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 2waq_1_A DATA FIRST_RESID 4 DATA SEQUENCE KNIKGIKFGI LSPDEIRKMS VTAIITPXXX XXXXXXXXGS VMDPRLGVIE DATA SEQUENCE PGQKCPTCGN TLGNCPGHFG HIELVRPVIH VGFVKHVYEF LKATCRRCGR DATA SEQUENCE VKISEDEIEK YSRIYNAIKK RWPSAARRLT EYVKKTAMKA QVCPHCGEKQ DATA SEQUENCE FKIXXXXXXX XXXXXXXXXX XLTPSDIRER LEKVPESDVE ILGYDPTTSR DATA SEQUENCE PEWMILTVLP VPPITIRPSI MXXXXXXAED DLTHKLVDIV RINERLKESI DATA SEQUENCE DAGAPQLIIE DLWDLLQYHV ATYFDNEIPG LPPSKHRSGR PLRTLAQRLK DATA SEQUENCE GKEGRFRGNL SGKRVDFSSR TVISPDPNIS IDEVGVPEII ARTLTVPERI DATA SEQUENCE TPWNIEKLRQ FVINGPDKWP GANYVIRPDG RRIDLRYVKD RKELASTLAP DATA SEQUENCE GYVVERHLTD GDVVLFNRQP SLHRISMMAH RVRVLKGLTF RLNLLVCPPY DATA SEQUENCE NADFDGDEMN LHVPQSEEAI AEAKEIMLVH KNIITPRYGG PIIGAAQDYI DATA SEQUENCE SGAYLLTVKT TLLTKEEAQQ ILGVADVKID LGEPAILAPR EYYTGKQVVS DATA SEQUENCE AFLPKDFNFH GQANVSSGPR LcKNEDcPHD SYVVIKNGIL LEGVFDKKAI DATA SEQUENCE GNQQPESILH WLIKEYSDEY GKWLMDNLFR VFIRFVELQG FTMRLEDVSL DATA SEQUENCE GDDVKKEIYN EIDRAKVEVD NLIQKYKNGE LEPIPGRTLE ESLENYILDT DATA SEQUENCE LDKLRSTAGD IASKYLDPFN FAYVMARTGA RGSVLNITQM AAMLGQQSVR DATA SEQUENCE GERIKRGYMT RTLPHFKPYD ISPEARGFIY SSFRTGLKPT ELFFHAAGGR DATA SEQUENCE EGLVDTAVRT SQSGYMQRRL INALSDLRAE YDGTVRSLYG EVIQVAYGDD DATA SEQUENCE GVFPMYSAHG KTVDVNRIFE RVVGWK 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.597 176.600 -0.005 0.000 0.988 4 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 4 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 5 N N 0.432 119.130 118.700 -0.005 0.000 2.402 5 N HA 0.542 5.283 4.740 0.001 0.000 0.294 5 N C -0.872 174.635 175.510 -0.006 0.000 1.203 5 N CA -0.587 52.460 53.050 -0.004 0.000 0.838 5 N CB 1.021 39.506 38.487 -0.004 0.000 1.306 5 N HN 0.371 nan 8.380 nan 0.000 0.510 6 I N 1.385 121.952 120.570 -0.005 0.000 2.325 6 I HA 0.149 4.320 4.170 0.001 0.000 0.291 6 I C 1.636 177.751 176.117 -0.003 0.000 1.019 6 I CA -0.148 61.148 61.300 -0.007 0.000 1.302 6 I CB 1.185 39.181 38.000 -0.006 0.000 1.401 6 I HN 0.481 nan 8.210 nan 0.000 0.485 7 K N 4.548 124.945 120.400 -0.005 0.000 2.067 7 K HA 0.186 4.507 4.320 0.001 0.000 0.203 7 K C 0.744 177.347 176.600 0.006 0.000 1.048 7 K CA 0.719 57.006 56.287 -0.000 0.000 0.954 7 K CB 0.349 32.848 32.500 -0.001 0.000 0.737 7 K HN 0.856 nan 8.250 nan 0.000 0.444 8 G N -0.165 108.636 108.800 0.001 0.000 2.619 8 G HA2 0.508 4.468 3.960 0.001 0.000 0.305 8 G HA3 0.508 4.468 3.960 0.001 0.000 0.305 8 G C -1.700 173.186 174.900 -0.024 0.000 1.330 8 G CA -0.832 44.274 45.100 0.009 0.000 0.789 8 G HN 0.080 nan 8.290 nan 0.000 0.487 9 I N 0.633 121.184 120.570 -0.032 0.000 2.512 9 I HA 0.312 4.483 4.170 0.001 0.000 0.287 9 I C -0.326 175.674 176.117 -0.196 0.000 1.069 9 I CA -0.646 60.552 61.300 -0.171 0.000 1.056 9 I CB 2.377 40.210 38.000 -0.279 0.000 1.229 9 I HN 0.193 nan 8.210 nan 0.000 0.429 10 K N 5.581 125.856 120.400 -0.208 0.000 2.276 10 K HA 0.509 4.829 4.320 0.001 0.000 0.283 10 K C -1.102 175.335 176.600 -0.271 0.000 1.044 10 K CA -0.090 56.122 56.287 -0.125 0.000 0.944 10 K CB 0.934 33.394 32.500 -0.067 0.000 1.012 10 K HN 0.275 nan 8.250 nan 0.000 0.472 11 F N 0.302 120.269 119.950 0.028 0.000 2.507 11 F HA 0.639 5.166 4.527 0.001 0.000 0.327 11 F C 0.911 176.735 175.800 0.041 0.000 1.068 11 F CA -0.098 57.923 58.000 0.035 0.000 0.965 11 F CB 2.363 41.387 39.000 0.040 0.000 1.192 11 F HN 0.644 nan 8.300 nan 0.000 0.476 12 G N 1.089 110.045 108.800 0.260 0.000 2.441 12 G HA2 0.457 4.417 3.960 0.001 0.000 0.294 12 G HA3 0.457 4.417 3.960 0.001 0.000 0.294 12 G C -1.965 173.022 174.900 0.145 0.000 1.393 12 G CA -0.958 44.245 45.100 0.172 0.000 0.796 12 G HN 0.513 nan 8.290 nan 0.000 0.494 13 I N 0.641 121.280 120.570 0.115 0.000 2.342 13 I HA 0.274 4.444 4.170 0.001 0.000 0.291 13 I C -0.055 176.110 176.117 0.080 0.000 1.010 13 I CA -0.621 60.721 61.300 0.071 0.000 1.308 13 I CB 1.514 39.474 38.000 -0.067 0.000 1.400 13 I HN 0.242 nan 8.210 nan 0.000 0.488 14 L N 7.531 128.744 121.223 -0.017 0.000 2.485 14 L HA 0.114 4.454 4.340 0.001 0.000 0.279 14 L C 0.723 177.406 176.870 -0.312 0.000 1.124 14 L CA 0.370 55.121 54.840 -0.149 0.000 0.888 14 L CB -0.020 41.973 42.059 -0.111 0.000 1.217 14 L HN 0.747 nan 8.230 nan 0.000 0.464 15 S N 5.023 120.306 115.700 -0.694 0.000 2.560 15 S HA 0.219 4.690 4.470 0.001 0.000 0.284 15 S C -1.647 172.556 174.600 -0.662 0.000 1.327 15 S CA -0.895 56.556 58.200 -1.248 0.000 1.055 15 S CB 0.466 62.425 63.200 -2.068 0.000 0.868 15 S HN 0.553 nan 8.310 nan 0.000 0.506 16 P HA -0.099 nan 4.420 nan 0.000 0.220 16 P C 0.281 177.416 177.300 -0.276 0.000 1.144 16 P CA 1.308 64.242 63.100 -0.276 0.000 0.800 16 P CB -0.064 31.542 31.700 -0.155 0.000 0.772 17 D N -0.345 119.856 120.400 -0.332 0.000 2.077 17 D HA -0.142 4.498 4.640 0.001 0.000 0.196 17 D C 1.862 178.020 176.300 -0.237 0.000 0.986 17 D CA 1.094 54.947 54.000 -0.245 0.000 0.829 17 D CB -0.722 39.940 40.800 -0.230 0.000 0.983 17 D HN 0.253 nan 8.370 nan 0.000 0.453 18 E N 0.075 120.104 120.200 -0.285 0.000 2.153 18 E HA -0.127 4.224 4.350 0.001 0.000 0.194 18 E C 2.127 178.590 176.600 -0.229 0.000 0.988 18 E CA 0.467 56.728 56.400 -0.232 0.000 0.811 18 E CB -0.076 29.476 29.700 -0.248 0.000 0.746 18 E HN 0.341 nan 8.360 nan 0.000 0.466 19 I N 0.727 121.122 120.570 -0.291 0.000 2.142 19 I HA -0.302 3.869 4.170 0.001 0.000 0.240 19 I C 2.430 178.219 176.117 -0.547 0.000 1.078 19 I CA 1.300 62.370 61.300 -0.384 0.000 1.343 19 I CB -0.232 37.546 38.000 -0.369 0.000 1.046 19 I HN 0.010 nan 8.210 nan 0.000 0.405 20 R N 0.826 121.090 120.500 -0.394 0.000 2.096 20 R HA -0.101 4.239 4.340 0.001 0.000 0.235 20 R C 0.762 177.003 176.300 -0.098 0.000 1.127 20 R CA 0.635 56.577 56.100 -0.265 0.000 0.968 20 R CB -0.310 29.897 30.300 -0.155 0.000 0.861 20 R HN 0.106 nan 8.270 nan 0.000 0.440 21 K N 1.189 121.534 120.400 -0.092 0.000 2.405 21 K HA -0.157 4.163 4.320 0.001 0.000 0.273 21 K C 0.682 177.297 176.600 0.024 0.000 1.116 21 K CA 0.573 56.839 56.287 -0.035 0.000 1.155 21 K CB 0.165 32.632 32.500 -0.055 0.000 0.858 21 K HN 0.092 nan 8.250 nan 0.000 0.477 22 M N -0.261 119.360 119.600 0.036 0.000 2.798 22 M HA -0.325 4.156 4.480 0.001 0.000 0.145 22 M C -0.042 176.313 176.300 0.092 0.000 0.700 22 M CA 1.480 56.811 55.300 0.053 0.000 0.553 22 M CB -2.399 30.224 32.600 0.038 0.000 2.039 22 M HN 0.542 nan 8.290 nan 0.000 0.258 23 S N 1.641 117.435 115.700 0.156 0.000 2.549 23 S HA 0.386 4.857 4.470 0.001 0.000 0.283 23 S C 0.719 175.419 174.600 0.166 0.000 1.320 23 S CA -0.210 58.111 58.200 0.203 0.000 1.058 23 S CB 1.043 64.454 63.200 0.352 0.000 0.882 23 S HN 0.359 nan 8.310 nan 0.000 0.498 24 V N 1.851 121.786 119.914 0.035 0.000 3.178 24 V HA 0.344 4.464 4.120 0.001 0.000 0.306 24 V C 0.386 176.441 176.094 -0.066 0.000 1.107 24 V CA -0.268 62.028 62.300 -0.008 0.000 1.195 24 V CB -0.039 31.762 31.823 -0.036 0.000 0.993 24 V HN 0.800 nan 8.190 nan 0.000 0.493 25 T N 2.523 117.080 114.554 0.006 0.000 2.881 25 T HA 0.697 5.047 4.350 0.001 0.000 0.291 25 T C 0.053 174.761 174.700 0.013 0.000 0.990 25 T CA 0.260 62.386 62.100 0.044 0.000 0.976 25 T CB 1.282 70.234 68.868 0.140 0.000 0.970 25 T HN 1.308 nan 8.240 nan 0.000 0.438 26 A N 2.861 125.679 122.820 -0.003 0.000 2.366 26 A HA 0.719 5.039 4.320 0.001 0.000 0.249 26 A C 0.634 178.218 177.584 0.000 0.000 1.084 26 A CA -0.094 51.936 52.037 -0.012 0.000 0.794 26 A CB 0.054 19.037 19.000 -0.027 0.000 1.034 26 A HN 0.936 nan 8.150 nan 0.000 0.491 27 I N 0.055 120.619 120.570 -0.010 0.000 4.193 27 I HA 0.138 4.309 4.170 0.001 0.000 0.287 27 I C 0.278 176.385 176.117 -0.017 0.000 1.175 27 I CA 0.107 61.402 61.300 -0.008 0.000 1.320 27 I CB -0.098 37.899 38.000 -0.005 0.000 1.523 27 I HN 0.541 nan 8.210 nan 0.000 0.450 28 I N 0.267 120.823 120.570 -0.023 0.000 3.276 28 I HA 0.192 4.363 4.170 0.001 0.000 0.306 28 I C 1.139 177.232 176.117 -0.040 0.000 1.060 28 I CA -0.029 61.254 61.300 -0.028 0.000 1.133 28 I CB 0.634 38.618 38.000 -0.027 0.000 1.473 28 I HN -0.018 nan 8.210 nan 0.000 0.649 29 T N -0.282 114.245 114.554 -0.045 0.000 3.111 29 T HA 0.178 4.528 4.350 0.001 0.000 0.236 29 T C -1.492 173.170 174.700 -0.063 0.000 0.984 29 T CA 0.160 62.224 62.100 -0.061 0.000 1.195 29 T CB -0.853 67.977 68.868 -0.065 0.000 0.929 29 T HN 0.533 nan 8.240 nan 0.000 0.431 43 S N -0.573 115.113 115.700 -0.023 0.000 2.931 43 S HA 0.285 4.755 4.470 0.001 0.000 0.251 43 S C 0.668 175.251 174.600 -0.027 0.000 1.078 43 S CA 0.877 59.063 58.200 -0.024 0.000 0.835 43 S CB 0.487 63.674 63.200 -0.021 0.000 0.798 43 S HN 0.597 nan 8.310 nan 0.000 0.495 44 V N 2.764 122.662 119.914 -0.027 0.000 2.154 44 V HA 0.558 4.679 4.120 0.001 0.000 0.265 44 V C 0.264 176.338 176.094 -0.033 0.000 1.293 44 V CA 0.043 62.326 62.300 -0.028 0.000 1.205 44 V CB 0.068 31.877 31.823 -0.023 0.000 1.306 44 V HN 0.553 nan 8.190 nan 0.000 0.479 45 M N 0.182 119.759 119.600 -0.038 0.000 1.522 45 M HA 0.092 4.573 4.480 0.001 0.000 0.220 45 M C 0.211 176.485 176.300 -0.045 0.000 0.919 45 M CA 0.972 56.246 55.300 -0.044 0.000 0.880 45 M CB 0.558 33.131 32.600 -0.045 0.000 1.807 45 M HN 0.509 nan 8.290 nan 0.000 0.688 46 D N 0.749 121.126 120.400 -0.039 0.000 3.012 46 D HA 0.245 4.885 4.640 0.001 0.000 0.284 46 D C -2.102 174.178 176.300 -0.033 0.000 1.259 46 D CA 0.609 54.588 54.000 -0.035 0.000 1.036 46 D CB -0.639 40.143 40.800 -0.029 0.000 1.167 46 D HN 0.266 nan 8.370 nan 0.000 0.429 47 P HA 0.247 nan 4.420 nan 0.000 0.274 47 P C -0.417 176.856 177.300 -0.044 0.000 1.246 47 P CA 0.182 63.262 63.100 -0.033 0.000 0.795 47 P CB 1.077 32.758 31.700 -0.030 0.000 1.006 48 R N -1.014 119.451 120.500 -0.059 0.000 3.584 48 R HA -0.105 4.235 4.340 0.001 0.000 0.488 48 R C 0.560 176.806 176.300 -0.090 0.000 0.869 48 R CA 0.757 56.801 56.100 -0.094 0.000 1.325 48 R CB -2.241 28.014 30.300 -0.076 0.000 2.015 48 R HN 0.392 nan 8.270 nan 0.000 0.489 49 L N -0.326 120.883 121.223 -0.022 0.000 3.014 49 L HA 0.470 4.811 4.340 0.001 0.000 0.263 49 L C 0.855 177.827 176.870 0.170 0.000 1.207 49 L CA 0.204 55.080 54.840 0.060 0.000 1.017 49 L CB 1.319 43.363 42.059 -0.024 0.000 1.360 49 L HN 0.420 nan 8.230 nan 0.000 0.560 50 G N 0.658 109.572 108.800 0.190 0.000 2.371 50 G HA2 0.035 3.996 3.960 0.001 0.000 0.663 50 G HA3 0.035 3.996 3.960 0.001 0.000 0.663 50 G C -1.062 173.873 174.900 0.058 0.000 1.311 50 G CA -0.446 44.768 45.100 0.190 0.000 0.985 50 G HN 0.019 nan 8.290 nan 0.000 0.566 51 V N -1.264 118.676 119.914 0.043 0.000 2.325 51 V HA 0.703 4.824 4.120 0.001 0.000 0.280 51 V C 0.629 176.726 176.094 0.005 0.000 1.016 51 V CA -0.674 61.635 62.300 0.015 0.000 0.818 51 V CB 0.587 32.418 31.823 0.013 0.000 1.019 51 V HN 1.341 nan 8.190 nan 0.000 0.434 52 I N 1.253 121.822 120.570 -0.002 0.000 2.441 52 I HA 0.656 4.826 4.170 0.001 0.000 0.287 52 I C 0.272 176.386 176.117 -0.005 0.000 1.049 52 I CA 0.095 61.391 61.300 -0.006 0.000 1.381 52 I CB 0.125 38.119 38.000 -0.010 0.000 1.409 52 I HN 0.878 nan 8.210 nan 0.000 0.523 53 E N 3.272 123.469 120.200 -0.005 0.000 8.380 53 E HA -0.134 4.216 4.350 0.001 0.000 0.467 53 E C -2.379 174.219 176.600 -0.002 0.000 0.976 53 E CA -0.436 55.962 56.400 -0.004 0.000 1.699 53 E CB -0.849 28.848 29.700 -0.004 0.000 0.997 53 E HN 0.659 nan 8.360 nan 0.000 0.265 54 P HA 0.013 nan 4.420 nan 0.000 0.263 54 P C 0.259 177.559 177.300 -0.001 0.000 1.175 54 P CA 1.091 64.191 63.100 -0.000 0.000 0.761 54 P CB 0.856 32.557 31.700 0.001 0.000 0.794 55 G N 1.970 110.770 108.800 -0.000 0.000 2.680 55 G HA2 0.078 4.039 3.960 0.001 0.000 0.092 55 G HA3 0.078 4.039 3.960 0.001 0.000 0.092 55 G C -0.698 174.202 174.900 -0.001 0.000 1.097 55 G CA -0.211 44.888 45.100 -0.001 0.000 1.368 55 G HN 0.497 nan 8.290 nan 0.000 0.619 56 Q N -0.355 119.444 119.800 -0.002 0.000 3.182 56 Q HA 0.541 4.881 4.340 0.001 0.000 0.212 56 Q C -0.595 175.404 176.000 -0.002 0.000 1.099 56 Q CA -0.747 55.054 55.803 -0.003 0.000 0.680 56 Q CB 1.038 29.773 28.738 -0.005 0.000 3.554 56 Q HN 0.254 nan 8.270 nan 0.000 0.361 57 K N -0.005 120.393 120.400 -0.004 0.000 2.106 57 K HA 0.348 4.669 4.320 0.001 0.000 0.246 57 K C -0.779 175.814 176.600 -0.010 0.000 0.987 57 K CA -0.547 55.737 56.287 -0.004 0.000 0.904 57 K CB 1.352 33.848 32.500 -0.006 0.000 1.071 57 K HN 0.392 nan 8.250 nan 0.000 0.453 58 C N 2.669 121.963 119.300 -0.010 0.000 2.585 58 C HA 0.188 4.648 4.460 0.001 0.000 0.406 58 C C -1.245 173.706 174.990 -0.065 0.000 1.312 58 C CA -1.771 57.228 59.018 -0.031 0.000 1.924 58 C CB -0.160 27.572 27.740 -0.014 0.000 2.578 58 C HN 0.631 nan 8.230 nan 0.000 0.580 59 P HA -0.087 nan 4.420 nan 0.000 0.216 59 P C 1.605 178.838 177.300 -0.111 0.000 1.153 59 P CA 1.721 64.772 63.100 -0.080 0.000 0.848 59 P CB -0.024 31.632 31.700 -0.073 0.000 0.787 60 T N -2.823 111.616 114.554 -0.191 0.000 3.055 60 T HA -0.027 4.324 4.350 0.001 0.000 0.265 60 T C 1.157 175.747 174.700 -0.183 0.000 1.111 60 T CA 1.394 63.362 62.100 -0.221 0.000 1.118 60 T CB -0.528 68.126 68.868 -0.357 0.000 0.909 60 T HN 0.207 nan 8.240 nan 0.000 0.501 61 C N -1.979 117.224 119.300 -0.160 0.000 3.347 61 C HA 0.797 5.258 4.460 0.001 0.000 0.116 61 C C 1.291 176.258 174.990 -0.038 0.000 2.669 61 C CA 0.117 59.093 59.018 -0.071 0.000 0.869 61 C CB 0.401 28.125 27.740 -0.025 0.000 1.520 61 C HN 0.475 nan 8.230 nan 0.000 0.648 62 G N 2.055 110.844 108.800 -0.017 0.000 2.481 62 G HA2 0.113 4.073 3.960 0.001 0.000 0.234 62 G HA3 0.113 4.073 3.960 0.001 0.000 0.234 62 G C -1.400 173.505 174.900 0.008 0.000 2.038 62 G CA -0.457 44.639 45.100 -0.007 0.000 0.899 62 G HN 0.728 nan 8.290 nan 0.000 0.543 63 N N 1.264 119.977 118.700 0.021 0.000 2.417 63 N HA 0.533 5.273 4.740 0.001 0.000 0.274 63 N C 0.232 175.753 175.510 0.018 0.000 0.987 63 N CA -0.735 52.328 53.050 0.022 0.000 0.912 63 N CB 1.466 39.971 38.487 0.030 0.000 1.177 63 N HN 0.194 nan 8.380 nan 0.000 0.490 64 T N 2.360 116.921 114.554 0.011 0.000 2.932 64 T HA 0.167 4.517 4.350 0.001 0.000 0.312 64 T C 0.780 175.485 174.700 0.010 0.000 1.071 64 T CA -0.165 61.940 62.100 0.009 0.000 1.128 64 T CB 0.181 69.053 68.868 0.006 0.000 0.984 64 T HN 0.393 nan 8.240 nan 0.000 0.549 65 L N -0.018 121.209 121.223 0.008 0.000 3.233 65 L HA -0.206 4.134 4.340 0.001 0.000 0.335 65 L C 1.764 178.639 176.870 0.008 0.000 1.091 65 L CA 0.649 55.493 54.840 0.006 0.000 1.236 65 L CB -1.119 40.943 42.059 0.005 0.000 1.164 65 L HN 0.889 nan 8.230 nan 0.000 0.490 66 G N -0.681 108.121 108.800 0.003 0.000 2.807 66 G HA2 -0.138 3.822 3.960 0.001 0.000 0.207 66 G HA3 -0.138 3.822 3.960 0.001 0.000 0.207 66 G C 0.701 175.601 174.900 -0.000 0.000 1.151 66 G CA 0.808 45.908 45.100 0.000 0.000 0.800 66 G HN 0.593 nan 8.290 nan 0.000 0.523 67 N N -0.347 118.356 118.700 0.005 0.000 2.362 67 N HA 0.061 4.801 4.740 0.001 0.000 0.211 67 N C -0.278 175.241 175.510 0.014 0.000 1.170 67 N CA -0.129 52.924 53.050 0.005 0.000 0.828 67 N CB -0.180 38.310 38.487 0.006 0.000 1.034 67 N HN 0.055 nan 8.380 nan 0.000 0.475 68 C N 1.277 120.591 119.300 0.023 0.000 3.471 68 C HA 0.470 4.930 4.460 0.001 0.000 0.191 68 C C -2.616 172.398 174.990 0.041 0.000 1.480 68 C CA -1.367 57.685 59.018 0.057 0.000 1.281 68 C CB -0.851 26.946 27.740 0.094 0.000 1.898 68 C HN 0.282 nan 8.230 nan 0.000 0.533 69 P HA 0.642 nan 4.420 nan 0.000 0.283 69 P C -0.032 177.042 177.300 -0.377 0.000 1.271 69 P CA 0.504 63.513 63.100 -0.151 0.000 0.841 69 P CB 1.067 32.709 31.700 -0.097 0.000 1.122 70 G N 0.918 109.436 108.800 -0.470 0.000 2.858 70 G HA2 -0.052 3.909 3.960 0.001 0.000 0.272 70 G HA3 -0.052 3.909 3.960 0.001 0.000 0.272 70 G C -0.960 173.496 174.900 -0.740 0.000 1.003 70 G CA -0.707 44.114 45.100 -0.465 0.000 1.241 70 G HN 0.762 nan 8.290 nan 0.000 0.569 71 H N 0.478 119.502 119.070 -0.076 0.000 3.018 71 H HA 0.394 4.950 4.556 0.001 0.000 0.334 71 H C -0.748 174.515 175.328 -0.108 0.000 0.983 71 H CA -1.026 55.012 56.048 -0.016 0.000 1.363 71 H CB 0.995 30.739 29.762 -0.030 0.000 1.668 71 H HN 0.235 nan 8.280 nan 0.000 0.513 72 F N 1.488 121.451 119.950 0.022 0.000 2.411 72 F HA 0.404 4.931 4.527 0.001 0.000 0.350 72 F C 1.398 176.985 175.800 -0.356 0.000 1.114 72 F CA 0.021 57.972 58.000 -0.081 0.000 1.135 72 F CB 1.355 40.374 39.000 0.031 0.000 1.120 72 F HN 0.581 nan 8.300 nan 0.000 0.495 73 G N 2.245 110.924 108.800 -0.202 0.000 2.547 73 G HA2 0.462 4.422 3.960 0.001 0.000 0.291 73 G HA3 0.462 4.422 3.960 0.001 0.000 0.291 73 G C -1.176 173.458 174.900 -0.443 0.000 1.211 73 G CA -0.365 44.536 45.100 -0.331 0.000 0.950 73 G HN 0.615 nan 8.290 nan 0.000 0.504 74 H N -1.087 118.030 119.070 0.078 0.000 2.930 74 H HA 0.447 5.003 4.556 0.001 0.000 0.371 74 H C -0.914 174.434 175.328 0.032 0.000 1.169 74 H CA -0.537 55.551 56.048 0.067 0.000 1.157 74 H CB 1.969 31.766 29.762 0.058 0.000 1.789 74 H HN 0.275 nan 8.280 nan 0.000 0.547 75 I N 1.611 122.279 120.570 0.163 0.000 2.436 75 I HA 0.170 4.340 4.170 0.001 0.000 0.289 75 I C -0.185 175.976 176.117 0.072 0.000 1.010 75 I CA -0.464 60.882 61.300 0.077 0.000 1.098 75 I CB 2.151 40.165 38.000 0.023 0.000 1.266 75 I HN 0.404 nan 8.210 nan 0.000 0.434 76 E N 6.298 126.530 120.200 0.052 0.000 2.046 76 E HA 0.317 4.667 4.350 0.001 0.000 0.279 76 E C -1.086 175.539 176.600 0.041 0.000 0.989 76 E CA -0.674 55.752 56.400 0.043 0.000 0.798 76 E CB 0.963 30.683 29.700 0.034 0.000 1.086 76 E HN 0.260 nan 8.360 nan 0.000 0.399 77 L N 3.782 125.037 121.223 0.053 0.000 2.315 77 L HA 0.169 4.510 4.340 0.001 0.000 0.283 77 L C 0.126 177.033 176.870 0.061 0.000 1.089 77 L CA -0.123 54.754 54.840 0.062 0.000 0.833 77 L CB 0.683 42.794 42.059 0.086 0.000 1.170 77 L HN 0.342 nan 8.230 nan 0.000 0.442 78 V N 7.232 127.180 119.914 0.055 0.000 2.389 78 V HA 0.395 4.515 4.120 0.001 0.000 0.264 78 V C -0.155 175.982 176.094 0.071 0.000 1.049 78 V CA -0.235 62.095 62.300 0.050 0.000 0.932 78 V CB -0.227 31.618 31.823 0.035 0.000 1.011 78 V HN 0.893 nan 8.190 nan 0.000 0.475 79 R N 3.619 124.160 120.500 0.069 0.000 1.712 79 R HA -0.080 4.260 4.340 0.001 0.000 0.399 79 R C -2.762 173.630 176.300 0.153 0.000 1.166 79 R CA 0.192 56.349 56.100 0.095 0.000 0.748 79 R CB -1.850 28.515 30.300 0.109 0.000 2.558 79 R HN 0.581 nan 8.270 nan 0.000 0.492 80 P HA 0.033 nan 4.420 nan 0.000 0.267 80 P C -0.512 176.910 177.300 0.203 0.000 1.195 80 P CA -0.176 63.016 63.100 0.153 0.000 0.773 80 P CB 0.612 32.388 31.700 0.127 0.000 0.837 81 V N 3.778 123.808 119.914 0.193 0.000 2.540 81 V HA 0.335 4.455 4.120 0.001 0.000 0.302 81 V C 0.427 176.645 176.094 0.208 0.000 1.035 81 V CA -0.755 61.661 62.300 0.192 0.000 0.873 81 V CB 1.519 33.445 31.823 0.171 0.000 0.992 81 V HN 0.344 nan 8.190 nan 0.000 0.428 82 I N 2.923 123.601 120.570 0.180 0.000 2.588 82 I HA 0.189 4.360 4.170 0.001 0.000 0.283 82 I C 0.358 176.627 176.117 0.255 0.000 1.119 82 I CA -0.120 61.300 61.300 0.200 0.000 1.419 82 I CB 0.086 38.171 38.000 0.142 0.000 1.394 82 I HN 0.654 nan 8.210 nan 0.000 0.562 83 H N 5.270 124.485 119.070 0.241 0.000 2.864 83 H HA 0.179 4.735 4.556 0.001 0.000 0.281 83 H C 1.000 176.429 175.328 0.169 0.000 1.093 83 H CA -0.515 55.683 56.048 0.249 0.000 1.453 83 H CB 1.043 30.995 29.762 0.317 0.000 1.462 83 H HN 0.531 nan 8.280 nan 0.000 0.480 84 V N 2.401 122.370 119.914 0.092 0.000 2.469 84 V HA -0.153 3.968 4.120 0.001 0.000 0.251 84 V C 2.224 178.370 176.094 0.087 0.000 1.064 84 V CA 1.871 64.215 62.300 0.073 0.000 1.066 84 V CB -0.958 30.870 31.823 0.008 0.000 0.667 84 V HN 0.837 nan 8.190 nan 0.000 0.461 85 G N -1.061 107.790 108.800 0.085 0.000 2.509 85 G HA2 -0.093 3.867 3.960 0.001 0.000 0.218 85 G HA3 -0.093 3.867 3.960 0.001 0.000 0.218 85 G C 1.062 175.879 174.900 -0.138 0.000 1.124 85 G CA 0.646 45.702 45.100 -0.075 0.000 0.776 85 G HN 0.568 nan 8.290 nan 0.000 0.547 86 F N -0.857 119.256 119.950 0.272 0.000 2.678 86 F HA 0.312 4.839 4.527 0.001 0.000 0.305 86 F C 2.019 177.978 175.800 0.266 0.000 1.090 86 F CA -0.887 57.267 58.000 0.258 0.000 1.272 86 F CB 0.289 39.347 39.000 0.098 0.000 1.060 86 F HN -0.005 nan 8.300 nan 0.000 0.576 87 V N 2.043 122.155 119.914 0.330 0.000 2.720 87 V HA -0.220 3.900 4.120 0.001 0.000 0.256 87 V C 2.414 178.634 176.094 0.210 0.000 1.082 87 V CA 1.742 64.180 62.300 0.231 0.000 1.101 87 V CB -0.420 31.480 31.823 0.128 0.000 0.693 87 V HN 0.296 nan 8.190 nan 0.000 0.479 88 K N -1.527 118.979 120.400 0.176 0.000 2.305 88 K HA -0.094 4.226 4.320 0.001 0.000 0.199 88 K C 1.696 178.329 176.600 0.055 0.000 1.047 88 K CA 1.206 57.545 56.287 0.088 0.000 0.976 88 K CB -0.462 32.017 32.500 -0.035 0.000 0.765 88 K HN 0.565 nan 8.250 nan 0.000 0.474 89 H N 0.826 120.045 119.070 0.249 0.000 2.415 89 H HA 0.075 4.631 4.556 0.001 0.000 0.297 89 H C 2.329 177.812 175.328 0.259 0.000 1.048 89 H CA 1.050 57.245 56.048 0.246 0.000 1.365 89 H CB 0.252 30.193 29.762 0.299 0.000 1.421 89 H HN -0.039 nan 8.280 nan 0.000 0.533 90 V N 1.030 121.174 119.914 0.383 0.000 2.358 90 V HA -0.279 3.842 4.120 0.001 0.000 0.246 90 V C 2.281 178.553 176.094 0.297 0.000 1.047 90 V CA 1.774 64.257 62.300 0.306 0.000 1.035 90 V CB -0.871 31.084 31.823 0.220 0.000 0.658 90 V HN 0.387 nan 8.190 nan 0.000 0.452 91 Y N 0.958 121.346 120.300 0.147 0.000 2.274 91 Y HA -0.198 4.353 4.550 0.001 0.000 0.290 91 Y C 2.546 178.499 175.900 0.088 0.000 1.145 91 Y CA 1.812 59.973 58.100 0.103 0.000 1.203 91 Y CB 0.035 38.538 38.460 0.072 0.000 0.984 91 Y HN 0.321 nan 8.280 nan 0.000 0.533 92 E N -0.291 119.864 120.200 -0.075 0.000 2.106 92 E HA -0.197 4.153 4.350 0.001 0.000 0.192 92 E C 1.866 178.347 176.600 -0.198 0.000 0.984 92 E CA 1.220 57.494 56.400 -0.210 0.000 0.806 92 E CB -0.331 29.295 29.700 -0.122 0.000 0.750 92 E HN 0.523 nan 8.360 nan 0.000 0.458 93 F N 0.850 120.736 119.950 -0.106 0.000 2.134 93 F HA -0.175 4.352 4.527 0.001 0.000 0.299 93 F C 2.150 177.889 175.800 -0.101 0.000 1.097 93 F CA 0.939 58.874 58.000 -0.108 0.000 1.264 93 F CB -0.083 38.841 39.000 -0.127 0.000 1.001 93 F HN -0.024 nan 8.300 nan 0.000 0.479 94 L N -0.471 120.803 121.223 0.085 0.000 2.275 94 L HA -0.175 4.165 4.340 0.001 0.000 0.215 94 L C 2.096 178.929 176.870 -0.062 0.000 1.119 94 L CA 1.105 55.961 54.840 0.027 0.000 0.790 94 L CB -0.540 41.562 42.059 0.070 0.000 0.919 94 L HN 0.052 nan 8.230 nan 0.000 0.443 95 K N 0.253 120.541 120.400 -0.187 0.000 2.288 95 K HA 0.049 4.370 4.320 0.001 0.000 0.201 95 K C 0.969 177.508 176.600 -0.101 0.000 1.048 95 K CA 0.878 57.049 56.287 -0.194 0.000 0.956 95 K CB 0.134 32.444 32.500 -0.316 0.000 0.746 95 K HN 0.230 nan 8.250 nan 0.000 0.461 96 A N 1.377 124.149 122.820 -0.080 0.000 3.105 96 A HA 0.253 4.574 4.320 0.001 0.000 0.297 96 A C -0.718 176.864 177.584 -0.004 0.000 0.977 96 A CA -0.394 51.613 52.037 -0.051 0.000 1.020 96 A CB 0.604 19.551 19.000 -0.088 0.000 1.098 96 A HN -0.057 nan 8.150 nan 0.000 0.497 97 T N -0.713 113.848 114.554 0.010 0.000 2.971 97 T HA 0.135 4.485 4.350 0.001 0.000 0.304 97 T C 0.744 175.454 174.700 0.017 0.000 1.038 97 T CA 0.008 62.124 62.100 0.028 0.000 1.007 97 T CB 1.310 70.210 68.868 0.053 0.000 1.055 97 T HN 0.538 nan 8.240 nan 0.000 0.451 98 C N 3.315 122.622 119.300 0.011 0.000 2.409 98 C HA 0.010 4.470 4.460 0.001 0.000 0.288 98 C C 2.059 177.055 174.990 0.010 0.000 1.395 98 C CA 0.962 59.983 59.018 0.005 0.000 1.792 98 C CB -1.568 26.171 27.740 -0.002 0.000 1.847 98 C HN 1.136 nan 8.230 nan 0.000 0.534 99 R N -2.388 118.122 120.500 0.015 0.000 3.569 99 R HA -0.214 4.127 4.340 0.001 0.000 0.372 99 R C 1.416 177.722 176.300 0.011 0.000 0.548 99 R CA 2.065 58.177 56.100 0.020 0.000 1.528 99 R CB -1.353 28.964 30.300 0.029 0.000 1.868 99 R HN 0.501 nan 8.270 nan 0.000 0.376 100 R N -0.968 119.535 120.500 0.005 0.000 2.469 100 R HA 0.313 4.653 4.340 0.001 0.000 0.250 100 R C 0.582 176.879 176.300 -0.005 0.000 0.909 100 R CA 0.795 56.895 56.100 0.000 0.000 1.050 100 R CB 0.955 31.256 30.300 0.001 0.000 1.256 100 R HN 0.291 nan 8.270 nan 0.000 0.550 101 C N -2.582 116.715 119.300 -0.004 0.000 3.612 101 C HA 0.901 5.361 4.460 0.001 0.000 0.105 101 C C 1.076 176.063 174.990 -0.005 0.000 2.515 101 C CA -0.088 58.926 59.018 -0.007 0.000 1.830 101 C CB 0.553 28.288 27.740 -0.008 0.000 3.181 101 C HN 0.436 nan 8.230 nan 0.000 0.407 102 G N -0.613 108.187 108.800 -0.001 0.000 2.635 102 G HA2 0.503 4.463 3.960 0.001 0.000 0.194 102 G HA3 0.503 4.463 3.960 0.001 0.000 0.194 102 G C 0.215 175.120 174.900 0.009 0.000 1.198 102 G CA 0.890 45.996 45.100 0.010 0.000 0.972 102 G HN 1.045 nan 8.290 nan 0.000 0.520 103 R N -1.473 119.036 120.500 0.014 0.000 1.266 103 R HA -0.338 4.003 4.340 0.001 0.000 0.032 103 R C 0.799 177.096 176.300 -0.005 0.000 0.958 103 R CA 2.465 58.567 56.100 0.003 0.000 1.756 103 R CB -2.347 27.951 30.300 -0.003 0.000 0.325 103 R HN 1.805 nan 8.270 nan 0.000 0.654 104 V N 2.435 122.346 119.914 -0.005 0.000 6.029 104 V HA -0.226 3.894 4.120 0.001 0.000 0.242 104 V C 0.361 176.450 176.094 -0.008 0.000 0.637 104 V CA 2.118 64.414 62.300 -0.007 0.000 0.603 104 V CB -0.950 30.868 31.823 -0.008 0.000 0.423 104 V HN 0.629 nan 8.190 nan 0.000 0.520 105 K N 0.624 121.020 120.400 -0.006 0.000 2.373 105 K HA 0.656 4.977 4.320 0.001 0.000 0.274 105 K C 0.133 176.731 176.600 -0.002 0.000 1.024 105 K CA -0.713 55.572 56.287 -0.003 0.000 0.867 105 K CB 1.934 34.431 32.500 -0.005 0.000 1.524 105 K HN 0.093 nan 8.250 nan 0.000 0.406 106 I N -0.461 120.110 120.570 0.001 0.000 5.682 106 I HA 0.209 4.379 4.170 0.001 0.000 0.235 106 I C 0.982 177.100 176.117 0.002 0.000 0.788 106 I CA 0.083 61.384 61.300 0.002 0.000 2.300 106 I CB -0.509 37.494 38.000 0.005 0.000 1.429 106 I HN 0.433 nan 8.210 nan 0.000 0.494 107 S N -0.450 115.254 115.700 0.006 0.000 2.960 107 S HA 0.206 4.677 4.470 0.001 0.000 0.256 107 S C 0.776 175.384 174.600 0.013 0.000 1.017 107 S CA -0.311 57.893 58.200 0.007 0.000 1.144 107 S CB 0.450 63.655 63.200 0.008 0.000 1.109 107 S HN 0.334 nan 8.310 nan 0.000 0.638 108 E N 1.304 121.513 120.200 0.015 0.000 2.445 108 E HA 0.007 4.357 4.350 0.001 0.000 0.189 108 E C 0.267 176.879 176.600 0.019 0.000 1.069 108 E CA 0.076 56.490 56.400 0.024 0.000 0.871 108 E CB 0.086 29.802 29.700 0.026 0.000 0.991 108 E HN 0.314 nan 8.360 nan 0.000 0.481 109 D N 1.545 121.948 120.400 0.005 0.000 2.097 109 D HA -0.162 4.479 4.640 0.001 0.000 0.195 109 D C 1.580 177.866 176.300 -0.024 0.000 0.989 109 D CA 1.051 55.045 54.000 -0.009 0.000 0.827 109 D CB 0.034 40.824 40.800 -0.017 0.000 0.966 109 D HN 0.228 nan 8.370 nan 0.000 0.456 110 E N 0.043 120.227 120.200 -0.026 0.000 2.085 110 E HA -0.147 4.203 4.350 0.001 0.000 0.194 110 E C 2.070 178.666 176.600 -0.006 0.000 0.994 110 E CA 0.538 56.902 56.400 -0.059 0.000 0.801 110 E CB 0.006 29.696 29.700 -0.016 0.000 0.743 110 E HN 0.260 nan 8.360 nan 0.000 0.453 111 I N 1.063 121.678 120.570 0.076 0.000 2.454 111 I HA -0.192 3.978 4.170 0.001 0.000 0.254 111 I C 0.964 177.167 176.117 0.144 0.000 1.156 111 I CA 1.425 62.812 61.300 0.145 0.000 1.433 111 I CB -0.667 37.389 38.000 0.093 0.000 1.082 111 I HN 0.079 nan 8.210 nan 0.000 0.432 112 E N 0.423 120.666 120.200 0.071 0.000 2.830 112 E HA 0.138 4.489 4.350 0.001 0.000 0.225 112 E C 0.866 177.475 176.600 0.016 0.000 1.109 112 E CA -0.058 56.379 56.400 0.060 0.000 1.392 112 E CB 0.483 30.207 29.700 0.040 0.000 1.349 112 E HN 0.299 nan 8.360 nan 0.000 0.433 113 K N -0.714 119.666 120.400 -0.033 0.000 2.464 113 K HA 0.112 4.433 4.320 0.001 0.000 0.206 113 K C 0.722 177.269 176.600 -0.088 0.000 1.186 113 K CA 0.055 56.270 56.287 -0.120 0.000 0.990 113 K CB 0.558 32.925 32.500 -0.221 0.000 1.003 113 K HN 0.136 nan 8.250 nan 0.000 0.562 114 Y N 0.869 121.272 120.300 0.172 0.000 2.395 114 Y HA -0.116 4.434 4.550 0.001 0.000 0.293 114 Y C 2.356 178.391 175.900 0.225 0.000 1.123 114 Y CA 1.122 59.401 58.100 0.298 0.000 1.227 114 Y CB 0.022 38.563 38.460 0.136 0.000 1.012 114 Y HN 0.012 nan 8.280 nan 0.000 0.552 115 S N -0.402 115.451 115.700 0.256 0.000 2.558 115 S HA 0.015 4.485 4.470 0.001 0.000 0.217 115 S C 1.839 176.495 174.600 0.094 0.000 0.975 115 S CA 0.137 58.434 58.200 0.161 0.000 0.912 115 S CB 0.006 63.281 63.200 0.125 0.000 0.776 115 S HN 0.434 nan 8.310 nan 0.000 0.526 116 R N 0.551 121.087 120.500 0.060 0.000 2.074 116 R HA 0.236 4.576 4.340 0.001 0.000 0.218 116 R C 1.660 177.930 176.300 -0.051 0.000 1.137 116 R CA 0.621 56.717 56.100 -0.006 0.000 0.998 116 R CB -0.035 30.245 30.300 -0.033 0.000 0.895 116 R HN 0.320 nan 8.270 nan 0.000 0.442 117 I N 0.322 120.826 120.570 -0.110 0.000 2.429 117 I HA -0.101 4.069 4.170 0.001 0.000 0.247 117 I C 0.723 176.653 176.117 -0.312 0.000 1.099 117 I CA 1.031 62.148 61.300 -0.305 0.000 1.422 117 I CB -0.693 36.957 38.000 -0.583 0.000 1.112 117 I HN 0.122 nan 8.210 nan 0.000 0.430 118 Y N 1.567 121.898 120.300 0.053 0.000 2.933 118 Y HA 0.304 4.854 4.550 0.001 0.000 0.380 118 Y C 0.513 176.451 175.900 0.063 0.000 1.056 118 Y CA -0.168 57.974 58.100 0.071 0.000 1.704 118 Y CB -0.727 37.803 38.460 0.117 0.000 1.558 118 Y HN 0.111 nan 8.280 nan 0.000 0.501 119 N N 0.680 119.453 118.700 0.122 0.000 