0.233 127 G C 0.002 174.922 174.900 0.034 0.000 1.352 127 G CA -0.467 44.650 45.100 0.029 0.000 0.879 127 G HN 1.485 nan 8.290 nan 0.000 0.567 128 T N -1.340 113.241 114.554 0.046 0.000 2.906 128 T HA 0.523 4.880 4.350 0.011 0.000 0.320 128 T C 1.850 176.581 174.700 0.052 0.000 1.088 128 T CA 0.950 63.080 62.100 0.051 0.000 1.120 128 T CB 1.193 70.109 68.868 0.079 0.000 1.000 128 T HN 2.227 nan 8.240 nan 0.000 0.550 129 A N 1.866 124.710 122.820 0.039 0.000 1.933 129 A HA 0.042 4.368 4.320 0.011 0.000 0.218 129 A C 1.016 178.636 177.584 0.060 0.000 1.175 129 A CA 0.930 52.988 52.037 0.036 0.000 0.628 129 A CB -0.498 18.511 19.000 0.016 0.000 0.814 129 A HN 0.923 nan 8.150 nan 0.000 0.444 130 E N -0.927 119.327 120.200 0.090 0.000 2.244 130 E HA 0.482 4.839 4.350 0.011 0.000 0.266 130 E C -0.901 175.819 176.600 0.199 0.000 0.914 130 E CA -0.830 55.658 56.400 0.147 0.000 0.794 130 E CB 2.315 32.128 29.700 0.188 0.000 1.210 130 E HN 0.260 nan 8.360 nan 0.000 0.414 131 V N -0.894 119.118 119.914 0.164 0.000 2.532 131 V HA 0.406 4.533 4.120 0.011 0.000 0.295 131 V C -0.121 176.007 176.094 0.057 0.000 1.041 131 V CA -0.756 61.615 62.300 0.118 0.000 0.926 131 V CB 1.559 33.419 31.823 0.063 0.000 0.992 131 V HN 0.750 nan 8.190 nan 0.000 0.457 132 E N 3.760 123.921 120.200 -0.065 0.000 2.194 132 E HA 0.404 4.761 4.350 0.011 0.000 0.284 132 E C -0.968 175.486 176.600 -0.244 0.000 1.035 132 E CA -0.539 55.613 56.400 -0.414 0.000 0.836 132 E CB 0.972 30.327 29.700 -0.576 0.000 1.070 132 E HN 0.805 nan 8.360 nan 0.000 0.401 133 L N 5.810 126.888 121.223 -0.242 0.000 2.259 133 L HA 0.325 4.672 4.340 0.011 0.000 0.288 133 L C 0.074 176.844 176.870 -0.167 0.000 1.051 133 L CA -0.432 54.319 54.840 -0.148 0.000 0.824 133 L CB 0.606 42.608 42.059 -0.094 0.000 1.206 133 L HN 0.379 nan 8.230 nan 0.000 0.429 134 K N 3.158 123.478 120.400 -0.134 0.000 2.172 134 K HA 0.250 4.577 4.320 0.011 0.000 0.276 134 K C -0.129 176.424 176.600 -0.078 0.000 1.013 134 K CA -0.822 55.395 56.287 -0.116 0.000 0.913 134 K CB 1.731 34.174 32.500 -0.095 0.000 1.055 134 K HN 0.324 nan 8.250 nan 0.000 0.461 135 K N 0.965 121.326 120.400 -0.066 0.000 2.491 135 K HA -0.116 4.211 4.320 0.011 0.000 0.279 135 K C 0.740 177.316 176.600 -0.040 0.000 1.026 135 K CA 1.347 57.605 56.287 -0.047 0.000 1.070 135 K CB -0.117 32.362 32.500 -0.034 0.000 0.887 135 K HN 0.830 nan 8.250 nan 0.000 0.481 136 G N 1.930 110.707 108.800 -0.038 0.000 2.217 136 G HA2 -0.289 3.678 3.960 0.011 0.000 0.246 136 G HA3 -0.289 3.678 3.960 0.011 0.000 0.246 136 G C 0.159 175.039 174.900 -0.033 0.000 0.990 136 G CA 0.040 45.121 45.100 -0.032 0.000 0.627 136 G HN 0.944 nan 8.290 nan 0.000 0.522 137 A N 0.194 122.991 122.820 -0.039 0.000 2.332 137 A HA 0.691 5.018 4.320 0.011 0.000 0.258 137 A C 0.731 178.292 177.584 -0.037 0.000 1.087 137 A CA 1.096 53.110 52.037 -0.038 0.000 0.802 137 A CB 0.357 19.330 19.000 -0.045 0.000 1.042 137 A HN 0.730 nan 8.150 nan 0.000 0.489 138 T N 1.906 116.440 114.554 -0.033 0.000 2.897 138 T HA 0.487 4.844 4.350 0.011 0.000 0.294 138 T C -0.399 174.280 174.700 -0.036 0.000 1.004 138 T CA 0.062 62.144 62.100 -0.032 0.000 1.106 138 T CB 0.313 69.164 68.868 -0.028 0.000 0.949 138 T HN 0.458 nan 8.240 nan 0.000 0.520 139 L N 3.047 124.248 121.223 -0.035 0.000 2.476 139 L HA 0.486 4.832 4.340 0.011 0.000 0.269 139 L C -0.508 176.341 176.870 -0.035 0.000 0.965 139 L CA -0.767 54.050 54.840 -0.038 0.000 0.845 139 L CB 1.861 43.898 42.059 -0.037 0.000 1.259 139 L HN 0.567 nan 8.230 nan 0.000 0.403 140 K N 5.517 125.887 120.400 -0.051 0.000 2.227 140 K HA 0.483 4.810 4.320 0.011 0.000 0.280 140 K C -0.815 175.757 176.600 -0.047 0.000 1.041 140 K CA -0.500 55.757 56.287 -0.050 0.000 0.905 140 K CB 0.988 33.418 32.500 -0.117 0.000 1.068 140 K HN 0.568 nan 8.250 nan 0.000 0.470 141 I N 3.461 124.027 120.570 -0.008 0.000 2.325 141 I HA 0.095 4.272 4.170 0.011 0.000 0.291 141 I C 0.415 176.533 176.117 0.003 0.000 1.019 141 I CA -0.252 61.037 61.300 -0.017 0.000 1.302 141 I CB 1.727 39.709 38.000 -0.029 0.000 1.401 141 I HN 0.595 nan 8.210 nan 0.000 0.485 142 T N 6.044 120.583 114.554 -0.024 0.000 2.932 142 T HA 0.577 4.934 4.350 0.011 0.000 0.289 142 T C 0.521 175.213 174.700 -0.014 0.000 1.039 142 T CA -0.504 61.606 62.100 0.016 0.000 1.024 142 T CB 1.219 70.064 68.868 -0.040 0.000 1.090 142 T HN 0.490 nan 8.240 nan 0.000 0.496 143 L N 1.491 122.739 121.223 0.042 0.000 2.766 143 L HA 0.352 4.699 4.340 0.011 0.000 0.242 143 L C 0.533 177.591 176.870 0.314 0.000 1.136 143 L CA -0.236 54.598 54.840 -0.010 0.000 0.933 143 L CB 0.343 42.370 42.059 -0.053 0.000 1.241 143 L HN 0.553 nan 8.230 nan 0.000 0.522 144 D N 1.123 121.753 120.400 0.385 0.000 2.363 144 D HA -0.048 4.599 4.640 0.011 0.000 0.263 144 D C 0.871 177.466 176.300 0.492 0.000 1.258 144 D CA 0.456 54.698 54.000 0.403 0.000 0.907 144 D CB 0.469 41.501 40.800 0.387 0.000 1.107 144 D HN 0.149 nan 8.370 nan 0.000 0.495 145 N N 2.722 121.622 118.700 0.333 0.000 2.430 145 N HA -0.182 4.565 4.740 0.011 0.000 0.186 145 N C 1.438 176.865 175.510 -0.137 0.000 1.032 145 N CA 0.580 53.666 53.050 0.060 0.000 0.893 145 N CB 0.150 38.677 38.487 0.066 0.000 0.957 145 N HN 0.490 nan 8.380 nan 0.000 0.442 146 A N 0.157 122.939 122.820 -0.064 0.000 2.076 146 A HA -0.147 4.180 4.320 0.011 0.000 0.220 146 A C 1.045 178.399 177.584 -0.382 0.000 1.160 146 A CA 1.131 53.026 52.037 -0.237 0.000 0.653 146 A CB -0.413 18.410 19.000 -0.294 0.000 0.801 146 A HN 0.388 nan 8.150 nan 0.000 0.455 147 Y N -0.491 119.742 120.300 -0.111 0.000 2.458 147 Y HA 0.150 4.706 4.550 0.011 0.000 0.256 147 Y C 2.177 177.921 175.900 -0.260 0.000 1.159 147 Y CA 0.332 58.380 58.100 -0.087 0.000 1.261 147 Y CB -0.319 38.190 38.460 0.080 0.000 1.119 147 Y HN 0.470 nan 8.280 nan 0.000 0.524 148 M N -0.792 118.455 119.600 -0.589 0.000 2.358 148 M HA -0.108 4.379 4.480 0.011 0.000 0.264 148 M C 0.194 176.215 176.300 -0.466 0.000 1.064 148 M CA 2.007 56.629 55.300 -1.131 0.000 1.093 148 M CB -0.121 31.396 32.600 -1.804 0.000 1.401 148 M HN 0.151 nan 8.290 nan 0.000 0.440 149 E N 0.688 120.728 120.200 -0.266 0.000 2.734 149 E HA 0.211 4.567 4.350 0.011 0.000 0.211 149 E C -0.419 176.149 176.600 -0.053 0.000 0.991 149 E CA -0.074 56.248 56.400 -0.130 0.000 1.065 149 E CB 0.629 30.250 29.700 -0.132 0.000 1.047 149 E HN 0.538 nan 8.360 nan 0.000 0.470 150 K N 0.691 121.088 120.400 -0.004 0.000 2.972 150 K HA 0.248 4.575 4.320 0.011 0.000 0.209 150 K C -0.630 176.066 176.600 0.160 0.000 1.128 150 K CA -0.291 56.032 56.287 0.062 0.000 1.024 150 K CB 0.566 33.077 32.500 0.018 0.000 0.754 150 K HN 0.025 nan 8.250 nan 0.000 0.454 151 C N 2.582 121.965 119.300 0.138 0.000 2.644 151 C HA 0.219 4.686 4.460 0.011 0.000 0.417 151 C C 0.606 175.658 174.990 0.103 0.000 1.304 151 C CA -0.199 58.906 59.018 0.146 0.000 2.035 151 C CB -0.443 27.389 27.740 0.153 0.000 2.673 151 C HN 0.691 nan 8.230 nan 0.000 0.602 152 D N 0.621 121.071 120.400 0.082 0.000 2.921 152 D HA 0.137 4.784 4.640 0.011 0.000 0.329 152 D C 0.526 176.846 176.300 0.033 0.000 1.293 152 D CA -0.555 53.480 54.000 0.058 0.000 0.964 152 D CB 0.013 40.848 40.800 0.058 0.000 1.435 152 D HN 0.497 nan 8.370 nan 0.000 0.548 153 E N -0.175 120.036 120.200 0.019 0.000 2.478 153 E HA -0.096 4.261 4.350 0.011 0.000 0.198 153 E C -0.045 176.545 176.600 -0.015 0.000 1.046 153 E CA 0.745 57.142 56.400 -0.004 0.000 0.870 153 E CB -0.321 29.372 29.700 -0.013 0.000 0.818 153 E HN 0.351 nan 8.360 nan 0.000 0.527 154 N N 0.397 119.089 118.700 -0.013 0.000 2.463 154 N HA 0.207 4.953 4.740 0.011 0.000 0.183 154 N C 0.253 175.726 175.510 -0.063 0.000 1.064 154 N CA 0.143 53.172 53.050 -0.034 0.000 0.879 154 N CB 1.426 39.897 38.487 -0.027 0.000 1.148 154 N HN 0.213 nan 8.380 nan 0.000 0.451 155 I N 0.986 121.519 120.570 -0.061 0.000 2.571 155 I HA 0.323 4.499 4.170 0.011 0.000 0.289 155 I C -1.947 174.147 176.117 -0.038 0.000 1.115 155 I CA -0.875 60.350 61.300 -0.125 0.000 1.045 155 I CB 1.808 39.615 38.000 -0.322 0.000 1.238 155 I HN -0.243 nan 8.210 nan 0.000 0.424 156 L N 8.564 129.778 121.223 -0.016 0.000 2.325 156 L HA 0.540 4.887 4.340 0.011 0.000 0.281 156 L C -1.563 175.380 176.870 0.122 0.000 1.004 156 L CA -0.113 54.768 54.840 0.068 0.000 0.823 156 L CB 1.345 43.428 42.059 0.040 0.000 1.236 156 L HN 0.727 nan 8.230 nan 0.000 0.415 157 W N 7.342 128.654 121.300 0.021 0.000 2.376 157 W HA 0.602 5.269 4.660 0.011 0.000 0.322 157 W C -1.301 175.249 176.519 0.052 0.000 1.160 157 W CA -0.489 56.884 57.345 0.047 0.000 1.218 157 W CB 1.171 30.690 29.460 0.098 0.000 1.205 157 W HN 0.546 nan 8.180 nan 0.000 0.559 158 L N 2.657 123.460 121.223 -0.700 0.000 2.341 158 L HA 0.603 4.950 4.340 0.011 0.000 0.254 158 L C 0.111 176.124 176.870 -1.429 0.000 1.040 158 L CA -0.817 53.557 54.840 -0.776 0.000 0.837 158 L CB 1.506 43.395 42.059 -0.285 0.000 1.425 158 L HN 0.490 nan 8.230 nan 0.000 0.414 159 D N -1.488 118.424 120.400 -0.813 0.000 2.340 159 D HA 0.022 4.669 4.640 0.011 0.000 0.217 159 D C -0.052 176.154 176.300 -0.156 0.000 1.081 159 D CA 0.195 53.867 54.000 -0.546 0.000 0.842 159 D CB -0.192 40.561 40.800 -0.078 0.000 0.934 159 D HN 0.478 nan 8.370 nan 0.000 0.511 160 Y N 2.422 122.544 120.300 -0.297 0.000 2.595 160 Y HA 0.286 4.843 4.550 0.011 0.000 0.347 160 Y C 0.892 176.691 175.900 -0.168 0.000 1.025 160 Y CA -1.412 56.579 58.100 -0.182 0.000 1.295 160 Y CB 0.714 39.081 38.460 -0.155 0.000 1.147 160 Y HN -0.303 nan 8.280 nan 0.000 0.515 161 K N 2.880 123.241 120.400 -0.065 0.000 2.211 161 K HA -0.081 4.246 4.320 0.011 0.000 0.203 161 K C 0.510 176.928 176.600 -0.303 0.000 1.050 161 K CA 0.791 56.983 56.287 -0.158 0.000 0.945 161 K CB 0.149 32.629 32.500 -0.034 0.000 0.732 161 K HN 0.573 nan 8.250 nan 0.000 0.451 162 N N 0.989 119.377 118.700 -0.520 0.000 2.268 162 N HA 0.072 4.819 4.740 0.011 0.000 0.204 162 N C 1.326 176.337 175.510 -0.831 0.000 1.124 162 N CA -0.036 52.703 53.050 -0.518 0.000 0.838 162 N CB 0.117 38.470 38.487 -0.222 0.000 0.994 162 N HN 0.171 nan 8.380 nan 0.000 0.489 163 I N 0.007 119.891 120.570 -1.143 0.000 2.194 163 I HA -0.363 3.813 4.170 0.011 0.000 0.246 163 I C 1.262 177.161 176.117 -0.363 0.000 1.093 163 I CA 1.259 62.069 61.300 -0.818 0.000 1.355 163 I CB 0.121 37.830 38.000 -0.485 0.000 1.046 163 I HN 0.141 nan 8.210 nan 0.000 0.413 164 C N 0.542 119.662 119.300 -0.299 0.000 2.432 164 C HA -0.102 4.365 4.460 0.011 0.000 0.282 164 C C 2.441 177.331 174.990 -0.166 0.000 1.388 164 C CA 0.618 59.513 59.018 -0.205 0.000 1.777 164 C CB -1.201 26.417 27.740 -0.203 0.000 1.882 164 C HN 0.427 nan 8.230 nan 0.000 0.520 165 K N 0.917 121.213 120.400 -0.173 0.000 2.296 165 K HA -0.013 4.313 4.320 0.011 0.000 0.200 165 K C 1.693 178.248 176.600 -0.075 0.000 1.048 165 K CA 0.926 57.146 56.287 -0.112 0.000 0.966 165 K CB 0.021 32.462 32.500 -0.099 0.000 0.754 165 K HN 0.564 nan 8.250 nan 0.000 0.466 166 V N -2.769 117.101 119.914 -0.073 0.000 3.645 166 V HA 0.238 4.365 4.120 0.011 0.000 0.275 166 V C 0.488 176.575 176.094 -0.012 0.000 1.356 166 V CA -0.393 61.899 62.300 -0.012 0.000 1.051 166 V CB -0.079 31.782 31.823 0.064 0.000 0.828 166 V HN -0.079 nan 8.190 nan 0.000 0.441 167 V N -1.487 118.403 119.914 -0.041 0.000 2.975 167 V HA 0.749 4.876 4.120 0.011 0.000 0.318 167 V C -0.899 175.166 176.094 -0.049 0.000 1.077 167 V CA -0.524 61.755 62.300 -0.036 0.000 1.000 167 V CB 1.837 33.636 31.823 -0.039 0.000 1.066 167 V HN 0.316 nan 8.190 nan 0.000 0.452 168 D N 0.410 120.785 120.400 -0.041 0.000 2.477 168 D HA 0.461 5.108 4.640 0.011 0.000 0.234 168 D C -0.711 175.563 176.300 -0.044 0.000 1.048 168 D CA -0.444 53.529 54.000 -0.044 0.000 0.959 168 D CB 2.391 43.172 40.800 -0.033 0.000 1.408 168 D HN 0.527 nan 8.370 nan 0.000 0.496 169 V N 0.834 120.721 119.914 -0.045 0.000 2.617 169 V HA 0.294 4.421 4.120 0.011 0.000 0.304 169 V C 1.553 177.628 176.094 -0.032 0.000 1.040 169 V CA 1.860 64.136 62.300 -0.039 0.000 1.149 169 V CB 0.363 32.165 31.823 -0.036 0.000 0.914 169 V HN 1.023 nan 8.190 nan 0.000 0.487 170 G N 3.819 112.600 108.800 -0.032 0.000 2.234 170 G HA2 -0.243 3.724 3.960 0.011 0.000 0.235 170 G HA3 -0.243 3.724 3.960 0.011 0.000 0.235 170 G C 0.466 175.349 174.900 -0.029 0.000 0.997 170 G CA 0.108 45.191 45.100 -0.028 0.000 0.623 170 G HN 0.758 nan 8.290 nan 0.000 0.514 171 S N 2.012 117.694 115.700 -0.030 0.000 2.563 171 S HA 0.421 4.898 4.470 0.011 0.000 0.284 171 S C 0.456 175.029 174.600 -0.045 0.000 1.331 171 S CA 0.130 58.315 58.200 -0.025 0.000 1.047 171 S CB 0.834 64.020 63.200 -0.023 0.000 0.859 171 S HN 0.379 nan 8.310 nan 0.000 0.514 172 K N 2.092 122.470 120.400 -0.037 0.000 2.156 172 K HA 0.468 4.795 4.320 0.011 0.000 0.271 172 K C -0.843 175.678 176.600 -0.133 0.000 0.995 172 K CA -0.501 55.709 56.287 -0.130 0.000 0.890 172 K CB 1.358 33.786 32.500 -0.119 0.000 1.073 172 K HN 0.314 nan 8.250 nan 0.000 0.454 173 V N 4.140 123.904 119.914 -0.250 0.000 2.409 173 V HA 0.309 4.436 4.120 0.011 0.000 0.291 173 V C -0.982 174.936 176.094 -0.295 0.000 1.020 173 V CA -0.941 61.270 62.300 -0.148 0.000 0.848 173 V CB 0.693 32.466 31.823 -0.084 0.000 0.990 173 V HN 0.537 nan 8.190 nan 0.000 0.430 174 Y N 3.142 123.450 120.300 0.012 0.000 2.361 174 Y HA 0.727 5.284 4.550 0.012 0.000 0.332 174 Y C 0.131 176.047 175.900 0.025 0.000 1.101 174 Y CA -0.736 57.376 58.100 0.020 0.000 1.137 174 Y CB 2.018 40.494 38.460 0.025 0.000 1.207 174 Y HN 0.376 nan 8.280 nan 0.000 0.463 175 V N 1.919 121.929 119.914 0.159 0.000 2.789 175 V HA 0.334 4.461 4.120 0.011 0.000 0.311 175 V C -0.921 175.247 176.094 0.124 0.000 1.073 175 V CA -1.237 61.132 62.300 0.115 0.000 0.921 175 V CB 1.758 33.621 31.823 0.067 0.000 1.009 175 V HN 0.825 nan 8.190 nan 0.000 0.426 176 D N 3.547 124.015 120.400 0.115 0.000 3.437 176 D HA -0.167 4.480 4.640 0.011 0.000 0.243 176 D C 0.342 176.707 176.300 0.108 0.000 1.104 176 D CA 1.305 55.370 54.000 0.108 0.000 1.009 176 D CB -0.918 39.943 40.800 0.102 0.000 0.937 176 D HN 1.054 nan 8.370 nan 0.000 0.417 177 D N 1.530 121.993 120.400 0.105 0.000 2.751 177 D HA -0.168 4.479 4.640 0.011 0.000 0.233 177 D C 1.140 177.490 176.300 0.083 0.000 1.149 177 D CA 2.998 57.050 54.000 0.088 0.000 0.682 177 D CB -1.224 39.622 40.800 0.077 0.000 1.068 177 D HN 1.503 nan 8.370 nan 0.000 0.429 178 G N -1.449 107.422 108.800 0.117 0.000 2.168 178 G HA2 -0.352 3.615 3.960 0.011 0.000 0.257 178 G HA3 -0.352 3.615 3.960 0.011 0.000 0.257 178 G C 1.097 176.114 174.900 0.196 0.000 0.997 178 G CA 0.600 45.789 45.100 0.148 0.000 0.708 178 G HN 0.567 nan 8.290 nan 0.000 0.520 179 L N -0.909 120.405 121.223 0.152 0.000 2.209 179 L HA 0.355 4.702 4.340 0.011 0.000 0.207 179 L C 1.544 178.487 176.870 0.122 0.000 1.094 179 L CA 0.642 55.557 54.840 0.124 0.000 0.790 179 L CB 0.030 42.149 42.059 0.100 0.000 0.932 179 L HN 0.294 nan 8.230 nan 0.000 0.447 180 I N -1.011 119.630 120.570 0.119 0.000 2.412 180 I HA 0.192 4.369 4.170 0.011 0.000 0.296 180 I C 0.009 176.145 176.117 0.032 0.000 0.987 180 I CA -0.101 61.236 61.300 0.062 0.000 1.180 180 I CB 1.947 39.969 38.000 0.036 0.000 1.340 180 I HN -0.134 nan 8.210 nan 0.000 0.455 181 S N 6.742 122.402 115.700 -0.067 0.000 2.521 181 S HA 0.798 5.275 4.470 0.011 0.000 0.295 181 S C -1.011 173.454 174.600 -0.225 0.000 1.098 181 S CA -0.578 57.451 58.200 -0.286 0.000 0.999 181 S CB 0.900 63.918 63.200 -0.304 0.000 1.034 181 S HN 0.453 nan 8.310 nan 0.000 0.483 182 L N 3.183 124.241 121.223 -0.274 0.000 2.354 182 L HA 0.637 4.984 4.340 0.011 0.000 0.264 182 L C -0.359 176.405 176.870 -0.177 0.000 1.008 182 L CA -0.791 53.947 54.840 -0.170 0.000 0.819 182 L CB 2.091 44.078 42.059 -0.120 0.000 1.339 182 L HN 0.604 nan 8.230 nan 0.000 0.420 183 Q N 1.081 120.812 119.800 -0.115 0.000 2.331 183 Q HA 0.461 4.808 4.340 0.011 0.000 0.267 183 Q C -1.231 174.730 176.000 -0.065 0.000 1.006 183 Q CA -0.739 55.009 55.803 -0.091 0.000 0.818 183 Q CB 2.392 31.088 28.738 -0.070 0.000 1.276 183 Q HN 0.484 nan 8.270 nan 0.000 0.450 184 V N 5.237 125.116 119.914 -0.059 0.000 2.529 184 V HA -0.026 4.101 4.120 0.011 0.000 0.292 184 V C 0.781 176.854 176.094 -0.036 0.000 1.028 184 V CA 0.466 62.739 62.300 -0.045 0.000 1.074 184 V CB 0.780 32.575 31.823 -0.048 0.000 0.958 184 V HN 0.810 nan 8.190 nan 0.000 0.481 185 K N 2.956 123.340 120.400 -0.026 0.000 2.306 185 K HA 0.249 4.576 4.320 0.011 0.000 0.200 185 K C 0.280 176.872 176.600 -0.014 0.000 1.083 185 K CA 0.630 56.906 56.287 -0.018 0.000 0.959 185 K CB 0.526 33.019 32.500 -0.012 0.000 0.994 185 K HN 0.765 nan 8.250 nan 0.000 0.492 186 Q N 0.354 120.149 119.800 -0.007 0.000 2.359 186 Q HA 0.402 4.749 4.340 0.011 0.000 0.274 186 Q C -1.214 174.755 176.000 -0.051 0.000 1.074 186 Q CA -0.591 55.205 55.803 -0.012 0.000 0.810 186 Q CB 2.822 31.580 28.738 0.034 0.000 1.342 186 Q HN -0.187 nan 8.270 nan 0.000 0.427 187 K N 0.833 121.165 120.400 -0.113 0.000 2.235 187 K HA 0.601 4.928 4.320 0.011 0.000 0.266 187 K C -0.269 176.089 176.600 -0.403 0.000 0.980 187 K CA -0.481 55.671 56.287 -0.225 0.000 0.849 187 K CB 1.695 34.086 32.500 -0.181 0.000 1.098 187 K HN 0.743 nan 8.250 nan 0.000 0.445 188 G N 1.941 110.215 108.800 -0.877 0.000 2.552 188 G HA2 0.248 4.215 3.960 0.011 0.000 0.318 188 G HA3 0.248 4.215 3.960 0.011 0.000 0.318 188 G C -1.563 172.885 174.900 -0.755 0.000 1.240 188 G CA -1.237 43.057 45.100 -1.342 0.000 1.002 188 G HN 0.327 nan 8.290 nan 0.000 0.493 189 P HA -0.050 nan 4.420 nan 0.000 0.216 189 P C 0.183 177.357 177.300 -0.209 0.000 1.150 189 P CA 1.687 64.642 63.100 -0.241 0.000 0.837 189 P CB 0.209 31.845 31.700 -0.107 0.000 0.786 190 D N -2.255 118.027 120.400 -0.198 0.000 2.651 190 D HA 0.196 4.842 4.640 0.011 0.000 0.280 190 D C 0.053 176.383 176.300 0.049 0.000 1.496 190 D CA -0.680 53.286 54.000 -0.057 0.000 0.792 190 D CB -0.748 40.078 40.800 0.044 0.000 1.144 190 D HN 0.240 nan 8.370 nan 0.000 0.470 191 F N -1.257 118.654 119.950 -0.065 0.000 2.685 191 F HA 0.749 5.283 4.527 0.011 0.000 0.315 191 F C -1.988 173.766 175.800 -0.076 0.000 1.126 191 F CA -1.544 56.412 58.000 -0.073 0.000 0.950 191 F CB 1.404 40.367 39.000 -0.062 0.000 1.360 191 F HN -0.249 nan 8.300 nan 0.000 0.469 192 L N 2.634 123.959 121.223 0.170 0.000 2.406 192 L HA 0.613 4.960 4.340 0.011 0.000 0.272 192 L C -1.135 175.815 176.870 0.133 0.000 0.980 192 L CA -1.165 53.714 54.840 0.064 0.000 0.831 192 L CB 2.090 44.136 42.059 -0.022 0.000 1.253 192 L HN 0.570 nan 8.230 nan 0.000 0.406 193 V N 1.791 121.784 119.914 0.131 0.000 2.406 193 V HA 0.498 4.625 4.120 0.011 0.000 0.272 193 V C 0.514 176.619 176.094 0.019 0.000 1.043 193 V CA -0.243 62.105 62.300 0.081 0.000 0.915 193 V CB 1.342 33.224 31.823 0.098 0.000 0.988 193 V HN 0.896 nan 8.190 nan 0.000 0.466 194 T N 1.372 115.924 114.554 -0.004 0.000 2.930 194 T HA 0.695 5.051 4.350 0.011 0.000 0.290 194 T C -0.752 173.929 174.700 -0.031 0.000 1.052 194 T CA -0.813 61.272 62.100 -0.026 0.000 1.017 194 T CB 2.385 71.228 68.868 -0.041 0.000 1.137 194 T HN 0.665 nan 8.240 nan 0.000 0.511 195 E N 0.860 121.036 120.200 -0.041 0.000 2.183 195 E HA 0.525 4.882 4.350 0.011 0.000 0.271 195 E C -0.946 175.621 176.600 -0.055 0.000 0.919 195 E CA -1.016 55.359 56.400 -0.042 0.000 0.781 195 E CB 1.769 31.447 29.700 -0.036 0.000 1.140 195 E HN 0.564 nan 8.360 nan 0.000 0.402 196 V N 4.997 124.878 119.914 -0.054 0.000 2.450 196 V HA -0.038 4.088 4.120 0.011 0.000 0.281 196 V C 1.216 177.276 176.094 -0.058 0.000 1.019 196 V CA 0.623 62.886 62.300 -0.061 0.000 1.062 196 V CB 0.810 32.597 31.823 -0.061 0.000 0.979 196 V HN 0.864 nan 8.190 nan 0.000 0.477 197 E N 4.402 124.561 120.200 -0.069 0.000 2.065 197 E HA 0.016 4.373 4.350 0.011 0.000 0.191 197 E C 0.352 176.929 176.600 -0.039 0.000 0.960 197 E CA 0.281 56.647 56.400 -0.056 0.000 0.824 197 E CB 0.358 30.012 29.700 -0.077 0.000 0.793 197 E HN 0.708 nan 8.360 nan 0.000 0.459 198 N N 0.930 119.606 118.700 -0.039 0.000 2.476 198 N HA 0.252 4.999 4.740 0.011 0.000 0.257 198 N C -0.406 175.091 175.510 -0.022 0.000 0.970 198 N CA -0.078 52.965 53.050 -0.012 0.000 0.938 198 N CB 1.665 40.167 38.487 0.026 0.000 1.144 198 N HN 0.166 nan 8.380 nan 0.000 0.500 199 G N -0.050 108.731 108.800 -0.032 0.000 2.580 199 G HA2 0.697 4.664 3.960 0.011 0.000 0.278 199 G HA3 0.697 4.664 3.960 0.011 0.000 0.278 199 G C 0.117 174.983 174.900 -0.057 0.000 1.212 199 G CA -0.230 44.832 45.100 -0.063 0.000 0.939 199 G HN 0.627 nan 8.290 nan 0.000 0.513 200 G N -1.968 106.758 108.800 -0.123 0.000 2.313 200 G HA2 0.412 4.379 3.960 0.011 0.000 0.296 200 G HA3 0.412 4.379 3.960 0.011 0.000 0.296 200 G C -1.500 173.279 174.900 -0.201 0.000 1.356 200 G CA -1.062 43.981 45.100 -0.095 0.000 0.833 200 G HN 0.470 nan 8.290 nan 0.000 0.552 201 F N -0.086 119.880 119.950 0.027 0.000 2.404 201 F HA 0.646 5.180 4.527 0.011 0.000 0.345 201 F C 0.428 176.247 175.800 0.033 0.000 1.110 201 F CA -0.514 57.502 58.000 0.027 0.000 1.130 201 F CB 1.844 40.859 39.000 0.025 0.000 1.129 201 F HN 0.364 nan 8.300 nan 0.000 0.500 202 L N 3.737 125.068 121.223 0.180 0.000 2.305 202 L HA 0.785 5.132 4.340 0.011 0.000 0.284 202 L C -0.033 176.913 176.870 0.127 0.000 1.013 202 L CA 0.062 54.977 54.840 0.124 0.000 0.819 202 L CB 0.974 43.079 42.059 0.076 0.000 1.227 202 L HN 0.626 nan 8.230 nan 0.000 0.417 203 G N 2.519 111.386 108.800 0.112 0.000 2.641 203 G HA2 0.519 4.486 3.960 0.011 0.000 0.239 203 G HA3 0.519 4.486 3.960 0.011 0.000 0.239 203 G C -0.917 174.037 174.900 0.090 0.000 1.402 203 G CA -0.616 44.540 45.100 0.093 0.000 1.046 203 G HN 0.603 nan 8.290 nan 0.000 0.565 204 S N 0.212 115.961 115.700 0.080 0.000 2.578 204 S HA 0.444 4.921 4.470 0.011 0.000 0.283 204 S C -0.249 174.413 174.600 0.103 0.000 1.195 204 S CA -0.574 57.679 58.200 0.088 0.000 1.050 204 S CB 1.346 64.586 63.200 0.067 0.000 1.012 204 S HN 0.509 nan 8.310 nan 0.000 0.511 205 K N 0.773 121.252 120.400 0.131 0.000 3.244 205 K HA -0.124 4.202 4.320 0.011 0.000 0.270 205 K C -0.811 175.876 176.600 0.145 0.000 1.016 205 K CA 0.568 56.946 56.287 0.151 0.000 0.754 205 K CB -1.054 31.532 32.500 0.144 0.000 1.326 205 K HN 0.421 nan 8.250 nan 0.000 0.465 206 K N 0.138 120.617 120.400 0.132 0.000 2.098 206 K HA 0.343 4.669 4.320 0.011 0.000 0.261 206 K C 0.925 177.596 176.600 0.118 0.000 0.987 206 K CA -0.231 56.129 56.287 0.122 0.000 0.916 206 K CB 1.034 33.599 32.500 0.109 0.000 1.039 206 K HN 0.316 nan 8.250 nan 0.000 0.455 207 G N 0.454 109.326 108.800 0.120 0.000 2.406 207 G HA2 0.357 4.324 3.960 0.011 0.000 0.251 207 G HA3 0.357 4.324 3.960 0.011 0.000 0.251 207 G C -0.580 174.378 174.900 0.097 0.000 1.271 207 G CA -0.385 44.782 45.100 0.110 0.000 0.859 207 G HN 0.218 nan 8.290 nan 0.000 0.540 208 V N 3.594 123.550 119.914 0.070 0.000 2.495 208 V HA 0.385 4.511 4.120 0.011 0.000 0.298 208 V C -0.236 175.891 176.094 0.055 0.000 1.031 208 V CA -1.060 61.281 62.300 0.068 0.000 0.871 208 V CB 1.666 33.514 31.823 0.040 0.000 0.988 208 V HN 0.751 nan 8.190 nan 0.000 0.432 209 N N 4.407 123.172 118.700 0.109 0.000 2.314 209 N HA 0.602 5.348 4.740 0.011 0.000 0.304 209 N C -1.208 174.390 175.510 0.146 0.000 1.073 209 N CA -0.555 52.553 53.050 0.097 0.000 0.822 209 N CB 2.871 41.416 38.487 0.098 0.000 1.280 209 N HN 0.473 nan 8.380 nan 0.000 0.489 210 L N 2.759 124.032 121.223 0.083 0.000 2.502 210 L HA 0.334 4.681 4.340 0.011 0.000 0.247 210 L C -1.789 175.130 176.870 0.082 0.000 1.180 210 L CA -1.451 53.448 54.840 0.098 0.000 0.956 210 L CB 1.296 43.396 42.059 0.069 0.000 1.282 210 L HN 0.245 nan 8.230 nan 0.000 0.470 211 P HA -0.124 nan 4.420 nan 0.000 0.218 211 P C 1.603 178.926 177.300 0.038 0.000 1.148 211 P CA 0.934 64.071 63.100 0.061 0.000 0.822 211 P CB 0.336 32.066 31.700 0.050 0.000 0.784 212 G N -1.225 107.606 108.800 0.052 0.000 2.744 212 G HA2 0.197 4.163 3.960 0.011 0.000 0.211 212 G HA3 0.197 4.163 3.960 0.011 0.000 0.211 212 G C 0.480 175.386 174.900 0.010 0.000 1.143 212 G CA 0.399 45.510 45.100 0.019 0.000 0.788 212 G HN 0.453 nan 8.290 nan 0.000 0.534 213 A N -0.262 122.571 122.820 0.022 0.000 2.340 213 A HA 0.777 5.104 4.320 0.011 0.000 0.331 213 A C 0.206 177.802 177.584 0.020 0.000 1.140 213 A CA -0.093 51.958 52.037 0.024 0.000 0.801 213 A CB 1.425 20.452 19.000 0.045 0.000 1.234 213 A HN 0.720 nan 8.150 nan 0.000 0.469 214 A N 2.279 125.112 122.820 0.022 0.000 2.922 214 A HA 0.505 4.832 4.320 0.011 0.000 0.298 214 A C 0.109 177.711 177.584 0.029 0.000 1.588 214 A CA -0.258 51.791 52.037 0.019 0.000 1.288 214 A CB -0.972 18.039 19.000 0.018 0.000 1.130 214 A HN 0.901 nan 8.150 nan 0.000 0.557 215 V N 2.881 122.796 119.914 0.001 0.000 2.599 215 V HA 0.004 4.130 4.120 0.011 0.000 0.300 215 V C 0.919 176.990 176.094 -0.038 0.000 1.034 215 V CA 0.870 63.151 62.300 -0.032 0.000 1.115 215 V CB 0.727 32.425 31.823 -0.209 0.000 0.934 215 V HN 0.942 nan 8.190 nan 0.000 0.485 216 D N 3.661 124.088 120.400 0.045 0.000 2.424 216 D HA 0.126 4.773 4.640 0.011 0.000 0.220 216 D C 0.275 176.584 176.300 0.014 0.000 1.150 216 D CA -0.316 53.710 54.000 0.045 0.000 0.831 216 D CB -0.060 40.792 40.800 0.087 0.000 0.981 216 D HN 0.420 nan 8.370 nan 0.000 0.500 217 L N 1.224 122.385 121.223 -0.104 0.000 2.467 217 L HA 0.233 4.579 4.340 0.011 0.000 0.270 217 L C -1.553 175.279 176.870 -0.063 0.000 1.205 217 L CA -1.450 53.323 54.840 -0.111 0.000 0.828 217 L CB -0.039 41.858 42.059 -0.269 0.000 1.101 217 L HN -0.045 nan 8.230 nan 0.000 0.479 218 P HA 0.034 nan 4.420 nan 0.000 0.271 218 P C -0.020 177.276 177.300 -0.008 0.000 1.218 218 P CA -0.269 62.826 63.100 -0.007 0.000 0.780 218 P CB 1.044 32.749 31.700 0.008 0.000 0.901 219 A N 3.184 126.008 122.820 0.007 0.000 1.933 219 A HA -0.015 4.311 4.320 0.011 0.000 0.218 219 A C 0.941 178.546 177.584 0.034 0.000 1.175 219 A CA 1.371 53.423 52.037 0.024 0.000 0.628 219 A CB -0.466 18.548 19.000 0.022 0.000 0.814 219 A HN 0.436 nan 8.150 nan 0.000 0.444 220 V N 1.319 121.249 119.914 0.027 0.000 2.357 220 V HA 0.339 4.466 4.120 0.011 0.000 0.281 220 V C 0.187 176.298 176.094 0.028 0.000 1.015 220 V CA -0.302 62.016 62.300 0.030 0.000 0.827 220 V CB 0.948 32.787 31.823 0.027 0.000 1.018 220 V HN 0.534 nan 8.190 nan 0.000 0.432 221 S N 3.200 118.919 115.700 0.031 0.000 2.634 221 S HA 0.326 4.802 4.470 0.011 0.000 0.261 221 S C 1.009 175.632 174.600 0.038 0.000 1.271 221 S CA -0.434 57.785 58.200 0.032 0.000 0.985 221 S CB 1.206 64.425 63.200 0.032 0.000 0.968 221 S HN 0.578 nan 8.310 nan 0.000 0.568 222 E N 0.949 121.172 120.200 0.038 0.000 2.085 222 E HA -0.172 4.185 4.350 0.011 0.000 0.194 222 E C 1.816 178.446 176.600 0.051 0.000 0.994 222 E CA 1.240 57.665 56.400 0.042 0.000 0.801 222 E CB -0.405 29.318 29.700 0.038 0.000 0.743 222 E HN 0.750 nan 8.360 nan 0.000 0.453 223 K N 0.782 121.214 120.400 0.054 0.000 2.026 223 K HA -0.173 4.154 4.320 0.011 0.000 0.208 223 K C 1.444 178.098 176.600 0.090 0.000 1.048 223 K CA 1.545 57.874 56.287 0.069 0.000 0.929 223 K CB 0.012 32.553 32.500 0.068 0.000 0.713 223 K HN -0.017 nan 8.250 nan 0.000 0.439 224 D N 0.911 121.353 120.400 0.069 0.000 2.144 224 D HA -0.155 4.492 4.640 0.011 0.000 0.199 224 D C 2.026 178.351 176.300 0.043 0.000 0.984 224 D CA 1.049 55.081 54.000 0.053 0.000 0.834 224 D CB -0.212 40.612 40.800 0.041 0.000 0.955 224 D HN 0.315 nan 8.370 nan 0.000 0.465 225 I N 0.887 121.487 120.570 0.050 0.000 2.179 225 I HA -0.307 3.869 4.170 0.011 0.000 0.242 225 I C 2.492 178.654 176.117 0.075 0.000 1.088 225 I CA 1.172 62.501 61.300 0.049 0.000 1.357 225 I CB -0.254 37.774 38.000 0.046 0.000 1.051 225 I HN -0.028 nan 8.210 nan 0.000 0.409 226 Q N 0.501 120.366 119.800 0.107 0.000 2.096 226 Q HA -0.246 4.100 4.340 0.011 0.000 0.204 226 Q C 1.840 177.993 176.000 0.256 0.000 0.982 226 Q CA 1.832 57.744 55.803 0.182 0.000 0.850 226 Q CB -0.171 28.666 28.738 0.166 0.000 0.901 226 Q HN 0.486 nan 8.270 nan 0.000 0.422 227 D N 0.459 120.981 120.400 0.204 0.000 2.117 227 D HA -0.114 4.533 4.640 0.011 0.000 0.198 227 D C 1.925 178.169 176.300 -0.094 0.000 0.982 227 D CA 0.918 54.966 54.000 0.081 0.000 0.828 227 D CB -0.148 40.646 40.800 -0.010 0.000 0.967 227 D HN 0.198 nan 8.370 nan 0.000 0.464 228 L N 0.521 121.707 121.223 -0.061 0.000 2.056 228 L HA -0.139 4.208 4.340 0.011 0.000 0.207 228 L C 2.365 179.213 176.870 -0.036 0.000 1.078 228 L CA 1.142 55.933 54.840 -0.082 0.000 0.749 228 L CB -0.215 41.816 42.059 -0.047 0.000 0.901 228 L HN -0.049 nan 8.230 nan 0.000 0.433 229 K N -0.619 119.799 120.400 0.029 0.000 2.057 229 K HA -0.210 4.117 4.320 0.011 0.000 0.207 229 K C 2.073 178.709 176.600 0.060 0.000 1.049 229 K CA 1.540 57.856 56.287 0.048 0.000 0.931 229 K CB -0.280 32.270 32.500 0.083 0.000 0.714 229 K HN 0.099 nan 8.250 nan 0.000 0.440 230 F N 1.431 121.329 119.950 -0.086 0.000 2.134 230 F HA -0.125 4.409 4.527 0.011 0.000 0.299 230 F C 2.084 177.794 175.800 -0.149 0.000 1.097 230 F CA 1.747 59.660 58.000 -0.147 0.000 1.264 230 F CB -0.707 38.050 39.000 -0.405 0.000 1.001 230 F HN 0.006 nan 8.300 nan 0.000 0.479 231 G N 0.094 108.791 108.800 -0.172 0.000 2.440 231 G HA2 -0.247 3.719 3.960 0.011 0.000 0.218 231 G HA3 -0.247 3.719 3.960 0.011 0.000 0.218 231 G C 1.756 176.526 174.900 -0.216 0.000 1.154 231 G CA 1.343 46.291 45.100 -0.253 0.000 0.767 231 G HN 0.354 nan 8.290 nan 0.000 0.552 232 V N 0.759 120.586 119.914 -0.145 0.000 2.295 232 V HA -0.138 3.989 4.120 0.011 0.000 0.246 232 V C 2.827 178.844 176.094 -0.128 0.000 1.049 232 V CA 2.022 64.259 62.300 -0.106 0.000 1.024 232 V CB -0.353 31.435 31.823 -0.059 0.000 0.648 232 V HN 0.294 nan 8.190 nan 0.000 0.447 233 E N -0.074 120.032 120.200 -0.156 0.000 2.110 233 E HA -0.191 4.166 4.350 0.011 0.000 0.193 233 E C 2.164 178.626 176.600 -0.231 0.000 0.988 233 E CA 0.965 57.268 56.400 -0.163 0.000 0.804 233 E CB -0.274 29.345 29.700 -0.134 0.000 0.745 233 E HN 0.586 nan 8.360 nan 0.000 0.458 234 Q N 0.481 120.057 119.800 -0.373 0.000 2.403 234 Q HA -0.027 4.320 4.340 0.011 0.000 0.203 234 Q C -0.222 175.663 176.000 -0.193 0.000 0.932 234 Q CA 0.222 55.817 55.803 -0.346 0.000 0.945 234 Q CB 0.116 28.519 28.738 -0.558 0.000 1.045 234 Q HN 0.173 nan 8.270 nan 0.000 0.511 235 D N 0.126 120.435 120.400 -0.152 0.000 2.746 235 D HA -0.145 4.502 4.640 0.011 0.000 0.236 235 D C -0.180 176.075 176.300 -0.075 0.000 1.129 235 D CA 0.593 54.539 54.000 -0.090 0.000 0.691 235 D CB -1.329 39.434 40.800 -0.061 0.000 1.077 235 D HN 0.176 nan 8.370 nan 0.000 0.432 236 V N -2.779 117.073 119.914 -0.103 0.000 3.096 236 V HA 0.235 4.362 4.120 0.011 0.000 0.306 236 V C 1.412 177.470 176.094 -0.060 0.000 1.088 236 V CA 0.476 62.723 62.300 -0.089 0.000 1.129 236 V CB 1.196 32.940 31.823 -0.132 0.000 1.014 236 V HN 0.058 nan 8.190 nan 0.000 0.486 237 D N 2.446 122.819 120.400 -0.045 0.000 2.271 237 D HA 0.173 4.820 4.640 0.011 0.000 0.206 237 D C 0.635 176.925 176.300 -0.015 0.000 0.967 237 D CA 1.482 55.477 54.000 -0.008 0.000 0.867 237 D CB 0.503 41.320 40.800 0.028 0.000 0.960 237 D HN 0.835 nan 8.370 nan 0.000 0.509 238 M N -1.437 118.120 119.600 -0.072 0.000 2.643 238 M HA 0.433 4.920 4.480 0.011 0.000 0.276 238 M C -2.027 174.163 176.300 -0.183 0.000 1.200 238 M CA -0.856 54.403 55.300 -0.069 0.000 0.863 238 M CB 2.761 35.369 32.600 0.013 0.000 1.711 238 M HN -0.424 nan 8.290 nan 0.000 0.492 239 V N 2.473 122.328 119.914 -0.099 0.000 2.495 239 V HA 0.574 4.701 4.120 0.011 0.000 0.298 239 V C -1.292 174.860 176.094 0.096 0.000 1.031 239 V CA -0.377 61.852 62.300 -0.118 0.000 0.871 239 V CB 1.887 33.668 31.823 -0.071 0.000 0.988 239 V HN 0.678 nan 8.190 nan 0.000 0.432 240 F N 3.458 123.379 119.950 -0.048 0.000 2.350 240 F HA 0.651 5.186 4.527 0.012 0.000 0.365 240 F C 0.686 176.452 175.800 -0.057 0.000 1.122 240 F CA -1.577 56.394 58.000 -0.049 0.000 1.139 240 F CB 0.938 39.915 39.000 -0.038 0.000 1.220 240 F HN 0.506 nan 8.300 nan 0.000 0.499 241 A N 2.797 125.689 122.820 0.119 0.000 2.269 241 A HA 0.552 4.879 4.320 0.011 0.000 0.302 241 A C 0.358 177.944 177.584 0.004 0.000 1.266 241 A CA -0.383 51.680 52.037 0.044 0.000 0.894 241 A CB 0.053 19.068 19.000 0.024 0.000 1.147 241 A HN 0.597 nan 8.150 nan 0.000 0.537 242 S N 1.383 117.079 115.700 -0.006 0.000 2.565 242 S HA 0.437 4.914 4.470 0.011 0.000 0.276 242 S C -0.116 174.478 174.600 -0.010 0.000 1.326 242 S CA -0.027 58.093 58.200 -0.134 0.000 1.045 242 S CB -0.304 62.824 63.200 -0.121 0.000 0.918 242 S HN 0.798 nan 8.310 nan 0.000 0.505 243 F N -0.285 119.666 119.950 0.001 0.000 3.074 243 F HA -0.158 4.376 4.527 0.012 0.000 0.287 243 F C 0.166 175.957 175.800 -0.015 0.000 0.932 243 F CA -0.273 57.721 58.000 -0.010 0.000 0.995 243 F CB -1.729 37.258 39.000 -0.020 0.000 0.966 243 F HN 0.385 nan 8.300 nan 0.000 0.721 244 I N 1.025 121.641 120.570 0.077 0.000 2.533 244 I HA 0.022 4.198 4.170 0.011 0.000 0.284 244 I C 1.496 177.638 176.117 0.040 0.000 1.109 244 I CA 0.580 61.903 61.300 0.038 0.000 1.412 244 I CB 0.978 38.972 38.000 -0.010 0.000 1.396 244 I HN 0.362 nan 8.210 nan 0.000 0.543 245 R N 5.031 125.549 120.500 0.029 0.000 2.344 245 R HA 0.167 4.514 4.340 0.011 0.000 0.209 245 R C -0.092 176.205 176.300 -0.005 0.000 0.886 245 R CA 0.209 56.324 56.100 0.026 0.000 1.040 245 R CB 0.650 30.971 30.300 0.035 0.000 1.114 245 R HN 0.635 nan 8.270 nan 0.000 0.547 246 K N -2.465 117.915 120.400 -0.034 0.000 2.615 246 K HA 0.460 4.786 4.320 0.011 0.000 0.291 246 K C -0.093 176.433 176.600 -0.123 0.000 1.017 246 K CA -0.288 55.962 56.287 -0.061 0.000 0.882 246 K CB 1.025 33.504 32.500 -0.035 0.000 1.522 246 K HN -0.163 nan 8.250 nan 0.000 0.412 247 A N 0.943 123.666 122.820 -0.161 0.000 1.940 247 A HA -0.128 4.199 4.320 0.011 0.000 0.219 247 A C 2.244 179.544 177.584 -0.474 0.000 1.176 247 A CA 2.438 54.280 52.037 -0.324 0.000 0.631 247 A CB -1.127 17.726 19.000 -0.244 0.000 0.814 247 A HN 0.851 nan 8.150 nan 0.000 0.446 248 A N 0.008 122.719 122.820 -0.182 0.000 1.978 248 A HA -0.211 4.116 4.320 0.011 0.000 0.220 248 A C 1.698 179.248 177.584 -0.057 0.000 1.170 248 A CA 1.979 53.994 52.037 -0.037 0.000 0.636 248 A CB -0.556 18.466 19.000 0.036 0.000 0.810 248 A HN 0.491 nan 8.150 nan 0.000 0.448 249 D N -0.300 120.050 120.400 -0.084 0.000 2.117 249 D HA -0.083 4.564 4.640 0.011 0.000 0.198 249 D C 2.075 178.337 176.300 -0.063 0.000 0.982 249 D CA 1.414 55.386 54.000 -0.046 0.000 0.828 249 D CB -0.445 40.337 40.800 -0.030 0.000 0.967 249 D HN 0.260 nan 8.370 nan 0.000 0.464 250 V N 0.779 120.602 119.914 -0.151 0.000 2.295 250 V HA -0.247 3.880 4.120 0.011 0.000 0.246 250 V C 1.999 178.055 176.094 -0.064 0.000 1.049 250 V CA 1.709 63.924 62.300 -0.140 0.000 1.024 250 V CB -0.850 30.840 31.823 -0.223 0.000 0.648 250 V HN 0.324 nan 8.190 nan 0.000 0.447 251 H N -0.144 118.920 119.070 -0.011 0.000 2.387 251 H HA -0.204 4.359 4.556 0.011 0.000 0.299 251 H C 2.401 177.727 175.328 -0.003 0.000 1.099 251 H CA 1.505 57.548 56.048 -0.009 0.000 1.315 251 H CB 0.116 29.872 29.762 -0.010 0.000 1.380 251 H HN 0.458 nan 8.280 nan 0.000 0.513 252 E N 1.047 121.309 120.200 0.103 0.000 2.072 252 E HA -0.120 4.237 4.350 0.011 0.000 0.191 252 E C 2.198 178.823 176.600 0.042 0.000 0.985 252 E CA 1.064 57.501 56.400 0.061 0.000 0.801 252 E CB -0.305 29.420 29.700 0.042 0.000 0.750 252 E HN 0.212 nan 8.360 nan 0.000 0.452 253 V N 0.784 120.715 119.914 0.029 0.000 2.287 253 V HA -0.272 3.855 4.120 0.011 0.000 0.248 253 V C 2.592 178.699 176.094 0.023 0.000 1.053 253 V CA 2.177 64.488 62.300 0.018 0.000 1.027 253 V CB -0.664 31.163 31.823 0.006 0.000 0.646 253 V HN 0.231 nan 8.190 nan 0.000 0.447 254 R N 0.635 121.158 120.500 0.039 0.000 2.091 254 R HA -0.198 4.149 4.340 0.011 0.000 0.238 254 R C 2.325 178.645 176.300 0.033 0.000 1.136 254 R CA 2.016 58.142 56.100 0.043 0.000 0.959 254 R CB -0.493 29.851 30.300 0.074 0.000 0.856 254 R HN 0.510 nan 8.270 nan 0.000 0.437 255 K N -0.219 120.204 120.400 0.039 0.000 2.057 255 K HA -0.094 4.233 4.320 0.011 0.000 0.206 255 K C 1.800 178.412 176.600 0.020 0.000 1.050 255 K CA 1.343 57.646 56.287 0.027 0.000 0.935 255 K CB -0.007 32.511 32.500 0.031 0.000 0.715 255 K HN 0.138 nan 8.250 nan 0.000 0.439 256 I N 1.677 122.259 120.570 0.020 0.000 2.179 256 I HA -0.260 3.917 4.170 0.011 0.000 0.242 256 I C 2.267 178.389 176.117 0.009 0.000 1.088 256 I CA 1.260 62.570 61.300 0.016 0.000 1.357 256 I CB -1.026 36.983 38.000 0.015 0.000 1.051 256 I HN 0.242 nan 8.210 nan 0.000 0.409 257 L N 0.275 121.500 121.223 0.003 0.000 2.127 257 L HA -0.071 4.275 4.340 0.011 0.000 0.211 257 L C 1.597 178.467 176.870 0.000 0.000 1.089 257 L CA 0.931 55.769 54.840 -0.005 0.000 0.757 257 L CB -1.088 40.966 42.059 -0.008 0.000 0.899 257 L HN 0.491 nan 8.230 nan 0.000 0.434 258 G N 0.262 109.065 108.800 0.006 0.000 2.641 258 G HA2 -0.427 3.540 3.960 0.011 0.000 0.254 258 G HA3 -0.427 3.540 3.960 0.011 0.000 0.254 258 G C 0.500 175.403 174.900 0.005 0.000 1.315 258 G CA 0.605 45.709 45.100 0.007 0.000 0.907 258 G HN 0.311 nan 8.290 nan 0.000 0.572 259 E N -0.081 120.122 120.200 0.004 0.000 2.072 259 E HA -0.074 4.282 4.350 0.011 0.000 0.191 259 E C 2.418 179.019 176.600 0.002 0.000 0.985 259 E CA 2.124 58.526 56.400 0.003 0.000 0.801 259 E CB -0.244 29.457 29.700 0.003 0.000 0.750 259 E HN 0.577 nan 8.360 nan 0.000 0.452 260 K N -0.974 119.425 120.400 -0.001 0.000 2.103 260 K HA -0.076 4.251 4.320 0.011 0.000 0.207 260 K C 1.514 178.108 176.600 -0.008 0.000 1.048 260 K CA 1.402 57.686 56.287 -0.005 0.000 0.930 260 K CB -0.313 32.183 32.500 -0.008 0.000 0.716 260 K HN 0.236 nan 8.250 nan 0.000 0.444 261 G N 0.970 109.766 108.800 -0.008 0.000 3.434 261 G HA2 -0.036 3.931 3.960 0.011 0.000 0.258 261 G HA3 -0.036 3.931 3.960 0.011 0.000 0.258 261 G C 0.812 175.711 174.900 -0.001 0.000 1.128 261 G CA -0.270 44.823 45.100 -0.011 0.000 0.792 261 G HN 0.389 nan 8.290 nan 0.000 0.539 262 K N 0.010 120.413 120.400 0.005 0.000 2.209 262 K HA -0.036 4.291 4.320 0.011 0.000 0.204 262 K C 1.190 177.802 176.600 0.020 0.000 1.048 262 K CA 1.025 57.320 56.287 0.013 0.000 0.940 262 K CB -0.041 32.467 32.500 0.013 0.000 0.729 262 K HN 0.056 nan 8.250 nan 0.000 0.451 263 N N 0.746 119.458 118.700 0.020 0.000 2.280 263 N HA 0.161 4.908 4.740 0.011 0.000 0.192 263 N C 0.029 175.558 175.510 0.033 0.000 1.109 263 N CA 0.107 53.176 53.050 0.032 0.000 0.855 263 N CB 0.264 38.771 38.487 0.035 0.000 0.974 263 N HN 0.215 nan 8.380 nan 0.000 0.482 264 I N 1.882 122.462 120.570 0.017 0.000 2.533 264 I HA -0.016 4.161 4.170 0.011 0.000 0.284 264 I C 0.427 176.556 176.117 0.021 0.000 1.109 264 I CA -0.138 61.167 61.300 0.009 0.000 1.412 264 I CB 0.528 38.517 38.000 -0.017 0.000 1.396 264 I HN -0.349 nan 8.210 nan 0.000 0.543 265 K N 7.402 127.822 120.400 0.032 0.000 2.249 265 K HA 0.460 4.787 4.320 0.011 0.000 0.280 265 K C -0.422 176.204 176.600 0.043 0.000 1.033 265 K CA -0.292 56.022 56.287 0.045 0.000 0.946 265 K CB 1.131 33.668 32.500 0.061 0.000 1.005 265 K HN 0.483 nan 8.250 nan 0.000 0.469 266 I N 4.534 125.126 120.570 0.037 0.000 2.312 266 I HA 0.178 4.355 4.170 0.011 0.000 0.290 266 I C -0.044 176.100 176.117 0.044 0.000 1.008 266 I CA -0.635 60.688 61.300 0.039 0.000 1.226 266 I CB 0.766 38.776 38.000 0.017 0.000 1.371 266 I HN 0.182 nan 8.210 nan 0.000 0.468 267 I N 5.409 126.039 120.570 0.099 0.000 2.307 267 I HA 0.216 4.392 4.170 0.011 0.000 0.289 267 I C 0.359 176.490 176.117 0.022 0.000 1.021 267 I CA -0.168 61.164 61.300 0.055 0.000 1.224 267 I CB 1.025 39.078 38.000 0.089 0.000 1.376 267 I HN 0.447 nan 8.210 nan 0.000 0.470 268 S N 6.573 122.257 115.700 -0.026 0.000 2.505 268 S HA 0.262 4.739 4.470 0.011 0.000 0.276 268 S C 0.278 174.847 174.600 -0.052 0.000 1.274 268 S CA -0.555 57.624 58.200 -0.034 0.000 1.053 268 S CB 0.593 63.761 63.200 -0.053 0.000 0.919 268 S HN 0.369 nan 8.310 nan 0.000 0.490 269 K N 2.839 123.200 120.400 -0.065 0.000 2.276 269 K HA 0.326 4.653 4.320 0.011 0.000 0.285 269 K C -0.601 175.948 176.600 -0.085 0.000 1.062 269 K CA -0.413 55.807 56.287 -0.111 0.000 0.918 269 K CB 0.560 32.960 32.500 -0.167 0.000 1.055 269 K HN 0.404 nan 8.250 nan 0.000 0.477 270 I N 4.370 124.904 120.570 -0.060 0.000 2.297 270 I HA 0.060 4.237 4.170 0.011 0.000 0.291 270 I C 0.698 176.779 176.117 -0.060 0.000 1.033 270 I CA 0.126 61.412 61.300 -0.022 0.000 1.253 270 I CB 0.559 38.572 38.000 0.022 0.000 1.396 270 I HN 0.802 nan 8.210 nan 0.000 0.476 271 E N 4.343 124.521 120.200 -0.036 0.000 2.862 271 E HA 0.169 4.526 4.350 0.011 0.000 0.204 271 E C -0.614 176.040 176.600 0.090 0.000 0.966 271 E CA -0.497 55.888 56.400 -0.024 0.000 1.257 271 E CB 0.322 29.926 29.700 -0.160 0.000 1.053 271 E HN 0.658 nan 8.360 nan 0.000 0.487 272 N N -0.679 118.076 118.700 0.092 0.000 2.853 272 N HA 0.078 4.825 4.740 0.011 0.000 0.258 272 N C 0.315 175.876 175.510 0.086 0.000 1.444 272 N CA -0.827 52.292 53.050 0.115 0.000 0.837 272 N CB 0.484 39.065 38.487 0.157 0.000 1.489 272 N HN -0.066 nan 8.380 nan 0.000 0.529 273 H N -0.270 118.813 119.070 0.020 0.000 2.353 273 H HA -0.084 4.479 4.556 0.012 0.000 0.300 273 H C 1.014 176.351 175.328 0.015 0.000 1.090 273 H CA 2.223 58.275 56.048 0.006 0.000 1.327 273 H CB 0.332 30.094 29.762 0.000 0.000 1.383 273 H HN 0.830 nan 8.280 nan 0.000 0.508 274 E N -0.246 120.020 120.200 0.110 0.000 2.077 274 E HA -0.115 4.242 4.350 0.011 0.000 0.193 274 E C 2.420 179.021 176.600 0.002 0.000 0.989 274 E CA 0.926 57.361 56.400 0.058 0.000 0.800 274 E CB -0.316 29.430 29.700 0.077 0.000 0.746 274 E HN 0.581 nan 8.360 nan 0.000 0.452 275 G N 0.440 109.252 108.800 0.021 0.000 2.442 275 G HA2 -0.244 3.723 3.960 0.011 0.000 0.219 275 G HA3 -0.244 3.723 3.960 0.011 0.000 0.219 275 G C 1.627 176.553 174.900 0.042 0.000 1.141 275 G CA 1.023 46.144 45.100 0.034 0.000 0.763 275 G HN 0.233 nan 8.290 nan 0.000 0.554 276 V N 0.504 120.388 119.914 -0.049 0.000 2.307 276 V HA -0.141 3.986 4.120 0.011 0.000 0.245 276 V C 2.884 178.924 176.094 -0.089 0.000 1.045 276 V CA 1.853 64.093 62.300 -0.100 0.000 1.024 276 V CB -0.493 31.197 31.823 -0.222 0.000 0.651 276 V HN 0.286 nan 8.190 nan 0.000 0.449 277 R N 0.108 120.496 120.500 -0.187 0.000 2.091 277 R HA -0.074 4.272 4.340 0.011 0.000 0.238 277 R C 1.952 178.241 176.300 -0.019 0.000 1.136 277 R CA 1.242 57.271 56.100 -0.119 0.000 0.959 277 R CB -0.208 30.026 30.300 -0.110 0.000 