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 2wb1_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 0.000 176.599 176.600 -0.002 0.000 0.988 4 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 4 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 5 N N 1.392 120.091 118.700 -0.001 0.000 2.476 5 N HA 0.494 5.234 4.740 0.001 0.000 0.275 5 N C -0.386 175.123 175.510 -0.001 0.000 1.190 5 N CA -0.392 52.658 53.050 -0.001 0.000 0.977 5 N CB 0.788 39.275 38.487 0.001 0.000 1.200 5 N HN 0.414 nan 8.380 nan 0.000 0.515 6 I N 1.406 121.976 120.570 -0.000 0.000 2.342 6 I HA 0.121 4.291 4.170 0.001 0.000 0.291 6 I C 1.581 177.701 176.117 0.004 0.000 1.010 6 I CA -0.117 61.182 61.300 -0.001 0.000 1.308 6 I CB 1.380 39.380 38.000 0.000 0.000 1.400 6 I HN 0.514 nan 8.210 nan 0.000 0.488 7 K N 4.314 124.716 120.400 0.003 0.000 2.121 7 K HA 0.250 4.571 4.320 0.001 0.000 0.203 7 K C 0.708 177.318 176.600 0.017 0.000 1.041 7 K CA 0.632 56.924 56.287 0.009 0.000 0.969 7 K CB 0.384 32.889 32.500 0.008 0.000 0.799 7 K HN 0.846 nan 8.250 nan 0.000 0.456 8 G N -0.133 108.674 108.800 0.013 0.000 2.634 8 G HA2 0.501 4.461 3.960 0.001 0.000 0.309 8 G HA3 0.501 4.461 3.960 0.001 0.000 0.309 8 G C -1.713 173.184 174.900 -0.006 0.000 1.299 8 G CA -0.835 44.279 45.100 0.023 0.000 0.798 8 G HN 0.079 nan 8.290 nan 0.000 0.490 9 I N 0.330 120.895 120.570 -0.008 0.000 2.569 9 I HA 0.361 4.531 4.170 0.001 0.000 0.290 9 I C -0.516 175.522 176.117 -0.131 0.000 1.088 9 I CA -0.643 60.581 61.300 -0.127 0.000 1.047 9 I CB 2.634 40.504 38.000 -0.216 0.000 1.237 9 I HN 0.156 nan 8.210 nan 0.000 0.421 10 K N 5.600 125.892 120.400 -0.180 0.000 2.234 10 K HA 0.531 4.852 4.320 0.001 0.000 0.277 10 K C -1.200 175.281 176.600 -0.199 0.000 1.038 10 K CA -0.428 55.804 56.287 -0.092 0.000 0.888 10 K CB 1.272 33.746 32.500 -0.043 0.000 1.091 10 K HN 0.269 nan 8.250 nan 0.000 0.467 11 F N 0.620 120.583 119.950 0.023 0.000 2.399 11 F HA 0.588 5.116 4.527 0.001 0.000 0.328 11 F C 1.072 176.889 175.800 0.029 0.000 1.084 11 F CA 0.132 58.149 58.000 0.029 0.000 1.053 11 F CB 2.034 41.056 39.000 0.035 0.000 1.209 11 F HN 0.633 nan 8.300 nan 0.000 0.502 12 G N 1.481 110.419 108.800 0.231 0.000 2.349 12 G HA2 0.470 4.430 3.960 0.001 0.000 0.294 12 G HA3 0.470 4.430 3.960 0.001 0.000 0.294 12 G C -1.977 172.995 174.900 0.119 0.000 1.380 12 G CA -0.954 44.235 45.100 0.148 0.000 0.811 12 G HN 0.500 nan 8.290 nan 0.000 0.519 13 I N 0.553 121.180 120.570 0.095 0.000 2.331 13 I HA 0.301 4.472 4.170 0.001 0.000 0.292 13 I C -0.017 176.127 176.117 0.045 0.000 0.998 13 I CA -0.719 60.608 61.300 0.045 0.000 1.267 13 I CB 1.615 39.534 38.000 -0.135 0.000 1.386 13 I HN 0.286 nan 8.210 nan 0.000 0.476 14 L N 6.814 128.011 121.223 -0.042 0.000 2.477 14 L HA 0.076 4.417 4.340 0.001 0.000 0.272 14 L C 0.646 177.311 176.870 -0.343 0.000 1.157 14 L CA 0.557 55.290 54.840 -0.179 0.000 0.889 14 L CB 0.342 42.325 42.059 -0.127 0.000 1.158 14 L HN 0.744 nan 8.230 nan 0.000 0.473 15 S N 4.965 120.233 115.700 -0.719 0.000 2.545 15 S HA 0.388 4.858 4.470 0.001 0.000 0.275 15 S C -1.743 172.477 174.600 -0.634 0.000 1.299 15 S CA -1.080 56.386 58.200 -1.223 0.000 1.048 15 S CB 0.970 62.983 63.200 -1.978 0.000 0.938 15 S HN 0.541 nan 8.310 nan 0.000 0.496 16 P HA -0.128 nan 4.420 nan 0.000 0.217 16 P C 0.389 177.546 177.300 -0.238 0.000 1.148 16 P CA 1.437 64.396 63.100 -0.235 0.000 0.834 16 P CB -0.057 31.581 31.700 -0.103 0.000 0.783 17 D N -0.526 119.712 120.400 -0.271 0.000 2.077 17 D HA -0.164 4.476 4.640 0.001 0.000 0.193 17 D C 1.946 178.118 176.300 -0.213 0.000 0.989 17 D CA 1.179 55.059 54.000 -0.200 0.000 0.831 17 D CB -0.608 40.090 40.800 -0.172 0.000 0.979 17 D HN 0.265 nan 8.370 nan 0.000 0.449 18 E N 0.415 120.459 120.200 -0.260 0.000 2.048 18 E HA -0.220 4.131 4.350 0.001 0.000 0.202 18 E C 2.307 178.765 176.600 -0.238 0.000 1.021 18 E CA 0.905 57.168 56.400 -0.228 0.000 0.825 18 E CB -0.281 29.264 29.700 -0.257 0.000 0.756 18 E HN 0.298 nan 8.360 nan 0.000 0.454 19 I N 0.825 121.219 120.570 -0.293 0.000 2.103 19 I HA -0.426 3.744 4.170 0.001 0.000 0.241 19 I C 2.629 178.416 176.117 -0.549 0.000 1.036 19 I CA 1.755 62.838 61.300 -0.361 0.000 1.300 19 I CB -0.418 37.394 38.000 -0.313 0.000 1.010 19 I HN 0.105 nan 8.210 nan 0.000 0.406 20 R N 0.623 120.861 120.500 -0.436 0.000 2.070 20 R HA -0.096 4.245 4.340 0.001 0.000 0.233 20 R C 0.869 177.075 176.300 -0.156 0.000 1.137 20 R CA 0.725 56.607 56.100 -0.363 0.000 0.945 20 R CB -0.357 29.833 30.300 -0.183 0.000 0.845 20 R HN 0.111 nan 8.270 nan 0.000 0.430 21 K N 1.133 121.465 120.400 -0.114 0.000 2.441 21 K HA -0.179 4.141 4.320 0.001 0.000 0.273 21 K C 0.654 177.262 176.600 0.013 0.000 1.090 21 K CA 0.647 56.907 56.287 -0.045 0.000 1.158 21 K CB 0.185 32.649 32.500 -0.060 0.000 0.847 21 K HN 0.143 nan 8.250 nan 0.000 0.483 22 M N -0.043 119.578 119.600 0.035 0.000 2.820 22 M HA -0.348 4.132 4.480 0.001 0.000 0.153 22 M C 0.179 176.540 176.300 0.103 0.000 0.690 22 M CA 1.440 56.774 55.300 0.057 0.000 0.582 22 M CB -2.628 29.995 32.600 0.039 0.000 2.135 22 M HN 0.636 nan 8.290 nan 0.000 0.263 23 S N 0.479 116.282 115.700 0.172 0.000 2.598 23 S HA 0.374 4.844 4.470 0.001 0.000 0.256 23 S C 0.534 175.260 174.600 0.209 0.000 1.350 23 S CA -0.210 58.149 58.200 0.265 0.000 0.984 23 S CB 0.909 64.425 63.200 0.527 0.000 0.930 23 S HN 0.386 nan 8.310 nan 0.000 0.577 24 V N -0.709 119.216 119.914 0.018 0.000 2.532 24 V HA 0.660 4.780 4.120 0.001 0.000 0.295 24 V C -0.098 175.869 176.094 -0.211 0.000 1.041 24 V CA -0.579 61.687 62.300 -0.058 0.000 0.926 24 V CB 1.193 32.986 31.823 -0.049 0.000 0.992 24 V HN 0.744 nan 8.190 nan 0.000 0.457 25 T N 3.826 118.358 114.554 -0.036 0.000 2.791 25 T HA 0.690 5.040 4.350 0.001 0.000 0.288 25 T C 0.319 175.018 174.700 -0.002 0.000 0.999 25 T CA 0.068 62.178 62.100 0.016 0.000 0.952 25 T CB 1.188 70.142 68.868 0.144 0.000 0.938 25 T HN 1.284 nan 8.240 nan 0.000 0.444 26 A N 3.315 126.124 122.820 -0.019 0.000 2.498 26 A HA 0.482 4.803 4.320 0.001 0.000 0.239 26 A C 0.865 178.449 177.584 0.000 0.000 1.068 26 A CA 0.054 52.080 52.037 -0.017 0.000 0.766 26 A CB -0.055 18.928 19.000 -0.028 0.000 1.003 26 A HN 0.977 nan 8.150 nan 0.000 0.497 27 I N 0.773 121.339 120.570 -0.006 0.000 4.398 27 I HA 0.144 4.315 4.170 0.001 0.000 0.310 27 I C 0.215 176.327 176.117 -0.008 0.000 1.232 27 I CA 0.295 61.594 61.300 -0.001 0.000 1.312 27 I CB 0.146 38.146 38.000 0.001 0.000 1.347 27 I HN 0.577 nan 8.210 nan 0.000 0.454 28 I N -1.016 119.545 120.570 -0.015 0.000 3.205 28 I HA 0.336 4.507 4.170 0.001 0.000 0.310 28 I C 0.934 177.035 176.117 -0.026 0.000 1.089 28 I CA -0.435 60.854 61.300 -0.018 0.000 1.023 28 I CB 1.334 39.324 38.000 -0.016 0.000 1.269 28 I HN -0.192 nan 8.210 nan 0.000 0.512 29 T N -0.458 114.079 114.554 -0.029 0.000 3.053 29 T HA 0.202 4.553 4.350 0.001 0.000 0.236 29 T C -1.551 173.125 174.700 -0.039 0.000 0.996 29 T CA 0.292 62.368 62.100 -0.040 0.000 1.185 29 T CB -0.919 67.923 68.868 -0.042 0.000 0.892 29 T HN 0.500 nan 8.240 nan 0.000 0.432 43 S N -0.426 115.261 115.700 -0.022 0.000 2.575 43 S HA 0.334 4.805 4.470 0.001 0.000 0.230 43 S C 0.475 175.059 174.600 -0.026 0.000 1.062 43 S CA 0.779 58.965 58.200 -0.023 0.000 0.913 43 S CB 0.810 63.998 63.200 -0.020 0.000 0.837 43 S HN 0.507 nan 8.310 nan 0.000 0.487 44 V N 2.776 122.675 119.914 -0.025 0.000 2.204 44 V HA 0.601 4.721 4.120 0.001 0.000 0.264 44 V C 0.124 176.200 176.094 -0.031 0.000 1.106 44 V CA -0.121 62.163 62.300 -0.027 0.000 0.947 44 V CB 0.389 32.200 31.823 -0.020 0.000 1.164 44 V HN 0.519 nan 8.190 nan 0.000 0.461 45 M N 0.708 120.286 119.600 -0.036 0.000 1.552 45 M HA 0.130 4.610 4.480 0.001 0.000 0.256 45 M C 0.035 176.309 176.300 -0.044 0.000 0.881 45 M CA 1.014 56.289 55.300 -0.040 0.000 0.967 45 M CB 0.608 33.186 32.600 -0.037 0.000 1.941 45 M HN 0.503 nan 8.290 nan 0.000 0.737 46 D N -0.073 120.302 120.400 -0.041 0.000 2.473 46 D HA 0.274 4.914 4.640 0.001 0.000 0.242 46 D C -2.163 174.108 176.300 -0.048 0.000 1.106 46 D CA 0.258 54.233 54.000 -0.042 0.000 0.854 46 D CB 0.546 41.326 40.800 -0.034 0.000 1.192 46 D HN 0.297 nan 8.370 nan 0.000 0.503 47 P HA 0.345 nan 4.420 nan 0.000 0.280 47 P C -0.359 176.897 177.300 -0.073 0.000 1.272 47 P CA -0.068 62.998 63.100 -0.058 0.000 0.819 47 P CB 1.152 32.823 31.700 -0.049 0.000 1.122 48 R N -1.330 119.110 120.500 -0.100 0.000 3.954 48 R HA -0.141 4.199 4.340 0.001 0.000 0.422 48 R C 0.824 177.037 176.300 -0.145 0.000 1.091 48 R CA 0.899 56.921 56.100 -0.131 0.000 1.168 48 R CB -2.679 27.569 30.300 -0.086 0.000 1.752 48 R HN 0.380 nan 8.270 nan 0.000 0.547 49 L N -0.855 120.301 121.223 -0.111 0.000 2.766 49 L HA 0.418 4.759 4.340 0.001 0.000 0.242 49 L C 1.033 177.924 176.870 0.036 0.000 1.136 49 L CA 0.308 55.125 54.840 -0.039 0.000 0.933 49 L CB 1.105 43.130 42.059 -0.057 0.000 1.241 49 L HN 0.459 nan 8.230 nan 0.000 0.522 50 G N 0.362 109.121 108.800 -0.069 0.000 2.355 50 G HA2 0.087 4.047 3.960 0.001 0.000 0.619 50 G HA3 0.087 4.047 3.960 0.001 0.000 0.619 50 G C -1.288 173.598 174.900 -0.023 0.000 1.337 50 G CA -0.478 44.642 45.100 0.033 0.000 0.993 50 G HN -0.115 nan 8.290 nan 0.000 0.599 51 V N -0.988 118.926 119.914 -0.000 0.000 2.407 51 V HA 0.736 4.856 4.120 0.001 0.000 0.291 51 V C 0.650 176.741 176.094 -0.004 0.000 1.018 51 V CA -0.809 61.483 62.300 -0.013 0.000 0.842 51 V CB 0.720 32.533 31.823 -0.016 0.000 0.996 51 V HN 1.260 nan 8.190 nan 0.000 0.426 52 I N 1.144 121.708 120.570 -0.011 0.000 2.472 52 I HA 0.700 4.870 4.170 0.001 0.000 0.290 52 I C 0.248 176.359 176.117 -0.009 0.000 1.016 52 I CA -0.106 61.188 61.300 -0.010 0.000 1.348 52 I CB 0.504 38.496 38.000 -0.013 0.000 1.417 52 I HN 0.886 nan 8.210 nan 0.000 0.521 53 E N 2.157 122.352 120.200 -0.007 0.000 8.706 53 E HA -0.147 4.203 4.350 0.001 0.000 0.467 53 E C -2.385 174.212 176.600 -0.006 0.000 1.156 53 E CA -0.349 56.047 56.400 -0.007 0.000 2.010 53 E CB -1.021 28.674 29.700 -0.008 0.000 1.008 53 E HN 0.694 nan 8.360 nan 0.000 0.266 54 P HA 0.241 nan 4.420 nan 0.000 0.274 54 P C 0.576 177.873 177.300 -0.006 0.000 1.260 54 P CA 0.716 63.814 63.100 -0.004 0.000 0.793 54 P CB 0.782 32.480 31.700 -0.003 0.000 1.048 55 G N -0.908 107.889 108.800 -0.005 0.000 1.954 55 G HA2 -0.100 3.860 3.960 0.001 0.000 0.169 55 G HA3 -0.100 3.860 3.960 0.001 0.000 0.169 55 G C -0.296 174.600 174.900 -0.007 0.000 1.013 55 G CA -0.352 44.744 45.100 -0.007 0.000 1.258 55 G HN 0.580 nan 8.290 nan 0.000 0.442 56 Q N 0.278 120.072 119.800 -0.010 0.000 2.681 56 Q HA 0.597 4.938 4.340 0.001 0.000 0.174 56 Q C 0.054 176.047 176.000 -0.012 0.000 1.063 56 Q CA -0.542 55.254 55.803 -0.011 0.000 0.880 56 Q CB 0.725 29.454 28.738 -0.014 0.000 3.009 56 Q HN 0.454 nan 8.270 nan 0.000 0.427 57 K N -0.537 119.854 120.400 -0.015 0.000 2.416 57 K HA 0.380 4.700 4.320 0.001 0.000 0.244 57 K C -0.819 175.763 176.600 -0.030 0.000 1.044 57 K CA -0.614 55.663 56.287 -0.017 0.000 0.972 57 K CB 0.984 33.475 32.500 -0.015 0.000 1.286 57 K HN 0.393 nan 8.250 nan 0.000 0.500 58 C N 2.113 121.390 119.300 -0.039 0.000 2.295 58 C HA 0.371 4.831 4.460 0.001 0.000 0.331 58 C C -1.609 173.327 174.990 -0.091 0.000 1.280 58 C CA -2.019 56.955 59.018 -0.073 0.000 1.746 58 C CB 0.041 27.730 27.740 -0.085 0.000 2.328 58 C HN 0.584 nan 8.230 nan 0.000 0.521 59 P HA -0.058 nan 4.420 nan 0.000 0.226 59 P C 1.443 178.676 177.300 -0.113 0.000 1.153 59 P CA 1.301 64.347 63.100 -0.090 0.000 0.777 59 P CB 0.113 31.764 31.700 -0.081 0.000 0.794 60 T N -2.131 112.308 114.554 -0.192 0.000 2.837 60 T HA -0.063 4.287 4.350 0.001 0.000 0.248 60 T C 1.760 176.383 174.700 -0.129 0.000 1.033 60 T CA 1.618 63.592 62.100 -0.211 0.000 1.150 60 T CB -0.772 67.842 68.868 -0.423 0.000 0.865 60 T HN 0.220 nan 8.240 nan 0.000 0.425 61 C N -0.789 118.433 119.300 -0.131 0.000 2.463 61 C HA 0.802 5.262 4.460 0.001 0.000 0.322 61 C C 2.045 177.022 174.990 -0.021 0.000 1.556 61 C CA 0.580 59.584 59.018 -0.024 0.000 2.225 61 C CB 0.072 27.849 27.740 0.061 0.000 1.995 61 C HN 0.852 nan 8.230 nan 0.000 0.678 62 G N 1.728 110.515 108.800 -0.023 0.000 2.165 62 G HA2 -0.041 3.920 3.960 0.001 0.000 0.144 62 G HA3 -0.041 3.920 3.960 0.001 0.000 0.144 62 G C -0.794 174.105 174.900 -0.002 0.000 1.049 62 G CA -0.208 44.881 45.100 -0.018 0.000 0.741 62 G HN 0.716 nan 8.290 nan 0.000 0.493 63 N N 0.904 119.611 118.700 0.012 0.000 2.530 63 N HA 0.491 5.232 4.740 0.001 0.000 0.277 63 N C 0.378 175.894 175.510 0.010 0.000 1.168 63 N CA 0.144 53.203 53.050 0.016 0.000 0.979 63 N CB 0.790 39.294 38.487 0.028 0.000 1.141 63 N HN 0.108 nan 8.380 nan 0.000 0.459 64 T N 2.319 116.878 114.554 0.007 0.000 2.913 64 T HA 0.289 4.639 4.350 0.001 0.000 0.297 64 T C 0.847 175.551 174.700 0.006 0.000 1.029 64 T CA -0.306 61.796 62.100 0.004 0.000 1.104 64 T CB 0.215 69.084 68.868 0.003 0.000 0.964 64 T HN 0.441 nan 8.240 nan 0.000 0.532 65 L N 0.500 121.724 121.223 0.003 0.000 7.699 65 L HA -0.201 4.139 4.340 0.001 0.000 0.055 65 L C 1.667 178.542 176.870 0.007 0.000 1.372 65 L CA 0.949 55.791 54.840 0.003 0.000 1.462 65 L CB -1.437 40.624 42.059 0.004 0.000 2.897 65 L HN 0.825 nan 8.230 nan 0.000 1.182 66 G N -0.725 108.079 108.800 0.007 0.000 3.383 66 G HA2 0.116 4.076 3.960 0.001 0.000 0.251 66 G HA3 0.116 4.076 3.960 0.001 0.000 0.251 66 G C 0.383 175.292 174.900 0.015 0.000 1.203 66 G CA 0.605 45.711 45.100 0.010 0.000 0.852 66 G HN 0.460 nan 8.290 nan 0.000 0.531 67 N N -0.027 118.684 118.700 0.018 0.000 2.451 67 N HA 0.140 4.881 4.740 0.001 0.000 0.264 67 N C -0.581 174.951 175.510 0.036 0.000 1.167 67 N CA -0.367 52.695 53.050 0.020 0.000 0.898 67 N CB -0.014 38.482 38.487 0.015 0.000 1.176 67 N HN 0.013 nan 8.380 nan 0.000 0.507 68 C N 1.195 120.529 119.300 0.057 0.000 3.235 68 C HA 0.434 4.895 4.460 0.001 0.000 0.198 68 C C -2.725 172.389 174.990 0.207 0.000 1.527 68 C CA -0.914 58.175 59.018 0.118 0.000 1.167 68 C CB -0.508 27.287 27.740 0.092 0.000 1.938 68 C HN 0.320 nan 8.230 nan 0.000 0.593 69 P HA 0.706 nan 4.420 nan 0.000 0.288 69 P C 0.053 177.226 177.300 -0.212 0.000 1.300 69 P CA 0.185 63.312 63.100 0.044 0.000 0.910 69 P CB 1.484 33.184 31.700 -0.000 0.000 1.256 70 G N 0.044 108.686 108.800 -0.263 0.000 2.455 70 G HA2 -0.076 3.884 3.960 0.001 0.000 0.169 70 G HA3 -0.076 3.884 3.960 0.001 0.000 0.169 70 G C -0.664 173.952 174.900 -0.474 0.000 1.074 70 G CA -0.619 44.285 45.100 -0.327 0.000 0.796 70 G HN 0.752 nan 8.290 nan 0.000 0.489 71 H N -0.641 118.416 119.070 -0.021 0.000 2.727 71 H HA 0.500 5.057 4.556 0.001 0.000 0.330 71 H C -0.649 174.649 175.328 -0.050 0.000 0.986 71 H CA -0.834 55.229 56.048 0.024 0.000 1.251 71 H CB 1.290 31.048 29.762 -0.008 0.000 1.493 71 H HN 0.115 nan 8.280 nan 0.000 0.515 72 F N 1.263 121.242 119.950 0.048 0.000 2.384 72 F HA 0.394 4.921 4.527 0.001 0.000 0.338 72 F C 1.268 176.906 175.800 -0.270 0.000 1.103 72 F CA 0.065 58.056 58.000 -0.015 0.000 1.157 72 F CB 1.478 40.546 39.000 0.113 0.000 1.167 72 F HN 0.566 nan 8.300 nan 0.000 0.529 73 G N 1.451 110.173 108.800 -0.130 0.000 2.461 73 G HA2 0.538 4.498 3.960 0.001 0.000 0.329 73 G HA3 0.538 4.498 3.960 0.001 0.000 0.329 73 G C -1.541 173.204 174.900 -0.259 0.000 1.170 73 G CA -0.441 44.473 45.100 -0.311 0.000 0.935 73 G HN 0.610 nan 8.290 nan 0.000 0.492 74 H N -0.488 118.632 119.070 0.084 0.000 2.771 74 H HA 0.454 5.010 4.556 0.001 0.000 0.361 74 H C -0.947 174.399 175.328 0.031 0.000 1.108 74 H CA -0.641 55.447 56.048 0.068 0.000 1.201 74 H CB 1.921 31.718 29.762 0.058 0.000 1.681 74 H HN 0.286 nan 8.280 nan 0.000 0.534 75 I N 2.077 122.735 120.570 0.147 0.000 2.439 75 I HA 0.158 4.329 4.170 0.001 0.000 0.285 75 I C -0.143 176.015 176.117 0.069 0.000 1.021 75 I CA -0.446 60.897 61.300 0.070 0.000 1.091 75 I CB 2.024 40.031 38.000 0.012 0.000 1.242 75 I HN 0.391 nan 8.210 nan 0.000 0.439 76 E N 6.026 126.261 120.200 0.059 0.000 2.130 76 E HA 0.340 4.691 4.350 0.001 0.000 0.284 76 E C -0.943 175.687 176.600 0.050 0.000 1.018 76 E CA -0.674 55.757 56.400 0.051 0.000 0.817 76 E CB 0.937 30.662 29.700 0.042 0.000 1.078 76 E HN 0.263 nan 8.360 nan 0.000 0.396 77 L N 3.224 124.483 121.223 0.060 0.000 2.380 77 L HA 0.205 4.545 4.340 0.001 0.000 0.273 77 L C 0.045 176.959 176.870 0.073 0.000 1.138 77 L CA -0.168 54.714 54.840 0.070 0.000 0.832 77 L CB 0.857 42.970 42.059 0.089 0.000 1.124 77 L HN 0.332 nan 8.230 nan 0.000 0.454 78 V N 6.057 126.016 119.914 0.075 0.000 2.304 78 V HA 0.552 4.673 4.120 0.001 0.000 0.269 78 V C -0.528 175.626 176.094 0.101 0.000 1.036 78 V CA -0.394 61.949 62.300 0.073 0.000 0.840 78 V CB -0.093 31.762 31.823 0.053 0.000 1.036 78 V HN 0.858 nan 8.190 nan 0.000 0.466 79 R N 3.788 124.353 120.500 0.108 0.000 1.623 79 R HA -0.074 4.266 4.340 0.001 0.000 0.404 79 R C -2.797 173.638 176.300 0.225 0.000 1.164 79 R CA 0.147 56.342 56.100 0.158 0.000 0.699 79 R CB -1.788 28.619 30.300 0.178 0.000 2.493 79 R HN 0.577 nan 8.270 nan 0.000 0.494 80 P HA 0.043 nan 4.420 nan 0.000 0.267 80 P C -0.531 176.894 177.300 0.209 0.000 1.195 80 P CA -0.233 62.978 63.100 0.185 0.000 0.773 80 P CB 0.598 32.395 31.700 0.161 0.000 0.837 81 V N 2.947 122.966 119.914 0.176 0.000 2.604 81 V HA 0.361 4.481 4.120 0.001 0.000 0.305 81 V C 0.400 176.605 176.094 0.185 0.000 1.043 81 V CA -0.791 61.598 62.300 0.147 0.000 0.888 81 V CB 1.539 33.440 31.823 0.130 0.000 0.995 81 V HN 0.331 nan 8.190 nan 0.000 0.429 82 I N 2.505 123.165 120.570 0.150 0.000 2.634 82 I HA 0.239 4.409 4.170 0.001 0.000 0.284 82 I C 0.222 176.492 176.117 0.256 0.000 1.124 82 I CA -0.206 61.209 61.300 0.191 0.000 1.417 82 I CB 0.136 38.212 38.000 0.128 0.000 1.396 82 I HN 0.660 nan 8.210 nan 0.000 0.571 83 H N 4.939 124.150 119.070 0.235 0.000 2.723 83 H HA 0.210 4.767 4.556 0.001 0.000 0.294 83 H C 0.887 176.293 175.328 0.130 0.000 1.079 83 H CA -0.523 55.657 56.048 0.221 0.000 1.411 83 H CB 1.119 31.027 29.762 0.245 0.000 1.439 83 H HN 0.508 nan 8.280 nan 0.000 0.474 84 V N 2.748 122.646 119.914 -0.026 0.000 2.380 84 V HA -0.209 3.911 4.120 0.001 0.000 0.251 84 V C 2.342 178.434 176.094 -0.004 0.000 1.063 84 V CA 1.924 64.223 62.300 -0.002 0.000 1.055 84 V CB -1.205 30.607 31.823 -0.018 0.000 0.657 84 V HN 0.871 nan 8.190 nan 0.000 0.455 85 G N 0.136 108.901 108.800 -0.058 0.000 2.446 85 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 85 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 85 G C 0.999 175.814 174.900 -0.141 0.000 1.168 85 G CA 1.050 46.044 45.100 -0.176 0.000 0.771 85 G HN 0.596 nan 8.290 nan 0.000 0.551 86 F N 0.167 120.335 119.950 0.364 0.000 2.660 86 F HA 0.387 4.914 4.527 0.001 0.000 0.297 86 F C 1.791 177.759 175.800 0.279 0.000 1.132 86 F CA -0.912 57.315 58.000 0.379 0.000 1.372 86 F CB 0.202 39.347 39.000 0.240 0.000 1.003 86 F HN -0.018 nan 8.300 nan 0.000 0.524 87 V N 1.712 121.792 119.914 0.275 0.000 2.809 87 V HA -0.171 3.949 4.120 0.001 0.000 0.256 87 V C 2.366 178.542 176.094 0.137 0.000 1.080 87 V CA 1.516 63.929 62.300 0.188 0.000 1.102 87 V CB -0.283 31.601 31.823 0.102 0.000 0.705 87 V HN 0.340 nan 8.190 nan 0.000 0.475 88 K N -1.568 118.855 120.400 0.038 0.000 2.379 88 K HA -0.007 4.313 4.320 0.001 0.000 0.194 88 K C 1.493 178.066 176.600 -0.045 0.000 1.031 88 K CA 0.858 57.119 56.287 -0.043 0.000 1.037 88 K CB -0.319 32.077 32.500 -0.175 0.000 0.824 88 K HN 0.542 nan 8.250 nan 0.000 0.516 89 H N 0.549 119.760 119.070 0.235 0.000 2.486 89 H HA 0.130 4.686 4.556 0.001 0.000 0.287 89 H C 2.218 177.661 175.328 0.192 0.000 1.010 89 H CA 0.567 56.727 56.048 0.187 0.000 1.324 89 H CB 0.171 30.084 29.762 0.251 0.000 1.446 89 H HN -0.079 nan 8.280 nan 0.000 0.537 90 V N 1.395 121.540 119.914 0.385 0.000 2.295 90 V HA -0.298 3.822 4.120 0.001 0.000 0.246 90 V C 2.309 178.573 176.094 0.283 0.000 1.049 90 V CA 1.934 64.437 62.300 0.338 0.000 1.024 90 V CB -0.764 31.224 31.823 0.275 0.000 0.648 90 V HN 0.376 nan 8.190 nan 0.000 0.447 91 Y N 0.822 121.195 120.300 0.121 0.000 2.333 91 Y HA -0.216 4.334 4.550 0.001 0.000 0.290 91 Y C 2.455 178.388 175.900 0.055 0.000 1.144 91 Y CA 2.012 60.156 58.100 0.073 0.000 1.228 91 Y CB 0.028 38.513 38.460 0.042 0.000 0.985 91 Y HN 0.366 nan 8.280 nan 0.000 0.542 92 E N -0.647 119.551 120.200 -0.003 0.000 2.112 92 E HA -0.141 4.210 4.350 0.001 0.000 0.190 92 E C 1.911 178.418 176.600 -0.155 0.000 0.979 92 E CA 0.844 57.159 56.400 -0.141 0.000 0.814 92 E CB -0.310 29.335 29.700 -0.091 0.000 0.762 92 E HN 0.523 nan 8.360 nan 0.000 0.460 93 F N 0.999 120.905 119.950 -0.074 0.000 2.171 93 F HA -0.184 4.344 4.527 0.001 0.000 0.300 93 F C 2.087 177.823 175.800 -0.106 0.000 1.090 93 F CA 0.716 58.654 58.000 -0.103 0.000 1.293 93 F CB -0.015 38.910 39.000 -0.125 0.000 1.013 93 F HN -0.009 nan 8.300 nan 0.000 0.486 94 L N -0.332 120.935 121.223 0.074 0.000 2.362 94 L HA -0.188 4.153 4.340 0.001 0.000 0.219 94 L C 1.751 178.576 176.870 -0.075 0.000 1.134 94 L CA 1.178 56.011 54.840 -0.013 0.000 0.807 94 L CB -0.509 41.529 42.059 -0.035 0.000 0.927 94 L HN 0.067 nan 8.230 nan 0.000 0.447 95 K N 0.042 120.364 120.400 -0.130 0.000 2.444 95 K HA 0.196 4.517 4.320 0.001 0.000 0.193 95 K C 0.795 177.359 176.600 -0.060 0.000 1.024 95 K CA 0.411 56.621 56.287 -0.128 0.000 1.077 95 K CB 0.398 32.780 32.500 -0.196 0.000 0.833 95 K HN 0.204 nan 8.250 nan 0.000 0.517 96 A N 1.021 123.827 122.820 -0.023 0.000 2.897 96 A HA 0.199 4.519 4.320 0.001 0.000 0.230 96 A C -0.556 177.046 177.584 0.030 0.000 0.896 96 A CA -0.457 51.581 52.037 0.001 0.000 1.114 96 A CB 0.547 19.544 19.000 -0.005 0.000 1.230 96 A HN -0.035 nan 8.150 nan 0.000 0.481 97 T N -0.453 114.111 114.554 0.017 0.000 2.861 97 T HA 0.212 4.563 4.350 0.001 0.000 0.287 97 T C 0.831 175.527 174.700 -0.007 0.000 1.003 97 T CA 0.087 62.191 62.100 0.007 0.000 0.977 97 T CB 1.430 70.301 68.868 0.005 0.000 0.996 97 T HN 0.583 nan 8.240 nan 0.000 0.448 98 C N 3.589 122.879 119.300 -0.015 0.000 2.491 98 C HA 0.120 4.581 4.460 0.001 0.000 0.277 98 C C 1.982 176.962 174.990 -0.017 0.000 1.455 98 C CA 0.443 59.450 59.018 -0.019 0.000 1.758 98 C CB -1.728 25.997 27.740 -0.024 0.000 1.745 98 C HN 1.153 nan 8.230 nan 0.000 0.558 99 R N -1.699 118.791 120.500 -0.017 0.000 2.198 99 R HA -0.247 4.093 4.340 0.001 0.000 0.155 99 R C 1.531 177.819 176.300 -0.020 0.000 0.877 99 R CA 2.270 58.361 56.100 -0.014 0.000 1.870 99 R CB -1.458 28.840 30.300 -0.003 0.000 0.812 99 R HN 0.474 nan 8.270 nan 0.000 0.662 100 R N -0.327 120.160 120.500 -0.021 0.000 2.308 100 R HA 0.290 4.630 4.340 0.001 0.000 0.202 100 R C 0.620 176.901 176.300 -0.030 0.000 0.898 100 R CA 0.973 57.058 56.100 -0.024 0.000 1.046 100 R CB 0.743 31.031 30.300 -0.019 0.000 1.026 100 R HN 0.364 nan 8.270 nan 0.000 0.512 101 C N -3.025 116.256 119.300 -0.033 0.000 4.337 101 C HA 0.886 5.347 4.460 0.001 0.000 0.261 101 C C 0.985 175.948 174.990 -0.044 0.000 4.123 101 C CA -0.373 58.622 59.018 -0.038 0.000 1.751 101 C CB 0.687 28.408 27.740 -0.033 0.000 4.928 101 C HN 0.399 nan 8.230 nan 0.000 0.515 102 G N -0.774 108.003 108.800 -0.039 0.000 2.933 102 G HA2 0.561 4.522 3.960 0.001 0.000 0.203 102 G HA3 0.561 4.522 3.960 0.001 0.000 0.203 102 G C 0.258 175.149 174.900 -0.016 0.000 1.170 102 G CA 0.842 45.923 45.100 -0.032 0.000 0.880 102 G HN 1.213 nan 8.290 nan 0.000 0.573 103 R N -1.704 118.794 120.500 -0.003 0.000 1.258 103 R HA -0.328 4.013 4.340 0.001 0.000 0.031 103 R C 0.678 176.979 176.300 0.001 0.000 0.958 103 R CA 2.319 58.419 56.100 0.001 0.000 1.916 103 R CB -2.333 27.960 30.300 -0.012 0.000 0.240 103 R HN 1.707 nan 8.270 nan 0.000 0.707 104 V N 2.462 122.372 119.914 -0.007 0.000 6.029 104 V HA -0.213 3.907 4.120 0.001 0.000 0.242 104 V C 0.239 176.329 176.094 -0.008 0.000 0.637 104 V CA 2.116 64.411 62.300 -0.008 0.000 0.603 104 V CB -0.961 30.858 31.823 -0.006 0.000 0.423 104 V HN 0.680 nan 8.190 nan 0.000 0.520 105 K N 0.517 120.911 120.400 -0.011 0.000 2.670 105 K HA 0.623 4.943 4.320 0.001 0.000 0.289 105 K C -0.236 176.357 176.600 -0.013 0.000 1.045 105 K CA -0.750 55.531 56.287 -0.010 0.000 0.834 105 K CB 1.667 34.160 32.500 -0.012 0.000 1.531 105 K HN 0.104 nan 8.250 nan 0.000 0.376 106 I N -0.033 120.530 120.570 -0.012 0.000 4.585 106 I HA 0.250 4.420 4.170 0.001 0.000 0.213 106 I C 1.400 177.507 176.117 -0.016 0.000 1.470 106 I CA -0.218 61.075 61.300 -0.012 0.000 1.277 106 I CB -0.233 37.763 38.000 -0.007 0.000 1.582 106 I HN 0.455 nan 8.210 nan 0.000 0.602 107 S N -0.096 115.596 115.700 -0.013 0.000 2.575 107 S HA 0.074 4.544 4.470 0.001 0.000 0.215 107 S C 1.168 175.755 174.600 -0.021 0.000 0.966 107 S CA -0.028 58.162 58.200 -0.016 0.000 0.911 107 S CB -0.229 62.967 63.200 -0.007 0.000 0.780 107 S HN 0.419 nan 8.310 nan 0.000 0.514 108 E N 1.381 121.570 120.200 -0.019 0.000 2.515 108 E HA -0.120 4.230 4.350 0.001 0.000 0.201 108 E C 0.591 177.162 176.600 -0.049 0.000 1.071 108 E CA 0.264 56.651 56.400 -0.023 0.000 0.880 108 E CB -0.071 29.623 29.700 -0.009 0.000 0.828 108 E HN 0.406 nan 8.360 nan 0.000 0.540 109 D N 1.440 121.806 120.400 -0.057 0.000 2.092 109 D HA -0.165 4.475 4.640 0.001 0.000 0.193 109 D C 1.651 177.859 176.300 -0.153 0.000 0.994 109 D CA 1.044 54.994 54.000 -0.083 0.000 0.828 109 D CB 0.009 40.770 40.800 -0.066 0.000 0.963 109 D HN 0.220 nan 8.370 nan 0.000 0.450 110 E N -0.027 120.077 120.200 -0.161 0.000 2.097 110 E HA -0.174 4.177 4.350 0.001 0.000 0.196 110 E C 2.021 178.314 176.600 -0.512 0.000 1.000 110 E CA 0.705 56.928 56.400 -0.294 0.000 0.804 110 E CB -0.067 29.561 29.700 -0.121 0.000 0.740 110 E HN 0.340 nan 8.360 nan 0.000 0.454 111 I N 0.646 121.087 120.570 -0.216 0.000 2.756 111 I HA -0.133 4.037 4.170 0.001 0.000 0.262 111 I C 0.527 176.580 176.117 -0.108 0.000 1.225 111 I CA 1.196 62.441 61.300 -0.093 0.000 1.472 111 I CB -0.646 37.361 38.000 0.012 0.000 1.094 111 I HN 0.029 nan 8.210 nan 0.000 0.454 112 E N 0.433 120.537 120.200 -0.160 0.000 3.896 112 E HA 0.218 4.568 4.350 0.001 0.000 0.217 112 E C 0.574 177.085 176.600 -0.148 0.000 1.150 112 E CA -0.010 56.330 56.400 -0.100 0.000 1.338 112 E CB 0.646 30.321 29.700 -0.042 0.000 1.242 112 E HN 0.191 nan 8.360 nan 0.000 0.435 113 K N -0.600 119.635 120.400 -0.276 0.000 2.567 113 K HA 0.113 4.434 4.320 0.001 0.000 0.218 113 K C 0.539 177.059 176.600 -0.134 0.000 1.440 113 K CA 0.099 56.240 56.287 -0.244 0.000 0.995 113 K CB 0.592 32.894 32.500 -0.330 0.000 1.186 113 K HN 0.124 nan 8.250 nan 0.000 0.593 114 Y N 0.987 121.358 120.300 0.119 0.000 2.365 114 Y HA -0.040 4.510 4.550 0.001 0.000 0.293 114 Y C 2.185 178.240 175.900 0.257 0.000 1.119 114 Y CA 0.747 59.022 58.100 0.292 0.000 1.203 114 Y CB -0.253 38.361 38.460 0.257 0.000 1.026 114 Y HN -0.053 nan 8.280 nan 0.000 0.549 115 S N 0.011 115.866 115.700 0.259 0.000 2.701 115 S HA 0.093 4.564 4.470 0.001 0.000 0.220 115 S C 1.678 176.334 174.600 0.093 0.000 0.954 115 S CA 0.003 58.304 58.200 0.169 0.000 0.936 115 S CB -0.009 63.267 63.200 0.127 0.000 0.777 115 S HN 0.483 nan 8.310 nan 0.000 0.518 116 R N 0.389 120.921 120.500 0.054 0.000 2.215 116 R HA 0.307 4.647 4.340 0.001 0.000 0.190 116 R C 1.577 177.845 176.300 -0.053 0.000 0.968 116 R CA 0.141 56.235 56.100 -0.011 0.000 1.122 116 R CB -0.001 30.274 30.300 -0.042 0.000 1.151 116 R HN 0.319 nan 8.270 nan 0.000 0.582 117 I N 1.088 121.580 120.570 -0.130 0.000 2.162 117 I HA -0.149 4.021 4.170 0.001 0.000 0.238 117 I C 0.502 176.469 176.117 -0.249 0.000 1.076 117 I CA 1.199 62.323 61.300 -0.293 0.000 1.353 117 I CB -0.714 36.928 38.000 -0.597 0.000 1.063 117 I HN 0.107 nan 8.210 nan 0.000 0.408 118 Y N 2.260 122.605 120.300 0.075 0.000 2.724 118 Y HA 0.345 4.895 4.550 0.001 0.000 0.332 118 Y C 0.479 176.411 175.900 0.054 0.000 1.276 118 Y CA -0.269 57.869 58.100 0.063 0.000 1.597 118 Y CB -0.593 37.909 38.460 0.071 0.000 1.584 118 Y HN 0.149 nan 8.280 nan 0.000 0.478 119 N N 1.012 119.792 118.700 0.133 0.000 2.658 119 N HA 0.198 4.938 4.740 0.001 0.000 0.238 119 N C 0.271 175.812 175.510 0.051 0.000 1.495 119 N CA 0.170 53.276 53.050 0.094 0.000 0.883 119 N CB 0.940 39.477 38.487 0.084 0.000 1.463 119 N HN 0.565 nan 8.380 nan 0.000 0.531 120 A N 0.424 123.275 122.820 0.052 0.000 2.030 120 A HA 0.117 4.437 4.320 0.001 0.000 0.215 120 A C 1.980 179.578 177.584 0.024 0.000 1.164 120 A CA 0.448 52.503 52.037 0.030 0.000 0.697 120 A CB 0.097 19.117 19.000 0.033 0.000 0.827 120 A HN 0.288 nan 8.150 nan 0.000 0.457 121 I N -0.046 120.546 120.570 0.037 0.000 2.060 121 I HA -0.083 4.088 4.170 0.001 0.000 0.233 121 I C 0.727 176.855 176.117 0.019 0.000 1.054 121 I CA 1.158 62.477 61.300 0.031 0.000 1.318 121 I CB -1.191 36.834 38.000 0.042 0.000 1.054 121 I HN 0.113 nan 8.210 nan 0.000 0.395 122 K N 1.358 121.778 120.400 0.033 0.000 2.298 122 K HA 0.131 4.452 4.320 0.001 0.000 0.280 122 K C 0.760 177.360 176.600 -0.001 0.000 1.032 122 K CA 0.291 56.593 56.287 0.026 0.000 0.958 122 K CB 0.816 33.362 32.500 