2.750 119 N HA 0.343 5.084 4.740 0.001 0.000 0.253 119 N C 0.207 175.747 175.510 0.051 0.000 1.408 119 N CA 0.072 53.178 53.050 0.093 0.000 0.780 119 N CB 1.171 39.711 38.487 0.088 0.000 1.191 119 N HN 0.416 nan 8.380 nan 0.000 0.511 120 A N 1.428 124.279 122.820 0.052 0.000 2.140 120 A HA 0.152 4.472 4.320 0.001 0.000 0.209 120 A C 1.851 179.456 177.584 0.034 0.000 1.181 120 A CA 0.182 52.238 52.037 0.032 0.000 0.824 120 A CB 0.159 19.177 19.000 0.030 0.000 0.879 120 A HN 0.345 nan 8.150 nan 0.000 0.480 121 I N 0.066 120.665 120.570 0.047 0.000 2.133 121 I HA -0.054 4.116 4.170 0.001 0.000 0.238 121 I C 0.480 176.618 176.117 0.036 0.000 1.074 121 I CA 1.218 62.544 61.300 0.044 0.000 1.342 121 I CB -1.111 36.921 38.000 0.053 0.000 1.053 121 I HN 0.097 nan 8.210 nan 0.000 0.404 122 K N 0.782 121.209 120.400 0.045 0.000 2.110 122 K HA 0.290 4.611 4.320 0.001 0.000 0.263 122 K C 0.613 177.221 176.600 0.014 0.000 0.975 122 K CA -0.048 56.263 56.287 0.040 0.000 0.895 122 K CB 1.499 34.050 32.500 0.085 0.000 1.060 122 K HN -0.008 nan 8.250 nan 0.000 0.448 123 K N 1.047 121.429 120.400 -0.030 0.000 2.554 123 K HA 0.124 4.445 4.320 0.001 0.000 0.211 123 K C 1.094 177.614 176.600 -0.134 0.000 1.226 123 K CA 0.006 56.254 56.287 -0.065 0.000 1.025 123 K CB 0.761 33.218 32.500 -0.073 0.000 1.021 123 K HN 0.353 nan 8.250 nan 0.000 0.600 124 R N -0.201 120.180 120.500 -0.197 0.000 2.210 124 R HA 0.025 4.365 4.340 0.001 0.000 0.203 124 R C 0.607 176.549 176.300 -0.596 0.000 1.010 124 R CA 0.871 56.688 56.100 -0.473 0.000 1.008 124 R CB 0.412 30.296 30.300 -0.695 0.000 0.923 124 R HN 0.199 nan 8.270 nan 0.000 0.469 125 W N -0.872 120.417 121.300 -0.019 0.000 2.355 125 W HA 0.253 4.913 4.660 0.001 0.000 0.303 125 W C -1.654 174.857 176.519 -0.012 0.000 0.939 125 W CA -0.169 57.168 57.345 -0.013 0.000 1.377 125 W CB 0.240 29.698 29.460 -0.004 0.000 1.048 125 W HN -0.004 nan 8.180 nan 0.000 0.542 126 P HA -0.118 nan 4.420 nan 0.000 0.223 126 P C 1.724 179.047 177.300 0.038 0.000 1.151 126 P CA 1.795 64.949 63.100 0.089 0.000 0.787 126 P CB -0.071 31.664 31.700 0.058 0.000 0.788 127 S N 0.301 116.003 115.700 0.004 0.000 2.383 127 S HA -0.034 4.437 4.470 0.001 0.000 0.227 127 S C 2.248 176.838 174.600 -0.017 0.000 1.026 127 S CA 0.973 59.147 58.200 -0.045 0.000 0.981 127 S CB -1.315 61.831 63.200 -0.090 0.000 0.818 127 S HN 0.133 nan 8.310 nan 0.000 0.472 128 A N 1.937 124.797 122.820 0.068 0.000 1.930 128 A HA 0.397 4.717 4.320 0.001 0.000 0.217 128 A C 2.458 180.088 177.584 0.076 0.000 1.175 128 A CA 1.463 53.571 52.037 0.119 0.000 0.627 128 A CB -1.296 17.902 19.000 0.329 0.000 0.815 128 A HN 0.849 nan 8.150 nan 0.000 0.443 129 A N -0.384 122.485 122.820 0.081 0.000 2.066 129 A HA -0.051 4.269 4.320 0.001 0.000 0.218 129 A C 2.038 179.626 177.584 0.006 0.000 1.157 129 A CA 1.127 53.195 52.037 0.052 0.000 0.670 129 A CB -0.323 18.717 19.000 0.066 0.000 0.804 129 A HN 0.504 nan 8.150 nan 0.000 0.453 130 R N -1.109 119.378 120.500 -0.022 0.000 2.319 130 R HA 0.184 4.525 4.340 0.001 0.000 0.204 130 R C 1.589 177.824 176.300 -0.109 0.000 0.954 130 R CA 0.322 56.382 56.100 -0.065 0.000 1.066 130 R CB 0.069 30.316 30.300 -0.088 0.000 0.991 130 R HN 0.421 nan 8.270 nan 0.000 0.486 131 R N -1.454 118.976 120.500 -0.117 0.000 2.383 131 R HA 0.138 4.478 4.340 0.001 0.000 0.205 131 R C 0.995 177.096 176.300 -0.333 0.000 0.875 131 R CA -0.106 55.854 56.100 -0.233 0.000 1.039 131 R CB 0.244 30.411 30.300 -0.221 0.000 1.267 131 R HN 0.016 nan 8.270 nan 0.000 0.635 132 L N 1.129 122.288 121.223 -0.107 0.000 2.549 132 L HA -0.052 4.289 4.340 0.001 0.000 0.229 132 L C 1.641 178.550 176.870 0.065 0.000 1.158 132 L CA 1.650 56.537 54.840 0.078 0.000 0.842 132 L CB -0.280 41.861 42.059 0.138 0.000 0.952 132 L HN 0.171 nan 8.230 nan 0.000 0.452 133 T N -2.665 111.870 114.554 -0.032 0.000 2.939 133 T HA -0.047 4.304 4.350 0.001 0.000 0.254 133 T C 1.640 176.310 174.700 -0.049 0.000 1.041 133 T CA 0.485 62.573 62.100 -0.019 0.000 1.142 133 T CB -0.046 68.802 68.868 -0.032 0.000 0.874 133 T HN 0.294 nan 8.240 nan 0.000 0.452 134 E N 0.342 120.453 120.200 -0.147 0.000 2.338 134 E HA -0.082 4.268 4.350 0.001 0.000 0.197 134 E C 1.574 178.104 176.600 -0.117 0.000 1.007 134 E CA 0.637 56.937 56.400 -0.167 0.000 0.849 134 E CB -0.214 29.342 29.700 -0.240 0.000 0.774 134 E HN 0.520 nan 8.360 nan 0.000 0.506 135 Y N -0.271 120.019 120.300 -0.016 0.000 2.145 135 Y HA -0.197 4.353 4.550 0.001 0.000 0.286 135 Y C 2.301 178.196 175.900 -0.009 0.000 1.145 135 Y CA 0.726 58.820 58.100 -0.009 0.000 1.148 135 Y CB -0.721 37.737 38.460 -0.003 0.000 0.981 135 Y HN -0.038 nan 8.280 nan 0.000 0.507 136 V N -0.186 119.818 119.914 0.151 0.000 2.951 136 V HA -0.155 3.965 4.120 0.001 0.000 0.255 136 V C 1.843 177.962 176.094 0.041 0.000 1.088 136 V CA 1.291 63.640 62.300 0.081 0.000 1.109 136 V CB -0.253 31.607 31.823 0.063 0.000 0.724 136 V HN 0.347 nan 8.190 nan 0.000 0.471 137 K N -0.065 120.346 120.400 0.019 0.000 2.097 137 K HA -0.112 4.208 4.320 0.001 0.000 0.205 137 K C 1.975 178.569 176.600 -0.010 0.000 1.050 137 K CA 1.346 57.627 56.287 -0.010 0.000 0.938 137 K CB -0.100 32.374 32.500 -0.042 0.000 0.718 137 K HN 0.400 nan 8.250 nan 0.000 0.442 138 K N 0.072 120.471 120.400 -0.001 0.000 2.432 138 K HA 0.005 4.326 4.320 0.001 0.000 0.196 138 K C 0.272 176.890 176.600 0.030 0.000 1.038 138 K CA 0.825 57.114 56.287 0.003 0.000 0.986 138 K CB 0.508 33.015 32.500 0.011 0.000 0.782 138 K HN 0.006 nan 8.250 nan 0.000 0.485 139 T N 0.530 115.108 114.554 0.040 0.000 3.393 139 T HA 0.437 4.787 4.350 0.001 0.000 0.255 139 T C -0.631 174.089 174.700 0.034 0.000 1.008 139 T CA -0.527 61.598 62.100 0.042 0.000 1.053 139 T CB 0.841 69.739 68.868 0.050 0.000 1.120 139 T HN 0.076 nan 8.240 nan 0.000 0.538 140 A N 1.133 123.970 122.820 0.028 0.000 2.398 140 A HA 0.819 5.139 4.320 0.001 0.000 0.301 140 A C 0.198 177.796 177.584 0.024 0.000 1.041 140 A CA -0.686 51.364 52.037 0.022 0.000 0.711 140 A CB 1.528 20.536 19.000 0.013 0.000 1.240 140 A HN 0.294 nan 8.150 nan 0.000 0.420 141 M N 0.910 120.525 119.600 0.024 0.000 2.308 141 M HA 0.326 4.806 4.480 0.001 0.000 0.269 141 M C 1.002 177.280 176.300 -0.036 0.000 1.040 141 M CA 1.160 56.477 55.300 0.029 0.000 1.024 141 M CB -0.060 32.592 32.600 0.087 0.000 1.465 141 M HN 0.777 nan 8.290 nan 0.000 0.517 142 K N -1.427 118.952 120.400 -0.035 0.000 2.418 142 K HA 0.623 4.943 4.320 0.001 0.000 0.208 142 K C 1.274 177.852 176.600 -0.038 0.000 1.261 142 K CA 0.607 56.859 56.287 -0.059 0.000 0.874 142 K CB 0.172 32.642 32.500 -0.050 0.000 1.451 142 K HN 0.076 nan 8.250 nan 0.000 0.466 143 A N 1.452 124.260 122.820 -0.020 0.000 5.093 143 A HA -0.455 3.865 4.320 0.001 0.000 0.329 143 A C 1.624 179.199 177.584 -0.015 0.000 1.836 143 A CA 2.484 54.513 52.037 -0.013 0.000 0.707 143 A CB -1.550 17.444 19.000 -0.012 0.000 1.389 143 A HN 0.461 nan 8.150 nan 0.000 0.383 144 Q N -2.263 117.527 119.800 -0.017 0.000 2.389 144 Q HA 0.486 4.827 4.340 0.001 0.000 0.201 144 Q C 0.359 176.346 176.000 -0.021 0.000 0.956 144 Q CA 1.246 57.040 55.803 -0.016 0.000 0.871 144 Q CB 0.855 29.586 28.738 -0.012 0.000 0.990 144 Q HN 1.457 nan 8.270 nan 0.000 0.554 145 V N 1.178 121.078 119.914 -0.024 0.000 2.763 145 V HA 0.364 4.485 4.120 0.001 0.000 0.257 145 V C -1.810 174.262 176.094 -0.036 0.000 0.906 145 V CA -0.626 61.656 62.300 -0.030 0.000 0.894 145 V CB 0.812 32.622 31.823 -0.022 0.000 1.052 145 V HN 0.376 nan 8.190 nan 0.000 0.491 146 C N 6.800 126.065 119.300 -0.057 0.000 2.498 146 C HA 0.665 5.126 4.460 0.001 0.000 0.316 146 C C -2.151 172.766 174.990 -0.122 0.000 1.209 146 C CA -0.937 58.042 59.018 -0.064 0.000 1.518 146 C CB 2.179 29.889 27.740 -0.051 0.000 2.147 146 C HN 0.746 nan 8.230 nan 0.000 0.483 147 P HA 0.322 nan 4.420 nan 0.000 0.208 147 P C -0.375 176.922 177.300 -0.004 0.000 1.837 147 P CA 0.242 63.288 63.100 -0.091 0.000 0.953 147 P CB -0.558 31.153 31.700 0.019 0.000 1.870 148 H N -1.985 117.095 119.070 0.016 0.000 3.770 148 H HA -0.169 4.388 4.556 0.001 0.000 0.267 148 H C -0.063 175.278 175.328 0.022 0.000 0.747 148 H CA 0.305 56.365 56.048 0.019 0.000 0.948 148 H CB -1.623 28.151 29.762 0.020 0.000 1.026 148 H HN 0.372 nan 8.280 nan 0.000 0.629 149 C N -0.628 118.774 119.300 0.169 0.000 3.285 149 C HA 0.739 5.199 4.460 0.001 0.000 0.320 149 C C 1.450 176.497 174.990 0.094 0.000 1.411 149 C CA -0.027 59.052 59.018 0.102 0.000 1.429 149 C CB 1.557 29.340 27.740 0.071 0.000 1.812 149 C HN 1.045 nan 8.230 nan 0.000 0.454 150 G N -0.019 108.832 108.800 0.085 0.000 2.714 150 G HA2 0.584 4.544 3.960 0.001 0.000 0.197 150 G HA3 0.584 4.544 3.960 0.001 0.000 0.197 150 G C -0.101 174.858 174.900 0.098 0.000 1.449 150 G CA 0.364 45.518 45.100 0.090 0.000 1.065 150 G HN 0.723 nan 8.290 nan 0.000 0.575 151 E N -1.126 119.150 120.200 0.126 0.000 4.003 151 E HA 0.236 4.587 4.350 0.001 0.000 0.198 151 E C -0.560 176.203 176.600 0.271 0.000 1.192 151 E CA -0.074 56.420 56.400 0.156 0.000 0.769 151 E CB 0.039 29.813 29.700 0.124 0.000 2.961 151 E HN 0.385 nan 8.360 nan 0.000 0.546 152 K N 0.641 121.184 120.400 0.239 0.000 2.267 152 K HA 0.610 4.930 4.320 0.001 0.000 0.246 152 K C -0.364 176.293 176.600 0.095 0.000 0.954 152 K CA -0.653 55.766 56.287 0.220 0.000 0.824 152 K CB 2.215 34.788 32.500 0.122 0.000 1.167 152 K HN 0.065 nan 8.250 nan 0.000 0.431 153 Q N 0.960 120.731 119.800 -0.049 0.000 2.451 153 Q HA 0.488 4.828 4.340 0.001 0.000 0.281 153 Q C -1.217 174.785 176.000 0.004 0.000 1.099 153 Q CA -1.104 54.723 55.803 0.040 0.000 0.806 153 Q CB 1.355 30.136 28.738 0.072 0.000 1.419 153 Q HN 0.658 nan 8.270 nan 0.000 0.427 154 F N -0.092 119.815 119.950 -0.073 0.000 2.362 154 F HA 0.611 5.138 4.527 0.001 0.000 0.340 154 F C -0.150 175.616 175.800 -0.056 0.000 1.088 154 F CA -1.021 56.936 58.000 -0.072 0.000 1.096 154 F CB 0.028 39.002 39.000 -0.043 0.000 1.486 154 F HN 0.353 nan 8.300 nan 0.000 0.500 155 K N 1.304 121.390 120.400 -0.524 0.000 2.611 155 K HA 0.078 4.399 4.320 0.001 0.000 0.280 155 K C 0.006 176.065 176.600 -0.901 0.000 0.964 155 K CA 1.018 56.955 56.287 -0.584 0.000 1.029 155 K CB -0.328 32.026 32.500 -0.243 0.000 0.862 155 K HN 0.634 nan 8.250 nan 0.000 0.501 176 T N 0.208 114.904 114.554 0.237 0.000 2.937 176 T HA 0.290 4.641 4.350 0.001 0.000 0.297 176 T C -2.203 172.620 174.700 0.207 0.000 0.991 176 T CA -1.058 61.197 62.100 0.259 0.000 0.990 176 T CB 2.482 71.308 68.868 -0.070 0.000 0.991 176 T HN -0.276 nan 8.240 nan 0.000 0.440 177 P HA -0.209 nan 4.420 nan 0.000 0.216 177 P C 1.819 179.197 177.300 0.131 0.000 1.154 177 P CA 1.286 64.516 63.100 0.215 0.000 0.865 177 P CB 0.061 31.932 31.700 0.286 0.000 0.789 178 S N -1.665 114.093 115.700 0.097 0.000 2.423 178 S HA -0.145 4.325 4.470 0.001 0.000 0.231 178 S C 1.641 176.253 174.600 0.021 0.000 1.014 178 S CA 1.274 59.498 58.200 0.041 0.000 0.965 178 S CB -0.984 62.213 63.200 -0.005 0.000 0.785 178 S HN 0.156 nan 8.310 nan 0.000 0.495 179 D N 1.360 121.773 120.400 0.022 0.000 2.271 179 D HA 0.191 4.831 4.640 0.001 0.000 0.206 179 D C 1.868 178.184 176.300 0.028 0.000 0.967 179 D CA 0.677 54.687 54.000 0.017 0.000 0.867 179 D CB -0.057 40.751 40.800 0.013 0.000 0.960 179 D HN 0.463 nan 8.370 nan 0.000 0.509 180 I N 0.844 121.443 120.570 0.048 0.000 2.353 180 I HA -0.166 4.004 4.170 0.001 0.000 0.248 180 I C 2.617 178.736 176.117 0.003 0.000 1.119 180 I CA 0.667 61.993 61.300 0.042 0.000 1.417 180 I CB -0.148 37.895 38.000 0.072 0.000 1.078 180 I HN -0.157 nan 8.210 nan 0.000 0.421 181 R N 1.364 121.868 120.500 0.006 0.000 2.115 181 R HA -0.143 4.197 4.340 0.001 0.000 0.230 181 R C 2.041 178.320 176.300 -0.035 0.000 1.111 181 R CA 1.249 57.336 56.100 -0.022 0.000 0.976 181 R CB -0.025 30.281 30.300 0.009 0.000 0.870 181 R HN 0.370 nan 8.270 nan 0.000 0.445 182 E N -0.284 119.907 120.200 -0.016 0.000 2.204 182 E HA -0.176 4.174 4.350 0.001 0.000 0.195 182 E C 1.917 178.501 176.600 -0.028 0.000 0.990 182 E CA 0.893 57.281 56.400 -0.019 0.000 0.821 182 E CB 0.123 29.817 29.700 -0.008 0.000 0.750 182 E HN 0.323 nan 8.360 nan 0.000 0.477 183 R N -0.089 120.395 120.500 -0.027 0.000 2.200 183 R HA 0.068 4.408 4.340 0.001 0.000 0.208 183 R C 1.932 178.193 176.300 -0.064 0.000 1.033 183 R CA 0.436 56.519 56.100 -0.028 0.000 1.000 183 R CB 0.194 30.491 30.300 -0.005 0.000 0.906 183 R HN 0.127 nan 8.270 nan 0.000 0.462 184 L N -0.259 120.899 121.223 -0.109 0.000 2.554 184 L HA 0.094 4.435 4.340 0.001 0.000 0.225 184 L C 1.539 178.285 176.870 -0.207 0.000 1.104 184 L CA 0.448 55.166 54.840 -0.204 0.000 0.866 184 L CB 0.192 42.068 42.059 -0.305 0.000 1.047 184 L HN 0.128 nan 8.230 nan 0.000 0.468 185 E N 0.423 120.540 120.200 -0.137 0.000 2.403 185 E HA -0.011 4.339 4.350 0.001 0.000 0.188 185 E C 1.104 177.652 176.600 -0.087 0.000 1.056 185 E CA -0.004 56.323 56.400 -0.121 0.000 0.892 185 E CB 0.379 30.031 29.700 -0.079 0.000 1.049 185 E HN 0.342 nan 8.360 nan 0.000 0.465 186 K N -0.086 120.266 120.400 -0.080 0.000 2.355 186 K HA 0.084 4.404 4.320 0.001 0.000 0.198 186 K C 0.289 176.858 176.600 -0.052 0.000 1.039 186 K CA 0.056 56.311 56.287 -0.053 0.000 1.075 186 K CB 1.340 33.819 32.500 -0.036 0.000 0.870 186 K HN -0.014 nan 8.250 nan 0.000 0.540 187 V N 1.505 121.376 119.914 -0.072 0.000 2.368 187 V HA 0.320 4.440 4.120 0.001 0.000 0.266 187 V C -2.192 173.861 176.094 -0.069 0.000 1.045 187 V CA -2.125 60.145 62.300 -0.051 0.000 0.899 187 V CB 0.365 32.177 31.823 -0.020 0.000 1.006 187 V HN -0.059 nan 8.190 nan 0.000 0.470 188 P HA 0.262 nan 4.420 nan 0.000 0.293 188 P C 0.695 177.964 177.300 -0.050 0.000 1.298 188 P CA -0.204 62.864 63.100 -0.052 0.000 0.757 188 P CB 1.158 32.836 31.700 -0.036 0.000 1.262 189 E N -0.287 119.884 120.200 -0.049 0.000 2.110 189 E HA -0.142 4.208 4.350 0.001 0.000 0.193 189 E C 2.030 178.613 176.600 -0.029 0.000 0.988 189 E CA 1.746 58.119 56.400 -0.044 0.000 0.804 189 E CB -0.333 29.342 29.700 -0.041 0.000 0.745 189 E HN 0.481 nan 8.360 nan 0.000 0.458 190 S N 1.164 116.847 115.700 -0.028 0.000 2.383 190 S HA -0.159 4.311 4.470 0.001 0.000 0.227 190 S C 1.438 176.031 174.600 -0.012 0.000 1.026 190 S CA 1.242 59.425 58.200 -0.027 0.000 0.981 190 S CB -0.145 63.036 63.200 -0.032 0.000 0.818 190 S HN 0.068 nan 8.310 nan 0.000 0.472 191 D N 1.983 122.382 120.400 -0.002 0.000 2.117 191 D HA -0.070 4.571 4.640 0.001 0.000 0.197 191 D C 2.261 178.594 176.300 0.055 0.000 0.987 191 D CA 1.564 55.575 54.000 0.020 0.000 0.829 191 D CB -0.593 40.222 40.800 0.026 0.000 0.961 191 D HN 0.520 nan 8.370 nan 0.000 0.460 192 V N -0.861 119.101 119.914 0.080 0.000 2.427 192 V HA -0.130 3.990 4.120 0.001 0.000 0.248 192 V C 1.894 178.063 176.094 0.124 0.000 1.051 192 V CA 1.361 63.755 62.300 0.157 0.000 1.048 192 V CB -0.741 31.173 31.823 0.152 0.000 0.666 192 V HN 0.064 nan 8.190 nan 0.000 0.456 193 E N 0.757 120.986 120.200 0.050 0.000 2.106 193 E HA -0.083 4.267 4.350 0.001 0.000 0.192 193 E C 2.163 178.757 176.600 -0.010 0.000 0.984 193 E CA 1.718 58.126 56.400 0.013 0.000 0.806 193 E CB -0.265 29.425 29.700 -0.018 0.000 0.750 193 E HN 0.693 nan 8.360 nan 0.000 0.458 194 I N 0.789 121.352 120.570 -0.011 0.000 2.315 194 I HA -0.243 3.927 4.170 0.001 0.000 0.248 194 I C 2.223 178.317 176.117 -0.039 0.000 1.117 194 I CA 0.830 62.114 61.300 -0.026 0.000 1.404 194 I CB -0.195 37.790 38.000 -0.024 0.000 1.071 194 I HN 0.064 nan 8.210 nan 0.000 0.419 195 L N 0.583 121.790 121.223 -0.026 0.000 2.056 195 L HA 0.021 4.361 4.340 0.001 0.000 0.207 195 L C 1.326 178.124 176.870 -0.119 0.000 1.078 195 L CA 1.228 56.036 54.840 -0.054 0.000 0.749 195 L CB -0.485 41.553 42.059 -0.035 0.000 0.901 195 L HN 0.509 nan 8.230 nan 0.000 0.433 196 G N -1.847 106.878 108.800 -0.124 0.000 2.441 196 G HA2 -0.125 3.836 3.960 0.001 0.000 0.139 196 G HA3 -0.125 3.836 3.960 0.001 0.000 0.139 196 G C -0.763 173.817 174.900 -0.534 0.000 1.067 196 G CA -0.865 44.055 45.100 -0.300 0.000 0.766 196 G HN 0.067 nan 8.290 nan 0.000 0.484 197 Y N -0.449 119.830 120.300 -0.035 0.000 2.644 197 Y HA 0.655 5.206 4.550 0.001 0.000 0.338 197 Y C -0.127 175.765 175.900 -0.014 0.000 1.119 197 Y CA -1.138 56.958 58.100 -0.007 0.000 1.060 197 Y CB 1.484 39.974 38.460 0.050 0.000 1.294 197 Y HN 0.111 nan 8.280 nan 0.000 0.472 198 D N 2.141 122.643 120.400 0.170 0.000 2.210 198 D HA 0.242 4.882 4.640 0.001 0.000 0.249 198 D C -2.000 174.313 176.300 0.021 0.000 1.062 198 D CA -1.908 52.134 54.000 0.071 0.000 0.891 198 D CB 2.214 43.053 40.800 0.065 0.000 1.186 198 D HN 0.242 nan 8.370 nan 0.000 0.432 199 P HA 0.094 nan 4.420 nan 0.000 0.252 199 P C 0.771 178.025 177.300 -0.076 0.000 1.218 199 P CA 0.308 63.365 63.100 -0.072 0.000 0.807 199 P CB 0.838 32.508 31.700 -0.049 0.000 1.072 200 T N -1.336 113.218 114.554 0.001 0.000 3.156 200 T HA 0.012 4.362 4.350 0.001 0.000 0.236 200 T C 1.709 176.522 174.700 0.188 0.000 0.978 200 T CA 1.284 63.430 62.100 0.076 0.000 1.240 200 T CB -1.092 67.812 68.868 0.059 0.000 0.951 200 T HN -0.002 nan 8.240 nan 0.000 0.420 201 T N 2.855 117.494 114.554 0.143 0.000 2.915 201 T HA 0.068 4.419 4.350 0.001 0.000 0.269 201 T C 1.007 175.868 174.700 0.268 0.000 1.071 201 T CA 0.793 62.996 62.100 0.172 0.000 1.132 201 T CB -0.180 68.749 68.868 0.101 0.000 0.878 201 T HN 0.525 nan 8.240 nan 0.000 0.479 202 S N 0.352 116.164 115.700 0.186 0.000 2.569 202 S HA 0.787 5.258 4.470 0.001 0.000 0.280 202 S C -1.065 173.391 174.600 -0.240 0.000 1.111 202 S CA -1.187 57.081 58.200 0.114 0.000 0.887 202 S CB 2.828 66.049 63.200 0.036 0.000 1.095 202 S HN 0.207 nan 8.310 nan 0.000 0.476 203 R N 0.841 121.014 120.500 -0.543 0.000 2.668 203 R HA 0.428 4.768 4.340 0.001 0.000 0.272 203 R C -2.344 173.478 176.300 -0.795 0.000 1.019 203 R CA -2.142 53.393 56.100 -0.943 0.000 0.894 203 R CB 2.220 31.378 30.300 -1.905 0.000 1.228 203 R HN 0.425 nan 8.270 nan 0.000 0.460 204 P HA -0.163 nan 4.420 nan 0.000 0.218 204 P C 0.214 177.141 177.300 -0.622 0.000 1.148 204 P CA 1.467 64.005 63.100 -0.936 0.000 0.822 204 P CB 0.456 31.277 31.700 -1.465 0.000 0.784 205 E N -1.026 118.828 120.200 -0.577 0.000 2.204 205 E HA -0.140 4.210 4.350 0.001 0.000 0.194 205 E C 1.679 178.237 176.600 -0.070 0.000 0.989 205 E CA 0.973 57.186 56.400 -0.312 0.000 0.824 205 E CB -0.696 28.838 29.700 -0.275 0.000 0.756 205 E HN 0.395 nan 8.360 nan 0.000 0.477 206 W N -0.212 120.962 121.300 -0.210 0.000 2.905 206 W HA 0.237 4.897 4.660 0.001 0.000 0.251 206 W C 1.578 177.977 176.519 -0.199 0.000 1.305 206 W CA 0.012 57.252 57.345 -0.174 0.000 1.465 206 W CB -0.696 28.658 29.460 -0.176 0.000 1.122 206 W HN 0.161 nan 8.180 nan 0.000 0.659 207 M N -0.095 119.432 119.600 -0.122 0.000 2.099 207 M HA -0.095 4.385 4.480 0.001 0.000 0.262 207 M C 0.738 177.100 176.300 0.104 0.000 1.067 207 M CA 1.403 56.603 55.300 -0.168 0.000 1.124 207 M CB -0.507 31.926 32.600 -0.278 0.000 1.353 207 M HN -0.352 nan 8.290 nan 0.000 0.410 208 I N 1.719 122.337 120.570 0.079 0.000 2.452 208 I HA 0.051 4.221 4.170 0.001 0.000 0.287 208 I C -0.483 175.730 176.117 0.159 0.000 1.079 208 I CA -0.183 61.199 61.300 0.137 0.000 1.387 208 I CB 0.354 38.407 38.000 0.089 0.000 1.404 208 I HN 0.128 nan 8.210 nan 0.000 0.522 209 L N 6.525 127.871 121.223 0.205 0.000 2.334 209 L HA 0.380 4.720 4.340 0.001 0.000 0.277 209 L C 0.845 177.805 176.870 0.150 0.000 1.075 209 L CA -0.124 54.834 54.840 0.198 0.000 0.804 209 L CB 1.314 43.541 42.059 0.281 0.000 1.174 209 L HN 0.639 nan 8.230 nan 0.000 0.438 210 T N 0.151 114.772 114.554 0.112 0.000 2.989 210 T HA 0.178 4.528 4.350 0.001 0.000 0.250 210 T C 0.199 174.939 174.700 0.065 0.000 0.981 210 T CA 0.106 62.255 62.100 0.082 0.000 0.980 210 T CB 0.708 69.611 68.868 0.058 0.000 1.133 210 T HN 0.231 nan 8.240 nan 0.000 0.489 211 V N 2.489 122.435 119.914 0.052 0.000 2.483 211 V HA 0.561 4.682 4.120 0.001 0.000 0.297 211 V C -1.041 175.103 176.094 0.085 0.000 1.027 211 V CA -1.024 61.299 62.300 0.039 0.000 0.855 211 V CB 2.204 34.002 31.823 -0.041 0.000 0.995 211 V HN 0.330 nan 8.190 nan 0.000 0.424 212 L N 8.086 129.387 121.223 0.130 0.000 2.287 212 L HA 0.675 5.015 4.340 0.001 0.000 0.287 212 L C -2.404 174.611 176.870 0.241 0.000 1.022 212 L CA -1.713 53.249 54.840 0.204 0.000 0.814 212 L CB 2.369 44.538 42.059 0.183 0.000 1.217 212 L HN 0.424 nan 8.230 nan 0.000 0.420 213 P HA 0.121 nan 4.420 nan 0.000 0.287 213 P C -0.645 176.926 177.300 0.451 0.000 1.294 213 P CA -0.185 63.217 63.100 0.502 0.000 0.776 213 P CB 1.336 33.289 31.700 0.422 0.000 0.889 214 V N 7.111 127.203 119.914 0.297 0.000 2.479 214 V HA 0.105 4.226 4.120 0.001 0.000 0.281 214 V C -1.533 174.609 176.094 0.080 0.000 1.031 214 V CA -1.241 61.138 62.300 0.133 0.000 1.038 214 V CB 0.079 31.904 31.823 0.004 0.000 0.981 214 V HN 0.560 nan 8.190 nan 0.000 0.478 215 P HA 0.185 nan 4.420 nan 0.000 0.269 215 P C -2.671 174.377 177.300 -0.420 0.000 1.209 215 P CA -1.528 61.392 63.100 -0.300 0.000 0.776 215 P CB -0.105 31.585 31.700 -0.018 0.000 0.876 216 P HA 0.090 nan 4.420 nan 0.000 0.266 216 P C 1.321 178.502 177.300 -0.198 0.000 1.193 216 P CA 0.201 63.067 63.100 -0.391 0.000 0.770 216 P CB 0.243 31.690 31.700 -0.422 0.000 0.836 217 I N 1.946 122.447 120.570 -0.115 0.000 2.423 217 I HA -0.253 3.918 4.170 0.001 0.000 0.254 217 I C 1.243 177.325 176.117 -0.058 0.000 1.151 217 I CA 1.648 62.908 61.300 -0.067 0.000 1.421 217 I CB -0.059 37.919 38.000 -0.038 0.000 1.079 217 I HN 0.345 nan 8.210 nan 0.000 0.431 218 T N 0.974 115.485 114.554 -0.070 0.000 2.915 218 T HA -0.050 4.300 4.350 0.001 0.000 0.269 218 T C 1.689 176.355 174.700 -0.056 0.000 1.071 218 T CA 1.159 63.225 62.100 -0.057 0.000 1.132 218 T CB -0.188 68.641 68.868 -0.066 0.000 0.878 218 T HN 0.379 nan 8.240 nan 0.000 0.479 219 I N 0.455 120.981 120.570 -0.073 0.000 3.059 219 I HA 0.077 4.247 4.170 0.001 0.000 0.270 219 I C 0.058 176.158 176.117 -0.028 0.000 1.238 219 I CA 0.377 61.645 61.300 -0.052 0.000 1.478 219 I CB 0.053 38.015 38.000 -0.063 0.000 1.097 219 I HN 0.089 nan 8.210 nan 0.000 0.455 220 R N 0.830 121.315 120.500 -0.026 0.000 2.576 220 R HA 0.401 4.741 4.340 0.001 0.000 0.283 220 R C -2.833 173.461 176.300 -0.010 0.000 1.493 220 R CA -1.452 54.645 56.100 -0.007 0.000 1.170 220 R CB -0.001 30.307 30.300 0.014 0.000 1.189 220 R HN -0.101 nan 8.270 nan 0.000 0.542 221 P HA 0.401 nan 4.420 nan 0.000 0.301 221 P C -0.526 176.772 177.300 -0.004 0.000 1.309 221 P CA -0.723 62.371 63.100 -0.010 0.000 0.782 221 P CB 0.937 32.630 31.700 -0.011 0.000 1.282 222 S N -1.293 114.405 115.700 -0.004 0.000 2.616 222 S HA 0.696 5.166 4.470 0.001 0.000 0.277 222 S C 0.377 174.976 174.600 -0.002 0.000 1.234 222 S CA -0.320 57.879 58.200 -0.002 0.000 1.028 222 S CB 0.373 63.571 63.200 -0.002 0.000 0.988 222 S HN 0.554 nan 8.310 nan 0.000 0.522 223 I N 0.446 121.016 120.570 -0.000 0.000 2.569 223 I HA 0.921 5.092 4.170 0.001 0.000 0.296 223 I C 0.253 176.370 176.117 -0.001 0.000 1.028 223 I CA -1.356 59.944 61.300 -0.001 0.000 1.082 223 I CB 0.398 38.398 38.000 -0.001 0.000 1.264 223 I HN 0.955 nan 8.210 nan 0.000 0.429 232 E N 1.526 121.729 120.200 0.006 0.000 2.287 232 E HA 0.628 4.978 4.350 0.001 0.000 0.274 232 E C -1.437 175.168 176.600 0.009 0.000 0.896 232 E CA -0.116 56.289 56.400 0.009 0.000 0.788 232 E CB 1.448 31.151 29.700 0.004 0.000 1.244 232 E HN 0.604 nan 8.360 nan 0.000 0.408 233 D N 1.774 122.184 120.400 0.018 0.000 2.493 233 D HA 0.385 5.025 4.640 0.001 0.000 0.239 233 D C -0.173 176.143 176.300 0.026 0.000 1.049 233 D CA -0.563 53.450 54.000 0.021 0.000 1.008 233 D CB 1.595 42.409 40.800 0.024 0.000 1.398 233 D HN 0.355 nan 8.370 nan 0.000 0.513 234 D N -0.339 120.079 120.400 0.030 0.000 2.434 234 D HA 0.061 4.702 4.640 0.001 0.000 0.288 234 D C 1.386 177.722 176.300 0.060 0.000 1.083 234 D CA 0.004 54.021 54.000 0.028 0.000 0.903 234 D CB 0.741 41.548 40.800 0.013 0.000 1.476 234 D HN 0.261 nan 8.370 nan 0.000 0.502 235 L N 0.894 122.158 121.223 0.068 0.000 2.307 235 L HA 0.038 4.378 4.340 0.001 0.000 0.211 235 L C 2.043 178.983 176.870 0.117 0.000 1.099 235 L CA 0.998 55.905 54.840 0.111 0.000 0.816 235 L CB -0.023 42.102 42.059 0.110 0.000 0.952 235 L HN -0.084 nan 8.230 nan 0.000 0.455 236 T N -1.659 112.936 114.554 0.069 0.000 2.788 236 T HA -0.240 4.110 4.350 0.001 0.000 0.268 236 T C 1.794 176.498 174.700 0.007 0.000 1.044 236 T CA 1.427 63.542 62.100 0.025 0.000 1.139 236 T CB -0.435 68.438 68.868 0.009 0.000 0.867 236 T HN 0.448 nan 8.240 nan 0.000 0.454 237 H N 2.498 121.536 119.070 -0.053 0.000 2.321 237 H HA -0.083 4.473 4.556 0.001 0.000 0.300 237 H C 2.166 177.415 175.328 -0.131 0.000 1.087 237 H CA 1.904 57.889 56.048 -0.106 0.000 1.319 237 H CB 0.039 29.721 29.762 -0.134 0.000 1.379 237 H HN 0.472 nan 8.280 nan 0.000 0.501 238 K N 0.189 120.647 120.400 0.096 0.000 2.365 238 K HA -0.037 4.284 4.320 0.001 0.000 0.199 238 K C 2.375 178.975 176.600 0.000 0.000 1.045 238 K CA 0.992 57.337 56.287 0.096 0.000 0.962 238 K CB -0.125 32.491 32.500 0.194 0.000 0.759 238 K HN 0.212 nan 8.250 nan 0.000 0.469 239 L N 0.804 121.984 121.223 -0.071 0.000 2.131 239 L HA -0.052 4.288 4.340 0.001 0.000 0.206 239 L C 2.037 178.775 176.870 -0.219 0.000 1.087 239 L CA 0.492 55.187 54.840 -0.242 0.000 0.767 239 L CB 0.129 42.062 42.059 -0.209 0.000 0.917 239 L HN 0.011 nan 8.230 nan 0.000 0.441 240 V N -0.286 119.509 119.914 -0.199 0.000 2.427 240 V HA -0.243 3.877 4.120 0.001 0.000 0.248 240 V C 1.581 177.522 176.094 -0.254 0.000 1.051 240 V CA 1.663 63.832 62.300 -0.219 0.000 1.048 240 V CB -0.604 31.072 31.823 -0.245 0.000 0.666 240 V HN 0.444 nan 8.190 nan 0.000 0.456 241 D N -0.216 120.009 120.400 -0.291 0.000 2.403 241 D HA -0.031 4.610 4.640 0.001 0.000 0.227 241 D C 1.674 177.679 176.300 -0.492 0.000 0.995 241 D CA 0.895 54.664 54.000 -0.385 0.000 0.928 241 D CB -0.024 40.618 40.800 -0.263 0.000 0.887 241 D HN 0.459 nan 8.370 nan 0.000 0.529 242 I N -0.778 119.626 120.570 -0.278 0.000 2.810 242 I HA -0.101 4.069 4.170 0.001 0.000 0.262 242 I C 2.048 178.076 176.117 -0.148 0.000 1.131 242 I CA 0.223 61.408 61.300 -0.191 0.000 1.453 242 I CB 0.146 38.035 38.000 -0.184 0.000 1.161 242 I HN -0.157 nan 8.210 nan 0.000 0.444 243 V N 1.257 121.080 119.914 -0.151 0.000 2.515 243 V HA -0.223 3.897 4.120 0.001 0.000 0.250 243 V C 2.575 178.611 176.094 -0.097 0.000 1.058 243 V CA 1.658 63.894 62.300 -0.107 0.000 1.064 243 V CB -0.952 30.809 31.823 -0.104 0.000 0.675 243 V HN 0.406 nan 8.190 nan 0.000 0.461 244 R N 0.360 120.781 120.500 -0.131 0.000 2.073 244 R HA -0.149 4.192 4.340 0.001 0.000 0.234 244 R C 2.236 178.489 176.300 -0.079 0.000 1.134 244 R CA 1.866 57.900 56.100 -0.110 0.000 0.952 244 R CB -0.146 30.067 30.300 -0.145 0.000 0.850 244 R HN 0.397 nan 8.270 nan 0.000 0.433 245 I N 0.949 121.464 120.570 -0.092 0.000 2.439 245 I HA -0.168 4.002 4.170 0.001 0.000 0.251 245 I C 1.479 177.596 176.117 0.001 0.000 1.139 245 I CA 1.059 62.343 61.300 -0.026 0.000 1.438 245 I CB -1.422 36.583 38.000 0.007 0.000 1.085 245 I HN 0.170 nan 8.210 nan 0.000 0.427 246 N N 0.720 119.410 118.700 -0.017 0.000 2.485 246 N HA -0.134 4.607 4.740 0.001 0.000 0.199 246 N C 1.379 176.886 175.510 -0.005 0.000 1.236 246 N CA 0.348 53.397 53.050 -0.000 0.000 0.852 246 N CB 0.111 38.592 38.487 -0.009 0.000 1.018 246 N HN 0.313 nan 8.380 nan 0.000 0.457 247 E N -0.752 119.441 120.200 -0.011 0.000 2.354 247 E HA 0.229 4.580 4.350 0.001 0.000 0.203 247 E C 1.565 178.165 176.600 0.000 0.000 0.841 247 E CA 0.279 56.673 56.400 -0.010 0.000 1.046 247 E CB 0.180 29.867 29.700 -0.022 0.000 1.040 247 E HN 0.109 nan 8.360 nan 0.000 0.504 248 R N 0.282 120.784 120.500 0.003 0.000 2.092 248 R HA 0.013 4.354 4.340 0.001 0.000 0.231 248 R C 2.233 178.548 176.300 0.025 0.000 1.119 248 R CA 1.219 57.327 56.100 0.013 0.000 0.970 248 R CB -0.199 30.111 30.300 0.016 0.000 0.864 248 R HN 0.236 nan 8.270 nan 0.000 0.440 249 L N 0.519 121.763 121.223 0.034 0.000 2.109 249 L HA -0.118 4.222 4.340 0.001 0.000 0.207 249 L C 2.286 179.174 176.870 0.029 0.000 1.086 249 L CA 1.201 56.067 54.840 0.044 0.000 0.760 249 L CB -0.180 41.919 42.059 0.066 0.000 0.910 249 L HN 0.122 nan 8.230 nan 0.000 0.437 250 K N -0.123 120.289 120.400 0.021 0.000 2.097 250 K HA -0.213 4.107 4.320 0.001 0.000 0.205 250 K C 1.903 178.509 176.600 0.010 0.000 1.050 250 K CA 1.235 57.530 56.287 0.014 0.000 0.938 250 K CB 0.048 32.553 32.500 0.010 0.000 0.718 250 K HN 0.252 nan 8.250 nan 0.000 0.442 251 E N 0.561 120.766 120.200 0.009 0.000 2.285 251 E HA -0.066 4.285 4.350 0.001 0.000 0.194 251 E C 0.616 177.221 176.600 0.009 0.000 0.997 251 E CA 0.581 56.985 56.400 0.007 0.000 0.845 251 E CB 0.321 30.023 29.700 0.005 0.000 0.782 251 E HN 0.149 nan 8.360 nan 0.000 0.491 252 S N -0.477 115.231 115.700 0.013 0.000 2.582 252 S HA 0.216 4.687 4.470 0.001 0.000 0.249 252 S C 0.968 175.574 174.600 0.010 0.000 1.072 252 S CA -0.399 57.809 58.200 0.013 0.000 1.115 252 S CB -0.215 62.997 63.200 0.020 0.000 0.790 252 S HN 0.194 nan 8.310 nan 0.000 0.459 253 I N 0.124 120.698 