0.856 277 R HN 0.465 nan 8.270 nan 0.000 0.437 278 R N -0.168 120.331 120.500 -0.001 0.000 2.480 278 R HA 0.039 4.386 4.340 0.011 0.000 0.277 278 R C 1.116 177.414 176.300 -0.004 0.000 1.008 278 R CA -0.282 55.816 56.100 -0.003 0.000 1.090 278 R CB -0.007 30.283 30.300 -0.017 0.000 1.234 278 R HN 0.145 nan 8.270 nan 0.000 0.549 279 F N 2.169 122.071 119.950 -0.080 0.000 2.095 279 F HA -0.240 4.293 4.527 0.011 0.000 0.298 279 F C 1.497 177.257 175.800 -0.067 0.000 1.104 279 F CA 1.792 59.744 58.000 -0.079 0.000 1.232 279 F CB 0.131 39.077 39.000 -0.090 0.000 0.987 279 F HN 0.000 nan 8.300 nan 0.000 0.475 280 D N 0.310 120.616 120.400 -0.157 0.000 2.123 280 D HA -0.228 4.419 4.640 0.011 0.000 0.196 280 D C 2.194 178.333 176.300 -0.270 0.000 0.992 280 D CA 1.819 55.684 54.000 -0.224 0.000 0.833 280 D CB -0.563 40.207 40.800 -0.049 0.000 0.954 280 D HN 0.696 nan 8.370 nan 0.000 0.455 281 E N 0.454 120.542 120.200 -0.187 0.000 2.150 281 E HA -0.113 4.244 4.350 0.011 0.000 0.193 281 E C 2.205 178.674 176.600 -0.218 0.000 0.985 281 E CA 0.611 56.918 56.400 -0.155 0.000 0.814 281 E CB -0.395 29.249 29.700 -0.093 0.000 0.752 281 E HN 0.264 nan 8.360 nan 0.000 0.466 282 I N 0.709 121.104 120.570 -0.291 0.000 2.202 282 I HA -0.215 3.962 4.170 0.011 0.000 0.242 282 I C 2.502 178.398 176.117 -0.368 0.000 1.091 282 I CA 0.635 61.752 61.300 -0.305 0.000 1.368 282 I CB -0.211 37.630 38.000 -0.264 0.000 1.058 282 I HN 0.168 nan 8.210 nan 0.000 0.410 283 L N 0.883 121.742 121.223 -0.607 0.000 2.042 283 L HA -0.237 4.109 4.340 0.011 0.000 0.210 283 L C 2.493 179.205 176.870 -0.264 0.000 1.076 283 L CA 1.936 56.467 54.840 -0.514 0.000 0.749 283 L CB -0.832 40.787 42.059 -0.734 0.000 0.893 283 L HN 0.229 nan 8.230 nan 0.000 0.432 284 E N -0.027 120.038 120.200 -0.224 0.000 2.118 284 E HA -0.218 4.139 4.350 0.011 0.000 0.195 284 E C 1.932 178.488 176.600 -0.073 0.000 0.992 284 E CA 1.465 57.795 56.400 -0.117 0.000 0.804 284 E CB -0.072 29.575 29.700 -0.088 0.000 0.741 284 E HN 0.614 nan 8.360 nan 0.000 0.458 285 A N 0.201 122.964 122.820 -0.096 0.000 2.123 285 A HA 0.088 4.414 4.320 0.011 0.000 0.214 285 A C 1.364 178.918 177.584 -0.050 0.000 1.152 285 A CA 0.242 52.252 52.037 -0.046 0.000 0.728 285 A CB 0.146 19.037 19.000 -0.182 0.000 0.814 285 A HN 0.133 nan 8.150 nan 0.000 0.464 286 S N 0.187 115.833 115.700 -0.089 0.000 2.687 286 S HA 0.282 4.759 4.470 0.011 0.000 0.283 286 S C 0.038 174.612 174.600 -0.043 0.000 1.170 286 S CA -0.558 57.601 58.200 -0.068 0.000 1.008 286 S CB 1.083 64.225 63.200 -0.097 0.000 1.026 286 S HN 0.387 nan 8.310 nan 0.000 0.541 287 D N 0.595 120.982 120.400 -0.023 0.000 2.323 287 D HA 0.217 4.863 4.640 0.011 0.000 0.209 287 D C 0.863 177.132 176.300 -0.052 0.000 0.973 287 D CA 0.586 54.578 54.000 -0.015 0.000 0.874 287 D CB 0.315 41.122 40.800 0.012 0.000 0.930 287 D HN 0.644 nan 8.370 nan 0.000 0.521 288 G N -0.233 108.528 108.800 -0.064 0.000 2.430 288 G HA2 0.439 4.406 3.960 0.011 0.000 0.300 288 G HA3 0.439 4.406 3.960 0.011 0.000 0.300 288 G C -1.864 172.992 174.900 -0.073 0.000 1.330 288 G CA -0.620 44.425 45.100 -0.092 0.000 0.813 288 G HN -0.071 nan 8.290 nan 0.000 0.487 289 I N 0.471 120.995 120.570 -0.077 0.000 2.769 289 I HA 0.526 4.703 4.170 0.011 0.000 0.298 289 I C -0.461 175.582 176.117 -0.124 0.000 1.128 289 I CA -0.651 60.621 61.300 -0.046 0.000 1.031 289 I CB 2.045 40.103 38.000 0.097 0.000 1.235 289 I HN 0.647 nan 8.210 nan 0.000 0.423 290 M N 5.208 124.714 119.600 -0.156 0.000 2.294 290 M HA 0.463 4.950 4.480 0.011 0.000 0.335 290 M C -1.303 174.911 176.300 -0.143 0.000 1.079 290 M CA -0.746 54.425 55.300 -0.215 0.000 0.982 290 M CB 1.811 34.206 32.600 -0.342 0.000 1.651 290 M HN 0.284 nan 8.290 nan 0.000 0.437 291 V N 5.044 124.877 119.914 -0.134 0.000 2.352 291 V HA 0.254 4.381 4.120 0.011 0.000 0.253 291 V C 0.539 176.565 176.094 -0.114 0.000 1.083 291 V CA -0.388 61.842 62.300 -0.117 0.000 0.993 291 V CB 0.043 31.797 31.823 -0.115 0.000 1.111 291 V HN 0.866 nan 8.190 nan 0.000 0.490 292 A N 5.901 128.651 122.820 -0.117 0.000 2.922 292 A HA 0.341 4.668 4.320 0.011 0.000 0.298 292 A C 1.390 178.924 177.584 -0.085 0.000 1.588 292 A CA -0.382 51.584 52.037 -0.120 0.000 1.288 292 A CB -0.316 18.580 19.000 -0.173 0.000 1.130 292 A HN 0.843 nan 8.150 nan 0.000 0.557 293 R N 1.447 121.910 120.500 -0.061 0.000 2.189 293 R HA -0.075 4.272 4.340 0.011 0.000 0.218 293 R C 2.195 178.482 176.300 -0.021 0.000 1.074 293 R CA 1.056 57.133 56.100 -0.039 0.000 0.991 293 R CB 0.039 30.323 30.300 -0.026 0.000 0.883 293 R HN 0.702 nan 8.270 nan 0.000 0.457 294 G N 1.592 110.382 108.800 -0.017 0.000 2.524 294 G HA2 -0.266 3.701 3.960 0.011 0.000 0.215 294 G HA3 -0.266 3.701 3.960 0.011 0.000 0.215 294 G C 0.994 175.903 174.900 0.015 0.000 1.239 294 G CA 0.910 46.013 45.100 0.006 0.000 0.798 294 G HN 0.190 nan 8.290 nan 0.000 0.557 295 D N 0.035 120.446 120.400 0.019 0.000 2.144 295 D HA -0.072 4.575 4.640 0.011 0.000 0.200 295 D C 2.480 178.807 176.300 0.046 0.000 0.978 295 D CA 0.570 54.614 54.000 0.073 0.000 0.833 295 D CB -0.078 40.814 40.800 0.152 0.000 0.961 295 D HN 0.164 nan 8.370 nan 0.000 0.470 296 L N 1.090 122.317 121.223 0.007 0.000 2.042 296 L HA -0.060 4.287 4.340 0.011 0.000 0.210 296 L C 2.156 179.020 176.870 -0.011 0.000 1.076 296 L CA 1.877 56.716 54.840 -0.002 0.000 0.749 296 L CB -0.813 41.227 42.059 -0.032 0.000 0.893 296 L HN 0.002 nan 8.230 nan 0.000 0.432 297 G N -1.512 107.278 108.800 -0.017 0.000 2.848 297 G HA2 -0.027 3.940 3.960 0.011 0.000 0.208 297 G HA3 -0.027 3.940 3.960 0.011 0.000 0.208 297 G C 1.364 176.227 174.900 -0.061 0.000 1.152 297 G CA 0.646 45.730 45.100 -0.026 0.000 0.789 297 G HN 0.498 nan 8.290 nan 0.000 0.531 298 I N -0.659 119.867 120.570 -0.073 0.000 3.172 298 I HA 0.107 4.284 4.170 0.011 0.000 0.278 298 I C 2.222 178.229 176.117 -0.182 0.000 1.174 298 I CA 0.186 61.383 61.300 -0.172 0.000 1.445 298 I CB 0.125 38.052 38.000 -0.121 0.000 1.175 298 I HN -0.050 nan 8.210 nan 0.000 0.447 299 E N 1.792 121.955 120.200 -0.061 0.000 2.150 299 E HA 0.002 4.359 4.350 0.011 0.000 0.193 299 E C 0.804 177.397 176.600 -0.012 0.000 0.985 299 E CA 0.866 57.257 56.400 -0.016 0.000 0.814 299 E CB 0.136 29.869 29.700 0.055 0.000 0.752 299 E HN 0.549 nan 8.360 nan 0.000 0.466 300 I N -2.395 118.167 120.570 -0.013 0.000 2.846 300 I HA 0.473 4.650 4.170 0.011 0.000 0.307 300 I C -2.727 173.371 176.117 -0.031 0.000 1.053 300 I CA -3.070 58.232 61.300 0.002 0.000 1.050 300 I CB 2.129 40.156 38.000 0.045 0.000 1.239 300 I HN -0.365 nan 8.210 nan 0.000 0.439 301 P HA 0.041 nan 4.420 nan 0.000 0.262 301 P C 0.397 177.694 177.300 -0.004 0.000 1.182 301 P CA 0.199 63.289 63.100 -0.017 0.000 0.761 301 P CB 0.994 32.696 31.700 0.004 0.000 0.795 302 A N 4.773 127.590 122.820 -0.005 0.000 1.978 302 A HA -0.212 4.115 4.320 0.011 0.000 0.220 302 A C 1.767 179.387 177.584 0.060 0.000 1.170 302 A CA 1.548 53.594 52.037 0.015 0.000 0.636 302 A CB -0.868 18.138 19.000 0.009 0.000 0.810 302 A HN 0.668 nan 8.150 nan 0.000 0.448 303 E N 0.395 120.639 120.200 0.073 0.000 2.478 303 E HA -0.140 4.217 4.350 0.011 0.000 0.198 303 E C 1.135 177.862 176.600 0.211 0.000 1.046 303 E CA 1.129 57.613 56.400 0.141 0.000 0.870 303 E CB -0.233 29.534 29.700 0.110 0.000 0.818 303 E HN 0.663 nan 8.360 nan 0.000 0.527 304 K N 0.535 120.979 120.400 0.074 0.000 2.361 304 K HA 0.134 4.461 4.320 0.011 0.000 0.194 304 K C 1.952 178.461 176.600 -0.152 0.000 1.032 304 K CA 0.212 56.457 56.287 -0.069 0.000 1.048 304 K CB 0.572 33.029 32.500 -0.070 0.000 0.842 304 K HN -0.080 nan 8.250 nan 0.000 0.526 305 V N 2.034 121.939 119.914 -0.015 0.000 2.332 305 V HA -0.292 3.835 4.120 0.011 0.000 0.248 305 V C 2.102 178.160 176.094 -0.059 0.000 1.055 305 V CA 2.046 64.326 62.300 -0.033 0.000 1.038 305 V CB -0.702 31.131 31.823 0.017 0.000 0.651 305 V HN 0.362 nan 8.190 nan 0.000 0.450 306 F N 0.229 120.153 119.950 -0.044 0.000 2.202 306 F HA -0.128 4.404 4.527 0.009 0.000 0.301 306 F C 1.896 177.660 175.800 -0.060 0.000 1.082 306 F CA 1.421 59.392 58.000 -0.048 0.000 1.313 306 F CB -1.169 37.811 39.000 -0.033 0.000 1.024 306 F HN 0.095 nan 8.300 nan 0.000 0.495 307 L N 0.983 121.561 121.223 -1.076 0.000 1.994 307 L HA -0.121 4.226 4.340 0.011 0.000 0.208 307 L C 3.046 179.685 176.870 -0.385 0.000 1.071 307 L CA 1.337 55.724 54.840 -0.755 0.000 0.745 307 L CB -1.362 40.270 42.059 -0.712 0.000 0.892 307 L HN 0.319 nan 8.230 nan 0.000 0.431 308 A N -0.487 122.140 122.820 -0.322 0.000 1.902 308 A HA -0.294 4.033 4.320 0.011 0.000 0.217 308 A C 2.294 179.727 177.584 -0.252 0.000 1.181 308 A CA 1.981 53.858 52.037 -0.267 0.000 0.623 308 A CB -0.663 18.208 19.000 -0.215 0.000 0.818 308 A HN 0.521 nan 8.150 nan 0.000 0.443 309 Q N -0.212 119.479 119.800 -0.183 0.000 2.061 309 Q HA -0.235 4.112 4.340 0.011 0.000 0.204 309 Q C 1.992 177.907 176.000 -0.141 0.000 0.984 309 Q CA 2.105 57.826 55.803 -0.137 0.000 0.846 309 Q CB -0.147 28.557 28.738 -0.056 0.000 0.902 309 Q HN 0.683 nan 8.270 nan 0.000 0.421 310 K N -0.103 120.226 120.400 -0.118 0.000 2.057 310 K HA -0.115 4.212 4.320 0.011 0.000 0.206 310 K C 2.198 178.710 176.600 -0.147 0.000 1.050 310 K CA 1.257 57.486 56.287 -0.096 0.000 0.935 310 K CB -0.213 32.264 32.500 -0.037 0.000 0.715 310 K HN 0.309 nan 8.250 nan 0.000 0.439 311 M N 1.294 120.773 119.600 -0.201 0.000 2.080 311 M HA -0.174 4.313 4.480 0.011 0.000 0.260 311 M C 1.928 178.038 176.300 -0.318 0.000 1.068 311 M CA 1.802 56.961 55.300 -0.235 0.000 1.109 311 M CB -0.319 32.123 32.600 -0.263 0.000 1.342 311 M HN 0.137 nan 8.290 nan 0.000 0.405 312 I N 0.015 120.323 120.570 -0.436 0.000 2.252 312 I HA -0.316 3.861 4.170 0.011 0.000 0.245 312 I C 2.369 178.324 176.117 -0.269 0.000 1.102 312 I CA 1.047 61.977 61.300 -0.616 0.000 1.385 312 I CB -0.333 37.288 38.000 -0.632 0.000 1.064 312 I HN 0.263 nan 8.210 nan 0.000 0.414 313 I N 0.608 121.067 120.570 -0.184 0.000 2.226 313 I HA -0.220 3.956 4.170 0.011 0.000 0.245 313 I C 2.665 178.732 176.117 -0.083 0.000 1.100 313 I CA 1.617 62.854 61.300 -0.106 0.000 1.374 313 I CB -0.878 37.070 38.000 -0.087 0.000 1.057 313 I HN 0.266 nan 8.210 nan 0.000 0.413 314 G N 0.681 109.423 108.800 -0.097 0.000 2.446 314 G HA2 -0.228 3.738 3.960 0.011 0.000 0.217 314 G HA3 -0.228 3.738 3.960 0.011 0.000 0.217 314 G C 1.821 176.692 174.900 -0.048 0.000 1.168 314 G CA 0.476 45.530 45.100 -0.076 0.000 0.771 314 G HN 0.289 nan 8.290 nan 0.000 0.551 315 R N -0.667 119.813 120.500 -0.033 0.000 2.115 315 R HA -0.017 4.330 4.340 0.011 0.000 0.230 315 R C 2.670 179.023 176.300 0.087 0.000 1.111 315 R CA 1.094 57.228 56.100 0.058 0.000 0.976 315 R CB -0.582 29.828 30.300 0.183 0.000 0.870 315 R HN 0.391 nan 8.270 nan 0.000 0.445 316 C N 0.611 119.961 119.300 0.084 0.000 2.446 316 C HA -0.042 4.425 4.460 0.011 0.000 0.277 316 C C 2.203 177.186 174.990 -0.011 0.000 1.275 316 C CA 0.665 59.715 59.018 0.053 0.000 1.727 316 C CB -1.188 26.575 27.740 0.039 0.000 2.010 316 C HN 0.572 nan 8.230 nan 0.000 0.486 317 N N 0.236 118.917 118.700 -0.032 0.000 2.104 317 N HA -0.208 4.539 4.740 0.011 0.000 0.190 317 N C 2.010 177.472 175.510 -0.080 0.000 1.024 317 N CA 1.044 54.060 53.050 -0.057 0.000 0.853 317 N CB -0.265 38.187 38.487 -0.060 0.000 1.008 317 N HN 0.506 nan 8.380 nan 0.000 0.424 318 R N 0.916 121.380 120.500 -0.060 0.000 2.096 318 R HA -0.049 4.298 4.340 0.011 0.000 0.235 318 R C 1.852 178.114 176.300 -0.063 0.000 1.127 318 R CA 1.349 57.410 56.100 -0.065 0.000 0.968 318 R CB -0.045 30.234 30.300 -0.036 0.000 0.861 318 R HN 0.166 nan 8.270 nan 0.000 0.440 319 A N -0.614 122.183 122.820 -0.038 0.000 2.178 319 A HA 0.214 4.541 4.320 0.011 0.000 0.211 319 A C 1.358 178.922 177.584 -0.033 0.000 1.157 319 A CA 0.685 52.703 52.037 -0.031 0.000 0.780 319 A CB -0.084 18.906 19.000 -0.017 0.000 0.828 319 A HN 0.533 nan 8.150 nan 0.000 0.476 320 G N -0.517 108.253 108.800 -0.049 0.000 2.176 320 G HA2 -0.259 3.708 3.960 0.011 0.000 0.252 320 G HA3 -0.259 3.708 3.960 0.011 0.000 0.252 320 G C 0.049 174.977 174.900 0.045 0.000 1.024 320 G CA 0.667 45.756 45.100 -0.019 0.000 0.755 320 G HN 0.566 nan 8.290 nan 0.000 0.507 321 K N 0.481 120.876 120.400 -0.008 0.000 2.182 321 K HA 0.468 4.795 4.320 0.011 0.000 0.262 321 K C -2.473 174.041 176.600 -0.143 0.000 0.957 321 K CA -2.228 54.029 56.287 -0.051 0.000 0.842 321 K CB 1.798 34.272 32.500 -0.044 0.000 1.099 321 K HN -0.065 nan 8.250 nan 0.000 0.438 322 P HA -0.079 nan 4.420 nan 0.000 0.264 322 P C -1.101 176.081 177.300 -0.197 0.000 1.183 322 P CA -0.108 62.772 63.100 -0.367 0.000 0.763 322 P CB 0.605 31.985 31.700 -0.533 0.000 0.807 323 V N 5.405 125.225 119.914 -0.157 0.000 2.709 323 V HA 0.513 4.639 4.120 0.011 0.000 0.308 323 V C -0.846 175.171 176.094 -0.129 0.000 1.062 323 V CA -0.820 61.408 62.300 -0.119 0.000 0.901 323 V CB 1.491 33.269 31.823 -0.075 0.000 1.003 323 V HN 0.280 nan 8.190 nan 0.000 0.425 324 I N 6.148 126.624 120.570 -0.157 0.000 2.404 324 I HA 0.450 4.626 4.170 0.011 0.000 0.293 324 I C -0.167 175.867 176.117 -0.138 0.000 0.992 324 I CA -0.373 60.828 61.300 -0.164 0.000 1.149 324 I CB 1.634 39.469 38.000 -0.274 0.000 1.315 324 I HN 0.627 nan 8.210 nan 0.000 0.446 325 C N 6.331 125.572 119.300 -0.098 0.000 2.330 325 C HA 0.867 5.334 4.460 0.011 0.000 0.344 325 C C 0.390 175.336 174.990 -0.073 0.000 1.273 325 C CA -0.097 58.873 59.018 -0.079 0.000 1.879 325 C CB -0.484 27.226 27.740 -0.050 0.000 2.376 325 C HN 0.871 nan 8.230 nan 0.000 0.534 326 A N 4.449 127.224 122.820 -0.074 0.000 2.454 326 A HA 0.914 5.241 4.320 0.011 0.000 0.302 326 A C -0.216 177.348 177.584 -0.033 0.000 1.079 326 A CA -0.169 51.833 52.037 -0.058 0.000 0.731 326 A CB 1.119 20.066 19.000 -0.089 0.000 1.299 326 A HN 1.368 nan 8.150 nan 0.000 0.413 327 T N 1.452 115.999 114.554 -0.011 0.000 0.660 327 T HA -0.076 4.281 4.350 0.011 0.000 0.762 327 T C 0.014 174.720 174.700 0.011 0.000 0.990 327 T CA 0.585 62.687 62.100 0.004 0.000 4.021 327 T CB -1.306 67.560 68.868 -0.003 0.000 2.273 327 T HN 1.500 nan 8.240 nan 0.000 0.396 328 Q N 0.300 120.113 