0.076 0.000 0.978 122 K HN 0.121 nan 8.250 nan 0.000 0.472 123 K N 1.808 122.176 120.400 -0.053 0.000 2.529 123 K HA 0.082 4.403 4.320 0.001 0.000 0.215 123 K C 1.386 177.894 176.600 -0.153 0.000 1.286 123 K CA -0.055 56.181 56.287 -0.085 0.000 0.997 123 K CB 0.671 33.113 32.500 -0.097 0.000 1.063 123 K HN 0.389 nan 8.250 nan 0.000 0.590 124 R N 0.300 120.658 120.500 -0.237 0.000 2.062 124 R HA -0.040 4.300 4.340 0.001 0.000 0.229 124 R C 0.800 176.792 176.300 -0.514 0.000 1.128 124 R CA 1.373 57.169 56.100 -0.507 0.000 0.960 124 R CB 0.232 30.026 30.300 -0.843 0.000 0.855 124 R HN 0.185 nan 8.270 nan 0.000 0.432 125 W N -0.119 121.172 121.300 -0.015 0.000 3.005 125 W HA 0.253 4.914 4.660 0.001 0.000 0.374 125 W C -1.584 174.931 176.519 -0.005 0.000 1.076 125 W CA -0.511 56.830 57.345 -0.007 0.000 1.794 125 W CB 0.562 30.024 29.460 0.002 0.000 1.113 125 W HN 0.197 nan 8.180 nan 0.000 0.584 126 P HA -0.093 nan 4.420 nan 0.000 0.221 126 P C 1.869 179.187 177.300 0.031 0.000 1.155 126 P CA 1.585 64.732 63.100 0.079 0.000 0.812 126 P CB -0.038 31.691 31.700 0.047 0.000 0.801 127 S N 0.258 115.951 115.700 -0.012 0.000 2.440 127 S HA -0.104 4.366 4.470 0.001 0.000 0.238 127 S C 2.109 176.700 174.600 -0.014 0.000 1.010 127 S CA 1.145 59.313 58.200 -0.054 0.000 0.972 127 S CB -1.154 61.985 63.200 -0.102 0.000 0.774 127 S HN 0.142 nan 8.310 nan 0.000 0.501 128 A N 1.817 124.680 122.820 0.072 0.000 1.897 128 A HA 0.423 4.744 4.320 0.001 0.000 0.215 128 A C 2.565 180.202 177.584 0.088 0.000 1.181 128 A CA 1.457 53.575 52.037 0.136 0.000 0.620 128 A CB -1.462 17.729 19.000 0.318 0.000 0.821 128 A HN 0.935 nan 8.150 nan 0.000 0.443 129 A N -0.170 122.698 122.820 0.080 0.000 2.015 129 A HA -0.117 4.204 4.320 0.001 0.000 0.219 129 A C 2.091 179.675 177.584 -0.000 0.000 1.163 129 A CA 1.379 53.445 52.037 0.048 0.000 0.646 129 A CB -0.405 18.627 19.000 0.053 0.000 0.806 129 A HN 0.518 nan 8.150 nan 0.000 0.448 130 R N -0.859 119.627 120.500 -0.024 0.000 2.339 130 R HA 0.052 4.393 4.340 0.001 0.000 0.199 130 R C 1.810 178.042 176.300 -0.114 0.000 1.018 130 R CA 0.697 56.757 56.100 -0.067 0.000 1.036 130 R CB 0.001 30.247 30.300 -0.090 0.000 0.899 130 R HN 0.462 nan 8.270 nan 0.000 0.473 131 R N -1.224 119.202 120.500 -0.124 0.000 2.194 131 R HA 0.117 4.458 4.340 0.001 0.000 0.194 131 R C 1.500 177.550 176.300 -0.417 0.000 0.985 131 R CA 0.022 55.952 56.100 -0.283 0.000 1.104 131 R CB -0.175 29.991 30.300 -0.223 0.000 1.092 131 R HN 0.045 nan 8.270 nan 0.000 0.555 132 L N 1.915 123.093 121.223 -0.075 0.000 2.261 132 L HA -0.140 4.201 4.340 0.001 0.000 0.216 132 L C 2.400 179.319 176.870 0.082 0.000 1.114 132 L CA 1.977 56.912 54.840 0.158 0.000 0.777 132 L CB -1.053 41.106 42.059 0.167 0.000 0.910 132 L HN 0.339 nan 8.230 nan 0.000 0.440 133 T N -3.968 110.566 114.554 -0.033 0.000 2.732 133 T HA -0.147 4.203 4.350 0.001 0.000 0.261 133 T C 1.685 176.344 174.700 -0.068 0.000 1.040 133 T CA 0.897 62.979 62.100 -0.031 0.000 1.145 133 T CB -0.477 68.366 68.868 -0.041 0.000 0.866 133 T HN 0.328 nan 8.240 nan 0.000 0.427 134 E N 0.701 120.791 120.200 -0.184 0.000 2.171 134 E HA -0.160 4.191 4.350 0.001 0.000 0.197 134 E C 1.937 178.454 176.600 -0.140 0.000 0.997 134 E CA 1.321 57.599 56.400 -0.202 0.000 0.810 134 E CB -0.448 29.074 29.700 -0.296 0.000 0.738 134 E HN 0.620 nan 8.360 nan 0.000 0.467 135 Y N -0.170 120.132 120.300 0.002 0.000 2.114 135 Y HA -0.199 4.352 4.550 0.001 0.000 0.284 135 Y C 2.393 178.294 175.900 0.002 0.000 1.143 135 Y CA 0.828 58.930 58.100 0.004 0.000 1.135 135 Y CB -1.000 37.465 38.460 0.008 0.000 0.980 135 Y HN -0.039 nan 8.280 nan 0.000 0.499 136 V N 0.316 120.324 119.914 0.157 0.000 2.515 136 V HA -0.244 3.877 4.120 0.001 0.000 0.250 136 V C 1.919 178.041 176.094 0.047 0.000 1.058 136 V CA 1.780 64.132 62.300 0.086 0.000 1.064 136 V CB -0.326 31.536 31.823 0.065 0.000 0.675 136 V HN 0.390 nan 8.190 nan 0.000 0.461 137 K N -0.079 120.338 120.400 0.027 0.000 2.097 137 K HA -0.129 4.191 4.320 0.001 0.000 0.206 137 K C 1.917 178.520 176.600 0.004 0.000 1.049 137 K CA 1.459 57.749 56.287 0.005 0.000 0.933 137 K CB -0.154 32.336 32.500 -0.017 0.000 0.717 137 K HN 0.418 nan 8.250 nan 0.000 0.442 138 K N 0.106 120.515 120.400 0.015 0.000 2.487 138 K HA 0.018 4.338 4.320 0.001 0.000 0.192 138 K C 0.545 177.163 176.600 0.031 0.000 1.027 138 K CA 0.810 57.105 56.287 0.013 0.000 1.054 138 K CB 0.523 33.038 32.500 0.025 0.000 0.824 138 K HN 0.080 nan 8.250 nan 0.000 0.510 139 T N -0.925 113.651 114.554 0.037 0.000 3.058 139 T HA 0.245 4.595 4.350 0.001 0.000 0.278 139 T C 0.201 174.919 174.700 0.030 0.000 0.974 139 T CA -0.475 61.647 62.100 0.038 0.000 0.893 139 T CB 0.766 69.661 68.868 0.045 0.000 1.138 139 T HN 0.110 nan 8.240 nan 0.000 0.529 140 A N 1.269 124.103 122.820 0.022 0.000 2.316 140 A HA 0.810 5.130 4.320 0.001 0.000 0.284 140 A C 0.368 177.961 177.584 0.014 0.000 1.115 140 A CA -0.416 51.630 52.037 0.015 0.000 0.812 140 A CB 0.569 19.573 19.000 0.007 0.000 1.064 140 A HN 0.243 nan 8.150 nan 0.000 0.489 141 M N 0.687 120.293 119.600 0.010 0.000 2.511 141 M HA 0.286 4.766 4.480 0.001 0.000 0.387 141 M C 0.495 176.763 176.300 -0.053 0.000 1.112 141 M CA 0.606 55.912 55.300 0.009 0.000 0.921 141 M CB -0.077 32.562 32.600 0.064 0.000 1.501 141 M HN 0.857 nan 8.290 nan 0.000 0.538 142 K N -1.647 118.723 120.400 -0.049 0.000 3.124 142 K HA 0.766 5.086 4.320 0.001 0.000 0.255 142 K C 0.951 177.523 176.600 -0.048 0.000 1.513 142 K CA 0.451 56.694 56.287 -0.073 0.000 1.066 142 K CB 0.462 32.924 32.500 -0.064 0.000 2.122 142 K HN -0.070 nan 8.250 nan 0.000 0.398 143 A N 0.377 123.178 122.820 -0.032 0.000 1.360 143 A HA -0.334 3.986 4.320 0.001 0.000 0.215 143 A C 1.429 178.999 177.584 -0.024 0.000 0.516 143 A CA 2.210 54.234 52.037 -0.023 0.000 1.108 143 A CB -1.386 17.602 19.000 -0.020 0.000 1.464 143 A HN 0.506 nan 8.150 nan 0.000 0.721 144 Q N -3.658 116.124 119.800 -0.030 0.000 2.419 144 Q HA 0.520 4.860 4.340 0.001 0.000 0.187 144 Q C 0.062 176.043 176.000 -0.031 0.000 0.686 144 Q CA 1.011 56.798 55.803 -0.027 0.000 0.897 144 Q CB 1.812 30.536 28.738 -0.024 0.000 1.263 144 Q HN 1.382 nan 8.270 nan 0.000 0.457 145 V N 1.243 121.134 119.914 -0.037 0.000 4.114 145 V HA 0.341 4.462 4.120 0.001 0.000 0.505 145 V C -1.674 174.392 176.094 -0.048 0.000 1.609 145 V CA -0.469 61.807 62.300 -0.041 0.000 2.377 145 V CB 0.492 32.297 31.823 -0.030 0.000 0.852 145 V HN 0.412 nan 8.190 nan 0.000 0.562 146 C N 3.767 123.027 119.300 -0.066 0.000 2.376 146 C HA 0.692 5.153 4.460 0.001 0.000 0.335 146 C C -1.967 172.947 174.990 -0.126 0.000 1.229 146 C CA -0.988 57.987 59.018 -0.073 0.000 1.867 146 C CB 1.523 29.226 27.740 -0.062 0.000 2.319 146 C HN 0.681 nan 8.230 nan 0.000 0.515 147 P HA 0.360 nan 4.420 nan 0.000 0.208 147 P C -0.486 176.810 177.300 -0.006 0.000 1.863 147 P CA 0.143 63.184 63.100 -0.098 0.000 1.037 147 P CB -0.488 31.221 31.700 0.016 0.000 1.881 148 H N -1.583 117.488 119.070 0.002 0.000 4.396 148 H HA -0.167 4.389 4.556 0.001 0.000 0.255 148 H C -0.142 175.188 175.328 0.003 0.000 0.574 148 H CA 0.274 56.324 56.048 0.004 0.000 0.744 148 H CB -1.544 28.222 29.762 0.006 0.000 0.934 148 H HN 0.409 nan 8.280 nan 0.000 0.417 149 C N -0.367 119.019 119.300 0.144 0.000 3.291 149 C HA 0.702 5.163 4.460 0.001 0.000 0.316 149 C C 1.483 176.509 174.990 0.060 0.000 1.391 149 C CA -0.046 59.016 59.018 0.072 0.000 1.394 149 C CB 1.593 29.357 27.740 0.041 0.000 1.744 149 C HN 1.059 nan 8.230 nan 0.000 0.461 150 G N 0.228 109.053 108.800 0.042 0.000 2.624 150 G HA2 0.524 4.485 3.960 0.001 0.000 0.217 150 G HA3 0.524 4.485 3.960 0.001 0.000 0.217 150 G C 0.004 174.926 174.900 0.038 0.000 1.506 150 G CA 0.527 45.650 45.100 0.040 0.000 1.072 150 G HN 0.712 nan 8.290 nan 0.000 0.568 151 E N -1.250 118.977 120.200 0.045 0.000 4.003 151 E HA 0.289 4.639 4.350 0.001 0.000 0.198 151 E C -0.369 176.275 176.600 0.073 0.000 1.192 151 E CA -0.037 56.395 56.400 0.054 0.000 0.769 151 E CB 0.173 29.916 29.700 0.071 0.000 2.961 151 E HN 0.409 nan 8.360 nan 0.000 0.546 152 K N 0.048 120.537 120.400 0.149 0.000 2.346 152 K HA 0.715 5.035 4.320 0.001 0.000 0.238 152 K C -0.661 176.104 176.600 0.274 0.000 1.039 152 K CA -0.759 55.714 56.287 0.310 0.000 0.861 152 K CB 1.732 34.444 32.500 0.354 0.000 1.278 152 K HN 0.109 nan 8.250 nan 0.000 0.460 153 Q N -0.379 119.608 119.800 0.312 0.000 2.482 153 Q HA 0.537 4.877 4.340 0.001 0.000 0.286 153 Q C -1.564 174.481 176.000 0.075 0.000 1.007 153 Q CA -0.998 54.884 55.803 0.133 0.000 0.801 153 Q CB 1.555 30.336 28.738 0.072 0.000 1.455 153 Q HN 0.629 nan 8.270 nan 0.000 0.398 154 F N -0.878 119.082 119.950 0.016 0.000 2.611 154 F HA 0.715 5.243 4.527 0.001 0.000 0.374 154 F C -0.118 175.678 175.800 -0.006 0.000 1.110 154 F CA -1.259 56.730 58.000 -0.018 0.000 1.090 154 F CB 0.307 39.302 39.000 -0.009 0.000 1.388 154 F HN 0.314 nan 8.300 nan 0.000 0.501 155 K N 1.063 121.610 120.400 0.244 0.000 2.606 155 K HA 0.082 4.402 4.320 0.001 0.000 0.279 155 K C -0.086 176.465 176.600 -0.081 0.000 0.961 155 K CA 0.805 57.150 56.287 0.095 0.000 1.002 155 K CB -0.100 32.505 32.500 0.175 0.000 0.871 155 K HN 0.613 nan 8.250 nan 0.000 0.508 176 T N 1.695 116.368 114.554 0.199 0.000 2.791 176 T HA 0.291 4.641 4.350 0.001 0.000 0.288 176 T C -2.019 172.832 174.700 0.251 0.000 0.999 176 T CA -1.228 61.061 62.100 0.315 0.000 0.952 176 T CB 2.139 71.047 68.868 0.067 0.000 0.938 176 T HN -0.176 nan 8.240 nan 0.000 0.444 177 P HA -0.248 nan 4.420 nan 0.000 0.220 177 P C 1.792 179.197 177.300 0.176 0.000 1.155 177 P CA 1.447 64.690 63.100 0.239 0.000 0.880 177 P CB -0.011 31.866 31.700 0.294 0.000 0.790 178 S N -2.120 113.685 115.700 0.175 0.000 2.474 178 S HA -0.119 4.352 4.470 0.001 0.000 0.235 178 S C 1.532 176.158 174.600 0.045 0.000 0.997 178 S CA 1.170 59.424 58.200 0.090 0.000 0.949 178 S CB -0.786 62.441 63.200 0.045 0.000 0.766 178 S HN 0.108 nan 8.310 nan 0.000 0.517 179 D N 1.289 121.716 120.400 0.046 0.000 2.338 179 D HA 0.263 4.903 4.640 0.001 0.000 0.208 179 D C 1.704 178.016 176.300 0.021 0.000 0.997 179 D CA 0.445 54.458 54.000 0.021 0.000 0.880 179 D CB -0.062 40.746 40.800 0.014 0.000 0.980 179 D HN 0.469 nan 8.370 nan 0.000 0.509 180 I N 0.493 121.088 120.570 0.043 0.000 2.761 180 I HA -0.072 4.098 4.170 0.001 0.000 0.261 180 I C 2.413 178.525 176.117 -0.007 0.000 1.198 180 I CA 0.514 61.830 61.300 0.028 0.000 1.482 180 I CB -0.030 38.006 38.000 0.059 0.000 1.100 180 I HN -0.179 nan 8.210 nan 0.000 0.445 181 R N 1.354 121.855 120.500 0.003 0.000 2.193 181 R HA -0.048 4.292 4.340 0.001 0.000 0.213 181 R C 1.667 177.938 176.300 -0.049 0.000 1.055 181 R CA 0.770 56.853 56.100 -0.028 0.000 0.995 181 R CB 0.089 30.394 30.300 0.008 0.000 0.893 181 R HN 0.341 nan 8.270 nan 0.000 0.459 182 E N -0.238 119.944 120.200 -0.030 0.000 2.512 182 E HA -0.074 4.276 4.350 0.001 0.000 0.195 182 E C 0.915 177.484 176.600 -0.052 0.000 1.083 182 E CA 0.316 56.694 56.400 -0.037 0.000 0.873 182 E CB 0.341 30.028 29.700 -0.022 0.000 0.897 182 E HN 0.244 nan 8.360 nan 0.000 0.514 183 R N -0.840 119.619 120.500 -0.068 0.000 2.487 183 R HA 0.219 4.559 4.340 0.001 0.000 0.272 183 R C 1.615 177.829 176.300 -0.144 0.000 0.928 183 R CA -0.021 56.030 56.100 -0.081 0.000 1.077 183 R CB 0.681 30.949 30.300 -0.053 0.000 1.265 183 R HN 0.060 nan 8.270 nan 0.000 0.537 184 L N -0.477 120.633 121.223 -0.189 0.000 2.500 184 L HA 0.191 4.531 4.340 0.001 0.000 0.219 184 L C 2.080 178.771 176.870 -0.299 0.000 1.057 184 L CA 0.359 55.006 54.840 -0.321 0.000 0.854 184 L CB 0.022 41.852 42.059 -0.382 0.000 1.078 184 L HN 0.113 nan 8.230 nan 0.000 0.480 185 E N 1.421 121.495 120.200 -0.210 0.000 2.265 185 E HA -0.206 4.144 4.350 0.001 0.000 0.196 185 E C 1.372 177.879 176.600 -0.155 0.000 0.996 185 E CA 0.955 57.248 56.400 -0.178 0.000 0.832 185 E CB 0.233 29.864 29.700 -0.114 0.000 0.756 185 E HN 0.362 nan 8.360 nan 0.000 0.491 186 K N 0.572 120.886 120.400 -0.143 0.000 2.505 186 K HA 0.027 4.347 4.320 0.001 0.000 0.192 186 K C 0.125 176.654 176.600 -0.118 0.000 1.025 186 K CA 0.050 56.270 56.287 -0.111 0.000 1.086 186 K CB 0.610 33.058 32.500 -0.086 0.000 0.840 186 K HN 0.027 nan 8.250 nan 0.000 0.514 187 V N -0.612 119.206 119.914 -0.161 0.000 2.459 187 V HA 0.475 4.595 4.120 0.001 0.000 0.295 187 V C -2.403 173.602 176.094 -0.147 0.000 1.029 187 V CA -2.426 59.786 62.300 -0.146 0.000 0.874 187 V CB 1.460 33.181 31.823 -0.171 0.000 0.985 187 V HN -0.089 nan 8.190 nan 0.000 0.438 188 P HA 0.406 nan 4.420 nan 0.000 0.302 188 P C 0.442 177.682 177.300 -0.099 0.000 1.307 188 P CA -0.240 62.801 63.100 -0.098 0.000 0.754 188 P CB 1.232 32.892 31.700 -0.068 0.000 1.298 189 E N -0.347 119.803 120.200 -0.084 0.000 2.150 189 E HA -0.122 4.228 4.350 0.001 0.000 0.193 189 E C 1.990 178.561 176.600 -0.049 0.000 0.985 189 E CA 1.600 57.956 56.400 -0.072 0.000 0.814 189 E CB -0.442 29.223 29.700 -0.058 0.000 0.752 189 E HN 0.434 nan 8.360 nan 0.000 0.466 190 S N 1.005 116.677 115.700 -0.046 0.000 2.419 190 S HA -0.176 4.294 4.470 0.001 0.000 0.233 190 S C 1.381 175.964 174.600 -0.028 0.000 1.016 190 S CA 1.219 59.396 58.200 -0.039 0.000 0.974 190 S CB -0.074 63.101 63.200 -0.041 0.000 0.786 190 S HN 0.098 nan 8.310 nan 0.000 0.492 191 D N 1.836 122.220 120.400 -0.026 0.000 2.106 191 D HA -0.030 4.611 4.640 0.001 0.000 0.203 191 D C 2.351 178.678 176.300 0.045 0.000 0.977 191 D CA 1.603 55.601 54.000 -0.003 0.000 0.844 191 D CB -0.649 40.141 40.800 -0.017 0.000 1.002 191 D HN 0.408 nan 8.370 nan 0.000 0.461 192 V N -0.401 119.545 119.914 0.053 0.000 2.688 192 V HA -0.209 3.912 4.120 0.001 0.000 0.256 192 V C 1.833 178.037 176.094 0.182 0.000 1.084 192 V CA 1.568 63.960 62.300 0.154 0.000 1.103 192 V CB -0.685 31.190 31.823 0.086 0.000 0.688 192 V HN 0.100 nan 8.190 nan 0.000 0.480 193 E N 1.021 121.269 120.200 0.081 0.000 2.017 193 E HA -0.173 4.177 4.350 0.001 0.000 0.193 193 E C 2.116 178.735 176.600 0.032 0.000 0.997 193 E CA 2.098 58.525 56.400 0.045 0.000 0.804 193 E CB -0.365 29.333 29.700 -0.004 0.000 0.757 193 E HN 0.730 nan 8.360 nan 0.000 0.448 194 I N 0.945 121.525 120.570 0.017 0.000 2.335 194 I HA -0.275 3.895 4.170 0.001 0.000 0.251 194 I C 2.219 178.336 176.117 -0.000 0.000 1.129 194 I CA 0.984 62.281 61.300 -0.006 0.000 1.402 194 I CB -0.286 37.704 38.000 -0.017 0.000 1.069 194 I HN 0.049 nan 8.210 nan 0.000 0.424 195 L N 0.507 121.758 121.223 0.047 0.000 2.240 195 L HA 0.157 4.498 4.340 0.001 0.000 0.211 195 L C 1.218 178.064 176.870 -0.040 0.000 1.106 195 L CA 0.857 55.722 54.840 0.042 0.000 0.793 195 L CB -0.383 41.747 42.059 0.119 0.000 0.927 195 L HN 0.467 nan 8.230 nan 0.000 0.446 196 G N -1.266 107.500 108.800 -0.056 0.000 2.798 196 G HA2 -0.164 3.796 3.960 0.001 0.000 0.167 196 G HA3 -0.164 3.796 3.960 0.001 0.000 0.167 196 G C -0.787 173.767 174.900 -0.577 0.000 1.082 196 G CA -0.870 44.063 45.100 -0.279 0.000 0.905 196 G HN 0.066 nan 8.290 nan 0.000 0.514 197 Y N -0.611 119.660 120.300 -0.049 0.000 2.625 197 Y HA 0.634 5.185 4.550 0.001 0.000 0.338 197 Y C -0.361 175.520 175.900 -0.032 0.000 1.123 197 Y CA -1.179 56.898 58.100 -0.039 0.000 1.046 197 Y CB 1.731 40.190 38.460 -0.001 0.000 1.299 197 Y HN 0.160 nan 8.280 nan 0.000 0.464 198 D N 2.644 123.127 120.400 0.139 0.000 2.233 198 D HA 0.269 4.910 4.640 0.001 0.000 0.240 198 D C -2.049 174.274 176.300 0.038 0.000 1.074 198 D CA -2.135 51.904 54.000 0.066 0.000 0.838 198 D CB 2.238 43.072 40.800 0.057 0.000 1.124 198 D HN 0.214 nan 8.370 nan 0.000 0.475 199 P HA 0.031 nan 4.420 nan 0.000 0.230 199 P C 1.013 178.273 177.300 -0.067 0.000 1.168 199 P CA 0.484 63.546 63.100 -0.063 0.000 0.793 199 P CB 0.611 32.278 31.700 -0.055 0.000 0.851 200 T N -0.845 113.717 114.554 0.014 0.000 2.837 200 T HA -0.032 4.319 4.350 0.001 0.000 0.248 200 T C 1.801 176.622 174.700 0.202 0.000 1.033 200 T CA 1.841 63.991 62.100 0.084 0.000 1.150 200 T CB -1.226 67.681 68.868 0.066 0.000 0.865 200 T HN 0.107 nan 8.240 nan 0.000 0.425 201 T N 2.768 117.415 114.554 0.154 0.000 2.737 201 T HA 0.008 4.358 4.350 0.001 0.000 0.265 201 T C 1.300 176.187 174.700 0.312 0.000 1.038 201 T CA 1.018 63.228 62.100 0.182 0.000 1.144 201 T CB -0.260 68.672 68.868 0.107 0.000 0.866 201 T HN 0.535 nan 8.240 nan 0.000 0.434 202 S N 0.535 116.359 115.700 0.207 0.000 2.607 202 S HA 0.789 5.259 4.470 0.001 0.000 0.303 202 S C -0.768 173.755 174.600 -0.129 0.000 1.086 202 S CA -1.123 57.175 58.200 0.163 0.000 0.995 202 S CB 2.544 65.772 63.200 0.048 0.000 1.084 202 S HN 0.284 nan 8.310 nan 0.000 0.507 203 R N 0.530 120.832 120.500 -0.329 0.000 2.643 203 R HA 0.381 4.721 4.340 0.001 0.000 0.269 203 R C -2.322 173.641 176.300 -0.562 0.000 1.037 203 R CA -2.059 53.605 56.100 -0.725 0.000 0.894 203 R CB 2.109 31.424 30.300 -1.642 0.000 1.238 203 R HN 0.416 nan 8.270 nan 0.000 0.459 204 P HA -0.213 nan 4.420 nan 0.000 0.216 204 P C 0.319 177.367 177.300 -0.420 0.000 1.157 204 P CA 1.620 64.349 63.100 -0.617 0.000 0.880 204 P CB 0.433 31.454 31.700 -1.132 0.000 0.791 205 E N -0.731 119.195 120.200 -0.457 0.000 2.077 205 E HA -0.173 4.178 4.350 0.001 0.000 0.193 205 E C 1.982 178.559 176.600 -0.040 0.000 0.989 205 E CA 1.156 57.403 56.400 -0.255 0.000 0.800 205 E CB -0.939 28.598 29.700 -0.271 0.000 0.746 205 E HN 0.347 nan 8.360 nan 0.000 0.452 206 W N 0.429 121.652 121.300 -0.128 0.000 2.525 206 W HA 0.055 4.715 4.660 0.001 0.000 0.259 206 W C 1.829 178.290 176.519 -0.097 0.000 1.253 206 W CA 0.379 57.662 57.345 -0.102 0.000 1.262 206 W CB -0.871 28.515 29.460 -0.123 0.000 1.122 206 W HN 0.176 nan 8.180 nan 0.000 0.607 207 M N -0.070 119.551 119.600 0.035 0.000 2.065 207 M HA -0.171 4.309 4.480 0.001 0.000 0.259 207 M C 0.739 177.162 176.300 0.204 0.000 1.071 207 M CA 1.589 56.912 55.300 0.037 0.000 1.109 207 M CB -0.832 31.768 32.600 0.000 0.000 1.313 207 M HN -0.343 nan 8.290 nan 0.000 0.408 208 I N 2.226 122.892 120.570 0.161 0.000 2.406 208 I HA 0.054 4.225 4.170 0.001 0.000 0.293 208 I C -0.511 175.720 176.117 0.189 0.000 1.101 208 I CA -0.340 61.072 61.300 0.188 0.000 1.334 208 I CB -0.019 38.064 38.000 0.138 0.000 1.421 208 I HN 0.163 nan 8.210 nan 0.000 0.513 209 L N 6.542 127.904 121.223 0.231 0.000 2.416 209 L HA 0.202 4.543 4.340 0.001 0.000 0.272 209 L C 1.139 178.107 176.870 0.164 0.000 1.161 209 L CA -0.041 54.927 54.840 0.213 0.000 0.845 209 L CB 0.432 42.659 42.059 0.280 0.000 1.119 209 L HN 0.613 nan 8.230 nan 0.000 0.464 210 T N 0.620 115.251 114.554 0.128 0.000 3.034 210 T HA 0.145 4.496 4.350 0.001 0.000 0.248 210 T C 0.472 175.222 174.700 0.083 0.000 1.040 210 T CA 0.139 62.298 62.100 0.099 0.000 1.107 210 T CB 0.454 69.369 68.868 0.078 0.000 0.932 210 T HN 0.296 nan 8.240 nan 0.000 0.474 211 V N 2.251 122.210 119.914 0.075 0.000 2.487 211 V HA 0.555 4.676 4.120 0.001 0.000 0.298 211 V C -0.859 175.296 176.094 0.102 0.000 1.028 211 V CA -1.101 61.234 62.300 0.059 0.000 0.860 211 V CB 2.240 34.059 31.823 -0.006 0.000 0.991 211 V HN 0.302 nan 8.190 nan 0.000 0.427 212 L N 7.809 129.101 121.223 0.115 0.000 2.287 212 L HA 0.701 5.041 4.340 0.001 0.000 0.287 212 L C -2.457 174.510 176.870 0.161 0.000 1.022 212 L CA -1.680 53.253 54.840 0.156 0.000 0.814 212 L CB 2.566 44.681 42.059 0.093 0.000 1.217 212 L HN 0.453 nan 8.230 nan 0.000 0.420 213 P HA 0.194 nan 4.420 nan 0.000 0.292 213 P C -0.898 176.630 177.300 0.380 0.000 1.287 213 P CA -0.334 62.992 63.100 0.376 0.000 0.800 213 P CB 1.596 33.515 31.700 0.364 0.000 0.945 214 V N 6.112 126.198 119.914 0.286 0.000 2.470 214 V HA 0.179 4.300 4.120 0.001 0.000 0.276 214 V C -1.635 174.512 176.094 0.087 0.000 1.040 214 V CA -1.478 60.904 62.300 0.138 0.000 1.008 214 V CB 0.276 32.109 31.823 0.016 0.000 0.990 214 V HN 0.572 nan 8.190 nan 0.000 0.477 215 P HA 0.245 nan 4.420 nan 0.000 0.272 215 P C -2.737 174.286 177.300 -0.461 0.000 1.223 215 P CA -1.792 61.050 63.100 -0.430 0.000 0.784 215 P CB -0.036 31.611 31.700 -0.087 0.000 0.923 216 P HA 0.122 nan 4.420 nan 0.000 0.267 216 P C 1.320 178.520 177.300 -0.167 0.000 1.200 216 P CA 0.072 62.976 63.100 -0.327 0.000 0.772 216 P CB 0.231 31.753 31.700 -0.296 0.000 0.855 217 I N 2.012 122.525 120.570 -0.094 0.000 2.502 217 I HA -0.264 3.906 4.170 0.001 0.000 0.258 217 I C 0.978 177.069 176.117 -0.044 0.000 1.172 217 I CA 1.682 62.948 61.300 -0.056 0.000 1.430 217 I CB -0.121 37.855 38.000 -0.041 0.000 1.086 217 I HN 0.319 nan 8.210 nan 0.000 0.440 218 T N 0.847 115.375 114.554 -0.043 0.000 3.098 218 T HA -0.003 4.347 4.350 0.001 0.000 0.266 218 T C 1.552 176.230 174.700 -0.038 0.000 1.145 218 T CA 0.962 63.044 62.100 -0.030 0.000 1.092 218 T CB -0.176 68.681 68.868 -0.018 0.000 0.908 218 T HN 0.426 nan 8.240 nan 0.000 0.526 219 I N -0.012 120.526 120.570 -0.053 0.000 4.035 219 I HA 0.177 4.347 4.170 0.001 0.000 0.321 219 I C 0.144 176.246 176.117 -0.026 0.000 1.289 219 I CA 0.017 61.291 61.300 -0.042 0.000 1.236 219 I CB 0.342 38.308 38.000 -0.056 0.000 1.076 219 I HN 0.018 nan 8.210 nan 0.000 0.418 220 R N 1.322 121.807 120.500 -0.024 0.000 2.629 220 R HA 0.323 4.664 4.340 0.001 0.000 0.277 220 R C -2.669 173.624 176.300 -0.011 0.000 1.637 220 R CA -1.477 54.618 56.100 -0.009 0.000 1.663 220 R CB -0.330 29.974 30.300 0.007 0.000 1.228 220 R HN -0.038 nan 8.270 nan 0.000 0.632 221 P HA 0.149 nan 4.420 nan 0.000 0.275 221 P C -0.444 176.850 177.300 -0.011 0.000 1.270 221 P CA -0.297 62.795 63.100 -0.013 0.000 0.791 221 P CB 0.810 32.502 31.700 -0.013 0.000 1.089 222 S N -1.270 114.423 115.700 -0.012 0.000 2.654 222 S HA 0.767 5.238 4.470 0.001 0.000 0.283 222 S C 0.610 175.203 174.600 -0.012 0.000 1.180 222 S CA -0.277 57.916 58.200 -0.012 0.000 1.021 222 S CB 0.800 63.993 63.200 -0.012 0.000 1.018 222 S HN 0.668 nan 8.310 nan 0.000 0.532 223 I N -0.882 119.680 120.570 -0.013 0.000 3.263 223 I HA 0.899 5.070 4.170 0.001 0.000 0.314 223 I C 0.154 176.264 176.117 -0.013 0.000 1.269 223 I CA -1.335 59.958 61.300 -0.012 0.000 0.942 223 I CB 0.284 38.276 38.000 -0.012 0.000 1.305 223 I HN 0.994 nan 8.210 nan 0.000 0.474 232 E N 1.849 122.039 120.200 -0.017 0.000 2.343 232 E HA 0.502 4.853 4.350 0.001 0.000 0.288 232 E C -1.397 175.190 176.600 -0.022 0.000 0.907 232 E CA -0.243 56.141 56.400 -0.025 0.000 0.792 232 E CB 1.210 30.892 29.700 -0.029 0.000 1.275 232 E HN 0.639 nan 8.360 nan 0.000 0.402 233 D N 2.283 122.669 120.400 -0.023 0.000 2.689 233 D HA 0.356 4.997 4.640 0.001 0.000 0.255 233 D C 0.015 176.308 176.300 -0.011 0.000 1.113 233 D CA -0.492 53.503 54.000 -0.009 0.000 1.115 233 D CB 1.658 42.463 40.800 0.009 0.000 1.334 233 D HN 0.455 nan 8.370 nan 0.000 0.621 234 D N -0.703 119.705 120.400 0.013 0.000 2.829 234 D HA 0.027 4.668 4.640 0.001 0.000 0.250 234 D C 1.823 178.166 176.300 0.071 0.000 1.304 234 D CA -0.214 53.803 54.000 0.029 0.000 1.197 234 D CB 0.713 41.523 40.800 0.017 0.000 1.501 234 D HN 0.153 nan 8.370 nan 0.000 0.424 235 L N 1.548 122.806 121.223 0.057 0.000 2.083 235 L HA -0.099 4.241 4.340 0.001 0.000 0.209 235 L C 2.195 179.134 176.870 0.115 0.000 1.083 235 L CA 1.588 56.477 54.840 0.081 0.000 0.752 235 L CB -0.301 41.790 42.059 0.054 0.000 0.899 235 L HN 0.055 nan 8.230 nan 0.000 0.433 236 T N -1.907 112.694 114.554 0.077 0.000 2.737 236 T HA -0.292 4.059 4.350 0.001 0.000 0.269 236 T C 1.759 176.484 174.700 0.043 0.000 1.040 236 T CA 1.656 63.787 62.100 0.052 0.000 1.142 236 T CB -0.552 68.333 68.868 0.028 0.000 0.861 236 T HN 0.517 nan 8.240 nan 0.000 0.456 237 H N 2.218 121.261 119.070 -0.044 0.000 2.270 237 H HA -0.076 4.481 4.556 0.001 0.000 0.299 237 H C 2.175 177.446 175.328 -0.094 0.000 1.077 237 H CA 1.865 57.843 56.048 -0.116 0.000 1.294 237 H CB 0.025 29.671 29.762 -0.194 0.000 1.371 237 H HN 0.431 nan 8.280 nan 0.000 0.491 238 K N 0.488 120.925 120.400 0.061 0.000 2.519 238 K HA -0.075 4.246 4.320 0.001 0.000 0.196 238 K C 2.056 178.668 176.600 0.020 0.000 1.041 238 K CA 0.978 57.319 56.287 0.090 0.000 0.954 238 K CB -0.023 32.595 32.500 0.197 0.000 0.774 238 K HN 0.257 nan 8.250 nan 0.000 0.480 239 L N 0.239 121.449 121.223 -0.022 0.000 2.253 239 L HA -0.005 4.336 4.340 0.001 0.000 0.205 239 L C 1.921 178.676 176.870 -0.191 0.000 1.078 239 L CA 0.206 54.970 54.840 -0.127 0.000 0.805 239 L CB 0.258 42.283 42.059 -0.056 0.000 0.963 239 L HN -0.005 nan 8.230 nan 0.000 0.459 240 V N 0.082 119.875 119.914 -0.201 0.000 2.407 240 V HA -0.275 3.846 4.120 0.001 0.000 0.248 240 V C 2.002 177.934 176.094 -0.270 0.000 1.055 240 V CA 1.847 64.014 62.300 -0.221 0.000 1.049 240 V CB -0.719 30.957 31.823 -0.245 0.000 0.662 240 V HN 0.468 nan 8.190 nan 0.000 0.455 241 D N 0.361 120.538 120.400 -0.373 0.000 2.158 241 D HA -0.172 4.469 4.640 0.001 0.000 0.197 241 D C 2.005 178.001 176.300 -0.506 0.000 0.995 241 D CA 1.431 55.102 54.000 -0.548 0.000 0.846 241 D CB -0.285 40.017 40.800 -0.830 0.000 0.941 241 D HN 0.432 nan 8.370 nan 0.000 0.456 242 I N 0.619 120.988 120.570 -0.335 0.000 2.076 242 I HA -0.275 3.895 4.170 0.001 0.000 0.237 242 I C 2.474 178.516 176.117 -0.125 0.000 1.059 242 I CA 0.868 62.061 61.300 -0.179 0.000 1.317 242 I CB -0.536 37.349 38.000 -0.190 0.000 1.037 242 I HN -0.109 nan 8.210 nan 0.000 0.398 243 V N 0.612 120.447 119.914 -0.133 0.000 2.453 243 V HA -0.316 3.804 4.120 0.001 0.000 0.252 243 V C 2.568 178.622 176.094 -0.067 0.000 1.068 243 V CA 1.911 64.159 62.300 -0.087 0.000 1.070 243 V CB -1.007 30.763 31.823 -0.088 0.000 0.664 243 V HN 0.389 nan 8.190 nan 0.000 0.461 244 R N -0.327 120.118 120.500 -0.092 0.000 2.057 244 R HA -0.074 4.266 4.340 0.001 0.000 0.229 244 R C 2.250 178.540 176.300 -0.017 0.000 1.136 244 R CA 1.509 57.573 56.100 -0.059 0.000 0.952 244 R CB -0.101 30.151 30.300 -0.081 0.000 0.848 244 R HN 0.376 nan 8.270 nan 0.000 0.430 245 I N 0.798 121.366 120.570 -0.003 0.000 2.439 245 I HA -0.164 4.006 4.170 0.001 0.000 0.251 245 I C 1.619 177.767 176.117 0.051 0.000 1.139 245 I CA 1.089 62.423 61.300 0.057 0.000 1.438 245 I CB -1.354 36.727 38.000 0.136 0.000 1.085 245 I HN 0.169 nan 8.210 nan 0.000 0.427 246 N N 0.822 119.538 118.700 0.027 0.000 2.571 246 N HA -0.178 4.562 4.740 0.001 0.000 0.189 246 N C 1.512 177.034 175.510 0.021 0.000 1.154 246 N CA 0.538 53.605 53.050 0.029 0.000 0.907 246 N CB 0.137 38.630 38.487 0.011 0.000 0.977 246 N HN 0.242 nan 8.380 nan 0.000 0.449 247 E N -0.642 119.567 120.200 0.015 0.000 2.399 247 E HA 0.224 4.574 4.350 0.001 0.000 0.205 247 E C 1.524 178.137 176.600 0.022 0.000 0.906 247 E CA 0.330 56.738 56.400 0.013 0.000 0.998 247 E CB 0.214 29.914 29.700 -0.000 0.000 1.002 247 E HN 0.170 nan 8.360 nan 0.000 0.501 248 R N 0.030 120.548 120.500 0.030 0.000 2.115 248 R HA 0.084 4.424 4.340 0.001 0.000 0.226 248 R C 2.093 178.421 176.300 0.046 0.000 1.100 248 R CA 0.815 56.937 56.100 0.037 0.000 0.980 248 R CB -0.062 30.265 30.300 0.045 0.000 0.875 248 R HN 0.230 nan 8.270 nan 0.000 0.445 249 L N 0.646 121.904 121.223 0.057 0.000 2.072 249 L HA -0.121 4.219 4.340 0.001 0.000 0.205 249 L C 2.261 179.157 176.870 0.045 0.000 1.079 249 L CA 1.286 56.164 54.840 0.063 0.000 0.752 249 L CB -0.275 41.837 42.059 0.088 0.000 0.906 249 L HN 0.099 nan 8.230 nan 0.000 0.436 250 K N 0.040 120.463 120.400 0.038 0.000 2.113 250 K HA -0.259 4.061 4.320 0.001 0.000 0.208 250 K C 1.846 178.459 176.600 0.022 0.000 1.047 250 K CA 1.652 57.956 56.287 0.028 0.000 0.928 250 K CB -0.028 32.486 32.500 0.023 0.000 0.716 250 K HN 0.227 nan 8.250 nan 0.000 0.446 251 E N -0.070 120.144 120.200 0.022 0.000 2.442 251 E HA -0.033 4.317 4.350 0.001 0.000 0.195 251 E C 0.975 177.586 176.600 0.018 0.000 1.030 251 E CA 0.391 56.801 56.400 0.017 0.000 0.869 251 E CB 0.424 30.133 29.700 0.016 0.000 0.857 251 E HN 0.224 nan 8.360 nan 0.000 0.505 252 S N -0.794 114.919 115.700 0.022 0.000 2.597 252 S HA 0.157 4.627 4.470 0.001 0.000 0.224 252 S C 1.430 176.039 174.600 0.014 0.000 0.955 252 S CA -0.285 57.927 58.200 0.020 0.000 0.933 252 S CB -0.107 63.109 63.200 0.026 0.000 0.788 252 S HN 0.187 nan 8.310 nan 0.000 0.488 253 I N 1.176 121.754 120.570 0.014 0.000 2.480 253 I HA 0.049 4.219 4.170 0.001 0.000 0.251 253 I C 1.136 177.256 176.117 0.005 0.000 1.124 253 I CA 0.950 62.256 61.300 0.009 0.000 1.444 253 I CB -0.050 37.956 38.000 0.011 0.000 1.098 253 I HN 0.212 nan 8.210 nan 0.000 0.428 254 D N 0.380 120.784 120.400 0.007 0.000 2.449 254 D HA 0.228 4.869 4.640 0.001 0.000 0.210 254 D C 0.467 176.770 176.300 0.005 0.000 1.094 254 D CA 0.170 54.173 54.000 0.005 0.000 0.846 254 D CB 0.640 41.443 40.800 0.005 0.000 1.003 254 D HN 0.143 nan 8.370 nan 0.000 0.504 255 A N 0.372 123.196 122.820 0.006 0.000 2.536 255 A HA 0.664 4.985 4.320 0.001 0.000 0.329 255 A C 1.257 178.845 177.584 0.006 0.000 1.321 255 A CA -0.050 51.991 52.037 0.006 0.000 0.804 255 A CB -0.109 18.896 19.000 0.007 0.000 1.126 255 A HN 0.165 nan 8.150 nan 0.000 0.480 256 G N 1.955 110.757 108.800 0.004 0.000 2.698 256 G HA2 0.150 