120.570 0.007 0.000 3.136 253 I HA 0.188 4.358 4.170 0.001 0.000 0.262 253 I C 1.011 177.128 176.117 0.001 0.000 1.132 253 I CA 0.252 61.554 61.300 0.003 0.000 1.450 253 I CB 0.054 38.056 38.000 0.003 0.000 1.315 253 I HN 0.205 nan 8.210 nan 0.000 0.460 254 D N 1.299 121.700 120.400 0.002 0.000 2.339 254 D HA 0.191 4.832 4.640 0.001 0.000 0.217 254 D C 0.476 176.777 176.300 0.001 0.000 1.050 254 D CA 0.273 54.274 54.000 0.001 0.000 0.856 254 D CB 0.443 41.244 40.800 0.001 0.000 0.922 254 D HN 0.181 nan 8.370 nan 0.000 0.518 255 A N -0.049 122.772 122.820 0.003 0.000 2.938 255 A HA 0.644 4.965 4.320 0.001 0.000 0.344 255 A C 1.423 179.010 177.584 0.004 0.000 1.142 255 A CA -0.076 51.962 52.037 0.003 0.000 0.841 255 A CB -0.158 18.844 19.000 0.004 0.000 1.083 255 A HN 0.138 nan 8.150 nan 0.000 0.479 256 G N 1.643 110.444 108.800 0.003 0.000 3.773 256 G HA2 0.036 3.996 3.960 0.001 0.000 0.355 256 G HA3 0.036 3.996 3.960 0.001 0.000 0.355 256 G C 1.087 175.989 174.900 0.003 0.000 1.323 256 G CA 1.967 47.068 45.100 0.003 0.000 1.103 256 G HN 2.744 nan 8.290 nan 0.000 0.716 257 A N -0.764 122.060 122.820 0.007 0.000 1.677 257 A HA 0.256 4.576 4.320 0.001 0.000 0.219 257 A C -0.940 176.649 177.584 0.010 0.000 1.295 257 A CA 1.195 53.238 52.037 0.010 0.000 0.647 257 A CB -1.726 17.280 19.000 0.011 0.000 1.201 257 A HN 1.322 nan 8.150 nan 0.000 0.214 258 P HA 0.260 nan 4.420 nan 0.000 0.272 258 P C 1.187 178.499 177.300 0.019 0.000 1.254 258 P CA -0.426 62.682 63.100 0.014 0.000 0.795 258 P CB 0.447 32.157 31.700 0.017 0.000 1.022 259 Q N -0.337 119.475 119.800 0.020 0.000 2.049 259 Q HA -0.036 4.305 4.340 0.001 0.000 0.198 259 Q C 1.993 178.023 176.000 0.050 0.000 0.971 259 Q CA 1.549 57.367 55.803 0.025 0.000 0.833 259 Q CB -0.698 28.052 28.738 0.021 0.000 0.896 259 Q HN 0.415 nan 8.270 nan 0.000 0.434 260 L N 0.112 121.366 121.223 0.051 0.000 2.201 260 L HA -0.141 4.200 4.340 0.001 0.000 0.212 260 L C 2.281 179.193 176.870 0.070 0.000 1.105 260 L CA 0.669 55.547 54.840 0.064 0.000 0.775 260 L CB -0.276 41.812 42.059 0.048 0.000 0.913 260 L HN 0.161 nan 8.230 nan 0.000 0.440 261 I N -0.585 120.019 120.570 0.056 0.000 2.233 261 I HA -0.283 3.887 4.170 0.001 0.000 0.243 261 I C 2.381 178.543 176.117 0.075 0.000 1.093 261 I CA 1.366 62.699 61.300 0.055 0.000 1.380 261 I CB -0.072 37.951 38.000 0.038 0.000 1.067 261 I HN 0.150 nan 8.210 nan 0.000 0.413 262 I N 0.592 121.205 120.570 0.072 0.000 2.614 262 I HA -0.237 3.934 4.170 0.001 0.000 0.258 262 I C 2.164 178.379 176.117 0.163 0.000 1.189 262 I CA 1.468 62.819 61.300 0.086 0.000 1.462 262 I CB 0.029 38.052 38.000 0.039 0.000 1.092 262 I HN 0.243 nan 8.210 nan 0.000 0.442 263 E N 0.079 120.395 120.200 0.193 0.000 2.190 263 E HA -0.156 4.195 4.350 0.001 0.000 0.191 263 E C 1.311 178.107 176.600 0.328 0.000 0.978 263 E CA 0.758 57.383 56.400 0.375 0.000 0.839 263 E CB 0.129 30.030 29.700 0.335 0.000 0.787 263 E HN 0.435 nan 8.360 nan 0.000 0.473 264 D N 0.466 120.974 120.400 0.181 0.000 2.269 264 D HA -0.069 4.571 4.640 0.001 0.000 0.208 264 D C 1.698 178.056 176.300 0.097 0.000 0.963 264 D CA 0.692 54.756 54.000 0.106 0.000 0.864 264 D CB 0.149 40.988 40.800 0.066 0.000 0.936 264 D HN 0.144 nan 8.370 nan 0.000 0.505 265 L N -1.110 120.196 121.223 0.138 0.000 2.209 265 L HA 0.038 4.378 4.340 0.001 0.000 0.207 265 L C 2.063 179.049 176.870 0.194 0.000 1.094 265 L CA 0.208 55.129 54.840 0.135 0.000 0.790 265 L CB -0.211 41.919 42.059 0.118 0.000 0.932 265 L HN 0.148 nan 8.230 nan 0.000 0.447 266 W N 1.537 122.867 121.300 0.050 0.000 2.402 266 W HA -0.137 4.524 4.660 0.001 0.000 0.286 266 W C 1.554 178.113 176.519 0.067 0.000 1.221 266 W CA 0.927 58.305 57.345 0.056 0.000 1.257 266 W CB -0.027 29.461 29.460 0.048 0.000 1.120 266 W HN 0.055 nan 8.180 nan 0.000 0.551 267 D N 0.295 120.595 120.400 -0.167 0.000 2.340 267 D HA 0.020 4.660 4.640 0.001 0.000 0.220 267 D C 1.921 178.164 176.300 -0.094 0.000 1.039 267 D CA 0.643 54.465 54.000 -0.297 0.000 0.866 267 D CB 0.020 40.687 40.800 -0.221 0.000 0.913 267 D HN 0.303 nan 8.370 nan 0.000 0.523 268 L N -0.412 120.816 121.223 0.008 0.000 2.357 268 L HA 0.137 4.478 4.340 0.001 0.000 0.211 268 L C 2.190 179.191 176.870 0.218 0.000 1.075 268 L CA 0.166 55.074 54.840 0.113 0.000 0.830 268 L CB 0.377 42.523 42.059 0.144 0.000 0.996 268 L HN -0.029 nan 8.230 nan 0.000 0.467 269 L N -0.678 120.628 121.223 0.139 0.000 2.156 269 L HA -0.141 4.200 4.340 0.001 0.000 0.208 269 L C 2.087 178.999 176.870 0.070 0.000 1.095 269 L CA 1.013 55.932 54.840 0.132 0.000 0.770 269 L CB -0.144 41.995 42.059 0.132 0.000 0.914 269 L HN 0.328 nan 8.230 nan 0.000 0.439 270 Q N -1.580 118.203 119.800 -0.028 0.000 2.515 270 Q HA -0.173 4.167 4.340 0.001 0.000 0.212 270 Q C 1.256 177.235 176.000 -0.037 0.000 0.970 270 Q CA 0.842 56.593 55.803 -0.087 0.000 0.941 270 Q CB 0.268 28.838 28.738 -0.281 0.000 0.998 270 Q HN 0.519 nan 8.270 nan 0.000 0.518 271 Y N -1.507 118.720 120.300 -0.121 0.000 2.472 271 Y HA 0.002 4.553 4.550 0.001 0.000 0.288 271 Y C 2.135 177.934 175.900 -0.168 0.000 1.154 271 Y CA 0.710 58.708 58.100 -0.170 0.000 1.238 271 Y CB 0.279 38.594 38.460 -0.241 0.000 1.287 271 Y HN 0.096 nan 8.280 nan 0.000 0.524 272 H N -0.799 118.370 119.070 0.165 0.000 2.333 272 H HA -0.082 4.475 4.556 0.001 0.000 0.302 272 H C 2.381 177.668 175.328 -0.068 0.000 1.075 272 H CA 1.892 57.990 56.048 0.083 0.000 1.348 272 H CB -0.291 29.545 29.762 0.123 0.000 1.393 272 H HN 0.269 nan 8.280 nan 0.000 0.509 273 V N 1.266 121.192 119.914 0.021 0.000 2.287 273 V HA -0.241 3.879 4.120 0.001 0.000 0.248 273 V C 2.739 178.643 176.094 -0.316 0.000 1.053 273 V CA 1.732 63.929 62.300 -0.170 0.000 1.027 273 V CB -0.950 30.835 31.823 -0.063 0.000 0.646 273 V HN 0.449 nan 8.190 nan 0.000 0.447 274 A N -1.092 121.646 122.820 -0.137 0.000 2.119 274 A HA -0.128 4.192 4.320 0.001 0.000 0.217 274 A C 2.306 179.798 177.584 -0.153 0.000 1.153 274 A CA 1.929 53.914 52.037 -0.086 0.000 0.692 274 A CB -0.558 18.399 19.000 -0.072 0.000 0.799 274 A HN 0.512 nan 8.150 nan 0.000 0.458 275 T N -1.898 112.521 114.554 -0.225 0.000 2.894 275 T HA -0.047 4.303 4.350 0.001 0.000 0.258 275 T C 1.741 176.385 174.700 -0.092 0.000 1.043 275 T CA 1.247 63.217 62.100 -0.218 0.000 1.141 275 T CB -0.374 68.296 68.868 -0.331 0.000 0.873 275 T HN 0.607 nan 8.240 nan 0.000 0.449 276 Y N 1.466 121.628 120.300 -0.231 0.000 2.207 276 Y HA -0.176 4.374 4.550 0.001 0.000 0.287 276 Y C 1.491 177.290 175.900 -0.168 0.000 1.156 276 Y CA 1.116 59.078 58.100 -0.230 0.000 1.182 276 Y CB -0.506 37.746 38.460 -0.347 0.000 0.979 276 Y HN 0.131 nan 8.280 nan 0.000 0.521 277 F N 0.178 119.995 119.950 -0.221 0.000 2.049 277 F HA 0.043 4.571 4.527 0.001 0.000 0.288 277 F C 1.014 176.688 175.800 -0.209 0.000 1.141 277 F CA 1.190 59.011 58.000 -0.298 0.000 1.165 277 F CB -0.879 37.968 39.000 -0.255 0.000 1.012 277 F HN -0.088 nan 8.300 nan 0.000 0.475 278 D N -0.721 119.714 120.400 0.058 0.000 2.498 278 D HA 0.191 4.832 4.640 0.001 0.000 0.247 278 D C -1.148 175.127 176.300 -0.042 0.000 1.070 278 D CA -0.358 53.640 54.000 -0.003 0.000 0.842 278 D CB 1.007 41.806 40.800 -0.002 0.000 1.361 278 D HN 0.183 nan 8.370 nan 0.000 0.484 279 N N 3.378 122.054 118.700 -0.040 0.000 2.687 279 N HA 0.121 4.861 4.740 0.001 0.000 0.275 279 N C -0.162 175.329 175.510 -0.031 0.000 1.789 279 N CA 0.102 53.122 53.050 -0.051 0.000 0.806 279 N CB 0.664 39.126 38.487 -0.042 0.000 1.256 279 N HN 0.569 nan 8.380 nan 0.000 0.500 280 E N 0.354 120.536 120.200 -0.030 0.000 1.964 280 E HA 0.059 4.409 4.350 0.001 0.000 0.242 280 E C 0.629 177.219 176.600 -0.017 0.000 1.079 280 E CA 0.048 56.438 56.400 -0.018 0.000 1.600 280 E CB -0.178 29.518 29.700 -0.007 0.000 3.831 280 E HN 0.303 nan 8.360 nan 0.000 0.963 281 I N 2.344 122.903 120.570 -0.017 0.000 2.617 281 I HA 0.084 4.255 4.170 0.001 0.000 0.256 281 I C -1.203 174.903 176.117 -0.018 0.000 1.167 281 I CA -0.119 61.172 61.300 -0.014 0.000 1.469 281 I CB -1.161 36.832 38.000 -0.011 0.000 1.098 281 I HN 0.091 nan 8.210 nan 0.000 0.436 282 P HA 0.011 nan 4.420 nan 0.000 0.273 282 P C 0.684 177.970 177.300 -0.022 0.000 1.258 282 P CA -0.000 63.078 63.100 -0.035 0.000 0.802 282 P CB 0.232 31.892 31.700 -0.066 0.000 1.040 283 G N 0.346 109.138 108.800 -0.014 0.000 3.180 283 G HA2 0.117 4.077 3.960 0.001 0.000 0.252 283 G HA3 0.117 4.077 3.960 0.001 0.000 0.252 283 G C 0.283 175.189 174.900 0.009 0.000 0.871 283 G CA -0.237 44.866 45.100 0.006 0.000 1.979 283 G HN 0.643 nan 8.290 nan 0.000 0.624 284 L N -0.796 120.426 121.223 -0.002 0.000 3.943 284 L HA -0.186 4.155 4.340 0.001 0.000 0.529 284 L C -0.742 176.138 176.870 0.017 0.000 1.173 284 L CA -0.516 54.326 54.840 0.003 0.000 0.737 284 L CB 0.075 42.139 42.059 0.007 0.000 1.321 284 L HN 0.366 nan 8.230 nan 0.000 0.794 285 P HA -0.101 nan 4.420 nan 0.000 0.214 285 P C -1.139 176.216 177.300 0.091 0.000 1.163 285 P CA 1.237 64.380 63.100 0.072 0.000 0.883 285 P CB -0.376 31.304 31.700 -0.033 0.000 0.788 286 P HA 0.228 nan 4.420 nan 0.000 0.274 286 P C -0.790 176.514 177.300 0.007 0.000 1.352 286 P CA -0.017 63.087 63.100 0.007 0.000 0.947 286 P CB 0.274 31.977 31.700 0.005 0.000 1.437 287 S N 0.130 115.868 115.700 0.064 0.000 3.024 287 S HA -0.105 4.366 4.470 0.001 0.000 0.819 287 S C -0.713 173.905 174.600 0.030 0.000 0.863 287 S CA 0.154 58.402 58.200 0.079 0.000 1.423 287 S CB -1.238 62.006 63.200 0.073 0.000 1.032 287 S HN 0.343 nan 8.310 nan 0.000 0.510 288 K N 2.996 123.353 120.400 -0.072 0.000 2.468 288 K HA 0.575 4.895 4.320 0.001 0.000 0.252 288 K C -1.215 175.235 176.600 -0.251 0.000 0.932 288 K CA -0.820 55.423 56.287 -0.073 0.000 0.794 288 K CB 1.622 34.095 32.500 -0.045 0.000 1.241 288 K HN 0.671 nan 8.250 nan 0.000 0.428 289 H N 1.117 120.192 119.070 0.008 0.000 2.667 289 H HA 0.374 4.931 4.556 0.001 0.000 0.353 289 H C -0.026 175.272 175.328 -0.049 0.000 1.072 289 H CA -0.525 55.512 56.048 -0.018 0.000 1.214 289 H CB 1.718 31.425 29.762 -0.092 0.000 1.600 289 H HN 0.586 nan 8.280 nan 0.000 0.527 290 R N -0.136 120.413 120.500 0.081 0.000 2.632 290 R HA -0.318 4.023 4.340 0.001 0.000 0.149 290 R C 1.885 178.195 176.300 0.017 0.000 0.895 290 R CA 2.672 58.796 56.100 0.039 0.000 1.623 290 R CB -1.865 28.445 30.300 0.017 0.000 0.572 290 R HN 0.683 nan 8.270 nan 0.000 0.671 291 S N 0.020 115.725 115.700 0.009 0.000 2.522 291 S HA 0.224 4.694 4.470 0.001 0.000 0.227 291 S C 1.527 176.129 174.600 0.003 0.000 0.986 291 S CA 1.496 59.699 58.200 0.004 0.000 0.929 291 S CB 0.710 63.910 63.200 0.000 0.000 0.769 291 S HN 1.420 nan 8.310 nan 0.000 0.529 292 G N 1.255 110.057 108.800 0.004 0.000 2.194 292 G HA2 -0.288 3.672 3.960 0.001 0.000 0.236 292 G HA3 -0.288 3.672 3.960 0.001 0.000 0.236 292 G C 0.150 175.051 174.900 0.003 0.000 0.987 292 G CA 0.009 45.108 45.100 -0.001 0.000 0.635 292 G HN 0.688 nan 8.290 nan 0.000 0.520 293 R N 1.578 122.082 120.500 0.007 0.000 2.401 293 R HA 0.412 4.753 4.340 0.001 0.000 0.299 293 R C -2.080 174.230 176.300 0.016 0.000 1.064 293 R CA -1.279 54.826 56.100 0.008 0.000 1.000 293 R CB 0.263 30.567 30.300 0.006 0.000 0.973 293 R HN 0.069 nan 8.270 nan 0.000 0.438 294 P HA -0.117 nan 4.420 nan 0.000 0.261 294 P C -0.400 176.918 177.300 0.029 0.000 1.173 294 P CA 0.103 63.215 63.100 0.021 0.000 0.760 294 P CB 0.374 32.081 31.700 0.012 0.000 0.783 295 L N 4.003 125.256 121.223 0.049 0.000 2.464 295 L HA 0.131 4.472 4.340 0.001 0.000 0.264 295 L C 0.915 177.804 176.870 0.030 0.000 1.199 295 L CA 0.310 55.182 54.840 0.054 0.000 0.818 295 L CB 0.102 42.223 42.059 0.102 0.000 1.102 295 L HN 0.425 nan 8.230 nan 0.000 0.473 296 R N 0.407 120.922 120.500 0.024 0.000 2.295 296 R HA 0.483 4.824 4.340 0.001 0.000 0.324 296 R C -0.050 176.254 176.300 0.007 0.000 0.968 296 R CA -0.573 55.534 56.100 0.013 0.000 0.837 296 R CB 1.118 31.424 30.300 0.010 0.000 1.133 296 R HN 0.688 nan 8.270 nan 0.000 0.450 297 T N -1.403 113.145 114.554 -0.010 0.000 2.927 297 T HA 0.376 4.726 4.350 0.001 0.000 0.286 297 T C 1.276 175.941 174.700 -0.059 0.000 1.040 297 T CA -1.063 61.009 62.100 -0.046 0.000 1.010 297 T CB 0.888 69.717 68.868 -0.065 0.000 1.177 297 T HN 0.364 nan 8.240 nan 0.000 0.546 298 L N 0.425 121.576 121.223 -0.120 0.000 2.043 298 L HA -0.121 4.220 4.340 0.001 0.000 0.212 298 L C 3.064 179.920 176.870 -0.023 0.000 1.075 298 L CA 1.970 56.762 54.840 -0.079 0.000 0.752 298 L CB -0.836 41.150 42.059 -0.121 0.000 0.891 298 L HN 0.944 nan 8.230 nan 0.000 0.432 299 A N -1.263 121.547 122.820 -0.015 0.000 2.119 299 A HA -0.163 4.157 4.320 0.001 0.000 0.217 299 A C 2.129 179.725 177.584 0.020 0.000 1.153 299 A CA 1.037 53.082 52.037 0.012 0.000 0.692 299 A CB -0.233 18.772 19.000 0.008 0.000 0.799 299 A HN 0.496 nan 8.150 nan 0.000 0.458 300 Q N -1.099 118.705 119.800 0.007 0.000 2.398 300 Q HA 0.077 4.417 4.340 0.001 0.000 0.204 300 Q C 2.065 178.077 176.000 0.019 0.000 0.932 300 Q CA 0.182 55.994 55.803 0.015 0.000 0.916 300 Q CB 0.111 28.852 28.738 0.006 0.000 1.024 300 Q HN 0.605 nan 8.270 nan 0.000 0.504 301 R N 0.072 120.577 120.500 0.008 0.000 2.096 301 R HA -0.085 4.255 4.340 0.001 0.000 0.235 301 R C 1.911 178.216 176.300 0.008 0.000 1.127 301 R CA 1.099 57.199 56.100 -0.000 0.000 0.968 301 R CB -0.015 30.275 30.300 -0.016 0.000 0.861 301 R HN 0.225 nan 8.270 nan 0.000 0.440 302 L N -0.134 121.113 121.223 0.040 0.000 2.168 302 L HA -0.001 4.340 4.340 0.001 0.000 0.203 302 L C 2.490 179.500 176.870 0.232 0.000 1.078 302 L CA 0.763 55.672 54.840 0.116 0.000 0.780 302 L CB -0.287 41.892 42.059 0.200 0.000 0.939 302 L HN 0.064 nan 8.230 nan 0.000 0.451 303 K N 0.947 121.432 120.400 0.142 0.000 2.097 303 K HA -0.055 4.265 4.320 0.001 0.000 0.206 303 K C 1.025 177.681 176.600 0.093 0.000 1.049 303 K CA 0.695 57.047 56.287 0.108 0.000 0.933 303 K CB -0.262 32.272 32.500 0.057 0.000 0.717 303 K HN 0.269 nan 8.250 nan 0.000 0.442 304 G N 1.365 110.210 108.800 0.076 0.000 2.321 304 G HA2 -0.118 3.843 3.960 0.001 0.000 0.237 304 G HA3 -0.118 3.843 3.960 0.001 0.000 0.237 304 G C -0.139 174.804 174.900 0.072 0.000 1.282 304 G CA -0.149 44.987 45.100 0.060 0.000 0.886 304 G HN 0.298 nan 8.290 nan 0.000 0.528 305 K N 0.973 121.408 120.400 0.059 0.000 2.611 305 K HA -0.009 4.311 4.320 0.001 0.000 0.193 305 K C 0.981 177.614 176.600 0.055 0.000 1.026 305 K CA 0.723 57.046 56.287 0.060 0.000 1.063 305 K CB 0.268 32.801 32.500 0.054 0.000 0.839 305 K HN 0.669 nan 8.250 nan 0.000 0.505 306 E N -0.931 119.299 120.200 0.051 0.000 2.639 306 E HA 0.086 4.437 4.350 0.001 0.000 0.225 306 E C 0.166 176.786 176.600 0.034 0.000 0.921 306 E CA -0.342 56.082 56.400 0.040 0.000 1.184 306 E CB 1.503 31.222 29.700 0.030 0.000 1.160 306 E HN 0.172 nan 8.360 nan 0.000 0.547 307 G N 0.143 108.967 108.800 0.039 0.000 2.542 307 G HA2 0.401 4.361 3.960 0.001 0.000 0.311 307 G HA3 0.401 4.361 3.960 0.001 0.000 0.311 307 G C 0.215 175.118 174.900 0.005 0.000 1.298 307 G CA -0.387 44.723 45.100 0.017 0.000 0.973 307 G HN -0.125 nan 8.290 nan 0.000 0.487 308 R N 0.272 120.740 120.500 -0.053 0.000 1.300 308 R HA -0.268 4.072 4.340 0.001 0.000 0.029 308 R C 1.754 177.945 176.300 -0.181 0.000 0.959 308 R CA 2.550 58.545 56.100 -0.175 0.000 1.961 308 R CB -1.781 28.334 30.300 -0.308 0.000 0.177 308 R HN 0.612 nan 8.270 nan 0.000 0.727 309 F N 0.840 120.798 119.950 0.012 0.000 2.187 309 F HA 0.061 4.589 4.527 0.001 0.000 0.295 309 F C 2.669 178.474 175.800 0.008 0.000 1.091 309 F CA 1.400 59.406 58.000 0.010 0.000 1.308 309 F CB -0.143 38.860 39.000 0.005 0.000 1.030 309 F HN 0.088 nan 8.300 nan 0.000 0.487 310 R N -0.687 119.926 120.500 0.189 0.000 2.189 310 R HA 0.114 4.455 4.340 0.001 0.000 0.203 310 R C 2.127 178.468 176.300 0.068 0.000 1.012 310 R CA 0.872 57.037 56.100 0.109 0.000 1.015 310 R CB -0.336 30.018 30.300 0.089 0.000 0.938 310 R HN 0.297 nan 8.270 nan 0.000 0.472 311 G N -0.586 108.244 108.800 0.051 0.000 3.020 311 G HA2 -0.025 3.935 3.960 0.001 0.000 0.217 311 G HA3 -0.025 3.935 3.960 0.001 0.000 0.217 311 G C 0.722 175.630 174.900 0.014 0.000 1.144 311 G CA -0.037 45.080 45.100 0.029 0.000 0.760 311 G HN 0.258 nan 8.290 nan 0.000 0.548 312 N N -1.351 117.351 118.700 0.003 0.000 2.200 312 N HA 0.254 4.994 4.740 0.001 0.000 0.233 312 N C 1.514 177.021 175.510 -0.006 0.000 1.236 312 N CA -0.152 52.891 53.050 -0.012 0.000 0.845 312 N CB 0.545 39.005 38.487 -0.044 0.000 1.257 312 N HN 0.080 nan 8.380 nan 0.000 0.472 313 L N -1.065 120.162 121.223 0.006 0.000 2.433 313 L HA 0.300 4.640 4.340 0.001 0.000 0.200 313 L C 1.789 178.691 176.870 0.053 0.000 1.059 313 L CA 0.609 55.465 54.840 0.026 0.000 0.835 313 L CB 0.032 42.109 42.059 0.031 0.000 1.076 313 L HN 0.031 nan 8.230 nan 0.000 0.481 314 S N -0.867 114.877 115.700 0.073 0.000 2.517 314 S HA 0.232 4.702 4.470 0.001 0.000 0.214 314 S C 0.645 175.271 174.600 0.043 0.000 0.991 314 S CA 0.318 58.555 58.200 0.061 0.000 0.906 314 S CB 0.214 63.459 63.200 0.074 0.000 0.789 314 S HN 0.350 nan 8.310 nan 0.000 0.513 315 G N 1.359 110.185 108.800 0.043 0.000 2.704 315 G HA2 0.508 4.468 3.960 0.001 0.000 0.279 315 G HA3 0.508 4.468 3.960 0.001 0.000 0.279 315 G C -1.150 173.772 174.900 0.037 0.000 1.510 315 G CA -0.585 44.537 45.100 0.038 0.000 1.144 315 G HN 0.206 nan 8.290 nan 0.000 0.564 316 K N 1.083 121.506 120.400 0.038 0.000 2.211 316 K HA 0.584 4.904 4.320 0.001 0.000 0.237 316 K C -0.018 176.613 176.600 0.051 0.000 1.002 316 K CA -0.945 55.365 56.287 0.038 0.000 0.885 316 K CB 2.114 34.635 32.500 0.036 0.000 1.136 316 K HN 0.342 nan 8.250 nan 0.000 0.448 317 R N 1.009 121.536 120.500 0.044 0.000 2.368 317 R HA 0.365 4.706 4.340 0.001 0.000 0.302 317 R C -0.470 175.864 176.300 0.057 0.000 1.002 317 R CA -0.719 55.410 56.100 0.050 0.000 0.929 317 R CB 1.251 31.569 30.300 0.029 0.000 1.073 317 R HN 0.405 nan 8.270 nan 0.000 0.464 318 V N -1.210 118.751 119.914 0.079 0.000 2.823 318 V HA 0.445 4.565 4.120 0.001 0.000 0.312 318 V C -0.429 175.703 176.094 0.062 0.000 1.072 318 V CA -1.231 61.129 62.300 0.099 0.000 0.937 318 V CB 2.122 34.058 31.823 0.188 0.000 1.013 318 V HN 0.567 nan 8.190 nan 0.000 0.430 319 D N 1.681 122.109 120.400 0.048 0.000 2.377 319 D HA 0.539 5.180 4.640 0.001 0.000 0.245 319 D C -0.142 176.197 176.300 0.065 0.000 1.196 319 D CA 0.244 54.200 54.000 -0.074 0.000 0.962 319 D CB -0.001 40.689 40.800 -0.184 0.000 1.127 319 D HN 0.674 nan 8.370 nan 0.000 0.471 320 F N -0.376 119.599 119.950 0.041 0.000 2.738 320 F HA -0.237 4.291 4.527 0.001 0.000 0.232 320 F C -0.117 175.692 175.800 0.016 0.000 1.025 320 F CA 0.186 58.211 58.000 0.041 0.000 0.895 320 F CB -1.772 37.260 39.000 0.053 0.000 0.839 320 F HN 0.165 nan 8.300 nan 0.000 0.850 321 S N -1.148 114.590 115.700 0.064 0.000 2.603 321 S HA 0.736 5.206 4.470 0.001 0.000 0.274 321 S C -0.701 173.869 174.600 -0.050 0.000 1.168 321 S CA -0.408 57.733 58.200 -0.099 0.000 0.963 321 S CB 2.142 65.170 63.200 -0.286 0.000 1.078 321 S HN 0.434 nan 8.310 nan 0.000 0.477 322 S N 1.373 117.075 115.700 0.002 0.000 2.600 322 S HA 0.781 5.251 4.470 0.001 0.000 0.300 322 S C -0.935 173.780 174.600 0.192 0.000 1.087 322 S CA -0.801 57.469 58.200 0.117 0.000 0.965 322 S CB 1.636 64.976 63.200 0.234 0.000 1.089 322 S HN 0.851 nan 8.310 nan 0.000 0.496 323 R N 1.787 122.377 120.500 0.150 0.000 2.532 323 R HA 0.649 4.990 4.340 0.001 0.000 0.297 323 R C -1.488 174.809 176.300 -0.006 0.000 0.984 323 R CA -0.249 55.936 56.100 0.142 0.000 0.884 323 R CB 1.571 31.907 30.300 0.059 0.000 1.182 323 R HN 0.784 nan 8.270 nan 0.000 0.442 324 T N 1.425 115.904 114.554 -0.125 0.000 2.843 324 T HA 0.254 4.605 4.350 0.001 0.000 0.302 324 T C -0.632 173.909 174.700 -0.265 0.000 1.232 324 T CA -0.711 61.148 62.100 -0.401 0.000 1.009 324 T CB 1.655 69.956 68.868 -0.945 0.000 1.254 324 T HN 0.214 nan 8.240 nan 0.000 0.504 325 V N 2.242 122.035 119.914 -0.201 0.000 2.843 325 V HA 0.302 4.423 4.120 0.001 0.000 0.305 325 V C 0.477 176.555 176.094 -0.027 0.000 1.065 325 V CA -0.358 61.896 62.300 -0.077 0.000 1.116 325 V CB -0.141 31.650 31.823 -0.053 0.000 0.968 325 V HN 0.770 nan 8.190 nan 0.000 0.487 326 I N 1.709 122.342 120.570 0.105 0.000 2.498 326 I HA 0.854 5.025 4.170 0.001 0.000 0.301 326 I C 0.100 176.407 176.117 0.317 0.000 0.984 326 I CA -0.258 61.192 61.300 0.249 0.000 1.204 326 I CB 1.957 40.143 38.000 0.311 0.000 1.362 326 I HN 0.655 nan 8.210 nan 0.000 0.471 327 S N 4.112 119.932 115.700 0.201 0.000 2.548 327 S HA 0.719 5.189 4.470 0.001 0.000 0.286 327 S C -2.891 171.450 174.600 -0.433 0.000 1.098 327 S CA -1.449 56.703 58.200 -0.079 0.000 0.930 327 S CB 1.938 65.090 63.200 -0.081 0.000 1.070 327 S HN 0.613 nan 8.310 nan 0.000 0.480 328 P HA 0.478 nan 4.420 nan 0.000 0.274 328 P C -1.268 175.828 177.300 -0.340 0.000 1.231 328 P CA 0.037 62.570 63.100 -0.944 0.000 0.790 328 P CB 0.457 31.500 31.700 -1.096 0.000 0.951 329 D N 1.585 121.888 120.400 -0.162 0.000 2.613 329 D HA 0.190 4.830 4.640 0.001 0.000 0.230 329 D C -1.906 174.398 176.300 0.008 0.000 1.365 329 D CA -1.816 52.145 54.000 -0.064 0.000 0.976 329 D CB 1.568 42.346 40.800 -0.037 0.000 1.415 329 D HN 0.062 nan 8.370 nan 0.000 0.589 330 P HA -0.055 nan 4.420 nan 0.000 0.220 330 P C 0.136 177.479 177.300 0.071 0.000 1.152 330 P CA 0.496 63.651 63.100 0.091 0.000 0.812 330 P CB 0.563 32.299 31.700 0.060 0.000 0.792 331 N N 1.343 120.063 118.700 0.032 0.000 2.364 331 N HA 0.323 5.064 4.740 0.001 0.000 0.264 331 N C 0.719 176.242 175.510 0.021 0.000 1.263 331 N CA -0.575 52.488 53.050 0.022 0.000 0.959 331 N CB -0.092 38.401 38.487 0.009 0.000 1.204 331 N HN 0.160 nan 8.380 nan 0.000 0.550 332 I N -3.692 116.888 120.570 0.017 0.000 8.905 332 I HA -0.264 3.907 4.170 0.001 0.000 0.126 332 I C -0.110 176.027 176.117 0.033 0.000 1.862 332 I CA -0.117 61.196 61.300 0.022 0.000 2.041 332 I CB -0.913 37.098 38.000 0.018 0.000 3.915 332 I HN 0.464 nan 8.210 nan 0.000 0.170 333 S N 4.612 120.331 115.700 0.033 0.000 2.580 333 S HA 0.374 4.845 4.470 0.001 0.000 0.266 333 S C 1.300 175.933 174.600 0.055 0.000 1.354 333 S CA 0.074 58.291 58.200 0.029 0.000 1.008 333 S CB 0.696 63.907 63.200 0.020 0.000 0.898 333 S HN 0.607 nan 8.310 nan 0.000 0.555 334 I N 1.567 122.160 120.570 0.037 0.000 2.361 334 I HA -0.153 4.018 4.170 0.001 0.000 0.251 334 I C 1.584 177.743 176.117 0.070 0.000 1.133 334 I CA 1.249 62.585 61.300 0.060 0.000 1.413 334 I CB -0.353 37.658 38.000 0.019 0.000 1.073 334 I HN 0.638 nan 8.210 nan 0.000 0.424 335 D N 0.707 121.131 120.400 0.039 0.000 2.178 335 D HA -0.056 4.585 4.640 0.001 0.000 0.202 335 D C 0.838 177.180 176.300 0.070 0.000 0.974 335 D CA 0.707 54.705 54.000 -0.004 0.000 0.841 335 D CB -0.003 40.813 40.800 0.027 0.000 0.953 335 D HN 0.368 nan 8.370 nan 0.000 0.478 336 E N -0.064 120.221 120.200 0.141 0.000 2.392 336 E HA 0.267 4.618 4.350 0.001 0.000 0.259 336 E C -0.685 176.047 176.600 0.220 0.000 1.108 336 E CA -0.226 56.266 56.400 0.152 0.000 0.916 336 E CB 2.281 32.021 29.700 0.067 0.000 0.989 336 E HN -0.192 nan 8.360 nan 0.000 0.432 337 V N 1.262 121.162 119.914 -0.023 0.000 2.638 337 V HA 0.545 4.666 4.120 0.001 0.000 0.306 337 V C -0.394 175.559 176.094 -0.235 0.000 1.052 337 V CA -0.420 61.665 62.300 -0.359 0.000 0.885 337 V CB 1.812 33.091 31.823 -0.906 0.000 0.999 337 V HN 0.706 nan 8.190 nan 0.000 0.424 338 G N 5.493 114.193 108.800 -0.168 0.000 2.338 338 G HA2 0.527 4.487 3.960 0.001 0.000 0.295 338 G HA3 0.527 4.487 3.960 0.001 0.000 0.295 338 G C -0.859 174.046 174.900 0.008 0.000 1.132 338 G CA -0.184 44.880 45.100 -0.060 0.000 0.922 338 G HN 0.805 nan 8.290 nan 0.000 0.427 339 V N 5.752 125.664 119.914 -0.003 0.000 2.448 339 V HA 0.326 4.446 4.120 0.001 0.000 0.295 339 V C -1.982 174.136 176.094 0.039 0.000 1.025 339 V CA -1.671 60.686 62.300 0.096 0.000 0.859 339 V CB 2.349 34.178 31.823 0.011 0.000 0.988 339 V HN 0.559 nan 8.190 nan 0.000 0.431 340 P HA 0.116 nan 4.420 nan 0.000 0.271 340 P C 0.775 178.034 177.300 -0.068 0.000 1.233 340 P CA 0.020 63.098 63.100 -0.037 0.000 0.789 340 P CB 1.025 32.698 31.700 -0.045 0.000 0.951 341 E N 0.877 120.998 120.200 -0.133 0.000 2.072 341 E HA -0.129 4.221 4.350 0.001 0.000 0.190 341 E C 1.722 178.292 176.600 -0.050 0.000 0.982 341 E CA 0.860 57.166 56.400 -0.157 0.000 0.803 341 E CB -0.188 29.393 29.700 -0.198 0.000 0.755 341 E HN 0.294 nan 8.360 nan 0.000 0.453 342 I N 1.571 122.117 120.570 -0.040 0.000 2.208 342 I HA -0.297 3.873 4.170 0.001 0.000 0.245 342 I C 2.329 178.452 176.117 0.010 0.000 1.097 342 I CA 1.088 62.377 61.300 -0.018 0.000 1.363 342 I CB -0.998 36.989 38.000 -0.022 0.000 1.051 342 I HN 0.246 nan 8.210 nan 0.000 0.413 343 I N 1.380 121.968 120.570 0.031 0.000 2.226 343 I HA -0.217 3.954 4.170 0.001 0.000 0.245 343 I C 2.857 179.032 176.117 0.098 0.000 1.100 343 I CA 1.625 62.977 61.300 0.086 0.000 1.374 343 I CB -1.559 36.539 38.000 0.164 0.000 1.057 343 I HN 0.140 nan 8.210 nan 0.000 0.413 344 A N 0.813 123.686 122.820 0.088 0.000 1.969 344 A HA -0.157 4.164 4.320 0.001 0.000 0.218 344 A C 2.441 180.067 177.584 0.070 0.000 1.169 344 A CA 1.050 53.170 52.037 0.139 0.000 0.635 344 A CB -0.494 18.646 19.000 0.234 0.000 0.810 344 A HN 0.341 nan 8.150 nan 0.000 0.445 345 R N -1.007 119.452 120.500 -0.068 0.000 2.148 345 R HA -0.036 4.304 4.340 0.001 0.000 0.223 345 R C 1.930 178.237 176.300 0.011 0.000 1.088 345 R CA 1.627 57.523 56.100 -0.339 0.000 0.985 345 R CB -0.358 29.785 30.300 -0.261 0.000 0.880 345 R HN 0.532 nan 8.270 nan 0.000 0.451 346 T N 1.293 115.894 114.554 0.078 0.000 2.818 346 T HA 0.110 4.460 4.350 0.001 0.000 0.246 346 T C 0.872 175.695 174.700 0.203 0.000 1.036 346 T CA 0.327 62.506 62.100 0.131 0.000 1.160 346 T CB -0.030 68.892 68.868 0.090 0.000 0.869 346 T HN 0.003 nan 8.240 nan 0.000 0.419 347 L N 3.270 124.613 121.223 0.201 0.000 2.455 347 L HA 0.309 4.649 4.340 0.001 0.000 0.272 347 L C 0.504 177.530 176.870 0.259 0.000 1.174 347 L CA -0.277 54.727 54.840 0.273 0.000 0.869 347 L CB 0.063 42.251 42.059 0.215 0.000 1.130 347 L HN 0.378 nan 8.230 nan 0.000 0.474 348 T N -0.105 114.625 114.554 0.294 0.000 2.906 348 T HA 0.713 5.063 4.350 0.001 0.000 0.295 348 T C -0.487 174.166 174.700 -0.079 0.000 1.061 348 T CA -0.869 61.314 62.100 0.137 0.000 1.000 348 T CB 2.008 70.992 68.868 0.194 0.000 1.103 348 T HN 0.250 nan 8.240 nan 0.000 0.486 349 V N -0.100 119.754 119.914 -0.101 0.000 2.459 349 V HA 0.673 4.794 4.120 0.001 0.000 0.295 349 V C -2.750 173.266 176.094 -0.130 0.000 1.029 349 V CA -2.733 59.468 62.300 -0.165 0.000 0.874 349 V CB 1.232 32.988 31.823 -0.113 0.000 0.985 349 V HN 0.828 nan 8.190 nan 0.000 0.438 350 P HA 0.375 nan 4.420 nan 0.000 0.251 350 P C -0.428 176.841 177.300 -0.052 0.000 1.718 350 P CA -0.007 63.044 63.100 -0.082 0.000 1.119 350 P CB 0.452 32.096 31.700 -0.093 0.000 1.762 351 E N 3.118 123.297 120.200 -0.035 0.000 2.227 351 E HA 0.201 4.552 4.350 0.001 0.000 0.282 351 E C -0.079 176.524 176.600 0.004 0.000 1.015 351 E CA -0.749 55.643 56.400 -0.012 0.000 0.823 351 E CB 0.820 30.516 29.700 -0.007 0.000 1.081 351 E HN 0.244 nan 8.360 nan 0.000 0.396 352 R N 3.272 123.775 120.500 0.005 0.000 2.490 352 R HA 0.220 4.561 4.340 0.001 0.000 0.280 352 R C -0.180 176.113 176.300 -0.011 0.000 1.077 352 R CA -0.632 55.469 56.100 0.001 0.000 1.065 352 R CB 0.533 30.827 30.300 -0.010 0.000 1.003 352 R HN 0.459 nan 8.270 nan 0.000 0.470 353 I N 2.175 122.739 120.570 -0.009 0.000 2.517 353 I HA -0.022 4.148 4.170 0.001 0.000 0.285 353 I C 0.757 176.788 176.117 -0.143 0.000 1.106 353 I CA 0.837 62.110 61.300 -0.045 0.000 1.402 353 I CB 0.846 38.843 38.000 -0.004 0.000 1.399 353 I HN 0.636 nan 8.210 nan 0.000 0.535 354 T N 3.671 118.072 114.554 -0.255 0.000 2.912 354 T HA 0.469 4.819 4.350 0.001 0.000 0.288 354 T C -2.139 172.231 174.700 -0.551 0.000 1.030 354 T CA -2.104 59.657 62.100 -0.565 0.000 1.020 354 T CB 1.739 70.007 68.868 -0.999 0.000 1.056 354 T HN 0.230 nan 8.240 nan 0.000 0.480 355 P HA 0.067 nan 4.420 nan 0.000 0.236 355 P C 0.054 177.284 177.300 -0.118 0.000 1.172 355 P CA 0.443 63.362 63.100 -0.301 0.000 0.759 355 P CB -0.315 31.245 31.700 -0.233 0.000 0.843 356 W N -1.320 119.983 121.300 0.004 0.000 2.725 356 W HA 0.307 4.968 4.660 0.001 0.000 0.336 356 W C 0.492 177.012 176.519 0.002 0.000 1.012 356 W CA -0.117 57.229 57.345 0.002 0.000 1.566 356 W CB -1.513 27.950 29.460 0.004 0.000 1.068 356 W HN -0.100 nan 8.180 nan 0.000 0.546 357 N N 1.313 120.107 118.700 0.157 0.000 2.241 357 N HA 0.012 4.752 4.740 0.001 0.000 0.238 357 N C 0.785 176.316 175.510 0.036 0.000 1.244 357 N CA 0.042 53.175 53.050 0.138 0.000 0.880 357 N CB -0.688 37.915 38.487 0.194 0.000 1.179 357 N HN 0.170 nan 8.380 nan 0.000 0.513 358 I N 1.332 121.894 120.570 -0.013 0.000 2.142 358 I HA -0.138 4.032 4.170 0.001 0.000 0.240 358 I C 2.037 178.126 176.117 -0.047 0.000 1.078 358 I CA 1.704 62.978 61.300 -0.043 0.000 1.343 358 I CB -0.096 37.865 38.000 -0.064 0.000 1.046 358 I HN 0.119 nan 8.210 nan 0.000 0.405 359 E N 0.493 120.667 120.200 -0.043 0.000 2.268 359 E HA -0.232 