119.800 0.021 0.000 2.481 328 Q HA -0.264 4.083 4.340 0.011 0.000 0.258 328 Q C 1.553 177.564 176.000 0.020 0.000 0.961 328 Q CA 1.439 57.256 55.803 0.024 0.000 1.121 328 Q CB -1.106 27.646 28.738 0.023 0.000 1.503 328 Q HN 0.839 nan 8.270 nan 0.000 0.544 329 M N -0.536 119.075 119.600 0.018 0.000 2.117 329 M HA -0.119 4.367 4.480 0.011 0.000 0.262 329 M C 1.223 177.534 176.300 0.018 0.000 1.065 329 M CA 1.551 56.860 55.300 0.015 0.000 1.114 329 M CB 0.086 32.694 32.600 0.013 0.000 1.361 329 M HN 0.258 nan 8.290 nan 0.000 0.408 330 L N -0.575 120.663 121.223 0.025 0.000 3.186 330 L HA 0.173 4.520 4.340 0.011 0.000 0.292 330 L C 1.147 178.036 176.870 0.032 0.000 1.303 330 L CA -0.367 54.488 54.840 0.026 0.000 0.940 330 L CB 0.275 42.352 42.059 0.030 0.000 1.358 330 L HN 0.059 nan 8.230 nan 0.000 0.581 331 E N 1.329 121.547 120.200 0.031 0.000 2.097 331 E HA -0.239 4.117 4.350 0.011 0.000 0.196 331 E C 2.174 178.799 176.600 0.041 0.000 1.000 331 E CA 2.067 58.489 56.400 0.037 0.000 0.804 331 E CB 0.198 29.918 29.700 0.033 0.000 0.740 331 E HN 0.513 nan 8.360 nan 0.000 0.454 332 S N -0.442 115.278 115.700 0.033 0.000 2.442 332 S HA -0.162 4.315 4.470 0.011 0.000 0.236 332 S C 1.870 176.498 174.600 0.047 0.000 1.007 332 S CA 1.188 59.408 58.200 0.033 0.000 0.965 332 S CB -0.379 62.831 63.200 0.018 0.000 0.773 332 S HN 0.314 nan 8.310 nan 0.000 0.504 333 M N 0.633 120.262 119.600 0.050 0.000 2.686 333 M HA 0.166 4.652 4.480 0.011 0.000 0.246 333 M C 1.545 177.941 176.300 0.161 0.000 1.096 333 M CA 0.625 55.972 55.300 0.078 0.000 1.076 333 M CB -0.636 31.997 32.600 0.055 0.000 1.504 333 M HN 0.350 nan 8.290 nan 0.000 0.524 334 I N 0.357 120.997 120.570 0.118 0.000 2.335 334 I HA -0.290 3.887 4.170 0.011 0.000 0.251 334 I C 2.118 178.323 176.117 0.148 0.000 1.129 334 I CA 1.230 62.597 61.300 0.112 0.000 1.402 334 I CB -0.184 37.857 38.000 0.069 0.000 1.069 334 I HN 0.248 nan 8.210 nan 0.000 0.424 335 K N 0.005 120.504 120.400 0.166 0.000 2.425 335 K HA 0.294 4.621 4.320 0.011 0.000 0.201 335 K C 0.114 176.890 176.600 0.293 0.000 1.128 335 K CA 0.274 56.674 56.287 0.189 0.000 1.000 335 K CB 0.837 33.398 32.500 0.102 0.000 0.961 335 K HN 0.200 nan 8.250 nan 0.000 0.555 336 K N 1.388 121.898 120.400 0.183 0.000 2.318 336 K HA 0.260 4.587 4.320 0.011 0.000 0.249 336 K C -2.197 174.141 176.600 -0.436 0.000 0.942 336 K CA -1.862 54.401 56.287 -0.040 0.000 0.808 336 K CB 2.360 34.837 32.500 -0.039 0.000 1.189 336 K HN -0.294 nan 8.250 nan 0.000 0.428 337 P HA -0.010 nan 4.420 nan 0.000 0.245 337 P C -0.362 176.698 177.300 -0.400 0.000 1.212 337 P CA 0.510 62.994 63.100 -1.027 0.000 0.774 337 P CB 0.609 31.787 31.700 -0.870 0.000 0.999 338 R N 0.364 120.717 120.500 -0.245 0.000 2.673 338 R HA 0.452 4.799 4.340 0.011 0.000 0.281 338 R C -2.715 173.537 176.300 -0.080 0.000 0.991 338 R CA -2.048 53.976 56.100 -0.126 0.000 0.896 338 R CB 2.221 32.462 30.300 -0.097 0.000 1.201 338 R HN -0.004 nan 8.270 nan 0.000 0.457 339 P HA 0.107 nan 4.420 nan 0.000 0.278 339 P C -0.130 177.158 177.300 -0.021 0.000 1.266 339 P CA -0.263 62.822 63.100 -0.024 0.000 0.807 339 P CB 0.601 32.294 31.700 -0.012 0.000 1.094 340 T N -1.146 113.400 114.554 -0.012 0.000 2.788 340 T HA 0.201 4.558 4.350 0.011 0.000 0.287 340 T C 1.485 176.178 174.700 -0.012 0.000 1.007 340 T CA -0.603 61.491 62.100 -0.011 0.000 1.005 340 T CB 0.438 69.303 68.868 -0.006 0.000 1.012 340 T HN 0.190 nan 8.240 nan 0.000 0.530 341 R N 0.764 121.256 120.500 -0.013 0.000 2.115 341 R HA 0.046 4.393 4.340 0.011 0.000 0.230 341 R C 2.669 178.961 176.300 -0.014 0.000 1.111 341 R CA 1.416 57.507 56.100 -0.014 0.000 0.976 341 R CB -1.797 28.494 30.300 -0.016 0.000 0.870 341 R HN 0.850 nan 8.270 nan 0.000 0.445 342 A N 1.343 124.156 122.820 -0.012 0.000 1.933 342 A HA -0.171 4.155 4.320 0.011 0.000 0.218 342 A C 2.038 179.618 177.584 -0.008 0.000 1.175 342 A CA 1.421 53.451 52.037 -0.012 0.000 0.628 342 A CB -0.285 18.709 19.000 -0.011 0.000 0.814 342 A HN 0.358 nan 8.150 nan 0.000 0.444 343 E N -0.690 119.508 120.200 -0.004 0.000 2.072 343 E HA -0.062 4.295 4.350 0.011 0.000 0.191 343 E C 2.183 178.783 176.600 -0.000 0.000 0.985 343 E CA 0.702 57.102 56.400 0.000 0.000 0.801 343 E CB -0.381 29.322 29.700 0.004 0.000 0.750 343 E HN 0.591 nan 8.360 nan 0.000 0.452 344 G N 0.685 109.483 108.800 -0.004 0.000 2.446 344 G HA2 -0.352 3.615 3.960 0.011 0.000 0.217 344 G HA3 -0.352 3.615 3.960 0.011 0.000 0.217 344 G C 1.652 176.550 174.900 -0.005 0.000 1.168 344 G CA 1.108 46.205 45.100 -0.004 0.000 0.771 344 G HN 0.305 nan 8.290 nan 0.000 0.551 345 S N 0.403 116.098 115.700 -0.008 0.000 2.356 345 S HA -0.189 4.288 4.470 0.011 0.000 0.223 345 S C 2.095 176.693 174.600 -0.004 0.000 1.032 345 S CA 2.067 60.262 58.200 -0.009 0.000 1.005 345 S CB -0.506 62.684 63.200 -0.016 0.000 0.867 345 S HN 0.424 nan 8.310 nan 0.000 0.449 346 D N 0.221 120.619 120.400 -0.004 0.000 2.104 346 D HA -0.098 4.548 4.640 0.011 0.000 0.194 346 D C 1.898 178.201 176.300 0.004 0.000 0.994 346 D CA 1.606 55.607 54.000 0.001 0.000 0.830 346 D CB -0.350 40.451 40.800 0.002 0.000 0.959 346 D HN 0.312 nan 8.370 nan 0.000 0.452 347 V N 0.714 120.631 119.914 0.005 0.000 2.295 347 V HA -0.205 3.921 4.120 0.011 0.000 0.246 347 V C 2.600 178.698 176.094 0.008 0.000 1.049 347 V CA 1.808 64.112 62.300 0.007 0.000 1.024 347 V CB -1.026 30.803 31.823 0.010 0.000 0.648 347 V HN 0.353 nan 8.190 nan 0.000 0.447 348 A N 0.287 123.111 122.820 0.007 0.000 1.908 348 A HA -0.252 4.075 4.320 0.011 0.000 0.218 348 A C 2.095 179.689 177.584 0.017 0.000 1.181 348 A CA 2.132 54.176 52.037 0.011 0.000 0.627 348 A CB -0.682 18.323 19.000 0.008 0.000 0.818 348 A HN 0.600 nan 8.150 nan 0.000 0.445 349 N N 0.054 118.763 118.700 0.015 0.000 2.270 349 N HA -0.057 4.690 4.740 0.011 0.000 0.181 349 N C 1.900 177.420 175.510 0.017 0.000 1.016 349 N CA 1.220 54.282 53.050 0.021 0.000 0.870 349 N CB -0.350 38.148 38.487 0.018 0.000 0.979 349 N HN 0.483 nan 8.380 nan 0.000 0.431 350 A N 0.809 123.634 122.820 0.009 0.000 1.933 350 A HA -0.071 4.256 4.320 0.011 0.000 0.218 350 A C 2.501 180.084 177.584 -0.000 0.000 1.175 350 A CA 1.118 53.156 52.037 0.000 0.000 0.628 350 A CB -0.636 18.361 19.000 -0.005 0.000 0.814 350 A HN 0.089 nan 8.150 nan 0.000 0.444 351 V N 0.088 120.007 119.914 0.008 0.000 2.307 351 V HA -0.232 3.894 4.120 0.011 0.000 0.245 351 V C 2.546 178.648 176.094 0.012 0.000 1.045 351 V CA 1.848 64.156 62.300 0.013 0.000 1.024 351 V CB -0.749 31.086 31.823 0.019 0.000 0.651 351 V HN 0.569 nan 8.190 nan 0.000 0.449 352 L N -0.194 121.041 121.223 0.019 0.000 2.083 352 L HA -0.203 4.144 4.340 0.011 0.000 0.209 352 L C 2.359 179.227 176.870 -0.003 0.000 1.083 352 L CA 1.504 56.358 54.840 0.023 0.000 0.752 352 L CB -0.761 41.331 42.059 0.055 0.000 0.899 352 L HN 0.341 nan 8.230 nan 0.000 0.433 353 D N 0.026 120.423 120.400 -0.005 0.000 2.149 353 D HA -0.110 4.537 4.640 0.011 0.000 0.198 353 D C 1.645 177.923 176.300 -0.036 0.000 0.990 353 D CA 1.653 55.640 54.000 -0.022 0.000 0.839 353 D CB -0.011 40.778 40.800 -0.018 0.000 0.948 353 D HN 0.455 nan 8.370 nan 0.000 0.460 354 G N -0.868 107.916 108.800 -0.026 0.000 2.155 354 G HA2 -0.023 3.944 3.960 0.011 0.000 0.130 354 G HA3 -0.023 3.944 3.960 0.011 0.000 0.130 354 G C 0.286 175.172 174.900 -0.023 0.000 1.027 354 G CA 0.085 45.170 45.100 -0.024 0.000 0.705 354 G HN 0.530 nan 8.290 nan 0.000 0.496 355 A N 0.473 123.278 122.820 -0.024 0.000 2.520 355 A HA 0.475 4.801 4.320 0.011 0.000 0.245 355 A C 1.273 178.845 177.584 -0.021 0.000 1.072 355 A CA 0.953 52.970 52.037 -0.034 0.000 0.761 355 A CB 0.238 19.217 19.000 -0.035 0.000 1.004 355 A HN 0.286 nan 8.150 nan 0.000 0.499 356 D N 0.862 121.239 120.400 -0.039 0.000 2.117 356 D HA -0.041 4.606 4.640 0.011 0.000 0.198 356 D C 0.201 176.498 176.300 -0.005 0.000 0.982 356 D CA 1.322 55.308 54.000 -0.023 0.000 0.828 356 D CB 0.121 40.871 40.800 -0.083 0.000 0.967 356 D HN 0.550 nan 8.370 nan 0.000 0.464 357 C N 0.483 119.765 119.300 -0.031 0.000 2.802 357 C HA 0.624 5.091 4.460 0.011 0.000 0.307 357 C C -0.039 174.935 174.990 -0.026 0.000 1.222 357 C CA -1.014 57.995 59.018 -0.014 0.000 1.580 357 C CB 1.941 29.666 27.740 -0.024 0.000 2.119 357 C HN 0.172 nan 8.230 nan 0.000 0.479 358 I N 0.190 120.756 120.570 -0.006 0.000 2.846 358 I HA 0.813 4.989 4.170 0.011 0.000 0.307 358 I C -0.847 175.270 176.117 0.000 0.000 1.053 358 I CA -0.841 60.454 61.300 -0.009 0.000 1.050 358 I CB 1.825 39.829 38.000 0.006 0.000 1.239 358 I HN 0.689 nan 8.210 nan 0.000 0.439 359 M N 4.017 123.616 119.600 -0.001 0.000 2.572 359 M HA 0.636 5.122 4.480 0.011 0.000 0.299 359 M C -2.096 174.221 176.300 0.029 0.000 1.205 359 M CA -0.681 54.628 55.300 0.016 0.000 0.876 359 M CB 2.770 35.367 32.600 -0.005 0.000 1.728 359 M HN 0.636 nan 8.290 nan 0.000 0.458 360 L N 1.701 122.952 121.223 0.048 0.000 2.362 360 L HA 0.582 4.928 4.340 0.011 0.000 0.271 360 L C -0.285 176.624 176.870 0.066 0.000 1.002 360 L CA -0.293 54.579 54.840 0.053 0.000 0.818 360 L CB 2.232 44.324 42.059 0.055 0.000 1.298 360 L HN 0.802 nan 8.230 nan 0.000 0.420 361 S N 0.723 116.462 115.700 0.064 0.000 3.290 361 S HA 0.189 4.666 4.470 0.011 0.000 0.176 361 S C 1.542 176.184 174.600 0.071 0.000 0.815 361 S CA 0.372 58.617 58.200 0.075 0.000 1.075 361 S CB -0.191 63.051 63.200 0.070 0.000 0.879 361 S HN 0.871 nan 8.310 nan 0.000 0.795 362 G N 1.322 110.159 108.800 0.063 0.000 2.475 362 G HA2 -0.227 3.739 3.960 0.011 0.000 0.220 362 G HA3 -0.227 3.739 3.960 0.011 0.000 0.220 362 G C 1.004 175.937 174.900 0.055 0.000 1.125 362 G CA 1.354 46.487 45.100 0.054 0.000 0.755 362 G HN 0.556 nan 8.290 nan 0.000 0.565 363 E N 0.005 120.241 120.200 0.060 0.000 2.118 363 E HA -0.110 4.247 4.350 0.011 0.000 0.195 363 E C 2.750 179.391 176.600 0.068 0.000 0.992 363 E CA 1.869 58.310 56.400 0.068 0.000 0.804 363 E CB -0.232 29.508 29.700 0.066 0.000 0.741 363 E HN 0.636 nan 8.360 nan 0.000 0.458 364 T N -2.940 111.652 114.554 0.063 0.000 3.000 364 T HA 0.367 4.723 4.350 0.011 0.000 0.248 364 T C 1.979 176.713 174.700 0.057 0.000 1.034 364 T CA 0.237 62.373 62.100 0.060 0.000 1.060 364 T CB 0.106 69.010 68.868 0.061 0.000 0.983 364 T HN 0.138 nan 8.240 nan 0.000 0.482 365 A N 3.110 125.967 122.820 0.063 0.000 1.897 365 A HA 0.081 4.407 4.320 0.011 0.000 0.215 365 A C 2.195 179.807 177.584 0.046 0.000 1.181 365 A CA 1.628 53.705 52.037 0.066 0.000 0.620 365 A CB -0.328 18.718 19.000 0.077 0.000 0.821 365 A HN 0.740 nan 8.150 nan 0.000 0.443 366 K N -2.237 118.183 120.400 0.033 0.000 2.562 366 K HA 0.283 4.610 4.320 0.011 0.000 0.218 366 K C 0.850 177.453 176.600 0.005 0.000 1.374 366 K CA 0.348 56.644 56.287 0.015 0.000 0.996 366 K CB -0.113 32.391 32.500 0.005 0.000 1.127 366 K HN 0.239 nan 8.250 nan 0.000 0.603 367 G N 0.956 109.766 108.800 0.017 0.000 2.634 367 G HA2 0.045 4.012 3.960 0.011 0.000 0.255 367 G HA3 0.045 4.012 3.960 0.011 0.000 0.255 367 G C -0.277 174.596 174.900 -0.045 0.000 1.205 367 G CA -0.263 44.845 45.100 0.013 0.000 0.884 367 G HN 0.104 nan 8.290 nan 0.000 0.549 368 D N -1.130 119.205 120.400 -0.108 0.000 2.347 368 D HA 0.029 4.676 4.640 0.011 0.000 0.213 368 D C -0.078 175.836 176.300 -0.643 0.000 0.985 368 D CA 1.022 54.790 54.000 -0.387 0.000 0.879 368 D CB 0.197 40.684 40.800 -0.522 0.000 0.919 368 D HN 0.382 nan 8.370 nan 0.000 0.526 369 Y N -0.582 119.728 120.300 0.018 0.000 2.555 369 Y HA 0.212 4.769 4.550 0.011 0.000 0.317 369 Y C -1.686 174.226 175.900 0.021 0.000 0.928 369 Y CA -1.652 56.459 58.100 0.018 0.000 1.116 369 Y CB 1.159 39.630 38.460 0.017 0.000 1.169 369 Y HN -0.092 nan 8.280 nan 0.000 0.627 370 P HA -0.176 nan 4.420 nan 0.000 0.215 370 P C 1.414 178.764 177.300 0.083 0.000 1.153 370 P CA 1.513 64.661 63.100 0.080 0.000 0.853 370 P CB 0.631 32.359 31.700 0.047 0.000 0.788 371 L N -0.607 120.665 121.223 0.083 0.000 2.056 371 L HA -0.137 4.210 4.340 0.011 0.000 0.207 371 L C 2.607 179.524 176.870 0.078 0.000 1.078 371 L CA 1.556 56.437 54.840 0.069 0.000 0.749 371 L CB -1.129 40.967 42.059 0.062 0.000 0.901 371 L HN -0.073 nan 8.230 nan 0.000 0.433 372 E N 0.588 120.855 120.200 0.111 0.000 2.110 372 E HA -0.192 4.165 4.350 0.011 0.000 0.193 372 E C 2.277 178.918 176.600 0.068 0.000 0.988 372 E CA 1.372 57.824 56.400 0.086 0.000 0.804 372 E CB -0.318 29.433 29.700 0.085 0.000 0.745 372 E HN 0.451 nan 8.360 nan 0.000 0.458 373 A N 0.447 123.319 122.820 0.086 0.000 1.877 373 A HA -0.168 4.159 4.320 0.011 0.000 0.216 373 A C 2.480 180.102 177.584 0.062 0.000 1.186 373 A CA 1.511 53.590 52.037 0.069 0.000 0.620 373 A CB -0.801 18.246 19.000 0.079 0.000 0.822 373 A HN 0.150 nan 8.150 nan 0.000 0.443 374 V N 0.067 120.017 119.914 0.061 0.000 2.287 374 V HA -0.301 3.826 4.120 0.011 0.000 0.248 374 V C 2.638 178.775 176.094 0.072 0.000 1.053 374 V CA 2.367 64.700 62.300 0.055 0.000 1.027 374 V CB -0.880 30.964 31.823 0.035 0.000 0.646 374 V HN 0.533 nan 8.190 nan 0.000 0.447 375 R N -0.860 119.678 120.500 0.064 0.000 2.096 375 R HA -0.187 4.160 4.340 0.011 0.000 0.235 375 R C 2.233 178.602 176.300 0.114 0.000 1.127 375 R CA 1.857 58.007 56.100 0.083 0.000 0.968 375 R CB -0.420 29.915 30.300 0.057 0.000 0.861 375 R HN 0.409 nan 8.270 nan 0.000 0.440 376 M N 0.953 120.598 119.600 0.076 0.000 2.156 376 M HA -0.123 4.364 4.480 0.011 0.000 0.264 376 M C 1.877 178.214 176.300 0.061 0.000 1.067 376 M CA 1.702 57.036 55.300 0.058 0.000 1.131 376 M CB -0.082 32.537 32.600 0.032 0.000 1.368 376 M HN 0.024 nan 8.290 nan 0.000 0.416 377 Q N -1.071 118.771 119.800 0.071 0.000 2.096 377 Q HA -0.257 4.090 4.340 0.011 0.000 0.204 377 Q C 2.229 178.281 176.000 0.086 0.000 0.982 377 Q CA 1.849 57.692 55.803 0.067 0.000 0.850 377 Q CB -0.657 28.120 28.738 0.065 0.000 0.901 377 Q HN 0.708 nan 8.270 nan 0.000 0.422 378 H N 0.872 119.957 119.070 0.026 0.000 2.290 378 H HA -0.139 4.424 4.556 0.012 0.000 0.298 378 H C 2.092 177.438 175.328 0.030 0.000 1.087 378 H CA 1.499 57.566 56.048 0.032 0.000 1.291 378 H CB -0.049 29.733 29.762 0.034 0.000 1.369 378 H HN 0.192 nan 8.280 nan 0.000 