4.111 3.960 0.001 0.000 0.337 256 G HA3 0.150 4.111 3.960 0.001 0.000 0.337 256 G C 0.938 175.840 174.900 0.003 0.000 1.196 256 G CA 1.916 47.018 45.100 0.003 0.000 0.965 256 G HN 2.900 nan 8.290 nan 0.000 0.550 257 A N -1.552 121.271 122.820 0.005 0.000 2.189 257 A HA 0.321 4.641 4.320 0.001 0.000 0.563 257 A C -0.954 176.632 177.584 0.003 0.000 0.534 257 A CA 0.964 53.005 52.037 0.007 0.000 0.372 257 A CB -1.908 17.096 19.000 0.008 0.000 3.240 257 A HN 1.382 nan 8.150 nan 0.000 0.455 258 P HA 0.288 nan 4.420 nan 0.000 0.291 258 P C 1.124 178.426 177.300 0.004 0.000 1.287 258 P CA -0.275 62.828 63.100 0.005 0.000 0.767 258 P CB 0.384 32.090 31.700 0.010 0.000 1.290 259 Q N -1.012 118.790 119.800 0.004 0.000 2.259 259 Q HA 0.112 4.452 4.340 0.001 0.000 0.201 259 Q C 2.006 178.017 176.000 0.018 0.000 0.938 259 Q CA 0.996 56.799 55.803 0.001 0.000 0.872 259 Q CB -0.553 28.182 28.738 -0.004 0.000 0.971 259 Q HN 0.342 nan 8.270 nan 0.000 0.494 260 L N 0.209 121.450 121.223 0.029 0.000 2.093 260 L HA -0.112 4.229 4.340 0.001 0.000 0.208 260 L C 2.267 179.171 176.870 0.058 0.000 1.085 260 L CA 0.692 55.560 54.840 0.047 0.000 0.755 260 L CB -0.264 41.819 42.059 0.039 0.000 0.904 260 L HN 0.170 nan 8.230 nan 0.000 0.435 261 I N -0.265 120.331 120.570 0.044 0.000 2.099 261 I HA -0.362 3.808 4.170 0.001 0.000 0.239 261 I C 2.354 178.511 176.117 0.066 0.000 1.066 261 I CA 1.771 63.100 61.300 0.048 0.000 1.324 261 I CB -0.200 37.820 38.000 0.033 0.000 1.037 261 I HN 0.197 nan 8.210 nan 0.000 0.401 262 I N 0.167 120.769 120.570 0.054 0.000 3.176 262 I HA -0.189 3.982 4.170 0.001 0.000 0.275 262 I C 1.972 178.158 176.117 0.115 0.000 1.298 262 I CA 1.157 62.495 61.300 0.062 0.000 1.445 262 I CB -0.075 37.932 38.000 0.012 0.000 1.075 262 I HN 0.243 nan 8.210 nan 0.000 0.482 263 E N -0.291 119.994 120.200 0.142 0.000 2.389 263 E HA -0.078 4.273 4.350 0.001 0.000 0.199 263 E C 1.050 177.837 176.600 0.313 0.000 0.978 263 E CA 0.140 56.716 56.400 0.293 0.000 0.912 263 E CB 0.287 30.114 29.700 0.212 0.000 0.907 263 E HN 0.425 nan 8.360 nan 0.000 0.494 264 D N 0.569 121.074 120.400 0.175 0.000 2.317 264 D HA -0.040 4.601 4.640 0.001 0.000 0.211 264 D C 1.775 178.137 176.300 0.102 0.000 0.966 264 D CA 0.666 54.735 54.000 0.114 0.000 0.876 264 D CB 0.392 41.234 40.800 0.070 0.000 0.927 264 D HN 0.211 nan 8.370 nan 0.000 0.519 265 L N -1.168 120.143 121.223 0.146 0.000 2.221 265 L HA 0.072 4.413 4.340 0.001 0.000 0.202 265 L C 2.281 179.259 176.870 0.180 0.000 1.074 265 L CA 0.074 54.997 54.840 0.139 0.000 0.795 265 L CB -0.352 41.786 42.059 0.131 0.000 0.960 265 L HN 0.075 nan 8.230 nan 0.000 0.458 266 W N 1.964 123.287 121.300 0.038 0.000 2.387 266 W HA -0.183 4.477 4.660 0.001 0.000 0.272 266 W C 1.476 178.024 176.519 0.048 0.000 1.224 266 W CA 1.217 58.587 57.345 0.043 0.000 1.210 266 W CB -0.046 29.435 29.460 0.034 0.000 1.125 266 W HN 0.106 nan 8.180 nan 0.000 0.572 267 D N 0.120 120.425 120.400 -0.158 0.000 2.350 267 D HA 0.007 4.648 4.640 0.001 0.000 0.213 267 D C 2.056 178.265 176.300 -0.152 0.000 1.031 267 D CA 0.687 54.497 54.000 -0.317 0.000 0.861 267 D CB -0.054 40.635 40.800 -0.186 0.000 0.926 267 D HN 0.314 nan 8.370 nan 0.000 0.520 268 L N -0.143 121.043 121.223 -0.062 0.000 2.298 268 L HA 0.099 4.439 4.340 0.001 0.000 0.209 268 L C 2.238 179.133 176.870 0.042 0.000 1.084 268 L CA 0.276 55.094 54.840 -0.036 0.000 0.816 268 L CB 0.166 42.241 42.059 0.027 0.000 0.967 268 L HN -0.044 nan 8.230 nan 0.000 0.460 269 L N -0.776 120.483 121.223 0.060 0.000 2.217 269 L HA -0.144 4.197 4.340 0.001 0.000 0.211 269 L C 2.251 179.116 176.870 -0.007 0.000 1.107 269 L CA 0.894 55.777 54.840 0.071 0.000 0.783 269 L CB -0.243 41.859 42.059 0.072 0.000 0.919 269 L HN 0.323 nan 8.230 nan 0.000 0.442 270 Q N -1.475 118.264 119.800 -0.103 0.000 2.488 270 Q HA -0.190 4.150 4.340 0.001 0.000 0.211 270 Q C 1.492 177.456 176.000 -0.060 0.000 0.967 270 Q CA 1.125 56.844 55.803 -0.140 0.000 0.926 270 Q CB 0.206 28.745 28.738 -0.330 0.000 0.992 270 Q HN 0.514 nan 8.270 nan 0.000 0.506 271 Y N -1.335 118.860 120.300 -0.175 0.000 2.382 271 Y HA -0.017 4.534 4.550 0.001 0.000 0.292 271 Y C 2.121 177.925 175.900 -0.160 0.000 1.151 271 Y CA 0.801 58.783 58.100 -0.196 0.000 1.198 271 Y CB 0.132 38.414 38.460 -0.296 0.000 1.195 271 Y HN 0.078 nan 8.280 nan 0.000 0.530 272 H N -0.607 118.481 119.070 0.029 0.000 2.321 272 H HA -0.122 4.435 4.556 0.001 0.000 0.300 272 H C 2.431 177.652 175.328 -0.178 0.000 1.087 272 H CA 1.995 58.010 56.048 -0.054 0.000 1.319 272 H CB -0.538 29.242 29.762 0.031 0.000 1.379 272 H HN 0.288 nan 8.280 nan 0.000 0.501 273 V N 1.037 120.915 119.914 -0.061 0.000 2.358 273 V HA -0.196 3.924 4.120 0.001 0.000 0.246 273 V C 2.752 178.593 176.094 -0.422 0.000 1.047 273 V CA 1.420 63.564 62.300 -0.260 0.000 1.035 273 V CB -0.956 30.786 31.823 -0.134 0.000 0.658 273 V HN 0.457 nan 8.190 nan 0.000 0.452 274 A N -0.618 122.077 122.820 -0.208 0.000 1.972 274 A HA -0.211 4.109 4.320 0.001 0.000 0.219 274 A C 2.378 179.833 177.584 -0.215 0.000 1.169 274 A CA 2.396 54.348 52.037 -0.140 0.000 0.635 274 A CB -0.779 18.151 19.000 -0.117 0.000 0.810 274 A HN 0.499 nan 8.150 nan 0.000 0.446 275 T N -1.684 112.675 114.554 -0.325 0.000 2.770 275 T HA -0.130 4.221 4.350 0.001 0.000 0.263 275 T C 1.774 176.381 174.700 -0.155 0.000 1.039 275 T CA 1.526 63.451 62.100 -0.292 0.000 1.142 275 T CB -0.423 68.224 68.868 -0.369 0.000 0.868 275 T HN 0.627 nan 8.240 nan 0.000 0.435 276 Y N 1.457 121.561 120.300 -0.327 0.000 2.207 276 Y HA -0.187 4.364 4.550 0.001 0.000 0.287 276 Y C 1.489 177.247 175.900 -0.237 0.000 1.156 276 Y CA 1.177 59.092 58.100 -0.309 0.000 1.182 276 Y CB -0.495 37.712 38.460 -0.422 0.000 0.979 276 Y HN 0.150 nan 8.280 nan 0.000 0.521 277 F N 0.280 120.147 119.950 -0.138 0.000 2.012 277 F HA 0.044 4.571 4.527 0.001 0.000 0.289 277 F C 1.184 176.879 175.800 -0.175 0.000 1.185 277 F CA 0.956 58.825 58.000 -0.219 0.000 1.149 277 F CB -1.148 37.744 39.000 -0.181 0.000 0.994 277 F HN -0.102 nan 8.300 nan 0.000 0.481 278 D N -0.832 119.619 120.400 0.085 0.000 2.228 278 D HA 0.206 4.846 4.640 0.001 0.000 0.247 278 D C -0.607 175.665 176.300 -0.046 0.000 0.995 278 D CA -0.322 53.681 54.000 0.004 0.000 0.903 278 D CB 0.945 41.747 40.800 0.004 0.000 1.205 278 D HN 0.238 nan 8.370 nan 0.000 0.459 279 N N 2.083 120.758 118.700 -0.042 0.000 2.453 279 N HA 0.043 4.783 4.740 0.001 0.000 0.267 279 N C -0.185 175.307 175.510 -0.029 0.000 1.482 279 N CA 0.094 53.110 53.050 -0.056 0.000 0.841 279 N CB 0.834 39.290 38.487 -0.051 0.000 1.408 279 N HN 0.537 nan 8.380 nan 0.000 0.490 280 E N -0.116 120.072 120.200 -0.020 0.000 3.874 280 E HA 0.203 4.553 4.350 0.001 0.000 0.216 280 E C 1.325 177.920 176.600 -0.007 0.000 1.307 280 E CA -0.142 56.253 56.400 -0.008 0.000 1.536 280 E CB -0.085 29.614 29.700 -0.002 0.000 1.996 280 E HN 0.115 nan 8.360 nan 0.000 0.602 281 I N 2.647 123.214 120.570 -0.006 0.000 2.182 281 I HA -0.222 3.948 4.170 0.001 0.000 0.248 281 I C -1.207 174.906 176.117 -0.007 0.000 1.073 281 I CA 0.669 61.966 61.300 -0.006 0.000 1.335 281 I CB -1.656 36.341 38.000 -0.006 0.000 1.031 281 I HN 0.230 nan 8.210 nan 0.000 0.420 282 P HA -0.056 nan 4.420 nan 0.000 0.271 282 P C 0.272 177.573 177.300 0.003 0.000 1.212 282 P CA 0.416 63.512 63.100 -0.006 0.000 0.788 282 P CB 0.189 31.880 31.700 -0.016 0.000 0.865 283 G N 2.085 110.891 108.800 0.010 0.000 2.624 283 G HA2 0.070 4.031 3.960 0.001 0.000 0.292 283 G HA3 0.070 4.031 3.960 0.001 0.000 0.292 283 G C 0.276 175.187 174.900 0.020 0.000 0.777 283 G CA -0.315 44.792 45.100 0.012 0.000 1.883 283 G HN 0.690 nan 8.290 nan 0.000 0.505 284 L N 1.576 122.808 121.223 0.016 0.000 3.875 284 L HA -0.202 4.139 4.340 0.001 0.000 0.525 284 L C -0.682 176.215 176.870 0.045 0.000 1.053 284 L CA -0.514 54.340 54.840 0.022 0.000 0.776 284 L CB 0.304 42.370 42.059 0.011 0.000 1.082 284 L HN 0.484 nan 8.230 nan 0.000 0.732 285 P HA -0.020 nan 4.420 nan 0.000 0.214 285 P C -1.450 175.929 177.300 0.132 0.000 1.162 285 P CA 0.862 64.066 63.100 0.173 0.000 0.874 285 P CB -0.324 31.541 31.700 0.276 0.000 0.784 286 P HA 0.262 nan 4.420 nan 0.000 0.298 286 P C -0.875 176.461 177.300 0.059 0.000 1.802 286 P CA -0.375 62.765 63.100 0.066 0.000 1.331 286 P CB 0.201 31.919 31.700 0.029 0.000 1.699 287 S N 0.615 116.390 115.700 0.124 0.000 3.984 287 S HA -0.169 4.301 4.470 0.001 0.000 0.510 287 S C -0.327 174.257 174.600 -0.026 0.000 0.814 287 S CA 0.751 58.996 58.200 0.074 0.000 1.277 287 S CB -0.864 62.392 63.200 0.093 0.000 1.820 287 S HN 0.400 nan 8.310 nan 0.000 0.521 288 K N 2.997 123.324 120.400 -0.122 0.000 2.395 288 K HA 0.730 5.050 4.320 0.001 0.000 0.245 288 K C -0.871 175.559 176.600 -0.282 0.000 1.017 288 K CA -0.898 55.322 56.287 -0.111 0.000 0.852 288 K CB 1.451 33.925 32.500 -0.044 0.000 1.311 288 K HN 0.694 nan 8.250 nan 0.000 0.452 289 H N 0.030 119.131 119.070 0.052 0.000 2.966 289 H HA 0.259 4.816 4.556 0.001 0.000 0.347 289 H C -0.311 175.005 175.328 -0.021 0.000 1.048 289 H CA -0.623 55.445 56.048 0.032 0.000 1.295 289 H CB 1.690 31.462 29.762 0.016 0.000 1.744 289 H HN 0.586 nan 8.280 nan 0.000 0.513 290 R N -0.189 120.394 120.500 0.138 0.000 1.422 290 R HA -0.315 4.026 4.340 0.001 0.000 0.053 290 R C 1.724 178.043 176.300 0.032 0.000 0.951 290 R CA 2.545 58.680 56.100 0.059 0.000 1.793 290 R CB -1.799 28.508 30.300 0.010 0.000 0.392 290 R HN 0.668 nan 8.270 nan 0.000 0.663 291 S N -0.009 115.705 115.700 0.023 0.000 2.547 291 S HA 0.163 4.633 4.470 0.001 0.000 0.235 291 S C 1.430 176.039 174.600 0.014 0.000 0.980 291 S CA 0.942 59.150 58.200 0.013 0.000 0.941 291 S CB 0.134 63.339 63.200 0.007 0.000 0.763 291 S HN 1.147 nan 8.310 nan 0.000 0.532 292 G N 1.678 110.488 108.800 0.018 0.000 2.233 292 G HA2 -0.339 3.621 3.960 0.001 0.000 0.270 292 G HA3 -0.339 3.621 3.960 0.001 0.000 0.270 292 G C 0.004 174.907 174.900 0.005 0.000 1.011 292 G CA 0.501 45.605 45.100 0.008 0.000 0.762 292 G HN 0.749 nan 8.290 nan 0.000 0.511 293 R N 0.193 120.700 120.500 0.012 0.000 2.514 293 R HA 0.533 4.874 4.340 0.001 0.000 0.301 293 R C -2.445 173.866 176.300 0.017 0.000 0.962 293 R CA -2.174 53.933 56.100 0.012 0.000 0.882 293 R CB 1.486 31.793 30.300 0.012 0.000 1.143 293 R HN -0.009 nan 8.270 nan 0.000 0.452 294 P HA -0.111 nan 4.420 nan 0.000 0.267 294 P C -0.764 176.555 177.300 0.031 0.000 1.195 294 P CA 0.033 63.144 63.100 0.018 0.000 0.773 294 P CB 0.395 32.103 31.700 0.013 0.000 0.837 295 L N 2.993 124.243 121.223 0.044 0.000 2.360 295 L HA 0.330 4.670 4.340 0.001 0.000 0.271 295 L C 0.701 177.591 176.870 0.033 0.000 1.057 295 L CA -0.540 54.336 54.840 0.060 0.000 0.803 295 L CB 0.924 43.053 42.059 0.118 0.000 1.207 295 L HN 0.330 nan 8.230 nan 0.000 0.445 296 R N 0.433 120.949 120.500 0.027 0.000 2.408 296 R HA 0.341 4.681 4.340 0.001 0.000 0.308 296 R C 0.356 176.655 176.300 -0.002 0.000 1.210 296 R CA -0.411 55.695 56.100 0.009 0.000 1.115 296 R CB -0.244 30.060 30.300 0.006 0.000 1.127 296 R HN 0.669 nan 8.270 nan 0.000 0.523 297 T N -1.818 112.727 114.554 -0.015 0.000 2.814 297 T HA 0.233 4.584 4.350 0.001 0.000 0.284 297 T C 1.399 176.055 174.700 -0.073 0.000 0.998 297 T CA -0.891 61.177 62.100 -0.053 0.000 0.935 297 T CB 0.729 69.558 68.868 -0.064 0.000 1.167 297 T HN 0.374 nan 8.240 nan 0.000 0.545 298 L N 0.009 121.148 121.223 -0.141 0.000 2.131 298 L HA 0.039 4.379 4.340 0.001 0.000 0.210 298 L C 2.542 179.391 176.870 -0.034 0.000 1.092 298 L CA 1.321 56.090 54.840 -0.118 0.000 0.759 298 L CB -0.591 41.338 42.059 -0.216 0.000 0.903 298 L HN 0.911 nan 8.230 nan 0.000 0.435 299 A N -1.517 121.294 122.820 -0.014 0.000 2.462 299 A HA 0.110 4.430 4.320 0.001 0.000 0.261 299 A C 1.439 179.030 177.584 0.013 0.000 1.323 299 A CA -0.021 52.025 52.037 0.014 0.000 0.913 299 A CB 0.019 19.032 19.000 0.022 0.000 1.028 299 A HN 0.483 nan 8.150 nan 0.000 0.511 300 Q N -1.685 118.117 119.800 0.002 0.000 2.215 300 Q HA 0.156 4.496 4.340 0.001 0.000 0.257 300 Q C 1.768 177.771 176.000 0.006 0.000 0.792 300 Q CA -0.209 55.598 55.803 0.008 0.000 0.958 300 Q CB 0.399 29.137 28.738 0.001 0.000 1.158 300 Q HN 0.576 nan 8.270 nan 0.000 0.490 301 R N 0.736 121.232 120.500 -0.007 0.000 2.091 301 R HA -0.108 4.232 4.340 0.001 0.000 0.238 301 R C 2.018 178.309 176.300 -0.016 0.000 1.136 301 R CA 1.449 57.539 56.100 -0.016 0.000 0.959 301 R CB -0.162 30.120 30.300 -0.029 0.000 0.856 301 R HN 0.185 nan 8.270 nan 0.000 0.437 302 L N 0.145 121.366 121.223 -0.002 0.000 2.068 302 L HA -0.064 4.277 4.340 0.001 0.000 0.204 302 L C 2.560 179.498 176.870 0.112 0.000 1.076 302 L CA 1.012 55.865 54.840 0.022 0.000 0.753 302 L CB -0.491 41.608 42.059 0.066 0.000 0.910 302 L HN 0.085 nan 8.230 nan 0.000 0.439 303 K N 1.026 121.480 120.400 0.090 0.000 2.211 303 K HA -0.089 4.231 4.320 0.001 0.000 0.204 303 K C 1.038 177.680 176.600 0.070 0.000 1.047 303 K CA 0.706 57.044 56.287 0.086 0.000 0.935 303 K CB -0.287 32.242 32.500 0.049 0.000 0.728 303 K HN 0.317 nan 8.250 nan 0.000 0.452 304 G N 1.118 109.949 108.800 0.052 0.000 2.559 304 G HA2 -0.099 3.861 3.960 0.001 0.000 0.235 304 G HA3 -0.099 3.861 3.960 0.001 0.000 0.235 304 G C 0.029 174.955 174.900 0.044 0.000 1.266 304 G CA -0.360 44.763 45.100 0.037 0.000 0.847 304 G HN 0.285 nan 8.290 nan 0.000 0.583 305 K N 0.345 120.761 120.400 0.027 0.000 2.458 305 K HA 0.058 4.379 4.320 0.001 0.000 0.194 305 K C 0.539 177.150 176.600 0.019 0.000 1.024 305 K CA 0.551 56.849 56.287 0.019 0.000 1.108 305 K CB 0.719 33.219 32.500 0.001 0.000 0.846 305 K HN 0.665 nan 8.250 nan 0.000 0.518 306 E N 0.325 120.538 120.200 0.020 0.000 2.743 306 E HA 0.090 4.440 4.350 0.001 0.000 0.222 306 E C 0.019 176.625 176.600 0.010 0.000 0.959 306 E CA -0.296 56.112 56.400 0.014 0.000 1.198 306 E CB 1.517 31.223 29.700 0.009 0.000 1.100 306 E HN 0.186 nan 8.360 nan 0.000 0.518 307 G N 0.925 109.734 108.800 0.014 0.000 2.544 307 G HA2 0.404 4.364 3.960 0.001 0.000 0.313 307 G HA3 0.404 4.364 3.960 0.001 0.000 0.313 307 G C 0.344 175.233 174.900 -0.019 0.000 1.316 307 G CA -0.312 44.785 45.100 -0.004 0.000 0.944 307 G HN -0.128 nan 8.290 nan 0.000 0.489 308 R N 0.841 121.302 120.500 -0.065 0.000 3.956 308 R HA -0.284 4.057 4.340 0.001 0.000 0.281 308 R C 1.788 178.024 176.300 -0.108 0.000 0.339 308 R CA 2.220 58.222 56.100 -0.164 0.000 1.009 308 R CB -1.832 28.268 30.300 -0.333 0.000 0.951 308 R HN 0.618 nan 8.270 nan 0.000 0.579 309 F N 1.351 121.306 119.950 0.008 0.000 2.087 309 F HA -0.221 4.306 4.527 0.001 0.000 0.299 309 F C 2.775 178.573 175.800 -0.003 0.000 1.100 309 F CA 2.251 60.254 58.000 0.004 0.000 1.226 309 F CB -0.246 38.754 39.000 0.001 0.000 0.983 309 F HN 0.231 nan 8.300 nan 0.000 0.479 310 R N -0.599 120.003 120.500 0.170 0.000 2.090 310 R HA 0.049 4.390 4.340 0.001 0.000 0.219 310 R C 2.518 178.848 176.300 0.049 0.000 1.100 310 R CA 0.859 57.010 56.100 0.085 0.000 0.991 310 R CB -0.780 29.553 30.300 0.055 0.000 0.893 310 R HN 0.348 nan 8.270 nan 0.000 0.443 311 G N 0.446 109.266 108.800 0.034 0.000 2.395 311 G HA2 -0.179 3.782 3.960 0.001 0.000 0.214 311 G HA3 -0.179 3.782 3.960 0.001 0.000 0.214 311 G C 0.904 175.808 174.900 0.006 0.000 1.177 311 G CA 0.570 45.678 45.100 0.014 0.000 0.794 311 G HN 0.317 nan 8.290 nan 0.000 0.532 312 N N -1.220 117.475 118.700 -0.008 0.000 2.143 312 N HA 0.348 5.089 4.740 0.001 0.000 0.222 312 N C 1.205 176.706 175.510 -0.016 0.000 1.264 312 N CA -0.151 52.889 53.050 -0.017 0.000 0.897 312 N CB 0.833 39.298 38.487 -0.037 0.000 1.092 312 N HN 0.187 nan 8.380 nan 0.000 0.516 313 L N -1.735 119.488 121.223 0.000 0.000 2.638 313 L HA 0.308 4.648 4.340 0.001 0.000 0.195 313 L C 1.721 178.628 176.870 0.061 0.000 1.065 313 L CA 0.386 55.239 54.840 0.022 0.000 0.859 313 L CB -0.014 42.047 42.059 0.004 0.000 1.269 313 L HN -0.012 nan 8.230 nan 0.000 0.484 314 S N -0.917 114.834 115.700 0.085 0.000 2.503 314 S HA 0.272 4.742 4.470 0.001 0.000 0.217 314 S C 0.555 175.179 174.600 0.041 0.000 0.999 314 S CA 0.550 58.793 58.200 0.072 0.000 0.914 314 S CB 0.226 63.479 63.200 0.088 0.000 0.782 314 S HN 0.399 nan 8.310 nan 0.000 0.520 315 G N 1.119 109.940 108.800 0.035 0.000 2.684 315 G HA2 0.538 4.499 3.960 0.001 0.000 0.289 315 G HA3 0.538 4.499 3.960 0.001 0.000 0.289 315 G C -1.545 173.369 174.900 0.024 0.000 1.416 315 G CA -0.700 44.414 45.100 0.023 0.000 1.235 315 G HN 0.211 nan 8.290 nan 0.000 0.576 316 K N 1.198 121.612 120.400 0.023 0.000 2.352 316 K HA 0.589 4.910 4.320 0.001 0.000 0.240 316 K C -0.003 176.619 176.600 0.037 0.000 1.017 316 K CA -1.075 55.227 56.287 0.025 0.000 0.851 316 K CB 2.359 34.872 32.500 0.022 0.000 1.261 316 K HN 0.400 nan 8.250 nan 0.000 0.451 317 R N 1.000 121.522 120.500 0.035 0.000 2.491 317 R HA 0.208 4.549 4.340 0.001 0.000 0.283 317 R C -0.104 176.231 176.300 0.057 0.000 1.072 317 R CA -0.465 55.663 56.100 0.046 0.000 1.048 317 R CB 0.232 30.550 30.300 0.029 0.000 0.983 317 R HN 0.406 nan 8.270 nan 0.000 0.450 318 V N -1.117 118.849 119.914 0.088 0.000 2.914 318 V HA 0.385 4.505 4.120 0.001 0.000 0.314 318 V C -0.138 176.022 176.094 0.110 0.000 1.084 318 V CA -1.272 61.094 62.300 0.111 0.000 0.963 318 V CB 2.045 33.962 31.823 0.158 0.000 1.025 318 V HN 0.551 nan 8.190 nan 0.000 0.432 319 D N 0.914 121.379 120.400 0.108 0.000 2.314 319 D HA 0.415 5.056 4.640 0.001 0.000 0.252 319 D C 0.033 176.435 176.300 0.169 0.000 1.295 319 D CA 0.253 54.285 54.000 0.054 0.000 0.995 319 D CB -0.110 40.705 40.800 0.025 0.000 1.125 319 D HN 0.628 nan 8.370 nan 0.000 0.537 320 F N -0.555 119.436 119.950 0.068 0.000 2.642 320 F HA -0.243 4.285 4.527 0.001 0.000 0.200 320 F C 0.197 176.038 175.800 0.069 0.000 1.041 320 F CA 0.216 58.260 58.000 0.072 0.000 0.851 320 F CB -1.598 37.448 39.000 0.078 0.000 0.727 320 F HN 0.095 nan 8.300 nan 0.000 0.848 321 S N -1.495 114.278 115.700 0.121 0.000 2.595 321 S HA 0.885 5.355 4.470 0.001 0.000 0.281 321 S C -0.459 174.137 174.600 -0.006 0.000 1.117 321 S CA -0.354 57.844 58.200 -0.004 0.000 0.873 321 S CB 2.615 65.777 63.200 -0.064 0.000 1.108 321 S HN 0.481 nan 8.310 nan 0.000 0.477 322 S N 0.230 115.915 115.700 -0.025 0.000 2.550 322 S HA 0.750 5.220 4.470 0.001 0.000 0.270 322 S C -1.631 173.057 174.600 0.148 0.000 1.145 322 S CA -0.809 57.449 58.200 0.096 0.000 0.852 322 S CB 1.794 65.137 63.200 0.237 0.000 1.119 322 S HN 1.000 nan 8.310 nan 0.000 0.465 323 R N 2.287 122.848 120.500 0.101 0.000 2.531 323 R HA 0.606 4.947 4.340 0.001 0.000 0.293 323 R C -1.507 174.725 176.300 -0.114 0.000 1.124 323 R CA -0.176 55.950 56.100 0.044 0.000 0.945 323 R CB 1.416 31.710 30.300 -0.009 0.000 1.195 323 R HN 0.748 nan 8.270 nan 0.000 0.433 324 T N 1.708 116.085 114.554 -0.296 0.000 2.812 324 T HA 0.317 4.667 4.350 0.001 0.000 0.294 324 T C -0.604 173.905 174.700 -0.318 0.000 1.159 324 T CA -0.640 61.203 62.100 -0.429 0.000 1.008 324 T CB 1.656 70.073 68.868 -0.751 0.000 1.289 324 T HN 0.225 nan 8.240 nan 0.000 0.514 325 V N 2.249 122.030 119.914 -0.222 0.000 2.843 325 V HA 0.258 4.378 4.120 0.001 0.000 0.305 325 V C 0.453 176.523 176.094 -0.040 0.000 1.065 325 V CA -0.348 61.894 62.300 -0.097 0.000 1.116 325 V CB -0.258 31.530 31.823 -0.058 0.000 0.968 325 V HN 0.740 nan 8.190 nan 0.000 0.487 326 I N 1.907 122.538 120.570 0.101 0.000 2.353 326 I HA 0.766 4.936 4.170 0.001 0.000 0.293 326 I C 0.266 176.614 176.117 0.385 0.000 0.992 326 I CA -0.087 61.379 61.300 0.276 0.000 1.268 326 I CB 1.615 39.815 38.000 0.334 0.000 1.387 326 I HN 0.662 nan 8.210 nan 0.000 0.478 327 S N 5.325 121.173 115.700 0.248 0.000 2.607 327 S HA 0.759 5.230 4.470 0.001 0.000 0.303 327 S C -2.684 171.688 174.600 -0.380 0.000 1.086 327 S CA -1.501 56.677 58.200 -0.036 0.000 0.995 327 S CB 1.808 64.959 63.200 -0.080 0.000 1.084 327 S HN 0.597 nan 8.310 nan 0.000 0.507 328 P HA 0.512 nan 4.420 nan 0.000 0.277 328 P C -1.229 175.898 177.300 -0.289 0.000 1.271 328 P CA -0.092 62.478 63.100 -0.883 0.000 0.795 328 P CB 0.301 31.367 31.700 -1.056 0.000 1.101 329 D N -0.548 119.779 120.400 -0.122 0.000 2.484 329 D HA 0.120 4.761 4.640 0.001 0.000 0.206 329 D C -2.104 174.216 176.300 0.033 0.000 1.322 329 D CA -1.100 52.876 54.000 -0.039 0.000 0.913 329 D CB 1.608 42.396 40.800 -0.019 0.000 1.559 329 D HN 0.076 nan 8.370 nan 0.000 0.565 330 P HA -0.044 nan 4.420 nan 0.000 0.222 330 P C 0.197 177.553 177.300 0.093 0.000 1.153 330 P CA 0.461 63.636 63.100 0.125 0.000 0.798 330 P CB 0.709 32.456 31.700 0.078 0.000 0.796 331 N N 1.485 120.211 118.700 0.043 0.000 2.447 331 N HA 0.348 5.088 4.740 0.001 0.000 0.271 331 N C 0.716 176.239 175.510 0.022 0.000 1.226 331 N CA -0.657 52.409 53.050 0.027 0.000 0.980 331 N CB 0.460 38.954 38.487 0.012 0.000 1.206 331 N HN 0.098 nan 8.380 nan 0.000 0.558 332 I N -3.086 117.492 120.570 0.014 0.000 8.706 332 I HA -0.253 3.917 4.170 0.001 0.000 0.126 332 I C -0.263 175.864 176.117 0.016 0.000 1.859 332 I CA -0.070 61.237 61.300 0.012 0.000 2.041 332 I CB -0.888 37.116 38.000 0.007 0.000 3.877 332 I HN 0.474 nan 8.210 nan 0.000 0.170 333 S N 5.065 120.769 115.700 0.007 0.000 2.566 333 S HA 0.349 4.819 4.470 0.001 0.000 0.280 333 S C 1.451 176.054 174.600 0.004 0.000 1.343 333 S CA 0.107 58.302 58.200 -0.009 0.000 1.036 333 S CB 0.565 63.752 63.200 -0.023 0.000 0.866 333 S HN 0.589 nan 8.310 nan 0.000 0.526 334 I N 2.169 122.725 120.570 -0.024 0.000 2.151 334 I HA -0.220 3.950 4.170 0.001 0.000 0.243 334 I C 1.839 177.930 176.117 -0.044 0.000 1.080 334 I CA 1.551 62.839 61.300 -0.020 0.000 1.339 334 I CB -0.442 37.519 38.000 -0.064 0.000 1.039 334 I HN 0.633 nan 8.210 nan 0.000 0.409 335 D N 0.720 121.077 120.400 -0.072 0.000 2.263 335 D HA -0.084 4.557 4.640 0.001 0.000 0.208 335 D C 0.807 177.065 176.300 -0.069 0.000 0.971 335 D CA 0.808 54.734 54.000 -0.123 0.000 0.867 335 D CB -0.028 40.722 40.800 -0.082 0.000 0.929 335 D HN 0.390 nan 8.370 nan 0.000 0.492 336 E N -0.260 119.969 120.200 0.048 0.000 2.319 336 E HA 0.315 4.665 4.350 0.001 0.000 0.268 336 E C -0.908 175.810 176.600 0.197 0.000 1.050 336 E CA -0.423 56.033 56.400 0.093 0.000 0.878 336 E CB 2.514 32.233 29.700 0.031 0.000 1.066 336 E HN -0.204 nan 8.360 nan 0.000 0.406 337 V N 1.916 121.813 119.914 -0.028 0.000 2.487 337 V HA 0.505 4.625 4.120 0.001 0.000 0.298 337 V C -0.197 175.739 176.094 -0.264 0.000 1.028 337 V CA -0.393 61.685 62.300 -0.370 0.000 0.860 337 V CB 1.643 32.907 31.823 -0.931 0.000 0.991 337 V HN 0.731 nan 8.190 nan 0.000 0.427 338 G N 5.594 114.273 108.800 -0.203 0.000 2.358 338 G HA2 0.496 4.456 3.960 0.001 0.000 0.273 338 G HA3 0.496 4.456 3.960 0.001 0.000 0.273 338 G C -0.770 174.100 174.900 -0.050 0.000 1.215 338 G CA -0.124 44.919 45.100 -0.096 0.000 0.910 338 G HN 0.759 nan 8.290 nan 0.000 0.467 339 V N 5.684 125.569 119.914 -0.048 0.000 2.495 339 V HA 0.338 4.458 4.120 0.001 0.000 0.298 339 V C -2.028 174.060 176.094 -0.010 0.000 1.031 339 V CA -1.687 60.634 62.300 0.035 0.000 0.871 339 V CB 2.401 34.200 31.823 -0.040 0.000 0.988 339 V HN 0.576 nan 8.190 nan 0.000 0.432 340 P HA 0.149 nan 4.420 nan 0.000 0.272 340 P C 0.754 177.969 177.300 -0.142 0.000 1.223 340 P CA -0.023 63.035 63.100 -0.070 0.000 0.784 340 P CB 1.018 32.683 31.700 -0.058 0.000 0.923 341 E N 1.798 121.861 120.200 -0.229 0.000 2.051 341 E HA -0.166 4.184 4.350 0.001 0.000 0.192 341 E C 1.651 178.139 176.600 -0.186 0.000 0.991 341 E CA 1.115 57.324 56.400 -0.318 0.000 0.799 341 E CB -0.235 29.273 29.700 -0.320 0.000 0.748 341 E HN 0.298 nan 8.360 nan 0.000 0.449 342 I N 1.584 122.080 120.570 -0.122 0.000 2.248 342 I HA -0.303 3.867 4.170 0.001 0.000 0.248 342 I C 2.315 178.404 176.117 -0.046 0.000 1.107 342 I CA 1.138 62.391 61.300 -0.077 0.000 1.373 342 I CB -1.125 36.837 38.000 -0.062 0.000 1.055 342 I HN 0.272 nan 8.210 nan 0.000 0.418 343 I N 1.401 121.960 120.570 -0.019 0.000 2.252 343 I HA -0.161 4.010 4.170 0.001 0.000 0.245 343 I C 2.760 178.901 176.117 0.040 0.000 1.102 343 I CA 1.462 62.790 61.300 0.046 0.000 1.385 343 I CB -1.452 36.634 38.000 0.144 0.000 1.064 343 I HN 0.132 nan 8.210 nan 0.000 0.414 344 A N 0.800 123.616 122.820 -0.007 0.000 2.172 344 A HA -0.108 4.213 4.320 0.001 0.000 0.216 344 A C 2.379 179.942 177.584 -0.034 0.000 1.154 344 A CA 0.882 52.940 52.037 0.035 0.000 0.701 344 A CB -0.449 18.553 19.000 0.004 0.000 0.789 344 A HN 0.374 nan 8.150 nan 0.000 0.465 345 R N -1.167 119.226 120.500 -0.178 0.000 2.189 345 R HA 0.015 4.355 4.340 0.001 0.000 0.203 345 R C 1.862 178.160 176.300 -0.002 0.000 1.012 345 R CA 1.389 57.200 56.100 -0.482 0.000 1.015 345 R CB -0.199 29.893 30.300 -0.346 0.000 0.938 345 R HN 0.560 nan 8.270 nan 0.000 0.472 346 T N 1.363 115.951 114.554 0.057 0.000 2.781 346 T HA 0.095 4.445 4.350 0.001 0.000 0.252 346 T C 1.047 175.861 174.700 0.189 0.000 1.039 346 T CA 0.355 62.524 62.100 0.115 0.000 1.147 346 T CB -0.162 68.746 68.868 0.065 0.000 0.865 346 T HN -0.009 nan 8.240 nan 0.000 0.423 347 L N 3.262 124.600 121.223 0.191 0.000 2.462 347 L HA 0.332 4.672 4.340 0.001 0.000 0.272 347 L C 0.507 177.568 176.870 0.318 0.000 1.166 347 L CA -0.256 54.753 54.840 0.281 0.000 0.880 347 L CB 0.117 42.314 42.059 0.231 0.000 1.142 347 L HN 0.427 nan 8.230 nan 0.000 0.473 348 T N 0.200 114.997 114.554 0.404 0.000 2.903 348 T HA 0.701 5.052 4.350 0.001 0.000 0.299 348 T C -0.481 174.278 174.700 0.100 0.000 1.093 348 T CA -0.874 61.389 62.100 0.273 0.000 1.002 348 T CB 1.923 70.962 68.868 0.284 0.000 1.127 348 T HN 0.259 nan 8.240 nan 0.000 0.488 349 V N -0.464 119.470 119.914 0.032 0.000 2.547 349 V HA 0.771 4.891 4.120 0.001 0.000 0.299 349 V C -2.768 173.308 176.094 -0.030 0.000 1.040 349 V CA -2.865 59.399 62.300 -0.060 0.000 0.913 349 V CB 1.270 33.080 31.823 -0.021 0.000 0.992 349 V HN 0.842 nan 8.190 nan 0.000 0.449 350 P HA 0.384 nan 4.420 nan 0.000 0.273 350 P C -0.611 176.691 177.300 0.005 0.000 1.531 350 P CA -0.009 63.079 63.100 -0.020 0.000 1.027 350 P CB 0.583 32.254 31.700 -0.050 0.000 1.387 351 E N 3.804 124.024 120.200 0.033 0.000 2.146 351 E HA 0.207 4.557 4.350 0.001 0.000 0.282 351 E C -0.194 176.434 176.600 0.046 0.000 0.989 351 E CA -0.747 55.680 56.400 0.046 0.000 0.799 351 E CB 0.764 30.505 29.700 0.068 0.000 1.088 351 E HN 0.264 nan 8.360 nan 0.000 0.397 352 R N 3.245 123.767 120.500 0.036 0.000 2.582 352 R HA 0.231 4.572 4.340 0.001 0.000 0.271 352 R C -0.093 176.216 176.300 0.015 0.000 1.078 352 R CA -0.692 55.425 56.100 0.030 0.000 1.127 352 R CB 0.567 30.876 30.300 0.015 0.000 1.038 352 R HN 0.475 nan 8.270 nan 0.000 0.500 353 I N 1.895 122.472 120.570 0.010 0.000 2.517 353 I HA -0.038 4.132 4.170 0.001 0.000 0.285 353 I C 0.695 176.737 176.117 -0.125 0.000 1.106 353 I CA 0.915 62.192 61.300 -0.039 0.000 1.402 353 I CB 0.712 38.702 38.000 -0.016 0.000 1.399 353 I HN 0.606 nan 8.210 nan 0.000 0.535 354 T N 3.965 118.389 114.554 -0.217 0.000 2.829 354 T HA 0.424 4.774 4.350 0.001 0.000 0.280 354 T C -1.950 172.284 174.700 -0.776 0.000 0.999 354 T CA -2.208 59.585 62.100 -0.511 0.000 0.983 354 T CB 1.717 70.311 68.868 -0.457 0.000 0.968 354 T HN 0.246 nan 8.240 nan 0.000 0.446 355 P HA -0.086 nan 4.420 nan 0.000 0.228 355 P C -0.013 177.051 177.300 -0.394 0.000 1.143 355 P CA 1.145 63.861 63.100 -0.640 0.000 0.771 355 P CB -0.266 31.046 31.700 -0.647 0.000 0.764 356 W N -1.976 119.315 121.300 -0.016 0.000 3.231 356 W HA 0.219 4.879 4.660 0.001 0.000 0.234 356 W C 1.266 177.766 176.519 -0.032 0.000 1.099 356 W CA 0.315 57.647 57.345 -0.022 0.000 1.467 356 W CB -1.802 27.649 29.460 -0.015 0.000 0.800 356 W HN -0.127 nan 8.180 nan 0.000 0.739 357 N N 2.186 121.031 118.700 0.241 0.000 2.515 357 N HA -0.117 4.624 4.740 0.001 0.000 0.185 357 N C 1.195 176.705 175.510 -0.001 0.000 1.109 357 N CA 1.120 54.258 53.050 0.147 0.000 0.903 357 N CB -0.603 37.988 38.487 0.173 0.000 0.969 357 N HN 0.191 nan 8.380 nan 0.000 0.450 358 I N 1.098 121.639 120.570 -0.049 0.000 2.113 358 I HA -0.270 3.901 4.170 0.001 0.000 0.242 358 I C 2.079 178.133 176.117 -0.105 0.000 1.064 358 I CA 1.635 62.882 61.300 -0.088 0.000 1.320 358 I CB -0.541 37.398 38.000 -0.102 0.000 1.028 358 I HN 0.125 nan 8.210 nan 0.000 0.406 359 E N 0.418 120.562 120.200 -0.093 0.000 2.106 359 E HA -0.243 4.108 4.350 0.001 0.000 0.192 359 E C 2.242 178.722 176.600 -0.199 0.000 0.984 359 E CA 1.196 57.524 56.400 -0.120 0.000 0.806 359 E CB -0.307 29.343 29.700 -0.084 0.000 0.750 359 E HN 0.452 nan 8.360 nan 0.000 0.458 360 K N -0.205 120.064 120.400 -0.219 0.000 2.057 360 K HA -0.151 4.169 4.320 0.001 0.000 0.207 360 K C 1.589 177.804 176.600 -0.642 0.000 1.049 360 K CA 1.031 57.074 56.287 -0.406 0.000 0.931 360 K CB -0.054 32.294 32.500 -0.252 0.000 0.714 360 K HN 0.138 nan 8.250 nan 0.000 0.440 361 L N 0.989 122.013 121.223 -0.332 0.000 2.418 361 L HA 0.046 4.386 4.340 0.001 0.000 0.218 361 L C 2.147 178.909 176.870 -0.180 0.000 1.125 361 L CA 1.109 55.821 54.840 -0.213 0.000 0.835 361 L