4.118 4.350 0.001 0.000 0.195 359 E C 2.180 178.707 176.600 -0.122 0.000 0.995 359 E CA 1.002 57.359 56.400 -0.072 0.000 0.836 359 E CB -0.253 29.415 29.700 -0.054 0.000 0.763 359 E HN 0.475 nan 8.360 nan 0.000 0.491 360 K N -0.294 120.045 120.400 -0.101 0.000 2.025 360 K HA -0.122 4.199 4.320 0.001 0.000 0.207 360 K C 1.629 178.064 176.600 -0.275 0.000 1.049 360 K CA 0.956 57.130 56.287 -0.188 0.000 0.933 360 K CB -0.027 32.458 32.500 -0.026 0.000 0.714 360 K HN 0.133 nan 8.250 nan 0.000 0.438 361 L N 1.306 122.514 121.223 -0.027 0.000 2.240 361 L HA 0.013 4.353 4.340 0.001 0.000 0.211 361 L C 2.285 179.145 176.870 -0.017 0.000 1.106 361 L CA 1.239 56.142 54.840 0.105 0.000 0.793 361 L CB -0.344 41.777 42.059 0.103 0.000 0.927 361 L HN 0.106 nan 8.230 nan 0.000 0.446 362 R N -1.045 119.401 120.500 -0.091 0.000 2.120 362 R HA -0.209 4.131 4.340 0.001 0.000 0.234 362 R C 2.149 178.366 176.300 -0.139 0.000 1.123 362 R CA 1.154 57.190 56.100 -0.107 0.000 0.975 362 R CB -0.151 30.085 30.300 -0.105 0.000 0.866 362 R HN 0.320 nan 8.270 nan 0.000 0.446 363 Q N 0.213 119.868 119.800 -0.241 0.000 2.083 363 Q HA -0.085 4.256 4.340 0.001 0.000 0.198 363 Q C 1.521 177.360 176.000 -0.269 0.000 0.969 363 Q CA 1.657 57.275 55.803 -0.308 0.000 0.838 363 Q CB -0.139 28.319 28.738 -0.467 0.000 0.900 363 Q HN 0.319 nan 8.270 nan 0.000 0.436 364 F N -1.293 118.590 119.950 -0.111 0.000 2.163 364 F HA -0.113 4.415 4.527 0.001 0.000 0.297 364 F C 2.255 177.967 175.800 -0.147 0.000 1.094 364 F CA 0.718 58.630 58.000 -0.146 0.000 1.290 364 F CB -0.265 38.633 39.000 -0.170 0.000 1.017 364 F HN 0.021 nan 8.300 nan 0.000 0.483 365 V N 0.303 120.247 119.914 0.050 0.000 2.809 365 V HA -0.179 3.942 4.120 0.001 0.000 0.256 365 V C 1.894 177.962 176.094 -0.043 0.000 1.080 365 V CA 1.183 63.470 62.300 -0.021 0.000 1.102 365 V CB -0.193 31.607 31.823 -0.038 0.000 0.705 365 V HN 0.316 nan 8.190 nan 0.000 0.475 366 I N -0.002 120.539 120.570 -0.047 0.000 2.584 366 I HA -0.056 4.115 4.170 0.001 0.000 0.255 366 I C 2.033 178.132 176.117 -0.031 0.000 1.145 366 I CA 1.073 62.344 61.300 -0.048 0.000 1.462 366 I CB -0.563 37.400 38.000 -0.061 0.000 1.102 366 I HN 0.355 nan 8.210 nan 0.000 0.433 367 N N 1.343 120.032 118.700 -0.019 0.000 2.069 367 N HA -0.037 4.703 4.740 0.001 0.000 0.191 367 N C 1.036 176.558 175.510 0.020 0.000 1.031 367 N CA 1.411 54.466 53.050 0.009 0.000 0.852 367 N CB -0.359 38.153 38.487 0.041 0.000 1.018 367 N HN 0.540 nan 8.380 nan 0.000 0.423 368 G N -1.343 107.459 108.800 0.003 0.000 2.631 368 G HA2 -0.146 3.814 3.960 0.001 0.000 0.504 368 G HA3 -0.146 3.814 3.960 0.001 0.000 0.504 368 G C -2.230 172.695 174.900 0.042 0.000 1.306 368 G CA -0.162 44.934 45.100 -0.007 0.000 0.897 368 G HN 0.116 nan 8.290 nan 0.000 0.520 369 P HA 0.167 nan 4.420 nan 0.000 0.240 369 P C 0.572 177.998 177.300 0.210 0.000 1.190 369 P CA 1.252 64.451 63.100 0.164 0.000 0.781 369 P CB 0.340 32.060 31.700 0.034 0.000 0.931 370 D N -0.656 119.824 120.400 0.134 0.000 2.259 370 D HA 0.013 4.653 4.640 0.001 0.000 0.216 370 D C 0.893 177.259 176.300 0.111 0.000 0.961 370 D CA 0.877 54.934 54.000 0.096 0.000 0.878 370 D CB -0.111 40.728 40.800 0.065 0.000 1.009 370 D HN -0.066 nan 8.370 nan 0.000 0.490 371 K N 0.984 121.464 120.400 0.133 0.000 2.339 371 K HA -0.014 4.307 4.320 0.001 0.000 0.286 371 K C 0.777 177.507 176.600 0.216 0.000 1.050 371 K CA -0.427 55.953 56.287 0.155 0.000 0.956 371 K CB 0.785 33.358 32.500 0.122 0.000 0.990 371 K HN 0.047 nan 8.250 nan 0.000 0.475 372 W N 7.541 128.875 121.300 0.057 0.000 2.290 372 W HA -0.202 4.459 4.660 0.001 0.000 0.328 372 W C -1.282 175.356 176.519 0.199 0.000 1.272 372 W CA 1.498 58.857 57.345 0.023 0.000 1.262 372 W CB -1.283 28.178 29.460 0.003 0.000 1.151 372 W HN 0.439 nan 8.180 nan 0.000 0.473 373 P HA 0.355 nan 4.420 nan 0.000 0.256 373 P C -0.030 177.363 177.300 0.154 0.000 1.689 373 P CA 0.738 63.545 63.100 -0.489 0.000 1.124 373 P CB 0.561 32.017 31.700 -0.406 0.000 1.766 374 G N 1.441 110.308 108.800 0.111 0.000 2.772 374 G HA2 0.747 4.708 3.960 0.001 0.000 0.284 374 G HA3 0.747 4.708 3.960 0.001 0.000 0.284 374 G C -1.898 172.629 174.900 -0.622 0.000 1.217 374 G CA -0.383 44.709 45.100 -0.014 0.000 0.831 374 G HN 0.460 nan 8.290 nan 0.000 0.523 375 A N -1.167 121.308 122.820 -0.575 0.000 2.572 375 A HA 0.717 5.038 4.320 0.001 0.000 0.295 375 A C -0.219 177.138 177.584 -0.379 0.000 1.072 375 A CA -0.518 51.199 52.037 -0.533 0.000 0.691 375 A CB 1.598 20.467 19.000 -0.219 0.000 1.291 375 A HN 0.388 nan 8.150 nan 0.000 0.404 376 N N -0.844 117.684 118.700 -0.286 0.000 2.510 376 N HA 0.225 4.966 4.740 0.001 0.000 0.186 376 N C -0.805 174.355 175.510 -0.582 0.000 1.051 376 N CA 1.132 53.974 53.050 -0.347 0.000 0.877 376 N CB 0.123 38.476 38.487 -0.223 0.000 1.183 376 N HN 0.648 nan 8.380 nan 0.000 0.443 377 Y N -1.035 119.235 120.300 -0.049 0.000 2.581 377 Y HA 0.581 5.132 4.550 0.001 0.000 0.345 377 Y C -0.650 175.237 175.900 -0.021 0.000 1.036 377 Y CA -1.171 56.910 58.100 -0.031 0.000 1.042 377 Y CB 2.342 40.803 38.460 0.002 0.000 1.289 377 Y HN -0.328 nan 8.280 nan 0.000 0.471 378 V N 4.081 124.105 119.914 0.183 0.000 2.532 378 V HA 0.514 4.634 4.120 0.001 0.000 0.294 378 V C -1.205 174.981 176.094 0.152 0.000 1.036 378 V CA -0.627 61.757 62.300 0.140 0.000 0.876 378 V CB 0.815 32.699 31.823 0.100 0.000 1.012 378 V HN 0.683 nan 8.190 nan 0.000 0.432 379 I N 7.779 128.420 120.570 0.119 0.000 2.379 379 I HA 0.400 4.570 4.170 0.001 0.000 0.290 379 I C 0.976 177.115 176.117 0.037 0.000 1.063 379 I CA -0.137 61.199 61.300 0.061 0.000 1.351 379 I CB 0.586 38.596 38.000 0.017 0.000 1.410 379 I HN 0.545 nan 8.210 nan 0.000 0.505 380 R N 7.961 128.443 120.500 -0.029 0.000 2.707 380 R HA 0.158 4.499 4.340 0.001 0.000 0.270 380 R C -1.312 174.765 176.300 -0.371 0.000 1.083 380 R CA -1.304 54.613 56.100 -0.306 0.000 1.182 380 R CB 0.092 30.289 30.300 -0.172 0.000 1.084 380 R HN 0.404 nan 8.270 nan 0.000 0.528 381 P HA -0.132 nan 4.420 nan 0.000 0.225 381 P C -0.200 176.981 177.300 -0.199 0.000 1.148 381 P CA 1.196 64.097 63.100 -0.332 0.000 0.779 381 P CB 0.206 31.694 31.700 -0.353 0.000 0.780 382 D N -0.211 120.077 120.400 -0.187 0.000 2.178 382 D HA 0.007 4.647 4.640 0.001 0.000 0.202 382 D C 1.798 178.052 176.300 -0.076 0.000 0.974 382 D CA 1.884 55.822 54.000 -0.104 0.000 0.841 382 D CB -0.714 40.040 40.800 -0.077 0.000 0.953 382 D HN 0.266 nan 8.370 nan 0.000 0.478 383 G N -0.090 108.662 108.800 -0.080 0.000 2.179 383 G HA2 -0.290 3.670 3.960 0.001 0.000 0.220 383 G HA3 -0.290 3.670 3.960 0.001 0.000 0.220 383 G C 0.370 175.250 174.900 -0.033 0.000 0.990 383 G CA -0.092 44.977 45.100 -0.051 0.000 0.646 383 G HN 0.385 nan 8.290 nan 0.000 0.517 384 R N 0.530 121.013 120.500 -0.029 0.000 2.410 384 R HA 0.633 4.973 4.340 0.001 0.000 0.288 384 R C 0.355 176.665 176.300 0.016 0.000 1.051 384 R CA -0.642 55.456 56.100 -0.003 0.000 1.021 384 R CB 0.503 30.806 30.300 0.004 0.000 1.032 384 R HN 0.242 nan 8.270 nan 0.000 0.481 385 R N 4.205 124.722 120.500 0.028 0.000 2.474 385 R HA 0.371 4.712 4.340 0.001 0.000 0.295 385 R C -0.758 175.598 176.300 0.093 0.000 0.980 385 R CA -0.703 55.430 56.100 0.055 0.000 0.934 385 R CB 0.928 31.235 30.300 0.011 0.000 1.101 385 R HN 0.470 nan 8.270 nan 0.000 0.469 386 I N 2.967 123.616 120.570 0.132 0.000 2.389 386 I HA 0.171 4.341 4.170 0.001 0.000 0.288 386 I C -0.415 175.754 176.117 0.087 0.000 0.999 386 I CA -0.724 60.628 61.300 0.086 0.000 1.129 386 I CB 1.507 39.539 38.000 0.054 0.000 1.288 386 I HN 0.523 nan 8.210 nan 0.000 0.444 387 D N 6.596 126.959 120.400 -0.063 0.000 2.380 387 D HA 0.235 4.875 4.640 0.001 0.000 0.230 387 D C 1.050 177.048 176.300 -0.504 0.000 1.154 387 D CA -0.186 53.615 54.000 -0.332 0.000 0.859 387 D CB 1.146 41.657 40.800 -0.481 0.000 1.045 387 D HN 0.436 nan 8.370 nan 0.000 0.495 388 L N 3.258 124.222 121.223 -0.432 0.000 2.376 388 L HA -0.085 4.255 4.340 0.001 0.000 0.219 388 L C 2.286 179.000 176.870 -0.261 0.000 1.133 388 L CA 0.261 54.927 54.840 -0.290 0.000 0.816 388 L CB -0.150 41.775 42.059 -0.224 0.000 0.933 388 L HN 0.253 nan 8.230 nan 0.000 0.449 389 R N 1.592 121.886 120.500 -0.342 0.000 2.103 389 R HA -0.192 4.148 4.340 0.001 0.000 0.242 389 R C -0.038 176.256 176.300 -0.010 0.000 1.142 389 R CA 1.534 57.545 56.100 -0.149 0.000 0.960 389 R CB -0.351 29.908 30.300 -0.069 0.000 0.858 389 R HN 0.473 nan 8.270 nan 0.000 0.439 390 Y N -0.815 119.469 120.300 -0.027 0.000 2.646 390 Y HA 0.558 5.108 4.550 0.001 0.000 0.334 390 Y C -1.217 174.680 175.900 -0.005 0.000 1.004 390 Y CA -1.848 56.246 58.100 -0.009 0.000 1.301 390 Y CB 0.834 39.295 38.460 0.001 0.000 1.093 390 Y HN -0.138 nan 8.280 nan 0.000 0.530 391 V N -0.484 119.455 119.914 0.042 0.000 2.841 391 V HA 0.573 4.693 4.120 0.001 0.000 0.310 391 V C -0.651 175.462 176.094 0.032 0.000 1.090 391 V CA -1.816 60.495 62.300 0.019 0.000 0.930 391 V CB 2.172 33.974 31.823 -0.036 0.000 1.014 391 V HN 0.578 nan 8.190 nan 0.000 0.425 392 K N 2.350 122.770 120.400 0.034 0.000 2.262 392 K HA 0.403 4.724 4.320 0.001 0.000 0.288 392 K C -0.589 176.018 176.600 0.011 0.000 1.090 392 K CA 0.243 56.545 56.287 0.026 0.000 0.918 392 K CB 0.015 32.532 32.500 0.029 0.000 1.139 392 K HN 1.015 nan 8.250 nan 0.000 0.462 393 D N 1.369 121.773 120.400 0.006 0.000 5.167 393 D HA -0.161 4.479 4.640 0.001 0.000 0.237 393 D C 0.231 176.523 176.300 -0.013 0.000 1.278 393 D CA 0.395 54.393 54.000 -0.003 0.000 1.266 393 D CB 0.256 41.054 40.800 -0.004 0.000 0.704 393 D HN 0.556 nan 8.370 nan 0.000 0.350 394 R N 2.738 123.227 120.500 -0.018 0.000 2.297 394 R HA 0.059 4.400 4.340 0.001 0.000 0.197 394 R C 1.730 178.008 176.300 -0.037 0.000 0.943 394 R CA 0.434 56.516 56.100 -0.030 0.000 1.038 394 R CB 0.175 30.457 30.300 -0.031 0.000 0.957 394 R HN 0.330 nan 8.270 nan 0.000 0.484 395 K N 0.324 120.705 120.400 -0.032 0.000 2.432 395 K HA -0.061 4.259 4.320 0.001 0.000 0.196 395 K C 1.088 177.663 176.600 -0.042 0.000 1.038 395 K CA 0.658 56.922 56.287 -0.037 0.000 0.986 395 K CB 0.309 32.791 32.500 -0.030 0.000 0.782 395 K HN 0.226 nan 8.250 nan 0.000 0.485 396 E N 0.534 120.711 120.200 -0.038 0.000 2.028 396 E HA -0.165 4.185 4.350 0.001 0.000 0.191 396 E C 1.652 178.215 176.600 -0.062 0.000 0.988 396 E CA 1.041 57.417 56.400 -0.040 0.000 0.799 396 E CB 0.004 29.688 29.700 -0.027 0.000 0.755 396 E HN 0.273 nan 8.360 nan 0.000 0.447 397 L N 0.575 121.756 121.223 -0.071 0.000 2.456 397 L HA -0.064 4.276 4.340 0.001 0.000 0.224 397 L C 2.404 179.190 176.870 -0.140 0.000 1.148 397 L CA 0.223 54.996 54.840 -0.111 0.000 0.825 397 L CB -0.466 41.536 42.059 -0.096 0.000 0.937 397 L HN 0.133 nan 8.230 nan 0.000 0.450 398 A N 0.600 123.357 122.820 -0.105 0.000 1.902 398 A HA -0.179 4.141 4.320 0.001 0.000 0.217 398 A C 2.329 179.846 177.584 -0.112 0.000 1.181 398 A CA 1.956 53.931 52.037 -0.104 0.000 0.623 398 A CB -0.462 18.491 19.000 -0.080 0.000 0.818 398 A HN 0.490 nan 8.150 nan 0.000 0.443 399 S N -1.724 113.917 115.700 -0.098 0.000 2.614 399 S HA 0.145 4.616 4.470 0.001 0.000 0.230 399 S C 0.835 175.370 174.600 -0.109 0.000 0.952 399 S CA 0.639 58.785 58.200 -0.089 0.000 0.949 399 S CB -0.041 63.122 63.200 -0.061 0.000 0.786 399 S HN 0.418 nan 8.310 nan 0.000 0.478 400 T N 1.487 115.940 114.554 -0.168 0.000 2.969 400 T HA 0.358 4.708 4.350 0.001 0.000 0.250 400 T C 0.473 174.889 174.700 -0.474 0.000 1.021 400 T CA -0.298 61.667 62.100 -0.225 0.000 1.003 400 T CB -0.038 68.715 68.868 -0.192 0.000 1.040 400 T HN 0.316 nan 8.240 nan 0.000 0.492 401 L N 2.244 123.174 121.223 -0.488 0.000 2.453 401 L HA 0.536 4.877 4.340 0.001 0.000 0.272 401 L C 0.335 177.038 176.870 -0.278 0.000 1.182 401 L CA -0.370 54.117 54.840 -0.589 0.000 0.858 401 L CB 0.285 42.145 42.059 -0.331 0.000 1.120 401 L HN 0.249 nan 8.230 nan 0.000 0.474 402 A N 4.900 127.660 122.820 -0.101 0.000 2.557 402 A HA 0.737 5.057 4.320 0.001 0.000 0.292 402 A C -2.787 174.887 177.584 0.150 0.000 1.139 402 A CA -1.295 50.778 52.037 0.059 0.000 0.665 402 A CB 1.052 20.111 19.000 0.100 0.000 1.285 402 A HN 0.430 nan 8.150 nan 0.000 0.433 403 P HA 0.328 nan 4.420 nan 0.000 0.262 403 P C 0.993 178.318 177.300 0.040 0.000 1.182 403 P CA 2.272 65.378 63.100 0.010 0.000 0.761 403 P CB 0.564 32.241 31.700 -0.038 0.000 0.795 404 G N 1.732 110.533 108.800 0.001 0.000 2.491 404 G HA2 -0.210 3.751 3.960 0.001 0.000 0.203 404 G HA3 -0.210 3.751 3.960 0.001 0.000 0.203 404 G C -0.262 174.579 174.900 -0.098 0.000 1.052 404 G CA -0.596 44.457 45.100 -0.079 0.000 0.675 404 G HN 0.424 nan 8.290 nan 0.000 0.504 405 Y N 0.764 121.041 120.300 -0.038 0.000 2.457 405 Y HA 0.459 5.010 4.550 0.001 0.000 0.341 405 Y C 0.753 176.636 175.900 -0.029 0.000 1.240 405 Y CA 0.327 58.410 58.100 -0.029 0.000 1.437 405 Y CB 1.269 39.712 38.460 -0.027 0.000 1.328 405 Y HN 0.149 nan 8.280 nan 0.000 0.588 406 V N 3.233 123.233 119.914 0.144 0.000 2.447 406 V HA 0.213 4.333 4.120 0.001 0.000 0.292 406 V C -0.811 175.331 176.094 0.080 0.000 1.021 406 V CA -0.960 61.384 62.300 0.074 0.000 0.850 406 V CB 1.400 33.239 31.823 0.027 0.000 1.005 406 V HN 0.468 nan 8.190 nan 0.000 0.426 407 V N 4.409 124.358 119.914 0.057 0.000 2.408 407 V HA 0.214 4.334 4.120 0.001 0.000 0.267 407 V C 0.765 176.865 176.094 0.009 0.000 1.047 407 V CA -0.315 62.008 62.300 0.038 0.000 0.937 407 V CB 1.171 33.010 31.823 0.027 0.000 0.999 407 V HN 0.852 nan 8.190 nan 0.000 0.472 408 E N 5.508 125.729 120.200 0.035 0.000 1.881 408 E HA 0.087 4.438 4.350 0.001 0.000 0.264 408 E C 0.261 176.821 176.600 -0.066 0.000 1.243 408 E CA -0.100 56.319 56.400 0.032 0.000 0.965 408 E CB 0.368 30.172 29.700 0.174 0.000 1.055 408 E HN 0.447 nan 8.360 nan 0.000 0.412 409 R N 2.839 123.258 120.500 -0.136 0.000 2.404 409 R HA 0.142 4.482 4.340 0.001 0.000 0.291 409 R C -0.229 175.923 176.300 -0.246 0.000 1.025 409 R CA -0.484 55.434 56.100 -0.303 0.000 0.991 409 R CB 0.663 30.742 30.300 -0.369 0.000 1.053 409 R HN 0.529 nan 8.270 nan 0.000 0.479 410 H N 1.673 120.584 119.070 -0.265 0.000 2.983 410 H HA -0.071 4.486 4.556 0.001 0.000 0.361 410 H C -0.062 175.161 175.328 -0.175 0.000 1.145 410 H CA -0.453 55.492 56.048 -0.172 0.000 1.404 410 H CB 0.516 30.160 29.762 -0.197 0.000 1.356 410 H HN 0.253 nan 8.280 nan 0.000 0.612 411 L N 2.734 124.036 121.223 0.131 0.000 2.562 411 L HA 0.006 4.347 4.340 0.001 0.000 0.271 411 L C 0.690 177.666 176.870 0.176 0.000 1.167 411 L CA 0.644 55.549 54.840 0.108 0.000 0.917 411 L CB -0.148 41.991 42.059 0.134 0.000 1.187 411 L HN 0.699 nan 8.230 nan 0.000 0.482 412 T N -0.794 113.796 114.554 0.061 0.000 2.950 412 T HA 0.374 4.724 4.350 0.001 0.000 0.288 412 T C -0.207 174.606 174.700 0.189 0.000 1.035 412 T CA -1.158 61.015 62.100 0.122 0.000 1.028 412 T CB 1.091 69.893 68.868 -0.110 0.000 1.109 412 T HN 0.323 nan 8.240 nan 0.000 0.514 413 D N 1.054 121.622 120.400 0.279 0.000 2.383 413 D HA 0.377 5.017 4.640 0.001 0.000 0.275 413 D C 1.320 177.692 176.300 0.120 0.000 1.344 413 D CA 1.585 55.705 54.000 0.198 0.000 0.984 413 D CB 0.130 41.065 40.800 0.224 0.000 1.104 413 D HN 1.020 nan 8.370 nan 0.000 0.524 414 G N 2.757 111.608 108.800 0.085 0.000 3.033 414 G HA2 -0.191 3.769 3.960 0.001 0.000 0.208 414 G HA3 -0.191 3.769 3.960 0.001 0.000 0.208 414 G C 0.072 174.999 174.900 0.046 0.000 1.006 414 G CA -0.648 44.489 45.100 0.061 0.000 0.808 414 G HN 0.397 nan 8.290 nan 0.000 0.499 415 D N 1.323 121.747 120.400 0.041 0.000 2.525 415 D HA 0.288 4.929 4.640 0.001 0.000 0.235 415 D C 0.700 177.012 176.300 0.021 0.000 1.137 415 D CA 0.464 54.479 54.000 0.024 0.000 0.868 415 D CB 1.847 42.656 40.800 0.015 0.000 1.180 415 D HN 0.111 nan 8.370 nan 0.000 0.465 416 V N 3.468 123.395 119.914 0.022 0.000 2.455 416 V HA 0.167 4.288 4.120 0.001 0.000 0.273 416 V C 0.585 176.696 176.094 0.029 0.000 1.045 416 V CA -0.184 62.133 62.300 0.030 0.000 0.976 416 V CB 1.426 33.268 31.823 0.031 0.000 0.993 416 V HN 0.214 nan 8.190 nan 0.000 0.475 417 V N 6.335 126.273 119.914 0.041 0.000 2.709 417 V HA 0.438 4.558 4.120 0.001 0.000 0.308 417 V C -0.579 175.576 176.094 0.101 0.000 1.062 417 V CA -0.793 61.529 62.300 0.037 0.000 0.901 417 V CB 2.253 34.047 31.823 -0.048 0.000 1.003 417 V HN 0.615 nan 8.190 nan 0.000 0.425 418 L N 5.034 126.340 121.223 0.138 0.000 2.319 418 L HA 0.424 4.764 4.340 0.001 0.000 0.280 418 L C -0.623 176.432 176.870 0.308 0.000 1.099 418 L CA 0.494 55.462 54.840 0.212 0.000 0.828 418 L CB 0.526 42.691 42.059 0.177 0.000 1.150 418 L HN 0.477 nan 8.230 nan 0.000 0.442 419 F N 4.833 124.859 119.950 0.126 0.000 2.427 419 F HA 0.411 4.938 4.527 0.001 0.000 0.348 419 F C 0.005 175.875 175.800 0.116 0.000 1.125 419 F CA -1.068 56.936 58.000 0.007 0.000 0.989 419 F CB 0.963 39.884 39.000 -0.132 0.000 1.165 419 F HN 0.535 nan 8.300 nan 0.000 0.442 420 N N 5.521 124.244 118.700 0.037 0.000 2.314 420 N HA 0.405 5.145 4.740 0.001 0.000 0.294 420 N C -1.452 174.000 175.510 -0.097 0.000 1.029 420 N CA -0.498 52.587 53.050 0.057 0.000 0.845 420 N CB 1.767 40.357 38.487 0.171 0.000 1.321 420 N HN 0.694 nan 8.380 nan 0.000 0.481 421 R N 2.304 122.800 120.500 -0.007 0.000 2.534 421 R HA 0.247 4.588 4.340 0.001 0.000 0.301 421 R C -0.817 175.501 176.300 0.030 0.000 0.961 421 R CA -0.527 55.556 56.100 -0.030 0.000 0.871 421 R CB 1.479 31.751 30.300 -0.046 0.000 1.170 421 R HN 0.630 nan 8.270 nan 0.000 0.446 422 Q N 3.530 123.338 119.800 0.014 0.000 2.306 422 Q HA 0.567 4.908 4.340 0.001 0.000 0.265 422 Q C -2.359 173.647 176.000 0.010 0.000 1.022 422 Q CA -2.228 53.588 55.803 0.022 0.000 0.853 422 Q CB 1.637 30.393 28.738 0.030 0.000 1.327 422 Q HN 0.348 nan 8.270 nan 0.000 0.449 423 P HA 0.176 nan 4.420 nan 0.000 0.279 423 P C -0.992 176.322 177.300 0.023 0.000 1.239 423 P CA -0.556 62.556 63.100 0.019 0.000 0.789 423 P CB 1.002 32.712 31.700 0.017 0.000 0.933 424 S N 2.116 117.832 115.700 0.027 0.000 2.642 424 S HA 0.130 4.601 4.470 0.001 0.000 0.309 424 S C 1.198 175.816 174.600 0.030 0.000 1.125 424 S CA -0.402 57.816 58.200 0.029 0.000 1.055 424 S CB -0.370 62.846 63.200 0.027 0.000 1.157 424 S HN 0.284 nan 8.310 nan 0.000 0.513 425 L N 1.263 122.509 121.223 0.040 0.000 2.095 425 L HA 0.230 4.570 4.340 0.001 0.000 0.204 425 L C 1.080 178.017 176.870 0.112 0.000 1.080 425 L CA 1.202 56.075 54.840 0.055 0.000 0.759 425 L CB -0.558 41.523 42.059 0.037 0.000 0.914 425 L HN 0.490 nan 8.230 nan 0.000 0.439 426 H N -0.857 118.188 119.070 -0.042 0.000 2.676 426 H HA 0.364 4.920 4.556 0.001 0.000 0.352 426 H C 1.053 176.346 175.328 -0.057 0.000 1.193 426 H CA -0.881 55.133 56.048 -0.056 0.000 1.243 426 H CB 1.180 30.892 29.762 -0.083 0.000 1.751 426 H HN -0.051 nan 8.280 nan 0.000 0.567 427 R N 1.213 121.544 120.500 -0.281 0.000 2.115 427 R HA -0.009 4.331 4.340 0.001 0.000 0.226 427 R C 0.966 177.197 176.300 -0.115 0.000 1.100 427 R CA 1.283 57.275 56.100 -0.180 0.000 0.980 427 R CB -0.163 30.008 30.300 -0.215 0.000 0.875 427 R HN 0.380 nan 8.270 nan 0.000 0.445 428 I N 2.191 122.695 120.570 -0.111 0.000 2.657 428 I HA -0.146 4.025 4.170 0.001 0.000 0.261 428 I C 1.054 177.048 176.117 -0.205 0.000 1.212 428 I CA 1.077 62.310 61.300 -0.111 0.000 1.453 428 I CB -1.060 36.914 38.000 -0.044 0.000 1.092 428 I HN 0.165 nan 8.210 nan 0.000 0.452 429 S N 0.318 115.953 115.700 -0.109 0.000 2.727 429 S HA 0.085 4.555 4.470 0.001 0.000 0.226 429 S C 0.886 175.522 174.600 0.059 0.000 0.963 429 S CA 0.344 58.494 58.200 -0.083 0.000 0.950 429 S CB -0.373 62.831 63.200 0.006 0.000 0.779 429 S HN 0.446 nan 8.310 nan 0.000 0.532 430 M N 1.378 121.012 119.600 0.056 0.000 2.295 430 M HA 0.344 4.825 4.480 0.001 0.000 0.219 430 M C -1.779 174.617 176.300 0.160 0.000 0.981 430 M CA 0.021 55.433 55.300 0.187 0.000 1.019 430 M CB 0.739 33.404 32.600 0.108 0.000 2.528 430 M HN 0.085 nan 8.290 nan 0.000 0.445 431 M N 1.994 121.769 119.600 0.291 0.000 2.849 431 M HA 0.855 5.336 4.480 0.001 0.000 0.299 431 M C 0.181 176.634 176.300 0.255 0.000 1.223 431 M CA -0.796 54.625 55.300 0.201 0.000 0.856 431 M CB 1.746 34.430 32.600 0.140 0.000 1.680 431 M HN 0.605 nan 8.290 nan 0.000 0.506 432 A N -0.049 122.844 122.820 0.121 0.000 2.302 432 A HA 0.632 4.953 4.320 0.001 0.000 0.285 432 A C -0.848 176.753 177.584 0.028 0.000 1.105 432 A CA -0.243 51.856 52.037 0.104 0.000 0.816 432 A CB 0.346 19.374 19.000 0.047 0.000 1.067 432 A HN 0.798 nan 8.150 nan 0.000 0.489 433 H N 0.577 119.675 119.070 0.047 0.000 3.012 433 H HA 0.358 4.915 4.556 0.001 0.000 0.367 433 H C -0.790 174.516 175.328 -0.037 0.000 1.211 433 H CA -0.787 55.257 56.048 -0.006 0.000 1.139 433 H CB 1.680 31.367 29.762 -0.124 0.000 1.838 433 H HN 0.632 nan 8.280 nan 0.000 0.550 434 R N 1.595 122.155 120.500 0.100 0.000 2.265 434 R HA 0.252 4.592 4.340 0.001 0.000 0.319 434 R C -0.409 175.903 176.300 0.020 0.000 1.006 434 R CA -0.922 55.209 56.100 0.051 0.000 0.880 434 R CB 1.291 31.620 30.300 0.048 0.000 1.077 434 R HN 0.213 nan 8.270 nan 0.000 0.454 435 V N 4.342 124.259 119.914 0.004 0.000 2.479 435 V HA 0.069 4.189 4.120 0.001 0.000 0.281 435 V C 0.755 176.859 176.094 0.017 0.000 1.031 435 V CA 0.020 62.310 62.300 -0.017 0.000 1.038 435 V CB 0.375 32.201 31.823 0.006 0.000 0.981 435 V HN 0.513 nan 8.190 nan 0.000 0.478 436 R N 4.956 125.447 120.500 -0.016 0.000 2.352 436 R HA 0.462 4.802 4.340 0.001 0.000 0.304 436 R C -1.213 175.057 176.300 -0.050 0.000 1.104 436 R CA -0.344 55.751 56.100 -0.008 0.000 0.991 436 R CB 1.153 31.445 30.300 -0.013 0.000 1.140 436 R HN 0.494 nan 8.270 nan 0.000 0.540 437 V N 6.803 126.677 119.914 -0.068 0.000 2.521 437 V HA 0.289 4.410 4.120 0.001 0.000 0.286 437 V C 0.309 176.213 176.094 -0.316 0.000 1.034 437 V CA -0.001 62.161 62.300 -0.229 0.000 1.045 437 V CB 0.299 31.862 31.823 -0.432 0.000 0.974 437 V HN 0.734 nan 8.190 nan 0.000 0.480 438 L N 1.999 123.068 121.223 -0.256 0.000 2.622 438 L HA 0.658 4.998 4.340 0.001 0.000 0.258 438 L C -0.541 176.223 176.870 -0.176 0.000 0.996 438 L CA -1.226 53.486 54.840 -0.214 0.000 0.858 438 L CB 2.081 44.062 42.059 -0.130 0.000 1.449 438 L HN 0.418 nan 8.230 nan 0.000 0.411 439 K N 0.778 121.087 120.400 -0.153 0.000 2.469 439 K HA 0.500 4.820 4.320 0.001 0.000 0.274 439 K C 0.249 176.794 176.600 -0.091 0.000 0.983 439 K CA 1.544 57.760 56.287 -0.118 0.000 0.974 439 K CB 0.239 32.683 32.500 -0.093 0.000 0.913 439 K HN 1.097 nan 8.250 nan 0.000 0.493 440 G N 1.557 110.308 108.800 -0.082 0.000 2.462 440 G HA2 -0.130 3.830 3.960 0.001 0.000 0.685 440 G HA3 -0.130 3.830 3.960 0.001 0.000 0.685 440 G C -0.352 174.499 174.900 -0.081 0.000 1.295 440 G CA -0.608 44.448 45.100 -0.073 0.000 0.941 440 G HN 0.549 nan 8.290 nan 0.000 0.554 441 L N 1.001 122.172 121.223 -0.087 0.000 3.066 441 L HA 0.353 4.693 4.340 0.001 0.000 0.265 441 L C 1.005 177.770 176.870 -0.174 0.000 1.232 441 L CA 0.399 55.169 54.840 -0.116 0.000 1.031 441 L CB 0.264 42.262 42.059 -0.102 0.000 1.379 441 L HN 0.839 nan 8.230 nan 0.000 0.563 442 T N -3.457 111.012 114.554 -0.142 0.000 2.908 442 T HA 0.537 4.888 4.350 0.001 0.000 0.290 442 T C -0.387 174.284 174.700 -0.050 0.000 1.034 442 T CA -0.514 61.491 62.100 -0.159 0.000 1.010 442 T CB 1.669 70.499 68.868 -0.062 0.000 1.068 442 T HN -0.114 nan 8.240 nan 0.000 0.481 443 F N 1.665 121.637 119.950 0.038 0.000 2.443 443 F HA 0.441 4.968 4.527 0.001 0.000 0.353 443 F C 1.276 177.113 175.800 0.061 0.000 1.101 443 F CA -1.201 56.825 58.000 0.044 0.000 1.226 443 F CB 0.875 39.994 39.000 0.198 0.000 1.140 443 F HN 0.164 nan 8.300 nan 0.000 0.557 444 R N 3.730 124.340 120.500 0.184 0.000 2.229 444 R HA 0.421 4.761 4.340 0.001 0.000 0.332 444 R C -1.230 175.141 176.300 0.118 0.000 0.989 444 R CA -0.951 55.211 56.100 0.104 0.000 0.842 444 R CB 1.324 31.638 30.300 0.023 0.000 1.119 444 R HN 0.516 nan 8.270 nan 0.000 0.456 445 L N 3.267 124.624 121.223 0.224 0.000 2.294 445 L HA 0.324 4.665 4.340 0.001 0.000 0.283 445 L C 0.149 177.176 176.870 0.262 0.000 1.015 445 L CA -0.345 54.668 54.840 0.288 0.000 0.831 445 L CB 1.120 43.409 42.059 0.384 0.000 1.217 445 L HN 0.502 nan 8.230 nan 0.000 0.420 446 N N 3.942 122.767 118.700 0.209 0.000 2.356 446 N HA -0.077 4.663 4.740 0.001 0.000 0.252 446 N C 0.986 176.620 175.510 0.208 0.000 1.241 446 N CA 0.412 53.561 53.050 0.166 0.000 0.861 446 N CB 0.783 39.347 38.487 0.128 0.000 1.075 446 N HN 0.808 nan 8.380 nan 0.000 0.461 447 L N 3.725 125.064 121.223 0.194 0.000 2.275 447 L HA -0.139 4.202 4.340 0.001 0.000 0.215 447 L C 2.099 179.054 176.870 0.142 0.000 1.119 447 L CA 0.776 55.771 54.840 0.258 0.000 0.790 447 L CB -0.081 42.179 42.059 0.335 0.000 0.919 447 L HN 0.604 nan 8.230 nan 0.000 0.443 448 L N -1.252 119.955 121.223 -0.026 0.000 2.313 448 L HA -0.052 4.288 4.340 0.001 0.000 0.214 448 L C 1.120 177.962 176.870 -0.046 0.000 1.119 448 L CA 0.234 54.968 54.840 -0.177 0.000 0.809 448 L CB -0.248 41.565 42.059 -0.409 0.000 0.933 448 L HN 0.028 nan 8.230 nan 0.000 0.449 449 V N -1.563 118.397 119.914 0.077 0.000 2.966 449 V HA 0.051 4.171 4.120 0.001 0.000 0.378 449 V C 1.103 177.355 176.094 0.263 0.000 1.279 449 V CA -0.032 62.372 62.300 0.174 0.000 1.439 449 V CB -0.374 31.626 31.823 0.296 0.000 1.451 449 V HN 0.409 nan 8.190 nan 0.000 0.570 450 C N 0.393 119.787 119.300 0.157 0.000 2.469 450 C HA 0.149 4.609 4.460 0.001 0.000 0.309 450 C C 0.357 175.384 174.990 0.061 0.000 1.385 450 C CA 0.634 59.728 59.018 0.126 0.000 1.890 450 C CB -0.472 27.311 27.740 0.072 0.000 2.245 450 C HN 0.478 nan 8.230 nan 0.000 0.530 451 P HA -0.092 nan 4.420 nan 0.000 0.216 451 P C -1.659 175.592 177.300 -0.082 0.000 1.150 451 P CA 2.154 65.231 63.100 -0.038 0.000 0.843 451 P CB -1.081 30.590 31.700 -0.049 0.000 0.787 452 P HA -0.137 nan 4.420 nan 0.000 0.217 452 P C 0.945 178.043 177.300 -0.337 0.000 1.150 452 P CA 1.448 64.381 63.100 -0.279 0.000 0.832 452 P CB -0.488 30.953 31.700 -0.432 0.000 0.787 453 Y N -2.405 117.874 120.300 -0.036 0.000 2.457 453 Y HA 0.193 4.744 4.550 0.001 0.000 0.263 453 Y C 0.581 176.425 175.900 -0.093 0.000 1.164 453 Y CA -0.373 57.684 58.100 -0.071 0.000 1.274 453 Y CB -0.940 37.453 38.460 -0.112 0.000 1.097 453 Y HN -0.120 nan 8.280 nan 0.000 0.523 454 N N 1.220 119.932 118.700 0.020 0.000 2.650 454 N HA -0.210 4.530 4.740 0.001 0.000 0.272 454 N C -1.032 174.442 175.510 -0.060 0.000 1.058 454 N CA 0.685 53.718 53.050 -0.027 0.000 0.765 454 N CB -0.690 37.776 38.487 -0.034 0.000 0.902 454 N HN 0.367 nan 8.380 nan 0.000 0.551 455 A N 1.635 124.389 122.820 -0.110 0.000 2.332 455 A HA 0.511 4.831 4.320 0.001 0.000 0.300 455 A C -0.375 176.951 177.584 -0.429 0.000 1.153 455 A CA -0.490 51.395 52.037 -0.253 0.000 0.764 455 A CB 0.765 19.584 19.000 -0.300 0.000 1.174 455 A HN 0.555 nan 8.150 nan 0.000 0.467 456 D N 0.248 120.436 120.400 -0.352 0.000 2.387 456 D HA 0.458 5.098 4.640 0.001 0.000 0.251 456 D C -0.794 175.192 176.300 -0.524 0.000 1.141 456 D CA -0.637 53.153 54.000 -0.351 0.000 0.987 456 D CB 0.299 41.025 40.800 -0.123 0.000 1.116 456 D HN 0.255 nan 8.370 nan 0.000 0.491 457 F N -0.006 119.950 119.950 0.010 0.000 2.334 457 F HA 0.220 4.748 4.527 0.001 0.000 0.343 457 F C 0.236 176.035 175.800 -0.002 0.000 1.136 457 F CA -0.600 57.404 58.000 0.006 0.000 1.237 457 F CB 0.534 39.542 39.000 0.012 0.000 1.525 457 F HN 0.306 nan 8.300 nan 0.000 0.528 458 D N -0.111 120.342 120.400 0.089 0.000 2.602 458 D HA 0.238 4.878 4.640 0.001 0.000 0.265 458 D C 0.906 177.222 176.300 0.026 0.000 1.454 458 D CA -0.046 53.986 54.000 0.054 0.000 0.795 458 D CB 0.599 41.416 40.800 0.027 0.000 1.140 458 D HN 0.476 nan 8.370 nan 0.000 0.486 459 G N 0.748 109.565 108.800 0.028 0.000 2.245 459 G HA2 -0.098 3.862 3.960 0.001 0.000 0.116 459 G HA3 -0.098 3.862 3.960 0.001 0.000 0.116 459 G C -1.018 173.877 174.900 -0.009 0.000 1.054 459 G CA -0.675 44.430 45.100 0.008 0.000 0.728 459 G HN 0.219 nan 8.290 nan 0.000 0.483 460 D N 0.624 121.015 120.400 -0.015 0.000 2.253 460 D HA 0.616 5.256 4.640 0.001 0.000 0.249 460 D C 0.398 176.685 176.300 -0.021 0.000 1.049 460 D CA 0.245 54.219 54.000 -0.043 0.000 0.929 460 D CB 1.046 41.782 40.800 -0.108 0.000 1.176 460 D HN 0.380 nan 8.370 nan 0.000 0.437 461 E N 0.914 121.097 120.200 -0.029 0.000 2.293 461 E HA 0.519 4.870 4.350 0.001 0.000 0.270 461 E C -0.682 175.910 176.600 -0.013 0.000 0.879 461 E CA -0.716 55.679 56.400 -0.008 0.000 0.756 461 E CB 2.346 32.040 29.700 -0.010 0.000 1.208 461 E HN 0.276 nan 8.360 nan 0.000 0.428 462 M N 1.547 121.175 119.600 0.046 0.000 2.662 462 M HA 0.416 4.896 4.480 0.001 0.000 0.310 462 M C -0.863 175.528 176.300 0.152 0.000 1.204 462 M CA -1.075 54.202 55.300 -0.040 0.000 0.891 462 M CB 1.881 34.234 32.600 -0.413 0.000 1.732 462 M HN 0.349 nan 8.290 nan 0.000 0.467 463 N N 1.605 120.336 118.700 0.051 0.000 2.487 463 N HA 0.517 5.257 4.740 0.001 0.000 0.292 463 N C -1.509 174.100 175.510 0.164 0.000 1.108 463 N CA -0.476 52.650 53.050 0.126 0.000 0.956 463 N CB 1.427 39.985 38.487 0.117 0.000 1.176 463 N HN 0.412 nan 8.380 nan 0.000 0.484 464 L N 3.050 124.310 121.223 0.061 0.000 2.462 