0.492 379 L N 0.295 121.519 121.223 0.002 0.000 2.017 379 L HA -0.203 4.143 4.340 0.011 0.000 0.208 379 L C 2.925 179.755 176.870 -0.068 0.000 1.073 379 L CA 1.177 55.982 54.840 -0.059 0.000 0.745 379 L CB -0.375 41.699 42.059 0.024 0.000 0.894 379 L HN 0.277 nan 8.230 nan 0.000 0.432 380 I N -0.131 120.423 120.570 -0.027 0.000 2.226 380 I HA -0.267 3.909 4.170 0.011 0.000 0.245 380 I C 2.834 178.933 176.117 -0.029 0.000 1.100 380 I CA 1.106 62.394 61.300 -0.020 0.000 1.374 380 I CB -0.539 37.460 38.000 -0.002 0.000 1.057 380 I HN 0.193 nan 8.210 nan 0.000 0.413 381 A N 1.039 123.836 122.820 -0.037 0.000 1.908 381 A HA -0.216 4.111 4.320 0.011 0.000 0.218 381 A C 2.431 179.987 177.584 -0.047 0.000 1.181 381 A CA 1.576 53.595 52.037 -0.030 0.000 0.627 381 A CB -0.585 18.406 19.000 -0.015 0.000 0.818 381 A HN 0.324 nan 8.150 nan 0.000 0.445 382 R N -0.580 119.852 120.500 -0.114 0.000 2.081 382 R HA -0.101 4.245 4.340 0.011 0.000 0.235 382 R C 2.065 178.342 176.300 -0.039 0.000 1.131 382 R CA 1.302 57.343 56.100 -0.098 0.000 0.960 382 R CB -0.317 29.882 30.300 -0.170 0.000 0.856 382 R HN 0.552 nan 8.270 nan 0.000 0.436 383 E N 0.696 120.873 120.200 -0.038 0.000 2.051 383 E HA -0.156 4.201 4.350 0.011 0.000 0.192 383 E C 1.999 178.605 176.600 0.010 0.000 0.991 383 E CA 1.399 57.790 56.400 -0.014 0.000 0.799 383 E CB -0.172 29.516 29.700 -0.019 0.000 0.748 383 E HN 0.326 nan 8.360 nan 0.000 0.449 384 A N 1.292 124.119 122.820 0.012 0.000 1.929 384 A HA -0.176 4.150 4.320 0.011 0.000 0.216 384 A C 2.020 179.639 177.584 0.058 0.000 1.176 384 A CA 1.322 53.378 52.037 0.032 0.000 0.628 384 A CB -0.397 18.618 19.000 0.024 0.000 0.816 384 A HN 0.186 nan 8.150 nan 0.000 0.444 385 E N -0.079 120.156 120.200 0.059 0.000 2.085 385 E HA -0.154 4.203 4.350 0.011 0.000 0.194 385 E C 2.245 178.956 176.600 0.186 0.000 0.994 385 E CA 1.160 57.624 56.400 0.106 0.000 0.801 385 E CB -0.287 29.464 29.700 0.085 0.000 0.743 385 E HN 0.626 nan 8.360 nan 0.000 0.453 386 A N 1.058 123.961 122.820 0.138 0.000 1.969 386 A HA -0.024 4.302 4.320 0.011 0.000 0.218 386 A C 2.255 179.961 177.584 0.203 0.000 1.169 386 A CA 1.437 53.575 52.037 0.167 0.000 0.635 386 A CB -0.378 18.669 19.000 0.078 0.000 0.810 386 A HN 0.275 nan 8.150 nan 0.000 0.445 387 A N -0.980 121.926 122.820 0.143 0.000 2.235 387 A HA 0.372 4.699 4.320 0.011 0.000 0.208 387 A C 1.080 178.829 177.584 0.275 0.000 1.172 387 A CA -0.054 52.073 52.037 0.151 0.000 0.786 387 A CB -0.531 18.512 19.000 0.072 0.000 0.804 387 A HN 0.559 nan 8.150 nan 0.000 0.479 388 M N -1.019 118.672 119.600 0.152 0.000 2.250 388 M HA 0.119 4.605 4.480 0.011 0.000 0.325 388 M C 0.032 176.337 176.300 0.009 0.000 1.084 388 M CA 0.512 55.800 55.300 -0.020 0.000 1.161 388 M CB 0.226 32.605 32.600 -0.368 0.000 1.481 388 M HN 0.391 nan 8.290 nan 0.000 0.449 389 F N 2.996 122.741 119.950 -0.342 0.000 2.395 389 F HA 0.173 4.710 4.527 0.016 0.000 0.347 389 F C 1.183 176.819 175.800 -0.273 0.000 1.157 389 F CA -0.678 57.025 58.000 -0.496 0.000 1.272 389 F CB -0.025 38.587 39.000 -0.648 0.000 1.607 389 F HN 0.668 nan 8.300 nan 0.000 0.571 390 H N 2.277 121.389 119.070 0.070 0.000 2.353 390 H HA -0.218 4.344 4.556 0.010 0.000 0.298 390 H C 2.327 177.528 175.328 -0.212 0.000 1.103 390 H CA 1.703 57.714 56.048 -0.062 0.000 1.293 390 H CB -0.021 29.642 29.762 -0.164 0.000 1.372 390 H HN 0.568 nan 8.280 nan 0.000 0.501 391 R N 1.321 121.697 120.500 -0.208 0.000 2.083 391 R HA -0.171 4.175 4.340 0.011 0.000 0.237 391 R C 2.301 178.439 176.300 -0.271 0.000 1.137 391 R CA 1.912 57.848 56.100 -0.273 0.000 0.951 391 R CB -0.000 30.168 30.300 -0.220 0.000 0.851 391 R HN 0.052 nan 8.270 nan 0.000 0.434 392 K N 0.474 120.486 120.400 -0.647 0.000 2.062 392 K HA -0.106 4.221 4.320 0.011 0.000 0.205 392 K C 1.989 178.433 176.600 -0.261 0.000 1.051 392 K CA 0.976 56.919 56.287 -0.573 0.000 0.941 392 K CB -0.455 31.430 32.500 -1.025 0.000 0.719 392 K HN 0.170 nan 8.250 nan 0.000 0.440 393 L N 0.210 121.315 121.223 -0.196 0.000 2.017 393 L HA -0.060 4.286 4.340 0.011 0.000 0.208 393 L C 2.003 178.914 176.870 0.068 0.000 1.073 393 L CA 1.742 56.543 54.840 -0.064 0.000 0.745 393 L CB -0.872 41.160 42.059 -0.045 0.000 0.894 393 L HN 0.286 nan 8.230 nan 0.000 0.432 394 F N 0.656 120.635 119.950 0.049 0.000 2.095 394 F HA -0.233 4.295 4.527 0.001 0.000 0.298 394 F C 2.339 178.202 175.800 0.105 0.000 1.104 394 F CA 2.110 60.216 58.000 0.176 0.000 1.232 394 F CB -0.230 38.969 39.000 0.333 0.000 0.987 394 F HN 0.243 nan 8.300 nan 0.000 0.475 395 E N -0.080 120.205 120.200 0.142 0.000 2.085 395 E HA -0.241 4.115 4.350 0.011 0.000 0.194 395 E C 2.105 178.662 176.600 -0.071 0.000 0.994 395 E CA 1.749 58.159 56.400 0.017 0.000 0.801 395 E CB -0.254 29.452 29.700 0.010 0.000 0.743 395 E HN 0.603 nan 8.360 nan 0.000 0.453 396 E N 0.443 120.599 120.200 -0.072 0.000 2.107 396 E HA -0.121 4.236 4.350 0.011 0.000 0.191 396 E C 2.238 178.793 176.600 -0.075 0.000 0.982 396 E CA 0.516 56.870 56.400 -0.077 0.000 0.809 396 E CB -0.001 29.645 29.700 -0.090 0.000 0.756 396 E HN 0.231 nan 8.360 nan 0.000 0.459 397 L N 0.839 122.015 121.223 -0.079 0.000 2.046 397 L HA -0.181 4.166 4.340 0.011 0.000 0.208 397 L C 2.644 179.503 176.870 -0.020 0.000 1.077 397 L CA 1.072 55.870 54.840 -0.070 0.000 0.747 397 L CB -0.519 41.489 42.059 -0.084 0.000 0.896 397 L HN 0.127 nan 8.230 nan 0.000 0.432 398 A N 0.205 122.958 122.820 -0.111 0.000 1.883 398 A HA -0.286 4.040 4.320 0.011 0.000 0.217 398 A C 2.353 179.894 177.584 -0.071 0.000 1.186 398 A CA 2.108 54.058 52.037 -0.144 0.000 0.624 398 A CB -0.545 18.247 19.000 -0.347 0.000 0.822 398 A HN 0.302 nan 8.150 nan 0.000 0.444 399 R N 0.014 120.473 120.500 -0.069 0.000 2.073 399 R HA -0.048 4.299 4.340 0.011 0.000 0.234 399 R C 2.164 178.444 176.300 -0.033 0.000 1.134 399 R CA 1.967 58.040 56.100 -0.046 0.000 0.952 399 R CB -0.797 29.476 30.300 -0.045 0.000 0.850 399 R HN 0.407 nan 8.270 nan 0.000 0.433 400 A N -0.525 122.275 122.820 -0.034 0.000 1.969 400 A HA -0.105 4.222 4.320 0.011 0.000 0.218 400 A C 1.923 179.498 177.584 -0.015 0.000 1.169 400 A CA 1.711 53.731 52.037 -0.028 0.000 0.635 400 A CB -0.520 18.457 19.000 -0.038 0.000 0.810 400 A HN 0.529 nan 8.150 nan 0.000 0.445 401 S N -0.232 115.469 115.700 0.002 0.000 2.577 401 S HA 0.051 4.528 4.470 0.011 0.000 0.219 401 S C 1.475 176.084 174.600 0.014 0.000 0.962 401 S CA 0.686 58.900 58.200 0.024 0.000 0.921 401 S CB -0.424 62.832 63.200 0.093 0.000 0.789 401 S HN 0.732 nan 8.310 nan 0.000 0.497 402 S N 2.082 117.779 115.700 -0.006 0.000 2.474 402 S HA -0.187 4.289 4.470 0.011 0.000 0.235 402 S C 2.001 176.593 174.600 -0.014 0.000 0.997 402 S CA 0.744 58.934 58.200 -0.016 0.000 0.949 402 S CB -0.569 62.617 63.200 -0.023 0.000 0.766 402 S HN 0.734 nan 8.310 nan 0.000 0.517 403 Q N 1.956 121.750 119.800 -0.010 0.000 2.291 403 Q HA 0.074 4.421 4.340 0.011 0.000 0.205 403 Q C 0.853 176.847 176.000 -0.011 0.000 0.970 403 Q CA 1.083 56.880 55.803 -0.011 0.000 0.876 403 Q CB -0.734 27.998 28.738 -0.010 0.000 0.935 403 Q HN 0.504 nan 8.270 nan 0.000 0.455 404 S N 1.171 116.867 115.700 -0.007 0.000 2.513 404 S HA 0.259 4.736 4.470 0.011 0.000 0.276 404 S C 0.388 174.978 174.600 -0.017 0.000 1.254 404 S CA -0.017 58.178 58.200 -0.009 0.000 1.053 404 S CB 0.968 64.171 63.200 0.004 0.000 0.958 404 S HN 0.435 nan 8.310 nan 0.000 0.491 405 T N 1.026 115.564 114.554 -0.026 0.000 3.215 405 T HA 0.225 4.582 4.350 0.011 0.000 0.271 405 T C 0.015 174.684 174.700 -0.051 0.000 1.012 405 T CA -0.540 61.540 62.100 -0.034 0.000 0.899 405 T CB -0.514 68.336 68.868 -0.029 0.000 1.089 405 T HN 0.659 nan 8.240 nan 0.000 0.552 406 D N 1.132 121.498 120.400 -0.056 0.000 2.533 406 D HA 0.049 4.695 4.640 0.011 0.000 0.236 406 D C 1.324 177.541 176.300 -0.138 0.000 1.137 406 D CA -0.072 53.869 54.000 -0.097 0.000 0.867 406 D CB 0.529 41.282 40.800 -0.079 0.000 1.170 406 D HN 0.164 nan 8.370 nan 0.000 0.474 407 L N 3.216 124.299 121.223 -0.234 0.000 2.056 407 L HA -0.151 4.196 4.340 0.011 0.000 0.207 407 L C 2.255 178.946 176.870 -0.298 0.000 1.078 407 L CA 0.758 55.439 54.840 -0.265 0.000 0.749 407 L CB -0.481 41.373 42.059 -0.343 0.000 0.901 407 L HN 0.627 nan 8.230 nan 0.000 0.433 408 M N 0.331 119.633 119.600 -0.498 0.000 2.117 408 M HA -0.186 4.301 4.480 0.011 0.000 0.262 408 M C 2.032 178.315 176.300 -0.028 0.000 1.065 408 M CA 1.741 56.916 55.300 -0.209 0.000 1.114 408 M CB -0.356 32.130 32.600 -0.190 0.000 1.361 408 M HN 0.108 nan 8.290 nan 0.000 0.408 409 E N -0.376 119.804 120.200 -0.033 0.000 2.085 409 E HA -0.204 4.153 4.350 0.011 0.000 0.194 409 E C 1.965 178.527 176.600 -0.063 0.000 0.994 409 E CA 1.293 57.712 56.400 0.032 0.000 0.801 409 E CB -0.317 29.419 29.700 0.060 0.000 0.743 409 E HN 0.669 nan 8.360 nan 0.000 0.453 410 A N 1.119 123.902 122.820 -0.061 0.000 1.902 410 A HA -0.195 4.132 4.320 0.011 0.000 0.217 410 A C 2.135 179.710 177.584 -0.016 0.000 1.181 410 A CA 1.311 53.316 52.037 -0.054 0.000 0.623 410 A CB -0.296 18.686 19.000 -0.030 0.000 0.818 410 A HN 0.123 nan 8.150 nan 0.000 0.443 411 M N -0.343 119.281 119.600 0.041 0.000 2.117 411 M HA -0.101 4.385 4.480 0.011 0.000 0.262 411 M C 2.503 178.833 176.300 0.050 0.000 1.065 411 M CA 1.569 56.917 55.300 0.080 0.000 1.114 411 M CB -1.603 31.107 32.600 0.183 0.000 1.361 411 M HN 0.491 nan 8.290 nan 0.000 0.408 412 A N 0.063 122.914 122.820 0.051 0.000 1.877 412 A HA -0.152 4.174 4.320 0.011 0.000 0.216 412 A C 2.272 179.864 177.584 0.013 0.000 1.186 412 A CA 1.650 53.732 52.037 0.075 0.000 0.620 412 A CB -0.577 18.530 19.000 0.179 0.000 0.822 412 A HN 0.463 nan 8.150 nan 0.000 0.443 413 M N -0.585 118.933 119.600 -0.137 0.000 2.117 413 M HA -0.094 4.393 4.480 0.011 0.000 0.262 413 M C 2.318 178.638 176.300 0.032 0.000 1.065 413 M CA 1.444 56.681 55.300 -0.105 0.000 1.114 413 M CB -0.598 31.810 32.600 -0.320 0.000 1.361 413 M HN 0.517 nan 8.290 nan 0.000 0.408 414 G N -0.594 108.199 108.800 -0.013 0.000 2.418 414 G HA2 -0.191 3.775 3.960 0.011 0.000 0.217 414 G HA3 -0.191 3.775 3.960 0.011 0.000 0.217 414 G C 1.594 176.462 174.900 -0.054 0.000 1.158 414 G CA 1.219 46.308 45.100 -0.019 0.000 0.771 414 G HN 0.436 nan 8.290 nan 0.000 0.545 415 S N -0.105 115.570 115.700 -0.042 0.000 2.368 415 S HA -0.079 4.397 4.470 0.011 0.000 0.224 415 S C 2.509 177.023 174.600 -0.143 0.000 1.029 415 S CA 1.064 59.228 58.200 -0.060 0.000 0.988 415 S CB -0.222 62.969 63.200 -0.015 0.000 0.838 415 S HN 0.180 nan 8.310 nan 0.000 0.462 416 V N 1.804 121.614 119.914 -0.174 0.000 2.295 416 V HA -0.164 3.962 4.120 0.011 0.000 0.246 416 V C 2.570 178.211 176.094 -0.755 0.000 1.049 416 V CA 2.025 64.076 62.300 -0.415 0.000 1.024 416 V CB -0.689 30.995 31.823 -0.232 0.000 0.648 416 V HN 0.393 nan 8.190 nan 0.000 0.447 417 E N 0.934 120.784 120.200 -0.583 0.000 2.070 417 E HA -0.234 4.123 4.350 0.011 0.000 0.197 417 E C 2.130 178.584 176.600 -0.243 0.000 1.004 417 E CA 1.952 58.074 56.400 -0.464 0.000 0.805 417 E CB -0.578 28.976 29.700 -0.244 0.000 0.744 417 E HN 0.509 nan 8.360 nan 0.000 0.451 418 A N 0.197 122.910 122.820 -0.178 0.000 1.933 418 A HA -0.203 4.124 4.320 0.011 0.000 0.218 418 A C 2.416 179.938 177.584 -0.104 0.000 1.175 418 A CA 2.442 54.417 52.037 -0.103 0.000 0.628 418 A CB -1.102 17.853 19.000 -0.075 0.000 0.814 418 A HN 0.451 nan 8.150 nan 0.000 0.444 419 S N -1.251 114.344 115.700 -0.175 0.000 2.382 419 S HA -0.205 4.272 4.470 0.011 0.000 0.228 419 S C 1.916 176.481 174.600 -0.058 0.000 1.027 419 S CA 1.552 59.666 58.200 -0.143 0.000 0.991 419 S CB -0.768 62.315 63.200 -0.195 0.000 0.823 419 S HN 0.510 nan 8.310 nan 0.000 0.469 420 Y N 2.227 122.454 120.300 -0.121 0.000 2.145 420 Y HA 0.103 4.662 4.550 0.015 0.000 0.286 420 Y C 2.670 178.524 175.900 -0.076 0.000 1.145 420 Y CA 1.080 59.110 58.100 -0.117 0.000 1.148 420 Y CB -1.056 37.303 38.460 -0.169 0.000 0.981 420 Y HN 0.298 nan 8.280 nan 0.000 0.507 421 K N 0.827 121.282 120.400 0.092 0.000 2.057 421 K HA -0.125 4.201 4.320 0.011 0.000 0.207 421 K C 1.887 178.505 176.600 0.031 0.000 1.049 421 K CA 1.807 58.121 56.287 0.046 0.000 0.931 421 K CB -0.737 31.773 32.500 0.017 0.000 0.714 421 K HN 0.456 nan 8.250 nan 0.000 0.440 422 C N -0.120 119.190 119.300 0.016 0.000 2.754 422 C HA 0.475 4.942 4.460 0.011 0.000 0.276 422 C C 0.564 175.564 174.990 0.016 0.000 1.264 422 C CA -0.819 58.204 59.018 0.009 0.000 1.700 422 C CB -1.449 26.287 27.740 -0.008 0.000 1.885 422 C HN 0.466 nan 8.230 nan 0.000 0.607 423 L N 0.431 121.673 121.223 0.031 0.000 3.677 423 L HA -0.228 4.118 4.340 0.011 0.000 0.464 423 L C 1.063 177.946 176.870 0.022 0.000 1.278 423 L CA 0.350 55.213 54.840 0.038 0.000 0.806 423 L CB -2.249 39.838 42.059 0.046 0.000 1.610 423 L HN 0.703 nan 8.230 nan 0.000 0.867 424 A N 0.092 122.914 122.820 0.003 0.000 2.520 424 A HA 0.485 4.812 4.320 0.011 0.000 0.235 424 A C 1.414 179.004 177.584 0.010 0.000 1.065 424 A CA 0.676 52.704 52.037 -0.014 0.000 0.764 424 A CB 0.694 19.671 19.000 -0.038 0.000 1.002 424 A HN 0.700 nan 8.150 nan 0.000 0.502 425 A N 1.415 124.247 122.820 0.020 0.000 2.119 425 A HA 0.505 4.832 4.320 0.011 0.000 0.216 425 A C 1.053 178.734 177.584 0.161 0.000 1.152 425 A CA 1.577 53.681 52.037 0.112 0.000 0.708 425 A CB -0.412 18.709 19.000 0.202 0.000 0.805 425 A HN 2.404 nan 8.150 nan 0.000 0.460 426 A N -1.766 121.106 122.820 0.087 0.000 2.586 426 A HA 0.597 4.924 4.320 0.011 0.000 0.291 426 A C -1.856 175.752 177.584 0.040 0.000 1.062 426 A CA -0.622 51.483 52.037 0.113 0.000 0.666 426 A CB 0.275 19.476 19.000 0.335 0.000 1.281 426 A HN 0.298 nan 8.150 nan 0.000 0.421 427 L N 1.160 122.415 121.223 0.052 0.000 2.305 427 L HA 0.593 4.939 4.340 0.011 0.000 0.284 427 L C -0.529 176.384 176.870 0.072 0.000 1.013 427 L CA 0.019 54.880 54.840 0.036 0.000 0.819 427 L CB 1.476 43.549 42.059 0.023 0.000 1.227 427 L HN 0.578 nan 8.230 nan 0.000 0.417 428 I N 3.856 124.460 120.570 0.057 0.000 2.331 428 I HA 0.431 4.608 4.170 0.011 0.000 0.292 428 I C -0.631 175.519 176.117 0.054 0.000 0.998 428 I CA -0.643 60.702 61.300 0.076 0.000 