CB -0.217 41.809 42.059 -0.056 0.000 0.953 361 L HN 0.082 nan 8.230 nan 0.000 0.454 362 R N -1.316 119.066 120.500 -0.197 0.000 2.148 362 R HA -0.144 4.196 4.340 0.001 0.000 0.223 362 R C 2.026 178.232 176.300 -0.158 0.000 1.088 362 R CA 0.711 56.719 56.100 -0.153 0.000 0.985 362 R CB -0.050 30.167 30.300 -0.137 0.000 0.880 362 R HN 0.232 nan 8.270 nan 0.000 0.451 363 Q N 0.150 119.795 119.800 -0.260 0.000 2.187 363 Q HA -0.017 4.323 4.340 0.001 0.000 0.199 363 Q C 1.364 177.303 176.000 -0.101 0.000 0.957 363 Q CA 1.554 57.219 55.803 -0.230 0.000 0.857 363 Q CB -0.019 28.520 28.738 -0.333 0.000 0.929 363 Q HN 0.353 nan 8.270 nan 0.000 0.453 364 F N -1.586 118.307 119.950 -0.096 0.000 2.187 364 F HA -0.063 4.465 4.527 0.001 0.000 0.295 364 F C 2.209 177.937 175.800 -0.120 0.000 1.091 364 F CA 0.438 58.366 58.000 -0.121 0.000 1.308 364 F CB -0.167 38.748 39.000 -0.143 0.000 1.030 364 F HN -0.033 nan 8.300 nan 0.000 0.487 365 V N 0.662 120.614 119.914 0.063 0.000 2.626 365 V HA -0.226 3.894 4.120 0.001 0.000 0.252 365 V C 1.992 178.069 176.094 -0.027 0.000 1.067 365 V CA 1.337 63.630 62.300 -0.011 0.000 1.081 365 V CB -0.298 31.504 31.823 -0.036 0.000 0.686 365 V HN 0.300 nan 8.190 nan 0.000 0.468 366 I N 0.248 120.804 120.570 -0.024 0.000 2.617 366 I HA -0.079 4.092 4.170 0.001 0.000 0.256 366 I C 2.034 178.148 176.117 -0.005 0.000 1.167 366 I CA 1.106 62.391 61.300 -0.025 0.000 1.469 366 I CB -0.691 37.287 38.000 -0.037 0.000 1.098 366 I HN 0.392 nan 8.210 nan 0.000 0.436 367 N N 1.336 120.048 118.700 0.019 0.000 2.216 367 N HA -0.021 4.719 4.740 0.001 0.000 0.183 367 N C 1.033 176.558 175.510 0.025 0.000 1.017 367 N CA 1.124 54.195 53.050 0.036 0.000 0.861 367 N CB -0.205 38.327 38.487 0.075 0.000 0.986 367 N HN 0.466 nan 8.380 nan 0.000 0.428 368 G N 0.125 108.925 108.800 0.000 0.000 2.730 368 G HA2 -0.139 3.821 3.960 0.001 0.000 0.686 368 G HA3 -0.139 3.821 3.960 0.001 0.000 0.686 368 G C -2.402 172.510 174.900 0.021 0.000 1.343 368 G CA -0.355 44.733 45.100 -0.019 0.000 0.826 368 G HN 0.071 nan 8.290 nan 0.000 0.582 369 P HA 0.198 nan 4.420 nan 0.000 0.269 369 P C -0.046 177.355 177.300 0.168 0.000 1.461 369 P CA 0.780 63.963 63.100 0.137 0.000 0.809 369 P CB 0.276 31.988 31.700 0.020 0.000 1.503 370 D N -1.596 118.882 120.400 0.130 0.000 2.318 370 D HA 0.045 4.685 4.640 0.001 0.000 0.294 370 D C 0.498 176.857 176.300 0.097 0.000 1.091 370 D CA 0.435 54.487 54.000 0.087 0.000 0.883 370 D CB 0.479 41.308 40.800 0.049 0.000 1.545 370 D HN -0.007 nan 8.370 nan 0.000 0.513 371 K N 1.040 121.508 120.400 0.113 0.000 2.201 371 K HA 0.060 4.380 4.320 0.001 0.000 0.278 371 K C 0.705 177.414 176.600 0.182 0.000 1.027 371 K CA -0.608 55.755 56.287 0.127 0.000 0.909 371 K CB 1.355 33.912 32.500 0.095 0.000 1.062 371 K HN -0.084 nan 8.250 nan 0.000 0.465 372 W N 7.273 128.581 121.300 0.014 0.000 2.292 372 W HA -0.179 4.481 4.660 0.001 0.000 0.330 372 W C -1.340 175.203 176.519 0.040 0.000 1.264 372 W CA 1.343 58.672 57.345 -0.027 0.000 1.235 372 W CB -1.557 27.867 29.460 -0.060 0.000 1.164 372 W HN 0.476 nan 8.180 nan 0.000 0.461 373 P HA 0.246 nan 4.420 nan 0.000 0.262 373 P C -0.043 177.023 177.300 -0.390 0.000 1.455 373 P CA 1.140 63.710 63.100 -0.884 0.000 1.217 373 P CB -0.082 31.323 31.700 -0.493 0.000 1.625 374 G N 1.052 109.654 108.800 -0.330 0.000 2.782 374 G HA2 0.782 4.743 3.960 0.001 0.000 0.304 374 G HA3 0.782 4.743 3.960 0.001 0.000 0.304 374 G C -1.896 172.640 174.900 -0.608 0.000 1.315 374 G CA -0.398 44.596 45.100 -0.177 0.000 0.791 374 G HN 0.410 nan 8.290 nan 0.000 0.519 375 A N -1.272 121.199 122.820 -0.581 0.000 2.594 375 A HA 0.742 5.062 4.320 0.001 0.000 0.291 375 A C -0.043 177.289 177.584 -0.420 0.000 1.105 375 A CA -0.535 51.171 52.037 -0.552 0.000 0.694 375 A CB 1.553 20.445 19.000 -0.181 0.000 1.291 375 A HN 0.406 nan 8.150 nan 0.000 0.410 376 N N -0.944 117.595 118.700 -0.268 0.000 2.511 376 N HA 0.222 4.962 4.740 0.001 0.000 0.190 376 N C -0.100 175.156 175.510 -0.423 0.000 1.037 376 N CA 1.280 54.169 53.050 -0.269 0.000 0.895 376 N CB -0.219 38.208 38.487 -0.100 0.000 1.149 376 N HN 0.680 nan 8.380 nan 0.000 0.437 377 Y N -0.801 119.479 120.300 -0.034 0.000 2.968 377 Y HA 0.634 5.184 4.550 0.001 0.000 0.316 377 Y C -0.330 175.573 175.900 0.005 0.000 1.359 377 Y CA -1.001 57.093 58.100 -0.010 0.000 1.107 377 Y CB 1.226 39.702 38.460 0.027 0.000 1.374 377 Y HN -0.280 nan 8.280 nan 0.000 0.621 378 V N 1.929 122.001 119.914 0.262 0.000 2.874 378 V HA 0.303 4.424 4.120 0.001 0.000 0.269 378 V C -1.743 174.464 176.094 0.188 0.000 1.359 378 V CA -0.577 61.833 62.300 0.183 0.000 0.927 378 V CB 0.253 32.156 31.823 0.134 0.000 1.101 378 V HN 0.585 nan 8.190 nan 0.000 0.469 379 I N 6.983 127.638 120.570 0.142 0.000 2.471 379 I HA 0.424 4.594 4.170 0.001 0.000 0.286 379 I C 0.988 177.145 176.117 0.066 0.000 1.079 379 I CA -0.213 61.136 61.300 0.083 0.000 1.398 379 I CB 0.741 38.760 38.000 0.031 0.000 1.403 379 I HN 0.556 nan 8.210 nan 0.000 0.530 380 R N 7.775 128.270 120.500 -0.007 0.000 2.615 380 R HA 0.204 4.545 4.340 0.001 0.000 0.270 380 R C -1.448 174.642 176.300 -0.350 0.000 1.081 380 R CA -1.405 54.515 56.100 -0.299 0.000 1.154 380 R CB 0.072 30.263 30.300 -0.183 0.000 1.063 380 R HN 0.417 nan 8.270 nan 0.000 0.519 381 P HA -0.133 nan 4.420 nan 0.000 0.231 381 P C -0.340 176.845 177.300 -0.191 0.000 1.158 381 P CA 1.056 63.969 63.100 -0.311 0.000 0.763 381 P CB 0.207 31.706 31.700 -0.335 0.000 0.805 382 D N -0.272 120.019 120.400 -0.182 0.000 2.183 382 D HA -0.007 4.633 4.640 0.001 0.000 0.203 382 D C 1.950 178.209 176.300 -0.068 0.000 0.969 382 D CA 1.725 55.665 54.000 -0.099 0.000 0.842 382 D CB -0.650 40.107 40.800 -0.072 0.000 0.957 382 D HN 0.283 nan 8.370 nan 0.000 0.484 383 G N 0.146 108.903 108.800 -0.071 0.000 2.259 383 G HA2 -0.297 3.663 3.960 0.001 0.000 0.217 383 G HA3 -0.297 3.663 3.960 0.001 0.000 0.217 383 G C 0.529 175.415 174.900 -0.023 0.000 1.001 383 G CA 0.004 45.079 45.100 -0.041 0.000 0.627 383 G HN 0.400 nan 8.290 nan 0.000 0.501 384 R N 1.049 121.538 120.500 -0.017 0.000 2.756 384 R HA 0.427 4.767 4.340 0.001 0.000 0.264 384 R C 0.572 176.892 176.300 0.034 0.000 1.026 384 R CA 0.219 56.326 56.100 0.012 0.000 1.121 384 R CB 0.227 30.539 30.300 0.019 0.000 0.999 384 R HN 0.416 nan 8.270 nan 0.000 0.449 385 R N 3.968 124.502 120.500 0.057 0.000 2.514 385 R HA 0.349 4.689 4.340 0.001 0.000 0.301 385 R C -0.961 175.432 176.300 0.154 0.000 0.962 385 R CA -0.631 55.523 56.100 0.091 0.000 0.882 385 R CB 0.977 31.302 30.300 0.043 0.000 1.143 385 R HN 0.470 nan 8.270 nan 0.000 0.452 386 I N 4.047 124.739 120.570 0.204 0.000 2.437 386 I HA 0.143 4.313 4.170 0.001 0.000 0.279 386 I C -0.616 175.609 176.117 0.179 0.000 1.028 386 I CA -0.712 60.696 61.300 0.179 0.000 1.142 386 I CB 1.295 39.374 38.000 0.132 0.000 1.266 386 I HN 0.634 nan 8.210 nan 0.000 0.461 387 D N 6.287 126.768 120.400 0.136 0.000 2.358 387 D HA 0.146 4.787 4.640 0.001 0.000 0.258 387 D C 1.043 177.103 176.300 -0.400 0.000 1.223 387 D CA 0.012 53.876 54.000 -0.227 0.000 0.886 387 D CB 1.364 42.036 40.800 -0.212 0.000 1.120 387 D HN 0.426 nan 8.370 nan 0.000 0.482 388 L N 3.566 124.528 121.223 -0.437 0.000 2.395 388 L HA 0.003 4.344 4.340 0.001 0.000 0.218 388 L C 2.176 178.831 176.870 -0.359 0.000 1.130 388 L CA 0.089 54.746 54.840 -0.306 0.000 0.826 388 L CB -0.200 41.723 42.059 -0.226 0.000 0.941 388 L HN 0.248 nan 8.230 nan 0.000 0.451 389 R N 1.432 121.581 120.500 -0.586 0.000 2.241 389 R HA -0.166 4.174 4.340 0.001 0.000 0.224 389 R C -0.636 175.455 176.300 -0.348 0.000 1.101 389 R CA 1.063 56.871 56.100 -0.488 0.000 0.995 389 R CB -0.313 29.668 30.300 -0.531 0.000 0.870 389 R HN 0.484 nan 8.270 nan 0.000 0.463 390 Y N -2.010 118.270 120.300 -0.034 0.000 2.441 390 Y HA 0.429 4.979 4.550 0.001 0.000 0.345 390 Y C -1.454 174.441 175.900 -0.008 0.000 1.129 390 Y CA -2.159 55.932 58.100 -0.014 0.000 1.333 390 Y CB 0.180 38.637 38.460 -0.005 0.000 1.104 390 Y HN -0.151 nan 8.280 nan 0.000 0.551 391 V N -0.729 119.233 119.914 0.081 0.000 2.567 391 V HA 0.517 4.637 4.120 0.001 0.000 0.298 391 V C -0.348 175.771 176.094 0.043 0.000 1.047 391 V CA -1.707 60.631 62.300 0.064 0.000 0.880 391 V CB 1.733 33.566 31.823 0.017 0.000 1.009 391 V HN 0.536 nan 8.190 nan 0.000 0.429 392 K N 3.146 123.574 120.400 0.048 0.000 2.437 392 K HA 0.129 4.449 4.320 0.001 0.000 0.277 392 K C 0.033 176.644 176.600 0.018 0.000 1.073 392 K CA 0.934 57.240 56.287 0.031 0.000 1.105 392 K CB -0.130 32.387 32.500 0.029 0.000 0.881 392 K HN 1.051 nan 8.250 nan 0.000 0.475 393 D N 1.828 122.235 120.400 0.010 0.000 4.733 393 D HA -0.171 4.470 4.640 0.001 0.000 0.239 393 D C 0.268 176.564 176.300 -0.006 0.000 1.075 393 D CA 0.518 54.519 54.000 0.001 0.000 1.258 393 D CB 0.057 40.857 40.800 0.000 0.000 0.761 393 D HN 0.636 nan 8.370 nan 0.000 0.378 394 R N 2.771 123.263 120.500 -0.012 0.000 2.236 394 R HA 0.010 4.350 4.340 0.001 0.000 0.208 394 R C 1.952 178.234 176.300 -0.030 0.000 1.036 394 R CA 0.979 57.066 56.100 -0.023 0.000 1.001 394 R CB 0.126 30.409 30.300 -0.028 0.000 0.896 394 R HN 0.380 nan 8.270 nan 0.000 0.464 395 K N 0.406 120.791 120.400 -0.025 0.000 2.365 395 K HA -0.118 4.202 4.320 0.001 0.000 0.199 395 K C 1.151 177.730 176.600 -0.035 0.000 1.045 395 K CA 0.873 57.142 56.287 -0.031 0.000 0.962 395 K CB 0.222 32.708 32.500 -0.024 0.000 0.759 395 K HN 0.234 nan 8.250 nan 0.000 0.469 396 E N 0.662 120.844 120.200 -0.029 0.000 2.000 396 E HA -0.224 4.126 4.350 0.001 0.000 0.199 396 E C 1.906 178.477 176.600 -0.048 0.000 1.011 396 E CA 1.414 57.796 56.400 -0.029 0.000 0.836 396 E CB -0.151 29.540 29.700 -0.016 0.000 0.778 396 E HN 0.223 nan 8.360 nan 0.000 0.462 397 L N 0.683 121.874 121.223 -0.053 0.000 2.137 397 L HA -0.273 4.067 4.340 0.001 0.000 0.213 397 L C 2.475 179.268 176.870 -0.128 0.000 1.085 397 L CA 0.973 55.760 54.840 -0.088 0.000 0.760 397 L CB -0.439 41.574 42.059 -0.076 0.000 0.893 397 L HN 0.220 nan 8.230 nan 0.000 0.434 398 A N -0.234 122.527 122.820 -0.099 0.000 1.958 398 A HA -0.263 4.057 4.320 0.001 0.000 0.221 398 A C 2.339 179.854 177.584 -0.116 0.000 1.178 398 A CA 2.298 54.272 52.037 -0.106 0.000 0.642 398 A CB -0.630 18.323 19.000 -0.079 0.000 0.816 398 A HN 0.557 nan 8.150 nan 0.000 0.453 399 S N -2.009 113.632 115.700 -0.098 0.000 2.556 399 S HA 0.074 4.545 4.470 0.001 0.000 0.216 399 S C 1.194 175.731 174.600 -0.106 0.000 0.970 399 S CA 0.766 58.912 58.200 -0.090 0.000 0.912 399 S CB -0.179 62.985 63.200 -0.060 0.000 0.790 399 S HN 0.499 nan 8.310 nan 0.000 0.504 400 T N 2.172 116.634 114.554 -0.154 0.000 3.031 400 T HA 0.313 4.663 4.350 0.001 0.000 0.254 400 T C 0.568 175.053 174.700 -0.360 0.000 1.060 400 T CA -0.099 61.890 62.100 -0.186 0.000 1.135 400 T CB -0.346 68.422 68.868 -0.166 0.000 0.896 400 T HN 0.324 nan 8.240 nan 0.000 0.472 401 L N 2.264 123.201 121.223 -0.476 0.000 2.534 401 L HA 0.457 4.797 4.340 0.001 0.000 0.271 401 L C 0.359 177.070 176.870 -0.265 0.000 1.178 401 L CA -0.482 53.987 54.840 -0.619 0.000 0.907 401 L CB -0.209 41.611 42.059 -0.400 0.000 1.164 401 L HN 0.218 nan 8.230 nan 0.000 0.482 402 A N 5.321 128.091 122.820 -0.083 0.000 2.564 402 A HA 0.847 5.168 4.320 0.001 0.000 0.288 402 A C -2.730 174.935 177.584 0.135 0.000 1.164 402 A CA -1.682 50.378 52.037 0.038 0.000 0.712 402 A CB 1.284 20.318 19.000 0.056 0.000 1.303 402 A HN 0.418 nan 8.150 nan 0.000 0.418 403 P HA 0.294 nan 4.420 nan 0.000 0.264 403 P C 1.040 178.363 177.300 0.038 0.000 1.179 403 P CA 2.317 65.420 63.100 0.004 0.000 0.763 403 P CB 0.567 32.228 31.700 -0.065 0.000 0.806 404 G N 1.033 109.836 108.800 0.005 0.000 2.424 404 G HA2 -0.225 3.735 3.960 0.001 0.000 0.207 404 G HA3 -0.225 3.735 3.960 0.001 0.000 0.207 404 G C -0.250 174.596 174.900 -0.090 0.000 1.061 404 G CA -0.547 44.516 45.100 -0.062 0.000 0.657 404 G HN 0.444 nan 8.290 nan 0.000 0.508 405 Y N 0.793 121.076 120.300 -0.029 0.000 2.480 405 Y HA 0.457 5.008 4.550 0.001 0.000 0.338 405 Y C 0.703 176.594 175.900 -0.015 0.000 1.220 405 Y CA 0.298 58.387 58.100 -0.018 0.000 1.430 405 Y CB 1.432 39.880 38.460 -0.020 0.000 1.311 405 Y HN 0.143 nan 8.280 nan 0.000 0.575 406 V N 3.970 123.981 119.914 0.161 0.000 2.419 406 V HA 0.222 4.343 4.120 0.001 0.000 0.287 406 V C -0.726 175.436 176.094 0.112 0.000 1.017 406 V CA -0.966 61.392 62.300 0.096 0.000 0.844 406 V CB 1.258 33.111 31.823 0.049 0.000 1.011 406 V HN 0.465 nan 8.190 nan 0.000 0.429 407 V N 4.497 124.468 119.914 0.094 0.000 2.432 407 V HA 0.238 4.359 4.120 0.001 0.000 0.271 407 V C 0.645 176.789 176.094 0.083 0.000 1.046 407 V CA -0.378 61.974 62.300 0.087 0.000 0.945 407 V CB 1.245 33.107 31.823 0.064 0.000 0.992 407 V HN 0.836 nan 8.190 nan 0.000 0.471 408 E N 5.782 126.048 120.200 0.109 0.000 1.893 408 E HA 0.207 4.557 4.350 0.001 0.000 0.269 408 E C -0.009 176.634 176.600 0.072 0.000 1.129 408 E CA -0.208 56.266 56.400 0.123 0.000 0.904 408 E CB 0.844 30.677 29.700 0.221 0.000 1.077 408 E HN 0.465 nan 8.360 nan 0.000 0.407 409 R N 2.884 123.405 120.500 0.036 0.000 2.604 409 R HA 0.229 4.570 4.340 0.001 0.000 0.287 409 R C -0.220 176.062 176.300 -0.031 0.000 0.970 409 R CA -0.550 55.522 56.100 -0.046 0.000 0.946 409 R CB 0.958 31.279 30.300 0.035 0.000 1.127 409 R HN 0.531 nan 8.270 nan 0.000 0.473 410 H N 1.147 120.174 119.070 -0.071 0.000 2.871 410 H HA -0.036 4.521 4.556 0.001 0.000 0.377 410 H C -0.174 175.130 175.328 -0.040 0.000 1.307 410 H CA -0.354 55.670 56.048 -0.040 0.000 1.449 410 H CB 0.510 30.226 29.762 -0.078 0.000 1.452 410 H HN 0.204 nan 8.280 nan 0.000 0.619 411 L N 2.393 123.749 121.223 0.221 0.000 2.369 411 L HA 0.075 4.415 4.340 0.001 0.000 0.279 411 L C 0.649 177.654 176.870 0.226 0.000 1.108 411 L CA 0.391 55.331 54.840 0.167 0.000 0.852 411 L CB 0.210 42.366 42.059 0.161 0.000 1.169 411 L HN 0.681 nan 8.230 nan 0.000 0.452 412 T N -1.004 113.600 114.554 0.083 0.000 2.952 412 T HA 0.357 4.707 4.350 0.001 0.000 0.286 412 T C -0.112 174.702 174.700 0.189 0.000 1.024 412 T CA -1.146 61.005 62.100 0.085 0.000 1.029 412 T CB 0.948 69.670 68.868 -0.244 0.000 1.094 412 T HN 0.320 nan 8.240 nan 0.000 0.515 413 D N 0.892 121.449 120.400 0.261 0.000 2.554 413 D HA 0.327 4.967 4.640 0.001 0.000 0.251 413 D C 1.400 177.766 176.300 0.110 0.000 1.213 413 D CA 2.096 56.210 54.000 0.189 0.000 0.900 413 D CB 0.228 41.146 40.800 0.197 0.000 1.135 413 D HN 1.065 nan 8.370 nan 0.000 0.522 414 G N 2.952 111.802 108.800 0.083 0.000 2.296 414 G HA2 -0.195 3.766 3.960 0.001 0.000 0.188 414 G HA3 -0.195 3.766 3.960 0.001 0.000 0.188 414 G C 0.105 175.035 174.900 0.051 0.000 1.000 414 G CA -0.528 44.606 45.100 0.058 0.000 0.672 414 G HN 0.492 nan 8.290 nan 0.000 0.483 415 D N 0.876 121.309 120.400 0.056 0.000 2.423 415 D HA 0.345 4.985 4.640 0.001 0.000 0.238 415 D C 0.712 177.035 176.300 0.039 0.000 1.142 415 D CA 0.327 54.356 54.000 0.047 0.000 0.884 415 D CB 1.953 42.783 40.800 0.051 0.000 1.199 415 D HN 0.107 nan 8.370 nan 0.000 0.438 416 V N 2.819 122.755 119.914 0.038 0.000 2.432 416 V HA 0.232 4.352 4.120 0.001 0.000 0.271 416 V C 0.537 176.658 176.094 0.046 0.000 1.046 416 V CA -0.277 62.048 62.300 0.042 0.000 0.945 416 V CB 1.397 33.245 31.823 0.041 0.000 0.992 416 V HN 0.219 nan 8.190 nan 0.000 0.471 417 V N 5.995 125.944 119.914 0.058 0.000 2.888 417 V HA 0.429 4.550 4.120 0.001 0.000 0.309 417 V C -0.599 175.568 176.094 0.122 0.000 1.114 417 V CA -0.749 61.590 62.300 0.065 0.000 0.940 417 V CB 2.254 34.082 31.823 0.008 0.000 1.021 417 V HN 0.640 nan 8.190 nan 0.000 0.426 418 L N 4.657 125.974 121.223 0.157 0.000 2.319 418 L HA 0.440 4.780 4.340 0.001 0.000 0.280 418 L C -0.613 176.429 176.870 0.286 0.000 1.099 418 L CA 0.539 55.510 54.840 0.219 0.000 0.828 418 L CB 0.464 42.637 42.059 0.189 0.000 1.150 418 L HN 0.498 nan 8.230 nan 0.000 0.442 419 F N 4.058 124.046 119.950 0.062 0.000 2.469 419 F HA 0.498 5.025 4.527 0.001 0.000 0.332 419 F C -0.014 175.745 175.800 -0.069 0.000 1.103 419 F CA -0.972 56.959 58.000 -0.115 0.000 0.979 419 F CB 1.298 40.101 39.000 -0.329 0.000 1.137 419 F HN 0.523 nan 8.300 nan 0.000 0.463 420 N N 4.828 123.224 118.700 -0.507 0.000 2.542 420 N HA 0.245 4.985 4.740 0.001 0.000 0.288 420 N C -1.585 173.663 175.510 -0.438 0.000 1.115 420 N CA -0.599 52.275 53.050 -0.293 0.000 0.924 420 N CB 1.376 39.865 38.487 0.003 0.000 1.526 420 N HN 0.691 nan 8.380 nan 0.000 0.515 421 R N 2.217 122.492 120.500 -0.374 0.000 2.428 421 R HA 0.254 4.595 4.340 0.001 0.000 0.294 421 R C -0.627 175.634 176.300 -0.066 0.000 1.000 421 R CA -0.357 55.602 56.100 -0.236 0.000 0.960 421 R CB 1.038 31.217 30.300 -0.202 0.000 1.076 421 R HN 0.560 nan 8.270 nan 0.000 0.475 422 Q N 3.618 123.381 119.800 -0.061 0.000 2.337 422 Q HA 0.514 4.855 4.340 0.001 0.000 0.266 422 Q C -2.447 173.540 176.000 -0.022 0.000 1.023 422 Q CA -2.305 53.486 55.803 -0.021 0.000 0.829 422 Q CB 1.717 30.446 28.738 -0.015 0.000 1.306 422 Q HN 0.377 nan 8.270 nan 0.000 0.449 423 P HA 0.123 nan 4.420 nan 0.000 0.275 423 P C -0.756 176.555 177.300 0.020 0.000 1.227 423 P CA -0.437 62.666 63.100 0.004 0.000 0.781 423 P CB 0.763 32.464 31.700 0.002 0.000 0.906 424 S N 1.779 117.496 115.700 0.028 0.000 3.548 424 S HA 0.111 4.582 4.470 0.001 0.000 0.195 424 S C 1.231 175.863 174.600 0.054 0.000 1.432 424 S CA -0.383 57.846 58.200 0.049 0.000 1.087 424 S CB -0.766 62.461 63.200 0.044 0.000 1.337 424 S HN 0.278 nan 8.310 nan 0.000 0.505 425 L N 0.210 121.463 121.223 0.050 0.000 1.994 425 L HA 0.059 4.399 4.340 0.001 0.000 0.208 425 L C 1.263 178.202 176.870 0.114 0.000 1.071 425 L CA 1.400 56.267 54.840 0.045 0.000 0.745 425 L CB -0.779 41.276 42.059 -0.007 0.000 0.892 425 L HN 0.392 nan 8.230 nan 0.000 0.431 426 H N -0.402 118.667 119.070 -0.001 0.000 2.495 426 H HA 0.249 4.805 4.556 0.001 0.000 0.350 426 H C 1.176 176.499 175.328 -0.010 0.000 1.202 426 H CA -0.676 55.365 56.048 -0.012 0.000 1.322 426 H CB 1.101 30.845 29.762 -0.030 0.000 1.544 426 H HN 0.033 nan 8.280 nan 0.000 0.565 427 R N 2.372 122.852 120.500 -0.034 0.000 2.115 427 R HA -0.049 4.291 4.340 0.001 0.000 0.230 427 R C 0.981 177.251 176.300 -0.050 0.000 1.111 427 R CA 1.257 57.326 56.100 -0.050 0.000 0.976 427 R CB -0.067 30.179 30.300 -0.090 0.000 0.870 427 R HN 0.420 nan 8.270 nan 0.000 0.445 428 I N 1.646 122.146 120.570 -0.116 0.000 2.454 428 I HA -0.155 4.015 4.170 0.001 0.000 0.254 428 I C 1.667 177.733 176.117 -0.085 0.000 1.156 428 I CA 1.097 62.322 61.300 -0.125 0.000 1.433 428 I CB -1.128 36.764 38.000 -0.179 0.000 1.082 428 I HN 0.192 nan 8.210 nan 0.000 0.432 429 S N 0.117 115.828 115.700 0.017 0.000 2.571 429 S HA -0.030 4.441 4.470 0.001 0.000 0.245 429 S C 0.927 175.709 174.600 0.303 0.000 0.976 429 S CA 0.651 58.934 58.200 0.139 0.000 0.954 429 S CB -0.417 62.872 63.200 0.148 0.000 0.756 429 S HN 0.350 nan 8.310 nan 0.000 0.535 430 M N 1.127 120.859 119.600 0.219 0.000 2.124 430 M HA 0.468 4.948 4.480 0.001 0.000 0.280 430 M C -1.733 174.712 176.300 0.241 0.000 0.954 430 M CA -0.081 55.379 55.300 0.267 0.000 0.958 430 M CB 1.154 33.835 32.600 0.136 0.000 1.611 430 M HN 0.058 nan 8.290 nan 0.000 0.449 431 M N 2.901 122.737 119.600 0.392 0.000 2.501 431 M HA 0.659 5.139 4.480 0.001 0.000 0.293 431 M C -0.510 176.011 176.300 0.368 0.000 1.192 431 M CA -0.660 54.816 55.300 0.293 0.000 0.886 431 M CB 2.433 35.164 32.600 0.219 0.000 1.710 431 M HN 0.658 nan 8.290 nan 0.000 0.457 432 A N 2.127 125.063 122.820 0.193 0.000 2.409 432 A HA 0.474 4.795 4.320 0.001 0.000 0.267 432 A C -0.712 176.942 177.584 0.116 0.000 1.127 432 A CA -0.079 52.061 52.037 0.173 0.000 0.795 432 A CB -0.021 19.032 19.000 0.090 0.000 1.061 432 A HN 0.861 nan 8.150 nan 0.000 0.502 433 H N 1.368 120.464 119.070 0.043 0.000 2.713 433 H HA 0.515 5.071 4.556 0.001 0.000 0.340 433 H C -0.372 174.937 175.328 -0.032 0.000 1.271 433 H CA -0.949 55.091 56.048 -0.012 0.000 1.306 433 H CB 1.133 30.824 29.762 -0.118 0.000 1.839 433 H HN 0.538 nan 8.280 nan 0.000 0.627 434 R N 1.216 121.765 120.500 0.081 0.000 2.393 434 R HA 0.253 4.593 4.340 0.001 0.000 0.315 434 R C -0.873 175.434 176.300 0.011 0.000 0.952 434 R CA -0.871 55.249 56.100 0.033 0.000 0.842 434 R CB 1.611 31.921 30.300 0.017 0.000 1.163 434 R HN 0.252 nan 8.270 nan 0.000 0.450 435 V N 4.229 124.147 119.914 0.006 0.000 2.479 435 V HA 0.096 4.217 4.120 0.001 0.000 0.281 435 V C 0.735 176.837 176.094 0.014 0.000 1.031 435 V CA 0.069 62.361 62.300 -0.014 0.000 1.038 435 V CB 0.517 32.345 31.823 0.008 0.000 0.981 435 V HN 0.508 nan 8.190 nan 0.000 0.478 436 R N 4.924 125.411 120.500 -0.022 0.000 2.363 436 R HA 0.428 4.768 4.340 0.001 0.000 0.297 436 R C -1.219 175.039 176.300 -0.070 0.000 1.208 436 R CA -0.358 55.733 56.100 -0.014 0.000 1.121 436 R CB 1.079 31.369 30.300 -0.018 0.000 1.124 436 R HN 0.492 nan 8.270 nan 0.000 0.561 437 V N 6.868 126.719 119.914 -0.105 0.000 2.450 437 V HA 0.185 4.306 4.120 0.001 0.000 0.281 437 V C 0.385 176.262 176.094 -0.361 0.000 1.019 437 V CA 0.174 62.281 62.300 -0.321 0.000 1.062 437 V CB -0.094 31.309 31.823 -0.699 0.000 0.979 437 V HN 0.667 nan 8.190 nan 0.000 0.477 438 L N 2.317 123.379 121.223 -0.268 0.000 2.409 438 L HA 0.744 5.084 4.340 0.001 0.000 0.255 438 L C -0.400 176.361 176.870 -0.182 0.000 1.027 438 L CA -1.343 53.374 54.840 -0.206 0.000 0.834 438 L CB 2.138 44.124 42.059 -0.120 0.000 1.426 438 L HN 0.274 nan 8.230 nan 0.000 0.411 439 K N 0.300 120.613 120.400 -0.145 0.000 2.336 439 K HA 0.516 4.836 4.320 0.001 0.000 0.262 439 K C 0.243 176.785 176.600 -0.096 0.000 0.992 439 K CA 1.567 57.783 56.287 -0.120 0.000 0.927 439 K CB 0.379 32.825 32.500 -0.090 0.000 0.956 439 K HN 1.088 nan 8.250 nan 0.000 0.495 440 G N 0.644 109.391 108.800 -0.088 0.000 2.712 440 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 440 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 440 G C -0.104 174.743 174.900 -0.088 0.000 1.321 440 G CA -0.647 44.406 45.100 -0.079 0.000 0.813 440 G HN 0.544 nan 8.290 nan 0.000 0.599 441 L N 1.179 122.346 121.223 -0.092 0.000 2.685 441 L HA 0.284 4.625 4.340 0.001 0.000 0.233 441 L C 1.617 178.384 176.870 -0.171 0.000 1.173 441 L CA 0.619 55.387 54.840 -0.119 0.000 0.961 441 L CB -0.599 41.394 42.059 -0.110 0.000 1.217 441 L HN 0.898 nan 8.230 nan 0.000 0.478 442 T N -3.275 111.197 114.554 -0.137 0.000 2.912 442 T HA 0.491 4.841 4.350 0.001 0.000 0.288 442 T C -0.319 174.361 174.700 -0.033 0.000 1.030 442 T CA -0.523 61.480 62.100 -0.162 0.000 1.020 442 T CB 1.476 70.303 68.868 -0.068 0.000 1.056 442 T HN -0.056 nan 8.240 nan 0.000 0.480 443 F N 1.938 121.908 119.950 0.033 0.000 2.443 443 F HA 0.446 4.974 4.527 0.001 0.000 0.353 443 F C 1.403 177.222 175.800 0.032 0.000 1.101 443 F CA -1.227 56.789 58.000 0.027 0.000 1.226 443 F CB 0.862 39.979 39.000 0.196 0.000 1.140 443 F HN 0.215 nan 8.300 nan 0.000 0.557 444 R N 3.662 124.244 120.500 0.137 0.000 2.338 444 R HA 0.485 4.825 4.340 0.001 0.000 0.317 444 R C -1.079 175.245 176.300 0.041 0.000 0.968 444 R CA -0.999 55.143 56.100 0.070 0.000 0.849 444 R CB 1.621 31.923 30.300 0.004 0.000 1.128 444 R HN 0.484 nan 8.270 nan 0.000 0.448 445 L N 1.933 123.265 121.223 0.182 0.000 2.334 445 L HA 0.433 4.773 4.340 0.001 0.000 0.273 445 L C -0.081 176.925 176.870 0.227 0.000 1.013 445 L CA -0.518 54.468 54.840 0.244 0.000 0.816 445 L CB 1.636 43.955 42.059 0.434 0.000 1.278 445 L HN 0.478 nan 8.230 nan 0.000 0.431 446 N N 3.378 122.205 118.700 0.212 0.000 2.488 446 N HA 0.107 4.848 4.740 0.001 0.000 0.274 446 N C 0.924 176.545 175.510 0.185 0.000 1.111 446 N CA -0.045 53.099 53.050 0.157 0.000 0.974 446 N CB 1.067 39.610 38.487 0.092 0.000 1.089 446 N HN 0.782 nan 8.380 nan 0.000 0.465 447 L N 3.668 125.006 121.223 0.192 0.000 2.263 447 L HA -0.188 4.153 4.340 0.001 0.000 0.216 447 L C 2.020 178.937 176.870 0.078 0.000 1.111 447 L CA 1.056 56.037 54.840 0.236 0.000 0.773 447 L CB -0.158 42.101 42.059 0.334 0.000 0.906 447 L HN 0.589 nan 8.230 nan 0.000 0.439 448 L N -1.235 119.935 121.223 -0.088 0.000 2.313 448 L HA -0.059 4.282 4.340 0.001 0.000 0.214 448 L C 1.486 178.286 176.870 -0.118 0.000 1.119 448 L CA 0.243 54.945 54.840 -0.231 0.000 0.809 448 L CB -0.245 41.547 42.059 -0.445 0.000 0.933 448 L HN 0.093 nan 8.230 nan 0.000 0.449 449 V N -2.919 116.991 119.914 -0.007 0.000 3.249 449 V HA 0.031 4.151 4.120 0.001 0.000 0.338 449 V C 1.762 177.929 176.094 0.121 0.000 1.363 449 V CA -0.065 62.256 62.300 0.035 0.000 1.205 449 V CB -0.515 31.388 31.823 0.134 0.000 1.164 449 V HN 0.405 nan 8.190 nan 0.000 0.458 450 C N 0.810 120.174 119.300 0.107 0.000 2.476 450 C HA 0.020 4.480 4.460 0.001 0.000 0.278 450 C C 0.657 175.670 174.990 0.039 0.000 1.274 450 C CA 1.187 60.271 59.018 0.110 0.000 1.713 450 C CB -1.226 26.558 27.740 0.073 0.000 2.039 450 C HN 0.470 nan 8.230 nan 0.000 0.484 451 P HA -0.096 nan 4.420 nan 0.000 0.216 451 P C -1.529 175.729 177.300 -0.071 0.000 1.153 451 P CA 2.180 65.256 63.100 -0.040 0.000 0.858 451 P CB -1.220 30.448 31.700 -0.054 0.000 0.789 452 P HA -0.200 nan 4.420 nan 0.000 0.211 452 P C 1.240 178.415 177.300 -0.208 0.000 1.181 452 P CA 1.647 64.589 63.100 -0.263 0.000 0.929 452 P CB -0.785 30.581 31.700 -0.556 0.000 0.789 453 Y N -2.358 117.949 120.300 0.012 0.000 2.574 453 Y HA -0.018 4.532 4.550 0.001 0.000 0.294 453 Y C 0.803 176.674 175.900 -0.047 0.000 1.142 453 Y CA 0.379 58.467 58.100 -0.020 0.000 1.314 453 Y CB -1.045 37.390 38.460 -0.042 0.000 0.991 453 Y HN -0.016 nan 8.280 nan 0.000 0.555 454 N N 0.240 118.976 118.700 0.059 0.000 2.696 454 N HA -0.191 4.550 4.740 0.001 0.000 0.256 454 N C -0.990 174.506 175.510 -0.023 0.000 1.031 454 N CA 0.495 53.548 53.050 0.005 0.000 0.730 454 N CB -0.957 37.524 38.487 -0.009 0.000 0.894 454 N HN 0.382 nan 8.380 nan 0.000 0.544 455 A N 1.031 123.824 122.820 -0.045 0.000 2.317 455 A HA 0.630 4.951 4.320 0.001 0.000 0.327 455 A C -0.097 177.302 177.584 -0.309 0.000 1.178 455 A CA -0.114 51.818 52.037 -0.175 0.000 0.817 455 A CB 0.868 19.751 19.000 -0.194 0.000 1.189 455 A HN 0.563 nan 8.150 nan 0.000 0.489 456 D N -0.600 119.587 120.400 -0.356 0.000 2.497 456 D HA 0.565 5.205 4.640 0.001 0.000 0.243 456 D C -0.892 175.083 176.300 -0.543 0.000 1.039 456 D CA -0.687 53.069 54.000 -0.408 0.000 1.052 456 D CB 0.527 41.247 40.800 -0.133 0.000 1.344 456 D HN 0.234 nan 8.370 nan 0.000 0.553 457 F N -0.104 119.862 119.950 0.027 0.000 2.893 457 F HA 0.194 4.721 4.527 0.001 0.000 0.340 457 F C 0.459 176.264 175.800 0.008 0.000 1.300 457 F CA -0.710 57.302 58.000 0.020 0.000 1.227 457 F CB 0.450 39.467 39.000 0.029 0.000 1.044 457 F HN 0.243 nan 8.300 nan 0.000 0.512 458 D N -0.361 120.093 120.400 0.090 0.000 2.427 458 D HA 0.255 4.895 4.640 0.001 0.000 0.224 458 D C 1.004 177.324 176.300 0.033 0.000 1.157 458 D CA -0.128 53.907 54.000 0.057 0.000 0.828 458 D CB 0.504 41.320 40.800 0.026 0.000 0.974 458 D HN 0.349 nan 8.370 nan 0.000 0.498 459 G N 0.846 109.673 108.800 0.044 0.000 3.035 459 G HA2 -0.112 3.849 3.960 0.001 0.000 0.214 459 G HA3 -0.112 3.849 3.960 0.001 0.000 0.214 459 G C -1.360 173.534 174.900 -0.009 0.000 1.063 459 G CA -0.818 44.292 45.100 0.018 0.000 1.109 459 G HN 0.230 nan 8.290 nan 0.000 0.563 460 D N 0.461 120.853 120.400 -0.013 0.000 2.248 460 D HA 0.595 5.236 4.640 0.001 0.000 0.246 460 D C 0.276 176.551 176.300 -0.042 0.000 1.027 460 D CA -0.146 53.822 54.000 -0.052 0.000 0.853 460 D CB 1.336 42.069 40.800 -0.111 0.000 1.243 460 D HN 0.366 nan 8.370 nan 0.000 0.462 461 E N 1.375 121.538 120.200 -0.061 0.000 2.207 461 E HA 0.604 4.955 4.350 0.001 0.000 0.270 461 E C -0.530 176.015 176.600 -0.092 0.000 0.927 461 E CA -0.768 55.593 56.400 -0.064 0.000 0.799 461 E CB 2.266 31.927 29.700 -0.065 0.000 1.172 461 E HN 0.302 nan 8.360 nan 0.000 0.404 462 M N 1.674 121.233 119.600 -0.068 0.000 2.501 462 M HA 0.338 4.818 4.480 0.001 0.000 0.293 462 M C -0.989 175.270 176.300 -0.068 0.000 1.192 462 M CA -1.040 54.135 55.300 -0.209 0.000 0.886 462 M CB 2.126 34.371 32.600 -0.591 0.000 1.710 462 M HN 0.287 nan 8.290 nan 0.000 0.457 463 N N 2.182 120.762 118.700 -0.200 0.000 2.499 463 N HA 0.498 5.238 4.740 0.001 0.000 0.281 463 N C -1.555 173.869 175.510 -0.142 0.000 1.098 463 N CA -0.348 52.629 53.050 -0.122 0.000 0.979 463 N CB 1.166 39.600 38.487 -0.087 0.000 1.121 463 N HN 0.396 nan 8.380 nan 0.000 0.466 464 L N 3.507 124.649 121.223 -0.134 0.000 2.415 464 L HA 0.382 4.723 4.340 0.001 0.000 0.268 464 L C -1.156 175.602 176.870 -0.187 0.000 0.984 464 L CA -0.564 54.226 54.840 -0.083 0.000 0.853 464 L CB -0.020 41.923 42.059 -0.193 0.000 1.215 464 L HN 0.667 nan 8.230 nan 0.000 0.419 465 H N 2.965 122.080 119.070 0.076 0.000 2.479 465 H HA 0.621 5.178 4.556 0.001 0.000 0.335 465 H C -0.353 175.024 175.328 0.082 0.000 1.142 465 H CA -0.565 55.538 56.048 0.091 0.000 1.234 465 H CB 2.123 31.933 29.762 0.081 0.000 1.503 465 H HN 0.279 nan 8.280 nan 0.000 