464 L HA 0.320 4.660 4.340 0.001 0.000 0.255 464 L C -1.023 175.816 176.870 -0.051 0.000 1.076 464 L CA -0.469 54.361 54.840 -0.016 0.000 0.920 464 L CB -0.537 41.365 42.059 -0.262 0.000 1.214 464 L HN 0.658 nan 8.230 nan 0.000 0.472 465 H N 1.657 120.779 119.070 0.087 0.000 2.511 465 H HA 0.476 5.033 4.556 0.001 0.000 0.346 465 H C -0.162 175.209 175.328 0.072 0.000 1.128 465 H CA -0.147 55.958 56.048 0.096 0.000 1.342 465 H CB 1.708 31.527 29.762 0.094 0.000 1.470 465 H HN 0.211 nan 8.280 nan 0.000 0.546 466 V N 5.648 125.680 119.914 0.198 0.000 2.325 466 V HA 0.218 4.339 4.120 0.001 0.000 0.280 466 V C -2.151 173.977 176.094 0.058 0.000 1.016 466 V CA -1.831 60.529 62.300 0.101 0.000 0.818 466 V CB 0.923 32.788 31.823 0.071 0.000 1.019 466 V HN 0.730 nan 8.190 nan 0.000 0.434 467 P HA 0.115 nan 4.420 nan 0.000 0.266 467 P C -0.074 177.181 177.300 -0.076 0.000 1.195 467 P CA 0.133 63.234 63.100 0.002 0.000 0.768 467 P CB 1.268 32.976 31.700 0.013 0.000 0.838 468 Q N 0.967 120.703 119.800 -0.106 0.000 2.389 468 Q HA 0.040 4.381 4.340 0.001 0.000 0.201 468 Q C 0.937 176.878 176.000 -0.098 0.000 0.956 468 Q CA 0.766 56.464 55.803 -0.175 0.000 0.871 468 Q CB -0.960 27.630 28.738 -0.247 0.000 0.990 468 Q HN 0.650 nan 8.270 nan 0.000 0.554 469 S N 1.958 117.623 115.700 -0.059 0.000 2.573 469 S HA 0.019 4.489 4.470 0.001 0.000 0.277 469 S C 1.114 175.701 174.600 -0.021 0.000 1.346 469 S CA -0.352 57.827 58.200 -0.034 0.000 1.034 469 S CB 0.845 64.034 63.200 -0.019 0.000 0.879 469 S HN 0.149 nan 8.310 nan 0.000 0.528 470 E N 2.145 122.339 120.200 -0.010 0.000 2.110 470 E HA -0.205 4.146 4.350 0.001 0.000 0.193 470 E C 1.691 178.295 176.600 0.006 0.000 0.988 470 E CA 1.472 57.873 56.400 0.003 0.000 0.804 470 E CB -0.468 29.241 29.700 0.015 0.000 0.745 470 E HN 0.870 nan 8.360 nan 0.000 0.458 471 E N 1.145 121.347 120.200 0.003 0.000 2.051 471 E HA -0.131 4.220 4.350 0.001 0.000 0.192 471 E C 2.168 178.769 176.600 0.002 0.000 0.991 471 E CA 1.096 57.499 56.400 0.004 0.000 0.799 471 E CB -0.165 29.536 29.700 0.002 0.000 0.748 471 E HN 0.271 nan 8.360 nan 0.000 0.449 472 A N 1.243 124.062 122.820 -0.002 0.000 1.902 472 A HA -0.183 4.138 4.320 0.001 0.000 0.217 472 A C 2.189 179.774 177.584 0.003 0.000 1.181 472 A CA 1.181 53.218 52.037 -0.001 0.000 0.623 472 A CB -0.642 18.357 19.000 -0.003 0.000 0.818 472 A HN 0.137 nan 8.150 nan 0.000 0.443 473 I N -0.264 120.306 120.570 0.001 0.000 2.179 473 I HA -0.276 3.895 4.170 0.001 0.000 0.242 473 I C 2.952 179.077 176.117 0.013 0.000 1.088 473 I CA 1.211 62.515 61.300 0.006 0.000 1.357 473 I CB -0.370 37.631 38.000 0.002 0.000 1.051 473 I HN 0.341 nan 8.210 nan 0.000 0.409 474 A N -0.091 122.736 122.820 0.012 0.000 1.930 474 A HA -0.215 4.106 4.320 0.001 0.000 0.217 474 A C 2.287 179.877 177.584 0.011 0.000 1.175 474 A CA 1.543 53.589 52.037 0.015 0.000 0.627 474 A CB -0.545 18.464 19.000 0.016 0.000 0.815 474 A HN 0.443 nan 8.150 nan 0.000 0.443 475 E N -0.407 119.797 120.200 0.006 0.000 2.150 475 E HA -0.013 4.338 4.350 0.001 0.000 0.193 475 E C 1.465 178.066 176.600 0.002 0.000 0.985 475 E CA 0.638 57.039 56.400 0.001 0.000 0.814 475 E CB -0.113 29.585 29.700 -0.003 0.000 0.752 475 E HN 0.543 nan 8.360 nan 0.000 0.466 476 A N 0.389 123.214 122.820 0.008 0.000 2.412 476 A HA 0.060 4.380 4.320 0.001 0.000 0.253 476 A C 1.390 178.985 177.584 0.019 0.000 1.334 476 A CA 0.122 52.168 52.037 0.014 0.000 0.929 476 A CB -0.029 18.985 19.000 0.023 0.000 0.983 476 A HN 0.034 nan 8.150 nan 0.000 0.508 477 K N -1.586 118.823 120.400 0.015 0.000 2.550 477 K HA 0.115 4.436 4.320 0.001 0.000 0.205 477 K C 1.143 177.754 176.600 0.017 0.000 1.429 477 K CA 0.320 56.620 56.287 0.023 0.000 0.997 477 K CB 0.452 32.970 32.500 0.030 0.000 1.328 477 K HN 0.204 nan 8.250 nan 0.000 0.546 478 E N 0.612 120.818 120.200 0.009 0.000 2.230 478 E HA 0.079 4.429 4.350 0.001 0.000 0.192 478 E C 1.306 177.899 176.600 -0.012 0.000 0.987 478 E CA 0.870 57.272 56.400 0.003 0.000 0.841 478 E CB 0.360 30.061 29.700 0.003 0.000 0.783 478 E HN 0.346 nan 8.360 nan 0.000 0.481 479 I N -1.408 119.154 120.570 -0.014 0.000 3.939 479 I HA 0.138 4.309 4.170 0.001 0.000 0.313 479 I C 1.539 177.640 176.117 -0.027 0.000 1.274 479 I CA 0.357 61.645 61.300 -0.020 0.000 1.301 479 I CB 0.295 38.283 38.000 -0.020 0.000 1.105 479 I HN -0.023 nan 8.210 nan 0.000 0.427 480 M N 0.182 119.768 119.600 -0.024 0.000 2.279 480 M HA 0.295 4.776 4.480 0.001 0.000 0.306 480 M C 0.281 176.563 176.300 -0.030 0.000 0.965 480 M CA -0.120 55.168 55.300 -0.020 0.000 1.038 480 M CB 1.226 33.828 32.600 0.004 0.000 1.636 480 M HN 0.037 nan 8.290 nan 0.000 0.574 481 L N 0.640 121.837 121.223 -0.045 0.000 2.514 481 L HA -0.053 4.287 4.340 0.001 0.000 0.280 481 L C 1.526 178.332 176.870 -0.107 0.000 1.223 481 L CA -0.344 54.467 54.840 -0.048 0.000 0.864 481 L CB 0.829 42.897 42.059 0.015 0.000 1.118 481 L HN 0.011 nan 8.230 nan 0.000 0.494 482 V N 2.293 122.147 119.914 -0.100 0.000 2.255 482 V HA -0.322 3.799 4.120 0.001 0.000 0.247 482 V C 2.193 178.251 176.094 -0.060 0.000 1.051 482 V CA 2.445 64.687 62.300 -0.097 0.000 1.018 482 V CB -1.007 30.720 31.823 -0.159 0.000 0.641 482 V HN 1.075 nan 8.190 nan 0.000 0.445 483 H N 0.054 119.096 119.070 -0.046 0.000 2.518 483 H HA -0.100 4.456 4.556 0.001 0.000 0.289 483 H C 1.984 177.318 175.328 0.009 0.000 1.051 483 H CA 1.839 57.879 56.048 -0.013 0.000 1.280 483 H CB -0.220 29.544 29.762 0.004 0.000 1.380 483 H HN 0.348 nan 8.280 nan 0.000 0.566 484 K N -0.026 119.967 120.400 -0.678 0.000 2.393 484 K HA 0.096 4.416 4.320 0.001 0.000 0.193 484 K C 0.203 176.695 176.600 -0.180 0.000 1.026 484 K CA 0.134 56.126 56.287 -0.490 0.000 1.064 484 K CB 0.404 32.605 32.500 -0.499 0.000 0.833 484 K HN 0.426 nan 8.250 nan 0.000 0.521 485 N N 0.809 119.426 118.700 -0.138 0.000 2.480 485 N HA 0.130 4.870 4.740 0.001 0.000 0.281 485 N C 0.636 176.097 175.510 -0.083 0.000 1.381 485 N CA 0.063 53.064 53.050 -0.082 0.000 0.903 485 N CB 0.716 39.154 38.487 -0.081 0.000 1.274 485 N HN 0.093 nan 8.380 nan 0.000 0.505 486 I N 0.888 121.416 120.570 -0.069 0.000 2.315 486 I HA -0.087 4.084 4.170 0.001 0.000 0.248 486 I C 1.187 177.228 176.117 -0.126 0.000 1.117 486 I CA 0.942 62.195 61.300 -0.078 0.000 1.404 486 I CB 0.020 37.997 38.000 -0.038 0.000 1.071 486 I HN 0.164 nan 8.210 nan 0.000 0.419 487 I N -0.626 119.873 120.570 -0.119 0.000 2.474 487 I HA 0.187 4.357 4.170 0.001 0.000 0.287 487 I C 0.020 175.980 176.117 -0.260 0.000 1.048 487 I CA -0.284 60.893 61.300 -0.204 0.000 1.383 487 I CB 0.505 38.426 38.000 -0.133 0.000 1.412 487 I HN -0.170 nan 8.210 nan 0.000 0.531 488 T N 7.520 121.815 114.554 -0.432 0.000 2.851 488 T HA 0.170 4.521 4.350 0.001 0.000 0.298 488 T C -1.594 172.845 174.700 -0.435 0.000 0.977 488 T CA -0.630 61.180 62.100 -0.483 0.000 1.126 488 T CB 1.172 69.466 68.868 -0.957 0.000 0.916 488 T HN 0.558 nan 8.240 nan 0.000 0.529 489 P HA -0.001 nan 4.420 nan 0.000 0.221 489 P C 1.532 178.645 177.300 -0.312 0.000 1.150 489 P CA 0.424 63.304 63.100 -0.367 0.000 0.800 489 P CB 0.213 31.792 31.700 -0.202 0.000 0.787 490 R N -0.336 120.085 120.500 -0.131 0.000 2.115 490 R HA -0.070 4.271 4.340 0.001 0.000 0.226 490 R C 0.029 176.321 176.300 -0.012 0.000 1.100 490 R CA 1.183 57.272 56.100 -0.018 0.000 0.980 490 R CB 0.019 30.367 30.300 0.080 0.000 0.875 490 R HN 0.263 nan 8.270 nan 0.000 0.445 491 Y N -4.625 115.560 120.300 -0.191 0.000 2.558 491 Y HA 0.476 5.027 4.550 0.001 0.000 0.333 491 Y C -0.361 175.345 175.900 -0.323 0.000 1.125 491 Y CA -1.228 56.726 58.100 -0.242 0.000 1.039 491 Y CB 0.625 38.965 38.460 -0.200 0.000 1.331 491 Y HN -0.054 nan 8.280 nan 0.000 0.456 492 G N 1.116 109.749 108.800 -0.279 0.000 2.734 492 G HA2 0.463 4.423 3.960 0.001 0.000 0.287 492 G HA3 0.463 4.423 3.960 0.001 0.000 0.287 492 G C -0.092 174.589 174.900 -0.365 0.000 0.728 492 G CA 0.334 45.256 45.100 -0.297 0.000 1.999 492 G HN 1.256 nan 8.290 nan 0.000 0.535 493 G N 2.110 110.594 108.800 -0.526 0.000 2.720 493 G HA2 0.682 4.642 3.960 0.001 0.000 0.295 493 G HA3 0.682 4.642 3.960 0.001 0.000 0.295 493 G C -3.371 171.215 174.900 -0.523 0.000 1.437 493 G CA -1.093 43.688 45.100 -0.530 0.000 0.886 493 G HN 0.140 nan 8.290 nan 0.000 0.509 494 P HA 0.282 nan 4.420 nan 0.000 0.287 494 P C 0.645 177.834 177.300 -0.184 0.000 1.294 494 P CA -0.420 62.513 63.100 -0.279 0.000 0.776 494 P CB 2.082 33.655 31.700 -0.212 0.000 0.889 495 I N 3.366 123.818 120.570 -0.196 0.000 3.059 495 I HA 0.095 4.265 4.170 0.001 0.000 0.270 495 I C 0.502 176.547 176.117 -0.119 0.000 1.238 495 I CA 0.268 61.481 61.300 -0.146 0.000 1.478 495 I CB 0.286 38.177 38.000 -0.182 0.000 1.097 495 I HN 0.209 nan 8.210 nan 0.000 0.455 496 I N 1.516 122.011 120.570 -0.126 0.000 2.307 496 I HA 0.451 4.621 4.170 0.001 0.000 0.289 496 I C 0.405 176.424 176.117 -0.164 0.000 1.021 496 I CA -0.258 60.967 61.300 -0.125 0.000 1.224 496 I CB 0.877 38.813 38.000 -0.107 0.000 1.376 496 I HN 0.088 nan 8.210 nan 0.000 0.470 497 G N 3.945 112.631 108.800 -0.191 0.000 2.682 497 G HA2 0.703 4.663 3.960 0.001 0.000 0.303 497 G HA3 0.703 4.663 3.960 0.001 0.000 0.303 497 G C -1.557 173.159 174.900 -0.306 0.000 1.341 497 G CA -0.686 44.272 45.100 -0.237 0.000 0.784 497 G HN 0.647 nan 8.290 nan 0.000 0.497 498 A N -0.455 122.211 122.820 -0.257 0.000 2.409 498 A HA 0.668 4.988 4.320 0.001 0.000 0.262 498 A C 1.267 178.870 177.584 0.030 0.000 1.113 498 A CA 0.860 52.777 52.037 -0.200 0.000 0.790 498 A CB 0.652 19.704 19.000 0.085 0.000 1.046 498 A HN 1.839 nan 8.150 nan 0.000 0.496 499 A N 1.839 124.758 122.820 0.165 0.000 1.838 499 A HA 0.081 4.401 4.320 0.001 0.000 0.215 499 A C 1.756 179.433 177.584 0.155 0.000 1.273 499 A CA 1.654 53.790 52.037 0.166 0.000 0.602 499 A CB -0.369 18.758 19.000 0.210 0.000 0.934 499 A HN 0.980 nan 8.150 nan 0.000 0.461 500 Q N -3.465 116.446 119.800 0.186 0.000 2.497 500 Q HA 0.081 4.421 4.340 0.001 0.000 0.201 500 Q C 0.871 176.884 176.000 0.022 0.000 0.724 500 Q CA 0.469 56.322 55.803 0.083 0.000 0.923 500 Q CB -0.155 28.619 28.738 0.060 0.000 1.302 500 Q HN 0.284 nan 8.270 nan 0.000 0.484 501 D N 0.798 121.179 120.400 -0.031 0.000 2.178 501 D HA -0.048 4.593 4.640 0.001 0.000 0.202 501 D C 1.334 177.549 176.300 -0.142 0.000 0.974 501 D CA 1.208 55.115 54.000 -0.154 0.000 0.841 501 D CB -0.035 40.619 40.800 -0.244 0.000 0.953 501 D HN 0.280 nan 8.370 nan 0.000 0.478 502 Y N 0.654 121.005 120.300 0.083 0.000 2.084 502 Y HA -0.114 4.436 4.550 0.001 0.000 0.279 502 Y C 2.459 178.359 175.900 -0.001 0.000 1.119 502 Y CA 0.416 58.620 58.100 0.174 0.000 1.101 502 Y CB -0.609 38.054 38.460 0.339 0.000 0.989 502 Y HN -0.110 nan 8.280 nan 0.000 0.484 503 I N -0.330 120.354 120.570 0.191 0.000 2.147 503 I HA -0.432 3.738 4.170 0.001 0.000 0.245 503 I C 2.568 178.654 176.117 -0.051 0.000 1.059 503 I CA 2.226 63.545 61.300 0.031 0.000 1.320 503 I CB -1.572 36.450 38.000 0.038 0.000 1.021 503 I HN 0.277 nan 8.210 nan 0.000 0.415 504 S N 0.467 116.103 115.700 -0.106 0.000 2.355 504 S HA -0.080 4.391 4.470 0.001 0.000 0.222 504 S C 2.076 176.587 174.600 -0.148 0.000 1.031 504 S CA 1.506 59.563 58.200 -0.239 0.000 0.993 504 S CB -0.519 62.349 63.200 -0.554 0.000 0.859 504 S HN 0.570 nan 8.310 nan 0.000 0.453 505 G N 0.318 109.056 108.800 -0.105 0.000 2.421 505 G HA2 0.086 4.047 3.960 0.001 0.000 0.217 505 G HA3 0.086 4.047 3.960 0.001 0.000 0.217 505 G C 1.549 176.450 174.900 0.002 0.000 1.143 505 G CA 0.743 45.872 45.100 0.049 0.000 0.784 505 G HN 0.632 nan 8.290 nan 0.000 0.541 506 A N -0.202 122.438 122.820 -0.299 0.000 2.067 506 A HA 0.056 4.376 4.320 0.001 0.000 0.219 506 A C 2.053 179.498 177.584 -0.230 0.000 1.158 506 A CA 1.421 53.039 52.037 -0.699 0.000 0.661 506 A CB -0.464 17.736 19.000 -1.334 0.000 0.801 506 A HN 0.516 nan 8.150 nan 0.000 0.452 507 Y N 0.225 120.431 120.300 -0.156 0.000 2.206 507 Y HA -0.003 4.547 4.550 0.001 0.000 0.292 507 Y C 1.763 177.673 175.900 0.018 0.000 1.123 507 Y CA 1.542 59.618 58.100 -0.040 0.000 1.142 507 Y CB -0.213 38.234 38.460 -0.021 0.000 1.006 507 Y HN 0.169 nan 8.280 nan 0.000 0.518 508 L N -0.252 121.070 121.223 0.164 0.000 2.265 508 L HA -0.179 4.162 4.340 0.001 0.000 0.215 508 L C 2.059 179.011 176.870 0.136 0.000 1.117 508 L CA 0.663 55.642 54.840 0.231 0.000 0.782 508 L CB -0.402 41.921 42.059 0.440 0.000 0.914 508 L HN 0.351 nan 8.230 nan 0.000 0.441 509 L N -0.574 120.574 121.223 -0.125 0.000 2.121 509 L HA -0.053 4.287 4.340 0.001 0.000 0.200 509 L C 2.490 179.168 176.870 -0.320 0.000 1.077 509 L CA 1.904 56.463 54.840 -0.468 0.000 0.766 509 L CB -0.500 41.243 42.059 -0.527 0.000 0.931 509 L HN 0.267 nan 8.230 nan 0.000 0.452 510 T N -1.754 112.634 114.554 -0.277 0.000 3.215 510 T HA 0.141 4.491 4.350 0.001 0.000 0.254 510 T C 0.564 175.155 174.700 -0.181 0.000 1.149 510 T CA 0.285 62.243 62.100 -0.236 0.000 1.042 510 T CB -1.576 67.128 68.868 -0.273 0.000 0.966 510 T HN 0.141 nan 8.240 nan 0.000 0.534 511 V N -0.192 119.584 119.914 -0.229 0.000 3.051 511 V HA 0.314 4.434 4.120 0.001 0.000 0.306 511 V C 1.432 177.468 176.094 -0.097 0.000 1.083 511 V CA -1.068 61.120 62.300 -0.188 0.000 1.104 511 V CB 0.574 32.245 31.823 -0.253 0.000 1.027 511 V HN 0.175 nan 8.190 nan 0.000 0.483 512 K N 0.984 121.353 120.400 -0.051 0.000 2.103 512 K HA -0.067 4.253 4.320 0.001 0.000 0.207 512 K C 1.073 177.645 176.600 -0.046 0.000 1.048 512 K CA 1.741 58.007 56.287 -0.035 0.000 0.930 512 K CB -0.490 32.000 32.500 -0.016 0.000 0.716 512 K HN 0.835 nan 8.250 nan 0.000 0.444 513 T N 2.127 116.653 114.554 -0.047 0.000 4.058 513 T HA 0.109 4.459 4.350 0.001 0.000 0.252 513 T C -0.512 174.171 174.700 -0.029 0.000 1.264 513 T CA 0.061 62.132 62.100 -0.048 0.000 1.094 513 T CB -0.032 68.805 68.868 -0.050 0.000 1.316 513 T HN 0.010 nan 8.240 nan 0.000 0.872 514 T N 2.761 117.293 114.554 -0.037 0.000 3.143 514 T HA 0.486 4.836 4.350 0.001 0.000 0.312 514 T C -1.106 173.583 174.700 -0.017 0.000 0.986 514 T CA -0.594 61.505 62.100 -0.002 0.000 1.024 514 T CB 1.143 69.998 68.868 -0.021 0.000 1.030 514 T HN 0.076 nan 8.240 nan 0.000 0.448 515 L N 3.782 124.996 121.223 -0.014 0.000 2.381 515 L HA 0.667 5.007 4.340 0.001 0.000 0.274 515 L C -1.061 175.929 176.870 0.200 0.000 0.988 515 L CA -0.528 54.303 54.840 -0.015 0.000 0.824 515 L CB 1.646 43.451 42.059 -0.424 0.000 1.263 515 L HN 0.491 nan 8.230 nan 0.000 0.410 516 L N 2.340 123.775 121.223 0.353 0.000 2.307 516 L HA 0.609 4.949 4.340 0.001 0.000 0.284 516 L C 0.478 177.620 176.870 0.454 0.000 1.023 516 L CA -0.115 54.952 54.840 0.379 0.000 0.810 516 L CB 1.804 44.023 42.059 0.268 0.000 1.231 516 L HN 0.561 nan 8.230 nan 0.000 0.423 517 T N 1.225 115.977 114.554 0.329 0.000 2.900 517 T HA 0.065 4.415 4.350 0.001 0.000 0.307 517 T C 1.271 176.082 174.700 0.185 0.000 1.065 517 T CA -0.475 61.713 62.100 0.147 0.000 1.105 517 T CB 0.562 69.490 68.868 0.099 0.000 0.979 517 T HN 0.482 nan 8.240 nan 0.000 0.544 518 K N 0.929 121.425 120.400 0.160 0.000 2.362 518 K HA -0.148 4.172 4.320 0.001 0.000 0.202 518 K C 1.878 178.527 176.600 0.082 0.000 1.045 518 K CA 1.342 57.751 56.287 0.204 0.000 0.936 518 K CB 0.095 32.694 32.500 0.166 0.000 0.747 518 K HN 0.628 nan 8.250 nan 0.000 0.467 519 E N 0.046 120.287 120.200 0.068 0.000 2.290 519 E HA -0.036 4.314 4.350 0.001 0.000 0.197 519 E C 1.547 178.184 176.600 0.061 0.000 0.948 519 E CA 0.168 56.597 56.400 0.048 0.000 0.895 519 E CB 0.310 30.034 29.700 0.041 0.000 0.865 519 E HN 0.301 nan 8.360 nan 0.000 0.486 520 E N 1.172 121.429 120.200 0.095 0.000 2.072 520 E HA -0.149 4.201 4.350 0.001 0.000 0.191 520 E C 2.058 178.725 176.600 0.112 0.000 0.985 520 E CA 0.879 57.354 56.400 0.125 0.000 0.801 520 E CB -0.019 29.792 29.700 0.184 0.000 0.750 520 E HN 0.153 nan 8.360 nan 0.000 0.452 521 A N 1.446 124.311 122.820 0.074 0.000 1.835 521 A HA -0.255 4.065 4.320 0.001 0.000 0.215 521 A C 2.068 179.629 177.584 -0.039 0.000 1.199 521 A CA 1.477 53.505 52.037 -0.015 0.000 0.615 521 A CB -0.622 18.264 19.000 -0.190 0.000 0.838 521 A HN 0.163 nan 8.150 nan 0.000 0.444 522 Q N -1.041 118.724 119.800 -0.059 0.000 2.234 522 Q HA -0.248 4.093 4.340 0.001 0.000 0.206 522 Q C 2.212 178.210 176.000 -0.003 0.000 0.980 522 Q CA 1.531 57.307 55.803 -0.046 0.000 0.869 522 Q CB -0.159 28.553 28.738 -0.044 0.000 0.912 522 Q HN 0.814 nan 8.270 nan 0.000 0.436 523 Q N 0.394 120.207 119.800 0.021 0.000 2.226 523 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 523 Q C 1.776 177.804 176.000 0.047 0.000 0.975 523 Q CA 0.923 56.748 55.803 0.036 0.000 0.866 523 Q CB 0.140 28.907 28.738 0.049 0.000 0.915 523 Q HN 0.427 nan 8.270 nan 0.000 0.440 524 I N -0.349 120.256 120.570 0.058 0.000 2.206 524 I HA -0.216 3.955 4.170 0.001 0.000 0.239 524 I C 1.596 177.741 176.117 0.046 0.000 1.078 524 I CA 0.387 61.729 61.300 0.070 0.000 1.367 524 I CB -0.186 37.874 38.000 0.099 0.000 1.078 524 I HN 0.216 nan 8.210 nan 0.000 0.413 525 L N 1.196 122.440 121.223 0.036 0.000 2.447 525 L HA -0.132 4.209 4.340 0.001 0.000 0.225 525 L C 2.524 179.415 176.870 0.036 0.000 1.148 525 L CA 1.689 56.557 54.840 0.046 0.000 0.808 525 L CB -2.209 39.855 42.059 0.008 0.000 0.928 525 L HN 0.328 nan 8.230 nan 0.000 0.448 526 G N -0.446 108.369 108.800 0.025 0.000 2.422 526 G HA2 -0.148 3.813 3.960 0.001 0.000 0.218 526 G HA3 -0.148 3.813 3.960 0.001 0.000 0.218 526 G C 1.577 176.493 174.900 0.026 0.000 1.146 526 G CA 0.912 46.026 45.100 0.022 0.000 0.769 526 G HN 0.347 nan 8.290 nan 0.000 0.547 527 V N 0.656 120.586 119.914 0.027 0.000 3.041 527 V HA 0.327 4.448 4.120 0.001 0.000 0.260 527 V C 1.668 177.771 176.094 0.015 0.000 1.105 527 V CA 0.529 62.840 62.300 0.020 0.000 1.125 527 V CB -0.905 30.928 31.823 0.016 0.000 0.730 527 V HN 0.481 nan 8.190 nan 0.000 0.479 528 A N 0.474 123.313 122.820 0.031 0.000 2.304 528 A HA 0.445 4.766 4.320 0.001 0.000 0.301 528 A C -0.123 177.506 177.584 0.074 0.000 1.132 528 A CA -0.318 51.744 52.037 0.042 0.000 0.819 528 A CB 0.420 19.511 19.000 0.152 0.000 1.094 528 A HN 0.255 nan 8.150 nan 0.000 0.492 529 D N 1.408 121.870 120.400 0.103 0.000 2.508 529 D HA 0.343 4.984 4.640 0.001 0.000 0.224 529 D C -0.465 176.017 176.300 0.303 0.000 1.171 529 D CA 0.331 54.455 54.000 0.207 0.000 1.006 529 D CB -0.362 40.612 40.800 0.291 0.000 1.073 529 D HN 0.446 nan 8.370 nan 0.000 0.513 530 V N 0.576 120.578 119.914 0.147 0.000 2.623 530 V HA 0.460 4.581 4.120 0.001 0.000 0.304 530 V C 0.250 176.348 176.094 0.007 0.000 1.054 530 V CA -0.978 61.367 62.300 0.076 0.000 0.882 530 V CB 1.974 33.780 31.823 -0.028 0.000 1.002 530 V HN 0.104 nan 8.190 nan 0.000 0.424 531 K N 3.786 124.172 120.400 -0.022 0.000 2.994 531 K HA 0.432 4.753 4.320 0.001 0.000 0.231 531 K C -0.344 176.222 176.600 -0.057 0.000 1.174 531 K CA -0.147 56.118 56.287 -0.037 0.000 1.221 531 K CB 0.165 32.640 32.500 -0.042 0.000 1.166 531 K HN 0.874 nan 8.250 nan 0.000 0.453 532 I N -2.084 118.443 120.570 -0.071 0.000 2.648 532 I HA 0.390 4.560 4.170 0.001 0.000 0.304 532 I C -0.444 175.629 176.117 -0.073 0.000 1.009 532 I CA -0.884 60.366 61.300 -0.084 0.000 1.114 532 I CB 1.327 39.251 38.000 -0.127 0.000 1.293 532 I HN -0.066 nan 8.210 nan 0.000 0.449 533 D N 5.200 125.564 120.400 -0.060 0.000 2.374 533 D HA 0.391 5.031 4.640 0.001 0.000 0.239 533 D C -0.960 175.315 176.300 -0.042 0.000 0.991 533 D CA -0.571 53.398 54.000 -0.051 0.000 0.960 533 D CB 1.779 42.565 40.800 -0.024 0.000 1.284 533 D HN 0.399 nan 8.370 nan 0.000 0.512 534 L N 1.133 122.336 121.223 -0.034 0.000 2.264 534 L HA 0.406 4.746 4.340 0.001 0.000 0.287 534 L C 0.914 177.872 176.870 0.148 0.000 1.039 534 L CA -0.407 54.455 54.840 0.037 0.000 0.829 534 L CB 0.561 42.572 42.059 -0.081 0.000 1.211 534 L HN 0.684 nan 8.230 nan 0.000 0.427 535 G N 3.230 112.088 108.800 0.097 0.000 2.508 535 G HA2 0.280 4.240 3.960 0.001 0.000 0.301 535 G HA3 0.280 4.240 3.960 0.001 0.000 0.301 535 G C 0.017 174.968 174.900 0.085 0.000 0.965 535 G CA -0.005 45.141 45.100 0.077 0.000 1.339 535 G HN 0.754 nan 8.290 nan 0.000 0.455 536 E N 1.212 121.463 120.200 0.085 0.000 7.284 536 E HA -0.143 4.208 4.350 0.001 0.000 0.335 536 E C -2.398 174.189 176.600 -0.021 0.000 0.856 536 E CA -0.219 56.192 56.400 0.018 0.000 1.267 536 E CB -0.302 29.397 29.700 -0.001 0.000 0.931 536 E HN 0.480 nan 8.360 nan 0.000 0.275 537 P HA -0.042 nan 4.420 nan 0.000 0.269 537 P C 0.471 177.659 177.300 -0.187 0.000 1.215 537 P CA 0.449 63.260 63.100 -0.483 0.000 0.780 537 P CB 0.831 31.931 31.700 -1.001 0.000 0.898 538 A N 3.368 126.130 122.820 -0.096 0.000 1.978 538 A HA -0.088 4.233 4.320 0.001 0.000 0.220 538 A C 1.230 178.792 177.584 -0.038 0.000 1.170 538 A CA 1.215 53.232 52.037 -0.033 0.000 0.636 538 A CB -0.815 18.188 19.000 0.005 0.000 0.810 538 A HN 0.573 nan 8.150 nan 0.000 0.448 539 I N 0.303 120.843 120.570 -0.050 0.000 2.362 539 I HA 0.211 4.381 4.170 0.001 0.000 0.289 539 I C 0.380 176.468 176.117 -0.049 0.000 0.994 539 I CA -0.625 60.666 61.300 -0.016 0.000 1.158 539 I CB 1.800 39.830 38.000 0.050 0.000 1.315 539 I HN 0.019 nan 8.210 nan 0.000 0.451 540 L N 4.347 125.547 121.223 -0.039 0.000 2.349 540 L HA 0.273 4.614 4.340 0.001 0.000 0.200 540 L C 2.217 179.067 176.870 -0.034 0.000 1.064 540 L CA 1.255 56.061 54.840 -0.056 0.000 0.821 540 L CB -1.441 40.590 42.059 -0.047 0.000 1.027 540 L HN 0.721 nan 8.230 nan 0.000 0.476 541 A N 1.642 124.456 122.820 -0.010 0.000 1.822 541 A HA -0.050 4.270 4.320 0.001 0.000 0.214 541 A C 0.169 177.756 177.584 0.005 0.000 1.245 541 A CA 1.488 53.522 52.037 -0.004 0.000 0.608 541 A CB -2.085 16.916 19.000 0.002 0.000 0.896 541 A HN 0.346 nan 8.150 nan 0.000 0.457 542 P HA -0.054 nan 4.420 nan 0.000 0.216 542 P C 0.299 177.620 177.300 0.036 0.000 1.153 542 P CA 1.112 64.235 63.100 0.038 0.000 0.848 542 P CB 0.085 31.820 31.700 0.059 0.000 0.787 543 R N -1.136 119.397 120.500 0.054 0.000 2.739 543 R HA 0.339 4.680 4.340 0.001 0.000 0.271 543 R C -0.649 175.576 176.300 -0.125 0.000 1.010 543 R CA -0.716 55.347 56.100 -0.061 0.000 0.897 543 R CB 1.764 32.000 30.300 -0.107 0.000 1.236 543 R HN -0.073 nan 8.270 nan 0.000 0.466 544 E N 1.888 121.931 120.200 -0.262 0.000 2.129 544 E HA 0.133 4.483 4.350 0.001 0.000 0.283 544 E C -1.226 175.121 176.600 -0.422 0.000 1.080 544 E CA 0.238 56.472 56.400 -0.276 0.000 0.867 544 E CB 0.571 30.129 29.700 -0.237 0.000 1.056 544 E HN 0.268 nan 8.360 nan 0.000 0.404 545 Y N 1.849 122.037 120.300 -0.187 0.000 2.361 545 Y HA 0.250 4.800 4.550 0.000 0.000 0.337 545 Y C -0.722 175.054 175.900 -0.207 0.000 0.965 545 Y CA -0.892 57.136 58.100 -0.120 0.000 1.091 545 Y CB 1.077 39.515 38.460 -0.036 0.000 1.182 545 Y HN 0.418 nan 8.280 nan 0.000 0.450 546 Y N 1.269 121.675 120.300 0.176 0.000 2.308 546 Y HA 0.363 4.914 4.550 0.001 0.000 0.329 546 Y C 0.883 176.829 175.900 0.076 0.000 1.111 546 Y CA -0.856 57.300 58.100 0.093 0.000 1.179 546 Y CB 1.124 39.619 38.460 0.058 0.000 1.201 546 Y HN 0.551 nan 8.280 nan 0.000 0.483 547 T N -1.608 113.045 114.554 0.166 0.000 2.913 547 T HA 0.287 4.638 4.350 0.001 0.000 0.287 547 T C 1.382 176.090 174.700 0.014 0.000 1.008 547 T CA -0.361 61.777 62.100 0.063 0.000 1.067 547 T CB 1.505 70.385 68.868 0.021 0.000 0.996 547 T HN 0.855 nan 8.240 nan 0.000 0.513 548 G N 0.845 109.599 108.800 -0.076 0.000 2.498 548 G HA2 -0.126 3.835 3.960 0.001 0.000 0.219 548 G HA3 -0.126 3.835 3.960 0.001 0.000 0.219 548 G C 1.419 176.221 174.900 -0.164 0.000 1.119 548 G CA 0.093 45.081 45.100 -0.186 0.000 0.766 548 G HN 0.700 nan 8.290 nan 0.000 0.552 549 K N -0.106 120.228 120.400 -0.111 0.000 2.167 549 K HA 0.004 4.324 4.320 0.001 0.000 0.203 549 K C 2.328 178.893 176.600 -0.058 0.000 1.052 549 K CA 0.663 56.885 56.287 -0.109 0.000 0.956 549 K CB -0.122 32.340 32.500 -0.064 0.000 0.735 549 K HN 0.417 nan 8.250 nan 0.000 0.451 550 Q N 1.055 120.851 119.800 -0.007 0.000 2.046 550 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 550 Q C 2.132 178.152 176.000 0.034 0.000 0.975 550 Q CA 1.300 57.127 55.803 0.040 0.000 0.836 550 Q CB 0.048 28.853 28.738 0.112 0.000 0.896 550 Q HN 0.136 nan 8.270 nan 0.000 0.428 551 V N -0.410 119.512 119.914 0.014 0.000 2.343 551 V HA -0.168 3.952 4.120 0.001 0.000 0.247 551 V C 2.001 178.163 176.094 0.114 0.000 1.051 551 V CA 1.796 64.114 62.300 0.029 0.000 1.036 551 V CB -0.171 31.646 31.823 -0.011 0.000 0.654 551 V HN 0.300 nan 8.190 nan 0.000 0.451 552 V N 0.070 119.986 119.914 0.004 0.000 2.515 552 V HA -0.165 3.955 4.120 0.001 0.000 0.250 552 V C 2.774 178.908 176.094 0.065 0.000 1.058 552 V CA 2.204 64.478 62.300 -0.043 0.000 1.064 552 V CB -0.460 31.188 31.823 -0.293 0.000 0.675 552 V HN 0.678 nan 8.190 nan 0.000 0.461 553 S N 0.259 115.983 115.700 0.040 0.000 2.402 553 S HA -0.042 4.429 4.470 0.001 0.000 0.229 553 S C 1.617 176.276 174.600 0.099 0.000 1.021 553 S CA 0.995 59.236 58.200 0.069 0.000 0.974 553 S CB -0.271 62.954 63.200 0.042 0.000 0.800 553 S HN 0.600 nan 8.310 nan 0.000 0.484 554 A N -0.463 122.413 122.820 0.093 0.000 2.728 554 A HA 0.503 4.823 4.320 0.001 0.000 0.258 554 A C 0.381 177.904 177.584 -0.102 0.000 1.454 554 A CA -0.181 51.853 52.037 -0.006 0.000 1.146 554 A CB -0.816 18.140 19.000 -0.073 0.000 0.985 554 A HN 0.590 nan 8.150 nan 0.000 0.603 555 F N -1.554 118.430 119.950 0.057 0.000 2.839 555 F HA 0.288 4.816 4.527 0.000 0.000 0.355 555 F C 0.437 176.353 175.800 0.193 0.000 0.904 555 F CA -0.193 57.894 58.000 0.144 0.000 1.098 555 F CB 0.339 39.328 39.000 -0.018 0.000 0.982 555 F HN 0.066 nan 8.300 nan 0.000 0.600 556 L N 2.247 123.616 121.223 0.242 0.000 2.375 556 L HA 0.391 4.732 4.340 0.001 0.000 0.271 556 L C -2.316 174.535 176.870 -0.031 0.000 1.107 556 L CA -1.977 52.916 54.840 0.088 0.000 0.806 556 L CB 0.052 42.153 42.059 0.071 0.000 1.146 556 L HN -0.274 nan 8.230 nan 0.000 0.447 557 P HA 0.058 nan 4.420 nan 0.000 0.271 557 P C -0.342 176.910 177.300 -0.080 0.000 1.216 557 P CA -0.330 62.553 63.100 -0.361 0.000 0.771 557 P CB 0.437 31.516 31.700 -1.035 0.000 0.864 558 K N 2.250 122.631 120.400 -0.032 0.000 2.630 558 K HA -0.009 4.312 4.320 0.001 0.000 0.204 558 K C 0.396 177.045 176.600 0.081 0.000 1.024 558 K CA 0.673 56.980 56.287 0.034 0.000 1.157 558 K CB -0.434 32.072 32.500 0.010 0.000 0.899 558 K HN 0.585 nan 8.250 nan 0.000 0.501 559 D N -1.442 119.049 120.400 0.152 0.000 2.582 559 D HA -0.029 4.612 4.640 0.001 0.000 0.246 559 D C -0.388 176.086 176.300 0.290 0.000 1.334 559 D CA -0.604 53.515 54.000 0.199 0.000 0.805 559 D CB -0.553 40.374 40.800 0.212 0.000 1.087 559 D HN -0.067 nan 8.370 nan 0.000 0.499 560 F N 2.140 122.183 119.950 0.155 0.000 2.424 560 F HA 0.406 4.934 4.527 0.001 0.000 0.356 560 F C -0.469 175.420 175.800 0.148 0.000 1.110 560 F CA -0.429 57.697 58.000 0.209 0.000 1.161 560 F CB 0.624 39.739 39.000 0.191 0.000 1.115 560 F HN -0.244 nan 8.300 nan 0.000 0.507 561 N N 6.827 125.320 118.700 -0.345 0.000 2.258 561 N HA 0.433 5.174 4.740 0.001 0.000 0.299 561 N C -1.840 173.496 175.510 -0.289 0.000 1.047 561 N CA -0.388 52.522 53.050 -0.233 0.000 0.814 561 N CB 2.152 40.588 38.487 -0.085 0.000 1.413 561 N HN 0.580 nan 8.380 nan 0.000 0.478 562 F N 1.494 121.230 119.950 -0.356 0.000 2.596 562 F HA 0.388 4.915 4.527 0.001 0.000 0.311 562 F C -1.279 174.336 175.800 -0.309 0.000 1.116 562 F CA -0.430 57.443 58.000 -0.211 0.000 0.957 562 F CB 1.405 40.325 39.000 -0.132 0.000 1.250 562 F HN 0.385 nan 8.300 nan 0.000 0.444 563 H N 3.328 121.996 119.070 -0.669 0.000 2.667 563 H HA 0.758 5.314 4.556 0.001 0.000 0.353 563 H C -0.340 174.430 175.328 -0.931 0.000 1.072 563 H CA -0.893 54.834 56.048 -0.536 0.000 1.214 563 H CB 1.843 31.659 29.762 0.090 0.000 1.600 563 H HN 0.969 nan 8.280 nan 0.000 0.527 564 G N 1.670 109.963 108.800 -0.844 0.000 2.377 564 G HA2 0.100 4.061 3.960 0.001 0.000 0.297 564 G HA3 0.100 4.061 3.960 0.001 0.000 0.297 564 G C -1.582 173.143 174.900 -0.292 0.000 1.547 564 G CA -0.987 43.849 45.100 -0.439 0.000 0.833 564 G HN 0.449 nan 8.290 nan 0.000 0.583 565 Q N 0.197 120.037 119.800 0.066 0.000 2.296 565 Q HA 0.558 4.899 4.340 0.001 0.000 0.262 565 Q C 0.736 176.817 176.000 0.135 0.000 0.981 565 Q CA 0.003 55.911 55.803 0.175 0.000 0.905 565 Q CB 1.684 30.550 28.738 0.214 0.000 1.186 565 Q HN 0.909 nan 8.270 nan 0.000 0.399 566 A N 2.502 125.405 122.820 0.138 0.000 2.366 566 A HA -0.016 4.305 4.320 0.001 0.000 0.250 566 A C 0.969 178.611 177.584 0.096 0.000 1.099 566 A CA -0.224 51.887 52.037 0.123 0.000 0.794 566 A CB 0.224 19.314 19.000 0.151 0.000 1.056 566 A HN 1.001 nan 8.150 nan 0.000 0.499 567 N N -0.252 118.487 118.700 0.066 0.000 2.348 567 N HA -0.144 4.596 4.740 0.001 0.000 0.185 567 N C 1.347 176.868 175.510 0.017 0.000 1.019 567 N CA 1.577 54.644 53.050 0.029 0.000 0.880 567 N CB -0.087 38.401 38.487 0.000 0.000 0.965 567 N HN 0.408 nan 8.380 nan 0.000 0.437 568 V N 0.056 119.998 119.914 0.046 0.000 2.626 568 V HA -0.085 4.036 4.120 0.001 0.000 0.252 568 V C 1.413 177.529 176.094 0.037 0.000 1.067 568 V CA 0.849 63.171 62.300 0.036 0.000 1.081 568 V