1.267 428 I CB 1.447 39.484 38.000 0.062 0.000 1.386 428 I HN 0.223 nan 8.210 nan 0.000 0.476 429 V N 7.419 127.369 119.914 0.061 0.000 2.483 429 V HA 0.332 4.459 4.120 0.011 0.000 0.297 429 V C -0.369 175.746 176.094 0.034 0.000 1.027 429 V CA -0.672 61.655 62.300 0.044 0.000 0.855 429 V CB 1.811 33.658 31.823 0.041 0.000 0.995 429 V HN 0.357 nan 8.190 nan 0.000 0.424 430 L N 4.156 125.395 121.223 0.027 0.000 2.265 430 L HA 0.737 5.084 4.340 0.011 0.000 0.288 430 L C 0.318 177.208 176.870 0.033 0.000 1.058 430 L CA 0.783 55.635 54.840 0.020 0.000 0.809 430 L CB 1.322 43.379 42.059 -0.004 0.000 1.179 430 L HN 0.839 nan 8.230 nan 0.000 0.429 431 T N 1.820 116.387 114.554 0.022 0.000 3.041 431 T HA 0.357 4.714 4.350 0.011 0.000 0.321 431 T C 0.370 175.077 174.700 0.013 0.000 1.184 431 T CA -0.435 61.671 62.100 0.010 0.000 1.050 431 T CB 1.088 69.927 68.868 -0.048 0.000 1.159 431 T HN 0.596 nan 8.240 nan 0.000 0.469 432 E N 1.620 121.836 120.200 0.026 0.000 2.162 432 E HA 0.047 4.404 4.350 0.011 0.000 0.193 432 E C 2.152 178.762 176.600 0.016 0.000 0.953 432 E CA 1.239 57.659 56.400 0.034 0.000 0.849 432 E CB -0.060 29.673 29.700 0.056 0.000 0.810 432 E HN 0.704 nan 8.360 nan 0.000 0.470 433 S N -0.973 114.724 115.700 -0.004 0.000 2.501 433 S HA 0.177 4.654 4.470 0.011 0.000 0.220 433 S C 1.681 176.228 174.600 -0.088 0.000 0.997 433 S CA 0.949 59.142 58.200 -0.011 0.000 0.919 433 S CB 0.462 63.663 63.200 0.001 0.000 0.778 433 S HN 0.297 nan 8.310 nan 0.000 0.523 434 G N 1.955 110.634 108.800 -0.202 0.000 2.241 434 G HA2 -0.300 3.667 3.960 0.011 0.000 0.244 434 G HA3 -0.300 3.667 3.960 0.011 0.000 0.244 434 G C 1.123 175.438 174.900 -0.976 0.000 0.998 434 G CA 0.232 45.012 45.100 -0.534 0.000 0.621 434 G HN 0.356 nan 8.290 nan 0.000 0.519 435 R N 1.367 121.558 120.500 -0.515 0.000 2.096 435 R HA -0.042 4.305 4.340 0.011 0.000 0.240 435 R C 2.693 178.868 176.300 -0.210 0.000 1.139 435 R CA 1.932 57.848 56.100 -0.306 0.000 0.952 435 R CB -1.350 28.912 30.300 -0.063 0.000 0.854 435 R HN 0.502 nan 8.270 nan 0.000 0.436 436 S N 0.928 116.555 115.700 -0.122 0.000 2.368 436 S HA -0.065 4.412 4.470 0.011 0.000 0.225 436 S C 2.047 176.622 174.600 -0.041 0.000 1.030 436 S CA 1.162 59.355 58.200 -0.011 0.000 0.999 436 S CB -0.211 63.025 63.200 0.060 0.000 0.844 436 S HN 0.512 nan 8.310 nan 0.000 0.459 437 A N 1.377 124.116 122.820 -0.135 0.000 1.930 437 A HA -0.128 4.198 4.320 0.011 0.000 0.217 437 A C 1.672 179.217 177.584 -0.065 0.000 1.175 437 A CA 1.391 53.376 52.037 -0.086 0.000 0.627 437 A CB -0.914 18.027 19.000 -0.098 0.000 0.815 437 A HN 0.686 nan 8.150 nan 0.000 0.443 438 H N -1.049 117.878 119.070 -0.237 0.000 2.387 438 H HA -0.118 4.445 4.556 0.011 0.000 0.299 438 H C 2.195 177.460 175.328 -0.105 0.000 1.090 438 H CA 1.069 56.874 56.048 -0.405 0.000 1.332 438 H CB 0.121 29.531 29.762 -0.587 0.000 1.386 438 H HN 0.393 nan 8.280 nan 0.000 0.516 439 Q N 0.524 120.376 119.800 0.086 0.000 2.123 439 Q HA -0.076 4.271 4.340 0.011 0.000 0.199 439 Q C 2.679 178.805 176.000 0.210 0.000 0.966 439 Q CA 0.656 56.543 55.803 0.140 0.000 0.845 439 Q CB -0.249 28.569 28.738 0.134 0.000 0.907 439 Q HN 0.358 nan 8.270 nan 0.000 0.439 440 V N 1.234 121.245 119.914 0.161 0.000 2.295 440 V HA -0.243 3.883 4.120 0.011 0.000 0.246 440 V C 2.386 178.592 176.094 0.187 0.000 1.049 440 V CA 1.765 64.172 62.300 0.178 0.000 1.024 440 V CB -1.117 30.772 31.823 0.111 0.000 0.648 440 V HN 0.309 nan 8.190 nan 0.000 0.447 441 A N 0.206 123.117 122.820 0.151 0.000 1.940 441 A HA -0.283 4.043 4.320 0.011 0.000 0.219 441 A C 2.418 180.089 177.584 0.145 0.000 1.176 441 A CA 2.115 54.253 52.037 0.169 0.000 0.631 441 A CB -0.651 18.477 19.000 0.212 0.000 0.814 441 A HN 0.511 nan 8.150 nan 0.000 0.446 442 R N -1.789 118.762 120.500 0.084 0.000 2.127 442 R HA -0.182 4.165 4.340 0.011 0.000 0.238 442 R C 1.041 177.193 176.300 -0.248 0.000 1.134 442 R CA 1.805 57.844 56.100 -0.102 0.000 0.975 442 R CB -0.332 29.839 30.300 -0.214 0.000 0.865 442 R HN 0.573 nan 8.270 nan 0.000 0.447 443 Y N 0.655 121.034 120.300 0.132 0.000 2.461 443 Y HA 0.237 4.791 4.550 0.007 0.000 0.277 443 Y C 0.109 176.191 175.900 0.303 0.000 1.182 443 Y CA -0.076 58.138 58.100 0.189 0.000 1.276 443 Y CB 0.412 39.004 38.460 0.220 0.000 1.087 443 Y HN -0.041 nan 8.280 nan 0.000 0.519 444 R N -0.571 120.112 120.500 0.306 0.000 3.152 444 R HA -0.139 4.208 4.340 0.011 0.000 0.252 444 R C -2.976 173.577 176.300 0.421 0.000 0.930 444 R CA 0.189 56.483 56.100 0.324 0.000 0.642 444 R CB -2.193 28.281 30.300 0.290 0.000 1.205 444 R HN 0.275 nan 8.270 nan 0.000 0.452 445 P HA -0.001 nan 4.420 nan 0.000 0.272 445 P C 0.700 178.114 177.300 0.190 0.000 1.230 445 P CA -0.167 62.999 63.100 0.110 0.000 0.788 445 P CB 0.394 32.080 31.700 -0.025 0.000 0.949 446 R N 0.925 121.450 120.500 0.042 0.000 2.161 446 R HA 0.253 4.600 4.340 0.011 0.000 0.213 446 R C 0.906 177.191 176.300 -0.025 0.000 1.055 446 R CA 0.153 56.178 56.100 -0.126 0.000 0.996 446 R CB -0.615 29.377 30.300 -0.515 0.000 0.901 446 R HN 0.401 nan 8.270 nan 0.000 0.456 447 A N 3.366 126.175 122.820 -0.019 0.000 2.407 447 A HA 0.352 4.679 4.320 0.011 0.000 0.248 447 A C -2.143 175.424 177.584 -0.028 0.000 1.082 447 A CA -1.755 50.266 52.037 -0.026 0.000 0.785 447 A CB -0.009 18.985 19.000 -0.010 0.000 1.020 447 A HN 0.219 nan 8.150 nan 0.000 0.489 448 P HA 0.192 nan 4.420 nan 0.000 0.269 448 P C -0.841 176.465 177.300 0.010 0.000 1.209 448 P CA 0.299 63.333 63.100 -0.110 0.000 0.776 448 P CB 0.500 31.951 31.700 -0.415 0.000 0.876 449 I N 3.481 124.098 120.570 0.078 0.000 2.306 449 I HA 0.280 4.457 4.170 0.011 0.000 0.288 449 I C 0.610 176.840 176.117 0.188 0.000 1.036 449 I CA -0.585 60.786 61.300 0.120 0.000 1.221 449 I CB 0.386 38.456 38.000 0.117 0.000 1.385 449 I HN 0.111 nan 8.210 nan 0.000 0.472 450 I N 6.350 127.043 120.570 0.205 0.000 2.308 450 I HA 0.320 4.497 4.170 0.011 0.000 0.293 450 I C 0.589 176.819 176.117 0.188 0.000 1.078 450 I CA -0.111 61.355 61.300 0.277 0.000 1.292 450 I CB 0.828 39.016 38.000 0.312 0.000 1.423 450 I HN 0.590 nan 8.210 nan 0.000 0.493 451 A N 7.327 130.244 122.820 0.162 0.000 2.280 451 A HA 0.585 4.911 4.320 0.011 0.000 0.320 451 A C -0.262 177.362 177.584 0.067 0.000 1.366 451 A CA -0.453 51.635 52.037 0.084 0.000 0.938 451 A CB 0.418 19.445 19.000 0.046 0.000 1.157 451 A HN 0.468 nan 8.150 nan 0.000 0.536 452 V N 2.686 122.634 119.914 0.057 0.000 2.432 452 V HA 0.608 4.735 4.120 0.011 0.000 0.275 452 V C 0.612 176.718 176.094 0.019 0.000 1.043 452 V CA 0.032 62.356 62.300 0.040 0.000 0.925 452 V CB 1.111 32.955 31.823 0.036 0.000 0.985 452 V HN 0.911 nan 8.190 nan 0.000 0.466 453 T N 4.422 118.983 114.554 0.011 0.000 2.916 453 T HA 0.403 4.759 4.350 0.011 0.000 0.305 453 T C 0.580 175.291 174.700 0.018 0.000 1.119 453 T CA -0.662 61.447 62.100 0.015 0.000 1.008 453 T CB 1.596 70.471 68.868 0.011 0.000 1.129 453 T HN 0.659 nan 8.240 nan 0.000 0.480 454 R N 1.871 122.399 120.500 0.047 0.000 2.297 454 R HA 0.174 4.521 4.340 0.011 0.000 0.197 454 R C 0.498 176.896 176.300 0.163 0.000 0.943 454 R CA -0.122 56.028 56.100 0.083 0.000 1.038 454 R CB 0.165 30.515 30.300 0.082 0.000 0.957 454 R HN 0.368 nan 8.270 nan 0.000 0.484 455 N N 0.842 119.618 118.700 0.127 0.000 2.437 455 N HA -0.015 4.732 4.740 0.011 0.000 0.243 455 N C 0.232 175.858 175.510 0.194 0.000 1.041 455 N CA 0.082 53.229 53.050 0.162 0.000 0.940 455 N CB 0.753 39.296 38.487 0.094 0.000 1.133 455 N HN 0.074 nan 8.380 nan 0.000 0.506 456 H N 1.856 120.948 119.070 0.037 0.000 2.387 456 H HA -0.103 4.460 4.556 0.011 0.000 0.299 456 H C 1.617 176.976 175.328 0.051 0.000 1.090 456 H CA 1.538 57.616 56.048 0.051 0.000 1.332 456 H CB 0.269 30.061 29.762 0.050 0.000 1.386 456 H HN 0.664 nan 8.280 nan 0.000 0.516 457 Q N -0.054 119.850 119.800 0.174 0.000 2.123 457 Q HA -0.127 4.220 4.340 0.011 0.000 0.199 457 Q C 1.721 177.779 176.000 0.097 0.000 0.966 457 Q CA 1.614 57.485 55.803 0.113 0.000 0.845 457 Q CB 0.145 28.933 28.738 0.083 0.000 0.907 457 Q HN 0.398 nan 8.270 nan 0.000 0.439 458 T N 0.787 115.396 114.554 0.092 0.000 2.699 458 T HA -0.216 4.141 4.350 0.011 0.000 0.268 458 T C 1.755 176.488 174.700 0.054 0.000 1.036 458 T CA 1.422 63.571 62.100 0.082 0.000 1.147 458 T CB -0.422 68.479 68.868 0.056 0.000 0.862 458 T HN 0.487 nan 8.240 nan 0.000 0.446 459 A N 1.746 124.581 122.820 0.024 0.000 1.877 459 A HA -0.135 4.192 4.320 0.011 0.000 0.216 459 A C 2.396 179.917 177.584 -0.106 0.000 1.186 459 A CA 1.516 53.523 52.037 -0.049 0.000 0.620 459 A CB -0.505 18.465 19.000 -0.050 0.000 0.822 459 A HN 0.436 nan 8.150 nan 0.000 0.443 460 R N -0.649 119.849 120.500 -0.002 0.000 2.081 460 R HA -0.130 4.216 4.340 0.011 0.000 0.235 460 R C 2.366 178.711 176.300 0.076 0.000 1.131 460 R CA 1.633 57.764 56.100 0.051 0.000 0.960 460 R CB -0.344 30.020 30.300 0.106 0.000 0.856 460 R HN 0.676 nan 8.270 nan 0.000 0.436 461 Q N 0.000 119.854 119.800 0.089 0.000 2.297 461 Q HA 0.002 4.349 4.340 0.011 0.000 0.204 461 Q C 1.978 178.091 176.000 0.189 0.000 0.962 461 Q CA 0.942 56.830 55.803 0.141 0.000 0.879 461 Q CB 0.072 28.901 28.738 0.153 0.000 0.947 461 Q HN 0.340 nan 8.270 nan 0.000 0.462 462 A N 0.290 123.180 122.820 0.117 0.000 2.070 462 A HA -0.199 4.128 4.320 0.011 0.000 0.220 462 A C 1.201 178.893 177.584 0.180 0.000 1.159 462 A CA 1.180 53.322 52.037 0.176 0.000 0.656 462 A CB -0.649 18.367 19.000 0.027 0.000 0.800 462 A HN 0.438 nan 8.150 nan 0.000 0.453 463 H N -0.673 118.493 119.070 0.161 0.000 2.518 463 H HA 0.032 4.594 4.556 0.011 0.000 0.289 463 H C 1.546 176.932 175.328 0.097 0.000 1.051 463 H CA 0.896 57.011 56.048 0.112 0.000 1.280 463 H CB -0.145 29.654 29.762 0.062 0.000 1.380 463 H HN 0.415 nan 8.280 nan 0.000 0.566 464 L N -0.032 121.298 121.223 0.179 0.000 2.456 464 L HA -0.103 4.244 4.340 0.011 0.000 0.224 464 L C -0.211 176.510 176.870 -0.249 0.000 1.148 464 L CA 0.522 55.321 54.840 -0.069 0.000 0.825 464 L CB 0.008 41.934 42.059 -0.223 0.000 0.937 464 L HN 0.280 nan 8.230 nan 0.000 0.450 465 Y N -0.803 119.523 120.300 0.042 0.000 2.352 465 Y HA 0.400 4.956 4.550 0.010 0.000 0.339 465 Y C 0.552 176.499 175.900 0.078 0.000 0.992 465 Y CA -1.314 56.808 58.100 0.036 0.000 1.100 465 Y CB 0.913 39.397 38.460 0.040 0.000 1.192 465 Y HN -0.135 nan 8.280 nan 0.000 0.458 466 R N 1.666 122.275 120.500 0.182 0.000 2.504 466 R HA 0.262 4.609 4.340 0.011 0.000 0.291 466 R C 1.142 177.553 176.300 0.185 0.000 0.974 466 R CA 1.347 57.540 56.100 0.154 0.000 1.077 466 R CB -0.505 29.865 30.300 0.117 0.000 0.926 466 R HN 0.981 nan 8.270 nan 0.000 0.407 467 G N 3.860 112.764 108.800 0.173 0.000 2.205 467 G HA2 -0.291 3.676 3.960 0.011 0.000 0.261 467 G HA3 -0.291 3.676 3.960 0.011 0.000 0.261 467 G C 0.237 175.250 174.900 0.189 0.000 0.980 467 G CA 0.226 45.421 45.100 0.159 0.000 0.632 467 G HN 0.579 nan 8.290 nan 0.000 0.533 468 I N 0.887 121.589 120.570 0.219 0.000 2.379 468 I HA 0.393 4.570 4.170 0.011 0.000 0.290 468 I C -0.015 176.252 176.117 0.249 0.000 1.063 468 I CA -0.466 60.961 61.300 0.212 0.000 1.351 468 I CB 0.640 38.748 38.000 0.181 0.000 1.410 468 I HN 0.096 nan 8.210 nan 0.000 0.505 469 F N 10.117 130.128 119.950 0.102 0.000 2.293 469 F HA 0.428 4.962 4.527 0.011 0.000 0.370 469 F C -2.076 173.771 175.800 0.079 0.000 1.090 469 F CA -2.454 55.623 58.000 0.127 0.000 1.133 469 F CB 0.744 39.858 39.000 0.190 0.000 1.360 469 F HN 0.267 nan 8.300 nan 0.000 0.489 470 P HA 0.149 nan 4.420 nan 0.000 0.275 470 P C -1.139 176.084 177.300 -0.127 0.000 1.227 470 P CA -0.063 62.955 63.100 -0.138 0.000 0.781 470 P CB 2.127 33.669 31.700 -0.263 0.000 0.906 471 V N 4.042 123.951 119.914 -0.009 0.000 2.483 471 V HA 0.159 4.286 4.120 0.011 0.000 0.297 471 V C 0.231 176.331 176.094 0.009 0.000 1.027 471 V CA -0.850 61.468 62.300 0.030 0.000 0.855 471 V CB 2.252 34.142 31.823 0.111 0.000 0.995 471 V HN 0.260 nan 8.190 nan 0.000 0.424 472 V N 4.019 123.936 119.914 0.004 0.000 2.488 472 V HA 0.191 4.318 4.120 0.011 0.000 0.277 472 V C 0.389 176.450 176.094 -0.055 0.000 1.046 472 V CA -0.272 61.979 62.300 -0.081 0.000 0.986 472 V CB 1.278 32.967 31.823 -0.223 0.000 0.989 472 V HN 1.019 nan 8.190 nan 0.000 0.475 473 C N 6.445 125.720 119.300 -0.043 0.000 2.285 473 C HA 0.421 4.887 4.460 0.011 0.000 0.335 473 C C 1.272 176.258 174.990 -0.006 0.000 1.267 473 C CA -0.580 58.429 59.018 -0.015 0.000 1.762 473 C CB -0.295 27.444 27.740 -0.001 0.000 2.365 473 C HN 1.026 nan 8.230 nan 0.000 0.527 474 K N 2.396 122.793 120.400 -0.005 0.000 2.358 474 K HA 0.131 4.457 4.320 0.011 0.000 0.197 474 K C -0.115 176.498 176.600 0.022 0.000 1.025 474 K CA -0.016 56.285 56.287 0.023 0.000 1.104 474 K CB 0.204 32.706 32.500 0.003 0.000 0.855 474 K HN 0.744 nan 8.250 nan 0.000 0.531 475 D N 3.214 123.620 120.400 0.010 0.000 2.443 475 D HA 0.013 4.660 4.640 0.011 0.000 0.239 475 D C -2.238 174.070 176.300 0.013 0.000 1.136 475 D CA -0.960 53.044 54.000 0.006 0.000 0.879 475 D CB 0.376 41.174 40.800 -0.004 0.000 1.195 475 D HN -0.000 nan 8.370 nan 0.000 0.443 476 P HA -0.008 nan 4.420 nan 0.000 0.270 476 P C -0.456 176.853 177.300 0.016 0.000 1.223 476 P CA -0.437 62.673 63.100 0.016 0.000 0.785 476 P CB 0.470 32.177 31.700 0.011 0.000 0.923 477 V N 3.098 123.028 119.914 0.028 0.000 2.529 477 V HA -0.022 4.105 4.120 0.011 0.000 0.292 477 V C 1.004 177.116 176.094 0.030 0.000 1.028 477 V CA 0.128 62.451 62.300 0.038 0.000 1.074 477 V CB -0.233 31.628 31.823 0.065 0.000 0.958 477 V HN 0.467 nan 8.190 nan 0.000 0.481 478 Q N 3.637 123.449 119.800 0.019 0.000 2.327 478 Q HA 0.200 4.547 4.340 0.011 0.000 0.254 478 Q C 1.099 177.123 176.000 0.039 0.000 0.952 478 Q CA -0.118 55.692 55.803 0.012 0.000 0.884 478 Q CB 1.014 29.741 28.738 -0.018 0.000 1.224 478 Q HN 0.717 nan 8.270 nan 0.000 0.422 479 E N 1.159 121.377 120.200 0.031 0.000 2.085 479 E HA -0.109 4.248 4.350 0.011 0.000 0.194 479 E C -0.032 176.603 176.600 0.059 0.000 0.994 479 E CA 0.993 57.417 56.400 0.041 0.000 0.801 479 E CB 0.199 29.912 29.700 0.023 0.000 0.743 479 E HN 0.622 nan 8.360 nan 0.000 