0.510 466 V N 5.018 125.062 119.914 0.216 0.000 2.284 466 V HA 0.219 4.340 4.120 0.001 0.000 0.274 466 V C -2.133 173.991 176.094 0.050 0.000 1.023 466 V CA -1.783 60.588 62.300 0.118 0.000 0.808 466 V CB 0.688 32.580 31.823 0.115 0.000 1.035 466 V HN 0.720 nan 8.190 nan 0.000 0.445 467 P HA 0.077 nan 4.420 nan 0.000 0.266 467 P C -0.094 177.144 177.300 -0.103 0.000 1.193 467 P CA 0.213 63.305 63.100 -0.014 0.000 0.770 467 P CB 1.328 33.031 31.700 0.005 0.000 0.836 468 Q N 0.590 120.306 119.800 -0.140 0.000 2.606 468 Q HA 0.040 4.380 4.340 0.001 0.000 0.215 468 Q C 0.921 176.855 176.000 -0.109 0.000 0.908 468 Q CA 0.577 56.253 55.803 -0.211 0.000 0.908 468 Q CB -0.871 27.667 28.738 -0.333 0.000 1.120 468 Q HN 0.673 nan 8.270 nan 0.000 0.628 469 S N 1.982 117.641 115.700 -0.069 0.000 2.558 469 S HA -0.046 4.425 4.470 0.001 0.000 0.287 469 S C 1.101 175.687 174.600 -0.024 0.000 1.321 469 S CA -0.037 58.141 58.200 -0.037 0.000 1.048 469 S CB 0.738 63.925 63.200 -0.021 0.000 0.844 469 S HN 0.148 nan 8.310 nan 0.000 0.512 470 E N 2.881 123.074 120.200 -0.011 0.000 2.110 470 E HA -0.188 4.163 4.350 0.001 0.000 0.193 470 E C 1.754 178.357 176.600 0.005 0.000 0.988 470 E CA 1.694 58.095 56.400 0.002 0.000 0.804 470 E CB -0.406 29.301 29.700 0.012 0.000 0.745 470 E HN 0.920 nan 8.360 nan 0.000 0.458 471 E N 1.444 121.646 120.200 0.002 0.000 2.028 471 E HA -0.058 4.293 4.350 0.001 0.000 0.190 471 E C 2.214 178.815 176.600 0.002 0.000 0.984 471 E CA 0.945 57.347 56.400 0.004 0.000 0.800 471 E CB -0.211 29.490 29.700 0.002 0.000 0.758 471 E HN 0.240 nan 8.360 nan 0.000 0.448 472 A N 1.574 124.392 122.820 -0.003 0.000 1.908 472 A HA -0.207 4.113 4.320 0.001 0.000 0.218 472 A C 2.254 179.840 177.584 0.003 0.000 1.181 472 A CA 1.301 53.337 52.037 -0.002 0.000 0.627 472 A CB -0.824 18.172 19.000 -0.007 0.000 0.818 472 A HN 0.157 nan 8.150 nan 0.000 0.445 473 I N -0.198 120.373 120.570 0.002 0.000 2.118 473 I HA -0.361 3.809 4.170 0.001 0.000 0.241 473 I C 2.957 179.084 176.117 0.016 0.000 1.070 473 I CA 1.508 62.813 61.300 0.009 0.000 1.327 473 I CB -0.432 37.572 38.000 0.007 0.000 1.034 473 I HN 0.367 nan 8.210 nan 0.000 0.405 474 A N -0.129 122.699 122.820 0.014 0.000 1.897 474 A HA -0.211 4.109 4.320 0.001 0.000 0.215 474 A C 2.272 179.864 177.584 0.013 0.000 1.181 474 A CA 1.603 53.650 52.037 0.016 0.000 0.620 474 A CB -0.589 18.421 19.000 0.016 0.000 0.821 474 A HN 0.437 nan 8.150 nan 0.000 0.443 475 E N -0.225 119.979 120.200 0.008 0.000 2.058 475 E HA -0.147 4.203 4.350 0.001 0.000 0.194 475 E C 2.045 178.648 176.600 0.005 0.000 0.997 475 E CA 1.064 57.465 56.400 0.003 0.000 0.801 475 E CB -0.234 29.465 29.700 -0.002 0.000 0.746 475 E HN 0.574 nan 8.360 nan 0.000 0.450 476 A N 0.479 123.306 122.820 0.012 0.000 2.178 476 A HA -0.162 4.159 4.320 0.001 0.000 0.218 476 A C 1.912 179.511 177.584 0.026 0.000 1.157 476 A CA 1.091 53.141 52.037 0.021 0.000 0.689 476 A CB -0.202 18.817 19.000 0.032 0.000 0.787 476 A HN 0.064 nan 8.150 nan 0.000 0.465 477 K N -1.191 119.223 120.400 0.023 0.000 2.308 477 K HA 0.039 4.359 4.320 0.001 0.000 0.197 477 K C 1.401 178.016 176.600 0.025 0.000 1.049 477 K CA 0.544 56.849 56.287 0.030 0.000 0.991 477 K CB 0.196 32.715 32.500 0.033 0.000 0.836 477 K HN 0.252 nan 8.250 nan 0.000 0.500 478 E N 0.420 120.628 120.200 0.013 0.000 2.230 478 E HA 0.046 4.396 4.350 0.001 0.000 0.192 478 E C 1.438 178.031 176.600 -0.012 0.000 0.987 478 E CA 0.776 57.178 56.400 0.004 0.000 0.841 478 E CB 0.330 30.031 29.700 0.000 0.000 0.783 478 E HN 0.334 nan 8.360 nan 0.000 0.481 479 I N -1.480 119.081 120.570 -0.014 0.000 3.565 479 I HA 0.078 4.248 4.170 0.001 0.000 0.287 479 I C 1.552 177.651 176.117 -0.031 0.000 1.193 479 I CA 0.268 61.553 61.300 -0.025 0.000 1.402 479 I CB 0.056 38.040 38.000 -0.026 0.000 1.284 479 I HN -0.051 nan 8.210 nan 0.000 0.454 480 M N 1.644 121.235 119.600 -0.014 0.000 2.494 480 M HA 0.231 4.712 4.480 0.001 0.000 0.232 480 M C 0.162 176.458 176.300 -0.006 0.000 1.137 480 M CA 0.133 55.430 55.300 -0.005 0.000 1.012 480 M CB 0.389 33.003 32.600 0.024 0.000 1.567 480 M HN 0.119 nan 8.290 nan 0.000 0.486 481 L N 0.775 121.987 121.223 -0.017 0.000 2.410 481 L HA 0.036 4.376 4.340 0.001 0.000 0.273 481 L C 1.507 178.341 176.870 -0.059 0.000 1.144 481 L CA -0.506 54.331 54.840 -0.005 0.000 0.863 481 L CB 1.096 43.208 42.059 0.088 0.000 1.140 481 L HN 0.068 nan 8.230 nan 0.000 0.463 482 V N 2.262 122.113 119.914 -0.104 0.000 2.250 482 V HA -0.358 3.763 4.120 0.001 0.000 0.250 482 V C 2.111 178.156 176.094 -0.081 0.000 1.060 482 V CA 2.528 64.746 62.300 -0.137 0.000 1.030 482 V CB -1.309 30.363 31.823 -0.251 0.000 0.643 482 V HN 1.071 nan 8.190 nan 0.000 0.445 483 H N -0.186 118.815 119.070 -0.115 0.000 2.568 483 H HA -0.002 4.555 4.556 0.001 0.000 0.281 483 H C 1.824 177.122 175.328 -0.051 0.000 1.028 483 H CA 1.495 57.495 56.048 -0.080 0.000 1.199 483 H CB -0.232 29.496 29.762 -0.055 0.000 1.352 483 H HN 0.421 nan 8.280 nan 0.000 0.605 484 K N -0.367 119.800 120.400 -0.387 0.000 2.425 484 K HA 0.177 4.498 4.320 0.001 0.000 0.201 484 K C 0.567 177.066 176.600 -0.167 0.000 1.128 484 K CA 0.000 56.084 56.287 -0.339 0.000 1.000 484 K CB 0.669 32.961 32.500 -0.347 0.000 0.961 484 K HN 0.337 nan 8.250 nan 0.000 0.555 485 N N 1.103 119.711 118.700 -0.153 0.000 2.273 485 N HA 0.123 4.864 4.740 0.001 0.000 0.231 485 N C 0.887 176.297 175.510 -0.166 0.000 1.134 485 N CA 0.119 53.084 53.050 -0.142 0.000 0.856 485 N CB 0.590 38.995 38.487 -0.136 0.000 1.068 485 N HN 0.116 nan 8.380 nan 0.000 0.510 486 I N 1.173 121.647 120.570 -0.159 0.000 2.399 486 I HA -0.195 3.975 4.170 0.001 0.000 0.254 486 I C 0.919 176.895 176.117 -0.236 0.000 1.146 486 I CA 1.184 62.375 61.300 -0.180 0.000 1.412 486 I CB -0.183 37.727 38.000 -0.151 0.000 1.076 486 I HN 0.157 nan 8.210 nan 0.000 0.432 487 I N -1.402 119.022 120.570 -0.242 0.000 2.359 487 I HA 0.307 4.478 4.170 0.001 0.000 0.294 487 I C -0.047 175.862 176.117 -0.347 0.000 0.987 487 I CA -0.601 60.498 61.300 -0.335 0.000 1.225 487 I CB 1.100 38.922 38.000 -0.297 0.000 1.366 487 I HN -0.238 nan 8.210 nan 0.000 0.466 488 T N 6.277 120.555 114.554 -0.460 0.000 2.884 488 T HA 0.179 4.529 4.350 0.001 0.000 0.298 488 T C -1.743 172.692 174.700 -0.441 0.000 0.998 488 T CA -0.836 61.002 62.100 -0.437 0.000 1.124 488 T CB 1.066 69.639 68.868 -0.493 0.000 0.931 488 T HN 0.506 nan 8.240 nan 0.000 0.531 489 P HA -0.020 nan 4.420 nan 0.000 0.225 489 P C 1.585 178.686 177.300 -0.332 0.000 1.148 489 P CA 0.388 63.254 63.100 -0.391 0.000 0.779 489 P CB 0.175 31.721 31.700 -0.258 0.000 0.780 490 R N -0.110 120.280 120.500 -0.182 0.000 2.096 490 R HA -0.103 4.238 4.340 0.001 0.000 0.235 490 R C -0.093 176.290 176.300 0.137 0.000 1.127 490 R CA 1.330 57.476 56.100 0.077 0.000 0.968 490 R CB -0.047 30.485 30.300 0.387 0.000 0.861 490 R HN 0.272 nan 8.270 nan 0.000 0.440 491 Y N -3.790 116.432 120.300 -0.129 0.000 2.282 491 Y HA 0.366 4.916 4.550 0.001 0.000 0.317 491 Y C -0.413 175.329 175.900 -0.263 0.000 1.236 491 Y CA -1.178 56.840 58.100 -0.137 0.000 1.134 491 Y CB 0.088 38.536 38.460 -0.020 0.000 1.267 491 Y HN 0.054 nan 8.280 nan 0.000 0.410 492 G N 2.045 110.621 108.800 -0.373 0.000 2.198 492 G HA2 0.393 4.354 3.960 0.001 0.000 0.280 492 G HA3 0.393 4.354 3.960 0.001 0.000 0.280 492 G C 0.249 174.821 174.900 -0.546 0.000 0.954 492 G CA 0.685 45.537 45.100 -0.414 0.000 1.281 492 G HN 1.530 nan 8.290 nan 0.000 0.373 493 G N 3.274 111.613 108.800 -0.768 0.000 2.667 493 G HA2 0.637 4.598 3.960 0.001 0.000 0.294 493 G HA3 0.637 4.598 3.960 0.001 0.000 0.294 493 G C -3.314 171.142 174.900 -0.741 0.000 1.467 493 G CA -0.965 43.641 45.100 -0.823 0.000 0.852 493 G HN 0.250 nan 8.290 nan 0.000 0.521 494 P HA 0.244 nan 4.420 nan 0.000 0.276 494 P C 0.600 177.733 177.300 -0.277 0.000 1.253 494 P CA -0.258 62.591 63.100 -0.418 0.000 0.766 494 P CB 1.970 33.464 31.700 -0.344 0.000 0.845 495 I N 3.629 124.044 120.570 -0.257 0.000 3.081 495 I HA 0.129 4.299 4.170 0.001 0.000 0.274 495 I C 0.700 176.718 176.117 -0.165 0.000 1.178 495 I CA 0.026 61.222 61.300 -0.173 0.000 1.460 495 I CB 0.365 38.271 38.000 -0.157 0.000 1.137 495 I HN 0.143 nan 8.210 nan 0.000 0.443 496 I N 2.509 122.962 120.570 -0.195 0.000 2.347 496 I HA 0.382 4.552 4.170 0.001 0.000 0.294 496 I C 0.359 176.333 176.117 -0.237 0.000 1.090 496 I CA -0.052 61.130 61.300 -0.197 0.000 1.314 496 I CB 0.133 38.018 38.000 -0.191 0.000 1.423 496 I HN 0.160 nan 8.210 nan 0.000 0.503 497 G N 3.914 112.572 108.800 -0.236 0.000 2.623 497 G HA2 0.667 4.627 3.960 0.001 0.000 0.290 497 G HA3 0.667 4.627 3.960 0.001 0.000 0.290 497 G C -1.138 173.604 174.900 -0.264 0.000 1.437 497 G CA -0.690 44.252 45.100 -0.264 0.000 0.798 497 G HN 0.688 nan 8.290 nan 0.000 0.488 498 A N -0.545 122.125 122.820 -0.250 0.000 2.507 498 A HA 0.648 4.968 4.320 0.001 0.000 0.235 498 A C 1.198 178.762 177.584 -0.033 0.000 1.070 498 A CA 1.323 53.255 52.037 -0.174 0.000 0.768 498 A CB 0.451 19.482 19.000 0.052 0.000 1.011 498 A HN 2.067 nan 8.150 nan 0.000 0.502 499 A N 0.301 123.177 122.820 0.093 0.000 2.392 499 A HA 0.351 4.671 4.320 0.001 0.000 0.217 499 A C 1.520 179.189 177.584 0.141 0.000 2.391 499 A CA 0.828 52.946 52.037 0.134 0.000 1.329 499 A CB -0.156 18.959 19.000 0.191 0.000 1.199 499 A HN 0.933 nan 8.150 nan 0.000 0.527 500 Q N -2.605 117.306 119.800 0.184 0.000 2.546 500 Q HA 0.111 4.451 4.340 0.001 0.000 0.226 500 Q C 0.499 176.524 176.000 0.043 0.000 0.769 500 Q CA 0.435 56.297 55.803 0.098 0.000 0.954 500 Q CB 0.033 28.826 28.738 0.091 0.000 1.319 500 Q HN 0.317 nan 8.270 nan 0.000 0.534 501 D N 0.667 121.086 120.400 0.031 0.000 2.183 501 D HA -0.039 4.601 4.640 0.001 0.000 0.203 501 D C 1.518 177.755 176.300 -0.105 0.000 0.969 501 D CA 1.016 54.960 54.000 -0.092 0.000 0.842 501 D CB -0.061 40.640 40.800 -0.165 0.000 0.957 501 D HN 0.229 nan 8.370 nan 0.000 0.484 502 Y N 0.674 121.007 120.300 0.055 0.000 2.133 502 Y HA -0.098 4.452 4.550 0.001 0.000 0.287 502 Y C 2.414 178.269 175.900 -0.075 0.000 1.134 502 Y CA 0.562 58.720 58.100 0.097 0.000 1.133 502 Y CB -0.250 38.330 38.460 0.200 0.000 0.987 502 Y HN -0.051 nan 8.280 nan 0.000 0.502 503 I N -1.088 119.539 120.570 0.095 0.000 2.286 503 I HA -0.288 3.882 4.170 0.001 0.000 0.248 503 I C 2.526 178.606 176.117 -0.063 0.000 1.115 503 I CA 1.616 62.898 61.300 -0.030 0.000 1.392 503 I CB -1.366 36.632 38.000 -0.004 0.000 1.065 503 I HN 0.203 nan 8.210 nan 0.000 0.418 504 S N 0.890 116.529 115.700 -0.102 0.000 2.371 504 S HA -0.060 4.410 4.470 0.001 0.000 0.224 504 S C 2.142 176.672 174.600 -0.116 0.000 1.029 504 S CA 1.386 59.457 58.200 -0.214 0.000 0.978 504 S CB -0.468 62.390 63.200 -0.571 0.000 0.833 504 S HN 0.501 nan 8.310 nan 0.000 0.466 505 G N 0.800 109.560 108.800 -0.066 0.000 2.418 505 G HA2 -0.035 3.926 3.960 0.001 0.000 0.217 505 G HA3 -0.035 3.926 3.960 0.001 0.000 0.217 505 G C 1.633 176.604 174.900 0.119 0.000 1.158 505 G CA 0.835 46.010 45.100 0.125 0.000 0.771 505 G HN 0.670 nan 8.290 nan 0.000 0.545 506 A N -0.475 122.264 122.820 -0.136 0.000 2.070 506 A HA -0.013 4.307 4.320 0.001 0.000 0.220 506 A C 2.113 179.671 177.584 -0.044 0.000 1.159 506 A CA 1.606 53.434 52.037 -0.347 0.000 0.656 506 A CB -0.469 17.959 19.000 -0.953 0.000 0.800 506 A HN 0.530 nan 8.150 nan 0.000 0.453 507 Y N -0.002 120.260 120.300 -0.064 0.000 2.347 507 Y HA 0.108 4.658 4.550 0.000 0.000 0.294 507 Y C 1.725 177.667 175.900 0.070 0.000 1.117 507 Y CA 1.243 59.349 58.100 0.010 0.000 1.184 507 Y CB -0.087 38.376 38.460 0.005 0.000 1.047 507 Y HN 0.186 nan 8.280 nan 0.000 0.546 508 L N -0.532 120.784 121.223 0.154 0.000 2.291 508 L HA -0.129 4.211 4.340 0.001 0.000 0.214 508 L C 1.982 178.921 176.870 0.114 0.000 1.120 508 L CA 0.525 55.520 54.840 0.257 0.000 0.799 508 L CB -0.429 41.959 42.059 0.549 0.000 0.925 508 L HN 0.288 nan 8.230 nan 0.000 0.446 509 L N -0.442 120.646 121.223 -0.225 0.000 2.189 509 L HA -0.027 4.313 4.340 0.001 0.000 0.199 509 L C 2.482 179.138 176.870 -0.356 0.000 1.074 509 L CA 1.921 56.345 54.840 -0.693 0.000 0.783 509 L CB -0.613 41.027 42.059 -0.699 0.000 0.955 509 L HN 0.274 nan 8.230 nan 0.000 0.460 510 T N -1.770 112.640 114.554 -0.240 0.000 3.160 510 T HA 0.112 4.463 4.350 0.001 0.000 0.257 510 T C 0.723 175.323 174.700 -0.167 0.000 1.147 510 T CA 0.378 62.358 62.100 -0.201 0.000 1.064 510 T CB -1.520 67.237 68.868 -0.184 0.000 0.949 510 T HN 0.172 nan 8.240 nan 0.000 0.526 511 V N 0.056 119.843 119.914 -0.211 0.000 3.319 511 V HA 0.285 4.405 4.120 0.001 0.000 0.303 511 V C 1.434 177.483 176.094 -0.074 0.000 1.094 511 V CA -1.004 61.195 62.300 -0.168 0.000 1.106 511 V CB 0.544 32.228 31.823 -0.231 0.000 1.099 511 V HN 0.140 nan 8.190 nan 0.000 0.476 512 K N 0.457 120.839 120.400 -0.030 0.000 2.097 512 K HA -0.029 4.292 4.320 0.001 0.000 0.205 512 K C 1.103 177.693 176.600 -0.016 0.000 1.050 512 K CA 1.584 57.864 56.287 -0.013 0.000 0.938 512 K CB -0.439 32.064 32.500 0.005 0.000 0.718 512 K HN 0.800 nan 8.250 nan 0.000 0.442 513 T N 2.283 116.834 114.554 -0.005 0.000 3.843 513 T HA 0.102 4.452 4.350 0.001 0.000 0.227 513 T C -0.488 174.231 174.700 0.032 0.000 1.043 513 T CA 0.103 62.204 62.100 0.001 0.000 1.012 513 T CB -0.029 68.845 68.868 0.010 0.000 1.279 513 T HN 0.008 nan 8.240 nan 0.000 0.730 514 T N 2.779 117.349 114.554 0.027 0.000 2.965 514 T HA 0.506 4.856 4.350 0.001 0.000 0.306 514 T C -0.973 173.777 174.700 0.084 0.000 0.991 514 T CA -0.566 61.587 62.100 0.088 0.000 1.001 514 T CB 1.045 69.950 68.868 0.061 0.000 0.984 514 T HN 0.072 nan 8.240 nan 0.000 0.446 515 L N 4.170 125.463 121.223 0.117 0.000 2.356 515 L HA 0.683 5.024 4.340 0.001 0.000 0.277 515 L C -1.140 175.943 176.870 0.355 0.000 0.996 515 L CA -0.537 54.402 54.840 0.165 0.000 0.822 515 L CB 1.601 43.572 42.059 -0.147 0.000 1.256 515 L HN 0.494 nan 8.230 nan 0.000 0.413 516 L N 2.156 123.626 121.223 0.412 0.000 2.346 516 L HA 0.654 4.994 4.340 0.001 0.000 0.274 516 L C 0.404 177.450 176.870 0.293 0.000 1.007 516 L CA -0.346 54.702 54.840 0.347 0.000 0.818 516 L CB 1.930 44.161 42.059 0.287 0.000 1.284 516 L HN 0.524 nan 8.230 nan 0.000 0.424 517 T N 0.259 114.912 114.554 0.164 0.000 2.918 517 T HA 0.084 4.434 4.350 0.001 0.000 0.302 517 T C 1.253 176.034 174.700 0.136 0.000 1.045 517 T CA -0.547 61.566 62.100 0.021 0.000 1.114 517 T CB 0.579 69.448 68.868 0.002 0.000 0.965 517 T HN 0.496 nan 8.240 nan 0.000 0.540 518 K N 0.940 121.413 120.400 0.121 0.000 2.304 518 K HA -0.204 4.117 4.320 0.001 0.000 0.204 518 K C 2.081 178.753 176.600 0.119 0.000 1.044 518 K CA 1.551 57.981 56.287 0.239 0.000 0.932 518 K CB 0.058 32.643 32.500 0.141 0.000 0.735 518 K HN 0.629 nan 8.250 nan 0.000 0.468 519 E N 0.385 120.627 120.200 0.070 0.000 2.057 519 E HA -0.107 4.243 4.350 0.001 0.000 0.190 519 E C 1.889 178.521 176.600 0.054 0.000 0.969 519 E CA 0.553 56.980 56.400 0.046 0.000 0.812 519 E CB 0.045 29.764 29.700 0.031 0.000 0.777 519 E HN 0.327 nan 8.360 nan 0.000 0.455 520 E N 1.177 121.424 120.200 0.078 0.000 2.130 520 E HA -0.233 4.118 4.350 0.001 0.000 0.196 520 E C 1.978 178.638 176.600 0.100 0.000 0.998 520 E CA 1.013 57.474 56.400 0.102 0.000 0.806 520 E CB -0.119 29.668 29.700 0.146 0.000 0.738 520 E HN 0.185 nan 8.360 nan 0.000 0.459 521 A N 1.405 124.269 122.820 0.073 0.000 1.824 521 A HA -0.273 4.048 4.320 0.001 0.000 0.215 521 A C 2.052 179.606 177.584 -0.050 0.000 1.209 521 A CA 1.643 53.661 52.037 -0.031 0.000 0.614 521 A CB -0.716 18.137 19.000 -0.245 0.000 0.852 521 A HN 0.186 nan 8.150 nan 0.000 0.447 522 Q N -0.960 118.803 119.800 -0.063 0.000 2.297 522 Q HA -0.234 4.107 4.340 0.001 0.000 0.208 522 Q C 2.141 178.137 176.000 -0.006 0.000 0.981 522 Q CA 1.468 57.243 55.803 -0.046 0.000 0.876 522 Q CB -0.152 28.564 28.738 -0.036 0.000 0.921 522 Q HN 0.817 nan 8.270 nan 0.000 0.446 523 Q N 0.364 120.173 119.800 0.016 0.000 2.230 523 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 523 Q C 1.779 177.802 176.000 0.039 0.000 0.963 523 Q CA 0.687 56.507 55.803 0.028 0.000 0.866 523 Q CB 0.218 28.978 28.738 0.036 0.000 0.931 523 Q HN 0.431 nan 8.270 nan 0.000 0.452 524 I N -0.111 120.490 120.570 0.052 0.000 2.235 524 I HA -0.202 3.969 4.170 0.001 0.000 0.241 524 I C 1.248 177.394 176.117 0.049 0.000 1.085 524 I CA 0.423 61.764 61.300 0.070 0.000 1.378 524 I CB -0.011 38.054 38.000 0.107 0.000 1.076 524 I HN 0.237 nan 8.210 nan 0.000 0.415 525 L N 1.137 122.377 121.223 0.030 0.000 2.642 525 L HA -0.055 4.285 4.340 0.001 0.000 0.236 525 L C 2.332 179.221 176.870 0.031 0.000 1.169 525 L CA 1.139 55.999 54.840 0.032 0.000 0.851 525 L CB -2.274 39.768 42.059 -0.028 0.000 0.968 525 L HN 0.261 nan 8.230 nan 0.000 0.453 526 G N -0.495 108.321 108.800 0.027 0.000 2.421 526 G HA2 -0.090 3.870 3.960 0.001 0.000 0.217 526 G HA3 -0.090 3.870 3.960 0.001 0.000 0.217 526 G C 1.585 176.502 174.900 0.030 0.000 1.143 526 G CA 0.795 45.910 45.100 0.025 0.000 0.784 526 G HN 0.321 nan 8.290 nan 0.000 0.541 527 V N 0.993 120.925 119.914 0.030 0.000 2.548 527 V HA 0.234 4.355 4.120 0.001 0.000 0.249 527 V C 1.881 177.989 176.094 0.024 0.000 1.055 527 V CA 0.686 62.999 62.300 0.022 0.000 1.065 527 V CB -1.050 30.780 31.823 0.012 0.000 0.681 527 V HN 0.454 nan 8.190 nan 0.000 0.462 528 A N 0.549 123.396 122.820 0.045 0.000 2.322 528 A HA 0.356 4.676 4.320 0.001 0.000 0.269 528 A C -0.095 177.550 177.584 0.101 0.000 1.094 528 A CA -0.194 51.884 52.037 0.068 0.000 0.807 528 A CB 0.160 19.275 19.000 0.191 0.000 1.047 528 A HN 0.361 nan 8.150 nan 0.000 0.487 529 D N 0.886 121.368 120.400 0.137 0.000 2.483 529 D HA 0.379 5.019 4.640 0.001 0.000 0.220 529 D C -0.589 175.929 176.300 0.363 0.000 1.173 529 D CA 0.306 54.441 54.000 0.226 0.000 0.964 529 D CB -0.079 40.884 40.800 0.270 0.000 1.046 529 D HN 0.452 nan 8.370 nan 0.000 0.517 530 V N 0.639 120.680 119.914 0.210 0.000 2.612 530 V HA 0.442 4.563 4.120 0.001 0.000 0.301 530 V C -0.192 175.928 176.094 0.043 0.000 1.059 530 V CA -1.048 61.344 62.300 0.153 0.000 0.886 530 V CB 1.815 33.670 31.823 0.053 0.000 1.007 530 V HN 0.156 nan 8.190 nan 0.000 0.426 531 K N 5.174 125.584 120.400 0.016 0.000 2.997 531 K HA 0.542 4.862 4.320 0.001 0.000 0.249 531 K C -0.535 176.040 176.600 -0.042 0.000 1.284 531 K CA -0.145 56.134 56.287 -0.013 0.000 1.245 531 K CB 0.075 32.566 32.500 -0.014 0.000 1.670 531 K HN 0.874 nan 8.250 nan 0.000 0.385 532 I N -2.589 117.944 120.570 -0.061 0.000 2.689 532 I HA 0.396 4.566 4.170 0.001 0.000 0.299 532 I C -0.401 175.664 176.117 -0.086 0.000 1.059 532 I CA -0.924 60.325 61.300 -0.083 0.000 1.055 532 I CB 1.554 39.480 38.000 -0.123 0.000 1.243 532 I HN 0.028 nan 8.210 nan 0.000 0.425 533 D N 5.780 126.137 120.400 -0.072 0.000 2.549 533 D HA 0.367 5.008 4.640 0.001 0.000 0.270 533 D C -0.969 175.280 176.300 -0.085 0.000 1.181 533 D CA -0.414 53.541 54.000 -0.073 0.000 1.070 533 D CB 1.374 42.154 40.800 -0.033 0.000 1.154 533 D HN 0.470 nan 8.370 nan 0.000 0.602 534 L N 0.944 122.122 121.223 -0.076 0.000 2.324 534 L HA 0.369 4.709 4.340 0.001 0.000 0.274 534 L C 0.784 177.735 176.870 0.135 0.000 1.012 534 L CA -0.569 54.257 54.840 -0.024 0.000 0.859 534 L CB 0.611 42.527 42.059 -0.238 0.000 1.224 534 L HN 0.668 nan 8.230 nan 0.000 0.429 535 G N 2.795 111.644 108.800 0.080 0.000 2.661 535 G HA2 0.248 4.208 3.960 0.001 0.000 0.292 535 G HA3 0.248 4.208 3.960 0.001 0.000 0.292 535 G C 0.122 175.073 174.900 0.085 0.000 0.781 535 G CA 0.210 45.353 45.100 0.071 0.000 1.860 535 G HN 0.758 nan 8.290 nan 0.000 0.512 536 E N 0.556 120.817 120.200 0.103 0.000 7.553 536 E HA -0.138 4.212 4.350 0.001 0.000 0.436 536 E C -2.500 174.125 176.600 0.042 0.000 0.418 536 E CA -0.304 56.122 56.400 0.043 0.000 0.779 536 E CB -0.297 29.410 29.700 0.012 0.000 0.959 536 E HN 0.471 nan 8.360 nan 0.000 0.263 537 P HA -0.008 nan 4.420 nan 0.000 0.272 537 P C 0.341 177.576 177.300 -0.109 0.000 1.223 537 P CA 0.425 63.309 63.100 -0.361 0.000 0.784 537 P CB 0.907 32.095 31.700 -0.854 0.000 0.923 538 A N 3.486 126.294 122.820 -0.019 0.000 1.940 538 A HA -0.092 4.228 4.320 0.001 0.000 0.219 538 A C 1.286 178.863 177.584 -0.011 0.000 1.176 538 A CA 1.188 53.228 52.037 0.006 0.000 0.631 538 A CB -0.857 18.165 19.000 0.036 0.000 0.814 538 A HN 0.572 nan 8.150 nan 0.000 0.446 539 I N 0.597 121.156 120.570 -0.018 0.000 2.321 539 I HA 0.168 4.338 4.170 0.001 0.000 0.291 539 I C 0.478 176.580 176.117 -0.025 0.000 0.998 539 I CA -0.626 60.677 61.300 0.004 0.000 1.227 539 I CB 1.665 39.702 38.000 0.061 0.000 1.368 539 I HN 0.075 nan 8.210 nan 0.000 0.466 540 L N 4.970 126.181 121.223 -0.020 0.000 2.349 540 L HA 0.248 4.589 4.340 0.001 0.000 0.200 540 L C 2.166 179.028 176.870 -0.013 0.000 1.064 540 L CA 1.365 56.184 54.840 -0.035 0.000 0.821 540 L CB -1.536 40.505 42.059 -0.031 0.000 1.027 540 L HN 0.704 nan 8.230 nan 0.000 0.476 541 A N 1.458 124.282 122.820 0.006 0.000 1.839 541 A HA -0.040 4.280 4.320 0.001 0.000 0.213 541 A C -0.007 177.591 177.584 0.024 0.000 1.274 541 A CA 1.428 53.471 52.037 0.009 0.000 0.608 541 A CB -2.101 16.903 19.000 0.008 0.000 0.920 541 A HN 0.327 nan 8.150 nan 0.000 0.465 542 P HA -0.107 nan 4.420 nan 0.000 0.215 542 P C 0.483 177.826 177.300 0.072 0.000 1.157 542 P CA 1.262 64.396 63.100 0.056 0.000 0.874 542 P CB 0.047 31.788 31.700 0.068 0.000 0.790 543 R N -1.341 119.232 120.500 0.122 0.000 2.855 543 R HA 0.353 4.694 4.340 0.001 0.000 0.266 543 R C -0.430 175.859 176.300 -0.018 0.000 1.034 543 R CA -0.814 55.300 56.100 0.022 0.000 0.944 543 R CB 1.520 31.781 30.300 -0.064 0.000 1.219 543 R HN -0.079 nan 8.270 nan 0.000 0.474 544 E N 1.648 121.748 120.200 -0.166 0.000 2.003 544 E HA 0.113 4.463 4.350 0.001 0.000 0.279 544 E C -1.252 175.144 176.600 -0.339 0.000 1.132 544 E CA 0.193 56.463 56.400 -0.217 0.000 0.888 544 E CB 0.468 30.032 29.700 -0.227 0.000 1.056 544 E HN 0.246 nan 8.360 nan 0.000 0.399 545 Y N 1.836 122.014 120.300 -0.202 0.000 2.352 545 Y HA 0.250 4.800 4.550 0.000 0.000 0.339 545 Y C -0.437 175.340 175.900 -0.206 0.000 0.992 545 Y CA -0.711 57.304 58.100 -0.142 0.000 1.100 545 Y CB 0.979 39.411 38.460 -0.046 0.000 1.192 545 Y HN 0.407 nan 8.280 nan 0.000 0.458 546 Y N 1.114 121.516 120.300 0.169 0.000 2.335 546 Y HA 0.425 4.975 4.550 0.000 0.000 0.323 546 Y C 0.888 176.854 175.900 0.110 0.000 1.224 546 Y CA -0.678 57.483 58.100 0.102 0.000 1.241 546 Y CB 1.339 39.835 38.460 0.060 0.000 1.235 546 Y HN 0.569 nan 8.280 nan 0.000 0.492 547 T N -2.217 112.467 114.554 0.217 0.000 2.923 547 T HA 0.463 4.813 4.350 0.001 0.000 0.281 547 T C 1.182 175.910 174.700 0.048 0.000 0.995 547 T CA -0.327 61.837 62.100 0.107 0.000 0.985 547 T CB 1.387 70.284 68.868 0.049 0.000 1.114 547 T HN 0.743 nan 8.240 nan 0.000 0.548 548 G N 0.483 109.263 108.800 -0.034 0.000 2.424 548 G HA2 -0.098 3.863 3.960 0.001 0.000 0.214 548 G HA3 -0.098 3.863 3.960 0.001 0.000 0.214 548 G C 1.440 176.271 174.900 -0.115 0.000 1.202 548 G CA 0.181 45.201 45.100 -0.133 0.000 0.793 548 G HN 0.720 nan 8.290 nan 0.000 0.534 549 K N 0.386 120.725 120.400 -0.102 0.000 2.163 549 K HA -0.280 4.040 4.320 0.001 0.000 0.210 549 K C 2.353 178.914 176.600 -0.065 0.000 1.048 549 K CA 1.825 58.052 56.287 -0.100 0.000 0.928 549 K CB -0.457 32.009 32.500 -0.057 0.000 0.716 549 K HN 0.538 nan 8.250 nan 0.000 0.459 550 Q N 0.649 120.436 119.800 -0.021 0.000 1.994 550 Q HA -0.101 4.239 4.340 0.001 0.000 0.198 550 Q C 2.186 178.179 176.000 -0.013 0.000 0.976 550 Q CA 1.414 57.221 55.803 0.007 0.000 0.828 550 Q CB -0.036 28.742 28.738 0.067 0.000 0.894 550 Q HN 0.191 nan 8.270 nan 0.000 0.432 551 V N 0.085 119.984 119.914 -0.024 0.000 2.490 551 V HA -0.169 3.951 4.120 0.001 0.000 0.250 551 V C 2.037 178.160 176.094 0.048 0.000 1.061 551 V CA 1.684 63.963 62.300 -0.035 0.000 1.064 551 V CB -0.146 31.647 31.823 -0.050 0.000 0.670 551 V HN 0.310 nan 8.190 nan 0.000 0.461 552 V N 0.211 120.135 119.914 0.016 0.000 2.515 552 V HA -0.156 3.965 4.120 0.001 0.000 0.250 552 V C 2.716 178.875 176.094 0.109 0.000 1.058 552 V CA 2.245 64.569 62.300 0.039 0.000 1.064 552 V CB -0.343 31.369 31.823 -0.184 0.000 0.675 552 V HN 0.718 nan 8.190 nan 0.000 0.461 553 S N 0.090 115.811 115.700 0.034 0.000 2.515 553 S HA 0.011 4.481 4.470 0.001 0.000 0.231 553 S C 1.922 176.559 174.600 0.062 0.000 0.987 553 S CA 0.937 59.172 58.200 0.058 0.000 0.936 553 S CB -0.152 63.060 63.200 0.020 0.000 0.766 553 S HN 0.581 nan 8.310 nan 0.000 0.528 554 A N -0.161 122.663 122.820 0.006 0.000 2.168 554 A HA 0.248 4.569 4.320 0.001 0.000 0.215 554 A C 1.253 178.717 177.584 -0.200 0.000 1.152 554 A CA 0.553 52.503 52.037 -0.145 0.000 0.716 554 A CB -0.593 18.233 19.000 -0.291 0.000 0.794 554 A HN 0.636 nan 8.150 nan 0.000 0.465 555 F N -0.548 119.466 119.950 0.107 0.000 2.695 555 F HA 0.350 4.877 4.527 0.000 0.000 0.303 555 F C 0.446 176.403 175.800 0.261 0.000 1.091 555 F CA -0.062 58.092 58.000 0.256 0.000 1.300 555 F CB 0.257 39.334 39.000 0.128 0.000 1.071 555 F HN -0.038 nan 8.300 nan 0.000 0.578 556 L N 2.519 123.905 121.223 0.272 0.000 2.289 556 L HA 0.378 4.718 4.340 0.001 0.000 0.285 556 L C -2.351 174.528 176.870 0.014 0.000 1.049 556 L CA -1.993 52.955 54.840 0.180 0.000 0.804 556 L CB 1.093 43.304 42.059 0.253 0.000 1.195 556 L HN -0.249 nan 8.230 nan 0.000 0.428 557 P HA 0.110 nan 4.420 nan 0.000 0.276 557 P C -0.300 176.998 177.300 -0.004 0.000 1.235 557 P CA -0.483 62.437 63.100 -0.299 0.000 0.772 557 P CB 0.522 31.674 31.700 -0.914 0.000 0.871 558 K N 2.278 122.688 120.400 0.017 0.000 2.591 558 K HA -0.017 4.303 4.320 0.001 0.000 0.197 558 K C 0.418 177.094 176.600 0.127 0.000 1.026 558 K CA 0.668 56.996 56.287 0.069 0.000 1.127 558 K CB -0.345 32.172 32.500 0.028 0.000 0.871 558 K HN 0.602 nan 8.250 nan 0.000 0.507 559 D N -1.559 118.970 120.400 0.215 0.000 2.527 559 D HA -0.029 4.611 4.640 0.001 0.000 0.224 559 D C -0.155 176.358 176.300 0.354 0.000 1.217 559 D CA -0.554 53.600 54.000 0.257 0.000 0.819 559 D CB -0.287 40.663 40.800 0.250 0.000 1.061 559 D HN -0.097 nan 8.370 nan 0.000 0.515 560 F N 2.684 122.759 119.950 0.209 0.000 2.438 560 F HA 0.365 4.892 4.527 0.001 0.000 0.356 560 F C -0.251 175.663 175.800 0.189 0.000 1.099 560 F CA -0.745 57.406 58.000 0.252 0.000 1.185 560 F CB 0.566 39.736 39.000 0.282 0.000 1.115 560 F HN -0.209 nan 8.300 nan 0.000 0.526 561 N N 6.591 125.119 118.700 -0.286 0.000 2.258 561 N HA 0.425 5.165 4.740 0.001 0.000 0.299 561 N C -1.850 173.494 175.510 -0.275 0.000 1.047 561 N CA -0.355 52.554 53.050 -0.235 0.000 0.814 561 N CB 2.374 40.846 38.487 -0.024 0.000 1.413 561 N HN 0.531 nan 8.380 nan 0.000 0.478 562 F N 1.515 121.234 119.950 -0.384 0.000 2.615 562 F HA 0.398 4.925 4.527 0.001 0.000 0.312 562 F C -1.340 174.286 175.800 -0.290 0.000 1.119 562 F CA -0.420 57.445 58.000 -0.225 0.000 0.979 562 F CB 1.396 40.247 39.000 -0.250 0.000 1.266 562 F HN 0.391 nan 8.300 nan 0.000 0.444 563 H N 3.107 121.715 119.070 -0.770 0.000 2.717 563 H HA 0.797 5.353 4.556 0.001 0.000 0.366 563 H C -0.234 174.385 175.328 -1.182 0.000 1.132 563 H CA -0.802 54.804 56.048 -0.737 0.000 1.180 563 H CB 1.987 31.731 29.762 -0.031 0.000 1.678 563 H HN 1.004 nan 8.280 nan 0.000 0.537 564 G N 1.295 109.410 108.800 -1.142 0.000 2.328 564 G HA2 0.037 3.997 3.960 0.001 0.000 0.299 564 G HA3 0.037 3.997 3.960 0.001 0.000 0.299 564 G C -1.663 172.977 174.900 -0.434 0.000 1.435 564 G CA -1.023 43.690 45.100 -0.646 0.000 0.865 564 G HN 0.464 nan 8.290 nan 0.000 0.601 565 Q N -0.094 119.729 119.800 0.039 0.000 2.288 565 Q HA 0.580 4.920 4.340 0.001 0.000 0.254 565 Q C 0.658 176.751 176.000 0.155 0.000 0.932 565 Q CA 0.011 55.920 55.803 0.176 0.000 0.902 565 Q CB 1.716 30.577 28.738 0.205 0.000 1.203 565 Q HN 0.945 nan 8.270 nan 0.000 0.415 566 A N 2.251 125.171 122.820 0.165 0.000 2.313 566 A HA 0.029 4.349 4.320 0.001 0.000 0.261 566 A C 0.921 178.573 177.584 0.113 0.000 1.090 566 A CA -0.303 51.828 52.037 0.156 0.000 0.807 566 A CB 0.254 19.366 19.000 0.187 0.000 1.055 566 A HN 1.013 nan 8.150 nan 0.000 0.492 567 N N -0.149 118.598 118.700 0.078 0.000 2.348 567 N HA -0.153 4.588 4.740 0.001 0.000 0.185 567 N C 1.253 176.777 175.510 0.024 0.000 1.019 567 N CA 1.645 54.718 53.050 0.039 0.000 0.880 567 N CB -0.071 38.420 38.487 0.007 0.000 0.965 567 N HN 0.418 nan 8.380 nan 0.000 0.437 568 V N -0.102 119.839 119.914 0.044 0.000 2.809 568 V HA -0.057 4.064 4.120 0.001 0.000 0.256 568 V C 1.337 177.455 176.094 0.040 0.000 1.080 568 V CA 0.707 63.023 62.300 0.026 0.000 1.102 568 V CB -0.438 31.432 31.823 0.079 0.000 0.705 568 V HN 0.192 nan 8.190 nan 0.000 0.475 569 S N 1.797 117.538 115.700 0.067 0.000 3.024 569 S HA 0.298 4.769 4.470 0.001 0.000 0.316 569 S C 0.222 174.839 174.600 0.027 0.000 1.197 569 S CA 0.067 58.301 58.200 0.056 0.000 1.097 569 S CB -0.806 62.459 63.200 0.109 0.000 1.471 569 S HN 0.750 nan 8.310 nan 0.000 0.543 570 S N 2.773 118.473 