CB -0.526 31.369 31.823 0.120 0.000 0.686 568 V HN 0.203 nan 8.190 nan 0.000 0.468 569 S N 1.605 117.345 115.700 0.066 0.000 3.455 569 S HA 0.272 4.743 4.470 0.001 0.000 0.288 569 S C 0.197 174.812 174.600 0.026 0.000 1.231 569 S CA 0.237 58.473 58.200 0.060 0.000 1.031 569 S CB -0.933 62.337 63.200 0.117 0.000 1.570 569 S HN 0.791 nan 8.310 nan 0.000 0.519 570 S N 2.386 118.082 115.700 -0.006 0.000 2.550 570 S HA 0.821 5.292 4.470 0.001 0.000 0.270 570 S C 0.508 175.093 174.600 -0.025 0.000 1.145 570 S CA -0.290 57.903 58.200 -0.011 0.000 0.852 570 S CB 0.958 64.151 63.200 -0.011 0.000 1.119 570 S HN 1.384 nan 8.310 nan 0.000 0.465 571 G N 2.480 111.272 108.800 -0.013 0.000 2.591 571 G HA2 -0.242 3.718 3.960 0.001 0.000 0.298 571 G HA3 -0.242 3.718 3.960 0.001 0.000 0.298 571 G C -1.731 173.149 174.900 -0.034 0.000 1.195 571 G CA 0.417 45.512 45.100 -0.008 0.000 0.989 571 G HN 0.809 nan 8.290 nan 0.000 0.551 572 P HA 0.136 nan 4.420 nan 0.000 0.225 572 P C 1.320 178.461 177.300 -0.266 0.000 1.156 572 P CA 1.143 64.207 63.100 -0.060 0.000 0.787 572 P CB -0.003 31.701 31.700 0.008 0.000 0.802 573 R N -0.879 119.433 120.500 -0.312 0.000 2.515 573 R HA 0.309 4.650 4.340 0.001 0.000 0.294 573 R C 0.397 176.513 176.300 -0.308 0.000 1.021 573 R CA -0.399 55.337 56.100 -0.607 0.000 1.081 573 R CB -0.326 29.837 30.300 -0.228 0.000 1.263 573 R HN 0.211 nan 8.270 nan 0.000 0.557 574 L N -0.723 120.389 121.223 -0.186 0.000 2.452 574 L HA 0.050 4.390 4.340 0.001 0.000 0.267 574 L C 0.482 177.347 176.870 -0.008 0.000 1.188 574 L CA 0.040 54.849 54.840 -0.052 0.000 0.821 574 L CB 1.044 43.088 42.059 -0.025 0.000 1.102 574 L HN 0.231 nan 8.230 nan 0.000 0.470 575 c N 0.027 118.660 118.600 0.055 0.000 3.120 575 c HA 0.262 4.833 4.570 0.001 0.000 0.222 575 c C 1.502 175.587 174.090 -0.009 0.000 2.428 575 c CA -0.174 56.198 56.329 0.071 0.000 1.422 575 c CB 0.005 42.618 42.510 0.172 0.000 1.236 575 c HN 1.042 nan 8.230 nan 0.000 0.746 576 K N -0.153 120.241 120.400 -0.009 0.000 3.564 576 K HA -0.212 4.108 4.320 0.001 0.000 0.278 576 K C 0.066 176.389 176.600 -0.462 0.000 1.048 576 K CA 1.587 57.800 56.287 -0.124 0.000 1.109 576 K CB -1.080 31.390 32.500 -0.050 0.000 1.405 576 K HN 0.644 nan 8.250 nan 0.000 0.452 577 N N -0.065 118.336 118.700 -0.498 0.000 2.312 577 N HA 0.144 4.884 4.740 0.001 0.000 0.296 577 N C -0.042 175.156 175.510 -0.520 0.000 1.193 577 N CA -0.265 52.479 53.050 -0.510 0.000 0.773 577 N CB 1.489 39.852 38.487 -0.206 0.000 1.435 577 N HN 0.084 nan 8.380 nan 0.000 0.484 578 E N -0.342 119.682 120.200 -0.293 0.000 2.274 578 E HA -0.096 4.254 4.350 0.001 0.000 0.194 578 E C -0.304 176.328 176.600 0.054 0.000 0.996 578 E CA 0.666 57.077 56.400 0.020 0.000 0.840 578 E CB 0.200 29.965 29.700 0.109 0.000 0.772 578 E HN 0.401 nan 8.360 nan 0.000 0.491 579 D N 0.538 120.938 120.400 -0.000 0.000 2.313 579 D HA 0.138 4.778 4.640 0.001 0.000 0.239 579 D C -1.470 174.853 176.300 0.038 0.000 1.142 579 D CA -0.050 53.965 54.000 0.024 0.000 0.847 579 D CB 0.909 41.714 40.800 0.008 0.000 1.082 579 D HN -0.029 nan 8.370 nan 0.000 0.480 580 c N 5.662 124.306 118.600 0.073 0.000 2.871 580 c HA 0.286 4.856 4.570 0.001 0.000 0.378 580 c C -1.747 172.399 174.090 0.092 0.000 1.052 580 c CA -1.054 55.343 56.329 0.114 0.000 1.250 580 c CB 1.563 44.174 42.510 0.169 0.000 1.689 580 c HN 0.532 nan 8.230 nan 0.000 0.506 581 P HA 0.026 nan 4.420 nan 0.000 0.230 581 P C -0.136 177.029 177.300 -0.226 0.000 1.158 581 P CA 1.157 64.184 63.100 -0.122 0.000 0.769 581 P CB -0.041 31.523 31.700 -0.227 0.000 0.807 582 H N -0.571 118.560 119.070 0.101 0.000 2.469 582 H HA 0.202 4.758 4.556 0.001 0.000 0.342 582 H C -0.511 174.902 175.328 0.142 0.000 1.115 582 H CA -0.770 55.360 56.048 0.137 0.000 1.204 582 H CB 1.190 31.043 29.762 0.152 0.000 1.492 582 H HN -0.176 nan 8.280 nan 0.000 0.499 583 D N 1.501 122.051 120.400 0.249 0.000 2.600 583 D HA 0.034 4.674 4.640 0.001 0.000 0.226 583 D C 0.529 176.963 176.300 0.222 0.000 1.119 583 D CA 0.458 54.572 54.000 0.190 0.000 1.051 583 D CB 0.033 40.903 40.800 0.117 0.000 1.106 583 D HN 0.392 nan 8.370 nan 0.000 0.491 584 S N 1.472 117.322 115.700 0.250 0.000 2.817 584 S HA 0.077 4.548 4.470 0.001 0.000 0.262 584 S C -0.727 174.040 174.600 0.279 0.000 1.051 584 S CA -0.477 57.869 58.200 0.243 0.000 1.185 584 S CB 0.112 63.442 63.200 0.217 0.000 1.152 584 S HN 0.413 nan 8.310 nan 0.000 0.653 585 Y N 2.475 122.865 120.300 0.150 0.000 2.345 585 Y HA 0.568 5.118 4.550 0.001 0.000 0.331 585 Y C -0.661 175.340 175.900 0.168 0.000 0.959 585 Y CA -0.917 57.271 58.100 0.147 0.000 1.204 585 Y CB 0.988 39.525 38.460 0.128 0.000 1.135 585 Y HN -0.124 nan 8.280 nan 0.000 0.477 586 V N 7.228 127.020 119.914 -0.203 0.000 2.427 586 V HA 0.275 4.396 4.120 0.001 0.000 0.268 586 V C -0.353 175.655 176.094 -0.143 0.000 1.046 586 V CA -0.507 61.782 62.300 -0.018 0.000 0.970 586 V CB 0.563 32.499 31.823 0.189 0.000 1.001 586 V HN 0.544 nan 8.190 nan 0.000 0.476 587 V N 7.140 127.052 119.914 -0.004 0.000 2.409 587 V HA 0.507 4.627 4.120 0.001 0.000 0.290 587 V C -0.403 175.683 176.094 -0.013 0.000 1.017 587 V CA -0.341 61.904 62.300 -0.093 0.000 0.841 587 V CB 1.621 33.467 31.823 0.038 0.000 1.003 587 V HN 0.703 nan 8.190 nan 0.000 0.426 588 I N 5.459 126.002 120.570 -0.045 0.000 2.406 588 I HA 0.520 4.690 4.170 0.001 0.000 0.290 588 I C -0.025 176.057 176.117 -0.058 0.000 0.999 588 I CA -0.142 61.194 61.300 0.061 0.000 1.124 588 I CB 1.704 39.873 38.000 0.282 0.000 1.289 588 I HN 0.434 nan 8.210 nan 0.000 0.441 589 K N 5.141 125.520 120.400 -0.036 0.000 2.397 589 K HA 0.416 4.736 4.320 0.001 0.000 0.253 589 K C -0.467 176.087 176.600 -0.076 0.000 0.932 589 K CA -0.892 55.337 56.287 -0.097 0.000 0.795 589 K CB 1.548 33.963 32.500 -0.141 0.000 1.159 589 K HN 0.477 nan 8.250 nan 0.000 0.424 590 N N 1.323 119.963 118.700 -0.100 0.000 2.710 590 N HA -0.219 4.521 4.740 0.001 0.000 0.249 590 N C 0.574 176.109 175.510 0.041 0.000 1.059 590 N CA 1.564 54.584 53.050 -0.050 0.000 0.720 590 N CB -1.230 37.180 38.487 -0.129 0.000 0.983 590 N HN 1.142 nan 8.380 nan 0.000 0.544 591 G N -1.744 107.134 108.800 0.131 0.000 2.143 591 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 591 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 591 G C -0.082 174.891 174.900 0.122 0.000 0.991 591 G CA 0.375 45.578 45.100 0.172 0.000 0.689 591 G HN 0.446 nan 8.290 nan 0.000 0.522 592 I N 0.422 121.045 120.570 0.088 0.000 2.404 592 I HA 0.384 4.555 4.170 0.001 0.000 0.293 592 I C 0.608 176.770 176.117 0.075 0.000 0.992 592 I CA -1.126 60.210 61.300 0.060 0.000 1.149 592 I CB 1.653 39.665 38.000 0.020 0.000 1.315 592 I HN 0.019 nan 8.210 nan 0.000 0.446 593 L N 6.490 127.753 121.223 0.066 0.000 2.389 593 L HA 0.132 4.472 4.340 0.001 0.000 0.265 593 L C 0.961 177.858 176.870 0.044 0.000 1.167 593 L CA -0.303 54.578 54.840 0.069 0.000 1.045 593 L CB 0.327 42.393 42.059 0.012 0.000 1.351 593 L HN 0.511 nan 8.230 nan 0.000 0.419 594 L N 1.641 122.893 121.223 0.049 0.000 2.072 594 L HA 0.135 4.475 4.340 0.001 0.000 0.205 594 L C 0.964 177.868 176.870 0.057 0.000 1.079 594 L CA 1.369 56.234 54.840 0.042 0.000 0.752 594 L CB -0.586 41.494 42.059 0.036 0.000 0.906 594 L HN 0.552 nan 8.230 nan 0.000 0.436 595 E N -2.001 118.248 120.200 0.081 0.000 2.408 595 E HA 0.515 4.865 4.350 0.001 0.000 0.275 595 E C -0.531 176.145 176.600 0.127 0.000 0.935 595 E CA -0.133 56.331 56.400 0.107 0.000 0.775 595 E CB 2.806 32.595 29.700 0.148 0.000 1.277 595 E HN 0.117 nan 8.360 nan 0.000 0.455 596 G N -0.059 108.823 108.800 0.137 0.000 2.690 596 G HA2 -0.115 3.845 3.960 0.001 0.000 0.686 596 G HA3 -0.115 3.845 3.960 0.001 0.000 0.686 596 G C -1.370 173.633 174.900 0.171 0.000 1.277 596 G CA -0.435 44.764 45.100 0.165 0.000 0.799 596 G HN 0.415 nan 8.290 nan 0.000 0.613 597 V N 1.574 121.607 119.914 0.198 0.000 2.715 597 V HA 0.810 4.930 4.120 0.001 0.000 0.310 597 V C 0.179 176.488 176.094 0.359 0.000 1.054 597 V CA -1.098 61.317 62.300 0.190 0.000 0.928 597 V CB 1.622 33.491 31.823 0.077 0.000 1.007 597 V HN 0.742 nan 8.190 nan 0.000 0.437 598 F N 5.269 125.210 119.950 -0.015 0.000 2.396 598 F HA 0.491 5.019 4.527 0.001 0.000 0.343 598 F C 0.449 176.238 175.800 -0.018 0.000 1.104 598 F CA -0.046 57.930 58.000 -0.040 0.000 1.161 598 F CB 1.377 40.286 39.000 -0.152 0.000 1.146 598 F HN 0.818 nan 8.300 nan 0.000 0.522 599 D N 1.158 121.600 120.400 0.069 0.000 3.734 599 D HA 0.094 4.734 4.640 0.001 0.000 0.350 599 D C -1.305 174.991 176.300 -0.008 0.000 1.511 599 D CA -0.891 53.136 54.000 0.045 0.000 0.956 599 D CB 0.388 41.238 40.800 0.083 0.000 1.470 599 D HN 0.253 nan 8.370 nan 0.000 0.598 600 K N 0.258 120.655 120.400 -0.005 0.000 2.448 600 K HA 0.078 4.399 4.320 0.001 0.000 0.278 600 K C 0.160 176.753 176.600 -0.012 0.000 1.009 600 K CA 0.235 56.514 56.287 -0.013 0.000 0.995 600 K CB 0.269 32.760 32.500 -0.016 0.000 0.917 600 K HN 0.478 nan 8.250 nan 0.000 0.481 601 K N 0.136 120.525 120.400 -0.018 0.000 3.448 601 K HA -0.201 4.120 4.320 0.001 0.000 0.292 601 K C 0.808 177.368 176.600 -0.067 0.000 0.847 601 K CA 1.399 57.685 56.287 -0.002 0.000 1.278 601 K CB -1.548 30.979 32.500 0.044 0.000 1.266 601 K HN 0.669 nan 8.250 nan 0.000 0.523 602 A N 0.529 123.256 122.820 -0.157 0.000 1.920 602 A HA 0.377 4.697 4.320 0.001 0.000 0.209 602 A C 1.290 178.719 177.584 -0.258 0.000 1.229 602 A CA 0.949 52.756 52.037 -0.384 0.000 0.671 602 A CB 0.234 18.806 19.000 -0.713 0.000 0.886 602 A HN 0.242 nan 8.150 nan 0.000 0.461 603 I N -3.427 117.077 120.570 -0.110 0.000 3.595 603 I HA 0.702 4.872 4.170 0.001 0.000 0.289 603 I C 0.439 176.557 176.117 0.002 0.000 1.145 603 I CA -0.733 60.577 61.300 0.018 0.000 1.071 603 I CB 1.128 39.253 38.000 0.209 0.000 1.364 603 I HN 0.478 nan 8.210 nan 0.000 0.486 604 G N 2.361 111.164 108.800 0.004 0.000 3.055 604 G HA2 -0.112 3.848 3.960 0.001 0.000 0.686 604 G HA3 -0.112 3.848 3.960 0.001 0.000 0.686 604 G C -0.723 174.153 174.900 -0.041 0.000 1.087 604 G CA -0.697 44.392 45.100 -0.018 0.000 0.779 604 G HN 0.932 nan 8.290 nan 0.000 0.599 605 N N 2.330 120.999 118.700 -0.051 0.000 2.273 605 N HA 0.111 4.852 4.740 0.001 0.000 0.227 605 N C 0.748 176.242 175.510 -0.027 0.000 1.292 605 N CA 0.687 53.707 53.050 -0.050 0.000 0.875 605 N CB 0.271 38.729 38.487 -0.049 0.000 1.105 605 N HN 1.040 nan 8.380 nan 0.000 0.434 606 Q N -0.670 119.135 119.800 0.008 0.000 2.406 606 Q HA -0.216 4.124 4.340 0.001 0.000 0.339 606 Q C -1.091 174.898 176.000 -0.019 0.000 1.337 606 Q CA 1.061 56.886 55.803 0.035 0.000 0.985 606 Q CB -0.789 27.939 28.738 -0.016 0.000 1.216 606 Q HN 0.627 nan 8.270 nan 0.000 0.415 607 Q N 0.608 120.397 119.800 -0.018 0.000 2.798 607 Q HA 0.403 4.743 4.340 0.001 0.000 0.250 607 Q C -2.408 173.578 176.000 -0.024 0.000 1.006 607 Q CA -1.535 54.256 55.803 -0.021 0.000 0.759 607 Q CB 1.680 30.403 28.738 -0.025 0.000 1.201 607 Q HN 0.200 nan 8.270 nan 0.000 0.486 608 P HA 0.124 nan 4.420 nan 0.000 0.274 608 P C -0.443 176.949 177.300 0.153 0.000 1.231 608 P CA -0.038 63.103 63.100 0.069 0.000 0.790 608 P CB 0.647 32.463 31.700 0.192 0.000 0.951 609 E N -1.508 118.798 120.200 0.177 0.000 2.637 609 E HA -0.171 4.180 4.350 0.001 0.000 0.265 609 E C -0.151 176.476 176.600 0.045 0.000 1.073 609 E CA 0.566 56.923 56.400 -0.071 0.000 0.778 609 E CB -1.719 28.113 29.700 0.220 0.000 1.362 609 E HN 0.597 nan 8.360 nan 0.000 0.413 610 S N -1.000 114.656 115.700 -0.073 0.000 2.693 610 S HA 0.501 4.972 4.470 0.001 0.000 0.276 610 S C 1.290 175.800 174.600 -0.149 0.000 1.192 610 S CA -0.584 57.585 58.200 -0.052 0.000 0.994 610 S CB 1.210 64.375 63.200 -0.059 0.000 1.012 610 S HN 0.207 nan 8.310 nan 0.000 0.550 611 I N 0.261 120.637 120.570 -0.323 0.000 2.163 611 I HA -0.167 4.003 4.170 0.001 0.000 0.243 611 I C 2.383 178.509 176.117 0.015 0.000 1.085 611 I CA 1.277 62.412 61.300 -0.275 0.000 1.347 611 I CB -0.473 37.224 38.000 -0.506 0.000 1.044 611 I HN 0.580 nan 8.210 nan 0.000 0.408 612 L N 0.165 121.366 121.223 -0.036 0.000 2.141 612 L HA -0.226 4.115 4.340 0.001 0.000 0.209 612 L C 2.562 179.500 176.870 0.114 0.000 1.094 612 L CA 1.710 56.586 54.840 0.060 0.000 0.763 612 L CB -0.692 41.407 42.059 0.066 0.000 0.908 612 L HN 0.256 nan 8.230 nan 0.000 0.437 613 H N -1.697 117.304 119.070 -0.115 0.000 2.267 613 H HA -0.262 4.294 4.556 0.001 0.000 0.297 613 H C 1.984 177.266 175.328 -0.076 0.000 1.080 613 H CA 2.273 58.191 56.048 -0.217 0.000 1.278 613 H CB -0.294 29.159 29.762 -0.514 0.000 1.365 613 H HN 0.456 nan 8.280 nan 0.000 0.489 614 W N 0.908 122.340 121.300 0.220 0.000 2.333 614 W HA -0.160 4.501 4.660 0.001 0.000 0.316 614 W C 2.655 179.378 176.519 0.340 0.000 1.215 614 W CA 0.400 57.880 57.345 0.225 0.000 1.278 614 W CB -0.465 29.204 29.460 0.349 0.000 1.154 614 W HN 0.184 nan 8.180 nan 0.000 0.486 615 L N -0.032 121.514 121.223 0.539 0.000 2.137 615 L HA -0.284 4.057 4.340 0.001 0.000 0.213 615 L C 2.062 179.245 176.870 0.522 0.000 1.085 615 L CA 1.434 56.522 54.840 0.414 0.000 0.760 615 L CB -0.650 41.504 42.059 0.158 0.000 0.893 615 L HN 0.131 nan 8.230 nan 0.000 0.434 616 I N -1.189 119.618 120.570 0.394 0.000 2.585 616 I HA -0.195 3.976 4.170 0.001 0.000 0.254 616 I C 2.554 178.859 176.117 0.312 0.000 1.129 616 I CA 0.755 62.262 61.300 0.345 0.000 1.455 616 I CB -0.208 37.930 38.000 0.230 0.000 1.111 616 I HN 0.135 nan 8.210 nan 0.000 0.433 617 K N 1.498 122.084 120.400 0.310 0.000 2.155 617 K HA -0.148 4.172 4.320 0.001 0.000 0.203 617 K C 1.349 178.066 176.600 0.196 0.000 1.052 617 K CA 1.360 57.803 56.287 0.259 0.000 0.948 617 K CB 0.192 32.854 32.500 0.270 0.000 0.728 617 K HN 0.455 nan 8.250 nan 0.000 0.448 618 E N -1.441 118.860 120.200 0.168 0.000 2.558 618 E HA 0.073 4.424 4.350 0.001 0.000 0.205 618 E C -0.783 175.509 176.600 -0.515 0.000 1.006 618 E CA -0.445 55.885 56.400 -0.116 0.000 0.961 618 E CB 0.261 29.876 29.700 -0.142 0.000 1.044 618 E HN 0.124 nan 8.360 nan 0.000 0.465 619 Y N 0.538 120.922 120.300 0.140 0.000 2.638 619 Y HA 0.256 4.807 4.550 0.001 0.000 0.339 619 Y C 0.372 176.344 175.900 0.119 0.000 1.084 619 Y CA -1.276 56.856 58.100 0.054 0.000 1.068 619 Y CB 1.581 39.947 38.460 -0.156 0.000 1.294 619 Y HN 0.038 nan 8.280 nan 0.000 0.480 620 S N -0.547 115.322 115.700 0.282 0.000 2.554 620 S HA -0.106 4.365 4.470 0.001 0.000 0.290 620 S C 0.495 175.262 174.600 0.278 0.000 1.309 620 S CA 0.070 58.405 58.200 0.224 0.000 1.047 620 S CB 0.544 63.848 63.200 0.173 0.000 0.828 620 S HN 0.841 nan 8.310 nan 0.000 0.509 621 D N 0.429 120.959 120.400 0.217 0.000 2.310 621 D HA -0.060 4.580 4.640 0.001 0.000 0.212 621 D C 1.447 177.904 176.300 0.263 0.000 0.965 621 D CA 0.892 55.037 54.000 0.242 0.000 0.879 621 D CB 0.087 41.006 40.800 0.199 0.000 0.921 621 D HN 0.592 nan 8.370 nan 0.000 0.510 622 E N -1.350 118.975 120.200 0.207 0.000 2.472 622 E HA -0.051 4.300 4.350 0.001 0.000 0.196 622 E C 0.998 177.719 176.600 0.203 0.000 1.033 622 E CA -0.029 56.458 56.400 0.145 0.000 0.886 622 E CB 0.085 29.834 29.700 0.082 0.000 0.944 622 E HN 0.516 nan 8.360 nan 0.000 0.492 623 Y N 0.301 120.688 120.300 0.145 0.000 2.269 623 Y HA 0.086 4.636 4.550 0.001 0.000 0.294 623 Y C 2.156 178.229 175.900 0.287 0.000 1.120 623 Y CA 1.640 59.861 58.100 0.203 0.000 1.159 623 Y CB -0.387 38.161 38.460 0.148 0.000 1.024 623 Y HN -0.007 nan 8.280 nan 0.000 0.532 624 G N 1.092 110.066 108.800 0.289 0.000 2.476 624 G HA2 -0.363 3.598 3.960 0.001 0.000 0.218 624 G HA3 -0.363 3.598 3.960 0.001 0.000 0.218 624 G C 1.745 176.698 174.900 0.088 0.000 1.164 624 G CA 1.225 46.434 45.100 0.183 0.000 0.768 624 G HN 0.400 nan 8.290 nan 0.000 0.560 625 K N -0.751 119.722 120.400 0.121 0.000 2.097 625 K HA -0.119 4.202 4.320 0.001 0.000 0.205 625 K C 2.182 178.806 176.600 0.040 0.000 1.050 625 K CA 1.104 57.417 56.287 0.042 0.000 0.938 625 K CB -0.282 32.134 32.500 -0.140 0.000 0.718 625 K HN 0.475 nan 8.250 nan 0.000 0.442 626 W N 1.416 122.646 121.300 -0.117 0.000 2.379 626 W HA -0.200 4.460 4.660 0.001 0.000 0.307 626 W C 1.742 178.183 176.519 -0.130 0.000 1.200 626 W CA 1.027 58.305 57.345 -0.111 0.000 1.297 626 W CB -0.407 28.993 29.460 -0.100 0.000 1.140 626 W HN 0.086 nan 8.180 nan 0.000 0.507 627 L N 0.785 121.859 121.223 -0.249 0.000 2.017 627 L HA -0.243 4.097 4.340 0.001 0.000 0.208 627 L C 2.384 179.111 176.870 -0.240 0.000 1.073 627 L CA 2.009 56.573 54.840 -0.459 0.000 0.745 627 L CB -0.791 40.984 42.059 -0.474 0.000 0.894 627 L HN -0.027 nan 8.230 nan 0.000 0.432 628 M N -1.140 118.426 119.600 -0.056 0.000 2.267 628 M HA -0.176 4.305 4.480 0.001 0.000 0.263 628 M C 1.430 177.718 176.300 -0.019 0.000 1.063 628 M CA 1.279 56.601 55.300 0.037 0.000 1.090 628 M CB -1.145 31.407 32.600 -0.079 0.000 1.392 628 M HN 0.284 nan 8.290 nan 0.000 0.422 629 D N -0.280 120.036 120.400 -0.140 0.000 2.327 629 D HA 0.035 4.676 4.640 0.001 0.000 0.205 629 D C 1.486 177.654 176.300 -0.221 0.000 0.989 629 D CA 0.624 54.535 54.000 -0.148 0.000 0.873 629 D CB 0.181 40.903 40.800 -0.129 0.000 0.955 629 D HN 0.395 nan 8.370 nan 0.000 0.515 630 N N -0.212 118.229 118.700 -0.432 0.000 2.297 630 N HA 0.013 4.753 4.740 0.001 0.000 0.208 630 N C 1.609 176.765 175.510 -0.590 0.000 1.176 630 N CA -0.081 52.693 53.050 -0.460 0.000 0.882 630 N CB 0.897 39.008 38.487 -0.626 0.000 1.134 630 N HN 0.052 nan 8.380 nan 0.000 0.489 631 L N 0.400 121.086 121.223 -0.895 0.000 2.109 631 L HA 0.159 4.499 4.340 0.001 0.000 0.207 631 L C 1.473 177.458 176.870 -1.476 0.000 1.086 631 L CA 1.557 55.475 54.840 -1.537 0.000 0.760 631 L CB -0.396 40.736 42.059 -1.545 0.000 0.910 631 L HN -0.087 nan 8.230 nan 0.000 0.437 632 F N -0.910 118.618 119.950 -0.704 0.000 2.416 632 F HA 0.055 4.582 4.527 0.001 0.000 0.296 632 F C 2.567 178.345 175.800 -0.037 0.000 1.099 632 F CA 0.658 58.472 58.000 -0.309 0.000 1.427 632 F CB -0.349 38.556 39.000 -0.159 0.000 1.079 632 F HN -0.048 nan 8.300 nan 0.000 0.536 633 R N 0.184 120.690 120.500 0.011 0.000 2.148 633 R HA -0.060 4.280 4.340 0.001 0.000 0.227 633 R C 1.979 178.252 176.300 -0.044 0.000 1.103 633 R CA 0.627 56.743 56.100 0.025 0.000 0.983 633 R CB -0.370 29.920 30.300 -0.017 0.000 0.874 633 R HN 0.140 nan 8.270 nan 0.000 0.451 634 V N -0.047 119.732 119.914 -0.225 0.000 2.323 634 V HA -0.194 3.926 4.120 0.001 0.000 0.244 634 V C 1.768 177.846 176.094 -0.027 0.000 1.041 634 V CA 1.717 63.896 62.300 -0.202 0.000 1.025 634 V CB -0.446 31.117 31.823 -0.433 0.000 0.656 634 V HN 0.311 nan 8.190 nan 0.000 0.451 635 F N -0.620 119.309 119.950 -0.035 0.000 2.126 635 F HA -0.238 4.289 4.527 0.001 0.000 0.299 635 F C 2.337 178.194 175.800 0.094 0.000 1.096 635 F CA 1.042 59.069 58.000 0.044 0.000 1.255 635 F CB -0.309 38.758 39.000 0.112 0.000 0.997 635 F HN 0.133 nan 8.300 nan 0.000 0.479 636 I N 0.267 120.981 120.570 0.240 0.000 2.252 636 I HA -0.242 3.928 4.170 0.001 0.000 0.245 636 I C 2.425 178.601 176.117 0.098 0.000 1.102 636 I CA 1.267 62.620 61.300 0.089 0.000 1.385 636 I CB -1.261 36.735 38.000 -0.006 0.000 1.064 636 I HN 0.076 nan 8.210 nan 0.000 0.414 637 R N 1.111 121.678 120.500 0.111 0.000 2.103 637 R HA -0.239 4.102 4.340 0.001 0.000 0.242 637 R C 2.263 178.652 176.300 0.149 0.000 1.142 637 R CA 1.650 57.812 56.100 0.103 0.000 0.960 637 R CB -1.025 29.331 30.300 0.093 0.000 0.858 637 R HN 0.249 nan 8.270 nan 0.000 0.439 638 F N -0.134 119.852 119.950 0.060 0.000 2.234 638 F HA -0.075 4.452 4.527 0.000 0.000 0.299 638 F C 1.718 177.563 175.800 0.074 0.000 1.087 638 F CA 1.158 59.201 58.000 0.070 0.000 1.340 638 F CB -0.074 38.977 39.000 0.086 0.000 1.031 638 F HN -0.110 nan 8.300 nan 0.000 0.500 639 V N 0.359 120.307 119.914 0.058 0.000 2.407 639 V HA -0.279 3.842 4.120 0.001 0.000 0.248 639 V C 1.928 177.989 176.094 -0.054 0.000 1.055 639 V CA 2.178 64.469 62.300 -0.014 0.000 1.049 639 V CB -0.923 30.921 31.823 0.036 0.000 0.662 639 V HN 0.329 nan 8.190 nan 0.000 0.455 640 E N -0.134 120.046 120.200 -0.034 0.000 2.418 640 E HA -0.095 4.256 4.350 0.001 0.000 0.197 640 E C 1.820 178.383 176.600 -0.062 0.000 1.026 640 E CA 0.576 56.957 56.400 -0.031 0.000 0.862 640 E CB -0.025 29.670 29.700 -0.009 0.000 0.799 640 E HN 0.418 nan 8.360 nan 0.000 0.518 641 L N 0.006 121.146 121.223 -0.138 0.000 2.265 641 L HA -0.039 4.302 4.340 0.001 0.000 0.195 641 L C 2.336 179.056 176.870 -0.251 0.000 1.083 641 L CA 1.062 55.796 54.840 -0.176 0.000 0.798 641 L CB -0.281 41.668 42.059 -0.183 0.000 0.989 641 L HN -0.047 nan 8.230 nan 0.000 0.472 642 Q N 0.814 120.318 119.800 -0.494 0.000 2.119 642 Q HA 0.129 4.469 4.340 0.001 0.000 0.201 642 Q C 0.550 176.506 176.000 -0.074 0.000 0.972 642 Q CA 0.903 56.474 55.803 -0.386 0.000 0.847 642 Q CB -0.241 28.108 28.738 -0.647 0.000 0.903 642 Q HN 0.381 nan 8.270 nan 0.000 0.433 643 G N -0.183 108.606 108.800 -0.019 0.000 3.295 643 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 643 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 643 G C -1.015 174.045 174.900 0.267 0.000 0.958 643 G CA -0.119 45.032 45.100 0.086 0.000 0.787 643 G HN 0.290 nan 8.290 nan 0.000 0.523 644 F N 2.913 122.888 119.950 0.041 0.000 2.562 644 F HA 0.768 5.295 4.527 0.000 0.000 0.319 644 F C 0.334 176.025 175.800 -0.182 0.000 1.154 644 F CA 0.403 58.454 58.000 0.084 0.000 0.931 644 F CB 2.350 41.438 39.000 0.147 0.000 1.198 644 F HN 0.851 nan 8.300 nan 0.000 0.444 645 T N 4.231 118.115 114.554 -1.116 0.000 2.550 645 T HA 0.772 5.123 4.350 0.001 0.000 0.256 645 T C -1.722 172.362 174.700 -1.027 0.000 0.866 645 T CA -0.528 61.014 62.100 -0.932 0.000 1.163 645 T CB 1.383 69.796 68.868 -0.757 0.000 1.460 645 T HN 0.688 nan 8.240 nan 0.000 0.498 646 M N 1.664 120.865 119.600 -0.666 0.000 2.333 646 M HA 0.554 5.034 4.480 0.001 0.000 0.286 646 M C -2.031 174.138 176.300 -0.219 0.000 1.113 646 M CA -0.312 54.775 55.300 -0.356 0.000 0.959 646 M CB 1.476 33.964 32.600 -0.187 0.000 1.776 646 M HN 0.751 nan 8.290 nan 0.000 0.492 647 R N 3.607 124.048 120.500 -0.099 0.000 2.626 647 R HA 0.530 4.870 4.340 0.001 0.000 0.274 647 R C -0.290 176.020 176.300 0.016 0.000 1.031 647 R CA -1.045 55.032 56.100 -0.038 0.000 0.898 647 R CB 1.153 31.442 30.300 -0.019 0.000 1.222 647 R HN 0.850 nan 8.270 nan 0.000 0.455 648 L N 0.999 122.231 121.223 0.014 0.000 2.189 648 L HA -0.169 4.171 4.340 0.001 0.000 0.214 648 L C 1.198 178.094 176.870 0.044 0.000 1.097 648 L CA 1.792 56.649 54.840 0.029 0.000 0.764 648 L CB -0.003 42.070 42.059 0.024 0.000 0.900 648 L HN 0.764 nan 8.230 nan 0.000 0.436 649 E N -0.107 120.122 120.200 0.047 0.000 2.338 649 E HA -0.172 4.178 4.350 0.001 0.000 0.197 649 E C 1.532 178.171 176.600 0.065 0.000 1.007 649 E CA 0.934 57.366 56.400 0.053 0.000 0.849 649 E CB -0.153 29.579 29.700 0.054 0.000 0.774 649 E HN 0.538 nan 8.360 nan 0.000 0.506 650 D N -0.919 119.532 120.400 0.084 0.000 2.312 650 D HA -0.063 4.577 4.640 0.001 0.000 0.211 650 D C 1.310 177.662 176.300 0.088 0.000 0.964 650 D CA 0.561 54.620 54.000 0.099 0.000 0.877 650 D CB 0.361 41.244 40.800 0.140 0.000 0.924 650 D HN 0.122 nan 8.370 nan 0.000 0.515 651 V N -0.182 119.777 119.914 0.075 0.000 3.307 651 V HA 0.024 4.145 4.120 0.001 0.000 0.244 651 V C 0.925 177.054 176.094 0.059 0.000 1.196 651 V CA 0.242 62.588 62.300 0.076 0.000 1.132 651 V CB 0.145 32.016 31.823 0.079 0.000 0.875 651 V HN 0.121 nan 8.190 nan 0.000 0.468 652 S N 2.927 118.657 115.700 0.051 0.000 2.448 652 S HA 0.414 4.884 4.470 0.001 0.000 0.279 652 S C 0.377 174.998 174.600 0.033 0.000 1.195 652 S CA -0.385 57.840 58.200 0.041 0.000 1.051 652 S CB 0.622 63.846 63.200 0.040 0.000 0.948 652 S HN 0.496 nan 8.310 nan 0.000 0.493 653 L N 1.554 122.792 121.223 0.024 0.000 2.769 653 L HA 0.555 4.896 4.340 0.001 0.000 0.240 653 L C 0.941 177.818 176.870 0.013 0.000 1.163 653 L CA -0.852 53.999 54.840 0.018 0.000 0.962 653 L CB -0.834 41.230 42.059 0.007 0.000 1.258 653 L HN 0.733 nan 8.230 nan 0.000 0.513 654 G N 0.934 109.747 108.800 0.021 0.000 2.168 654 G HA2 0.098 4.059 3.960 0.001 0.000 0.240 654 G HA3 0.098 4.059 3.960 0.001 0.000 0.240 654 G C -0.280 174.637 174.900 0.027 0.000 1.080 654 G CA 0.629 45.745 45.100 0.027 0.000 0.877 654 G HN 0.595 nan 8.290 nan 0.000 0.446 655 D N 0.330 120.752 120.400 0.036 0.000 10.944 655 D HA -0.174 4.466 4.640 0.001 0.000 0.358 655 D C 0.783 177.093 176.300 0.018 0.000 3.120 655 D CA 1.781 55.805 54.000 0.040 0.000 2.629 655 D CB -0.352 40.472 40.800 0.040 0.000 1.169 655 D HN 1.021 nan 8.370 nan 0.000 0.937 656 D N -1.251 119.161 120.400 0.019 0.000 4.356 656 D HA -0.336 4.304 4.640 0.001 0.000 0.223 656 D C 1.242 177.508 176.300 -0.057 0.000 1.133 656 D CA 3.094 57.092 54.000 -0.002 0.000 2.270 656 D CB -1.170 39.638 40.800 0.012 0.000 1.185 656 D HN 0.236 nan 8.370 nan 0.000 0.408 657 V N 0.330 120.197 119.914 -0.079 0.000 2.515 657 V HA -0.160 3.961 4.120 0.001 0.000 0.250 657 V C 2.383 178.365 176.094 -0.187 0.000 1.058 657 V CA 2.190 64.385 62.300 -0.176 0.000 1.064 657 V CB -0.533 31.219 31.823 -0.118 0.000 0.675 657 V HN 0.332 nan 8.190 nan 0.000 0.461 658 K N 0.285 120.597 120.400 -0.148 0.000 2.152 658 K HA -0.196 4.125 4.320 0.001 0.000 0.206 658 K C 2.133 178.529 176.600 -0.339 0.000 1.048 658 K CA 1.340 57.460 56.287 -0.278 0.000 0.933 658 K CB -0.192 32.220 32.500 -0.146 0.000 0.721 658 K HN 0.446 nan 8.250 nan 0.000 0.447 659 K N 0.704 121.058 120.400 -0.077 0.000 2.365 659 K HA -0.102 4.218 4.320 0.001 0.000 0.199 659 K C 1.769 178.349 176.600 -0.033 0.000 1.045 659 K CA 0.735 57.049 56.287 0.045 0.000 0.962 659 K CB 0.120 32.660 32.500 0.065 0.000 0.759 659 K HN 0.229 nan 8.250 nan 0.000 0.469 660 E N 0.683 120.805 120.200 -0.130 0.000 2.072 660 E HA -0.150 4.201 4.350 0.001 0.000 0.191 660 E C 1.901 178.436 176.600 -0.110 0.000 0.985 660 E CA 0.859 57.178 56.400 -0.136 0.000 0.801 660 E CB 0.102 29.665 29.700 -0.228 0.000 0.750 660 E HN 0.219 nan 8.360 nan 0.000 0.452 661 I N 0.103 120.562 120.570 -0.186 0.000 2.286 661 I HA -0.234 3.936 4.170 0.001 0.000 0.245 661 I C 2.063 178.138 176.117 -0.069 0.000 1.104 661 I CA 1.426 62.625 61.300 -0.169 0.000 1.397 661 I CB -1.359 36.464 38.000 -0.295 0.000 1.072 661 I HN 0.190 nan 8.210 nan 0.000 0.417 662 Y N 0.928 121.232 120.300 0.008 0.000 2.352 662 Y HA -0.175 4.375 4.550 0.001 0.000 0.292 662 Y C 2.373 178.269 175.900 -0.007 0.000 1.136 662 Y CA 0.833 58.933 58.100 0.001 0.000 1.227 662 Y CB -0.355 38.097 38.460 -0.013 0.000 0.991 662 Y HN 0.232 nan 8.280 nan 0.000 0.545 663 N N 0.177 118.951 118.700 0.122 0.000 2.463 663 N HA -0.110 4.630 4.740 0.001 0.000 0.181 663 N C 1.364 176.902 175.510 0.046 0.000 1.078 663 N CA 0.634 53.722 53.050 0.064 0.000 0.902 663 N CB 0.105 38.612 38.487 0.033 0.000 0.970 663 N HN 0.221 nan 8.380 nan 0.000 0.451 664 E N -0.444 119.787 120.200 0.052 0.000 2.340 664 E HA 0.135 4.486 4.350 0.001 0.000 0.198 664 E C 1.756 178.405 176.600 0.081 0.000 0.961 664 E CA 0.240 56.668 56.400 0.046 0.000 0.905 664 E CB -0.003 29.713 29.700 0.027 0.000 0.884 664 E HN 0.534 nan 8.360 nan 0.000 0.491 665 I N -0.595 120.054 120.570 0.132 0.000 2.286 665 I HA -0.093 4.078 4.170 0.001 0.000 0.245 665 I C 1.294 177.482 176.117 0.118 0.000 1.104 665 I CA 1.668 63.092 61.300 0.208 0.000 1.397 665 I CB -0.506 37.685 38.000 0.317 0.000 1.072 665 I HN -0.087 nan 8.210 nan 0.000 0.417 666 D N 0.503 120.937 120.400 0.057 0.000 2.317 666 D HA -0.149 4.491 4.640 0.001 0.000 0.211 666 D C 2.213 178.523 176.300 0.017 0.000 0.966 666 D CA 0.520 54.530 54.000 0.017 0.000 0.876 666 D CB -0.448 40.351 40.800 -0.002 0.000 0.927 666 D HN 0.359 nan 8.370 nan 0.000 0.519 667 R N 0.225 120.740 120.500 0.025 0.000 2.115 667 R HA 0.073 4.414 4.340 0.001 0.000 0.230 667 R C 1.994 178.297 176.300 0.005 0.000 1.111 667 R CA 1.148 57.256 56.100 0.013 0.000 0.976 667 R CB -0.117 30.192 30.300 0.016 0.000 0.870 667 R HN 0.275 nan 8.270 nan 0.000 0.445 668 A N 0.788 123.616 122.820 0.013 0.000 1.930 668 A HA -0.082 4.238 4.320 0.001 0.000 0.215 668 A C 1.841 179.408 177.584 -0.028 0.000 1.176 668 A CA 0.972 52.999 52.037 -0.016 0.000 0.632 668 A CB -0.097 18.888 19.000 -0.026 0.000 0.819 668 A HN 0.225 nan 8.150 nan 0.000 0.445 669 K N 0.044 120.444 120.400 0.001 0.000 2.057 669 K HA -0.107 4.213 4.320 0.001 0.000 0.207 669 K C 1.759 178.351 176.600 -0.013 0.000 1.049 669 K CA 1.626 57.910 56.287 -0.004 0.000 0.931 669 K CB -0.410 32.094 32.500 0.007 0.000 0.714 669 K HN 0.507 nan 8.250 nan 0.000 0.440 670 V N -1.114 118.793 119.914 -0.011 0.000 3.141 670 V HA -0.075 4.045 4.120 0.001 0.000 0.265 670 V C 1.655 177.738 176.094 -0.019 0.000 1.126 670 V CA 1.405 63.697 62.300 -0.012 0.000 1.141 670 V CB -0.301 31.517 31.823 -0.009 0.000 0.743 670 V HN 0.218 nan 8.190 nan 0.000 0.492 671 E N 0.120 120.304 120.200 -0.027 0.000 2.371 671 E HA 0.001 4.351 4.350 0.001 0.000 0.194 671 E C 1.795 178.371 176.600 -0.041 0.000 1.012 671 E CA 0.812 57.190 56.400 -0.037 0.000 0.860 671 E CB 0.416 30.091 29.700 -0.042 0.000 0.811 671 E HN 0.629 nan 8.360 nan 0.000 0.502 672 V N 0.472 120.363 119.914 -0.038 0.000 2.672 