0.453 480 A N 1.002 123.848 122.820 0.043 0.000 2.309 480 A HA 0.009 4.336 4.320 0.011 0.000 0.290 480 A C 0.436 178.072 177.584 0.086 0.000 1.206 480 A CA -0.495 51.574 52.037 0.053 0.000 0.850 480 A CB -0.098 18.908 19.000 0.010 0.000 1.118 480 A HN 0.497 nan 8.150 nan 0.000 0.523 481 W N 3.143 124.396 121.300 -0.078 0.000 2.318 481 W HA -0.308 4.359 4.660 0.011 0.000 0.313 481 W C 1.715 178.169 176.519 -0.107 0.000 1.221 481 W CA 2.171 59.461 57.345 -0.093 0.000 1.266 481 W CB -0.113 29.276 29.460 -0.118 0.000 1.150 481 W HN 0.781 nan 8.180 nan 0.000 0.496 482 A N 0.673 123.415 122.820 -0.129 0.000 1.940 482 A HA -0.261 4.065 4.320 0.011 0.000 0.219 482 A C 1.776 179.213 177.584 -0.246 0.000 1.176 482 A CA 2.061 53.947 52.037 -0.252 0.000 0.631 482 A CB -0.945 17.963 19.000 -0.153 0.000 0.814 482 A HN 0.524 nan 8.150 nan 0.000 0.446 483 E N -0.875 119.229 120.200 -0.161 0.000 2.107 483 E HA -0.167 4.190 4.350 0.011 0.000 0.191 483 E C 1.639 178.135 176.600 -0.172 0.000 0.982 483 E CA 1.062 57.381 56.400 -0.134 0.000 0.809 483 E CB -0.145 29.510 29.700 -0.076 0.000 0.756 483 E HN 0.723 nan 8.360 nan 0.000 0.459 484 D N -0.028 120.242 120.400 -0.218 0.000 2.144 484 D HA -0.117 4.530 4.640 0.011 0.000 0.200 484 D C 1.851 177.930 176.300 -0.369 0.000 0.978 484 D CA 0.627 54.483 54.000 -0.240 0.000 0.833 484 D CB 0.276 40.966 40.800 -0.184 0.000 0.961 484 D HN -0.078 nan 8.370 nan 0.000 0.470 485 V N 0.693 120.253 119.914 -0.590 0.000 2.295 485 V HA -0.206 3.921 4.120 0.011 0.000 0.246 485 V C 1.824 177.741 176.094 -0.294 0.000 1.049 485 V CA 1.933 63.903 62.300 -0.550 0.000 1.024 485 V CB -0.527 30.871 31.823 -0.709 0.000 0.648 485 V HN 0.214 nan 8.190 nan 0.000 0.447 486 D N -0.109 120.145 120.400 -0.243 0.000 2.149 486 D HA -0.175 4.472 4.640 0.011 0.000 0.198 486 D C 2.031 178.266 176.300 -0.110 0.000 0.990 486 D CA 1.238 55.149 54.000 -0.149 0.000 0.839 486 D CB -0.348 40.378 40.800 -0.124 0.000 0.948 486 D HN 0.397 nan 8.370 nan 0.000 0.460 487 L N 0.480 121.633 121.223 -0.115 0.000 2.012 487 L HA -0.214 4.133 4.340 0.011 0.000 0.210 487 L C 2.336 179.169 176.870 -0.062 0.000 1.073 487 L CA 1.540 56.334 54.840 -0.077 0.000 0.748 487 L CB 0.028 42.042 42.059 -0.076 0.000 0.891 487 L HN -0.079 nan 8.230 nan 0.000 0.431 488 R N -1.097 119.351 120.500 -0.087 0.000 2.090 488 R HA -0.086 4.261 4.340 0.011 0.000 0.228 488 R C 2.111 178.392 176.300 -0.032 0.000 1.110 488 R CA 1.311 57.376 56.100 -0.057 0.000 0.973 488 R CB -0.344 29.908 30.300 -0.079 0.000 0.869 488 R HN 0.298 nan 8.270 nan 0.000 0.440 489 V N 1.705 121.587 119.914 -0.054 0.000 2.343 489 V HA -0.267 3.860 4.120 0.011 0.000 0.247 489 V C 2.125 178.222 176.094 0.005 0.000 1.051 489 V CA 1.740 64.025 62.300 -0.025 0.000 1.036 489 V CB -0.680 31.113 31.823 -0.051 0.000 0.654 489 V HN 0.459 nan 8.190 nan 0.000 0.451 490 N N 0.051 118.746 118.700 -0.009 0.000 2.166 490 N HA -0.179 4.567 4.740 0.011 0.000 0.186 490 N C 1.940 177.471 175.510 0.035 0.000 1.019 490 N CA 1.423 54.480 53.050 0.011 0.000 0.856 490 N CB -0.001 38.482 38.487 -0.007 0.000 0.993 490 N HN 0.396 nan 8.380 nan 0.000 0.426 491 L N 1.597 122.836 121.223 0.027 0.000 2.012 491 L HA -0.077 4.270 4.340 0.011 0.000 0.210 491 L C 2.340 179.257 176.870 0.078 0.000 1.073 491 L CA 1.967 56.832 54.840 0.042 0.000 0.748 491 L CB -1.046 41.030 42.059 0.029 0.000 0.891 491 L HN 0.135 nan 8.230 nan 0.000 0.431 492 A N -0.766 122.113 122.820 0.098 0.000 1.933 492 A HA -0.208 4.119 4.320 0.011 0.000 0.218 492 A C 2.215 179.948 177.584 0.248 0.000 1.175 492 A CA 2.092 54.228 52.037 0.165 0.000 0.628 492 A CB -0.539 18.559 19.000 0.163 0.000 0.814 492 A HN 0.517 nan 8.150 nan 0.000 0.444 493 M N -0.121 119.611 119.600 0.221 0.000 2.117 493 M HA -0.152 4.334 4.480 0.011 0.000 0.262 493 M C 1.751 178.206 176.300 0.258 0.000 1.065 493 M CA 1.605 57.098 55.300 0.323 0.000 1.114 493 M CB -1.801 30.892 32.600 0.155 0.000 1.361 493 M HN 0.571 nan 8.290 nan 0.000 0.408 494 N N -0.250 118.522 118.700 0.120 0.000 2.142 494 N HA -0.111 4.636 4.740 0.011 0.000 0.186 494 N C 1.787 177.284 175.510 -0.020 0.000 1.023 494 N CA 0.894 53.973 53.050 0.048 0.000 0.852 494 N CB 0.028 38.535 38.487 0.033 0.000 0.998 494 N HN 0.050 nan 8.380 nan 0.000 0.424 495 V N 0.864 120.775 119.914 -0.006 0.000 2.295 495 V HA -0.190 3.937 4.120 0.011 0.000 0.246 495 V C 2.439 178.340 176.094 -0.323 0.000 1.049 495 V CA 2.169 64.426 62.300 -0.072 0.000 1.024 495 V CB -1.189 30.674 31.823 0.066 0.000 0.648 495 V HN 0.442 nan 8.190 nan 0.000 0.447 496 G N -0.464 108.106 108.800 -0.383 0.000 2.440 496 G HA2 -0.251 3.715 3.960 0.011 0.000 0.218 496 G HA3 -0.251 3.715 3.960 0.011 0.000 0.218 496 G C 1.662 175.906 174.900 -1.095 0.000 1.154 496 G CA 0.894 45.342 45.100 -1.088 0.000 0.767 496 G HN 0.473 nan 8.290 nan 0.000 0.552 497 K N 0.534 120.593 120.400 -0.569 0.000 2.057 497 K HA 0.019 4.345 4.320 0.011 0.000 0.207 497 K C 2.946 179.384 176.600 -0.271 0.000 1.049 497 K CA 1.027 57.147 56.287 -0.277 0.000 0.931 497 K CB -0.234 32.249 32.500 -0.027 0.000 0.714 497 K HN 0.274 nan 8.250 nan 0.000 0.440 498 A N 1.397 124.061 122.820 -0.260 0.000 1.972 498 A HA -0.116 4.211 4.320 0.011 0.000 0.219 498 A C 1.905 179.316 177.584 -0.289 0.000 1.169 498 A CA 1.157 53.071 52.037 -0.206 0.000 0.635 498 A CB -0.153 18.761 19.000 -0.143 0.000 0.810 498 A HN 0.111 nan 8.150 nan 0.000 0.446 499 R N -1.272 118.913 120.500 -0.524 0.000 2.297 499 R HA 0.107 4.454 4.340 0.011 0.000 0.197 499 R C 1.234 177.181 176.300 -0.588 0.000 0.943 499 R CA 0.729 56.408 56.100 -0.702 0.000 1.038 499 R CB -0.497 28.949 30.300 -1.423 0.000 0.957 499 R HN 0.799 nan 8.270 nan 0.000 0.484 500 G N 1.110 109.648 108.800 -0.437 0.000 2.160 500 G HA2 -0.259 3.708 3.960 0.011 0.000 0.251 500 G HA3 -0.259 3.708 3.960 0.011 0.000 0.251 500 G C 0.472 175.342 174.900 -0.051 0.000 1.008 500 G CA 0.124 45.108 45.100 -0.193 0.000 0.724 500 G HN 0.240 nan 8.290 nan 0.000 0.514 501 F N -0.328 119.403 119.950 -0.364 0.000 2.367 501 F HA 0.363 4.898 4.527 0.013 0.000 0.298 501 F C 1.410 177.121 175.800 -0.148 0.000 1.094 501 F CA 0.568 58.370 58.000 -0.330 0.000 1.409 501 F CB -0.609 38.086 39.000 -0.508 0.000 1.064 501 F HN 0.430 nan 8.300 nan 0.000 0.528 502 F N -1.294 118.736 119.950 0.134 0.000 2.817 502 F HA 0.584 5.117 4.527 0.011 0.000 0.317 502 F C -0.882 174.937 175.800 0.032 0.000 1.168 502 F CA -2.352 55.691 58.000 0.072 0.000 0.911 502 F CB 1.103 40.143 39.000 0.067 0.000 1.337 502 F HN -0.215 nan 8.300 nan 0.000 0.464 503 K N 0.168 120.784 120.400 0.360 0.000 2.495 503 K HA 0.449 4.775 4.320 0.011 0.000 0.268 503 K C -1.367 175.331 176.600 0.164 0.000 1.008 503 K CA -1.254 55.161 56.287 0.214 0.000 0.882 503 K CB 2.333 34.899 32.500 0.110 0.000 1.443 503 K HN 0.814 nan 8.250 nan 0.000 0.447 504 K N 0.076 120.539 120.400 0.105 0.000 2.543 504 K HA -0.078 4.249 4.320 0.011 0.000 0.279 504 K C 0.668 177.288 176.600 0.032 0.000 1.001 504 K CA 2.141 58.461 56.287 0.054 0.000 1.088 504 K CB -0.466 32.057 32.500 0.037 0.000 0.863 504 K HN 0.887 nan 8.250 nan 0.000 0.488 505 G N 3.112 111.914 108.800 0.004 0.000 2.234 505 G HA2 -0.216 3.750 3.960 0.011 0.000 0.235 505 G HA3 -0.216 3.750 3.960 0.011 0.000 0.235 505 G C -0.148 174.744 174.900 -0.014 0.000 0.997 505 G CA 0.197 45.293 45.100 -0.006 0.000 0.623 505 G HN 0.725 nan 8.290 nan 0.000 0.514 506 D N 0.080 120.476 120.400 -0.008 0.000 2.363 506 D HA 0.484 5.131 4.640 0.011 0.000 0.240 506 D C 0.658 176.903 176.300 -0.091 0.000 1.236 506 D CA 0.196 54.182 54.000 -0.023 0.000 0.927 506 D CB 1.429 42.244 40.800 0.025 0.000 1.150 506 D HN 0.239 nan 8.370 nan 0.000 0.458 507 V N 0.582 120.441 119.914 -0.091 0.000 2.581 507 V HA 0.505 4.631 4.120 0.011 0.000 0.303 507 V C 0.146 176.144 176.094 -0.160 0.000 1.041 507 V CA -0.721 61.511 62.300 -0.114 0.000 0.907 507 V CB 1.801 33.585 31.823 -0.064 0.000 0.994 507 V HN 0.426 nan 8.190 nan 0.000 0.442 508 V N 2.268 122.069 119.914 -0.187 0.000 3.040 508 V HA 0.685 4.812 4.120 0.011 0.000 0.312 508 V C -0.825 175.207 176.094 -0.104 0.000 1.115 508 V CA -0.919 61.275 62.300 -0.178 0.000 0.998 508 V CB 2.271 33.912 31.823 -0.303 0.000 1.042 508 V HN 0.553 nan 8.190 nan 0.000 0.433 509 I N 2.837 123.365 120.570 -0.069 0.000 2.353 509 I HA 0.566 4.743 4.170 0.011 0.000 0.293 509 I C -0.104 175.996 176.117 -0.028 0.000 0.992 509 I CA -0.587 60.686 61.300 -0.045 0.000 1.268 509 I CB 1.330 39.305 38.000 -0.042 0.000 1.387 509 I HN 0.507 nan 8.210 nan 0.000 0.478 510 V N 7.424 127.327 119.914 -0.018 0.000 2.444 510 V HA 0.446 4.573 4.120 0.011 0.000 0.294 510 V C -0.080 176.023 176.094 0.015 0.000 1.022 510 V CA -0.597 61.700 62.300 -0.004 0.000 0.850 510 V CB 2.229 34.042 31.823 -0.017 0.000 0.992 510 V HN 0.450 nan 8.190 nan 0.000 0.426 511 L N 5.499 126.738 121.223 0.026 0.000 2.305 511 L HA 0.802 5.149 4.340 0.011 0.000 0.284 511 L C 0.245 177.142 176.870 0.046 0.000 1.013 511 L CA 0.031 54.897 54.840 0.043 0.000 0.819 511 L CB 2.010 44.101 42.059 0.053 0.000 1.227 511 L HN 0.912 nan 8.230 nan 0.000 0.417 512 T N -0.444 114.147 114.554 0.062 0.000 2.841 512 T HA 0.656 5.013 4.350 0.011 0.000 0.296 512 T C -0.169 174.606 174.700 0.126 0.000 1.166 512 T CA -0.742 61.402 62.100 0.075 0.000 1.007 512 T CB 1.747 70.635 68.868 0.034 0.000 1.253 512 T HN 0.526 nan 8.240 nan 0.000 0.511 513 G N -0.222 108.709 108.800 0.218 0.000 2.356 513 G HA2 0.385 4.352 3.960 0.011 0.000 0.298 513 G HA3 0.385 4.352 3.960 0.011 0.000 0.298 513 G C 0.409 175.573 174.900 0.441 0.000 1.145 513 G CA -0.862 44.390 45.100 0.253 0.000 0.850 513 G HN 0.816 nan 8.290 nan 0.000 0.487 514 W N 2.975 124.333 121.300 0.096 0.000 2.358 514 W HA 0.031 4.698 4.660 0.012 0.000 0.303 514 W C 0.151 176.787 176.519 0.195 0.000 1.208 514 W CA 0.640 58.064 57.345 0.131 0.000 1.274 514 W CB 0.359 29.820 29.460 0.001 0.000 1.138 514 W HN 0.278 nan 8.180 nan 0.000 0.515 515 R N -1.277 119.223 120.500 -0.001 0.000 2.888 515 R HA 0.247 4.594 4.340 0.011 0.000 0.266 515 R C -1.534 174.057 176.300 -1.181 0.000 1.020 515 R CA -2.245 53.508 56.100 -0.580 0.000 0.963 515 R CB 0.204 30.331 30.300 -0.288 0.000 1.197 515 R HN -0.283 nan 8.270 nan 0.000 0.481 516 P HA -0.090 nan 4.420 nan 0.000 0.218 516 P C 0.955 177.828 177.300 -0.712 0.000 1.148 516 P CA 1.367 63.463 63.100 -1.674 0.000 0.822 516 P CB 0.219 31.337 31.700 -0.970 0.000 0.784 517 G N -1.373 107.147 108.800 -0.465 0.000 2.880 517 G HA2 -0.037 3.930 3.960 0.011 0.000 0.209 517 G HA3 -0.037 3.930 3.960 0.011 0.000 0.209 517 G C 0.358 175.162 174.900 -0.159 0.000 1.157 517 G CA -0.031 44.927 45.100 -0.237 0.000 0.779 517 G HN 0.186 nan 8.290 nan 0.000 0.539 518 S N 0.349 115.936 115.700 -0.188 0.000 2.546 518 S HA 0.303 4.780 4.470 0.011 0.000 0.290 518 S C 1.580 176.134 174.600 -0.076 0.000 1.290 518 S CA 0.167 58.284 58.200 -0.138 0.000 1.069 518 S CB 1.473 64.581 63.200 -0.154 0.000 0.846 518 S HN 0.314 nan 8.310 nan 0.000 0.495 519 G N 1.720 110.530 108.800 0.016 0.000 2.985 519 G HA2 0.366 4.333 3.960 0.011 0.000 0.209 519 G HA3 0.366 4.333 3.960 0.011 0.000 0.209 519 G C 0.028 175.109 174.900 0.301 0.000 1.165 519 G CA 0.021 45.220 45.100 0.164 0.000 0.776 519 G HN 0.654 nan 8.290 nan 0.000 0.541 520 F N -2.303 117.669 119.950 0.037 0.000 2.877 520 F HA 0.515 5.049 4.527 0.011 0.000 0.319 520 F C -0.284 175.557 175.800 0.069 0.000 1.174 520 F CA -1.289 56.735 58.000 0.040 0.000 0.903 520 F CB 0.557 39.574 39.000 0.028 0.000 1.357 520 F HN -0.087 nan 8.300 nan 0.000 0.472 521 T N 0.380 115.007 114.554 0.121 0.000 2.987 521 T HA 0.209 4.566 4.350 0.011 0.000 0.288 521 T C 0.145 174.811 174.700 -0.057 0.000 0.981 521 T CA -0.282 61.831 62.100 0.021 0.000 1.031 521 T CB -0.702 68.222 68.868 0.094 0.000 0.976 521 T HN 0.727 nan 8.240 nan 0.000 0.612 522 N N 1.473 119.963 118.700 -0.349 0.000 2.322 522 N HA 0.065 4.811 4.740 0.011 0.000 0.194 522 N C -0.431 175.042 175.510 -0.062 0.000 1.126 522 N CA -0.506 52.357 53.050 -0.312 0.000 0.845 522 N CB 0.293 38.400 38.487 -0.634 0.000 0.976 522 N HN 0.505 nan 8.380 nan 0.000 0.475 523 T N 1.213 115.780 114.554 0.023 0.000 2.840 523 T HA 0.335 4.692 4.350 0.011 0.000 0.287 523 T C -0.883 173.861 174.700 0.072 0.000 0.991 523 T CA -0.670 61.479 62.100 0.082 0.000 0.964 523 T CB 1.762 70.778 68.868 0.246 0.000 0.954 523 T HN 0.044 nan 8.240 nan 0.000 0.438 524 M N 3.635 123.264 119.600 0.048 0.000 2.383 524 M HA 0.589 5.076 4.480 0.011 0.000 0.325 524 M C -1.317 175.000 176.300 0.029 0.000 1.092 524 M CA -0.512 54.808 55.300 0.034 0.000 0.961 524 M CB 1.632 34.243 32.600 0.019 0.000 1.672 524 M HN 0.625 nan 8.290 nan 0.000 0.438 525 R N 1.971 122.483 120.500 0.020 0.000 2.744 525 R HA 0.648 4.995 4.340 0.011 0.000 0.279 525 R C -1.398 174.895 176.300 -0.012 0.000 0.977 525 R CA -0.880 55.226 56.100 0.011 0.000 0.906 525 R CB 2.822 33.133 30.300 0.019 0.000 1.197 525 R HN 0.559 nan 8.270 nan 0.000 0.463 526 V N 3.803 123.707 119.914 -0.017 0.000 2.383 526 V HA 0.451 4.578 4.120 0.011 0.000 0.275 526 V C -0.865 175.207 176.094 -0.037 0.000 1.036 526 V CA -0.258 62.022 62.300 -0.032 0.000 0.889 526 V CB 1.415 33.220 31.823 -0.030 0.000 0.985 526 V HN 0.446 nan 8.190 nan 0.000 0.459 527 V N 9.194 129.073 119.914 -0.058 0.000 2.588 527 V HA 0.533 4.659 4.120 0.011 0.000 0.304 527 V C -2.381 173.658 176.094 -0.092 0.000 1.042 527 V CA -1.697 60.564 62.300 -0.066 0.000 0.877 527 V CB 2.261 34.042 31.823 -0.070 0.000 0.996 527 V HN 0.799 nan 8.190 nan 0.000 0.425 528 P HA 0.211 nan 4.420 nan 0.000 0.275 528 P C -0.408 176.827 177.300 -0.109 0.000 1.228 528 P CA -0.105 62.944 63.100 -0.085 0.000 0.786 528 P CB 1.168 32.837 31.700 -0.052 0.000 0.927 529 V N 5.614 125.442 119.914 -0.144 0.000 2.521 529 V HA 0.104 4.231 4.120 0.011 0.000 0.286 529 V C -1.254 174.812 176.094 -0.045 0.000 1.034 529 V CA -0.842 61.372 62.300 -0.143 0.000 1.045 529 V CB 0.091 31.798 31.823 -0.193 0.000 0.974 529 V HN 0.652 nan 8.190 nan 0.000 0.480 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 530 P CB 0.000 31.698 31.700 -0.004 0.000 0.726