115.700 -0.001 0.000 2.607 570 S HA 0.835 5.305 4.470 0.001 0.000 0.273 570 S C 0.909 175.501 174.600 -0.013 0.000 1.148 570 S CA -0.498 57.700 58.200 -0.003 0.000 0.833 570 S CB 0.740 63.938 63.200 -0.004 0.000 1.130 570 S HN 1.091 nan 8.310 nan 0.000 0.470 571 G N 2.116 110.916 108.800 -0.000 0.000 2.686 571 G HA2 -0.299 3.661 3.960 0.001 0.000 0.359 571 G HA3 -0.299 3.661 3.960 0.001 0.000 0.359 571 G C -1.376 173.517 174.900 -0.012 0.000 1.222 571 G CA 1.174 46.279 45.100 0.008 0.000 0.956 571 G HN 0.714 nan 8.290 nan 0.000 0.565 572 P HA 0.018 nan 4.420 nan 0.000 0.220 572 P C 1.623 178.815 177.300 -0.181 0.000 1.148 572 P CA 1.710 64.805 63.100 -0.008 0.000 0.803 572 P CB -0.115 31.624 31.700 0.064 0.000 0.782 573 R N -1.366 118.985 120.500 -0.248 0.000 2.393 573 R HA 0.260 4.601 4.340 0.001 0.000 0.244 573 R C 0.687 176.784 176.300 -0.338 0.000 0.920 573 R CA -0.366 55.389 56.100 -0.575 0.000 1.076 573 R CB -0.400 29.770 30.300 -0.218 0.000 1.119 573 R HN 0.189 nan 8.270 nan 0.000 0.524 574 L N 0.397 121.519 121.223 -0.168 0.000 2.540 574 L HA -0.133 4.207 4.340 0.001 0.000 0.276 574 L C 0.415 177.262 176.870 -0.038 0.000 1.212 574 L CA 0.069 54.875 54.840 -0.057 0.000 0.893 574 L CB 0.670 42.713 42.059 -0.027 0.000 1.138 574 L HN 0.315 nan 8.230 nan 0.000 0.491 575 c N 2.210 120.825 118.600 0.025 0.000 2.617 575 c HA 0.173 4.744 4.570 0.001 0.000 0.297 575 c C 1.704 175.755 174.090 -0.065 0.000 1.689 575 c CA -0.154 56.190 56.329 0.025 0.000 2.073 575 c CB -0.188 42.396 42.510 0.123 0.000 1.751 575 c HN 1.083 nan 8.230 nan 0.000 0.731 576 K N 0.150 120.512 120.400 -0.063 0.000 3.548 576 K HA -0.219 4.102 4.320 0.001 0.000 0.310 576 K C -0.020 176.239 176.600 -0.569 0.000 1.282 576 K CA 1.367 57.548 56.287 -0.177 0.000 1.008 576 K CB -0.954 31.504 32.500 -0.071 0.000 1.265 576 K HN 0.696 nan 8.250 nan 0.000 0.430 577 N N -0.573 117.702 118.700 -0.708 0.000 2.357 577 N HA 0.139 4.879 4.740 0.001 0.000 0.284 577 N C -0.238 174.930 175.510 -0.571 0.000 1.236 577 N CA -0.304 52.383 53.050 -0.605 0.000 0.774 577 N CB 1.642 39.985 38.487 -0.240 0.000 1.534 577 N HN 0.033 nan 8.380 nan 0.000 0.478 578 E N -0.253 119.784 120.200 -0.271 0.000 2.274 578 E HA -0.074 4.276 4.350 0.001 0.000 0.194 578 E C -0.403 176.229 176.600 0.052 0.000 0.996 578 E CA 0.667 57.093 56.400 0.044 0.000 0.840 578 E CB 0.215 29.994 29.700 0.132 0.000 0.772 578 E HN 0.362 nan 8.360 nan 0.000 0.491 579 D N 0.608 121.007 120.400 -0.002 0.000 2.441 579 D HA 0.072 4.713 4.640 0.001 0.000 0.221 579 D C -1.578 174.743 176.300 0.035 0.000 1.156 579 D CA -0.084 53.929 54.000 0.021 0.000 0.896 579 D CB 0.448 41.252 40.800 0.007 0.000 1.028 579 D HN 0.005 nan 8.370 nan 0.000 0.509 580 c N 6.268 124.915 118.600 0.079 0.000 2.522 580 c HA 0.373 4.944 4.570 0.001 0.000 0.344 580 c C -1.627 172.551 174.090 0.146 0.000 1.104 580 c CA -1.532 54.878 56.329 0.135 0.000 1.317 580 c CB 1.209 43.818 42.510 0.166 0.000 1.896 580 c HN 0.464 nan 8.230 nan 0.000 0.443 581 P HA -0.056 nan 4.420 nan 0.000 0.221 581 P C -0.057 177.164 177.300 -0.132 0.000 1.145 581 P CA 1.364 64.427 63.100 -0.062 0.000 0.795 581 P CB -0.083 31.503 31.700 -0.190 0.000 0.775 582 H N -1.129 118.002 119.070 0.101 0.000 2.479 582 H HA 0.187 4.743 4.556 0.001 0.000 0.335 582 H C -0.258 175.152 175.328 0.137 0.000 1.142 582 H CA -0.809 55.319 56.048 0.133 0.000 1.234 582 H CB 0.935 30.786 29.762 0.148 0.000 1.503 582 H HN -0.175 nan 8.280 nan 0.000 0.510 583 D N 1.403 121.957 120.400 0.257 0.000 2.885 583 D HA -0.011 4.630 4.640 0.001 0.000 0.234 583 D C 0.635 177.065 176.300 0.217 0.000 1.129 583 D CA 0.386 54.500 54.000 0.190 0.000 0.991 583 D CB -0.195 40.679 40.800 0.123 0.000 1.137 583 D HN 0.451 nan 8.370 nan 0.000 0.459 584 S N 0.900 116.748 115.700 0.246 0.000 2.787 584 S HA 0.069 4.540 4.470 0.001 0.000 0.255 584 S C -0.523 174.246 174.600 0.282 0.000 1.051 584 S CA -0.543 57.805 58.200 0.246 0.000 1.124 584 S CB 0.006 63.335 63.200 0.215 0.000 1.104 584 S HN 0.341 nan 8.310 nan 0.000 0.623 585 Y N 2.757 123.139 120.300 0.138 0.000 2.686 585 Y HA 0.517 5.067 4.550 0.001 0.000 0.331 585 Y C -0.510 175.469 175.900 0.131 0.000 0.996 585 Y CA -1.010 57.163 58.100 0.123 0.000 1.293 585 Y CB 0.534 39.055 38.460 0.101 0.000 1.092 585 Y HN -0.065 nan 8.280 nan 0.000 0.524 586 V N 6.149 126.008 119.914 -0.091 0.000 2.475 586 V HA 0.053 4.173 4.120 0.001 0.000 0.292 586 V C -0.007 175.985 176.094 -0.170 0.000 1.003 586 V CA 0.021 62.339 62.300 0.031 0.000 1.120 586 V CB -0.127 31.886 31.823 0.316 0.000 0.937 586 V HN 0.471 nan 8.190 nan 0.000 0.476 587 V N 7.266 127.132 119.914 -0.080 0.000 2.409 587 V HA 0.498 4.619 4.120 0.001 0.000 0.290 587 V C -0.278 175.743 176.094 -0.121 0.000 1.017 587 V CA -0.302 61.853 62.300 -0.242 0.000 0.841 587 V CB 1.527 33.271 31.823 -0.132 0.000 1.003 587 V HN 0.711 nan 8.190 nan 0.000 0.426 588 I N 5.127 125.625 120.570 -0.120 0.000 2.406 588 I HA 0.513 4.683 4.170 0.001 0.000 0.290 588 I C -0.033 176.006 176.117 -0.129 0.000 0.999 588 I CA -0.268 61.010 61.300 -0.037 0.000 1.124 588 I CB 1.697 39.766 38.000 0.114 0.000 1.289 588 I HN 0.445 nan 8.210 nan 0.000 0.441 589 K N 4.659 124.999 120.400 -0.100 0.000 2.316 589 K HA 0.437 4.758 4.320 0.001 0.000 0.251 589 K C -0.163 176.392 176.600 -0.074 0.000 0.934 589 K CA -0.899 55.315 56.287 -0.121 0.000 0.802 589 K CB 1.350 33.743 32.500 -0.177 0.000 1.171 589 K HN 0.460 nan 8.250 nan 0.000 0.426 590 N N 1.064 119.728 118.700 -0.059 0.000 2.686 590 N HA -0.225 4.516 4.740 0.001 0.000 0.249 590 N C 0.458 176.007 175.510 0.065 0.000 1.082 590 N CA 1.572 54.622 53.050 -0.001 0.000 0.725 590 N CB -1.295 37.133 38.487 -0.098 0.000 1.009 590 N HN 1.073 nan 8.380 nan 0.000 0.545 591 G N -1.936 106.948 108.800 0.139 0.000 2.137 591 G HA2 -0.263 3.697 3.960 0.001 0.000 0.237 591 G HA3 -0.263 3.697 3.960 0.001 0.000 0.237 591 G C -0.251 174.718 174.900 0.114 0.000 1.002 591 G CA 0.276 45.483 45.100 0.179 0.000 0.702 591 G HN 0.410 nan 8.290 nan 0.000 0.515 592 I N 0.243 120.855 120.570 0.069 0.000 2.465 592 I HA 0.421 4.591 4.170 0.001 0.000 0.291 592 I C 0.393 176.526 176.117 0.027 0.000 1.014 592 I CA -1.473 59.847 61.300 0.033 0.000 1.093 592 I CB 1.693 39.691 38.000 -0.003 0.000 1.267 592 I HN 0.043 nan 8.210 nan 0.000 0.431 593 L N 6.242 127.476 121.223 0.017 0.000 2.312 593 L HA 0.165 4.505 4.340 0.001 0.000 0.287 593 L C 0.690 177.555 176.870 -0.007 0.000 1.091 593 L CA -0.229 54.610 54.840 -0.001 0.000 0.846 593 L CB 0.488 42.508 42.059 -0.064 0.000 1.219 593 L HN 0.480 nan 8.230 nan 0.000 0.439 594 L N 2.894 124.116 121.223 -0.003 0.000 2.253 594 L HA 0.306 4.647 4.340 0.001 0.000 0.205 594 L C 0.816 177.698 176.870 0.020 0.000 1.078 594 L CA 1.028 55.868 54.840 0.001 0.000 0.805 594 L CB -0.562 41.492 42.059 -0.008 0.000 0.963 594 L HN 0.564 nan 8.230 nan 0.000 0.459 595 E N -1.706 118.514 120.200 0.034 0.000 2.408 595 E HA 0.512 4.862 4.350 0.001 0.000 0.275 595 E C -0.465 176.187 176.600 0.088 0.000 0.935 595 E CA -0.050 56.391 56.400 0.068 0.000 0.775 595 E CB 2.967 32.730 29.700 0.105 0.000 1.277 595 E HN 0.101 nan 8.360 nan 0.000 0.455 596 G N -0.190 108.679 108.800 0.115 0.000 2.728 596 G HA2 -0.110 3.851 3.960 0.001 0.000 0.294 596 G HA3 -0.110 3.851 3.960 0.001 0.000 0.294 596 G C -1.326 173.658 174.900 0.139 0.000 1.342 596 G CA -0.344 44.847 45.100 0.152 0.000 0.866 596 G HN 0.518 nan 8.290 nan 0.000 0.534 597 V N -0.204 119.835 119.914 0.208 0.000 3.040 597 V HA 0.841 4.961 4.120 0.001 0.000 0.312 597 V C -0.545 175.806 176.094 0.428 0.000 1.115 597 V CA -1.136 61.291 62.300 0.210 0.000 0.998 597 V CB 2.005 33.931 31.823 0.172 0.000 1.042 597 V HN 0.868 nan 8.190 nan 0.000 0.433 598 F N 3.980 123.956 119.950 0.042 0.000 2.420 598 F HA 0.592 5.119 4.527 0.001 0.000 0.342 598 F C 0.130 175.933 175.800 0.006 0.000 1.113 598 F CA -0.315 57.684 58.000 -0.002 0.000 1.059 598 F CB 1.680 40.620 39.000 -0.101 0.000 1.128 598 F HN 0.830 nan 8.300 nan 0.000 0.475 599 D N 1.566 122.002 120.400 0.061 0.000 3.376 599 D HA 0.129 4.769 4.640 0.001 0.000 0.344 599 D C -1.191 175.079 176.300 -0.050 0.000 1.428 599 D CA -0.858 53.157 54.000 0.024 0.000 0.949 599 D CB 0.525 41.370 40.800 0.074 0.000 1.451 599 D HN 0.233 nan 8.370 nan 0.000 0.578 600 K N -0.021 120.360 120.400 -0.032 0.000 2.336 600 K HA 0.026 4.346 4.320 0.001 0.000 0.262 600 K C 0.247 176.833 176.600 -0.024 0.000 0.992 600 K CA 0.069 56.336 56.287 -0.033 0.000 0.927 600 K CB 0.315 32.801 32.500 -0.023 0.000 0.956 600 K HN 0.495 nan 8.250 nan 0.000 0.495 601 K N -1.142 119.246 120.400 -0.019 0.000 3.467 601 K HA -0.278 4.042 4.320 0.001 0.000 0.375 601 K C 1.098 177.670 176.600 -0.048 0.000 0.589 601 K CA 1.788 58.082 56.287 0.010 0.000 1.651 601 K CB -1.553 30.981 32.500 0.057 0.000 1.135 601 K HN 0.719 nan 8.250 nan 0.000 0.459 602 A N 0.545 123.282 122.820 -0.138 0.000 1.901 602 A HA 0.330 4.650 4.320 0.001 0.000 0.210 602 A C 1.377 178.710 177.584 -0.419 0.000 1.208 602 A CA 0.999 52.806 52.037 -0.382 0.000 0.644 602 A CB 0.191 18.863 19.000 -0.547 0.000 0.863 602 A HN 0.292 nan 8.150 nan 0.000 0.454 603 I N -3.598 116.814 120.570 -0.263 0.000 3.516 603 I HA 0.706 4.877 4.170 0.001 0.000 0.297 603 I C 0.460 176.538 176.117 -0.064 0.000 1.139 603 I CA -0.804 60.430 61.300 -0.110 0.000 1.020 603 I CB 1.097 39.119 38.000 0.035 0.000 1.341 603 I HN 0.493 nan 8.210 nan 0.000 0.490 604 G N 2.553 111.326 108.800 -0.045 0.000 3.039 604 G HA2 -0.123 3.838 3.960 0.001 0.000 0.686 604 G HA3 -0.123 3.838 3.960 0.001 0.000 0.686 604 G C -0.654 174.204 174.900 -0.069 0.000 1.066 604 G CA -0.463 44.604 45.100 -0.055 0.000 0.774 604 G HN 1.050 nan 8.290 nan 0.000 0.591 605 N N 1.728 120.381 118.700 -0.079 0.000 2.235 605 N HA 0.159 4.900 4.740 0.001 0.000 0.231 605 N C 0.785 176.277 175.510 -0.030 0.000 1.330 605 N CA 0.741 53.745 53.050 -0.077 0.000 0.898 605 N CB 0.212 38.653 38.487 -0.078 0.000 1.151 605 N HN 1.150 nan 8.380 nan 0.000 0.472 606 Q N -1.162 118.642 119.800 0.006 0.000 2.411 606 Q HA -0.206 4.134 4.340 0.001 0.000 0.305 606 Q C -1.067 174.972 176.000 0.065 0.000 1.273 606 Q CA 1.076 56.934 55.803 0.093 0.000 0.895 606 Q CB -0.879 27.893 28.738 0.057 0.000 1.198 606 Q HN 0.662 nan 8.270 nan 0.000 0.470 607 Q N 0.204 120.024 119.800 0.033 0.000 3.064 607 Q HA 0.385 4.726 4.340 0.001 0.000 0.258 607 Q C -2.399 173.620 176.000 0.032 0.000 0.972 607 Q CA -1.490 54.332 55.803 0.031 0.000 0.761 607 Q CB 1.644 30.380 28.738 -0.003 0.000 1.281 607 Q HN 0.186 nan 8.270 nan 0.000 0.455 608 P HA 0.028 nan 4.420 nan 0.000 0.271 608 P C -0.141 177.266 177.300 0.178 0.000 1.233 608 P CA 0.151 63.339 63.100 0.146 0.000 0.789 608 P CB 0.579 32.466 31.700 0.312 0.000 0.951 609 E N -2.449 117.822 120.200 0.118 0.000 3.065 609 E HA -0.210 4.140 4.350 0.001 0.000 0.277 609 E C 0.143 176.865 176.600 0.204 0.000 1.008 609 E CA 0.643 57.077 56.400 0.057 0.000 0.864 609 E CB -1.757 28.152 29.700 0.348 0.000 1.439 609 E HN 0.603 nan 8.360 nan 0.000 0.445 610 S N -0.343 115.373 115.700 0.027 0.000 2.655 610 S HA 0.406 4.876 4.470 0.001 0.000 0.265 610 S C 1.234 175.801 174.600 -0.055 0.000 1.240 610 S CA -0.288 57.913 58.200 0.001 0.000 0.986 610 S CB 1.026 64.197 63.200 -0.049 0.000 0.985 610 S HN 0.205 nan 8.310 nan 0.000 0.562 611 I N 0.512 120.895 120.570 -0.310 0.000 2.264 611 I HA -0.127 4.043 4.170 0.001 0.000 0.248 611 I C 2.342 178.514 176.117 0.091 0.000 1.111 611 I CA 1.062 62.232 61.300 -0.216 0.000 1.382 611 I CB -0.536 37.242 38.000 -0.369 0.000 1.060 611 I HN 0.602 nan 8.210 nan 0.000 0.418 612 L N 0.327 121.544 121.223 -0.009 0.000 2.027 612 L HA -0.234 4.106 4.340 0.001 0.000 0.206 612 L C 2.583 179.505 176.870 0.085 0.000 1.074 612 L CA 1.916 56.792 54.840 0.059 0.000 0.745 612 L CB -0.844 41.228 42.059 0.022 0.000 0.898 612 L HN 0.260 nan 8.230 nan 0.000 0.433 613 H N -1.540 117.441 119.070 -0.148 0.000 2.251 613 H HA -0.293 4.263 4.556 0.001 0.000 0.294 613 H C 1.984 177.207 175.328 -0.175 0.000 1.078 613 H CA 2.380 58.256 56.048 -0.287 0.000 1.246 613 H CB -0.404 29.013 29.762 -0.574 0.000 1.358 613 H HN 0.503 nan 8.280 nan 0.000 0.488 614 W N 0.783 122.194 121.300 0.186 0.000 2.350 614 W HA -0.132 4.529 4.660 0.001 0.000 0.289 614 W C 2.535 179.176 176.519 0.204 0.000 1.215 614 W CA 0.317 57.767 57.345 0.174 0.000 1.236 614 W CB -0.287 29.355 29.460 0.304 0.000 1.130 614 W HN 0.225 nan 8.180 nan 0.000 0.541 615 L N -0.078 121.349 121.223 0.341 0.000 2.265 615 L HA -0.201 4.139 4.340 0.001 0.000 0.215 615 L C 1.831 178.948 176.870 0.411 0.000 1.117 615 L CA 1.211 56.200 54.840 0.249 0.000 0.782 615 L CB -0.413 41.739 42.059 0.154 0.000 0.914 615 L HN 0.131 nan 8.230 nan 0.000 0.441 616 I N -1.800 118.942 120.570 0.286 0.000 3.172 616 I HA -0.113 4.058 4.170 0.001 0.000 0.278 616 I C 2.315 178.570 176.117 0.229 0.000 1.174 616 I CA 0.331 61.775 61.300 0.239 0.000 1.445 616 I CB -0.152 37.916 38.000 0.113 0.000 1.175 616 I HN 0.027 nan 8.210 nan 0.000 0.447 617 K N 1.926 122.469 120.400 0.237 0.000 2.366 617 K HA -0.084 4.237 4.320 0.001 0.000 0.198 617 K C 0.812 177.525 176.600 0.187 0.000 1.044 617 K CA 1.003 57.414 56.287 0.206 0.000 0.973 617 K CB 0.296 32.889 32.500 0.155 0.000 0.767 617 K HN 0.483 nan 8.250 nan 0.000 0.475 618 E N -1.410 118.892 120.200 0.170 0.000 2.995 618 E HA 0.105 4.455 4.350 0.001 0.000 0.203 618 E C -0.984 175.344 176.600 -0.454 0.000 0.980 618 E CA -0.506 55.860 56.400 -0.057 0.000 1.172 618 E CB 0.200 29.886 29.700 -0.024 0.000 1.088 618 E HN 0.042 nan 8.360 nan 0.000 0.463 619 Y N 0.280 120.665 120.300 0.143 0.000 2.655 619 Y HA 0.273 4.823 4.550 0.001 0.000 0.336 619 Y C 0.419 176.418 175.900 0.164 0.000 1.154 619 Y CA -1.141 57.026 58.100 0.112 0.000 1.055 619 Y CB 1.696 40.189 38.460 0.055 0.000 1.295 619 Y HN 0.117 nan 8.280 nan 0.000 0.465 620 S N -0.409 115.492 115.700 0.335 0.000 2.569 620 S HA -0.051 4.419 4.470 0.001 0.000 0.274 620 S C 0.393 175.161 174.600 0.279 0.000 1.353 620 S CA -0.110 58.234 58.200 0.240 0.000 1.023 620 S CB 0.641 63.947 63.200 0.177 0.000 0.876 620 S HN 0.767 nan 8.310 nan 0.000 0.540 621 D N 0.302 120.823 120.400 0.201 0.000 2.269 621 D HA -0.008 4.633 4.640 0.001 0.000 0.208 621 D C 1.639 178.101 176.300 0.270 0.000 0.963 621 D CA 0.716 54.837 54.000 0.202 0.000 0.864 621 D CB -0.011 40.871 40.800 0.137 0.000 0.936 621 D HN 0.575 nan 8.370 nan 0.000 0.505 622 E N -0.834 119.504 120.200 0.231 0.000 2.216 622 E HA -0.128 4.223 4.350 0.001 0.000 0.192 622 E C 1.728 178.471 176.600 0.239 0.000 0.988 622 E CA 0.368 56.884 56.400 0.194 0.000 0.834 622 E CB -0.327 29.447 29.700 0.124 0.000 0.772 622 E HN 0.516 nan 8.360 nan 0.000 0.479 623 Y N 0.681 121.073 120.300 0.153 0.000 2.269 623 Y HA 0.093 4.643 4.550 0.001 0.000 0.294 623 Y C 2.167 178.251 175.900 0.306 0.000 1.120 623 Y CA 1.494 59.720 58.100 0.210 0.000 1.159 623 Y CB -0.563 37.957 38.460 0.101 0.000 1.024 623 Y HN -0.014 nan 8.280 nan 0.000 0.532 624 G N 1.425 110.263 108.800 0.063 0.000 2.599 624 G HA2 -0.444 3.517 3.960 0.001 0.000 0.219 624 G HA3 -0.444 3.517 3.960 0.001 0.000 0.219 624 G C 1.746 176.620 174.900 -0.043 0.000 1.193 624 G CA 1.462 46.535 45.100 -0.044 0.000 0.778 624 G HN 0.460 nan 8.290 nan 0.000 0.589 625 K N -0.693 119.762 120.400 0.091 0.000 2.032 625 K HA -0.195 4.125 4.320 0.001 0.000 0.209 625 K C 2.199 178.815 176.600 0.026 0.000 1.048 625 K CA 1.614 57.930 56.287 0.048 0.000 0.927 625 K CB -0.375 32.114 32.500 -0.019 0.000 0.712 625 K HN 0.487 nan 8.250 nan 0.000 0.441 626 W N 1.564 122.807 121.300 -0.095 0.000 2.332 626 W HA -0.279 4.382 4.660 0.001 0.000 0.321 626 W C 1.901 178.370 176.519 -0.083 0.000 1.219 626 W CA 1.735 59.044 57.345 -0.060 0.000 1.277 626 W CB -0.751 28.713 29.460 0.008 0.000 1.161 626 W HN 0.174 nan 8.180 nan 0.000 0.476 627 L N 0.963 122.100 121.223 -0.144 0.000 1.963 627 L HA -0.353 3.987 4.340 0.001 0.000 0.220 627 L C 2.543 179.273 176.870 -0.233 0.000 1.076 627 L CA 2.925 57.536 54.840 -0.383 0.000 0.772 627 L CB -1.098 40.733 42.059 -0.381 0.000 0.892 627 L HN 0.068 nan 8.230 nan 0.000 0.435 628 M N -0.793 118.734 119.600 -0.122 0.000 2.108 628 M HA -0.269 4.211 4.480 0.001 0.000 0.257 628 M C 1.906 178.136 176.300 -0.116 0.000 1.071 628 M CA 1.917 57.122 55.300 -0.158 0.000 1.093 628 M CB -1.441 31.001 32.600 -0.264 0.000 1.345 628 M HN 0.364 nan 8.290 nan 0.000 0.403 629 D N -0.275 120.014 120.400 -0.186 0.000 2.269 629 D HA -0.042 4.598 4.640 0.001 0.000 0.208 629 D C 1.709 177.885 176.300 -0.206 0.000 0.963 629 D CA 0.761 54.661 54.000 -0.166 0.000 0.864 629 D CB -0.061 40.652 40.800 -0.146 0.000 0.936 629 D HN 0.387 nan 8.370 nan 0.000 0.505 630 N N -0.137 118.318 118.700 -0.407 0.000 2.638 630 N HA 0.003 4.743 4.740 0.001 0.000 0.220 630 N C 1.773 176.906 175.510 -0.628 0.000 1.031 630 N CA -0.098 52.662 53.050 -0.482 0.000 1.062 630 N CB -0.393 37.673 38.487 -0.701 0.000 1.406 630 N HN 0.010 nan 8.380 nan 0.000 0.495 631 L N 0.945 121.501 121.223 -1.112 0.000 2.151 631 L HA -0.115 4.225 4.340 0.001 0.000 0.215 631 L C 1.371 177.366 176.870 -1.458 0.000 1.084 631 L CA 1.708 55.496 54.840 -1.754 0.000 0.764 631 L CB -0.483 40.582 42.059 -1.656 0.000 0.891 631 L HN 0.093 nan 8.230 nan 0.000 0.435 632 F N -1.653 117.957 119.950 -0.565 0.000 2.698 632 F HA 0.129 4.657 4.527 0.000 0.000 0.295 632 F C 2.395 178.266 175.800 0.119 0.000 1.124 632 F CA 0.229 58.197 58.000 -0.053 0.000 1.426 632 F CB -0.175 38.856 39.000 0.051 0.000 1.120 632 F HN -0.106 nan 8.300 nan 0.000 0.583 633 R N -0.310 120.217 120.500 0.045 0.000 2.240 633 R HA 0.031 4.371 4.340 0.001 0.000 0.203 633 R C 1.862 178.137 176.300 -0.041 0.000 1.011 633 R CA 0.396 56.520 56.100 0.040 0.000 1.007 633 R CB -0.140 30.157 30.300 -0.006 0.000 0.911 633 R HN 0.137 nan 8.270 nan 0.000 0.468 634 V N -0.502 119.289 119.914 -0.204 0.000 2.599 634 V HA -0.068 4.053 4.120 0.001 0.000 0.245 634 V C 1.412 177.455 176.094 -0.085 0.000 1.046 634 V CA 1.225 63.410 62.300 -0.192 0.000 1.065 634 V CB -0.268 31.359 31.823 -0.327 0.000 0.703 634 V HN 0.265 nan 8.190 nan 0.000 0.464 635 F N -0.691 119.236 119.950 -0.038 0.000 2.202 635 F HA -0.205 4.322 4.527 0.000 0.000 0.301 635 F C 2.201 178.031 175.800 0.051 0.000 1.082 635 F CA 0.861 58.872 58.000 0.018 0.000 1.313 635 F CB -0.201 38.830 39.000 0.053 0.000 1.024 635 F HN 0.141 nan 8.300 nan 0.000 0.495 636 I N 0.228 120.887 120.570 0.149 0.000 2.141 636 I HA -0.200 3.970 4.170 0.001 0.000 0.236 636 I C 2.478 178.629 176.117 0.058 0.000 1.071 636 I CA 1.256 62.563 61.300 0.011 0.000 1.345 636 I CB -1.203 36.740 38.000 -0.094 0.000 1.066 636 I HN 0.024 nan 8.210 nan 0.000 0.406 637 R N 0.821 121.360 120.500 0.065 0.000 2.200 637 R HA -0.218 4.122 4.340 0.001 0.000 0.234 637 R C 2.204 178.568 176.300 0.106 0.000 1.127 637 R CA 1.294 57.432 56.100 0.063 0.000 0.989 637 R CB -0.874 29.458 30.300 0.053 0.000 0.869 637 R HN 0.252 nan 8.270 nan 0.000 0.459 638 F N -0.450 119.521 119.950 0.037 0.000 2.186 638 F HA -0.097 4.431 4.527 0.001 0.000 0.299 638 F C 1.677 177.519 175.800 0.069 0.000 1.090 638 F CA 1.347 59.383 58.000 0.060 0.000 1.307 638 F CB -0.158 38.891 39.000 0.083 0.000 1.019 638 F HN -0.122 nan 8.300 nan 0.000 0.489 639 V N 0.664 120.612 119.914 0.056 0.000 2.358 639 V HA -0.280 3.840 4.120 0.001 0.000 0.246 639 V C 2.086 178.143 176.094 -0.062 0.000 1.047 639 V CA 2.185 64.474 62.300 -0.018 0.000 1.035 639 V CB -0.918 30.931 31.823 0.042 0.000 0.658 639 V HN 0.335 nan 8.190 nan 0.000 0.452 640 E N -0.092 120.084 120.200 -0.039 0.000 2.267 640 E HA -0.219 4.131 4.350 0.001 0.000 0.197 640 E C 1.942 178.502 176.600 -0.066 0.000 0.998 640 E CA 1.049 57.428 56.400 -0.035 0.000 0.830 640 E CB -0.134 29.556 29.700 -0.017 0.000 0.751 640 E HN 0.419 nan 8.360 nan 0.000 0.491 641 L N 0.122 121.260 121.223 -0.142 0.000 2.194 641 L HA -0.094 4.246 4.340 0.001 0.000 0.197 641 L C 2.442 179.177 176.870 -0.225 0.000 1.106 641 L CA 1.118 55.853 54.840 -0.175 0.000 0.785 641 L CB -0.575 41.360 42.059 -0.207 0.000 0.960 641 L HN -0.046 nan 8.230 nan 0.000 0.465 642 Q N 1.040 120.559 119.800 -0.468 0.000 2.152 642 Q HA 0.028 4.368 4.340 0.001 0.000 0.206 642 Q C 0.589 176.562 176.000 -0.046 0.000 0.985 642 Q CA 1.146 56.740 55.803 -0.348 0.000 0.863 642 Q CB -0.509 27.857 28.738 -0.620 0.000 0.904 642 Q HN 0.443 nan 8.270 nan 0.000 0.422 643 G N -0.468 108.337 108.800 0.007 0.000 3.172 643 G HA2 -0.138 3.823 3.960 0.001 0.000 0.686 643 G HA3 -0.138 3.823 3.960 0.001 0.000 0.686 643 G C -1.057 174.021 174.900 0.297 0.000 1.009 643 G CA -0.190 44.977 45.100 0.111 0.000 0.787 643 G HN 0.380 nan 8.290 nan 0.000 0.559 644 F N 2.777 122.748 119.950 0.035 0.000 2.653 644 F HA 0.710 5.237 4.527 0.001 0.000 0.327 644 F C 0.270 175.917 175.800 -0.254 0.000 1.195 644 F CA 0.373 58.400 58.000 0.044 0.000 0.993 644 F CB 2.129 41.211 39.000 0.137 0.000 1.259 644 F HN 0.827 nan 8.300 nan 0.000 0.478 645 T N 3.889 117.703 114.554 -1.235 0.000 2.572 645 T HA 0.719 5.069 4.350 0.001 0.000 0.244 645 T C -1.517 172.476 174.700 -1.177 0.000 0.860 645 T CA -0.547 60.957 62.100 -0.993 0.000 1.125 645 T CB 1.406 69.852 68.868 -0.704 0.000 1.491 645 T HN 0.630 nan 8.240 nan 0.000 0.532 646 M N 2.402 121.589 119.600 -0.688 0.000 2.295 646 M HA 0.427 4.908 4.480 0.001 0.000 0.219 646 M C -1.563 174.634 176.300 -0.171 0.000 0.981 646 M CA -0.348 54.745 55.300 -0.345 0.000 1.019 646 M CB 0.727 33.220 32.600 -0.179 0.000 2.528 646 M HN 0.566 nan 8.290 nan 0.000 0.445 647 R N 2.734 123.198 120.500 -0.060 0.000 2.474 647 R HA 0.568 4.909 4.340 0.001 0.000 0.295 647 R C 0.449 176.780 176.300 0.053 0.000 0.980 647 R CA -0.963 55.143 56.100 0.011 0.000 0.934 647 R CB 1.216 31.550 30.300 0.057 0.000 1.101 647 R HN 0.821 nan 8.270 nan 0.000 0.469 648 L N 1.316 122.562 121.223 0.038 0.000 2.191 648 L HA -0.163 4.177 4.340 0.001 0.000 0.212 648 L C 1.274 178.183 176.870 0.065 0.000 1.103 648 L CA 1.683 56.553 54.840 0.049 0.000 0.769 648 L CB -0.010 42.073 42.059 0.039 0.000 0.908 648 L HN 0.742 nan 8.230 nan 0.000 0.438 649 E N -0.181 120.059 120.200 0.067 0.000 2.409 649 E HA -0.191 4.159 4.350 0.001 0.000 0.198 649 E C 1.465 178.114 176.600 0.080 0.000 1.024 649 E CA 0.746 57.187 56.400 0.069 0.000 0.861 649 E CB -0.124 29.613 29.700 0.062 0.000 0.788 649 E HN 0.489 nan 8.360 nan 0.000 0.521 650 D N -0.895 119.565 120.400 0.101 0.000 2.218 650 D HA -0.094 4.547 4.640 0.001 0.000 0.204 650 D C 1.266 177.635 176.300 0.114 0.000 0.976 650 D CA 0.825 54.895 54.000 0.116 0.000 0.853 650 D CB 0.294 41.187 40.800 0.154 0.000 0.939 650 D HN 0.135 nan 8.370 nan 0.000 0.481 651 V N -0.377 119.598 119.914 0.102 0.000 3.612 651 V HA 0.074 4.194 4.120 0.001 0.000 0.268 651 V C 0.640 176.789 176.094 0.091 0.000 1.365 651 V CA 0.040 62.403 62.300 0.105 0.000 1.044 651 V CB 0.308 32.193 31.823 0.103 0.000 0.820 651 V HN 0.042 nan 8.190 nan 0.000 0.444 652 S N 2.449 118.197 115.700 0.080 0.000 2.525 652 S HA 0.655 5.125 4.470 0.001 0.000 0.278 652 S C 0.001 174.643 174.600 0.070 0.000 1.234 652 S CA -0.502 57.742 58.200 0.073 0.000 1.058 652 S CB 1.415 64.656 63.200 0.067 0.000 0.983 652 S HN 0.434 nan 8.310 nan 0.000 0.495 653 L N -0.433 120.832 121.223 0.069 0.000 3.366 653 L HA 0.581 4.922 4.340 0.001 0.000 0.304 653 L C 0.662 177.577 176.870 0.075 0.000 1.292 653 L CA -0.972 53.911 54.840 0.072 0.000 1.012 653 L CB -0.482 41.621 42.059 0.072 0.000 1.414 653 L HN 0.761 nan 8.230 nan 0.000 0.603 654 G N 0.591 109.436 108.800 0.074 0.000 2.238 654 G HA2 0.206 4.167 3.960 0.001 0.000 0.234 654 G HA3 0.206 4.167 3.960 0.001 0.000 0.234 654 G C -0.246 174.705 174.900 0.085 0.000 1.181 654 G CA 0.718 45.867 45.100 0.082 0.000 0.871 654 G HN 0.583 nan 8.290 nan 0.000 0.490 655 D N 0.391 120.852 120.400 0.101 0.000 10.957 655 D HA -0.196 4.445 4.640 0.001 0.000 0.361 655 D C 0.810 177.170 176.300 0.100 0.000 3.111 655 D CA 1.657 55.716 54.000 0.099 0.000 2.605 655 D CB -0.363 40.480 40.800 0.072 0.000 1.159 655 D HN 0.937 nan 8.370 nan 0.000 0.941 656 D N -1.441 119.017 120.400 0.098 0.000 4.495 656 D HA -0.333 4.308 4.640 0.001 0.000 0.232 656 D C 1.308 177.675 176.300 0.111 0.000 0.952 656 D CA 3.267 57.328 54.000 0.102 0.000 2.071 656 D CB -1.132 39.728 40.800 0.100 0.000 1.145 656 D HN 0.259 nan 8.370 nan 0.000 0.411 657 V N 0.066 120.056 119.914 0.126 0.000 2.594 657 V HA -0.184 3.936 4.120 0.001 0.000 0.253 657 V C 2.445 178.534 176.094 -0.009 0.000 1.069 657 V CA 2.321 64.676 62.300 0.091 0.000 1.082 657 V CB -0.513 31.403 31.823 0.155 0.000 0.680 657 V HN 0.320 nan 8.190 nan 0.000 0.469 658 K N 0.186 120.612 120.400 0.043 0.000 2.097 658 K HA -0.111 4.209 4.320 0.001 0.000 0.205 658 K C 2.049 178.686 176.600 0.063 0.000 1.050 658 K CA 1.084 57.382 56.287 0.017 0.000 0.938 658 K CB -0.148 32.470 32.500 0.196 0.000 0.718 658 K HN 0.367 nan 8.250 nan 0.000 0.442 659 K N 0.695 121.196 120.400 0.168 0.000 2.574 659 K HA -0.100 4.220 4.320 0.001 0.000 0.193 659 K C 1.452 178.097 176.600 0.076 0.000 1.035 659 K CA 0.653 57.054 56.287 0.190 0.000 0.982 659 K CB 0.162 32.745 32.500 0.137 0.000 0.795 659 K HN 0.220 nan 8.250 nan 0.000 0.491 660 E N 0.348 120.536 120.200 -0.021 0.000 2.075 660 E HA -0.069 4.282 4.350 0.001 0.000 0.190 660 E C 1.800 178.341 176.600 -0.099 0.000 0.969 660 E CA 0.454 56.806 56.400 -0.080 0.000 0.815 660 E CB 0.255 29.838 29.700 -0.195 0.000 0.776 660 E HN 0.157 nan 8.360 nan 0.000 0.457 661 I N 0.511 120.974 120.570 -0.178 0.000 2.163 661 I HA -0.272 3.898 4.170 0.001 0.000 0.243 661 I C 1.710 177.712 176.117 -0.192 0.000 1.085 661 I CA 1.596 62.755 61.300 -0.236 0.000 1.347 661 I CB -1.508 36.254 38.000 -0.398 0.000 1.044 661 I HN 0.181 nan 8.210 nan 0.000 0.408 662 Y N 1.003 121.308 120.300 0.007 0.000 2.542 662 Y HA -0.072 4.478 4.550 0.000 0.000 0.326 662 Y C 1.848 177.743 175.900 -0.007 0.000 1.218 662 Y CA 0.226 58.325 58.100 -0.002 0.000 1.277 662 Y CB -0.621 37.834 38.460 -0.008 0.000 1.064 662 Y HN 0.290 nan 8.280 nan 0.000 0.499 663 N N -0.505 118.245 118.700 0.084 0.000 2.166 663 N HA -0.018 4.722 4.740 0.001 0.000 0.213 663 N C 1.182 176.709 175.510 0.027 0.000 1.222 663 N CA 0.268 53.349 53.050 0.051 0.000 0.900 663 N CB 0.439 38.946 38.487 0.033 0.000 1.055 663 N HN 0.139 nan 8.380 nan 0.000 0.515 664 E N -0.426 119.785 120.200 0.019 0.000 2.399 664 E HA 0.213 4.563 4.350 0.001 0.000 0.205 664 E C 1.665 178.294 176.600 0.047 0.000 0.906 664 E CA 0.336 56.745 56.400 0.014 0.000 0.998 664 E CB 0.173 29.866 29.700 -0.012 0.000 1.002 664 E HN 0.468 nan 8.360 nan 0.000 0.501 665 I N -0.142 120.478 120.570 0.084 0.000 2.233 665 I HA -0.086 4.084 4.170 0.001 0.000 0.243 665 I C 1.504 177.687 176.117 0.110 0.000 1.093 665 I CA 1.713 63.116 61.300 0.173 0.000 1.380 665 I CB -0.519 37.619 38.000 0.231 0.000 1.067 665 I HN -0.084 nan 8.210 nan 0.000 0.413 666 D N 0.610 121.043 120.400 0.053 0.000 2.277 666 D HA -0.158 4.482 4.640 0.001 0.000 0.208 666 D C 2.184 178.495 176.300 0.018 0.000 0.962 666 D CA 0.749 54.763 54.000 0.022 0.000 0.865 666 D CB -0.533 40.272 40.800 0.008 0.000 0.939 666 D HN 0.402 nan 8.370 nan 0.000 0.510 667 R N 0.285 120.798 120.500 0.022 0.000 2.092 667 R HA 0.053 4.393 4.340 0.001 0.000 0.231 667 R C 2.128 178.428 176.300 -0.001 0.000 1.119 667 R CA 1.258 57.363 56.100 0.008 0.000 0.970 667 R CB -0.198 30.107 30.300 0.008 0.000 0.864 667 R HN 0.245 nan 8.270 nan 0.000 0.440 668 A N 0.817 123.640 122.820 0.006 0.000 2.015 668 A HA -0.124 4.196 4.320 0.001 0.000 0.219 668 A C 1.836 179.399 177.584 -0.036 0.000 1.163 668 A CA 1.134 53.157 52.037 -0.022 0.000 0.646 668 A CB -0.139 18.847 19.000 -0.024 0.000 0.806 668 A HN 0.251 nan 8.150 nan 0.000 0.448 669 K N -0.094 120.304 120.400 -0.003 0.000 2.025 669 K HA -0.099 4.222 4.320 0.001 0.000 0.207 669 K C 1.897 178.488 176.600 -0.015 0.000 1.049 669 K CA 1.586 57.870 56.287 -0.005 0.000 0.933 669 K CB -0.453 32.057 32.500 0.017 0.000 0.714 669 K HN 0.487 nan 8.250 nan 0.000 0.438 670 V N -0.496 119.412 119.914 -0.011 0.000 2.594 670 V HA -0.192 3.929 4.120 0.001 0.000 0.253 670 V C 1.927 178.006 176.094 -0.024 0.000 1.069 670 V CA 1.753 64.046 62.300 -0.013 0.000 1.082 670 V CB -0.575 31.242 31.823 -0.009 0.000 0.680 670 V HN 0.267 nan 8.190 nan 0.000 0.469 671 E N 0.255 120.436 120.200 -0.033 0.000 2.268 671 E HA -0.099 4.251 4.350 0.001 0.000 0.195 671 E C 1.932 178.501 176.600 -0.052 0.000 0.995 671 E CA 1.290 57.663 56.400 -0.045 0.000 0.836 671 E CB 0.147 29.817 29.700 -0.050 0.000 0.763 671 E HN 0.621 nan 8.360 nan 0.000 0.491 672 V N 0.738 120.622 119.914 -0.050 0.000 2.685 672 V HA -0.113 4.007 4.120 0.001 0.000 0.244 672 V C 1.621 177.702 176.094 -0.023 0.000 1.054 672 V CA 1.104 63.376 62.300 -0.047 0.000 1.076 672 V CB -0.205 31.575 31.823 -0.072 0.000 0.725 672 V HN 0.172 nan 8.190 nan 0.000 0.467 673 D N 1.944 122.334 120.400 -0.017 