672 V HA -0.115 4.006 4.120 0.001 0.000 0.242 672 V C 1.797 177.883 176.094 -0.014 0.000 1.059 672 V CA 0.930 63.209 62.300 -0.034 0.000 1.081 672 V CB -0.282 31.509 31.823 -0.052 0.000 0.752 672 V HN 0.174 nan 8.190 nan 0.000 0.472 673 D N 1.982 122.376 120.400 -0.009 0.000 2.137 673 D HA -0.215 4.425 4.640 0.001 0.000 0.189 673 D C 1.921 178.226 176.300 0.007 0.000 0.998 673 D CA 2.134 56.136 54.000 0.002 0.000 0.839 673 D CB -0.331 40.469 40.800 0.001 0.000 0.962 673 D HN 0.603 nan 8.370 nan 0.000 0.446 674 N N 0.849 119.548 118.700 -0.002 0.000 2.459 674 N HA -0.120 4.621 4.740 0.001 0.000 0.181 674 N C 1.997 177.507 175.510 -0.000 0.000 1.046 674 N CA 0.362 53.410 53.050 -0.003 0.000 0.904 674 N CB -0.830 37.649 38.487 -0.014 0.000 0.964 674 N HN 0.294 nan 8.380 nan 0.000 0.444 675 L N -0.274 120.947 121.223 -0.003 0.000 2.270 675 L HA 0.088 4.429 4.340 0.001 0.000 0.210 675 L C 1.890 178.798 176.870 0.063 0.000 1.104 675 L CA 0.316 55.159 54.840 0.005 0.000 0.804 675 L CB -0.071 41.980 42.059 -0.014 0.000 0.937 675 L HN 0.025 nan 8.230 nan 0.000 0.450 676 I N -0.219 120.387 120.570 0.059 0.000 2.163 676 I HA -0.283 3.887 4.170 0.001 0.000 0.240 676 I C 2.306 178.510 176.117 0.145 0.000 1.081 676 I CA 1.555 62.915 61.300 0.099 0.000 1.353 676 I CB -1.000 37.040 38.000 0.066 0.000 1.054 676 I HN 0.402 nan 8.210 nan 0.000 0.407 677 Q N 0.144 119.995 119.800 0.084 0.000 2.378 677 Q HA -0.122 4.218 4.340 0.001 0.000 0.205 677 Q C 2.076 178.107 176.000 0.051 0.000 0.954 677 Q CA 0.555 56.394 55.803 0.061 0.000 0.901 677 Q CB 0.127 28.883 28.738 0.031 0.000 0.981 677 Q HN 0.459 nan 8.270 nan 0.000 0.483 678 K N 0.155 120.593 120.400 0.064 0.000 2.026 678 K HA -0.196 4.125 4.320 0.001 0.000 0.208 678 K C 1.937 178.593 176.600 0.093 0.000 1.048 678 K CA 1.364 57.685 56.287 0.056 0.000 0.929 678 K CB -0.165 32.360 32.500 0.041 0.000 0.713 678 K HN 0.193 nan 8.250 nan 0.000 0.439 679 Y N 1.795 122.111 120.300 0.026 0.000 2.242 679 Y HA -0.143 4.407 4.550 0.001 0.000 0.291 679 Y C 1.347 177.259 175.900 0.021 0.000 1.137 679 Y CA 1.514 59.636 58.100 0.037 0.000 1.181 679 Y CB 0.132 38.623 38.460 0.052 0.000 0.989 679 Y HN -0.137 nan 8.280 nan 0.000 0.527 680 K N 0.783 121.155 120.400 -0.048 0.000 2.525 680 K HA -0.007 4.313 4.320 0.001 0.000 0.192 680 K C -0.241 176.284 176.600 -0.126 0.000 1.029 680 K CA 0.119 56.323 56.287 -0.139 0.000 1.029 680 K CB -0.126 32.374 32.500 -0.000 0.000 0.814 680 K HN 0.334 nan 8.250 nan 0.000 0.503 681 N N -1.648 116.991 118.700 -0.102 0.000 3.091 681 N HA 0.139 4.879 4.740 0.001 0.000 0.329 681 N C 0.839 176.304 175.510 -0.075 0.000 1.430 681 N CA -0.368 52.638 53.050 -0.073 0.000 0.755 681 N CB 0.602 39.067 38.487 -0.036 0.000 1.626 681 N HN -0.054 nan 8.380 nan 0.000 0.614 682 G N -0.196 108.575 108.800 -0.049 0.000 2.484 682 G HA2 -0.168 3.792 3.960 0.001 0.000 0.218 682 G HA3 -0.168 3.792 3.960 0.001 0.000 0.218 682 G C 0.232 175.121 174.900 -0.020 0.000 1.130 682 G CA 0.464 45.541 45.100 -0.037 0.000 0.784 682 G HN 0.677 nan 8.290 nan 0.000 0.543 683 E N 1.258 121.450 120.200 -0.013 0.000 2.773 683 E HA 0.250 4.600 4.350 0.001 0.000 0.302 683 E C 1.227 177.841 176.600 0.023 0.000 1.574 683 E CA -0.390 56.011 56.400 0.001 0.000 1.775 683 E CB -0.131 29.567 29.700 -0.004 0.000 1.413 683 E HN 0.335 nan 8.360 nan 0.000 0.471 684 L N 1.025 122.268 121.223 0.033 0.000 2.042 684 L HA -0.173 4.167 4.340 0.001 0.000 0.210 684 L C 0.772 177.726 176.870 0.141 0.000 1.076 684 L CA 0.993 55.884 54.840 0.086 0.000 0.749 684 L CB -0.775 41.325 42.059 0.068 0.000 0.893 684 L HN 0.386 nan 8.230 nan 0.000 0.432 685 E N 0.023 120.283 120.200 0.101 0.000 2.291 685 E HA -0.171 4.180 4.350 0.001 0.000 0.181 685 E C -2.205 174.531 176.600 0.227 0.000 1.480 685 E CA -0.333 56.142 56.400 0.125 0.000 0.674 685 E CB -1.167 28.567 29.700 0.057 0.000 1.108 685 E HN 0.320 nan 8.360 nan 0.000 0.357 686 P HA 0.285 nan 4.420 nan 0.000 0.290 686 P C -0.016 177.342 177.300 0.097 0.000 1.276 686 P CA -0.306 62.872 63.100 0.130 0.000 0.808 686 P CB 0.650 32.403 31.700 0.088 0.000 0.966 687 I N 4.438 125.035 120.570 0.045 0.000 2.325 687 I HA 0.223 4.393 4.170 0.001 0.000 0.291 687 I C -1.508 174.609 176.117 -0.001 0.000 1.019 687 I CA -2.157 59.152 61.300 0.015 0.000 1.302 687 I CB 0.687 38.657 38.000 -0.051 0.000 1.401 687 I HN 0.163 nan 8.210 nan 0.000 0.485 688 P HA 0.076 nan 4.420 nan 0.000 0.237 688 P C 0.694 177.991 177.300 -0.004 0.000 1.701 688 P CA 0.178 63.281 63.100 0.006 0.000 0.955 688 P CB 0.147 31.854 31.700 0.011 0.000 1.937 689 G N 0.590 109.380 108.800 -0.016 0.000 2.828 689 G HA2 0.052 4.012 3.960 0.001 0.000 0.201 689 G HA3 0.052 4.012 3.960 0.001 0.000 0.201 689 G C 1.494 176.381 174.900 -0.022 0.000 1.102 689 G CA 0.251 45.337 45.100 -0.022 0.000 0.815 689 G HN 0.258 nan 8.290 nan 0.000 0.590 690 R N -1.361 119.123 120.500 -0.026 0.000 5.324 690 R HA 0.314 4.655 4.340 0.001 0.000 0.103 690 R C -0.499 175.793 176.300 -0.012 0.000 0.980 690 R CA 0.909 56.997 56.100 -0.020 0.000 0.877 690 R CB 0.091 30.374 30.300 -0.027 0.000 1.354 690 R HN 0.193 nan 8.270 nan 0.000 0.391 691 T N 0.765 115.309 114.554 -0.017 0.000 2.906 691 T HA 0.361 4.711 4.350 0.001 0.000 0.295 691 T C 0.541 175.248 174.700 0.011 0.000 1.061 691 T CA -0.593 61.508 62.100 0.001 0.000 1.000 691 T CB 1.996 70.865 68.868 0.003 0.000 1.103 691 T HN 0.042 nan 8.240 nan 0.000 0.486 692 L N 0.938 122.193 121.223 0.052 0.000 2.056 692 L HA -0.000 4.340 4.340 0.001 0.000 0.207 692 L C 2.487 179.453 176.870 0.161 0.000 1.078 692 L CA 1.706 56.611 54.840 0.109 0.000 0.749 692 L CB -0.651 41.486 42.059 0.129 0.000 0.901 692 L HN 0.722 nan 8.230 nan 0.000 0.433 693 E N -0.604 119.676 120.200 0.133 0.000 2.152 693 E HA -0.208 4.142 4.350 0.001 0.000 0.192 693 E C 2.032 178.557 176.600 -0.125 0.000 0.983 693 E CA 0.781 57.200 56.400 0.033 0.000 0.818 693 E CB -0.060 29.685 29.700 0.075 0.000 0.758 693 E HN 0.517 nan 8.360 nan 0.000 0.467 694 E N 0.929 121.084 120.200 -0.074 0.000 2.152 694 E HA -0.144 4.206 4.350 0.001 0.000 0.192 694 E C 2.085 178.586 176.600 -0.165 0.000 0.983 694 E CA 1.175 57.512 56.400 -0.106 0.000 0.818 694 E CB 0.136 29.792 29.700 -0.073 0.000 0.758 694 E HN 0.193 nan 8.360 nan 0.000 0.467 695 S N 1.180 116.778 115.700 -0.171 0.000 2.399 695 S HA -0.151 4.319 4.470 0.001 0.000 0.231 695 S C 2.094 176.454 174.600 -0.400 0.000 1.022 695 S CA 0.663 58.671 58.200 -0.321 0.000 0.983 695 S CB -0.391 62.677 63.200 -0.219 0.000 0.803 695 S HN 0.341 nan 8.310 nan 0.000 0.480 696 L N 1.502 122.609 121.223 -0.193 0.000 2.046 696 L HA -0.075 4.265 4.340 0.001 0.000 0.208 696 L C 2.452 179.246 176.870 -0.127 0.000 1.077 696 L CA 2.145 56.910 54.840 -0.126 0.000 0.747 696 L CB -1.034 40.747 42.059 -0.464 0.000 0.896 696 L HN 0.324 nan 8.230 nan 0.000 0.432 697 E N 0.036 120.127 120.200 -0.182 0.000 2.106 697 E HA -0.234 4.117 4.350 0.001 0.000 0.192 697 E C 1.877 178.402 176.600 -0.126 0.000 0.984 697 E CA 1.238 57.557 56.400 -0.134 0.000 0.806 697 E CB -0.271 29.354 29.700 -0.124 0.000 0.750 697 E HN 0.629 nan 8.360 nan 0.000 0.458 698 N N 0.065 118.644 118.700 -0.202 0.000 2.061 698 N HA -0.205 4.535 4.740 0.001 0.000 0.193 698 N C 1.794 177.208 175.510 -0.160 0.000 1.030 698 N CA 1.483 54.398 53.050 -0.225 0.000 0.856 698 N CB -0.172 38.105 38.487 -0.351 0.000 1.023 698 N HN 0.192 nan 8.380 nan 0.000 0.424 699 Y N 0.218 120.489 120.300 -0.048 0.000 2.145 699 Y HA -0.089 4.462 4.550 0.001 0.000 0.286 699 Y C 2.206 178.070 175.900 -0.061 0.000 1.145 699 Y CA 0.775 58.847 58.100 -0.046 0.000 1.148 699 Y CB -0.171 38.266 38.460 -0.038 0.000 0.981 699 Y HN 0.098 nan 8.280 nan 0.000 0.507 700 I N -0.123 120.495 120.570 0.080 0.000 2.264 700 I HA -0.319 3.851 4.170 0.001 0.000 0.248 700 I C 2.077 178.167 176.117 -0.046 0.000 1.111 700 I CA 1.303 62.595 61.300 -0.012 0.000 1.382 700 I CB -0.424 37.548 38.000 -0.047 0.000 1.060 700 I HN 0.254 nan 8.210 nan 0.000 0.418 701 L N 0.202 121.404 121.223 -0.035 0.000 2.131 701 L HA -0.235 4.106 4.340 0.001 0.000 0.210 701 L C 2.135 178.995 176.870 -0.016 0.000 1.092 701 L CA 1.315 56.136 54.840 -0.032 0.000 0.759 701 L CB -0.436 41.602 42.059 -0.035 0.000 0.903 701 L HN 0.257 nan 8.230 nan 0.000 0.435 702 D N -1.070 119.331 120.400 0.001 0.000 2.137 702 D HA -0.123 4.517 4.640 0.001 0.000 0.202 702 D C 2.053 178.353 176.300 0.002 0.000 0.970 702 D CA 1.264 55.273 54.000 0.015 0.000 0.837 702 D CB 0.203 41.032 40.800 0.049 0.000 0.981 702 D HN 0.106 nan 8.370 nan 0.000 0.475 703 T N 0.308 114.856 114.554 -0.011 0.000 2.746 703 T HA -0.072 4.278 4.350 0.001 0.000 0.267 703 T C 2.079 176.722 174.700 -0.094 0.000 1.039 703 T CA 0.751 62.824 62.100 -0.045 0.000 1.142 703 T CB -0.244 68.591 68.868 -0.055 0.000 0.866 703 T HN 0.144 nan 8.240 nan 0.000 0.444 704 L N 0.658 121.791 121.223 -0.150 0.000 2.217 704 L HA -0.030 4.310 4.340 0.001 0.000 0.211 704 L C 2.470 179.332 176.870 -0.013 0.000 1.107 704 L CA 1.064 55.752 54.840 -0.253 0.000 0.783 704 L CB -0.394 41.411 42.059 -0.422 0.000 0.919 704 L HN 0.210 nan 8.230 nan 0.000 0.442 705 D N -0.042 120.366 120.400 0.013 0.000 2.137 705 D HA -0.153 4.487 4.640 0.001 0.000 0.202 705 D C 2.177 178.495 176.300 0.031 0.000 0.970 705 D CA 0.969 54.995 54.000 0.044 0.000 0.837 705 D CB 0.235 41.051 40.800 0.027 0.000 0.981 705 D HN -0.120 nan 8.370 nan 0.000 0.475 706 K N -0.226 120.181 120.400 0.011 0.000 2.209 706 K HA -0.006 4.314 4.320 0.001 0.000 0.204 706 K C 1.194 177.802 176.600 0.014 0.000 1.048 706 K CA 0.514 56.807 56.287 0.010 0.000 0.940 706 K CB -0.071 32.431 32.500 0.003 0.000 0.729 706 K HN 0.297 nan 8.250 nan 0.000 0.451 707 L N 1.079 122.307 121.223 0.008 0.000 2.928 707 L HA 0.115 4.456 4.340 0.001 0.000 0.246 707 L C 1.408 178.324 176.870 0.076 0.000 1.239 707 L CA -0.153 54.699 54.840 0.021 0.000 1.035 707 L CB 0.211 42.261 42.059 -0.015 0.000 1.360 707 L HN 0.015 nan 8.230 nan 0.000 0.529 708 R N -2.208 118.344 120.500 0.087 0.000 2.257 708 R HA 0.089 4.430 4.340 0.001 0.000 0.195 708 R C 1.931 178.260 176.300 0.048 0.000 0.921 708 R CA 0.959 57.117 56.100 0.096 0.000 1.069 708 R CB -0.733 29.633 30.300 0.111 0.000 1.115 708 R HN 0.108 nan 8.270 nan 0.000 0.571 709 S N -0.180 115.544 115.700 0.040 0.000 2.428 709 S HA -0.058 4.412 4.470 0.001 0.000 0.230 709 S C 1.523 176.143 174.600 0.034 0.000 1.014 709 S CA 1.122 59.341 58.200 0.033 0.000 0.957 709 S CB -0.585 62.632 63.200 0.028 0.000 0.784 709 S HN 0.359 nan 8.310 nan 0.000 0.499 710 T N 2.761 117.335 114.554 0.034 0.000 2.746 710 T HA 0.099 4.450 4.350 0.001 0.000 0.267 710 T C 2.166 176.882 174.700 0.027 0.000 1.039 710 T CA 1.311 63.429 62.100 0.030 0.000 1.142 710 T CB -0.666 68.218 68.868 0.026 0.000 0.866 710 T HN 0.617 nan 8.240 nan 0.000 0.444 711 A N 1.283 124.120 122.820 0.030 0.000 2.015 711 A HA 0.230 4.550 4.320 0.001 0.000 0.219 711 A C 2.578 180.170 177.584 0.013 0.000 1.163 711 A CA 1.530 53.575 52.037 0.014 0.000 0.646 711 A CB -1.132 17.882 19.000 0.023 0.000 0.806 711 A HN 0.508 nan 8.150 nan 0.000 0.448 712 G N -0.319 108.497 108.800 0.027 0.000 2.403 712 G HA2 -0.150 3.810 3.960 0.001 0.000 0.216 712 G HA3 -0.150 3.810 3.960 0.001 0.000 0.216 712 G C 1.085 176.022 174.900 0.061 0.000 1.154 712 G CA 1.119 46.244 45.100 0.043 0.000 0.784 712 G HN 0.435 nan 8.290 nan 0.000 0.538 713 D N 0.698 121.131 120.400 0.056 0.000 2.117 713 D HA -0.058 4.582 4.640 0.001 0.000 0.198 713 D C 2.520 178.871 176.300 0.084 0.000 0.982 713 D CA 0.467 54.508 54.000 0.069 0.000 0.828 713 D CB -0.166 40.669 40.800 0.058 0.000 0.967 713 D HN 0.364 nan 8.370 nan 0.000 0.464 714 I N 0.709 121.318 120.570 0.065 0.000 2.226 714 I HA -0.206 3.965 4.170 0.001 0.000 0.245 714 I C 1.956 178.127 176.117 0.090 0.000 1.100 714 I CA 1.066 62.409 61.300 0.072 0.000 1.374 714 I CB -0.197 37.783 38.000 -0.034 0.000 1.057 714 I HN -0.071 nan 8.210 nan 0.000 0.413 715 A N -0.936 121.914 122.820 0.049 0.000 2.276 715 A HA 0.139 4.460 4.320 0.001 0.000 0.212 715 A C 1.985 179.596 177.584 0.044 0.000 1.230 715 A CA 0.604 52.666 52.037 0.042 0.000 0.844 715 A CB -0.209 18.804 19.000 0.022 0.000 0.860 715 A HN 0.313 nan 8.150 nan 0.000 0.486 716 S N -1.379 114.349 115.700 0.047 0.000 2.593 716 S HA 0.119 4.590 4.470 0.001 0.000 0.235 716 S C 1.458 175.978 174.600 -0.133 0.000 1.059 716 S CA 0.240 58.423 58.200 -0.028 0.000 0.953 716 S CB 0.315 63.618 63.200 0.171 0.000 0.897 716 S HN 0.474 nan 8.310 nan 0.000 0.507 717 K N -0.075 120.317 120.400 -0.012 0.000 2.370 717 K HA 0.350 4.670 4.320 0.001 0.000 0.194 717 K C 0.394 176.929 176.600 -0.110 0.000 1.070 717 K CA 0.391 56.645 56.287 -0.054 0.000 0.998 717 K CB -0.019 32.473 32.500 -0.014 0.000 0.911 717 K HN 0.227 nan 8.250 nan 0.000 0.533 718 Y N 0.235 120.502 120.300 -0.054 0.000 2.461 718 Y HA 0.284 4.834 4.550 0.001 0.000 0.277 718 Y C 0.086 175.949 175.900 -0.062 0.000 1.182 718 Y CA -0.099 57.974 58.100 -0.044 0.000 1.276 718 Y CB 0.423 38.864 38.460 -0.031 0.000 1.087 718 Y HN -0.084 nan 8.280 nan 0.000 0.519 719 L N -0.184 121.037 121.223 -0.004 0.000 2.362 719 L HA 0.368 4.708 4.340 0.001 0.000 0.271 719 L C -0.597 176.166 176.870 -0.178 0.000 1.002 719 L CA -1.132 53.664 54.840 -0.073 0.000 0.818 719 L CB 1.192 43.200 42.059 -0.085 0.000 1.298 719 L HN -0.190 nan 8.230 nan 0.000 0.420 720 D N 5.128 125.459 120.400 -0.115 0.000 2.554 720 D HA -0.006 4.635 4.640 0.001 0.000 0.251 720 D C -1.788 174.393 176.300 -0.198 0.000 1.213 720 D CA -0.950 52.998 54.000 -0.086 0.000 0.900 720 D CB 1.215 42.007 40.800 -0.012 0.000 1.135 720 D HN 0.278 nan 8.370 nan 0.000 0.522 721 P HA -0.000 nan 4.420 nan 0.000 0.229 721 P C 0.414 177.676 177.300 -0.063 0.000 1.160 721 P CA 0.696 63.671 63.100 -0.208 0.000 0.777 721 P CB 0.114 31.813 31.700 -0.002 0.000 0.814 722 F N -0.762 119.194 119.950 0.010 0.000 2.654 722 F HA 0.153 4.681 4.527 0.002 0.000 0.303 722 F C 1.165 176.923 175.800 -0.068 0.000 1.099 722 F CA -0.728 57.289 58.000 0.028 0.000 1.270 722 F CB -0.213 38.802 39.000 0.025 0.000 1.024 722 F HN -0.107 nan 8.300 nan 0.000 0.548 723 N N -0.322 118.408 118.700 0.051 0.000 2.503 723 N HA 0.001 4.741 4.740 0.001 0.000 0.267 723 N C 0.864 176.350 175.510 -0.041 0.000 1.214 723 N CA -0.356 52.648 53.050 -0.076 0.000 0.959 723 N CB 0.745 39.249 38.487 0.029 0.000 1.142 723 N HN -0.011 nan 8.380 nan 0.000 0.455 724 F N 0.874 120.820 119.950 -0.008 0.000 2.063 724 F HA -0.296 4.232 4.527 0.001 0.000 0.298 724 F C 2.691 178.504 175.800 0.021 0.000 1.105 724 F CA 2.219 60.134 58.000 -0.141 0.000 1.215 724 F CB -0.812 37.856 39.000 -0.554 0.000 0.972 724 F HN 0.701 nan 8.300 nan 0.000 0.483 725 A N -1.666 121.287 122.820 0.222 0.000 1.969 725 A HA -0.204 4.117 4.320 0.001 0.000 0.218 725 A C 2.003 179.679 177.584 0.153 0.000 1.169 725 A CA 1.319 53.457 52.037 0.168 0.000 0.635 725 A CB -1.177 17.906 19.000 0.138 0.000 0.810 725 A HN 0.544 nan 8.150 nan 0.000 0.445 726 Y N -0.583 119.738 120.300 0.035 0.000 2.448 726 Y HA 0.023 4.574 4.550 0.001 0.000 0.289 726 Y C 2.187 178.047 175.900 -0.067 0.000 1.114 726 Y CA 1.087 59.178 58.100 -0.015 0.000 1.235 726 Y CB 0.290 38.732 38.460 -0.029 0.000 1.045 726 Y HN 0.074 nan 8.280 nan 0.000 0.554 727 V N -0.197 119.751 119.914 0.057 0.000 2.548 727 V HA -0.298 3.822 4.120 0.001 0.000 0.249 727 V C 2.219 178.260 176.094 -0.090 0.000 1.055 727 V CA 1.682 63.931 62.300 -0.084 0.000 1.065 727 V CB -0.489 31.347 31.823 0.021 0.000 0.681 727 V HN 0.412 nan 8.190 nan 0.000 0.462 728 M N 0.303 119.942 119.600 0.064 0.000 2.082 728 M HA -0.051 4.430 4.480 0.001 0.000 0.258 728 M C 1.320 177.571 176.300 -0.080 0.000 1.071 728 M CA 1.870 57.202 55.300 0.053 0.000 1.103 728 M CB -0.528 32.143 32.600 0.118 0.000 1.307 728 M HN 0.337 nan 8.290 nan 0.000 0.409 729 A N -0.933 121.797 122.820 -0.150 0.000 2.327 729 A HA 0.355 4.675 4.320 0.001 0.000 0.255 729 A C 0.900 178.314 177.584 -0.284 0.000 1.099 729 A CA 0.256 52.159 52.037 -0.223 0.000 0.801 729 A CB 0.137 18.957 19.000 -0.300 0.000 1.062 729 A HN 0.620 nan 8.150 nan 0.000 0.496 730 R N -2.006 118.351 120.500 -0.240 0.000 3.902 730 R HA -0.185 4.155 4.340 0.001 0.000 0.445 730 R C 0.537 176.737 176.300 -0.168 0.000 0.709 730 R CA 2.072 58.050 56.100 -0.204 0.000 1.607 730 R CB -2.269 27.879 30.300 -0.252 0.000 2.233 730 R HN 1.223 nan 8.270 nan 0.000 0.430 731 T N -2.418 112.014 114.554 -0.203 0.000 3.438 731 T HA 0.498 4.849 4.350 0.001 0.000 0.244 731 T C 1.097 175.730 174.700 -0.111 0.000 1.269 731 T CA 0.763 62.760 62.100 -0.171 0.000 1.371 731 T CB 1.032 69.697 68.868 -0.339 0.000 1.002 731 T HN 0.599 nan 8.240 nan 0.000 0.637 732 G N 2.708 111.462 108.800 -0.078 0.000 4.297 732 G HA2 -0.311 3.650 3.960 0.001 0.000 0.359 732 G HA3 -0.311 3.650 3.960 0.001 0.000 0.359 732 G C 0.904 175.780 174.900 -0.041 0.000 1.454 732 G CA 0.513 45.584 45.100 -0.049 0.000 1.272 732 G HN 2.052 nan 8.290 nan 0.000 0.797 733 A N 1.219 124.020 122.820 -0.032 0.000 2.279 733 A HA 0.137 4.458 4.320 0.001 0.000 0.316 733 A C 1.180 178.763 177.584 -0.002 0.000 0.864 733 A CA 1.749 53.777 52.037 -0.014 0.000 1.333 733 A CB -0.539 18.434 19.000 -0.044 0.000 0.677 733 A HN 1.103 nan 8.150 nan 0.000 0.316 734 R N 1.555 122.061 120.500 0.010 0.000 4.302 734 R HA -0.214 4.126 4.340 0.001 0.000 0.123 734 R C 1.315 177.619 176.300 0.007 0.000 0.277 734 R CA 0.787 56.893 56.100 0.010 0.000 0.793 734 R CB -0.883 29.431 30.300 0.022 0.000 1.182 734 R HN 0.950 nan 8.270 nan 0.000 0.337 735 G N -0.284 108.506 108.800 -0.017 0.000 2.834 735 G HA2 -0.072 3.889 3.960 0.001 0.000 0.204 735 G HA3 -0.072 3.889 3.960 0.001 0.000 0.204 735 G C 0.237 175.115 174.900 -0.037 0.000 1.176 735 G CA 0.515 45.596 45.100 -0.033 0.000 0.818 735 G HN 0.485 nan 8.290 nan 0.000 0.638 736 S N -0.374 115.298 115.700 -0.047 0.000 3.749 736 S HA -0.245 4.226 4.470 0.001 0.000 0.348 736 S C 1.804 176.378 174.600 -0.043 0.000 1.045 736 S CA 1.050 59.227 58.200 -0.038 0.000 1.051 736 S CB -1.998 61.191 63.200 -0.018 0.000 0.898 736 S HN 1.970 nan 8.310 nan 0.000 0.472 737 V N -1.030 118.836 119.914 -0.081 0.000 2.541 737 V HA -0.362 3.758 4.120 0.001 0.000 0.197 737 V C 1.638 177.709 176.094 -0.037 0.000 0.970 737 V CA 2.300 64.543 62.300 -0.095 0.000 1.112 737 V CB -1.350 30.416 31.823 -0.096 0.000 1.055 737 V HN 0.686 nan 8.190 nan 0.000 0.484 738 L N 2.982 124.196 121.223 -0.016 0.000 2.798 738 L HA 0.088 4.429 4.340 0.001 0.000 0.254 738 L C 1.609 178.492 176.870 0.023 0.000 1.176 738 L CA 1.745 56.590 54.840 0.007 0.000 0.991 738 L CB -1.571 40.491 42.059 0.005 0.000 1.225 738 L HN 1.033 nan 8.230 nan 0.000 0.420 739 N N -1.687 117.031 118.700 0.030 0.000 2.168 739 N HA -0.043 4.697 4.740 0.001 0.000 0.216 739 N C 1.273 176.833 175.510 0.084 0.000 1.259 739 N CA -0.099 52.989 53.050 0.063 0.000 0.902 739 N CB 0.140 38.660 38.487 0.056 0.000 1.079 739 N HN 0.017 nan 8.380 nan 0.000 0.507 740 I N 1.728 122.336 120.570 0.063 0.000 2.252 740 I HA -0.118 4.053 4.170 0.001 0.000 0.245 740 I C 1.660 177.837 176.117 0.101 0.000 1.102 740 I CA 1.142 62.498 61.300 0.093 0.000 1.385 740 I CB -1.538 36.526 38.000 0.106 0.000 1.064 740 I HN 0.113 nan 8.210 nan 0.000 0.414 741 T N 0.896 115.496 114.554 0.077 0.000 2.665 741 T HA -0.255 4.095 4.350 0.001 0.000 0.268 741 T C 1.918 176.628 174.700 0.016 0.000 1.035 741 T CA 1.489 63.618 62.100 0.048 0.000 1.151 741 T CB -0.288 68.599 68.868 0.031 0.000 0.862 741 T HN 0.401 nan 8.240 nan 0.000 0.438 742 Q N 0.059 119.879 119.800 0.033 0.000 2.096 742 Q HA -0.039 4.302 4.340 0.001 0.000 0.204 742 Q C 2.421 178.446 176.000 0.041 0.000 0.982 742 Q CA 1.320 57.119 55.803 -0.007 0.000 0.850 742 Q CB -0.248 28.577 28.738 0.145 0.000 0.901 742 Q HN 0.568 nan 8.270 nan 0.000 0.422 743 M N -0.948 118.789 119.600 0.227 0.000 2.254 743 M HA -0.076 4.404 4.480 0.001 0.000 0.265 743 M C 2.090 178.465 176.300 0.124 0.000 1.066 743 M CA 1.224 56.695 55.300 0.286 0.000 1.123 743 M CB -0.033 32.699 32.600 0.220 0.000 1.388 743 M HN 0.190 nan 8.290 nan 0.000 0.425 744 A N -0.124 122.740 122.820 0.072 0.000 1.909 744 A HA 0.374 4.695 4.320 0.001 0.000 0.210 744 A C 2.162 179.742 177.584 -0.007 0.000 1.273 744 A CA 0.990 53.052 52.037 0.042 0.000 0.654 744 A CB -0.733 18.302 19.000 0.058 0.000 0.945 744 A HN 0.357 nan 8.150 nan 0.000 0.471 745 A N -0.260 122.545 122.820 -0.024 0.000 1.878 745 A HA 0.573 4.894 4.320 0.001 0.000 0.215 745 A C 0.901 178.428 177.584 -0.095 0.000 1.310 745 A CA 1.467 53.470 52.037 -0.056 0.000 0.612 745 A CB -0.311 18.668 19.000 -0.036 0.000 0.989 745 A HN 0.930 nan 8.150 nan 0.000 0.472 746 M N -2.772 116.747 119.600 -0.134 0.000 2.603 746 M HA 0.449 4.929 4.480 0.001 0.000 0.275 746 M C -0.761 175.343 176.300 -0.327 0.000 1.226 746 M CA -0.540 54.620 55.300 -0.233 0.000 0.870 746 M CB 1.531 34.004 32.600 -0.213 0.000 1.716 746 M HN 0.055 nan 8.290 nan 0.000 0.482 747 L N 0.950 121.889 121.223 -0.473 0.000 2.270 747 L HA 0.369 4.710 4.340 0.001 0.000 0.210 747 L C 1.191 177.810 176.870 -0.418 0.000 1.104 747 L CA 1.154 55.702 54.840 -0.487 0.000 0.804 747 L CB -0.827 40.870 42.059 -0.604 0.000 0.937 747 L HN 1.172 nan 8.230 nan 0.000 0.450 748 G N 0.532 108.940 108.800 -0.654 0.000 2.693 748 G HA2 -0.328 3.632 3.960 0.001 0.000 0.226 748 G HA3 -0.328 3.632 3.960 0.001 0.000 0.226 748 G C -0.385 174.134 174.900 -0.635 0.000 1.354 748 G CA -0.251 44.433 45.100 -0.693 0.000 0.873 748 G HN 0.275 nan 8.290 nan 0.000 0.562 749 Q N 0.779 120.490 119.800 -0.148 0.000 2.323 749 Q HA 0.475 4.815 4.340 0.001 0.000 0.257 749 Q C 0.646 176.633 176.000 -0.022 0.000 1.022 749 Q CA -0.005 55.807 55.803 0.014 0.000 0.919 749 Q CB 0.480 29.336 28.738 0.196 0.000 1.220 749 Q HN 0.512 nan 8.270 nan 0.000 0.427 750 Q N 1.867 121.651 119.800 -0.026 0.000 2.354 750 Q HA 0.418 4.758 4.340 0.001 0.000 0.244 750 Q C -0.619 175.406 176.000 0.043 0.000 0.969 750 Q CA 0.008 55.836 55.803 0.041 0.000 0.885 750 Q CB 1.395 30.202 28.738 0.115 0.000 1.241 750 Q HN 0.832 nan 8.270 nan 0.000 0.461 751 S N -1.464 114.261 115.700 0.043 0.000 2.550 751 S HA 0.606 5.076 4.470 0.001 0.000 0.270 751 S C -0.571 174.043 174.600 0.023 0.000 1.145 751 S CA -1.004 57.215 58.200 0.032 0.000 0.852 751 S CB 1.270 64.479 63.200 0.016 0.000 1.119 751 S HN 0.422 nan 8.310 nan 0.000 0.465 752 V N -0.499 119.427 119.914 0.019 0.000 2.370 752 V HA 0.684 4.805 4.120 0.001 0.000 0.283 752 V C 0.323 176.416 176.094 -0.001 0.000 1.023 752 V CA -0.983 61.320 62.300 0.005 0.000 0.857 752 V CB 0.423 32.249 31.823 0.005 0.000 0.985 752 V HN 1.061 nan 8.190 nan 0.000 0.443 753 R N 3.954 124.450 120.500 -0.007 0.000 3.038 753 R HA -0.213 4.128 4.340 0.001 0.000 0.242 753 R C 1.306 177.600 176.300 -0.009 0.000 0.866 753 R CA 0.863 56.957 56.100 -0.010 0.000 0.601 753 R CB -1.575 28.717 30.300 -0.012 0.000 1.107 753 R HN 1.895 nan 8.270 nan 0.000 0.492 754 G N -0.508 108.287 108.800 -0.008 0.000 4.391 754 G HA2 -0.313 3.648 3.960 0.001 0.000 0.210 754 G HA3 -0.313 3.648 3.960 0.001 0.000 0.210 754 G C 0.081 174.974 174.900 -0.012 0.000 1.547 754 G CA 0.260 45.353 45.100 -0.011 0.000 1.103 754 G HN 0.445 nan 8.290 nan 0.000 0.637 755 E N 0.999 121.192 120.200 -0.012 0.000 2.330 755 E HA 0.615 4.965 4.350 0.001 0.000 0.256 755 E C 0.737 177.334 176.600 -0.005 0.000 1.146 755 E CA -0.919 55.472 56.400 -0.015 0.000 0.945 755 E CB 0.764 30.452 29.700 -0.021 0.000 1.182 755 E HN 0.427 nan 8.360 nan 0.000 0.480 756 R N 0.326 120.821 120.500 -0.009 0.000 2.893 756 R HA 0.161 4.502 4.340 0.001 0.000 0.279 756 R C 0.082 176.398 176.300 0.027 0.000 1.076 756 R CA -0.069 56.032 56.100 0.001 0.000 1.203 756 R CB 0.040 30.327 30.300 -0.021 0.000 1.137 756 R HN 0.410 nan 8.270 nan 0.000 0.541 757 I N 1.799 122.405 120.570 0.060 0.000 2.363 757 I HA 0.025 4.196 4.170 0.001 0.000 0.292 757 I C 0.933 177.124 176.117 0.124 0.000 1.075 757 I CA 0.601 61.978 61.300 0.128 0.000 1.333 757 I CB 0.631 38.799 38.000 0.280 0.000 1.415 757 I HN 0.501 nan 8.210 nan 0.000 0.502 758 K N 4.131 124.585 120.400 0.089 0.000 2.511 758 K HA 0.260 4.580 4.320 0.001 0.000 0.209 758 K C 0.472 177.109 176.600 0.062 0.000 1.301 758 K CA -0.323 56.005 56.287 0.068 0.000 0.967 758 K CB 0.580 33.098 32.500 0.031 0.000 1.109 758 K HN 0.375 nan 8.250 nan 0.000 0.561 759 R N 0.791 121.323 120.500 0.052 0.000 2.351 759 R HA 0.154 4.494 4.340 0.001 0.000 0.318 759 R C 0.186 176.479 176.300 -0.011 0.000 1.055 759 R CA 0.657 56.766 56.100 0.015 0.000 0.968 759 R CB 0.904 31.208 30.300 0.008 0.000 0.974 759 R HN 0.402 nan 8.270 nan 0.000 0.439 760 G N 2.711 111.453 108.800 -0.097 0.000 3.249 760 G HA2 -0.006 3.955 3.960 0.001 0.000 0.124 760 G HA3 -0.006 3.955 3.960 0.001 0.000 0.124 760 G C -1.296 173.295 174.900 -0.516 0.000 1.128 760 G CA -0.303 44.599 45.100 -0.330 0.000 1.461 760 G HN 0.435 nan 8.290 nan 0.000 0.683 761 Y N 0.546 120.851 120.300 0.008 0.000 2.528 761 Y HA 0.605 5.155 4.550 0.001 0.000 0.335 761 Y C 1.880 177.759 175.900 -0.034 0.000 1.093 761 Y CA -0.885 57.204 58.100 -0.019 0.000 1.134 761 Y CB 1.636 40.074 38.460 -0.037 0.000 1.253 761 Y HN 0.212 nan 8.280 nan 0.000 0.478 762 M N -0.122 119.548 119.600 0.116 0.000 2.337 762 M HA -0.168 4.312 4.480 0.001 0.000 0.261 762 M C 0.806 177.073 176.300 -0.055 0.000 1.067 762 M CA 2.011 57.328 55.300 0.027 0.000 1.074 762 M CB -0.575 32.041 32.600 0.026 0.000 1.395 762 M HN 0.807 nan 8.290 nan 0.000 0.431 763 T N -1.165 113.349 114.554 -0.068 0.000 3.087 763 T HA 0.186 4.536 4.350 0.001 0.000 0.237 763 T C 0.498 175.107 174.700 -0.152 0.000 0.990 763 T CA 0.235 62.174 62.100 -0.269 0.000 1.160 763 T CB 0.234 68.939 68.868 -0.272 0.000 0.923 763 T HN 0.231 nan 8.240 nan 0.000 0.442 764 R N 0.555 121.083 120.500 0.045 0.000 2.867 764 R HA 0.658 4.999 4.340 0.001 0.000 0.268 764 R C 0.797 177.253 176.300 0.259 0.000 1.014 764 R CA -0.550 55.639 56.100 0.148 0.000 0.946 764 R CB -0.014 30.412 30.300 0.209 0.000 1.208 764 R HN -0.134 nan 8.270 nan 0.000 0.477 765 T N -0.018 114.701 114.554 0.275 0.000 2.812 765 T HA 0.108 4.458 4.350 0.001 0.000 0.264 765 T C 0.362 175.227 174.700 0.274 0.000 1.042 765 T CA 0.938 63.196 62.100 0.262 0.000 1.140 765 T CB 0.049 69.137 68.868 0.366 0.000 0.870 765 T HN 0.003 nan 8.240 nan 0.000 0.445 766 L N 0.830 122.338 121.223 0.476 0.000 2.350 766 L HA 0.410 4.750 4.340 0.001 0.000 0.260 766 L C -2.303 174.648 176.870 0.134 0.000 1.015 766 L CA -2.421 52.611 54.840 0.319 0.000 0.821 766 L CB 1.696 43.908 42.059 0.254 0.000 1.370 766 L HN -0.139 nan 8.230 nan 0.000 0.416 767 P HA 0.181 nan 4.420 nan 0.000 0.243 767 P C -0.119 176.745 177.300 -0.728 0.000 1.668 767 P CA 0.255 63.031 63.100 -0.541 0.000 0.898 767 P CB -0.245 31.089 31.700 -0.611 0.000 1.637 768 H N -2.212 116.696 119.070 -0.271 0.000 3.078 768 H HA 0.342 4.899 4.556 0.001 0.000 0.263 768 H C -0.122 174.872 175.328 -0.557 0.000 1.177 768 H CA -0.182 55.603 56.048 -0.439 0.000 1.128 768 H CB 0.006 29.433 29.762 -0.558 0.000 1.623 768 H HN 0.077 nan 8.280 nan 0.000 0.592 769 F N 1.130 121.147 119.950 0.113 0.000 2.522 769 F HA 0.392 4.919 4.527 0.001 0.000 0.324 769 F C 0.261 176.094 175.800 0.055 0.000 1.077 769 F CA -1.429 56.635 58.000 0.106 0.000 0.944 769 F CB 1.550 40.636 39.000 0.143 0.000 1.175 769 F HN -0.233 nan 8.300 nan 0.000 0.468 770 K N 2.628 123.176 120.400 0.246 0.000 2.448 770 K HA 0.146 4.466 4.320 0.001 0.000 0.278 770 K C -2.432 174.258 176.600 0.150 0.000 1.009 770 K CA -1.422 54.955 56.287 0.150 0.000 0.995 770 K CB 0.091 32.669 32.500 0.131 0.000 0.917 770 K HN 0.174 nan 8.250 nan 0.000 0.481 771 P HA -0.154 nan 4.420 nan 0.000 0.259 771 P C -1.152 176.277 177.300 0.216 0.000 1.163 771 P CA 0.697 63.855 63.100 0.097 0.000 0.760 771 P CB 0.009 31.782 31.700 0.122 0.000 0.762 772 Y N -0.388 119.958 120.300 0.076 0.000 3.038 772 Y HA -0.222 4.329 4.550 0.001 0.000 0.176 772 Y C 0.455 176.391 175.900 0.060 0.000 1.628 772 Y CA 0.570 58.709 58.100 0.065 0.000 1.020 772 Y CB -1.722 36.772 38.460 0.058 0.000 1.423 772 Y HN 0.387 nan 8.280 nan 0.000 0.418 773 D N 1.330 121.813 120.400 0.137 0.000 2.344 773 D HA 0.552 5.193 4.640 0.001 0.000 0.239 773 D C 0.632 176.944 176.300 0.021 0.000 1.064 773 D CA -0.411 53.640 54.000 0.085 0.000 0.829 773 D CB 0.777 41.625 40.800 0.081 0.000 1.129 773 D HN 0.378 nan 8.370 nan 0.000 0.506 774 I N 1.211 121.791 120.570 0.017 0.000 4.154 774 I HA 0.021 4.191 4.170 0.001 0.000 0.334 774 I C 1.034 177.120 176.117 -0.053 0.000 1.371 774 I CA -0.296 60.992 61.300 -0.020 0.000 1.110 774 I CB 0.245 38.245 38.000 -0.001 0.000 1.085 774 I HN 0.181 nan 8.210 nan 0.000 0.398 775 S N 1.839 117.512 115.700 -0.045 0.000 2.568 775 S HA 0.163 4.633 4.470 0.001 0.000 0.282 775 S C -1.551 172.999 174.600 -0.083 0.000 1.338 775 S CA -0.791 57.382 58.200 -0.044 0.000 1.045 775 S CB 0.645 63.841 63.200 -0.007 0.000 0.873 775 S HN -0.086 nan 8.310 nan 0.000 0.516 776 P HA -0.180 nan 4.420 nan 0.000 0.218 776 P C 1.129 178.405 177.300 -0.039 0.000 1.154 776 P CA 1.650 64.698 63.100 -0.086 0.000 0.872 776 P CB -0.021 31.590 31.700 -0.149 0.000 0.790 777 E N -0.341 119.900 120.200 0.069 0.000 2.058 777 E HA -0.137 4.213 4.350 0.001 0.000 0.194 777 E C 2.020 178.410 176.600 -0.350 0.000 0.997 777 E CA 1.622 58.067 56.400 0.076 0.000 0.801 777 E CB -1.151 28.672 29.700 0.205 0.000 0.746 777 E HN 0.179 nan 8.360 nan 0.000 0.450 778 A N 0.192 122.656 122.820 -0.593 0.000 2.235 778 A HA 0.008 4.329 4.320 0.001 0.000 0.208 778 A C 1.341 178.488 177.584 -0.729 0.000 1.172 778 A CA 0.568 51.819 52.037 -1.309 0.000 0.786 778 A CB 0.047 18.484 19.000 -0.938 0.000 0.804 778 A HN -0.038 nan 8.150 nan 0.000 0.479 779 R N -2.327 117.835 120.500 -0.563 0.000 2.521 779 R HA 0.230 4.570 4.340 0.001 0.000 0.289 779 R C 1.012 176.989 176.300 -0.538 0.000 0.936 779 R CA 0.903 56.787 56.100 -0.360 0.000 1.089 779 R CB 0.643 30.833 30.300 -0.183 0.000 1.348 779 R HN 0.694 nan 8.270 nan 0.000 0.536 780 G N 0.835 109.047 108.800 -0.980 0.000 2.370 780 G HA2 -0.201 3.760 3.960 0.001 0.000 0.174 780 G HA3 -0.201 3.760 3.960 0.001 0.000 0.174 780 G C -0.366 174.306 174.900 -0.381 0.000 1.002 780 G CA -0.590 43.957 45.100 -0.922 0.000 0.730 780 G HN 0.166 nan 8.290 nan 0.000 0.497 781 F N 2.731 122.433 119.950 -0.414 0.000 2.502 781 F HA 0.642 5.169 4.527 0.001 0.000 0.371 781 F C 0.521 176.112 175.800 -0.348 0.000 1.083 781 F CA -0.540 57.248 58.000 -0.354 0.000 1.174 781 F CB 0.312 39.075 39.000 -0.396 0.000 1.096 781 F HN 0.014 nan 8.300 nan 0.000 0.545 782 I N 8.366 128.463 120.570 -0.788 0.000 2.304 782 I HA 0.075 4.246 4.170 0.001 0.000 0.291 782 I C -0.122 175.594 176.117 -0.669 0.000 1.018 782 I CA -0.249 60.759 61.300 -0.487 0.000 1.260 782 I CB 0.884 38.690 38.000 -0.324 0.000 1.390 782 I HN 0.701 nan 8.210 nan 0.000 0.475 783 Y N 3.095 123.280 120.300 -0.192 0.000 2.314 783 Y HA -0.069 4.481 4.550 0.001 0.000 0.294 783 Y C 1.888 177.746 175.900 -0.071 0.000 1.119 783 Y CA 0.298 58.367 58.100 -0.053 0.000 1.179 783 Y CB -0.014 38.531 38.460 0.142 0.000 1.025 783 Y HN 0.584 nan 8.280 nan 0.000 0.541 784 S N 0.177 115.922 115.700 0.075 0.000 2.624 784 S HA 0.418 4.889 4.470 0.001 0.000 0.263 784 S C 0.287 174.795 174.600 -0.153 0.000 1.287 784 S CA -0.439 57.767 58.200 0.011 0.000 0.990 784 S CB 1.405 64.630 63.200 0.041 0.000 0.950 784 S HN 0.247 nan 8.310 nan 0.000 0.561 785 S N -0.249 115.366 115.700 -0.142 0.000 2.766 785 S HA 0.542 5.013 4.470 0.001 0.000 0.307 785 S C 0.329 174.795 174.600 -0.224 0.000 1.121 785 S CA -0.973 57.074 58.200 -0.256 0.000 0.980 785 S CB -0.066 63.061 63.200 -0.121 0.000 1.159 785 S HN 0.612 nan 8.310 nan 0.000 0.546 786 F N 0.210 120.132 119.950 -0.047 0.000 2.451 786 F HA 0.082 4.610 4.527 0.001 0.000 0.299 786 F C 2.788 178.584 175.800 -0.006 0.000 1.101 786 F CA 0.125 58.106 58.000 -0.033 0.000 1.436 786 F CB -0.069 38.911 39.000 -0.033 0.000 1.074 786 F HN 0.368 nan 8.300 nan 0.000 0.553 787 R N 0.488 121.074 120.500 0.142 0.000 2.055 787 R HA -0.040 4.300 4.340 0.001 0.000 0.226 787 R C 2.108 178.452 176.300 0.073 0.000 1.135 787 R CA 1.794 57.952 56.100 0.097 0.000 0.959 787 R CB -1.110 29.232 30.300 0.070 0.000 0.854 787 R HN 0.136 nan 8.270 nan 0.000 0.431 788 T N -0.763 113.824 114.554 0.055 0.000 2.851 788 T HA 0.200 4.551 4.350 0.001 0.000 0.262 788 T C 0.756 175.489 174.700 0.056 0.000 1.043 788 T CA 1.034 63.168 62.100 0.055 0.000 1.140 788 T CB -0.160 68.745 68.868 0.061 0.000 0.872 788 T HN 0.525 nan 8.240 nan 0.000 0.446 789 G N 0.743 109.574 108.800 0.052 0.000 2.592 789 G HA2 0.080 4.040 3.960 0.001 0.000 0.685 789 G HA3 0.080 4.040 3.960 0.001 0.000 0.685 789 G C -1.202 173.723 174.900 0.042 0.000 1.278 789 G CA -1.146 43.991 45.100 0.061 0.000 0.822 789 G HN 0.241 nan 8.290 nan 0.000 0.652 790 L N 1.179 122.434 121.223 0.053 0.000 2.417 790 L HA 0.352 4.693 4.340 0.001 0.000 0.268 790 L C 1.328 178.243 176.870 0.075 0.000 1.158 790 L CA -0.015 54.857 54.840 0.052 0.000 0.819 790 L CB 1.133 43.239 42.059 0.080 0.000 1.112 790 L HN 0.678 nan 8.230 nan 0.000 0.458 791 K N 3.215 123.669 120.400 0.091 0.000 2.180 791 K HA 0.104 4.425 4.320 0.001 0.000 0.251 791 K C -1.407 175.245 176.600 0.086 0.000 1.014 791 K CA -1.221 55.118 56.287 0.087 0.000 0.913 791 K CB 0.523 33.091 32.500 0.114 0.000 1.008 791 K HN 0.303 nan 8.250 nan 0.000 0.490 792 P HA -0.227 nan 4.420 nan 0.000 0.216 792 P C 1.009 178.308 177.300 -0.001 0.000 1.153 792 P CA 1.635 64.728 63.100 -0.012 0.000 0.858 792 P CB 0.022 31.660 31.700 -0.103 0.000 0.789 793 T N -2.695 111.870 114.554 0.019 0.000 2.812 793 T HA -0.104 4.246 4.350 0.001 0.000 0.264 793 T C 1.700 176.595 174.700 0.327 0.000 1.042 793 T CA 1.030 63.204 62.100 0.124 0.000 1.140 793 T CB -1.036 68.020 68.868 0.313 0.000 0.870 793 T HN 0.191 nan 8.240 nan 0.000 0.445 794 E N 0.809 121.249 120.200 0.399 0.000 2.153 794 E HA -0.034 4.317 4.350 0.001 0.000 0.194 794 E C 2.004 178.806 176.600 0.338 0.000 0.988 794 E CA 0.766 57.433 56.400 0.446 0.000 0.811 794 E CB -0.288 29.562 29.700 0.251 0.000 0.746 794 E HN 0.292 nan 8.360 nan 0.000 0.466 795 L N -0.041 121.326 121.223 0.241 0.000 2.201 795 L HA -0.111 4.230 4.340 0.001 0.000 0.212 795 L C 1.837 178.841 176.870 0.223 0.000 1.105 795 L CA 1.323 56.297 54.840 0.222 0.000 0.775 795 L CB -0.216 41.943 42.059 0.167 0.000 0.913 795 L HN 0.043 nan 8.230 nan 0.000 0.440 796 F N -1.137 118.813 119.950 -0.001 0.000 2.187 796 F HA -0.099 4.428 4.527 0.001 0.000 0.295 796 F C 1.992 177.741 175.800 -0.085 0.000 1.091 796 F CA 1.339 59.271 58.000 -0.114 0.000 1.308 796 F CB -0.342 38.492 39.000 -0.277 0.000 1.030 796 F HN 0.035 nan 8.300 nan 0.000 0.487 797 F N -1.085 119.019 119.950 0.256 0.000 2.216 797 F HA -0.214 4.313 4.527 0.001 0.000 0.300 797 F C 2.573 178.432 175.800 0.098 0.000 1.085 797 F CA 1.555 59.647 58.000 0.154 0.000 1.326 797 F CB -0.753 38.350 39.000 0.172 0.000 1.027 797 F HN 0.071 nan 8.300 nan 0.000 0.497 798 H N 0.347 119.526 119.070 0.183 0.000 2.357 798 H HA -0.029 4.527 4.556 0.001 0.000 0.301 798 H C 2.111 177.456 175.328 0.029 0.000 1.082 798 H CA 1.302 57.408 56.048 0.098 0.000 1.342 798 H CB -0.397 29.432 29.762 0.113 0.000 1.389 798 H HN 0.115 nan 8.280 nan 0.000 0.511 799 A N 0.856 123.600 122.820 -0.126 0.000 1.902 799 A HA -0.055 4.266 4.320 0.001 0.000 0.217 799 A C 2.646 180.082 177.584 -0.246 0.000 1.181 799 A CA 1.797 53.682 52.037 -0.254 0.000 0.623 799 A CB -1.318 17.521 19.000 -0.270 0.000 0.818 799 A HN 0.590 nan 8.150 nan 0.000 0.443 800 A N -0.516 122.164 122.820 -0.232 0.000 1.940 800 A HA 0.100 4.420 4.320 0.001 0.000 0.219 800 A C 2.367 179.901 177.584 -0.082 0.000 1.176 800 A CA 1.989 53.926 52.037 -0.167 0.000 0.631 800 A CB -1.282 17.654 19.000 -0.107 0.000 0.814 800 A HN 0.698 nan 8.150 nan 0.000 0.446 801 G N -0.674 108.100 108.800 -0.043 0.000 2.404 801 G HA2 0.082 4.042 3.960 0.001 0.000 0.215 801 G HA3 0.082 4.042 3.960 0.001 0.000 0.215 801 G C 1.508 176.365 174.900 -0.072 0.000 1.174 801 G CA 1.067 46.156 45.100 -0.019 0.000 0.780 801 G HN 0.716 nan 8.290 nan 0.000 0.537 802 G N 0.136 108.837 108.800 -0.165 0.000 2.498 802 G HA2 -0.134 3.827 3.960 0.001 0.000 0.219 802 G HA3 -0.134 3.827 3.960 0.001 0.000 0.219 802 G C 1.804 176.628 174.900 -0.127 0.000 1.119 802 G CA 0.847 45.839 45.100 -0.180 0.000 0.766 802 G HN 0.422 nan 8.290 nan 0.000 0.552 803 R N 0.362 120.788 120.500 -0.123 0.000 2.148 803 R HA 0.006 4.346 4.340 0.001 0.000 0.227 803 R C 2.300 178.558 176.300 -0.070 0.000 1.103 803 R CA 1.013 57.053 56.100 -0.100 0.000 0.983 803 R CB -0.042 30.190 30.300 -0.112 0.000 0.874 803 R HN 0.207 nan 8.270 nan 0.000 0.451 804 E N -0.990 119.174 120.200 -0.059 0.000 2.107 804 E HA -0.033 4.317 4.350 0.001 0.000 0.191 804 E C 1.899 178.478 176.600 -0.036 0.000 0.982 804 E CA 1.315 57.691 56.400 -0.041 0.000 0.809 804 E CB -0.517 29.165 29.700 -0.029 0.000 0.756 804 E HN 0.515 nan 8.360 nan 0.000 0.459 805 G N 1.397 110.174 108.800 -0.038 0.000 2.408 805 G HA2 -0.189 3.771 3.960 0.001 0.000 0.217 805 G HA3 -0.189 3.771 3.960 0.001 0.000 0.217 805 G C 1.714 176.593 174.900 -0.035 0.000 1.150 805 G CA 0.423 45.504 45.100 -0.032 0.000 0.776 805 G HN 0.182 nan 8.290 nan 0.000 0.542 806 L N 0.349 121.546 121.223 -0.043 0.000 2.131 806 L HA -0.071 4.270 4.340 0.001 0.000 0.210 806 L C 2.733 179.582 176.870 -0.036 0.000 1.092 806 L CA 0.489 55.304 54.840 -0.042 0.000 0.759 806 L CB -0.369 41.660 42.059 -0.050 0.000 0.903 806 L HN 0.109 nan 8.230 nan 0.000 0.435 807 V N -1.490 118.402 119.914 -0.035 0.000 2.878 807 V HA -0.131 3.989 4.120 0.001 0.000 0.250 807 V C 2.021 178.099 176.094 -0.027 0.000 1.075 807 V CA 1.153 63.434 62.300 -0.031 0.000 1.096 807 V CB -0.253 31.551 31.823 -0.032 0.000 0.724 807 V HN 0.378 nan 8.190 nan 0.000 0.467 808 D N 0.525 120.910 120.400 -0.026 0.000 2.183 808 D HA -0.116 4.525 4.640 0.001 0.000 0.203 808 D C 2.135 178.423 176.300 -0.020 0.000 0.969 808 D CA 1.453 55.440 54.000 -0.022 0.000 0.842 808 D CB 0.253 41.040 40.800 -0.021 0.000 0.957 808 D HN 0.376 nan 8.370 nan 0.000 0.484 809 T N 0.506 115.047 114.554 -0.022 0.000 2.759 809 T HA -0.144 4.206 4.350 0.001 0.000 0.269 809 T C 1.898 176.587 174.700 -0.019 0.000 1.042 809 T CA 1.450 63.537 62.100 -0.021 0.000 1.140 809 T CB -0.126 68.728 68.868 -0.024 0.000 0.864 809 T HN 0.200 nan 8.240 nan 0.000 0.455 810 A N 0.872 123.679 122.820 -0.020 0.000 1.840 810 A HA 0.132 4.452 4.320 0.001 0.000 0.214 810 A C 1.303 178.877 177.584 -0.017 0.000 1.198 810 A CA 0.857 52.883 52.037 -0.019 0.000 0.608 810 A CB -0.200 18.787 19.000 -0.021 0.000 0.839 810 A HN 0.335 nan 8.150 nan 0.000 0.443 811 V N 0.031 119.933 119.914 -0.020 0.000 2.250 811 V HA 0.525 4.645 4.120 0.001 0.000 0.268 811 V C 0.596 176.679 176.094 -0.018 0.000 1.043 811 V CA -0.004 62.283 62.300 -0.021 0.000 0.814 811 V CB 0.255 32.061 31.823 -0.028 0.000 1.072 811 V HN 0.650 nan 8.190 nan 0.000 0.451 812 R N 1.459 121.952 120.500 -0.012 0.000 2.880 812 R HA 0.028 4.369 4.340 0.001 0.000 0.156 812 R C 1.724 178.026 176.300 0.004 0.000 0.884 812 R CA 0.774 56.870 56.100 -0.007 0.000 1.623 812 R CB 0.463 30.759 30.300 -0.008 0.000 1.687 812 R HN 0.527 nan 8.270 nan 0.000 0.538 813 T N 0.748 115.305 114.554 0.005 0.000 2.915 813 T HA -0.069 4.282 4.350 0.001 0.000 0.269 813 T C 1.547 176.264 174.700 0.029 0.000 1.071 813 T CA 1.671 63.781 62.100 0.017 0.000 1.132 813 T CB -0.125 68.751 68.868 0.013 0.000 0.878 813 T HN 0.181 nan 8.240 nan 0.000 0.479 814 S N 1.645 117.352 115.700 0.012 0.000 2.392 814 S HA -0.235 4.236 4.470 0.001 0.000 0.232 814 S C 2.114 176.720 174.600 0.010 0.000 1.041 814 S CA 1.425 59.626 58.200 0.001 0.000 1.026 814 S CB -0.273 62.908 63.200 -0.031 0.000 0.845 814 S HN 0.583 nan 8.310 nan 0.000 0.465 815 Q N -0.034 119.776 119.800 0.016 0.000 2.178 815 Q HA 0.144 4.485 4.340 0.001 0.000 0.195 815 Q C 2.528 178.587 176.000 0.097 0.000 0.960 815 Q CA 0.929 56.755 55.803 0.037 0.000 0.843 815 Q CB -0.334 28.409 28.738 0.008 0.000 0.927 815 Q HN 0.416 nan 8.270 nan 0.000 0.487 816 S N 0.001 115.739 115.700 0.063 0.000 2.368 816 S HA -0.125 4.346 4.470 0.001 0.000 0.225 816 S C 1.925 176.567 174.600 0.071 0.000 1.030 816 S CA 1.461 59.696 58.200 0.058 0.000 0.999 816 S CB -0.633 62.587 63.200 0.033 0.000 0.844 816 S HN 0.545 nan 8.310 nan 0.000 0.459 817 G N -0.921 107.925 108.800 0.076 0.000 2.422 817 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 817 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 817 G C 1.278 176.235 174.900 0.095 0.000 1.140 817 G CA 0.825 45.968 45.100 0.071 0.000 0.775 817 G HN 0.626 nan 8.290 nan 0.000 0.545 818 Y N 0.154 120.455 120.300 0.001 0.000 2.352 818 Y HA 0.133 4.683 4.550 0.001 0.000 0.292 818 Y C 2.489 178.389 175.900 -0.000 0.000 1.136 818 Y CA 1.490 59.590 58.100 -0.000 0.000 1.227 818 Y CB 0.119 38.578 38.460 -0.002 0.000 0.991 818 Y HN 0.200 nan 8.280 nan 0.000 0.545 819 M N -0.537 119.124 119.600 0.101 0.000 2.465 819 M HA -0.020 4.461 4.480 0.001 0.000 0.249 819 M C 1.646 177.945 176.300 -0.002 0.000 1.130 819 M CA 0.695 56.016 55.300 0.034 0.000 1.067 819 M CB 0.212 32.859 32.600 0.079 0.000 1.394 819 M HN 0.266 nan 8.290 nan 0.000 0.483 820 Q N 0.770 120.572 119.800 0.003 0.000 2.230 820 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 820 Q C 1.916 177.896 176.000 -0.033 0.000 0.963 820 Q CA 1.522 57.323 55.803 -0.003 0.000 0.866 820 Q CB -0.113 28.633 28.738 0.013 0.000 0.931 820 Q HN 0.449 nan 8.270 nan 0.000 0.452 821 R N -0.703 119.754 120.500 -0.072 0.000 2.119 821 R HA 0.074 4.414 4.340 0.001 0.000 0.222 821 R C 1.982 178.211 176.300 -0.119 0.000 1.088 821 R CA 0.626 56.664 56.100 -0.104 0.000 0.984 821 R CB 0.134 30.341 30.300 -0.156 0.000 0.884 821 R HN 0.155 nan 8.270 nan 0.000 0.447 822 R N 0.331 120.746 120.500 -0.140 0.000 2.115 822 R HA -0.077 4.264 4.340 0.001 0.000 0.226 822 R C 1.848 178.108 176.300 -0.067 0.000 1.100 822 R CA 1.033 57.060 56.100 -0.123 0.000 0.980 822 R CB -0.023 30.201 30.300 -0.127 0.000 0.875 822 R HN 0.193 nan 8.270 nan 0.000 0.445 823 L N -2.115 119.081 121.223 -0.044 0.000 2.529 823 L HA 0.200 4.541 4.340 0.001 0.000 0.223 823 L C 1.757 178.616 176.870 -0.018 0.000 1.113 823 L CA 0.962 55.788 54.840 -0.022 0.000 0.861 823 L CB -0.415 41.640 42.059 -0.006 0.000 1.012 823 L HN -0.059 nan 8.230 nan 0.000 0.461 824 I N 0.017 120.571 120.570 -0.027 0.000 2.928 824 I HA -0.060 4.110 4.170 0.001 0.000 0.266 824 I C 1.849 177.951 176.117 -0.025 0.000 1.234 824 I CA 0.697 61.983 61.300 -0.023 0.000 1.483 824 I CB -0.001 37.985 38.000 -0.025 0.000 1.097 824 I HN 0.415 nan 8.210 nan 0.000 0.455 825 N N -0.002 118.678 118.700 -0.034 0.000 2.356 825 N HA 0.090 4.830 4.740 0.001 0.000 0.178 825 N C 1.675 177.173 175.510 -0.021 0.000 1.075 825 N CA 0.781 53.813 53.050 -0.031 0.000 0.889 825 N CB 0.470 38.927 38.487 -0.049 0.000 0.999 825 N HN 0.300 nan 8.380 nan 0.000 0.464 826 A N 0.286 123.093 122.820 -0.021 0.000 1.975 826 A HA 0.101 4.422 4.320 0.001 0.000 0.215 826 A C 1.529 179.114 177.584 0.003 0.000 1.170 826 A CA 0.782 52.811 52.037 -0.013 0.000 0.656 826 A CB 0.102 19.091 19.000 -0.017 0.000 0.821 826 A HN 0.090 nan 8.150 nan 0.000 0.449 827 L N 0.259 121.485 121.223 0.004 0.000 2.857 827 L HA 0.114 4.455 4.340 0.001 0.000 0.249 827 L C 2.125 179.000 176.870 0.008 0.000 1.172 827 L CA 0.916 55.764 54.840 0.013 0.000 0.980 827 L CB 0.385 42.454 42.059 0.016 0.000 1.299 827 L HN 0.414 nan 8.230 nan 0.000 0.535 828 S N -1.204 114.500 115.700 0.006 0.000 2.356 828 S HA -0.166 4.304 4.470 0.001 0.000 0.223 828 S C 1.378 175.975 174.600 -0.006 0.000 1.032 828 S CA 1.493 59.691 58.200 -0.003 0.000 1.005 828 S CB -0.230 62.970 63.200 -0.000 0.000 0.867 828 S HN 0.403 nan 8.310 nan 0.000 0.449 829 D N 1.496 121.907 120.400 0.018 0.000 2.347 829 D HA 0.190 4.830 4.640 0.001 0.000 0.213 829 D C 0.267 176.560 176.300 -0.011 0.000 0.985 829 D CA 0.127 54.127 54.000 0.000 0.000 0.879 829 D CB -0.288 40.546 40.800 0.055 0.000 0.919 829 D HN 0.411 nan 8.370 nan 0.000 0.526 830 L N 2.259 123.484 121.223 0.004 0.000 2.500 830 L HA 0.122 4.463 4.340 0.001 0.000 0.272 830 L C 0.875 177.716 176.870 -0.049 0.000 1.149 830 L CA 0.040 54.877 54.840 -0.005 0.000 0.897 830 L CB 0.058 42.125 42.059 0.014 0.000 1.178 830 L HN -0.075 nan 8.230 nan 0.000 0.473 831 R N 3.485 123.945 120.500 -0.066 0.000 2.888 831 R HA 0.887 5.228 4.340 0.001 0.000 0.266 831 R C -0.886 175.335 176.300 -0.130 0.000 1.020 831 R CA -0.816 55.216 56.100 -0.114 0.000 0.963 831 R CB 1.486 31.716 30.300 -0.116 0.000 1.197 831 R HN 0.442 nan 8.270 nan 0.000 0.481 832 A N 1.556 124.258 122.820 -0.197 0.000 2.340 832 A HA 0.424 4.744 4.320 0.001 0.000 0.268 832 A C -0.538 176.930 177.584 -0.192 0.000 1.100 832 A CA -0.597 51.314 52.037 -0.210 0.000 0.803 832 A CB 0.475 19.290 19.000 -0.308 0.000 1.043 832 A HN 0.758 nan 8.150 nan 0.000 0.488 833 E N 0.145 120.263 120.200 -0.137 0.000 2.299 833 E HA 0.284 4.634 4.350 0.001 0.000 0.260 833 E C -0.231 176.305 176.600 -0.108 0.000 0.944 833 E CA -0.554 55.780 56.400 -0.110 0.000 0.815 833 E CB 0.492 30.194 29.700 0.003 0.000 1.252 833 E HN 0.626 nan 8.360 nan 0.000 0.418 834 Y N 0.988 121.276 120.300 -0.019 0.000 2.403 834 Y HA -0.162 4.388 4.550 0.001 0.000 0.291 834 Y C 1.469 177.370 175.900 0.000 0.000 1.143 834 Y CA 1.569 59.662 58.100 -0.012 0.000 1.257 834 Y CB 0.129 38.583 38.460 -0.011 0.000 0.984 834 Y HN 0.394 nan 8.280 nan 0.000 0.550 835 D N -1.609 118.876 120.400 0.143 0.000 2.491 835 D HA 0.180 4.821 4.640 0.001 0.000 0.228 835 D C 1.464 177.807 176.300 0.071 0.000 1.183 835 D CA 0.462 54.520 54.000 0.096 0.000 0.827 835 D CB -0.157 40.693 40.800 0.083 0.000 0.989 835 D HN 0.265 nan 8.370 nan 0.000 0.494 836 G N 0.150 108.985 108.800 0.058 0.000 2.143 836 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 836 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 836 G C 0.277 175.222 174.900 0.075 0.000 0.991 836 G CA 0.468 45.608 45.100 0.066 0.000 0.689 836 G HN 0.480 nan 8.290 nan 0.000 0.522 837 T N -0.474 114.110 114.554 0.051 0.000 2.918 837 T HA 0.576 4.926 4.350 0.001 0.000 0.283 837 T C 0.249 174.971 174.700 0.038 0.000 1.001 837 T CA -0.373 61.760 62.100 0.055 0.000 1.041 837 T CB 2.643 71.539 68.868 0.048 0.000 1.028 837 T HN 0.515 nan 8.240 nan 0.000 0.511 838 V N 3.105 123.054 119.914 0.060 0.000 2.284 838 V HA 0.409 4.530 4.120 0.001 0.000 0.274 838 V C 0.108 176.224 176.094 0.038 0.000 1.023 838 V CA -0.687 61.639 62.300 0.042 0.000 0.808 838 V CB 0.246 32.130 31.823 0.102 0.000 1.035 838 V HN 0.673 nan 8.190 nan 0.000 0.445 839 R N 2.458 122.968 120.500 0.017 0.000 2.637 839 R HA 0.636 4.976 4.340 0.001 0.000 0.291 839 R C 0.357 176.670 176.300 0.022 0.000 0.963 839 R CA -0.439 55.678 56.100 0.029 0.000 0.901 839 R CB 2.233 32.550 30.300 0.028 0.000 1.160 839 R HN 0.747 nan 8.270 nan 0.000 0.457 840 S N 1.705 117.438 115.700 0.055 0.000 2.617 840 S HA 0.132 4.602 4.470 0.001 0.000 0.259 840 S C 1.086 175.695 174.600 0.015 0.000 1.301 840 S CA -0.629 57.613 58.200 0.071 0.000 0.984 840 S CB 0.439 63.749 63.200 0.183 0.000 0.954 840 S HN 0.599 nan 8.310 nan 0.000 0.572 841 L N 0.601 121.766 121.223 -0.098 0.000 2.675 841 L HA 0.055 4.395 4.340 0.001 0.000 0.238 841 L C 0.655 177.277 176.870 -0.414 0.000 1.155 841 L CA 0.565 55.243 54.840 -0.271 0.000 0.881 841 L CB -0.779 41.063 42.059 -0.361 0.000 1.008 841 L HN 0.719 nan 8.230 nan 0.000 0.443 842 Y N -1.175 119.122 120.300 -0.005 0.000 2.498 842 Y HA 0.313 4.864 4.550 0.001 0.000 0.259 842 Y C 1.875 177.776 175.900 0.002 0.000 1.086 842 Y CA 0.348 58.447 58.100 -0.002 0.000 1.287 842 Y CB 0.668 39.123 38.460 -0.008 0.000 1.146 842 Y HN 0.093 nan 8.280 nan 0.000 0.523 843 G N 0.442 109.322 108.800 0.134 0.000 2.175 843 G HA2 -0.197 3.763 3.960 0.001 0.000 0.182 843 G HA3 -0.197 3.763 3.960 0.001 0.000 0.182 843 G C -0.452 174.496 174.900 0.080 0.000 1.003 843 G CA -0.555 44.595 45.100 0.084 0.000 0.666 843 G HN 0.304 nan 8.290 nan 0.000 0.506 844 E N 0.676 120.934 120.200 0.096 0.000 2.257 844 E HA 0.436 4.786 4.350 0.001 0.000 0.278 844 E C 0.257 176.892 176.600 0.059 0.000 1.049 844 E CA -0.512 55.929 56.400 0.069 0.000 0.876 844 E CB 2.071 31.808 29.700 0.062 0.000 1.035 844 E HN 0.100 nan 8.360 nan 0.000 0.419 845 V N 5.312 125.256 119.914 0.050 0.000 2.405 845 V HA -0.009 4.111 4.120 0.001 0.000 0.264 845 V C 0.722 176.844 176.094 0.048 0.000 1.048 845 V CA 0.222 62.551 62.300 0.048 0.000 0.966 845 V CB 0.417 32.267 31.823 0.045 0.000 1.015 845 V HN 0.692 nan 8.190 nan 0.000 0.477 846 I N 3.266 123.867 120.570 0.052 0.000 2.556 846 I HA 0.107 4.277 4.170 0.001 0.000 0.251 846 I C 1.106 177.258 176.117 0.058 0.000 1.105 846 I CA 1.077 62.409 61.300 0.053 0.000 1.436 846 I CB 0.183 38.217 38.000 0.057 0.000 1.139 846 I HN 0.589 nan 8.210 nan 0.000 0.438 847 Q N 0.406 120.248 119.800 0.070 0.000 2.303 847 Q HA 0.403 4.743 4.340 0.001 0.000 0.267 847 Q C -1.144 174.900 176.000 0.073 0.000 1.011 847 Q CA -0.472 55.376 55.803 0.076 0.000 0.740 847 Q CB 2.775 31.579 28.738 0.111 0.000 1.250 847 Q HN -0.095 nan 8.270 nan 0.000 0.458 848 V N 2.326 122.275 119.914 0.057 0.000 2.326 848 V HA 0.453 4.574 4.120 0.001 0.000 0.249 848 V C 0.092 176.221 176.094 0.058 0.000 1.114 848 V CA 0.186 62.519 62.300 0.055 0.000 1.028 848 V CB -0.499 31.350 31.823 0.043 0.000 1.170 848 V HN 0.906 nan 8.190 nan 0.000 0.494 849 A N 4.594 127.461 122.820 0.078 0.000 2.435 849 A HA -0.112 4.208 4.320 0.001 0.000 0.686 849 A C -0.690 176.964 177.584 0.117 0.000 0.138 849 A CA -0.723 51.368 52.037 0.090 0.000 0.025 849 A CB -1.554 17.480 19.000 0.057 0.000 3.974 849 A HN 1.289 nan 8.150 nan 0.000 0.548 850 Y N 2.684 123.005 120.300 0.035 0.000 2.544 850 Y HA 0.404 4.955 4.550 0.001 0.000 0.330 850 Y C 1.410 177.340 175.900 0.050 0.000 1.136 850 Y CA 1.024 59.148 58.100 0.040 0.000 1.417 850 Y CB 0.583 39.067 38.460 0.040 0.000 1.229 850 Y HN 2.541 nan 8.280 nan 0.000 0.532 851 G N 5.569 114.009 108.800 -0.601 0.000 2.341 851 G HA2 -0.360 3.601 3.960 0.001 0.000 0.292 851 G HA3 -0.360 3.601 3.960 0.001 0.000 0.292 851 G C 0.483 175.237 174.900 -0.242 0.000 1.021 851 G CA 0.708 45.474 45.100 -0.557 0.000 0.905 851 G HN 0.935 nan 8.290 nan 0.000 0.508 852 D N -1.309 119.018 120.400 -0.122 0.000 4.137 852 D HA -0.202 4.439 4.640 0.001 0.000 0.214 852 D C 1.228 177.515 176.300 -0.022 0.000 1.236 852 D CA 2.156 56.126 54.000 -0.050 0.000 2.360 852 D CB -1.292 39.482 40.800 -0.044 0.000 1.205 852 D HN 0.434 nan 8.370 nan 0.000 0.406 853 D N -0.364 120.018 120.400 -0.031 0.000 2.077 853 D HA 0.129 4.769 4.640 0.001 0.000 0.196 853 D C 1.981 178.313 176.300 0.052 0.000 0.986 853 D CA 3.145 57.153 54.000 0.014 0.000 0.829 853 D CB -0.313 40.498 40.800 0.018 0.000 0.983 853 D HN 0.599 nan 8.370 nan 0.000 0.453 854 G N -1.058 107.787 108.800 0.075 0.000 2.612 854 G HA2 -0.236 3.724 3.960 0.001 0.000 0.200 854 G HA3 -0.236 3.724 3.960 0.001 0.000 0.200 854 G C 0.219 175.278 174.900 0.265 0.000 1.053 854 G CA 0.120 45.321 45.100 0.169 0.000 0.707 854 G HN 0.295 nan 8.290 nan 0.000 0.497 855 V N 2.327 122.366 119.914 0.208 0.000 2.673 855 V HA 0.393 4.514 4.120 0.001 0.000 0.303 855 V C 0.557 176.864 176.094 0.355 0.000 1.046 855 V CA 0.139 62.596 62.300 0.261 0.000 1.126 855 V CB 1.030 32.963 31.823 0.183 0.000 0.934 855 V HN 0.392 nan 8.190 nan 0.000 0.487 856 F N 7.516 127.570 119.950 0.174 0.000 2.424 856 F HA 0.329 4.856 4.527 0.001 0.000 0.356 856 F C -0.858 174.888 175.800 -0.090 0.000 1.110 856 F CA -2.109 55.905 58.000 0.023 0.000 1.161 856 F CB 1.618 40.439 39.000 -0.299 0.000 1.115 856 F HN 0.456 nan 8.300 nan 0.000 0.507 857 P HA -0.297 nan 4.420 nan 0.000 0.218 857 P C 1.639 178.626 177.300 -0.522 0.000 1.146 857 P CA 1.605 64.457 63.100 -0.414 0.000 0.820 857 P CB -0.072 31.398 31.700 -0.384 0.000 0.778 858 M N -1.371 117.663 119.600 -0.942 0.000 2.229 858 M HA -0.139 4.342 4.480 0.001 0.000 0.264 858 M C 1.582 177.756 176.300 -0.210 0.000 1.063 858 M CA 1.761 56.691 55.300 -0.618 0.000 1.114 858 M CB -0.311 31.881 32.600 -0.681 0.000 1.387 858 M HN -0.081 nan 8.290 nan 0.000 0.420 859 Y N -0.248 120.047 120.300 -0.008 0.000 2.490 859 Y HA 0.116 4.666 4.550 0.001 0.000 0.281 859 Y C 1.681 177.624 175.900 0.073 0.000 1.174 859 Y CA -0.490 57.657 58.100 0.078 0.000 1.295 859 Y CB -0.116 38.432 38.460 0.146 0.000 1.062 859 Y HN 0.286 nan 8.280 nan 0.000 0.522 860 S N -0.184 115.589 115.700 0.122 0.000 2.623 860 S HA 0.720 5.191 4.470 0.001 0.000 0.287 860 S C 1.021 175.685 174.600 0.107 0.000 1.123 860 S CA -0.164 58.106 58.200 0.117 0.000 1.016 860 S CB 1.455 64.699 63.200 0.074 0.000 1.233 860 S HN 0.107 nan 8.310 nan 0.000 0.512 861 A N -1.058 121.828 122.820 0.110 0.000 1.993 861 A HA 0.388 4.709 4.320 0.001 0.000 0.202 861 A C 1.681 179.188 177.584 -0.128 0.000 1.461 861 A CA 0.210 52.307 52.037 0.099 0.000 0.824 861 A CB -0.465 18.626 19.000 0.152 0.000 1.024 861 A HN 0.908 nan 8.150 nan 0.000 0.507 862 H N -2.023 117.113 119.070 0.109 0.000 1.762 862 H HA 0.208 4.764 4.556 0.001 0.000 0.147 862 H C 0.875 176.237 175.328 0.057 0.000 1.063 862 H CA 0.441 56.533 56.048 0.074 0.000 1.081 862 H CB 0.113 29.915 29.762 0.066 0.000 0.814 862 H HN 0.485 nan 8.280 nan 0.000 0.296 863 G N 1.522 110.445 108.800 0.206 0.000 2.489 863 G HA2 0.404 4.365 3.960 0.001 0.000 0.327 863 G HA3 0.404 4.365 3.960 0.001 0.000 0.327 863 G C -0.606 174.366 174.900 0.119 0.000 1.189 863 G CA -0.790 44.385 45.100 0.126 0.000 0.962 863 G HN 0.189 nan 8.290 nan 0.000 0.486 864 K N 0.323 120.780 120.400 0.095 0.000 2.366 864 K HA 0.326 4.646 4.320 0.001 0.000 0.279 864 K C -0.624 176.032 176.600 0.093 0.000 1.098 864 K CA 0.297 56.642 56.287 0.097 0.000 1.087 864 K CB -0.591 31.958 32.500 0.082 0.000 0.901 864 K HN 0.446 nan 8.250 nan 0.000 0.463 865 T N 0.770 115.389 114.554 0.109 0.000 1.451 865 T HA -0.127 4.223 4.350 0.001 0.000 0.669 865 T C -0.072 174.684 174.700 0.093 0.000 0.957 865 T CA 0.089 62.246 62.100 0.095 0.000 3.547 865 T CB -1.123 67.785 68.868 0.067 0.000 2.038 865 T HN 0.480 nan 8.240 nan 0.000 0.411 866 V N 4.340 124.324 119.914 0.117 0.000 2.377 866 V HA 0.043 4.163 4.120 0.001 0.000 0.254 866 V C 1.701 177.814 176.094 0.031 0.000 1.060 866 V CA -0.050 62.313 62.300 0.105 0.000 1.068 866 V CB 0.644 32.584 31.823 0.195 0.000 1.113 866 V HN 0.830 nan 8.190 nan 0.000 0.484 867 D N 3.349 123.765 120.400 0.028 0.000 2.190 867 D HA -0.126 4.514 4.640 0.001 0.000 0.200 867 D C 1.695 177.993 176.300 -0.003 0.000 0.992 867 D CA 1.209 55.217 54.000 0.013 0.000 0.854 867 D CB 0.207 41.018 40.800 0.018 0.000 0.936 867 D HN 0.517 nan 8.370 nan 0.000 0.462 868 V N 0.382 120.277 119.914 -0.033 0.000 3.633 868 V HA 0.062 4.183 4.120 0.001 0.000 0.283 868 V C 1.497 177.492 176.094 -0.165 0.000 1.305 868 V CA 0.383 62.637 62.300 -0.076 0.000 1.153 868 V CB -0.386 31.360 31.823 -0.129 0.000 0.950 868 V HN 0.039 nan 8.190 nan 0.000 0.432 869 N N 0.880 119.494 118.700 -0.143 0.000 2.545 869 N HA 0.051 4.792 4.740 0.001 0.000 0.190 869 N C 1.877 177.310 175.510 -0.128 0.000 1.043 869 N CA 0.487 53.384 53.050 -0.254 0.000 0.879 869 N CB 0.129 38.323 38.487 -0.489 0.000 1.210 869 N HN 0.227 nan 8.380 nan 0.000 0.437 870 R N 0.269 120.723 120.500 -0.076 0.000 2.148 870 R HA 0.074 4.414 4.340 0.001 0.000 0.227 870 R C 2.055 178.369 176.300 0.024 0.000 1.103 870 R CA 0.849 56.927 56.100 -0.036 0.000 0.983 870 R CB -0.303 29.982 30.300 -0.024 0.000 0.874 870 R HN 0.344 nan 8.270 nan 0.000 0.451 871 I N -0.171 120.442 120.570 0.072 0.000 2.361 871 I HA -0.232 3.938 4.170 0.001 0.000 0.251 871 I C 0.976 177.178 176.117 0.142 0.000 1.133 871 I CA 1.305 62.667 61.300 0.104 0.000 1.413 871 I CB 0.108 38.184 38.000 0.127 0.000 1.073 871 I HN 0.052 nan 8.210 nan 0.000 0.424 872 F N 1.114 121.020 119.950 -0.075 0.000 2.661 872 F HA -0.003 4.524 4.527 0.001 0.000 0.298 872 F C 2.326 178.081 175.800 -0.075 0.000 1.137 872 F CA 0.749 58.708 58.000 -0.068 0.000 1.454 872 F CB -0.265 38.660 39.000 -0.126 0.000 1.103 872 F HN 0.130 nan 8.300 nan 0.000 0.577 873 E N -0.379 119.856 120.200 0.060 0.000 2.042 873 E HA -0.051 4.299 4.350 0.001 0.000 0.189 873 E C 2.071 178.724 176.600 0.087 0.000 0.974 873 E CA 0.590 57.001 56.400 0.018 0.000 0.806 873 E CB 0.126 29.808 29.700 -0.030 0.000 0.769 873 E HN 0.181 nan 8.360 nan 0.000 0.451 874 R N 0.242 120.790 120.500 0.079 0.000 2.237 874 R HA 0.169 4.509 4.340 0.001 0.000 0.195 874 R C 1.146 177.512 176.300 0.110 0.000 0.956 874 R CA 0.243 56.399 56.100 0.094 0.000 1.029 874 R CB 0.431 30.737 30.300 0.011 0.000 0.972 874 R HN 0.014 nan 8.270 nan 0.000 0.493 875 V N -1.020 118.948 119.914 0.090 0.000 3.770 875 V HA 0.227 4.348 4.120 0.001 0.000 0.288 875 V C 1.873 178.048 176.094 0.136 0.000 1.291 875 V CA -0.423 61.941 62.300 0.108 0.000 0.948 875 V CB 1.057 32.863 31.823 -0.028 0.000 1.269 875 V HN -0.069 nan 8.190 nan 0.000 0.469 876 V N -0.009 119.898 119.914 -0.011 0.000 0.735 876 V HA -0.315 3.805 4.120 0.001 0.000 0.053 876 V C 1.763 177.866 176.094 0.014 0.000 2.562 876 V CA 2.428 64.594 62.300 -0.223 0.000 3.564 876 V CB -1.429 29.871 31.823 -0.872 0.000 1.229 876 V HN 1.230 nan 8.190 nan 0.000 1.090 877 G N -2.550 106.304 108.800 0.090 0.000 2.625 877 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 877 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 877 G C 0.911 175.539 174.900 -0.454 0.000 1.132 877 G CA 1.043 45.989 45.100 -0.255 0.000 0.782 877 G HN 0.749 nan 8.290 nan 0.000 0.538 878 W N -0.424 120.851 121.300 -0.041 0.000 2.773 878 W HA 0.371 5.032 4.660 0.001 0.000 0.297 878 W C 0.775 177.259 176.519 -0.057 0.000 1.050 878 W CA -0.370 56.954 57.345 -0.036 0.000 1.467 878 W CB 0.855 30.292 29.460 -0.039 0.000 0.977 878 W HN 0.055 nan 8.180 nan 0.000 0.573 879 K N 0.000 120.460 120.400 0.100 0.000 2.780 879 K HA 0.000 4.320 4.320 0.001 0.000 0.191 879 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 879 K CB 0.000 32.454 32.500 -0.076 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543