0.000 2.088 673 D HA -0.167 4.474 4.640 0.001 0.000 0.191 673 D C 1.827 178.129 176.300 0.003 0.000 0.992 673 D CA 1.946 55.945 54.000 -0.002 0.000 0.831 673 D CB -0.520 40.281 40.800 0.000 0.000 0.973 673 D HN 0.605 nan 8.370 nan 0.000 0.447 674 N N 0.707 119.403 118.700 -0.006 0.000 2.571 674 N HA -0.095 4.646 4.740 0.001 0.000 0.189 674 N C 1.649 177.155 175.510 -0.007 0.000 1.154 674 N CA 0.254 53.300 53.050 -0.006 0.000 0.907 674 N CB -0.616 37.862 38.487 -0.014 0.000 0.977 674 N HN 0.260 nan 8.380 nan 0.000 0.449 675 L N -0.587 120.631 121.223 -0.008 0.000 2.354 675 L HA 0.159 4.499 4.340 0.001 0.000 0.212 675 L C 1.759 178.662 176.870 0.056 0.000 1.091 675 L CA 0.191 55.031 54.840 -0.001 0.000 0.828 675 L CB -0.032 42.011 42.059 -0.026 0.000 0.973 675 L HN 0.032 nan 8.230 nan 0.000 0.461 676 I N -0.067 120.534 120.570 0.051 0.000 2.163 676 I HA -0.280 3.890 4.170 0.001 0.000 0.240 676 I C 2.353 178.545 176.117 0.125 0.000 1.081 676 I CA 1.535 62.887 61.300 0.087 0.000 1.353 676 I CB -0.939 37.095 38.000 0.056 0.000 1.054 676 I HN 0.404 nan 8.210 nan 0.000 0.407 677 Q N 0.208 120.051 119.800 0.071 0.000 2.291 677 Q HA -0.180 4.161 4.340 0.001 0.000 0.205 677 Q C 2.125 178.149 176.000 0.040 0.000 0.970 677 Q CA 0.865 56.697 55.803 0.049 0.000 0.876 677 Q CB 0.024 28.775 28.738 0.022 0.000 0.935 677 Q HN 0.459 nan 8.270 nan 0.000 0.455 678 K N 0.266 120.698 120.400 0.053 0.000 2.020 678 K HA -0.239 4.082 4.320 0.001 0.000 0.212 678 K C 1.998 178.645 176.600 0.079 0.000 1.050 678 K CA 1.820 58.137 56.287 0.050 0.000 0.929 678 K CB -0.328 32.198 32.500 0.043 0.000 0.714 678 K HN 0.213 nan 8.250 nan 0.000 0.443 679 Y N 1.855 122.170 120.300 0.025 0.000 2.207 679 Y HA -0.212 4.339 4.550 0.001 0.000 0.287 679 Y C 1.606 177.512 175.900 0.010 0.000 1.156 679 Y CA 1.592 59.710 58.100 0.029 0.000 1.182 679 Y CB 0.024 38.507 38.460 0.037 0.000 0.979 679 Y HN -0.065 nan 8.280 nan 0.000 0.521 680 K N 0.378 120.700 120.400 -0.131 0.000 2.280 680 K HA -0.107 4.213 4.320 0.001 0.000 0.202 680 K C 0.446 176.924 176.600 -0.203 0.000 1.047 680 K CA 0.793 56.950 56.287 -0.218 0.000 0.942 680 K CB -0.154 32.323 32.500 -0.037 0.000 0.739 680 K HN 0.397 nan 8.250 nan 0.000 0.457 681 N N -1.020 117.597 118.700 -0.138 0.000 2.818 681 N HA 0.091 4.831 4.740 0.001 0.000 0.312 681 N C 1.183 176.628 175.510 -0.108 0.000 1.368 681 N CA 0.074 53.064 53.050 -0.101 0.000 0.817 681 N CB -0.289 38.166 38.487 -0.053 0.000 1.116 681 N HN 0.022 nan 8.380 nan 0.000 0.519 682 G N -0.607 108.154 108.800 -0.064 0.000 2.939 682 G HA2 -0.033 3.927 3.960 0.001 0.000 0.216 682 G HA3 -0.033 3.927 3.960 0.001 0.000 0.216 682 G C 0.252 175.138 174.900 -0.024 0.000 1.125 682 G CA -0.095 44.976 45.100 -0.048 0.000 0.766 682 G HN 0.593 nan 8.290 nan 0.000 0.541 683 E N 1.453 121.642 120.200 -0.018 0.000 2.352 683 E HA 0.120 4.471 4.350 0.001 0.000 0.197 683 E C 1.465 178.078 176.600 0.022 0.000 1.224 683 E CA -0.347 56.052 56.400 -0.002 0.000 1.118 683 E CB -0.363 29.332 29.700 -0.008 0.000 1.198 683 E HN 0.358 nan 8.360 nan 0.000 0.454 684 L N 1.049 122.291 121.223 0.031 0.000 2.054 684 L HA -0.273 4.067 4.340 0.001 0.000 0.220 684 L C 0.814 177.774 176.870 0.150 0.000 1.081 684 L CA 1.658 56.551 54.840 0.088 0.000 0.780 684 L CB -1.084 41.019 42.059 0.073 0.000 0.893 684 L HN 0.319 nan 8.230 nan 0.000 0.438 685 E N -0.222 120.048 120.200 0.117 0.000 2.689 685 E HA -0.142 4.208 4.350 0.001 0.000 0.165 685 E C -2.273 174.473 176.600 0.243 0.000 1.609 685 E CA -0.186 56.309 56.400 0.159 0.000 0.674 685 E CB -0.901 28.864 29.700 0.109 0.000 1.103 685 E HN 0.299 nan 8.360 nan 0.000 0.373 686 P HA 0.330 nan 4.420 nan 0.000 0.292 686 P C -0.092 177.251 177.300 0.070 0.000 1.287 686 P CA -0.240 62.918 63.100 0.097 0.000 0.800 686 P CB 0.640 32.377 31.700 0.062 0.000 0.945 687 I N 5.980 126.552 120.570 0.003 0.000 2.315 687 I HA 0.228 4.399 4.170 0.001 0.000 0.291 687 I C -1.037 175.063 176.117 -0.029 0.000 1.006 687 I CA -2.108 59.177 61.300 -0.024 0.000 1.265 687 I CB 1.742 39.681 38.000 -0.103 0.000 1.387 687 I HN 0.234 nan 8.210 nan 0.000 0.475 688 P HA -0.005 nan 4.420 nan 0.000 0.242 688 P C 1.371 178.659 177.300 -0.019 0.000 1.197 688 P CA 0.457 63.551 63.100 -0.010 0.000 0.765 688 P CB 0.295 31.994 31.700 -0.001 0.000 0.936 689 G N -0.013 108.769 108.800 -0.030 0.000 2.440 689 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 689 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 689 G C 1.638 176.517 174.900 -0.036 0.000 1.154 689 G CA 0.891 45.971 45.100 -0.034 0.000 0.767 689 G HN 0.272 nan 8.290 nan 0.000 0.552 690 R N -1.660 118.813 120.500 -0.045 0.000 2.841 690 R HA 0.336 4.677 4.340 0.001 0.000 0.094 690 R C -0.111 176.167 176.300 -0.036 0.000 0.721 690 R CA 0.264 56.340 56.100 -0.041 0.000 0.544 690 R CB -0.259 30.011 30.300 -0.050 0.000 0.458 690 R HN 0.090 nan 8.270 nan 0.000 0.334 691 T N 1.522 116.050 114.554 -0.043 0.000 2.918 691 T HA 0.316 4.667 4.350 0.001 0.000 0.283 691 T C 1.071 175.756 174.700 -0.026 0.000 1.001 691 T CA -0.441 61.643 62.100 -0.027 0.000 1.041 691 T CB 0.900 69.751 68.868 -0.028 0.000 1.028 691 T HN 0.241 nan 8.240 nan 0.000 0.511 692 L N 0.453 121.685 121.223 0.015 0.000 2.179 692 L HA 0.083 4.423 4.340 0.001 0.000 0.208 692 L C 2.382 179.297 176.870 0.075 0.000 1.096 692 L CA 1.418 56.292 54.840 0.057 0.000 0.779 692 L CB -0.607 41.508 42.059 0.095 0.000 0.922 692 L HN 0.702 nan 8.230 nan 0.000 0.443 693 E N -0.635 119.587 120.200 0.037 0.000 2.502 693 E HA -0.088 4.263 4.350 0.001 0.000 0.194 693 E C 1.490 177.982 176.600 -0.180 0.000 1.062 693 E CA 0.199 56.548 56.400 -0.084 0.000 0.867 693 E CB 0.246 29.936 29.700 -0.017 0.000 0.888 693 E HN 0.461 nan 8.360 nan 0.000 0.510 694 E N -0.178 119.943 120.200 -0.130 0.000 2.508 694 E HA -0.020 4.330 4.350 0.001 0.000 0.217 694 E C 1.706 178.191 176.600 -0.191 0.000 0.896 694 E CA 0.280 56.594 56.400 -0.143 0.000 1.118 694 E CB 0.482 30.122 29.700 -0.099 0.000 1.133 694 E HN 0.143 nan 8.360 nan 0.000 0.526 695 S N 1.170 116.737 115.700 -0.222 0.000 2.423 695 S HA -0.100 4.370 4.470 0.001 0.000 0.231 695 S C 2.028 176.309 174.600 -0.532 0.000 1.014 695 S CA 0.242 58.193 58.200 -0.416 0.000 0.965 695 S CB -0.233 62.740 63.200 -0.379 0.000 0.785 695 S HN 0.282 nan 8.310 nan 0.000 0.495 696 L N 1.505 122.584 121.223 -0.241 0.000 2.042 696 L HA -0.113 4.228 4.340 0.001 0.000 0.210 696 L C 2.520 179.330 176.870 -0.101 0.000 1.076 696 L CA 2.161 56.943 54.840 -0.097 0.000 0.749 696 L CB -1.021 40.889 42.059 -0.248 0.000 0.893 696 L HN 0.338 nan 8.230 nan 0.000 0.432 697 E N 0.157 120.261 120.200 -0.160 0.000 2.028 697 E HA -0.264 4.086 4.350 0.001 0.000 0.191 697 E C 1.916 178.456 176.600 -0.099 0.000 0.988 697 E CA 1.564 57.893 56.400 -0.119 0.000 0.799 697 E CB -0.409 29.221 29.700 -0.118 0.000 0.755 697 E HN 0.610 nan 8.360 nan 0.000 0.447 698 N N 0.058 118.667 118.700 -0.151 0.000 2.094 698 N HA -0.208 4.532 4.740 0.001 0.000 0.191 698 N C 1.863 177.352 175.510 -0.036 0.000 1.023 698 N CA 1.442 54.416 53.050 -0.127 0.000 0.857 698 N CB -0.283 38.088 38.487 -0.193 0.000 1.013 698 N HN 0.238 nan 8.380 nan 0.000 0.426 699 Y N 0.032 120.301 120.300 -0.051 0.000 2.165 699 Y HA -0.166 4.385 4.550 0.001 0.000 0.286 699 Y C 2.026 177.888 175.900 -0.064 0.000 1.155 699 Y CA 0.725 58.796 58.100 -0.048 0.000 1.164 699 Y CB -0.085 38.351 38.460 -0.040 0.000 0.978 699 Y HN 0.157 nan 8.280 nan 0.000 0.513 700 I N -0.610 120.011 120.570 0.085 0.000 2.546 700 I HA -0.256 3.914 4.170 0.001 0.000 0.255 700 I C 1.986 178.071 176.117 -0.053 0.000 1.163 700 I CA 0.795 62.086 61.300 -0.015 0.000 1.457 700 I CB -0.231 37.739 38.000 -0.049 0.000 1.092 700 I HN 0.240 nan 8.210 nan 0.000 0.434 701 L N 0.380 121.584 121.223 -0.032 0.000 2.023 701 L HA -0.222 4.119 4.340 0.001 0.000 0.205 701 L C 2.280 179.136 176.870 -0.023 0.000 1.073 701 L CA 1.608 56.427 54.840 -0.036 0.000 0.745 701 L CB -0.506 41.533 42.059 -0.033 0.000 0.900 701 L HN 0.231 nan 8.230 nan 0.000 0.435 702 D N -0.527 119.874 120.400 0.002 0.000 2.087 702 D HA -0.208 4.433 4.640 0.001 0.000 0.192 702 D C 1.962 178.255 176.300 -0.012 0.000 0.993 702 D CA 2.061 56.067 54.000 0.009 0.000 0.828 702 D CB 0.010 40.837 40.800 0.045 0.000 0.968 702 D HN 0.123 nan 8.370 nan 0.000 0.448 703 T N 0.195 114.736 114.554 -0.021 0.000 2.653 703 T HA -0.200 4.151 4.350 0.001 0.000 0.268 703 T C 2.051 176.694 174.700 -0.096 0.000 1.035 703 T CA 1.393 63.459 62.100 -0.056 0.000 1.154 703 T CB -0.440 68.387 68.868 -0.068 0.000 0.862 703 T HN 0.165 nan 8.240 nan 0.000 0.441 704 L N 0.325 121.462 121.223 -0.143 0.000 2.072 704 L HA -0.037 4.303 4.340 0.001 0.000 0.205 704 L C 2.580 179.429 176.870 -0.036 0.000 1.079 704 L CA 1.234 55.935 54.840 -0.231 0.000 0.752 704 L CB -0.452 41.363 42.059 -0.407 0.000 0.906 704 L HN 0.217 nan 8.230 nan 0.000 0.436 705 D N 0.071 120.469 120.400 -0.002 0.000 2.123 705 D HA -0.204 4.437 4.640 0.001 0.000 0.196 705 D C 2.181 178.490 176.300 0.014 0.000 0.992 705 D CA 1.272 55.287 54.000 0.025 0.000 0.833 705 D CB 0.212 41.017 40.800 0.009 0.000 0.954 705 D HN -0.035 nan 8.370 nan 0.000 0.455 706 K N -0.243 120.154 120.400 -0.004 0.000 2.009 706 K HA -0.086 4.235 4.320 0.001 0.000 0.210 706 K C 1.453 178.052 176.600 -0.002 0.000 1.049 706 K CA 0.702 56.986 56.287 -0.006 0.000 0.929 706 K CB -0.495 31.997 32.500 -0.014 0.000 0.714 706 K HN 0.282 nan 8.250 nan 0.000 0.440 707 L N 1.790 123.007 121.223 -0.010 0.000 2.968 707 L HA 0.070 4.410 4.340 0.001 0.000 0.235 707 L C 1.375 178.279 176.870 0.056 0.000 1.323 707 L CA -0.091 54.750 54.840 0.002 0.000 1.159 707 L CB -0.033 42.010 42.059 -0.026 0.000 1.523 707 L HN 0.136 nan 8.230 nan 0.000 0.468 708 R N -3.061 117.477 120.500 0.064 0.000 2.444 708 R HA 0.090 4.430 4.340 0.001 0.000 0.201 708 R C 1.874 178.183 176.300 0.017 0.000 0.861 708 R CA 0.777 56.922 56.100 0.074 0.000 1.034 708 R CB -0.705 29.657 30.300 0.104 0.000 1.347 708 R HN 0.081 nan 8.270 nan 0.000 0.659 709 S N 0.224 115.931 115.700 0.011 0.000 2.402 709 S HA -0.111 4.359 4.470 0.001 0.000 0.229 709 S C 1.561 176.161 174.600 0.001 0.000 1.021 709 S CA 1.398 59.598 58.200 0.001 0.000 0.974 709 S CB -0.848 62.353 63.200 0.002 0.000 0.800 709 S HN 0.386 nan 8.310 nan 0.000 0.484 710 T N 2.774 117.328 114.554 0.000 0.000 2.737 710 T HA -0.024 4.327 4.350 0.001 0.000 0.269 710 T C 2.130 176.817 174.700 -0.022 0.000 1.040 710 T CA 1.477 63.572 62.100 -0.008 0.000 1.142 710 T CB -0.714 68.148 68.868 -0.009 0.000 0.861 710 T HN 0.650 nan 8.240 nan 0.000 0.456 711 A N 1.321 124.128 122.820 -0.021 0.000 1.929 711 A HA 0.263 4.584 4.320 0.001 0.000 0.216 711 A C 2.661 180.225 177.584 -0.033 0.000 1.176 711 A CA 1.525 53.536 52.037 -0.042 0.000 0.628 711 A CB -1.286 17.692 19.000 -0.038 0.000 0.816 711 A HN 0.497 nan 8.150 nan 0.000 0.444 712 G N 0.128 108.920 108.800 -0.014 0.000 2.446 712 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 712 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 712 G C 1.117 176.035 174.900 0.030 0.000 1.168 712 G CA 1.337 46.441 45.100 0.007 0.000 0.771 712 G HN 0.441 nan 8.290 nan 0.000 0.551 713 D N 0.625 121.037 120.400 0.020 0.000 2.116 713 D HA -0.122 4.518 4.640 0.001 0.000 0.193 713 D C 2.516 178.843 176.300 0.046 0.000 0.998 713 D CA 0.742 54.764 54.000 0.037 0.000 0.836 713 D CB -0.265 40.548 40.800 0.021 0.000 0.951 713 D HN 0.402 nan 8.370 nan 0.000 0.449 714 I N 0.841 121.399 120.570 -0.020 0.000 2.113 714 I HA -0.261 3.909 4.170 0.001 0.000 0.238 714 I C 2.260 178.386 176.117 0.016 0.000 1.070 714 I CA 1.293 62.532 61.300 -0.102 0.000 1.332 714 I CB -0.324 37.521 38.000 -0.259 0.000 1.044 714 I HN -0.061 nan 8.210 nan 0.000 0.402 715 A N -0.629 122.206 122.820 0.025 0.000 2.259 715 A HA -0.092 4.228 4.320 0.001 0.000 0.212 715 A C 2.246 179.925 177.584 0.159 0.000 1.178 715 A CA 1.506 53.594 52.037 0.085 0.000 0.734 715 A CB -0.428 18.605 19.000 0.056 0.000 0.774 715 A HN 0.392 nan 8.150 nan 0.000 0.481 716 S N -1.681 114.130 115.700 0.185 0.000 2.511 716 S HA 0.136 4.607 4.470 0.001 0.000 0.214 716 S C 1.513 176.223 174.600 0.184 0.000 0.997 716 S CA 0.574 58.951 58.200 0.295 0.000 0.908 716 S CB 0.250 63.629 63.200 0.298 0.000 0.803 716 S HN 0.524 nan 8.310 nan 0.000 0.504 717 K N -0.488 120.018 120.400 0.176 0.000 2.462 717 K HA 0.332 4.653 4.320 0.001 0.000 0.201 717 K C 0.181 176.858 176.600 0.128 0.000 1.268 717 K CA 0.277 56.645 56.287 0.136 0.000 0.933 717 K CB -0.010 32.593 32.500 0.171 0.000 1.162 717 K HN 0.131 nan 8.250 nan 0.000 0.527 718 Y N 0.672 120.973 120.300 0.001 0.000 2.465 718 Y HA 0.316 4.867 4.550 0.001 0.000 0.311 718 Y C -0.124 175.768 175.900 -0.013 0.000 1.204 718 Y CA 0.032 58.131 58.100 -0.002 0.000 1.272 718 Y CB 0.042 38.508 38.460 0.009 0.000 1.083 718 Y HN -0.089 nan 8.280 nan 0.000 0.508 719 L N -0.595 120.670 121.223 0.070 0.000 2.482 719 L HA 0.348 4.688 4.340 0.001 0.000 0.263 719 L C -0.916 175.858 176.870 -0.159 0.000 0.957 719 L CA -1.046 53.792 54.840 -0.003 0.000 0.836 719 L CB 1.451 43.541 42.059 0.052 0.000 1.324 719 L HN -0.278 nan 8.230 nan 0.000 0.406 720 D N 5.595 125.915 120.400 -0.133 0.000 2.536 720 D HA -0.006 4.634 4.640 0.001 0.000 0.260 720 D C -1.728 174.330 176.300 -0.403 0.000 1.270 720 D CA -0.823 53.081 54.000 -0.161 0.000 0.934 720 D CB 1.231 41.996 40.800 -0.057 0.000 1.129 720 D HN 0.294 nan 8.370 nan 0.000 0.533 721 P HA -0.049 nan 4.420 nan 0.000 0.231 721 P C 0.425 177.620 177.300 -0.174 0.000 1.158 721 P CA 0.759 63.537 63.100 -0.538 0.000 0.763 721 P CB 0.052 31.704 31.700 -0.080 0.000 0.805 722 F N -1.451 118.415 119.950 -0.140 0.000 2.746 722 F HA 0.137 4.664 4.527 0.000 0.000 0.320 722 F C 1.357 177.097 175.800 -0.099 0.000 1.097 722 F CA -0.603 57.375 58.000 -0.036 0.000 1.195 722 F CB 0.020 39.003 39.000 -0.029 0.000 1.056 722 F HN -0.124 nan 8.300 nan 0.000 0.562 723 N N -0.266 118.443 118.700 0.015 0.000 2.354 723 N HA -0.040 4.700 4.740 0.001 0.000 0.246 723 N C 0.865 176.333 175.510 -0.070 0.000 1.285 723 N CA -0.222 52.766 53.050 -0.103 0.000 0.925 723 N CB 0.419 38.906 38.487 0.000 0.000 1.174 723 N HN 0.005 nan 8.380 nan 0.000 0.478 724 F N -0.005 119.956 119.950 0.018 0.000 2.075 724 F HA -0.124 4.403 4.527 0.001 0.000 0.297 724 F C 2.751 178.575 175.800 0.040 0.000 1.113 724 F CA 1.863 59.805 58.000 -0.097 0.000 1.218 724 F CB -0.589 38.175 39.000 -0.394 0.000 0.984 724 F HN 0.678 nan 8.300 nan 0.000 0.472 725 A N -1.353 121.615 122.820 0.247 0.000 1.969 725 A HA -0.230 4.091 4.320 0.001 0.000 0.218 725 A C 1.963 179.645 177.584 0.163 0.000 1.169 725 A CA 1.318 53.465 52.037 0.184 0.000 0.635 725 A CB -1.208 17.882 19.000 0.151 0.000 0.810 725 A HN 0.511 nan 8.150 nan 0.000 0.445 726 Y N -0.359 119.975 120.300 0.056 0.000 2.420 726 Y HA -0.020 4.531 4.550 0.001 0.000 0.292 726 Y C 2.295 178.174 175.900 -0.035 0.000 1.119 726 Y CA 1.302 59.409 58.100 0.011 0.000 1.229 726 Y CB 0.179 38.642 38.460 0.004 0.000 1.026 726 Y HN 0.083 nan 8.280 nan 0.000 0.554 727 V N -0.458 119.551 119.914 0.159 0.000 2.453 727 V HA -0.302 3.818 4.120 0.001 0.000 0.247 727 V C 2.256 178.358 176.094 0.013 0.000 1.048 727 V CA 1.753 64.068 62.300 0.025 0.000 1.049 727 V CB -0.525 31.365 31.823 0.111 0.000 0.672 727 V HN 0.379 nan 8.190 nan 0.000 0.457 728 M N 0.381 120.075 119.600 0.157 0.000 2.088 728 M HA -0.106 4.374 4.480 0.001 0.000 0.256 728 M C 1.270 177.561 176.300 -0.014 0.000 1.071 728 M CA 1.896 57.270 55.300 0.124 0.000 1.097 728 M CB -0.502 32.201 32.600 0.170 0.000 1.315 728 M HN 0.333 nan 8.290 nan 0.000 0.406 729 A N -0.494 122.284 122.820 -0.070 0.000 2.462 729 A HA 0.370 4.691 4.320 0.001 0.000 0.243 729 A C 0.836 178.307 177.584 -0.188 0.000 1.076 729 A CA 0.426 52.372 52.037 -0.153 0.000 0.773 729 A CB 0.009 18.855 19.000 -0.256 0.000 1.010 729 A HN 0.683 nan 8.150 nan 0.000 0.493 730 R N -1.419 118.985 120.500 -0.159 0.000 3.011 730 R HA -0.148 4.193 4.340 0.001 0.000 0.314 730 R C 0.259 176.470 176.300 -0.147 0.000 0.573 730 R CA 1.780 57.791 56.100 -0.148 0.000 1.550 730 R CB -1.994 28.204 30.300 -0.170 0.000 1.554 730 R HN 1.094 nan 8.270 nan 0.000 0.423 731 T N -1.624 112.818 114.554 -0.186 0.000 3.042 731 T HA 0.537 4.887 4.350 0.001 0.000 0.356 731 T C 1.300 175.945 174.700 -0.092 0.000 1.233 731 T CA 0.103 62.100 62.100 -0.171 0.000 1.038 731 T CB 1.435 70.107 68.868 -0.328 0.000 1.089 731 T HN 0.502 nan 8.240 nan 0.000 0.531 732 G N 3.936 112.702 108.800 -0.057 0.000 3.310 732 G HA2 -0.356 3.604 3.960 0.001 0.000 0.355 732 G HA3 -0.356 3.604 3.960 0.001 0.000 0.355 732 G C 1.019 175.906 174.900 -0.022 0.000 1.811 732 G CA 1.018 46.098 45.100 -0.033 0.000 2.003 732 G HN 2.098 nan 8.290 nan 0.000 1.001 733 A N 0.683 123.495 122.820 -0.012 0.000 2.355 733 A HA 0.043 4.364 4.320 0.001 0.000 0.309 733 A C 1.159 178.758 177.584 0.025 0.000 0.864 733 A CA 1.408 53.452 52.037 0.012 0.000 1.274 733 A CB -0.381 18.618 19.000 -0.002 0.000 0.690 733 A HN 0.752 nan 8.150 nan 0.000 0.335 734 R N 1.967 122.487 120.500 0.033 0.000 4.681 734 R HA -0.188 4.153 4.340 0.001 0.000 0.131 734 R C 1.376 177.689 176.300 0.023 0.000 0.234 734 R CA 0.706 56.822 56.100 0.027 0.000 0.874 734 R CB -0.917 29.405 30.300 0.037 0.000 1.029 734 R HN 0.904 nan 8.270 nan 0.000 0.297 735 G N -0.362 108.438 108.800 -0.001 0.000 2.808 735 G HA2 -0.117 3.844 3.960 0.001 0.000 0.210 735 G HA3 -0.117 3.844 3.960 0.001 0.000 0.210 735 G C 0.389 175.270 174.900 -0.032 0.000 1.177 735 G CA 0.510 45.599 45.100 -0.019 0.000 0.853 735 G HN 0.485 nan 8.290 nan 0.000 0.625 736 S N -0.802 114.873 115.700 -0.041 0.000 3.561 736 S HA -0.283 4.187 4.470 0.001 0.000 0.318 736 S C 1.795 176.362 174.600 -0.055 0.000 1.181 736 S CA 1.365 59.541 58.200 -0.039 0.000 0.916 736 S CB -2.057 61.131 63.200 -0.020 0.000 0.966 736 S HN 2.091 nan 8.310 nan 0.000 0.550 737 V N -1.742 118.116 119.914 -0.093 0.000 0.676 737 V HA -0.411 3.710 4.120 0.001 0.000 0.092 737 V C 1.681 177.723 176.094 -0.086 0.000 1.105 737 V CA 2.320 64.542 62.300 -0.130 0.000 3.165 737 V CB -1.697 30.053 31.823 -0.123 0.000 0.372 737 V HN 0.640 nan 8.190 nan 0.000 0.345 738 L N 3.035 124.225 121.223 -0.055 0.000 2.675 738 L HA 0.042 4.382 4.340 0.001 0.000 0.238 738 L C 2.070 178.930 176.870 -0.016 0.000 1.155 738 L CA 1.886 56.706 54.840 -0.033 0.000 0.881 738 L CB -1.566 40.477 42.059 -0.028 0.000 1.008 738 L HN 1.028 nan 8.230 nan 0.000 0.443 739 N N -0.754 117.941 118.700 -0.007 0.000 2.280 739 N HA -0.079 4.662 4.740 0.001 0.000 0.192 739 N C 1.344 176.880 175.510 0.045 0.000 1.109 739 N CA 0.152 53.218 53.050 0.027 0.000 0.855 739 N CB 0.088 38.597 38.487 0.036 0.000 0.974 739 N HN 0.125 nan 8.380 nan 0.000 0.482 740 I N 1.289 121.867 120.570 0.014 0.000 2.353 740 I HA -0.114 4.056 4.170 0.001 0.000 0.248 740 I C 1.629 177.775 176.117 0.047 0.000 1.119 740 I CA 0.900 62.221 61.300 0.036 0.000 1.417 740 I CB -1.434 36.565 38.000 -0.002 0.000 1.078 740 I HN 0.127 nan 8.210 nan 0.000 0.421 741 T N 0.839 115.404 114.554 0.018 0.000 2.635 741 T HA -0.258 4.093 4.350 0.001 0.000 0.267 741 T C 1.915 176.601 174.700 -0.023 0.000 1.040 741 T CA 1.505 63.606 62.100 0.000 0.000 1.156 741 T CB -0.283 68.575 68.868 -0.018 0.000 0.863 741 T HN 0.377 nan 8.240 nan 0.000 0.430 742 Q N 0.006 119.795 119.800 -0.018 0.000 2.112 742 Q HA -0.089 4.251 4.340 0.001 0.000 0.206 742 Q C 2.415 178.410 176.000 -0.009 0.000 0.987 742 Q CA 1.483 57.247 55.803 -0.066 0.000 0.858 742 Q CB -0.255 28.508 28.738 0.042 0.000 0.905 742 Q HN 0.541 nan 8.270 nan 0.000 0.420 743 M N -1.080 118.618 119.600 0.162 0.000 2.200 743 M HA -0.125 4.356 4.480 0.001 0.000 0.265 743 M C 2.060 178.427 176.300 0.111 0.000 1.066 743 M CA 1.364 56.799 55.300 0.225 0.000 1.127 743 M CB 0.008 32.722 32.600 0.190 0.000 1.379 743 M HN 0.224 nan 8.290 nan 0.000 0.420 744 A N -0.662 122.197 122.820 0.065 0.000 1.909 744 A HA 0.341 4.661 4.320 0.001 0.000 0.210 744 A C 2.074 179.665 177.584 0.012 0.000 1.273 744 A CA 1.053 53.124 52.037 0.055 0.000 0.654 744 A CB -0.588 18.458 19.000 0.077 0.000 0.945 744 A HN 0.394 nan 8.150 nan 0.000 0.471 745 A N -0.868 121.939 122.820 -0.021 0.000 1.944 745 A HA 0.622 4.942 4.320 0.001 0.000 0.209 745 A C 0.784 178.311 177.584 -0.096 0.000 1.328 745 A CA 1.309 53.311 52.037 -0.059 0.000 0.693 745 A CB -0.140 18.826 19.000 -0.057 0.000 0.994 745 A HN 0.952 nan 8.150 nan 0.000 0.485 746 M N -3.278 116.243 119.600 -0.131 0.000 2.790 746 M HA 0.434 4.915 4.480 0.001 0.000 0.272 746 M C -0.989 175.126 176.300 -0.309 0.000 1.168 746 M CA -0.550 54.623 55.300 -0.211 0.000 0.829 746 M CB 1.193 33.679 32.600 -0.189 0.000 1.675 746 M HN -0.056 nan 8.290 nan 0.000 0.505 747 L N 0.760 121.714 121.223 -0.448 0.000 2.354 747 L HA 0.442 4.782 4.340 0.001 0.000 0.212 747 L C 1.090 177.673 176.870 -0.479 0.000 1.091 747 L CA 1.191 55.724 54.840 -0.511 0.000 0.828 747 L CB -0.126 41.551 42.059 -0.637 0.000 0.973 747 L HN 1.178 nan 8.230 nan 0.000 0.461 748 G N 0.576 108.953 108.800 -0.705 0.000 2.828 748 G HA2 -0.322 3.639 3.960 0.001 0.000 0.463 748 G HA3 -0.322 3.639 3.960 0.001 0.000 0.463 748 G C -0.320 174.207 174.900 -0.622 0.000 1.394 748 G CA -0.409 44.265 45.100 -0.710 0.000 0.862 748 G HN 0.260 nan 8.290 nan 0.000 0.540 749 Q N 0.641 120.333 119.800 -0.179 0.000 2.257 749 Q HA 0.322 4.662 4.340 0.001 0.000 0.273 749 Q C 0.775 176.727 176.000 -0.080 0.000 1.153 749 Q CA 0.459 56.261 55.803 -0.003 0.000 0.922 749 Q CB 0.257 29.098 28.738 0.171 0.000 1.242 749 Q HN 0.479 nan 8.270 nan 0.000 0.409 750 Q N 2.192 121.928 119.800 -0.108 0.000 2.332 750 Q HA 0.283 4.624 4.340 0.001 0.000 0.263 750 Q C -0.669 175.328 176.000 -0.005 0.000 0.979 750 Q CA 0.175 55.964 55.803 -0.023 0.000 0.885 750 Q CB 1.150 29.923 28.738 0.059 0.000 1.218 750 Q HN 0.791 nan 8.270 nan 0.000 0.405 751 S N -0.694 115.017 115.700 0.018 0.000 2.533 751 S HA 0.573 5.043 4.470 0.001 0.000 0.271 751 S C -0.405 174.208 174.600 0.022 0.000 1.143 751 S CA -1.003 57.205 58.200 0.012 0.000 0.891 751 S CB 1.290 64.487 63.200 -0.007 0.000 1.105 751 S HN 0.422 nan 8.310 nan 0.000 0.468 752 V N 0.385 120.312 119.914 0.022 0.000 2.539 752 V HA 0.640 4.760 4.120 0.001 0.000 0.292 752 V C 0.625 176.722 176.094 0.003 0.000 1.045 752 V CA -1.009 61.301 62.300 0.015 0.000 0.945 752 V CB 0.510 32.345 31.823 0.020 0.000 0.993 752 V HN 1.063 nan 8.190 nan 0.000 0.464 753 R N 3.584 124.083 120.500 -0.001 0.000 2.440 753 R HA -0.205 4.135 4.340 0.001 0.000 0.212 753 R C 1.423 177.717 176.300 -0.011 0.000 0.722 753 R CA 1.011 57.106 56.100 -0.007 0.000 0.482 753 R CB -1.538 28.757 30.300 -0.009 0.000 1.257 753 R HN 1.760 nan 8.270 nan 0.000 0.529 754 G N -0.733 108.060 108.800 -0.011 0.000 2.659 754 G HA2 -0.303 3.658 3.960 0.001 0.000 0.212 754 G HA3 -0.303 3.658 3.960 0.001 0.000 0.212 754 G C 0.009 174.897 174.900 -0.021 0.000 1.226 754 G CA 0.165 45.254 45.100 -0.017 0.000 0.739 754 G HN 0.471 nan 8.290 nan 0.000 0.528 755 E N 1.197 121.385 120.200 -0.020 0.000 2.250 755 E HA 0.624 4.974 4.350 0.001 0.000 0.269 755 E C 0.644 177.230 176.600 -0.022 0.000 1.018 755 E CA -0.916 55.468 56.400 -0.026 0.000 0.873 755 E CB 0.942 30.627 29.700 -0.025 0.000 1.134 755 E HN 0.416 nan 8.360 nan 0.000 0.403 756 R N 0.775 121.254 120.500 -0.035 0.000 2.905 756 R HA 0.080 4.420 4.340 0.001 0.000 0.273 756 R C 0.195 176.480 176.300 -0.024 0.000 1.033 756 R CA 0.067 56.139 56.100 -0.046 0.000 1.182 756 R CB 0.101 30.356 30.300 -0.075 0.000 1.097 756 R HN 0.465 nan 8.270 nan 0.000 0.504 757 I N 2.429 122.980 120.570 -0.033 0.000 2.406 757 I HA -0.049 4.122 4.170 0.001 0.000 0.293 757 I C 0.979 177.147 176.117 0.084 0.000 1.101 757 I CA 0.697 62.035 61.300 0.063 0.000 1.334 757 I CB 0.448 38.567 38.000 0.197 0.000 1.421 757 I HN 0.557 nan 8.210 nan 0.000 0.513 758 K N 4.141 124.596 120.400 0.091 0.000 2.443 758 K HA 0.221 4.541 4.320 0.001 0.000 0.200 758 K C 0.672 177.336 176.600 0.106 0.000 1.278 758 K CA -0.337 56.000 56.287 0.084 0.000 0.925 758 K CB 0.407 32.931 32.500 0.040 0.000 1.225 758 K HN 0.351 nan 8.250 nan 0.000 0.514 759 R N 1.608 122.163 120.500 0.091 0.000 2.483 759 R HA 0.047 4.387 4.340 0.001 0.000 0.329 759 R C 0.003 176.344 176.300 0.068 0.000 0.961 759 R CA 0.914 57.052 56.100 0.063 0.000 1.041 759 R CB 0.014 30.339 30.300 0.042 0.000 0.930 759 R HN 0.431 nan 8.270 nan 0.000 0.413 760 G N 2.575 111.385 108.800 0.016 0.000 2.498 760 G HA2 -0.004 3.957 3.960 0.001 0.000 0.181 760 G HA3 -0.004 3.957 3.960 0.001 0.000 0.181 760 G C -1.423 173.400 174.900 -0.129 0.000 1.169 760 G CA -0.850 44.196 45.100 -0.091 0.000 0.992 760 G HN 0.402 nan 8.290 nan 0.000 0.490 761 Y N 0.642 120.965 120.300 0.037 0.000 2.652 761 Y HA 0.249 4.800 4.550 0.001 0.000 0.344 761 Y C 2.370 178.262 175.900 -0.015 0.000 1.254 761 Y CA 0.386 58.487 58.100 0.002 0.000 1.480 761 Y CB 0.410 38.861 38.460 -0.016 0.000 1.345 761 Y HN 0.338 nan 8.280 nan 0.000 0.617 762 M N 0.721 120.394 119.600 0.122 0.000 2.337 762 M HA -0.185 4.295 4.480 0.001 0.000 0.261 762 M C 1.437 177.710 176.300 -0.043 0.000 1.067 762 M CA 1.986 57.306 55.300 0.033 0.000 1.074 762 M CB -0.643 31.971 32.600 0.023 0.000 1.395 762 M HN 0.808 nan 8.290 nan 0.000 0.431 763 T N -1.655 112.844 114.554 -0.093 0.000 3.071 763 T HA 0.262 4.612 4.350 0.001 0.000 0.239 763 T C 0.406 175.022 174.700 -0.140 0.000 0.997 763 T CA 0.076 61.978 62.100 -0.329 0.000 1.134 763 T CB 0.253 68.845 68.868 -0.460 0.000 0.928 763 T HN 0.138 nan 8.240 nan 0.000 0.453 764 R N 0.643 121.158 120.500 0.024 0.000 2.867 764 R HA 0.711 5.052 4.340 0.001 0.000 0.268 764 R C 0.760 177.213 176.300 0.254 0.000 1.014 764 R CA -0.652 55.532 56.100 0.141 0.000 0.946 764 R CB -0.363 30.061 30.300 0.207 0.000 1.208 764 R HN -0.165 nan 8.270 nan 0.000 0.477 765 T N 0.273 115.010 114.554 0.304 0.000 2.588 765 T HA 0.008 4.359 4.350 0.001 0.000 0.261 765 T C 0.634 175.608 174.700 0.456 0.000 1.069 765 T CA 1.009 63.329 62.100 0.366 0.000 1.172 765 T CB -0.038 69.108 68.868 0.464 0.000 0.863 765 T HN 0.019 nan 8.240 nan 0.000 0.408 766 L N 1.569 123.110 121.223 0.530 0.000 2.387 766 L HA 0.326 4.667 4.340 0.001 0.000 0.266 766 L C -1.481 175.460 176.870 0.117 0.000 1.059 766 L CA -2.275 52.774 54.840 0.349 0.000 0.801 766 L CB 0.481 42.706 42.059 0.278 0.000 1.223 766 L HN 0.035 nan 8.230 nan 0.000 0.456 767 P HA -0.018 nan 4.420 nan 0.000 0.245 767 P C 0.421 177.378 177.300 -0.572 0.000 1.212 767 P CA 0.903 63.674 63.100 -0.549 0.000 0.774 767 P CB 0.125 31.412 31.700 -0.689 0.000 0.999 768 H N -1.797 117.063 119.070 -0.351 0.000 2.539 768 H HA 0.261 4.818 4.556 0.001 0.000 0.269 768 H C 0.233 175.234 175.328 -0.544 0.000 0.980 768 H CA -0.051 55.702 56.048 -0.492 0.000 1.152 768 H CB -0.485 28.892 29.762 -0.642 0.000 1.407 768 H HN 0.118 nan 8.280 nan 0.000 0.564 769 F N 1.250 121.262 119.950 0.104 0.000 2.450 769 F HA 0.325 4.852 4.527 0.001 0.000 0.332 769 F C 0.481 176.306 175.800 0.042 0.000 1.093 769 F CA -1.429 56.631 58.000 0.099 0.000 1.003 769 F CB 1.262 40.347 39.000 0.142 0.000 1.151 769 F HN -0.209 nan 8.300 nan 0.000 0.474 770 K N 2.717 123.255 120.400 0.229 0.000 2.436 770 K HA 0.123 4.444 4.320 0.001 0.000 0.275 770 K C -2.483 174.191 176.600 0.124 0.000 0.999 770 K CA -1.437 54.928 56.287 0.131 0.000 0.980 770 K CB -0.017 32.557 32.500 0.122 0.000 0.919 770 K HN 0.193 nan 8.250 nan 0.000 0.484 771 P HA -0.085 nan 4.420 nan 0.000 0.258 771 P C -1.030 176.343 177.300 0.121 0.000 1.187 771 P CA 0.524 63.629 63.100 0.008 0.000 0.767 771 P CB 0.018 31.714 31.700 -0.007 0.000 0.770 772 Y N -0.487 119.861 120.300 0.079 0.000 4.782 772 Y HA -0.195 4.355 4.550 0.001 0.000 0.249 772 Y C 0.720 176.656 175.900 0.060 0.000 1.043 772 Y CA 0.187 58.327 58.100 0.067 0.000 2.093 772 Y CB -2.238 36.258 38.460 0.059 0.000 1.576 772 Y HN 0.359 nan 8.280 nan 0.000 0.686 773 D N 1.071 121.574 120.400 0.173 0.000 2.414 773 D HA 0.416 5.057 4.640 0.001 0.000 0.242 773 D C 1.007 177.340 176.300 0.055 0.000 1.129 773 D CA 0.581 54.650 54.000 0.114 0.000 0.885 773 D CB 0.598 41.467 40.800 0.115 0.000 1.198 773 D HN 0.374 nan 8.370 nan 0.000 0.437 774 I N 0.478 121.063 120.570 0.025 0.000 4.442 774 I HA 0.004 4.174 4.170 0.001 0.000 0.331 774 I C 0.709 176.795 176.117 -0.052 0.000 1.364 774 I CA -0.335 60.956 61.300 -0.016 0.000 1.207 774 I CB 0.243 38.245 38.000 0.003 0.000 1.298 774 I HN 0.183 nan 8.210 nan 0.000 0.463 775 S N 2.157 117.834 115.700 -0.038 0.000 2.549 775 S HA 0.187 4.658 4.470 0.001 0.000 0.286 775 S C -1.485 173.069 174.600 -0.078 0.000 1.314 775 S CA -0.728 57.449 58.200 -0.038 0.000 1.062 775 S CB 0.542 63.746 63.200 0.008 0.000 0.865 775 S HN -0.084 nan 8.310 nan 0.000 0.498 776 P HA -0.245 nan 4.420 nan 0.000 0.222 776 P C 1.157 178.429 177.300 -0.045 0.000 1.157 776 P CA 1.980 65.009 63.100 -0.118 0.000 0.905 776 P CB -0.066 31.490 31.700 -0.240 0.000 0.792 777 E N -0.602 119.646 120.200 0.081 0.000 2.070 777 E HA -0.169 4.182 4.350 0.001 0.000 0.197 777 E C 2.135 178.587 176.600 -0.248 0.000 1.004 777 E CA 1.786 58.269 56.400 0.137 0.000 0.805 777 E CB -1.239 28.629 29.700 0.280 0.000 0.744 777 E HN 0.255 nan 8.360 nan 0.000 0.451 778 A N 0.403 122.870 122.820 -0.588 0.000 2.066 778 A HA -0.031 4.289 4.320 0.001 0.000 0.218 778 A C 1.546 178.680 177.584 -0.750 0.000 1.157 778 A CA 0.798 52.038 52.037 -1.328 0.000 0.670 778 A CB 0.065 18.439 19.000 -1.043 0.000 0.804 778 A HN -0.046 nan 8.150 nan 0.000 0.453 779 R N -1.373 118.791 120.500 -0.561 0.000 2.468 779 R HA 0.260 4.601 4.340 0.001 0.000 0.280 779 R C 1.009 176.908 176.300 -0.668 0.000 0.963 779 R CA 0.726 56.549 56.100 -0.460 0.000 1.083 779 R CB 0.176 30.335 30.300 -0.234 0.000 1.200 779 R HN 0.689 nan 8.270 nan 0.000 0.541 780 G N 0.692 108.799 108.800 -1.155 0.000 2.296 780 G HA2 -0.248 3.712 3.960 0.001 0.000 0.188 780 G HA3 -0.248 3.712 3.960 0.001 0.000 0.188 780 G C -0.112 174.535 174.900 -0.422 0.000 1.000 780 G CA -0.564 43.876 45.100 -1.100 0.000 0.672 780 G HN 0.274 nan 8.290 nan 0.000 0.483 781 F N 2.624 122.323 119.950 -0.419 0.000 2.543 781 F HA 0.614 5.141 4.527 0.001 0.000 0.375 781 F C 0.543 176.160 175.800 -0.304 0.000 1.075 781 F CA -0.229 57.565 58.000 -0.343 0.000 1.225 781 F CB 0.308 39.078 39.000 -0.383 0.000 1.099 781 F HN 0.051 nan 8.300 nan 0.000 0.561 782 I N 8.157 128.199 120.570 -0.881 0.000 2.362 782 I HA 0.103 4.273 4.170 0.001 0.000 0.289 782 I C -0.371 175.292 176.117 -0.757 0.000 0.994 782 I CA -0.413 60.562 61.300 -0.542 0.000 1.158 782 I CB 1.230 39.020 38.000 -0.350 0.000 1.315 782 I HN 0.687 nan 8.210 nan 0.000 0.451 783 Y N 2.808 122.970 120.300 -0.230 0.000 2.490 783 Y HA 0.004 4.554 4.550 0.001 0.000 0.285 783 Y C 1.634 177.471 175.900 -0.104 0.000 1.117 783 Y CA -0.096 57.941 58.100 -0.105 0.000 1.262 783 Y CB 0.187 38.712 38.460 0.108 0.000 1.043 783 Y HN 0.537 nan 8.280 nan 0.000 0.553 784 S N 0.032 115.756 115.700 0.041 0.000 2.646 784 S HA 0.489 4.960 4.470 0.001 0.000 0.276 784 S C 0.238 174.751 174.600 -0.146 0.000 1.222 784 S CA -0.649 57.551 58.200 0.001 0.000 1.014 784 S CB 1.608 64.838 63.200 0.050 0.000 0.991 784 S HN 0.210 nan 8.310 nan 0.000 0.533 785 S N 0.366 115.997 115.700 -0.115 0.000 2.730 785 S HA 0.486 4.956 4.470 0.001 0.000 0.284 785 S C 0.364 174.870 174.600 -0.156 0.000 1.153 785 S CA -0.914 57.173 58.200 -0.188 0.000 0.995 785 S CB -0.223 62.938 63.200 -0.064 0.000 1.058 785 S HN 0.618 nan 8.310 nan 0.000 0.552 786 F N 0.079 120.020 119.950 -0.015 0.000 2.494 786 F HA 0.019 4.547 4.527 0.001 0.000 0.298 786 F C 2.726 178.541 175.800 0.023 0.000 1.106 786 F CA 0.204 58.208 58.000 0.007 0.000 1.452 786 F CB -0.059 38.944 39.000 0.005 0.000 1.085 786 F HN 0.399 nan 8.300 nan 0.000 0.569 787 R N 0.329 120.929 120.500 0.166 0.000 2.066 787 R HA -0.008 4.332 4.340 0.001 0.000 0.224 787 R C 2.138 178.496 176.300 0.097 0.000 1.122 787 R CA 1.519 57.691 56.100 0.121 0.000 0.974 787 R CB -1.108 29.250 30.300 0.095 0.000 0.871 787 R HN 0.095 nan 8.270 nan 0.000 0.435 788 T N -0.490 114.111 114.554 0.079 0.000 2.777 788 T HA 0.102 4.452 4.350 0.001 0.000 0.266 788 T C 0.693 175.439 174.700 0.078 0.000 1.040 788 T CA 1.245 63.392 62.100 0.078 0.000 1.141 788 T CB -0.374 68.542 68.868 0.081 0.000 0.868 788 T HN 0.540 nan 8.240 nan 0.000 0.444 789 G N 0.993 109.842 108.800 0.082 0.000 3.069 789 G HA2 -0.019 3.941 3.960 0.001 0.000 0.686 789 G HA3 -0.019 3.941 3.960 0.001 0.000 0.686 789 G C -0.890 174.054 174.900 0.074 0.000 1.161 789 G CA -1.116 44.038 45.100 0.091 0.000 0.804 789 G HN 0.288 nan 8.290 nan 0.000 0.608 790 L N 1.968 123.243 121.223 0.087 0.000 2.439 790 L HA 0.279 4.619 4.340 0.001 0.000 0.269 790 L C 1.523 178.445 176.870 0.086 0.000 1.179 790 L CA 0.138 55.026 54.840 0.079 0.000 0.828 790 L CB 0.828 42.956 42.059 0.115 0.000 1.106 790 L HN 0.689 nan 8.230 nan 0.000 0.467 791 K N 3.046 123.501 120.400 0.091 0.000 2.202 791 K HA 0.056 4.376 4.320 0.001 0.000 0.238 791 K C -1.348 175.285 176.600 0.055 0.000 1.070 791 K CA -0.963 55.368 56.287 0.072 0.000 0.859 791 K CB 0.102 32.658 32.500 0.093 0.000 1.140 791 K HN 0.362 nan 8.250 nan 0.000 0.515 792 P HA -0.130 nan 4.420 nan 0.000 0.216 792 P C 0.973 178.244 177.300 -0.049 0.000 1.153 792 P CA 1.406 64.479 63.100 -0.045 0.000 0.844 792 P CB -0.037 31.578 31.700 -0.140 0.000 0.787 793 T N -2.616 111.895 114.554 -0.072 0.000 2.951 793 T HA -0.065 4.285 4.350 0.001 0.000 0.268 793 T C 1.670 176.459 174.700 0.149 0.000 1.073 793 T CA 0.960 63.042 62.100 -0.030 0.000 1.134 793 T CB -0.806 68.144 68.868 0.136 0.000 0.884 793 T HN 0.196 nan 8.240 nan 0.000 0.479 794 E N 0.464 120.818 120.200 0.257 0.000 2.152 794 E HA 0.067 4.417 4.350 0.001 0.000 0.192 794 E C 1.947 178.709 176.600 0.270 0.000 0.983 794 E CA 0.447 57.043 56.400 0.327 0.000 0.818 794 E CB -0.169 29.660 29.700 0.215 0.000 0.758 794 E HN 0.308 nan 8.360 nan 0.000 0.467 795 L N 0.127 121.474 121.223 0.208 0.000 2.141 795 L HA -0.095 4.245 4.340 0.001 0.000 0.209 795 L C 1.893 178.886 176.870 0.206 0.000 1.094 795 L CA 1.326 56.294 54.840 0.212 0.000 0.763 795 L CB -0.294 41.863 42.059 0.162 0.000 0.908 795 L HN 0.021 nan 8.230 nan 0.000 0.437 796 F N -0.481 119.461 119.950 -0.014 0.000 2.084 796 F HA -0.198 4.330 4.527 0.000 0.000 0.296 796 F C 2.136 177.917 175.800 -0.032 0.000 1.111 796 F CA 1.813 59.755 58.000 -0.097 0.000 1.224 796 F CB -0.575 38.268 39.000 -0.261 0.000 0.991 796 F HN 0.044 nan 8.300 nan 0.000 0.471 797 F N -1.184 118.937 119.950 0.286 0.000 2.202 797 F HA -0.283 4.245 4.527 0.001 0.000 0.301 797 F C 2.607 178.483 175.800 0.127 0.000 1.082 797 F CA 1.378 59.481 58.000 0.173 0.000 1.313 797 F CB -0.593 38.511 39.000 0.174 0.000 1.024 797 F HN 0.120 nan 8.300 nan 0.000 0.495 798 H N 0.345 119.534 119.070 0.199 0.000 2.395 798 H HA 0.007 4.563 4.556 0.001 0.000 0.299 798 H C 2.028 177.385 175.328 0.049 0.000 1.070 798 H CA 1.198 57.311 56.048 0.109 0.000 1.356 798 H CB -0.473 29.358 29.762 0.115 0.000 1.401 798 H HN 0.130 nan 8.280 nan 0.000 0.524 799 A N 1.350 124.116 122.820 -0.090 0.000 1.828 799 A HA -0.073 4.248 4.320 0.001 0.000 0.215 799 A C 2.730 180.210 177.584 -0.174 0.000 1.203 799 A CA 2.313 54.216 52.037 -0.223 0.000 0.614 799 A CB -1.606 17.227 19.000 -0.278 0.000 0.844 799 A HN 0.583 nan 8.150 nan 0.000 0.445 800 A N -0.880 121.819 122.820 -0.202 0.000 1.997 800 A HA -0.035 4.286 4.320 0.001 0.000 0.221 800 A C 2.340 179.910 177.584 -0.023 0.000 1.172 800 A CA 2.385 54.342 52.037 -0.133 0.000 0.645 800 A CB -1.369 17.579 19.000 -0.087 0.000 0.813 800 A HN 0.869 nan 8.150 nan 0.000 0.454 801 G N -1.135 107.689 108.800 0.041 0.000 2.396 801 G HA2 0.161 4.122 3.960 0.001 0.000 0.214 801 G HA3 0.161 4.122 3.960 0.001 0.000 0.214 801 G C 1.422 176.346 174.900 0.040 0.000 1.166 801 G CA 0.939 46.078 45.100 0.066 0.000 0.793 801 G HN 0.770 nan 8.290 nan 0.000 0.533 802 G N 0.072 108.878 108.800 0.010 0.000 2.708 802 G HA2 -0.064 3.897 3.960 0.001 0.000 0.210 802 G HA3 -0.064 3.897 3.960 0.001 0.000 0.210 802 G C 1.690 176.557 174.900 -0.055 0.000 1.141 802 G CA 0.447 45.526 45.100 -0.036 0.000 0.788 802 G HN 0.379 nan 8.290 nan 0.000 0.531 803 R N 0.300 120.766 120.500 -0.057 0.000 2.235 803 R HA 0.043 4.383 4.340 0.001 0.000 0.213 803 R C 2.246 178.525 176.300 -0.035 0.000 1.059 803 R CA 0.621 56.687 56.100 -0.057 0.000 0.997 803 R CB -0.046 30.213 30.300 -0.069 0.000 0.884 803 R HN 0.200 nan 8.270 nan 0.000 0.462 804 E N -0.559 119.629 120.200 -0.021 0.000 2.012 804 E HA -0.127 4.224 4.350 0.001 0.000 0.197 804 E C 1.975 178.565 176.600 -0.016 0.000 1.007 804 E CA 1.660 58.051 56.400 -0.014 0.000 0.816 804 E CB -1.091 28.608 29.700 -0.003 0.000 0.762 804 E HN 0.451 nan 8.360 nan 0.000 0.451 805 G N 1.926 110.718 108.800 -0.013 0.000 2.513 805 G HA2 -0.286 3.674 3.960 0.001 0.000 0.219 805 G HA3 -0.286 3.674 3.960 0.001 0.000 0.219 805 G C 1.767 176.655 174.900 -0.021 0.000 1.160 805 G CA 1.396 46.488 45.100 -0.014 0.000 0.767 805 G HN 0.207 nan 8.290 nan 0.000 0.571 806 L N 0.165 121.371 121.223 -0.027 0.000 2.042 806 L HA -0.115 4.225 4.340 0.001 0.000 0.210 806 L C 2.851 179.706 176.870 -0.025 0.000 1.076 806 L CA 0.810 55.632 54.840 -0.030 0.000 0.749 806 L CB -0.631 41.405 42.059 -0.038 0.000 0.893 806 L HN 0.142 nan 8.230 nan 0.000 0.432 807 V N -1.281 118.618 119.914 -0.025 0.000 3.129 807 V HA -0.145 3.975 4.120 0.001 0.000 0.259 807 V C 1.920 178.003 176.094 -0.019 0.000 1.116 807 V CA 1.197 63.484 62.300 -0.022 0.000 1.127 807 V CB -0.315 31.495 31.823 -0.022 0.000 0.742 807 V HN 0.409 nan 8.190 nan 0.000 0.474 808 D N 0.018 120.407 120.400 -0.018 0.000 2.240 808 D HA -0.076 4.564 4.640 0.001 0.000 0.206 808 D C 2.179 178.470 176.300 -0.016 0.000 0.963 808 D CA 1.066 55.056 54.000 -0.017 0.000 0.863 808 D CB 0.448 41.239 40.800 -0.016 0.000 0.973 808 D HN 0.323 nan 8.370 nan 0.000 0.501 809 T N 0.539 115.083 114.554 -0.017 0.000 2.720 809 T HA -0.145 4.206 4.350 0.001 0.000 0.268 809 T C 1.878 176.570 174.700 -0.014 0.000 1.037 809 T CA 1.489 63.579 62.100 -0.016 0.000 1.144 809 T CB -0.111 68.746 68.868 -0.018 0.000 0.864 809 T HN 0.190 nan 8.240 nan 0.000 0.444 810 A N 0.938 123.750 122.820 -0.014 0.000 1.835 810 A HA 0.021 4.342 4.320 0.001 0.000 0.215 810 A C 1.241 178.820 177.584 -0.008 0.000 1.199 810 A CA 1.103 53.133 52.037 -0.011 0.000 0.615 810 A CB -0.537 18.456 19.000 -0.012 0.000 0.838 810 A HN 0.347 nan 8.150 nan 0.000 0.444 811 V N -0.191 119.716 119.914 -0.012 0.000 2.288 811 V HA 0.616 4.736 4.120 0.001 0.000 0.266 811 V C 0.613 176.699 176.094 -0.014 0.000 1.048 811 V CA 0.376 62.669 62.300 -0.012 0.000 0.842 811 V CB 0.200 32.013 31.823 -0.016 0.000 1.064 811 V HN 0.678 nan 8.190 nan 0.000 0.472 812 R N 1.880 122.374 120.500 -0.010 0.000 2.535 812 R HA -0.029 4.312 4.340 0.001 0.000 0.050 812 R C 1.818 178.116 176.300 -0.002 0.000 0.816 812 R CA 0.801 56.895 56.100 -0.011 0.000 2.949 812 R CB -0.106 30.185 30.300 -0.015 0.000 1.256 812 R HN 0.524 nan 8.270 nan 0.000 0.520 813 T N 0.992 115.547 114.554 0.002 0.000 2.720 813 T HA -0.157 4.193 4.350 0.001 0.000 0.268 813 T C 1.486 176.206 174.700 0.034 0.000 1.037 813 T CA 2.126 64.234 62.100 0.013 0.000 1.144 813 T CB -0.278 68.596 68.868 0.009 0.000 0.864 813 T HN 0.386 nan 8.240 nan 0.000 0.444 814 S N 1.819 117.537 115.700 0.030 0.000 2.390 814 S HA -0.297 4.173 4.470 0.001 0.000 0.234 814 S C 2.055 176.702 174.600 0.077 0.000 1.063 814 S CA 1.713 59.942 58.200 0.049 0.000 1.108 814 S CB -0.494 62.716 63.200 0.017 0.000 0.975 814 S HN 0.623 nan 8.310 nan 0.000 0.442 815 Q N -0.135 119.680 119.800 0.025 0.000 2.259 815 Q HA 0.222 4.563 4.340 0.001 0.000 0.201 815 Q C 2.446 178.483 176.000 0.063 0.000 0.938 815 Q CA 0.782 56.579 55.803 -0.009 0.000 0.872 815 Q CB -0.138 28.557 28.738 -0.072 0.000 0.971 815 Q HN 0.450 nan 8.270 nan 0.000 0.494 816 S N 0.042 115.771 115.700 0.049 0.000 2.377 816 S HA -0.040 4.431 4.470 0.001 0.000 0.223 816 S C 1.895 176.537 174.600 0.070 0.000 1.030 816 S CA 1.114 59.341 58.200 0.046 0.000 0.970 816 S CB -0.391 62.819 63.200 0.016 0.000 0.830 816 S HN 0.538 nan 8.310 nan 0.000 0.473 817 G N -1.003 107.840 108.800 0.072 0.000 2.509 817 G HA2 -0.149 3.812 3.960 0.001 0.000 0.218 817 G HA3 -0.149 3.812 3.960 0.001 0.000 0.218 817 G C 1.167 176.122 174.900 0.092 0.000 1.124 817 G CA 0.542 45.681 45.100 0.064 0.000 0.776 817 G HN 0.638 nan 8.290 nan 0.000 0.547 818 Y N -0.020 120.278 120.300 -0.003 0.000 2.286 818 Y HA 0.161 4.711 4.550 0.001 0.000 0.293 818 Y C 2.689 178.588 175.900 -0.002 0.000 1.124 818 Y CA 1.274 59.373 58.100 -0.002 0.000 1.178 818 Y CB 0.082 38.539 38.460 -0.004 0.000 1.010 818 Y HN 0.179 nan 8.280 nan 0.000 0.536 819 M N 0.041 119.800 119.600 0.265 0.000 2.229 819 M HA -0.216 4.264 4.480 0.001 0.000 0.264 819 M C 2.148 178.502 176.300 0.090 0.000 1.063 819 M CA 1.766 57.160 55.300 0.157 0.000 1.114 819 M CB -0.062 32.592 32.600 0.089 0.000 1.387 819 M HN 0.341 nan 8.290 nan 0.000 0.420 820 Q N 0.786 120.628 119.800 0.069 0.000 2.045 820 Q HA -0.257 4.084 4.340 0.001 0.000 0.206 820 Q C 2.057 178.070 176.000 0.021 0.000 0.991 820 Q CA 2.458 58.285 55.803 0.039 0.000 0.851 820 Q CB -0.334 28.423 28.738 0.031 0.000 0.911 820 Q HN 0.509 nan 8.270 nan 0.000 0.418 821 R N -0.574 119.924 120.500 -0.004 0.000 2.120 821 R HA -0.063 4.277 4.340 0.001 0.000 0.234 821 R C 2.158 178.440 176.300 -0.030 0.000 1.123 821 R CA 1.246 57.319 56.100 -0.046 0.000 0.975 821 R CB 0.004 30.226 30.300 -0.131 0.000 0.866 821 R HN 0.195 nan 8.270 nan 0.000 0.446 822 R N -0.012 120.493 120.500 0.009 0.000 2.148 822 R HA -0.080 4.261 4.340 0.001 0.000 0.223 822 R C 1.720 178.034 176.300 0.025 0.000 1.088 822 R CA 1.079 57.197 56.100 0.029 0.000 0.985 822 R CB 0.062 30.416 30.300 0.090 0.000 0.880 822 R HN 0.235 nan 8.270 nan 0.000 0.451 823 L N -2.803 118.436 121.223 0.027 0.000 2.537 823 L HA 0.229 4.570 4.340 0.001 0.000 0.224 823 L C 1.771 178.653 176.870 0.019 0.000 1.065 823 L CA 0.786 55.642 54.840 0.025 0.000 0.860 823 L CB -0.445 41.633 42.059 0.032 0.000 1.086 823 L HN -0.112 nan 8.230 nan 0.000 0.482 824 I N 0.556 121.135 120.570 0.014 0.000 2.916 824 I HA -0.137 4.034 4.170 0.001 0.000 0.267 824 I C 1.875 177.992 176.117 0.001 0.000 1.263 824 I CA 0.846 62.151 61.300 0.009 0.000 1.471 824 I CB -0.045 37.960 38.000 0.008 0.000 1.089 824 I HN 0.438 nan 8.210 nan 0.000 0.468 825 N N 0.042 118.740 118.700 -0.004 0.000 2.436 825 N HA 0.073 4.813 4.740 0.001 0.000 0.178 825 N C 1.841 177.352 175.510 0.001 0.000 1.026 825 N CA 0.975 54.020 53.050 -0.008 0.000 0.880 825 N CB 0.153 38.626 38.487 -0.023 0.000 1.061 825 N HN 0.252 nan 8.380 nan 0.000 0.434 826 A N 0.606 123.430 122.820 0.006 0.000 2.067 826 A HA 0.023 4.343 4.320 0.001 0.000 0.219 826 A C 1.720 179.317 177.584 0.021 0.000 1.158 826 A CA 0.997 53.041 52.037 0.013 0.000 0.661 826 A CB -0.129 18.881 19.000 0.015 0.000 0.801 826 A HN 0.131 nan 8.150 nan 0.000 0.452 827 L N -0.149 121.086 121.223 0.020 0.000 2.728 827 L HA 0.082 4.422 4.340 0.001 0.000 0.238 827 L C 2.209 179.086 176.870 0.012 0.000 1.143 827 L CA 0.885 55.738 54.840 0.022 0.000 0.937 827 L CB 0.360 42.435 42.059 0.027 0.000 1.225 827 L HN 0.427 nan 8.230 nan 0.000 0.507 828 S N -1.676 114.028 115.700 0.008 0.000 2.442 828 S HA -0.126 4.344 4.470 0.001 0.000 0.236 828 S C 1.187 175.776 174.600 -0.018 0.000 1.007 828 S CA 1.271 59.468 58.200 -0.005 0.000 0.965 828 S CB -0.159 63.038 63.200 -0.006 0.000 0.773 828 S HN 0.358 nan 8.310 nan 0.000 0.504 829 D N 0.998 121.393 120.400 -0.008 0.000 2.369 829 D HA 0.299 4.939 4.640 0.001 0.000 0.211 829 D C -0.204 176.077 176.300 -0.032 0.000 1.077 829 D CA 0.015 53.997 54.000 -0.031 0.000 0.842 829 D CB 0.085 40.880 40.800 -0.007 0.000 0.947 829 D HN 0.438 nan 8.370 nan 0.000 0.509 830 L N 1.793 123.004 121.223 -0.020 0.000 2.278 830 L HA 0.400 4.740 4.340 0.001 0.000 0.287 830 L C 0.643 177.476 176.870 -0.062 0.000 1.072 830 L CA -0.494 54.331 54.840 -0.025 0.000 0.819 830 L CB 0.556 42.613 42.059 -0.005 0.000 1.176 830 L HN -0.144 nan 8.230 nan 0.000 0.435 831 R N 2.992 123.445 120.500 -0.079 0.000 2.888 831 R HA 0.886 5.226 4.340 0.001 0.000 0.266 831 R C -1.047 175.172 176.300 -0.136 0.000 1.020 831 R CA -0.837 55.191 56.100 -0.120 0.000 0.963 831 R CB 1.648 31.872 30.300 -0.126 0.000 1.197 831 R HN 0.493 nan 8.270 nan 0.000 0.481 832 A N 2.302 125.010 122.820 -0.186 0.000 2.302 832 A HA 0.299 4.620 4.320 0.001 0.000 0.295 832 A C -0.371 177.097 177.584 -0.192 0.000 1.235 832 A CA -0.692 51.236 52.037 -0.183 0.000 0.876 832 A CB 0.225 19.086 19.000 -0.232 0.000 1.133 832 A HN 0.714 nan 8.150 nan 0.000 0.533 833 E N 1.324 121.444 120.200 -0.132 0.000 2.342 833 E HA 0.115 4.465 4.350 0.001 0.000 0.257 833 E C 0.047 176.571 176.600 -0.127 0.000 1.150 833 E CA -0.244 56.067 56.400 -0.147 0.000 0.926 833 E CB 0.153 29.832 29.700 -0.035 0.000 1.074 833 E HN 0.666 nan 8.360 nan 0.000 0.449 834 Y N 0.904 121.202 120.300 -0.004 0.000 2.403 834 Y HA -0.162 4.388 4.550 0.001 0.000 0.291 834 Y C 1.560 177.467 175.900 0.011 0.000 1.143 834 Y CA 1.589 59.688 58.100 -0.001 0.000 1.257 834 Y CB -0.038 38.419 38.460 -0.004 0.000 0.984 834 Y HN 0.424 nan 8.280 nan 0.000 0.550 835 D N -1.971 118.519 120.400 0.150 0.000 2.358 835 D HA 0.184 4.824 4.640 0.001 0.000 0.224 835 D C 1.785 178.137 176.300 0.086 0.000 1.123 835 D CA 0.631 54.696 54.000 0.107 0.000 0.833 835 D CB -0.125 40.729 40.800 0.090 0.000 0.946 835 D HN 0.318 nan 8.370 nan 0.000 0.505 836 G N 0.087 108.937 108.800 0.083 0.000 2.253 836 G HA2 -0.312 3.649 3.960 0.001 0.000 0.251 836 G HA3 -0.312 3.649 3.960 0.001 0.000 0.251 836 G C 0.655 175.617 174.900 0.102 0.000 0.998 836 G CA 0.493 45.650 45.100 0.096 0.000 0.621 836 G HN 0.494 nan 8.290 nan 0.000 0.524 837 T N 0.169 114.769 114.554 0.076 0.000 2.734 837 T HA 0.455 4.806 4.350 0.001 0.000 0.314 837 T C 0.229 174.962 174.700 0.056 0.000 1.057 837 T CA 0.493 62.636 62.100 0.072 0.000 1.047 837 T CB 2.201 71.102 68.868 0.056 0.000 0.991 837 T HN 0.677 nan 8.240 nan 0.000 0.540 838 V N 2.079 122.029 119.914 0.060 0.000 2.483 838 V HA 0.497 4.618 4.120 0.001 0.000 0.297 838 V C -0.154 175.957 176.094 0.028 0.000 1.027 838 V CA -0.766 61.550 62.300 0.026 0.000 0.855 838 V CB 1.604 33.454 31.823 0.045 0.000 0.995 838 V HN 0.703 nan 8.190 nan 0.000 0.424 839 R N 2.285 122.788 120.500 0.005 0.000 2.750 839 R HA 0.632 4.973 4.340 0.001 0.000 0.281 839 R C -0.112 176.193 176.300 0.009 0.000 0.972 839 R CA -0.604 55.507 56.100 0.019 0.000 0.912 839 R CB 2.334 32.646 30.300 0.020 0.000 1.187 839 R HN 0.801 nan 8.270 nan 0.000 0.464 840 S N 1.182 116.905 115.700 0.038 0.000 2.589 840 S HA 0.100 4.571 4.470 0.001 0.000 0.265 840 S C 1.065 175.662 174.600 -0.004 0.000 1.342 840 S CA -0.594 57.631 58.200 0.043 0.000 1.005 840 S CB 0.520 63.800 63.200 0.133 0.000 0.909 840 S HN 0.631 nan 8.310 nan 0.000 0.555 841 L N 1.089 122.247 121.223 -0.108 0.000 2.700 841 L HA 0.029 4.370 4.340 0.001 0.000 0.240 841 L C 0.654 177.333 176.870 -0.317 0.000 1.162 841 L CA 0.590 55.296 54.840 -0.223 0.000 0.874 841 L CB -0.549 41.333 42.059 -0.295 0.000 1.001 841 L HN 0.759 nan 8.230 nan 0.000 0.447 842 Y N -1.125 119.171 120.300 -0.007 0.000 2.481 842 Y HA 0.268 4.818 4.550 0.001 0.000 0.258 842 Y C 1.827 177.728 175.900 0.001 0.000 1.103 842 Y CA 0.340 58.438 58.100 -0.004 0.000 1.287 842 Y CB 0.583 39.038 38.460 -0.008 0.000 1.108 842 Y HN 0.115 nan 8.280 nan 0.000 0.529 843 G N 0.578 109.452 108.800 0.124 0.000 2.141 843 G HA2 -0.200 3.760 3.960 0.001 0.000 0.164 843 G HA3 -0.200 3.760 3.960 0.001 0.000 0.164 843 G C -0.398 174.550 174.900 0.079 0.000 1.009 843 G CA -0.503 44.645 45.100 0.080 0.000 0.677 843 G HN 0.320 nan 8.290 nan 0.000 0.508 844 E N 0.055 120.311 120.200 0.093 0.000 2.283 844 E HA 0.452 4.802 4.350 0.001 0.000 0.278 844 E C 0.134 176.770 176.600 0.059 0.000 1.027 844 E CA -0.707 55.736 56.400 0.072 0.000 0.843 844 E CB 2.270 32.014 29.700 0.073 0.000 1.062 844 E HN 0.065 nan 8.360 nan 0.000 0.401 845 V N 5.140 125.085 119.914 0.052 0.000 2.356 845 V HA 0.004 4.125 4.120 0.001 0.000 0.258 845 V C 0.721 176.847 176.094 0.052 0.000 1.065 845 V CA 0.274 62.604 62.300 0.050 0.000 0.935 845 V CB 0.175 32.027 31.823 0.048 0.000 1.061 845 V HN 0.681 nan 8.190 nan 0.000 0.484 846 I N 2.914 123.517 120.570 0.055 0.000 2.585 846 I HA 0.069 4.239 4.170 0.001 0.000 0.254 846 I C 1.157 177.314 176.117 0.067 0.000 1.129 846 I CA 1.144 62.480 61.300 0.059 0.000 1.455 846 I CB 0.189 38.225 38.000 0.059 0.000 1.111 846 I HN 0.569 nan 8.210 nan 0.000 0.433 847 Q N 0.583 120.429 119.800 0.076 0.000 2.444 847 Q HA 0.321 4.661 4.340 0.001 0.000 0.251 847 Q C -1.141 174.911 176.000 0.087 0.000 0.939 847 Q CA -0.336 55.522 55.803 0.091 0.000 0.740 847 Q CB 2.552 31.373 28.738 0.139 0.000 1.308 847 Q HN -0.092 nan 8.270 nan 0.000 0.461 848 V N 1.993 121.948 119.914 0.070 0.000 2.324 848 V HA 0.330 4.451 4.120 0.001 0.000 0.244 848 V C 0.314 176.450 176.094 0.070 0.000 1.144 848 V CA 0.442 62.781 62.300 0.064 0.000 1.158 848 V CB -0.602 31.252 31.823 0.051 0.000 1.254 848 V HN 0.865 nan 8.190 nan 0.000 0.492 849 A N 4.480 127.355 122.820 0.091 0.000 2.420 849 A HA -0.116 4.204 4.320 0.001 0.000 0.654 849 A C -0.464 177.199 177.584 0.131 0.000 0.315 849 A CA -0.714 51.383 52.037 0.100 0.000 0.217 849 A CB -1.765 17.272 19.000 0.062 0.000 3.771 849 A HN 1.302 nan 8.150 nan 0.000 0.525 850 Y N 2.271 122.601 120.300 0.051 0.000 2.721 850 Y HA 0.351 4.901 4.550 0.001 0.000 0.329 850 Y C 1.361 177.297 175.900 0.060 0.000 1.211 850 Y CA 1.321 59.456 58.100 0.059 0.000 1.512 850 Y CB 0.340 38.846 38.460 0.076 0.000 1.249 850 Y HN 2.441 nan 8.280 nan 0.000 0.549 851 G N 6.235 114.777 108.800 -0.431 0.000 2.424 851 G HA2 -0.352 3.608 3.960 0.001 0.000 0.294 851 G HA3 -0.352 3.608 3.960 0.001 0.000 0.294 851 G C 0.474 175.234 174.900 -0.234 0.000 0.939 851 G CA 0.760 45.584 45.100 -0.459 0.000 1.143 851 G HN 0.992 nan 8.290 nan 0.000 0.507 852 D N -0.686 119.653 120.400 -0.102 0.000 4.429 852 D HA -0.243 4.397 4.640 0.001 0.000 0.235 852 D C 1.266 177.549 176.300 -0.028 0.000 1.091 852 D CA 2.177 56.151 54.000 -0.043 0.000 2.197 852 D CB -1.246 39.531 40.800 -0.039 0.000 1.181 852 D HN 0.449 nan 8.370 nan 0.000 0.415 853 D N 0.113 120.483 120.400 -0.049 0.000 2.133 853 D HA -0.012 4.628 4.640 0.001 0.000 0.195 853 D C 2.040 178.357 176.300 0.028 0.000 0.997 853 D CA 3.267 57.261 54.000 -0.010 0.000 0.840 853 D CB -0.603 40.186 40.800 -0.019 0.000 0.947 853 D HN 0.657 nan 8.370 nan 0.000 0.452 854 G N -1.072 107.744 108.800 0.027 0.000 2.299 854 G HA2 -0.308 3.652 3.960 0.001 0.000 0.237 854 G HA3 -0.308 3.652 3.960 0.001 0.000 0.237 854 G C 0.421 175.450 174.900 0.215 0.000 1.027 854 G CA 0.412 45.595 45.100 0.138 0.000 0.619 854 G HN 0.362 nan 8.290 nan 0.000 0.513 855 V N 1.848 121.847 119.914 0.142 0.000 2.572 855 V HA 0.505 4.625 4.120 0.001 0.000 0.291 855 V C 0.523 176.785 176.094 0.281 0.000 1.039 855 V CA -0.169 62.257 62.300 0.210 0.000 1.055 855 V CB 1.101 33.009 31.823 0.142 0.000 0.969 855 V HN 0.401 nan 8.190 nan 0.000 0.482 856 F N 8.196 128.301 119.950 0.259 0.000 2.420 856 F HA 0.397 4.924 4.527 0.001 0.000 0.352 856 F C -0.887 174.958 175.800 0.076 0.000 1.108 856 F CA -2.008 56.143 58.000 0.252 0.000 1.162 856 F CB 1.554 40.692 39.000 0.231 0.000 1.118 856 F HN 0.409 nan 8.300 nan 0.000 0.510 857 P HA -0.337 nan 4.420 nan 0.000 0.216 857 P C 1.847 178.912 177.300 -0.392 0.000 1.167 857 P CA 2.049 64.884 63.100 -0.441 0.000 0.914 857 P CB -0.126 31.247 31.700 -0.546 0.000 0.793 858 M N -1.516 117.715 119.600 -0.616 0.000 2.213 858 M HA -0.168 4.312 4.480 0.001 0.000 0.263 858 M C 1.441 177.643 176.300 -0.162 0.000 1.062 858 M CA 1.805 56.874 55.300 -0.385 0.000 1.105 858 M CB -0.408 31.980 32.600 -0.354 0.000 1.385 858 M HN -0.080 nan 8.290 nan 0.000 0.417 859 Y N 0.238 120.635 120.300 0.162 0.000 2.462 859 Y HA 0.121 4.671 4.550 0.001 0.000 0.293 859 Y C 1.240 177.197 175.900 0.095 0.000 1.195 859 Y CA -0.564 57.621 58.100 0.141 0.000 1.276 859 Y CB -0.091 38.484 38.460 0.191 0.000 1.082 859 Y HN 0.281 nan 8.280 nan 0.000 0.514 860 S N -1.224 114.564 115.700 0.146 0.000 2.874 860 S HA 0.791 5.261 4.470 0.001 0.000 0.318 860 S C 0.881 175.510 174.600 0.049 0.000 1.109 860 S CA -0.299 57.968 58.200 0.111 0.000 0.878 860 S CB 1.214 64.470 63.200 0.093 0.000 1.307 860 S HN 0.036 nan 8.310 nan 0.000 0.592 861 A N -0.249 122.605 122.820 0.056 0.000 1.896 861 A HA 0.322 4.642 4.320 0.001 0.000 0.213 861 A C 1.680 179.179 177.584 -0.141 0.000 1.306 861 A CA 0.757 52.785 52.037 -0.014 0.000 0.626 861 A CB -0.839 18.277 19.000 0.194 0.000 0.994 861 A HN 0.920 nan 8.150 nan 0.000 0.475 862 H N -2.409 116.716 119.070 0.091 0.000 1.719 862 H HA 0.180 4.737 4.556 0.001 0.000 0.154 862 H C 0.970 176.326 175.328 0.047 0.000 1.014 862 H CA 0.220 56.310 56.048 0.069 0.000 1.028 862 H CB -0.113 29.697 29.762 0.079 0.000 0.866 862 H HN 0.509 nan 8.280 nan 0.000 0.314 863 G N 1.874 110.801 108.800 0.211 0.000 2.434 863 G HA2 0.374 4.335 3.960 0.001 0.000 0.330 863 G HA3 0.374 4.335 3.960 0.001 0.000 0.330 863 G C -0.384 174.585 174.900 0.114 0.000 1.155 863 G CA -0.725 44.448 45.100 0.121 0.000 0.917 863 G HN 0.205 nan 8.290 nan 0.000 0.493 864 K N 0.471 120.922 120.400 0.085 0.000 2.319 864 K HA 0.302 4.623 4.320 0.001 0.000 0.277 864 K C -0.606 176.048 176.600 0.091 0.000 1.111 864 K CA 0.234 56.573 56.287 0.087 0.000 1.093 864 K CB -0.584 31.957 32.500 0.067 0.000 0.910 864 K HN 0.406 nan 8.250 nan 0.000 0.452 865 T N 0.744 115.365 114.554 0.112 0.000 2.058 865 T HA -0.128 4.223 4.350 0.001 0.000 0.581 865 T C -0.079 174.681 174.700 0.101 0.000 0.892 865 T CA 0.045 62.208 62.100 0.104 0.000 3.090 865 T CB -1.155 67.758 68.868 0.074 0.000 1.855 865 T HN 0.471 nan 8.240 nan 0.000 0.478 866 V N 4.637 124.629 119.914 0.130 0.000 2.377 866 V HA 0.022 4.142 4.120 0.001 0.000 0.254 866 V C 1.798 177.909 176.094 0.028 0.000 1.060 866 V CA 0.030 62.392 62.300 0.102 0.000 1.068 866 V CB 0.577 32.502 31.823 0.170 0.000 1.113 866 V HN 0.830 nan 8.190 nan 0.000 0.484 867 D N 3.727 124.144 120.400 0.028 0.000 2.133 867 D HA -0.152 4.488 4.640 0.001 0.000 0.195 867 D C 1.819 178.121 176.300 0.002 0.000 0.997 867 D CA 1.377 55.388 54.000 0.018 0.000 0.840 867 D CB -0.007 40.806 40.800 0.022 0.000 0.947 867 D HN 0.545 nan 8.370 nan 0.000 0.452 868 V N 0.535 120.431 119.914 -0.029 0.000 3.590 868 V HA -0.022 4.098 4.120 0.001 0.000 0.272 868 V C 1.549 177.527 176.094 -0.193 0.000 1.233 868 V CA 0.740 62.989 62.300 -0.085 0.000 1.182 868 V CB -0.911 30.824 31.823 -0.146 0.000 0.901 868 V HN 0.033 nan 8.190 nan 0.000 0.485 869 N N 1.014 119.625 118.700 -0.147 0.000 2.571 869 N HA 0.054 4.794 4.740 0.001 0.000 0.195 869 N C 1.864 177.328 175.510 -0.077 0.000 1.040 869 N CA 0.610 53.511 53.050 -0.249 0.000 0.890 869 N CB 0.056 38.237 38.487 -0.509 0.000 1.233 869 N HN 0.218 nan 8.380 nan 0.000 0.435 870 R N 0.412 120.891 120.500 -0.035 0.000 2.091 870 R HA 0.022 4.363 4.340 0.001 0.000 0.238 870 R C 2.016 178.361 176.300 0.075 0.000 1.136 870 R CA 1.196 57.306 56.100 0.016 0.000 0.959 870 R CB -0.475 29.835 30.300 0.016 0.000 0.856 870 R HN 0.328 nan 8.270 nan 0.000 0.437 871 I N 0.024 120.665 120.570 0.118 0.000 3.010 871 I HA -0.196 3.974 4.170 0.001 0.000 0.271 871 I C 0.489 176.737 176.117 0.217 0.000 1.293 871 I CA 1.028 62.417 61.300 0.149 0.000 1.452 871 I CB 0.153 38.243 38.000 0.150 0.000 1.082 871 I HN 0.086 nan 8.210 nan 0.000 0.484 872 F N 0.223 120.150 119.950 -0.038 0.000 2.731 872 F HA 0.168 4.695 4.527 0.001 0.000 0.298 872 F C 2.177 177.974 175.800 -0.006 0.000 1.106 872 F CA 0.200 58.189 58.000 -0.019 0.000 1.329 872 F CB -0.070 38.892 39.000 -0.063 0.000 1.100 872 F HN 0.050 nan 8.300 nan 0.000 0.592 873 E N -0.334 119.946 120.200 0.134 0.000 2.051 873 E HA -0.055 4.296 4.350 0.001 0.000 0.189 873 E C 2.046 178.724 176.600 0.129 0.000 0.979 873 E CA 0.644 57.109 56.400 0.109 0.000 0.803 873 E CB 0.254 29.994 29.700 0.068 0.000 0.761 873 E HN 0.101 nan 8.360 nan 0.000 0.451 874 R N 0.070 120.625 120.500 0.090 0.000 2.164 874 R HA 0.144 4.484 4.340 0.001 0.000 0.198 874 R C 1.558 177.879 176.300 0.036 0.000 1.028 874 R CA 0.307 56.446 56.100 0.064 0.000 1.083 874 R CB -0.173 30.125 30.300 -0.002 0.000 1.026 874 R HN 0.002 nan 8.270 nan 0.000 0.514 875 V N 0.062 119.983 119.914 0.012 0.000 4.089 875 V HA 0.030 4.150 4.120 0.001 0.000 0.267 875 V C 2.122 178.268 176.094 0.087 0.000 0.997 875 V CA 0.193 62.500 62.300 0.011 0.000 0.788 875 V CB 0.014 31.804 31.823 -0.055 0.000 1.175 875 V HN 0.087 nan 8.190 nan 0.000 0.383 876 V N 0.283 120.159 119.914 -0.063 0.000 0.617 876 V HA -0.364 3.757 4.120 0.001 0.000 0.076 876 V C 1.868 177.984 176.094 0.037 0.000 2.512 876 V CA 2.544 64.703 62.300 -0.237 0.000 3.618 876 V CB -1.485 29.790 31.823 -0.914 0.000 1.104 876 V HN 1.215 nan 8.190 nan 0.000 1.046 877 G N -2.852 106.062 108.800 0.189 0.000 2.615 877 G HA2 -0.219 3.741 3.960 0.001 0.000 0.213 877 G HA3 -0.219 3.741 3.960 0.001 0.000 0.213 877 G C 0.830 175.576 174.900 -0.256 0.000 1.135 877 G CA 0.958 46.065 45.100 0.012 0.000 0.772 877 G HN 0.771 nan 8.290 nan 0.000 0.542 878 W N -0.662 120.611 121.300 -0.045 0.000 2.324 878 W HA 0.345 5.006 4.660 0.001 0.000 0.316 878 W C 0.491 176.973 176.519 -0.061 0.000 0.927 878 W CA -0.377 56.944 57.345 -0.040 0.000 1.438 878 W CB 0.934 30.369 29.460 -0.041 0.000 1.085 878 W HN 0.065 nan 8.180 nan 0.000 0.532 879 K N 0.000 120.435 120.400 0.058 0.000 2.780 879 K HA 0.000 4.320 4.320 0.001 0.000 0.191 879 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 879 K CB 0.000 32.436 32.500 -0.107 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543